smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C[C@@H](c2ccccc2)CC12CC[NH+](CC(=O)[O-])CC2 ZINC000095519559 185002421 /nfs/dbraw/zinc/00/24/21/185002421.db2.gz UCOCJIDVHJOHOF-HNNXBMFYSA-N 0 3 288.391 2.025 10 0 CEAEHN CCOC(CN1CCC[C@@H]1Cn1ccnc1C)OCC ZINC000124564786 187143908 /nfs/dbraw/zinc/14/39/08/187143908.db2.gz BNUNQGWVUNUSOY-CQSZACIVSA-N 0 3 281.400 2.055 10 0 CEAEHN COc1cccc(-n2ncc(CNC3CC3)c2C)c1 ZINC000082661342 178148952 /nfs/dbraw/zinc/14/89/52/178148952.db2.gz SJYXCECZSSMBII-UHFFFAOYSA-N 0 3 257.337 2.441 10 0 CEAEHN Cc1cc(Cl)ccc1NC(=O)C1(N)CCOCC1 ZINC000127726521 187328835 /nfs/dbraw/zinc/32/88/35/187328835.db2.gz ZMBPUYSPFKYTCA-UHFFFAOYSA-N 0 3 268.744 2.095 10 0 CEAEHN Cn1ccc(CNC(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000124903274 187160072 /nfs/dbraw/zinc/16/00/72/187160072.db2.gz GYUCCLKJMGUIMF-UHFFFAOYSA-N 0 3 281.400 2.418 10 0 CEAEHN CCCC(=O)OC[C@@H](O)CN(Cc1ccccc1)C1CC1 ZINC000036031327 361824898 /nfs/dbraw/zinc/82/48/98/361824898.db2.gz ZYEBTNHZMWTBOI-INIZCTEOSA-N 0 3 291.391 2.355 10 0 CEAEHN Cc1cccc(C)c1CNCCC(=O)N1CCCC1 ZINC000096811077 185115124 /nfs/dbraw/zinc/11/51/24/185115124.db2.gz QWNAZPYTQZXMJA-UHFFFAOYSA-N 0 3 260.381 2.406 10 0 CEAEHN CC(C)(C)OC(=O)N1Cc2sccc2[C@@H](N)C1 ZINC000096958593 185142919 /nfs/dbraw/zinc/14/29/19/185142919.db2.gz IZCIRLRIZXUCCD-VIFPVBQESA-N 0 3 254.355 2.499 10 0 CEAEHN O=C1C(CNCc2ccccc2)=CC2=CC=C[C@H]3CCN1[C@@H]23 ZINC000039287456 361987568 /nfs/dbraw/zinc/98/75/68/361987568.db2.gz XBTUVTRHDJGMFX-MAUKXSAKSA-N 0 3 292.382 2.430 10 0 CEAEHN C[C@@H](c1cnn(CC2CCC2)c1)N1CC[C@@H](CO)C1 ZINC000725264341 539212810 /nfs/dbraw/zinc/21/28/10/539212810.db2.gz HXRXJKPHYNCFRU-GXTWGEPZSA-N 0 3 263.385 2.058 10 0 CEAEHN CC(C)(C)OC(=O)[C@](C)(CN)c1ccc(F)cc1 ZINC000725265190 539213030 /nfs/dbraw/zinc/21/30/30/539213030.db2.gz MRCNADRLTZQMGH-CQSZACIVSA-N 0 3 253.317 2.384 10 0 CEAEHN Cn1ccnc1[C@H](NC[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000127696893 539249199 /nfs/dbraw/zinc/24/91/99/539249199.db2.gz JBOFXTJDPLIBJR-MELADBBJSA-N 0 3 263.385 2.012 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1Cc1cc(OC)ns1 ZINC000399013695 539263233 /nfs/dbraw/zinc/26/32/33/539263233.db2.gz BFCFSXZUSITCOW-NWDGAFQWSA-N 0 3 281.425 2.210 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1Cc1cc(OC)ns1 ZINC000399013696 539263297 /nfs/dbraw/zinc/26/32/97/539263297.db2.gz BFCFSXZUSITCOW-RYUDHWBXSA-N 0 3 281.425 2.210 10 0 CEAEHN C[C@H](NC(=O)C(C)(C)N)c1ccc(Br)cc1 ZINC000040925513 362010748 /nfs/dbraw/zinc/01/07/48/362010748.db2.gz WTIYNUVPFHNWNA-QMMMGPOBSA-N 0 3 285.185 2.364 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000037006029 343424875 /nfs/dbraw/zinc/42/48/75/343424875.db2.gz ZRRQLAHPNRWYPJ-QPUJVOFHSA-N 0 3 298.770 2.439 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000170858813 282263508 /nfs/dbraw/zinc/26/35/08/282263508.db2.gz RSTOVIVHMNHGGW-LBPRGKRZSA-N 0 3 278.421 2.403 10 0 CEAEHN O=C(Nc1ccnc2[nH]ccc21)c1ccc2c(c1)CCNC2 ZINC000038304188 343434415 /nfs/dbraw/zinc/43/44/15/343434415.db2.gz QTBCLYZNYUHDBS-UHFFFAOYSA-N 0 3 292.342 2.461 10 0 CEAEHN CN(C)[C@H]1CCN(c2nnc(-c3ccccc3)s2)C1 ZINC000170844083 282264573 /nfs/dbraw/zinc/26/45/73/282264573.db2.gz ZSKSNAJPTBDUOI-LBPRGKRZSA-N 0 3 274.393 2.345 10 0 CEAEHN C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000004077113 539321575 /nfs/dbraw/zinc/32/15/75/539321575.db2.gz BVMKOCVADNIHAQ-NSHDSACASA-N 0 3 257.341 2.241 10 0 CEAEHN C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000004077113 539321576 /nfs/dbraw/zinc/32/15/76/539321576.db2.gz BVMKOCVADNIHAQ-NSHDSACASA-N 0 3 257.341 2.241 10 0 CEAEHN C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000004077113 539321577 /nfs/dbraw/zinc/32/15/77/539321577.db2.gz BVMKOCVADNIHAQ-NSHDSACASA-N 0 3 257.341 2.241 10 0 CEAEHN C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000004077113 539321578 /nfs/dbraw/zinc/32/15/78/539321578.db2.gz BVMKOCVADNIHAQ-NSHDSACASA-N 0 3 257.341 2.241 10 0 CEAEHN Cc1cc(C)c(CN2CCO[C@@H](CN(C)C)C2)c(C)c1 ZINC000128074696 365774252 /nfs/dbraw/zinc/77/42/52/365774252.db2.gz BECYAFHKVGTZMR-INIZCTEOSA-N 0 3 276.424 2.374 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000060955854 343664234 /nfs/dbraw/zinc/66/42/34/343664234.db2.gz NUOTZWDWFOSOJZ-HZSPNIEDSA-N 0 3 269.433 2.451 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(OC)c1F ZINC000128025316 187346921 /nfs/dbraw/zinc/34/69/21/187346921.db2.gz QZZJSOGGXZDHQW-LBPRGKRZSA-N 0 3 294.370 2.391 10 0 CEAEHN CCC1(O)CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000075859572 343869971 /nfs/dbraw/zinc/86/99/71/343869971.db2.gz PEFGSGFIGVSSAG-HNNXBMFYSA-N 0 3 263.381 2.131 10 0 CEAEHN COC[C@H](O)CN1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127079107 187280466 /nfs/dbraw/zinc/28/04/66/187280466.db2.gz BIIOXQDXRYQMTD-QWHCGFSZSA-N 0 3 298.452 2.453 10 0 CEAEHN CCO[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000114503694 344279793 /nfs/dbraw/zinc/27/97/93/344279793.db2.gz LNZGPJMJLYDWJG-IAGOWNOFSA-N 0 3 293.407 2.065 10 0 CEAEHN NC[C@H]1OCCc2sc(N3CCCCC3)cc21 ZINC000117844886 344290340 /nfs/dbraw/zinc/29/03/40/344290340.db2.gz BBADFWSFNOQECA-LLVKDONJSA-N 0 3 252.383 2.311 10 0 CEAEHN Nc1nccc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000128262723 344335418 /nfs/dbraw/zinc/33/54/18/344335418.db2.gz KHDNZZFBIJGVER-UHFFFAOYSA-N 0 3 283.379 2.135 10 0 CEAEHN Cc1noc(C2CC2)c1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000129317858 344342678 /nfs/dbraw/zinc/34/26/78/344342678.db2.gz INMSVKVPAGNJMX-NSHDSACASA-N 0 3 278.356 2.028 10 0 CEAEHN COc1ccc([C@H](C)NC(=O)[C@H](N)C(C)(C)C)cc1 ZINC000123368412 344310129 /nfs/dbraw/zinc/31/01/29/344310129.db2.gz XALMZXSBLQJKBB-GWCFXTLKSA-N 0 3 264.369 2.246 10 0 CEAEHN C[C@H]1CC(c2ccncc2[N+](=O)[O-])=CC(=O)[C@H]1CN(C)C ZINC000149822748 344415227 /nfs/dbraw/zinc/41/52/27/344415227.db2.gz MRURIDYMVHCNJL-GWCFXTLKSA-N 0 3 289.335 2.160 10 0 CEAEHN CC(C)(C)OC(=O)c1cccc(N2CCNCC2)c1 ZINC000167374647 344478572 /nfs/dbraw/zinc/47/85/72/344478572.db2.gz AFCAYJFRTLTAKH-UHFFFAOYSA-N 0 3 262.353 2.052 10 0 CEAEHN Cc1ccccc1C1(C(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000170868350 344491894 /nfs/dbraw/zinc/49/18/94/344491894.db2.gz KIPREXFRJYWFFR-CQSZACIVSA-N 0 3 272.392 2.189 10 0 CEAEHN COC(=O)[C@H](C)CN(C)Cc1ccc2ccccc2n1 ZINC000050068929 362397809 /nfs/dbraw/zinc/39/78/09/362397809.db2.gz XVMYKXMRFDAVJN-GFCCVEGCSA-N 0 3 272.348 2.476 10 0 CEAEHN CCCCOC[C@H](O)CNCc1cscc1C ZINC000227894450 344557562 /nfs/dbraw/zinc/55/75/62/344557562.db2.gz HTXZDDHYKBWEFU-CYBMUJFWSA-N 0 3 257.399 2.324 10 0 CEAEHN COc1ccc(CNCCn2cc(C)cn2)c(F)c1 ZINC000234923055 344588039 /nfs/dbraw/zinc/58/80/39/344588039.db2.gz JOANGGJTZQJXID-UHFFFAOYSA-N 0 3 263.316 2.129 10 0 CEAEHN CCSc1cc(C(=O)N[C@@H]2CCCN(CC)C2)ccn1 ZINC000053150477 362483925 /nfs/dbraw/zinc/48/39/25/362483925.db2.gz CXFVMODRNPDGDO-CYBMUJFWSA-N 0 3 293.436 2.408 10 0 CEAEHN NCc1cc(Br)ncc1OC(F)(F)F ZINC000238631571 344606922 /nfs/dbraw/zinc/60/69/22/344606922.db2.gz CQRLIGJGNVWNPN-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN N[C@H](C[C@@H]1CCOC1)c1ccc(Br)o1 ZINC000306591806 344715155 /nfs/dbraw/zinc/71/51/55/344715155.db2.gz VUSOKYSSVQNKEI-JGVFFNPUSA-N 0 3 260.131 2.469 10 0 CEAEHN N[C@@H](Cn1cccn1)c1cscc1Br ZINC000306888357 344718300 /nfs/dbraw/zinc/71/83/00/344718300.db2.gz VVDXVOOIJZVJRZ-VIFPVBQESA-N 0 3 272.171 2.407 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)[C@H]1CC2CCC1CC2 ZINC000381668319 344824879 /nfs/dbraw/zinc/82/48/79/344824879.db2.gz KTBMTCNXMMSQJD-DQRRXLOISA-N 0 3 252.402 2.445 10 0 CEAEHN CCN[C@H](C[S@](=O)CCOC)c1ccc(C)cc1C ZINC000084036035 178775743 /nfs/dbraw/zinc/77/57/43/178775743.db2.gz GMOFNASYIUEILZ-BEFAXECRSA-N 0 3 283.437 2.349 10 0 CEAEHN CC[C@@H](C)N[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000584605106 344963561 /nfs/dbraw/zinc/96/35/61/344963561.db2.gz BNZHZYBYIUOPJY-GHMZBOCLSA-N 0 3 298.408 2.017 10 0 CEAEHN C[C@H](Cc1c[nH]c2ccccc12)NC[C@](C)(F)CO ZINC000584621183 344967348 /nfs/dbraw/zinc/96/73/48/344967348.db2.gz LLBNXYIFLJLUEA-ABAIWWIYSA-N 0 3 264.344 2.409 10 0 CEAEHN COc1ccc(-c2cc3c(nc2N)NCCC3)cc1 ZINC000584883385 344996880 /nfs/dbraw/zinc/99/68/80/344996880.db2.gz VJZWZQVKEYTOBB-UHFFFAOYSA-N 0 3 255.321 2.044 10 0 CEAEHN CCN(Cc1ccccc1Cl)C(=O)[C@@H](C)NC ZINC000054075053 362510416 /nfs/dbraw/zinc/51/04/16/362510416.db2.gz ZTCOFXKDKZSGCU-SNVBAGLBSA-N 0 3 254.761 2.296 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccccc1N1CCCCC1 ZINC000054076394 362510545 /nfs/dbraw/zinc/51/05/45/362510545.db2.gz ILMGHFDCKDPNQT-GFCCVEGCSA-N 0 3 261.369 2.223 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)C2CCCCC2)C1 ZINC000057870607 362597772 /nfs/dbraw/zinc/59/77/72/362597772.db2.gz BNASCVOQKKNAJI-CYBMUJFWSA-N 0 3 267.417 2.445 10 0 CEAEHN CCn1nccc1[C@H](NC)[C@H]1OCCc2ccccc21 ZINC000097185750 185557046 /nfs/dbraw/zinc/55/70/46/185557046.db2.gz QHCTYUBENIFHAZ-HOTGVXAUSA-N 0 3 271.364 2.478 10 0 CEAEHN CCN[C@@H](Cc1c(Cl)c(C)nn1C)c1cnns1 ZINC000097273840 185575709 /nfs/dbraw/zinc/57/57/09/185575709.db2.gz HKDVIBJCFOUSMY-QMMMGPOBSA-N 0 3 285.804 2.127 10 0 CEAEHN CCCN[C@H](CCCOCC)c1ncc(OC)nc1OC ZINC000097387416 185596182 /nfs/dbraw/zinc/59/61/82/185596182.db2.gz JPDCXWOZAGBXPK-GFCCVEGCSA-N 0 3 297.399 2.351 10 0 CEAEHN CCCn1ncc(OC)c1[C@H](CCCOCC)NC ZINC000097450829 185608543 /nfs/dbraw/zinc/60/85/43/185608543.db2.gz HOGOENWNCJFZNV-LBPRGKRZSA-N 0 3 269.389 2.379 10 0 CEAEHN CN[C@@H](CCSC)c1c(OC)cnn1C(C)C ZINC000097450301 185608965 /nfs/dbraw/zinc/60/89/65/185608965.db2.gz AUDGYYBMSBRBSM-JTQLQIEISA-N 0 3 257.403 2.486 10 0 CEAEHN Cc1cc(N2CCOC[C@@H]2C)c([C@H](C)N)cc1F ZINC000094765709 136514608 /nfs/dbraw/zinc/51/46/08/136514608.db2.gz HMRSYONRURKXOP-QWRGUYRKSA-N 0 3 252.333 2.379 10 0 CEAEHN CCCn1nccc1[C@H](NN)[C@@](C)(CC)N1CCCC1 ZINC000097584413 185631014 /nfs/dbraw/zinc/63/10/14/185631014.db2.gz ROJQDZOGPRWQBF-LSDHHAIUSA-N 0 3 279.432 2.062 10 0 CEAEHN CN(C)C1([C@H](Cc2nccs2)NN)CCCCCC1 ZINC000097591527 185635034 /nfs/dbraw/zinc/63/50/34/185635034.db2.gz RGLSRWVIGOXNON-LBPRGKRZSA-N 0 3 282.457 2.172 10 0 CEAEHN N[C@@](CO)(CSc1ccccn1)c1ccccc1 ZINC000085292025 179007868 /nfs/dbraw/zinc/00/78/68/179007868.db2.gz KLNQDUANOPMLHX-AWEZNQCLSA-N 0 3 260.362 2.020 10 0 CEAEHN CC(C)OCCN1CCN[C@@](C)(c2ccccc2)C1 ZINC000085435472 179062406 /nfs/dbraw/zinc/06/24/06/179062406.db2.gz BDHWCNJIBWRKCW-MRXNPFEDSA-N 0 3 262.397 2.232 10 0 CEAEHN CCCNc1nc(C)nc(N[C@H](CO)C(C)C)c1C ZINC000128406419 187368120 /nfs/dbraw/zinc/36/81/20/187368120.db2.gz LYACBTQOWHJLEX-GFCCVEGCSA-N 0 3 266.389 2.344 10 0 CEAEHN C[C@@H]1CN[C@@H](c2ccccc2)CN1CCCn1ccnc1 ZINC000085504281 179084917 /nfs/dbraw/zinc/08/49/17/179084917.db2.gz FCCLBVGNOXKQSH-NVXWUHKLSA-N 0 3 284.407 2.308 10 0 CEAEHN CC[C@H]1CN[C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085505239 179084677 /nfs/dbraw/zinc/08/46/77/179084677.db2.gz XNIYCOAWKJYXFR-JKSUJKDBSA-N 0 3 282.391 2.402 10 0 CEAEHN COCCN[C@@H](CO)c1ccc(Br)c(C)c1 ZINC000085708076 179122991 /nfs/dbraw/zinc/12/29/91/179122991.db2.gz SVSVMDTUKOONJF-LBPRGKRZSA-N 0 3 288.185 2.027 10 0 CEAEHN O=C(CNC[C@@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cc1 ZINC000085987014 179212044 /nfs/dbraw/zinc/21/20/44/179212044.db2.gz FVTNMHFTFZOIBA-FZMZJTMJSA-N 0 3 296.798 2.419 10 0 CEAEHN C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1C ZINC000086076483 179225947 /nfs/dbraw/zinc/22/59/47/179225947.db2.gz LUTGZTCGWDFWGE-RJZRQDKASA-N 0 3 260.381 2.107 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086021027 179218542 /nfs/dbraw/zinc/21/85/42/179218542.db2.gz ISLNSUVFZPUKAN-WFASDCNBSA-N 0 3 297.420 2.089 10 0 CEAEHN CCN[C@@H](c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086021208 179219024 /nfs/dbraw/zinc/21/90/24/179219024.db2.gz QAPJYSRNYVXPEH-DGCLKSJQSA-N 0 3 287.450 2.450 10 0 CEAEHN c1coc(CCN2CCN[C@@H](c3ccccc3)C2)c1 ZINC000086142812 179237422 /nfs/dbraw/zinc/23/74/22/179237422.db2.gz ZYGXOESBUHRPAF-MRXNPFEDSA-N 0 3 256.349 2.469 10 0 CEAEHN CO[C@@H]1CCC[C@@H]1N1CCN[C@H](c2ccccc2)C1 ZINC000086146845 179239654 /nfs/dbraw/zinc/23/96/54/179239654.db2.gz KYVYUFLFMLPJPB-HRCADAONSA-N 0 3 260.381 2.200 10 0 CEAEHN CCN1CCC[C@@H](NCc2cnc(C(C)(C)C)nc2)C1 ZINC000336829962 365894067 /nfs/dbraw/zinc/89/40/67/365894067.db2.gz JNDMKLGGEYJMCF-CQSZACIVSA-N 0 3 276.428 2.348 10 0 CEAEHN C[C@H]1CN[C@@](C)(c2ccccc2)CN1Cc1nccn1C ZINC000086264854 179260930 /nfs/dbraw/zinc/26/09/30/179260930.db2.gz BBSYSHODQRVALB-WMLDXEAASA-N 0 3 284.407 2.129 10 0 CEAEHN C[C@@H]1CN(c2nc(Br)cs2)C[C@@H](C)N1 ZINC000086278406 179263054 /nfs/dbraw/zinc/26/30/54/179263054.db2.gz FUPPPKNCKXZBDL-RNFRBKRXSA-N 0 3 276.203 2.092 10 0 CEAEHN CN1C(=O)CCC[C@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317420 179270526 /nfs/dbraw/zinc/27/05/26/179270526.db2.gz JNYCWOVONSPKGI-BLLLJJGKSA-N 0 3 269.348 2.246 10 0 CEAEHN NC[C@@H]1OCCN(C2CC2)[C@@H]1c1ccc2ccccc2n1 ZINC000086317400 179270543 /nfs/dbraw/zinc/27/05/43/179270543.db2.gz DGPUOVVIKJRWBF-DLBZAZTESA-N 0 3 283.375 2.098 10 0 CEAEHN CCOc1ccc(NC(=O)c2ccncc2F)cc1CN ZINC000086317190 179269785 /nfs/dbraw/zinc/26/97/85/179269785.db2.gz LHDMRYZKQGJAAI-UHFFFAOYSA-N 0 3 289.310 2.330 10 0 CEAEHN CCc1ccc([C@@H](C)NCCN2C(=O)CCC2=O)cc1 ZINC000129944079 365910807 /nfs/dbraw/zinc/91/08/07/365910807.db2.gz IVRMSZWANONZSX-GFCCVEGCSA-N 0 3 274.364 2.049 10 0 CEAEHN CCN(CCOC)[C@H](CN)c1cc(Cl)cs1 ZINC000086333295 179273861 /nfs/dbraw/zinc/27/38/61/179273861.db2.gz BRRBSEVQLGJNHG-SNVBAGLBSA-N 0 3 262.806 2.370 10 0 CEAEHN CN[C@H]1CCCc2sc(N(C)C[C@@H]3CCCO3)nc21 ZINC000086443536 179293909 /nfs/dbraw/zinc/29/39/09/179293909.db2.gz RWESDBPDWHPKRP-QWRGUYRKSA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc(F)cc2)[C@@H](CC)CN1 ZINC000086446414 179294768 /nfs/dbraw/zinc/29/47/68/179294768.db2.gz PJMRTAHKBAKTFE-KBPBESRZSA-N 0 3 264.344 2.428 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cccc(OC)c2O)[C@@H](CC)CN1 ZINC000086445971 179295055 /nfs/dbraw/zinc/29/50/55/179295055.db2.gz QXHSZNOKVKKVBZ-RYUDHWBXSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@H]1CN(C(=O)c2scnc2C)[C@@H](CC)CN1 ZINC000086448149 179295685 /nfs/dbraw/zinc/29/56/85/179295685.db2.gz ZGKQUMOEDDPVJN-QWRGUYRKSA-N 0 3 267.398 2.054 10 0 CEAEHN C[C@@]1(C(=O)N2CCC3(CCC3)CC2)CCCCN1 ZINC000308697248 539577660 /nfs/dbraw/zinc/57/76/60/539577660.db2.gz NOIMSILYHLDQRU-AWEZNQCLSA-N 0 3 250.386 2.311 10 0 CEAEHN Cc1nc(Sc2cccc(CN)n2)nc(C)c1C ZINC000086644096 179315636 /nfs/dbraw/zinc/31/56/36/179315636.db2.gz FFRLZILICUQKIU-UHFFFAOYSA-N 0 3 260.366 2.407 10 0 CEAEHN COC[C@H](N[C@H](C)c1c(C)nn(C)c1C)C(C)C ZINC000086695238 179320530 /nfs/dbraw/zinc/32/05/30/179320530.db2.gz ULXLYOUZWLPOKP-MFKMUULPSA-N 0 3 253.390 2.359 10 0 CEAEHN Cc1cccc(CCN[C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086675836 179319287 /nfs/dbraw/zinc/31/92/87/179319287.db2.gz DGHKEQNESBOHND-CABCVRRESA-N 0 3 281.421 2.093 10 0 CEAEHN COc1ccc(OC)c([C@]2(O)CCCN(C)CC2)c1 ZINC000086834128 179350723 /nfs/dbraw/zinc/35/07/23/179350723.db2.gz OCJRFGCSUUDWBD-HNNXBMFYSA-N 0 3 265.353 2.007 10 0 CEAEHN CCOC(=O)[C@]1(NCC2CC2)CCCN(C(C)C)CC1 ZINC000086850347 179358523 /nfs/dbraw/zinc/35/85/23/179358523.db2.gz LHRCNDNQGMJVNZ-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCN1CCC[C@@](NC2CCCC2)(C(=O)OC)CC1 ZINC000086850378 179358590 /nfs/dbraw/zinc/35/85/90/179358590.db2.gz JTQRGLPCXKMJRE-INIZCTEOSA-N 0 3 282.428 2.326 10 0 CEAEHN CC[C@@](C)(O)CN[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087027809 179381741 /nfs/dbraw/zinc/38/17/41/179381741.db2.gz MLBCDVDRQNRMQA-IUODEOHRSA-N 0 3 264.369 2.073 10 0 CEAEHN COc1ccc(-c2nc(NN)cc(C3CC3)n2)cc1F ZINC000086994266 179376258 /nfs/dbraw/zinc/37/62/58/179376258.db2.gz OMJQTKVUZCPFSD-UHFFFAOYSA-N 0 3 274.299 2.454 10 0 CEAEHN CCC1CCC(O)(CN[C@H](C)c2nccn2C)CC1 ZINC000087053494 179389030 /nfs/dbraw/zinc/38/90/30/179389030.db2.gz KVVPRJOZUUKTJK-DNOWBOINSA-N 0 3 265.401 2.402 10 0 CEAEHN CCC1CCC(O)(CNCC(=O)NC2CCCCC2)CC1 ZINC000087066076 179389967 /nfs/dbraw/zinc/38/99/67/179389967.db2.gz BGSFAFBMACEAQI-UHFFFAOYSA-N 0 3 296.455 2.356 10 0 CEAEHN CCN[C@H](COC)Cc1nc(CS[C@H](C)CC)no1 ZINC000087140986 179397407 /nfs/dbraw/zinc/39/74/07/179397407.db2.gz JMNJEOIULWUUEN-MNOVXSKESA-N 0 3 287.429 2.268 10 0 CEAEHN CCC[C@H](N)c1cnc(NC(=O)C(C)(C)C)cn1 ZINC000067172096 362902905 /nfs/dbraw/zinc/90/29/05/362902905.db2.gz JJGISDLANCWICA-VIFPVBQESA-N 0 3 250.346 2.261 10 0 CEAEHN CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CNCCN1 ZINC000616628915 348540577 /nfs/dbraw/zinc/54/05/77/348540577.db2.gz GCYSUXPJWKTIAS-CYBMUJFWSA-N 0 3 277.368 2.268 10 0 CEAEHN CCOC(=O)c1cccc([C@@H]2CNCCN2C(C)C)c1 ZINC000616637502 348542970 /nfs/dbraw/zinc/54/29/70/348542970.db2.gz NXJREXNKXTYUPJ-HNNXBMFYSA-N 0 3 276.380 2.218 10 0 CEAEHN CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CNCCN1 ZINC000616651041 348547792 /nfs/dbraw/zinc/54/77/92/348547792.db2.gz GCYSUXPJWKTIAS-ZDUSSCGKSA-N 0 3 277.368 2.268 10 0 CEAEHN CCN1CCCO[C@H](c2ccc3ccnnc3c2)C1 ZINC000616649855 348548013 /nfs/dbraw/zinc/54/80/13/348548013.db2.gz LUMIZUSQIAQZMQ-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN Nc1ccc([C@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000616651499 348548399 /nfs/dbraw/zinc/54/83/99/348548399.db2.gz OQLNMOUFEKSYTH-MRXNPFEDSA-N 0 3 283.375 2.458 10 0 CEAEHN CC(C)N1CCCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616652050 348548594 /nfs/dbraw/zinc/54/85/94/348548594.db2.gz CWPNPIQYVRJIOM-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN CC(C)N1CCCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616652671 348549117 /nfs/dbraw/zinc/54/91/17/348549117.db2.gz IKERQEQRJWEOKF-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN CC(C)N1CCO[C@@H](c2ccc(CCO)cc2)CC1 ZINC000616595078 348528399 /nfs/dbraw/zinc/52/83/99/348528399.db2.gz TXBMSMWYAXNICP-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN CC(C)N1CCO[C@@H](c2ccccc2CCO)CC1 ZINC000616594558 348528611 /nfs/dbraw/zinc/52/86/11/348528611.db2.gz QQFDSTGBWZMQSD-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN OCCN1CCC[C@@H](c2cncc3ccccc32)C1 ZINC000616609274 348533263 /nfs/dbraw/zinc/53/32/63/348533263.db2.gz OPFLEXIYMDKCKD-CQSZACIVSA-N 0 3 256.349 2.407 10 0 CEAEHN CCn1ncnc1C[C@@H](NC)c1ccc(C)c(F)c1 ZINC000088610740 179637868 /nfs/dbraw/zinc/63/78/68/179637868.db2.gz AGIGZVXAZVRGPQ-CYBMUJFWSA-N 0 3 262.332 2.249 10 0 CEAEHN CCN[C@@H](Cc1ccncc1Cl)c1cnccn1 ZINC000088789009 179672391 /nfs/dbraw/zinc/67/23/91/179672391.db2.gz DBEAEDFXEQJKMT-LBPRGKRZSA-N 0 3 262.744 2.418 10 0 CEAEHN COc1ccc(O[C@@H]2CCCCC[C@@H]2O)c(CN)c1 ZINC000088761395 179668205 /nfs/dbraw/zinc/66/82/05/179668205.db2.gz WXVJPVVLKJSKTR-DZGCQCFKSA-N 0 3 265.353 2.226 10 0 CEAEHN Cc1cc(CN)cc(S(=O)(=O)N(C)CC(C)(C)C)c1C ZINC000089013662 179691318 /nfs/dbraw/zinc/69/13/18/179691318.db2.gz AIFHYGVSSFFPAU-UHFFFAOYSA-N 0 3 298.452 2.429 10 0 CEAEHN CCn1nc(CC2(O)CCN(C)CC2)c2ccccc21 ZINC000089176057 179741520 /nfs/dbraw/zinc/74/15/20/179741520.db2.gz DVEXZWLLWPBAFN-UHFFFAOYSA-N 0 3 273.380 2.055 10 0 CEAEHN CC(C)[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1cccs1 ZINC000090027239 179907233 /nfs/dbraw/zinc/90/72/33/179907233.db2.gz KBZQZSHPMZPYDW-GXFFZTMASA-N 0 3 280.393 2.182 10 0 CEAEHN CCNCc1cncn1Cc1ccc(OC)c(OC)c1 ZINC000090240813 179938143 /nfs/dbraw/zinc/93/81/43/179938143.db2.gz JVNQKHWQSAYJLE-UHFFFAOYSA-N 0 3 275.352 2.058 10 0 CEAEHN CCCNCc1cncn1[C@@H](C)c1nccs1 ZINC000090242905 179939272 /nfs/dbraw/zinc/93/92/72/179939272.db2.gz LCIVGHHENQPODK-JTQLQIEISA-N 0 3 250.371 2.449 10 0 CEAEHN CCN(C(=O)[C@@H]1COC[C@@H]1N)c1cccc2ccccc21 ZINC000090378782 179979584 /nfs/dbraw/zinc/97/95/84/179979584.db2.gz UNNZJGIAKFRHNL-CABCVRRESA-N 0 3 284.359 2.166 10 0 CEAEHN C[C@]1(c2nc(-c3ccccc3Cl)no2)COC[C@H]1N ZINC000090573650 180007372 /nfs/dbraw/zinc/00/73/72/180007372.db2.gz LIBCORRZBFDYBP-MFKMUULPSA-N 0 3 279.727 2.005 10 0 CEAEHN CCCn1c2cccc(F)c2nc1[C@]1(C)COC[C@H]1N ZINC000090571790 180007484 /nfs/dbraw/zinc/00/74/84/180007484.db2.gz KQODIANIGUJUGY-IUODEOHRSA-N 0 3 277.343 2.201 10 0 CEAEHN C[C@@]1(C(=O)Nc2cc(Cl)ccc2Cl)COC[C@H]1N ZINC000090580142 180008262 /nfs/dbraw/zinc/00/82/62/180008262.db2.gz BWVHTTHBRRDRRE-ZYHUDNBSSA-N 0 3 289.162 2.296 10 0 CEAEHN CCC1CCC(c2noc([C@@]3(C)COC[C@H]3N)n2)CC1 ZINC000090574139 180008550 /nfs/dbraw/zinc/00/85/50/180008550.db2.gz QYJUKOHKGVKUJT-KQFUTBAXSA-N 0 3 279.384 2.369 10 0 CEAEHN C[C@]1(c2nc(C3CCCCCC3)no2)COC[C@@H]1N ZINC000090574150 180008891 /nfs/dbraw/zinc/00/88/91/180008891.db2.gz MTXHZTBAOKLVGT-FZMZJTMJSA-N 0 3 265.357 2.123 10 0 CEAEHN CC(C)c1ccc([C@H](C)NC(=O)[C@]2(C)COC[C@@H]2N)cc1 ZINC000090587301 180009138 /nfs/dbraw/zinc/00/91/38/180009138.db2.gz VXWITUFDIWHHTP-YLQAJVPDSA-N 0 3 290.407 2.351 10 0 CEAEHN CC(C)(C)c1ccccc1NC(=O)[C@]1(C)COC[C@@H]1N ZINC000090586082 180009186 /nfs/dbraw/zinc/00/91/86/180009186.db2.gz FGNAAHYLPSZTQT-XJKSGUPXSA-N 0 3 276.380 2.286 10 0 CEAEHN CCCCN(C(=O)[C@]1(C)COC[C@H]1N)c1ccccc1 ZINC000090605519 180011089 /nfs/dbraw/zinc/01/10/89/180011089.db2.gz FOONSCUUOZIMJH-GDBMZVCRSA-N 0 3 276.380 2.184 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)NC1CCCCC1 ZINC000090700200 180028049 /nfs/dbraw/zinc/02/80/49/180028049.db2.gz JZIICYCWGUFMDE-CQSZACIVSA-N 0 3 299.484 2.398 10 0 CEAEHN CCOc1ccc(Nc2ncnc(OC)c2C)cc1CN ZINC000090789243 180041438 /nfs/dbraw/zinc/04/14/38/180041438.db2.gz DFXYSAIUVVFBSH-UHFFFAOYSA-N 0 3 288.351 2.395 10 0 CEAEHN COCc1cc([C@H](C)NC[C@H](C)[S@](C)=O)ccc1OC ZINC000090842920 180044418 /nfs/dbraw/zinc/04/44/18/180044418.db2.gz UNROHSXSEAVNTB-JOOBJXAISA-N 0 3 299.436 2.259 10 0 CEAEHN COCCNCc1cccc(SCCC(=O)OC)c1 ZINC000090873230 180049791 /nfs/dbraw/zinc/04/97/91/180049791.db2.gz WCNLZWDFTLPBEW-UHFFFAOYSA-N 0 3 283.393 2.078 10 0 CEAEHN Fc1ccc2c(c1)C[C@@H](CNCc1ccncc1)O2 ZINC000090892058 180054141 /nfs/dbraw/zinc/05/41/41/180054141.db2.gz HCTXFVCNXRHYQT-AWEZNQCLSA-N 0 3 258.296 2.314 10 0 CEAEHN CNCc1cn(C[C@H]2Cc3cc(F)ccc3O2)nc1C ZINC000090895594 180056488 /nfs/dbraw/zinc/05/64/88/180056488.db2.gz ZAQGCYWDXZSNKF-CQSZACIVSA-N 0 3 275.327 2.054 10 0 CEAEHN COC(=O)CCCN(C)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900831 180059304 /nfs/dbraw/zinc/05/93/04/180059304.db2.gz CXNIDODMCIHXDQ-CQSZACIVSA-N 0 3 277.364 2.184 10 0 CEAEHN CC(C)CN(CCN(C)C)Cc1csc([C@@H](C)N)n1 ZINC000090958365 180074842 /nfs/dbraw/zinc/07/48/42/180074842.db2.gz SOVTVSSXUAOPPU-GFCCVEGCSA-N 0 3 284.473 2.182 10 0 CEAEHN CO[C@@H]1CCC[C@H]1NCc1sccc1NC(C)=O ZINC000090960557 180075491 /nfs/dbraw/zinc/07/54/91/180075491.db2.gz JFBJIKBBTBHOHF-ZYHUDNBSSA-N 0 3 268.382 2.364 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@@H](C)Cn1ccnc1 ZINC000090962082 180076042 /nfs/dbraw/zinc/07/60/42/180076042.db2.gz ONCLRWYARNPCJV-LBPRGKRZSA-N 0 3 272.352 2.020 10 0 CEAEHN CCN1CCC[C@@H](NCc2ccccc2NC(C)=O)C1 ZINC000090962325 180077065 /nfs/dbraw/zinc/07/70/65/180077065.db2.gz KUFPAUAYFBTOKX-OAHLLOKOSA-N 0 3 275.396 2.219 10 0 CEAEHN NCc1cccn1CC(=O)Nc1ccccc1Cl ZINC000090995150 180082602 /nfs/dbraw/zinc/08/26/02/180082602.db2.gz YZULPRWSMMRVHK-UHFFFAOYSA-N 0 3 263.728 2.239 10 0 CEAEHN Fc1ccc2nc(C[C@H]3CSCCN3)oc2c1 ZINC000091129352 180100910 /nfs/dbraw/zinc/10/09/10/180100910.db2.gz CLVSXHHAEKELAS-VIFPVBQESA-N 0 3 252.314 2.214 10 0 CEAEHN CCN(Cc1ccncc1)[C@@H](CN)c1cncn1C1CC1 ZINC000091276387 180120514 /nfs/dbraw/zinc/12/05/14/180120514.db2.gz LTOHROUFSZNIHM-HNNXBMFYSA-N 0 3 285.395 2.135 10 0 CEAEHN CNCc1cc(Cl)c(OCc2cncn2C)c(OC)c1 ZINC000091278247 180121284 /nfs/dbraw/zinc/12/12/84/180121284.db2.gz MUNXMUYFKBNRKO-UHFFFAOYSA-N 0 3 295.770 2.381 10 0 CEAEHN CNCc1cc(Cl)ccc1OCc1cncn1C ZINC000091278271 180121296 /nfs/dbraw/zinc/12/12/96/180121296.db2.gz OIFCIBVIBZCRFU-UHFFFAOYSA-N 0 3 265.744 2.372 10 0 CEAEHN CCOc1cccc(CNC)c1OCc1cncn1C ZINC000091278293 180121394 /nfs/dbraw/zinc/12/13/94/180121394.db2.gz OPPJHEUIMGRAED-UHFFFAOYSA-N 0 3 275.352 2.117 10 0 CEAEHN Cc1ccnc(Cl)c1NC(=O)C[C@@H]1CSCCN1 ZINC000091291779 180122755 /nfs/dbraw/zinc/12/27/55/180122755.db2.gz QVFBQNCSNZGTGO-SECBINFHSA-N 0 3 285.800 2.077 10 0 CEAEHN Cc1ccc2c(c1)nc(C[C@@H]1CNCCO1)n2C(C)C ZINC000091293201 180124325 /nfs/dbraw/zinc/12/43/25/180124325.db2.gz PLFHCWJNCRLGHV-CYBMUJFWSA-N 0 3 273.380 2.457 10 0 CEAEHN CCCNc1ccnc(C(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000091430419 180152923 /nfs/dbraw/zinc/15/29/23/180152923.db2.gz FGYQNYXGMPHDPH-AWEZNQCLSA-N 0 3 290.411 2.070 10 0 CEAEHN NCc1cccc(NC(=O)c2ccncc2Cl)c1 ZINC000091456906 180160149 /nfs/dbraw/zinc/16/01/49/180160149.db2.gz XIGVTBYOMAIQHV-UHFFFAOYSA-N 0 3 261.712 2.446 10 0 CEAEHN COCCNC[C@@H](O)Cc1csc2ccccc12 ZINC000091467399 180164317 /nfs/dbraw/zinc/16/43/17/180164317.db2.gz VYWNEARSSYWRNZ-LBPRGKRZSA-N 0 3 265.378 2.041 10 0 CEAEHN CC1(C)C(C(=O)N[C@H]2c3ccccc3C[C@H]2N)C1(C)C ZINC000091494708 180171273 /nfs/dbraw/zinc/17/12/73/180171273.db2.gz KTNRRRKFWJUGFR-OLZOCXBDSA-N 0 3 272.392 2.410 10 0 CEAEHN C[C@@H](O)C(C)(C)CN1CCN(Cc2ccccc2)CC1 ZINC000091405646 180147861 /nfs/dbraw/zinc/14/78/61/180147861.db2.gz IKBAIMXHFFRXEQ-OAHLLOKOSA-N 0 3 276.424 2.211 10 0 CEAEHN CCN(c1cncc(CNCC(C)C)n1)C(C)C ZINC000091419102 180150527 /nfs/dbraw/zinc/15/05/27/180150527.db2.gz GWJFAKVHYDOXCN-UHFFFAOYSA-N 0 3 250.390 2.457 10 0 CEAEHN CCCNCc1cncc(N(C)[C@H](C)C(C)C)n1 ZINC000091419393 180150703 /nfs/dbraw/zinc/15/07/03/180150703.db2.gz BHTXSHXIORZCLJ-GFCCVEGCSA-N 0 3 250.390 2.457 10 0 CEAEHN CCCn1ccnc1[C@H](NC)[C@](C)(CC)N(C)C ZINC000091570786 180195510 /nfs/dbraw/zinc/19/55/10/180195510.db2.gz XDPVQLMXAYOZOU-JSGCOSHPSA-N 0 3 252.406 2.284 10 0 CEAEHN CCN[C@H](c1nccn1CC)[C@](C)(CC)N(C)C ZINC000091571472 180196592 /nfs/dbraw/zinc/19/65/92/180196592.db2.gz LOPGYFKQMSQKKV-OCCSQVGLSA-N 0 3 252.406 2.284 10 0 CEAEHN CCN1CCC[C@@H]1CNc1c(N)c(C(C)C)nn1C ZINC000091576881 180197866 /nfs/dbraw/zinc/19/78/66/180197866.db2.gz AEUIRJMTLUHQNA-LLVKDONJSA-N 0 3 265.405 2.022 10 0 CEAEHN CC[C@@](C)([C@H](NC)c1cncnc1)N1CCCCC1 ZINC000091609653 180205457 /nfs/dbraw/zinc/20/54/57/180205457.db2.gz WACQUKVVJCWXCL-CABCVRRESA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccc(F)cc1)N1CCOCC1 ZINC000091611986 180207301 /nfs/dbraw/zinc/20/73/01/180207301.db2.gz RBONMUVAGNMUSA-HUUCEWRRSA-N 0 3 266.360 2.326 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccc(F)cc1)N1CCOCC1 ZINC000091611987 180207310 /nfs/dbraw/zinc/20/73/10/180207310.db2.gz RBONMUVAGNMUSA-GJZGRUSLSA-N 0 3 266.360 2.326 10 0 CEAEHN CCCn1ccnc1[C@@H](NCC)C(C)(C)N(C)C ZINC000091529183 180180364 /nfs/dbraw/zinc/18/03/64/180180364.db2.gz PITGTNDHTZBIGT-GFCCVEGCSA-N 0 3 252.406 2.284 10 0 CEAEHN CCCN[C@@H](c1cnccn1)C(C)(C)N1CCCC1 ZINC000091536152 180182102 /nfs/dbraw/zinc/18/21/02/180182102.db2.gz BQZQIEXDOVQCER-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN CCn1ccnc1[C@@H](NC)C(C)(C)N1CCCC1 ZINC000091534801 180182434 /nfs/dbraw/zinc/18/24/34/180182434.db2.gz IDOZPOAAJKZCFN-GFCCVEGCSA-N 0 3 250.390 2.038 10 0 CEAEHN O[C@H](c1cccc(Cl)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091715459 180232722 /nfs/dbraw/zinc/23/27/22/180232722.db2.gz ZWTPXANSOARXJO-HZSPNIEDSA-N 0 3 267.756 2.237 10 0 CEAEHN CN[C@H](c1ccccc1C(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000091717727 180232931 /nfs/dbraw/zinc/23/29/31/180232931.db2.gz YMXOENWVMLLFDP-QWHCGFSZSA-N 0 3 288.313 2.297 10 0 CEAEHN CCN[C@H](c1ccc(OCC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718407 180233123 /nfs/dbraw/zinc/23/31/23/180233123.db2.gz PQPCNNXCLJMQIN-JKSUJKDBSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@H](c1ccccc1C)[C@H]1CN(C)CCO1 ZINC000091718937 180233247 /nfs/dbraw/zinc/23/32/47/180233247.db2.gz NPXKSYLMOPMWAB-HZPDHXFCSA-N 0 3 262.397 2.366 10 0 CEAEHN CCN[C@@H](c1ccccc1OCC)[C@@H]1CN(C)CCO1 ZINC000091718790 180233508 /nfs/dbraw/zinc/23/35/08/180233508.db2.gz ULLXLEIVKSPFTN-HOTGVXAUSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1C)[C@@H]1CN(C)CCO1 ZINC000091719555 180234039 /nfs/dbraw/zinc/23/40/39/180234039.db2.gz WRYPKBQDIQLRBQ-DLBZAZTESA-N 0 3 292.423 2.375 10 0 CEAEHN CN[C@@H](CN(C)C)c1cccc(OC(F)(F)F)c1 ZINC000091719638 180234211 /nfs/dbraw/zinc/23/42/11/180234211.db2.gz CKDHRBARUKAGTD-NSHDSACASA-N 0 3 262.275 2.407 10 0 CEAEHN CCCN[C@@H](c1cccc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719262 180234411 /nfs/dbraw/zinc/23/44/11/180234411.db2.gz FGKYVKMLMMOBAU-GJZGRUSLSA-N 0 3 266.360 2.197 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccccc1OC(F)F ZINC000624235365 350238380 /nfs/dbraw/zinc/23/83/80/350238380.db2.gz JEKUVBWIWVQAFQ-DLOVCJGASA-N 0 3 287.306 2.088 10 0 CEAEHN CN[C@H](c1cc(C)ccc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721321 180237687 /nfs/dbraw/zinc/23/76/87/180237687.db2.gz AIRXRNNGUODDBF-UHOFOFEASA-N 0 3 278.371 2.258 10 0 CEAEHN CN[C@H](c1cc(C)ccc1OC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721461 180238389 /nfs/dbraw/zinc/23/83/89/180238389.db2.gz FMZAXTBTUODTTN-XOKHGSTOSA-N 0 3 290.407 2.127 10 0 CEAEHN COC(=O)c1ccc([C@@H](C)N2CCCC[C@@H]2CCO)o1 ZINC000091780242 180252883 /nfs/dbraw/zinc/25/28/83/180252883.db2.gz OXRAHMIULANWHZ-VXGBXAGGSA-N 0 3 281.352 2.364 10 0 CEAEHN CCN[C@H]1CCCc2nc([C@H]3CN(C)CCO3)sc21 ZINC000091722469 180241070 /nfs/dbraw/zinc/24/10/70/180241070.db2.gz SXOIIJBXNRBQRX-CMPLNLGQSA-N 0 3 281.425 2.133 10 0 CEAEHN CC(C)NCc1ncoc1-c1cccc(S(C)(=O)=O)c1 ZINC000091958481 180292352 /nfs/dbraw/zinc/29/23/52/180292352.db2.gz JUGHGNRTMUQESB-UHFFFAOYSA-N 0 3 294.376 2.243 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000092052688 180312653 /nfs/dbraw/zinc/31/26/53/180312653.db2.gz QMZHBBCCUTXATH-GXTWGEPZSA-N 0 3 280.437 2.436 10 0 CEAEHN Cc1ccc(O)c(CN2CCc3c(N)cccc3C2)n1 ZINC000091996043 180301746 /nfs/dbraw/zinc/30/17/46/180301746.db2.gz UMHUHMFUSMINBO-UHFFFAOYSA-N 0 3 269.348 2.236 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1ccc(C)nc1CNC(C)C ZINC000091995542 180301762 /nfs/dbraw/zinc/30/17/62/180301762.db2.gz BSGLQRHBYJVHJR-GFCCVEGCSA-N 0 3 280.368 2.218 10 0 CEAEHN COCCCOc1ccc(C)nc1CNC(C)C ZINC000091995598 180302360 /nfs/dbraw/zinc/30/23/60/180302360.db2.gz CQWKPOYWFXZUKD-UHFFFAOYSA-N 0 3 252.358 2.303 10 0 CEAEHN COC(C)(C)c1nc(C)cc(CNCC(C)C)n1 ZINC000092140931 180333488 /nfs/dbraw/zinc/33/34/88/180333488.db2.gz TZAVUVJKECTEAN-UHFFFAOYSA-N 0 3 251.374 2.412 10 0 CEAEHN CNCc1cnn(-c2cc(F)c(F)c(F)c2)c1C ZINC000092150289 180334107 /nfs/dbraw/zinc/33/41/07/180334107.db2.gz ZRKOKKXMEMZNPJ-UHFFFAOYSA-N 0 3 255.243 2.317 10 0 CEAEHN C[C@@H](O)CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000092151326 180334941 /nfs/dbraw/zinc/33/49/41/180334941.db2.gz GIOOYEHQHRXWPD-GDBMZVCRSA-N 0 3 290.407 2.101 10 0 CEAEHN COc1c(CN2CCCC[C@@H](SC)C2)c(C)nn1C ZINC000092064169 180316946 /nfs/dbraw/zinc/31/69/46/180316946.db2.gz ANIFRVYIJAXCMK-GFCCVEGCSA-N 0 3 283.441 2.455 10 0 CEAEHN NCc1ccccc1CNC(=O)[C@H]1Cc2ccccc2S1 ZINC000092231958 180348583 /nfs/dbraw/zinc/34/85/83/180348583.db2.gz FRLSIGDGBUFINR-MRXNPFEDSA-N 0 3 298.411 2.479 10 0 CEAEHN CCOC(=O)C1CCN(C[C@H]2COc3ccccc32)CC1 ZINC000092305654 180360809 /nfs/dbraw/zinc/36/08/09/180360809.db2.gz TWOBLDBMODBDRE-AWEZNQCLSA-N 0 3 289.375 2.438 10 0 CEAEHN COCCN(CCSc1ccccc1)CCC(N)=S ZINC000092261112 180354382 /nfs/dbraw/zinc/35/43/82/180354382.db2.gz CEZLODGAEWILPC-UHFFFAOYSA-N 0 3 298.477 2.403 10 0 CEAEHN OC[C@H](NC[C@H]1COc2ccccc21)c1ccccc1 ZINC000092300917 180358646 /nfs/dbraw/zinc/35/86/46/180358646.db2.gz RAZYEQAKCCRDDC-HOCLYGCPSA-N 0 3 269.344 2.486 10 0 CEAEHN CCOCCN1CCN(Cc2cccnc2)C[C@@H]1CC ZINC000105838234 186077907 /nfs/dbraw/zinc/07/79/07/186077907.db2.gz MOZBKFAFLPIQKB-INIZCTEOSA-N 0 3 277.412 2.014 10 0 CEAEHN Cc1cnn([C@H]2CCCN(C[C@H](O)Cc3ccccc3)C2)c1 ZINC000105901121 186088409 /nfs/dbraw/zinc/08/84/09/186088409.db2.gz DTFUSUFCVLSSOU-ZWKOTPCHSA-N 0 3 299.418 2.432 10 0 CEAEHN Cc1noc(C)c1CNC1=NC[C@H](C2CC2)S1 ZINC000092341233 180365697 /nfs/dbraw/zinc/36/56/97/180365697.db2.gz ZAJAGKTVAXYMKQ-LLVKDONJSA-N 0 3 251.355 2.262 10 0 CEAEHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(C)(C)O)C1 ZINC000106385218 186111280 /nfs/dbraw/zinc/11/12/80/186111280.db2.gz GXAZONNPVXFRAK-GFCCVEGCSA-N 0 3 286.416 2.089 10 0 CEAEHN CCC[S@@](=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092388858 180374666 /nfs/dbraw/zinc/37/46/66/180374666.db2.gz CQPHAYKNYTYRKI-DEYYWGMASA-N 0 3 267.394 2.169 10 0 CEAEHN CN[C@]1(CC(=O)OC)CCCc2ccc(OC)cc21 ZINC000092390501 180375144 /nfs/dbraw/zinc/37/51/44/180375144.db2.gz GIWBQJQVLBCPDA-HNNXBMFYSA-N 0 3 263.337 2.009 10 0 CEAEHN CCNc1ccnc(CN2CCC[C@H]2C(=O)OCC)c1 ZINC000092418328 180380930 /nfs/dbraw/zinc/38/09/30/180380930.db2.gz RSVWMPUDGPDOIN-AWEZNQCLSA-N 0 3 277.368 2.041 10 0 CEAEHN CCCNc1ccnc(CN2CCN(CC)CC2)c1 ZINC000092417927 180381432 /nfs/dbraw/zinc/38/14/32/180381432.db2.gz IPZNZJQYYPENAA-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CCCNc1ccnc(CN2CCN(C)C(C)(C)C2)c1 ZINC000092419231 180382393 /nfs/dbraw/zinc/38/23/93/180382393.db2.gz LYGZOFOKBKNVSE-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CNc1ccnc(CSc2nnc(N(C)C)s2)c1 ZINC000092421032 180382731 /nfs/dbraw/zinc/38/27/31/180382731.db2.gz FMQGHUVHKGVAPF-UHFFFAOYSA-N 0 3 281.410 2.333 10 0 CEAEHN CCC[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccccc1 ZINC000109041624 186241297 /nfs/dbraw/zinc/24/12/97/186241297.db2.gz LPKCMRAYZCWYEE-CQSZACIVSA-N 0 3 298.452 2.445 10 0 CEAEHN OC1(CN2CCO[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000109122236 186243931 /nfs/dbraw/zinc/24/39/31/186243931.db2.gz QTZXDJLMIQIQPF-KBPBESRZSA-N 0 3 253.386 2.325 10 0 CEAEHN CN[C@H](COC)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000109494645 186256701 /nfs/dbraw/zinc/25/67/01/186256701.db2.gz NFPVYZWRMBYZQB-NSHDSACASA-N 0 3 281.743 2.167 10 0 CEAEHN COC[C@@H](N)Cc1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000109511271 186258099 /nfs/dbraw/zinc/25/80/99/186258099.db2.gz UFRHYWCYCLRGGU-PCPABOIYSA-N 0 3 291.395 2.054 10 0 CEAEHN NNc1cc(C2CC2)nc(CCc2ccccc2)n1 ZINC000109527477 186260380 /nfs/dbraw/zinc/26/03/80/186260380.db2.gz LSZOYEARAYMPKS-UHFFFAOYSA-N 0 3 254.337 2.425 10 0 CEAEHN NC(=S)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000109442617 186252700 /nfs/dbraw/zinc/25/27/00/186252700.db2.gz QKKJJGXUTQXMFR-UHFFFAOYSA-N 0 3 299.443 2.244 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(CCC(C)C)CC1 ZINC000109470058 186254017 /nfs/dbraw/zinc/25/40/17/186254017.db2.gz YQQBJLQMYWUXCB-CYBMUJFWSA-N 0 3 271.474 2.105 10 0 CEAEHN Cc1nc(N2CC[C@H](N3CCCCC3)C2)sc1CO ZINC000110276245 186289317 /nfs/dbraw/zinc/28/93/17/186289317.db2.gz HTWVXXZFMPESTE-LBPRGKRZSA-N 0 3 281.425 2.008 10 0 CEAEHN CCOc1cc(-c2nc(CC)c(C)c(NN)n2)ccc1O ZINC000110477610 186299558 /nfs/dbraw/zinc/29/95/58/186299558.db2.gz NQNCGJPTGHZBQS-UHFFFAOYSA-N 0 3 288.351 2.404 10 0 CEAEHN COCCN(C)CCNc1cc(OC(C)C)c(F)cc1N ZINC000110641192 186307602 /nfs/dbraw/zinc/30/76/02/186307602.db2.gz WNLVWKYCMYFLCT-UHFFFAOYSA-N 0 3 299.390 2.185 10 0 CEAEHN CCNCc1cc(CN2CCC[C@H](C)CC2)on1 ZINC000110812636 186326443 /nfs/dbraw/zinc/32/64/43/186326443.db2.gz CCUQSCAFUXKSCM-LBPRGKRZSA-N 0 3 251.374 2.406 10 0 CEAEHN CCCN[C@](C)(CN(C)CC1CCCC1)C(=O)OCC ZINC000110840490 186328369 /nfs/dbraw/zinc/32/83/69/186328369.db2.gz FGMGUTHQCJTVPL-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@](C)(CN(C)CC1CCCC1)C(=O)OCC ZINC000110840928 186328852 /nfs/dbraw/zinc/32/88/52/186328852.db2.gz LSJFMEOOYTWJCG-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN(CC)C(=O)[C@@H](CN)Cc1ccc(C)c(F)c1 ZINC000110974662 186337214 /nfs/dbraw/zinc/33/72/14/186337214.db2.gz RZZOMVMVHLMUJQ-CYBMUJFWSA-N 0 3 266.360 2.120 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(N)c3cccnc23)CCN1C ZINC000110703584 186314791 /nfs/dbraw/zinc/31/47/91/186314791.db2.gz AVTQCERTNFZYJO-CQSZACIVSA-N 0 3 284.407 2.343 10 0 CEAEHN CC[C@H]1CN(Cc2c3ccccc3oc2CN)CCN1C ZINC000110753590 186320738 /nfs/dbraw/zinc/32/07/38/186320738.db2.gz CFYRIYSUBRVJBQ-ZDUSSCGKSA-N 0 3 287.407 2.418 10 0 CEAEHN CCCc1nc(N2CCN(C)C(C)(C)C2)sc1CN ZINC000110760348 186322393 /nfs/dbraw/zinc/32/23/93/186322393.db2.gz LGPOEXYYHNNFJB-UHFFFAOYSA-N 0 3 282.457 2.085 10 0 CEAEHN CC[C@@H]1CN(c2nc(C(C)(C)C)c(CN)s2)CCN1C ZINC000110760233 186322915 /nfs/dbraw/zinc/32/29/15/186322915.db2.gz KBBQACVXTPDVBL-LLVKDONJSA-N 0 3 296.484 2.430 10 0 CEAEHN Nc1cccc(Cl)c1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000111012841 186343549 /nfs/dbraw/zinc/34/35/49/186343549.db2.gz AWLHSROZHUKIAK-LLVKDONJSA-N 0 3 293.798 2.233 10 0 CEAEHN NC(=O)c1ccc(F)c(CNC[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111086816 186351523 /nfs/dbraw/zinc/35/15/23/186351523.db2.gz BNFCFLVTSUHMEY-DMDPSCGWSA-N 0 3 276.355 2.450 10 0 CEAEHN CCNCc1ccc(CN(CC)CCOCC)o1 ZINC000111123764 186354806 /nfs/dbraw/zinc/35/48/06/186354806.db2.gz MWTCUWLXMQRTBF-UHFFFAOYSA-N 0 3 254.374 2.248 10 0 CEAEHN CCOCCN(CC)CCOc1ccc(C(N)=S)cc1 ZINC000111119373 186354823 /nfs/dbraw/zinc/35/48/23/186354823.db2.gz FNOLJCAMTIMEKP-UHFFFAOYSA-N 0 3 296.436 2.058 10 0 CEAEHN C[C@H](C(=O)c1ccc(F)cc1F)N(C)CCN(C)C ZINC000111139645 186357775 /nfs/dbraw/zinc/35/77/75/186357775.db2.gz JDVJKUCJQYJHCD-SNVBAGLBSA-N 0 3 270.323 2.029 10 0 CEAEHN CN(Cc1cc(C(N)=S)ccc1F)CC1CCOCC1 ZINC000111163248 186363776 /nfs/dbraw/zinc/36/37/76/186363776.db2.gz JNMXZAFGYBAWAJ-UHFFFAOYSA-N 0 3 296.411 2.318 10 0 CEAEHN NCc1ccccc1CNC(=O)c1ccc2c(c1)COC2 ZINC000111306371 186395249 /nfs/dbraw/zinc/39/52/49/186395249.db2.gz BLFWRYQIFWNUSS-UHFFFAOYSA-N 0 3 282.343 2.106 10 0 CEAEHN CO[C@H]1CCC[C@H]1NCc1nc2ccccc2n1C ZINC000111233995 186373350 /nfs/dbraw/zinc/37/33/50/186373350.db2.gz OSYHLJQRYQGCSD-OCCSQVGLSA-N 0 3 259.353 2.230 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NCc1nc2ccccc2n1C ZINC000111233938 186373939 /nfs/dbraw/zinc/37/39/39/186373939.db2.gz CJKBHRDGFHWINJ-CQSZACIVSA-N 0 3 274.412 2.249 10 0 CEAEHN C[C@H](CN1CCCC1)NCc1nc2ccccc2n1C ZINC000111233936 186373950 /nfs/dbraw/zinc/37/39/50/186373950.db2.gz IEEXUPNLFKZRRG-CYBMUJFWSA-N 0 3 272.396 2.147 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1ccc(F)cc1C(F)(F)F ZINC000628467533 351108283 /nfs/dbraw/zinc/10/82/83/351108283.db2.gz XUMMCKWXZTZNMT-NWDGAFQWSA-N 0 3 293.260 2.084 10 0 CEAEHN CCC[C@H](C(=O)N(CC)CCc1nccs1)N(C)C ZINC000122232263 187021838 /nfs/dbraw/zinc/02/18/38/187021838.db2.gz SMYMJUTXWNVKKC-GFCCVEGCSA-N 0 3 283.441 2.264 10 0 CEAEHN Cc1ccc(CC(=O)N[C@@H](CN(C)C)c2ccccc2)cn1 ZINC000122723722 187047896 /nfs/dbraw/zinc/04/78/96/187047896.db2.gz KKZJSPVSWMNYGG-KRWDZBQOSA-N 0 3 297.402 2.352 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)c1ncc(C)s1)N(C)C ZINC000133704123 187702905 /nfs/dbraw/zinc/70/29/05/187702905.db2.gz FLVXELQJNHSMHG-GHMZBOCLSA-N 0 3 269.414 2.359 10 0 CEAEHN C(c1nc2c(s1)CCC2)N1CCN2CCCC[C@@H]2C1 ZINC000678820781 539919644 /nfs/dbraw/zinc/91/96/44/539919644.db2.gz SGCBNYZMYUYUAV-GFCCVEGCSA-N 0 3 277.437 2.302 10 0 CEAEHN CN(CCOCc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000154429799 188141015 /nfs/dbraw/zinc/14/10/15/188141015.db2.gz TUVYLKLTFCAZBD-INIZCTEOSA-N 0 3 295.423 2.311 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC000171508532 188740105 /nfs/dbraw/zinc/74/01/05/188740105.db2.gz XWDPVWCHFQUXQC-LBPRGKRZSA-N 0 3 268.307 2.400 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(C2CCC2)=C[C@@H](N)C1 ZINC000675077934 540118928 /nfs/dbraw/zinc/11/89/28/540118928.db2.gz KERRCMOIUCEQSJ-GFCCVEGCSA-N 0 3 252.358 2.291 10 0 CEAEHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271805161 191338796 /nfs/dbraw/zinc/33/87/96/191338796.db2.gz YDLPRPJVKXGGTA-QKCSRTOESA-N 0 3 282.409 2.173 10 0 CEAEHN CC(C)[C@@H](NCc1cccc2ccccc21)C(N)=O ZINC000223766198 540161306 /nfs/dbraw/zinc/16/13/06/540161306.db2.gz VEIHVCPIBGLUHX-OAHLLOKOSA-N 0 3 256.349 2.439 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H]1Cc2ccccc21)N(C)C ZINC000154628048 540187967 /nfs/dbraw/zinc/18/79/67/540187967.db2.gz PHJHSHNDRDLPLS-UKRRQHHQSA-N 0 3 260.381 2.173 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H]1Cc2ccccc21)N(C)C ZINC000154627727 540187987 /nfs/dbraw/zinc/18/79/87/540187987.db2.gz PHJHSHNDRDLPLS-ZFWWWQNUSA-N 0 3 260.381 2.173 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)c1ccc(OC)cc1 ZINC000163542316 540216958 /nfs/dbraw/zinc/21/69/58/540216958.db2.gz TXYVCMBVOIFADK-GXFFZTMASA-N 0 3 250.342 2.031 10 0 CEAEHN C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)NCCS2 ZINC000575511552 366292837 /nfs/dbraw/zinc/29/28/37/366292837.db2.gz FWZMUZXZIWTLMY-MFKMUULPSA-N 0 3 272.414 2.439 10 0 CEAEHN C[C@H]1C[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000075978034 363503742 /nfs/dbraw/zinc/50/37/42/363503742.db2.gz WDVQJMKVSJIYDY-HOCLYGCPSA-N 0 3 287.407 2.312 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)C1CCOCC1 ZINC000134816653 366363394 /nfs/dbraw/zinc/36/33/94/366363394.db2.gz COANYTGBUUCECG-DZGCQCFKSA-N 0 3 299.459 2.077 10 0 CEAEHN CC(C)CN(CCN(C)C)C(=O)N[C@H](C)C(C)C ZINC000079122214 363580125 /nfs/dbraw/zinc/58/01/25/363580125.db2.gz YEVQOVXUYPZIEU-CYBMUJFWSA-N 0 3 257.422 2.260 10 0 CEAEHN Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000155508161 540297973 /nfs/dbraw/zinc/29/79/73/540297973.db2.gz BJKGVQUROKPPCD-COPLHBTASA-N 0 3 293.411 2.240 10 0 CEAEHN OCC[C@@H]1CCC[C@@H]1NCc1nc2cccnc2s1 ZINC000329211033 202234731 /nfs/dbraw/zinc/23/47/31/202234731.db2.gz YZXVIFVALJEABD-QWRGUYRKSA-N 0 3 277.393 2.332 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2ccccc2)O1 ZINC000151038572 366613626 /nfs/dbraw/zinc/61/36/26/366613626.db2.gz UMHBTCXHENZIPU-GDBMZVCRSA-N 0 3 290.407 2.144 10 0 CEAEHN CCC[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000673849751 540700319 /nfs/dbraw/zinc/70/03/19/540700319.db2.gz XLRSIKPPFCSGAT-OLZOCXBDSA-N 0 3 255.406 2.301 10 0 CEAEHN Cc1cnc(CN2CCC[C@@H]2Cn2ccnc2C)o1 ZINC000178288382 189103320 /nfs/dbraw/zinc/10/33/20/189103320.db2.gz MKKCMMDBMARJCV-CYBMUJFWSA-N 0 3 260.341 2.153 10 0 CEAEHN C[C@@H](C(=O)N[C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000178398786 189113445 /nfs/dbraw/zinc/11/34/45/189113445.db2.gz MYVBBYMURILNNX-IUODEOHRSA-N 0 3 260.381 2.452 10 0 CEAEHN Cc1cccc(C(=O)N2CCO[C@H](CN(C)C)C2)c1Cl ZINC000179098495 189169354 /nfs/dbraw/zinc/16/93/54/189169354.db2.gz LCCCMQZYFVZLQB-GFCCVEGCSA-N 0 3 296.798 2.051 10 0 CEAEHN COc1ccc([C@@H](C)N[C@H]2CCc3ncnn3C2)c(F)c1 ZINC000180605354 189265434 /nfs/dbraw/zinc/26/54/34/189265434.db2.gz RFVLNEDWJPVOOH-MNOVXSKESA-N 0 3 290.342 2.091 10 0 CEAEHN O=C(Nc1ccc2c(c1)OCCNC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638671756 370676483 /nfs/dbraw/zinc/67/64/83/370676483.db2.gz UELFNDPQJJBXEJ-CLLJXQQHSA-N 0 3 272.348 2.153 10 0 CEAEHN CC[C@H](O)CN1CCN(CCCc2ccc(C)cc2)CC1 ZINC000181922620 189310176 /nfs/dbraw/zinc/31/01/76/189310176.db2.gz DNQHQMQKWQOTDZ-SFHVURJKSA-N 0 3 290.451 2.316 10 0 CEAEHN COc1cc(CNc2ccncc2)cc(OC)c1O ZINC000083439637 363774015 /nfs/dbraw/zinc/77/40/15/363774015.db2.gz YJMONWXKJXYVRI-UHFFFAOYSA-N 0 3 260.293 2.417 10 0 CEAEHN CC1(C)CN(C[C@@H](O)COCc2ccccc2)CCS1 ZINC000083690610 363783840 /nfs/dbraw/zinc/78/38/40/363783840.db2.gz SGHGKLOGCDQRRA-OAHLLOKOSA-N 0 3 295.448 2.392 10 0 CEAEHN COC(=O)c1ccc(CN[C@H](C)[C@@H]2CCCO2)s1 ZINC000183177491 189348886 /nfs/dbraw/zinc/34/88/86/189348886.db2.gz ILXHJUKBSVQNLC-KOLCDFICSA-N 0 3 269.366 2.192 10 0 CEAEHN COC(=O)c1ccc(CN[C@@H](C)[C@@H]2CCCO2)s1 ZINC000183177477 189349056 /nfs/dbraw/zinc/34/90/56/189349056.db2.gz ILXHJUKBSVQNLC-ONGXEEELSA-N 0 3 269.366 2.192 10 0 CEAEHN Cc1ccccc1CN(C)C(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000183191755 189349659 /nfs/dbraw/zinc/34/96/59/189349659.db2.gz ANVVPXAMJNEQRX-GDBMZVCRSA-N 0 3 290.407 2.111 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)N2CCN(C3CCC(C)CC3)CC2)O1 ZINC000155078911 366805893 /nfs/dbraw/zinc/80/58/93/366805893.db2.gz XSPBIZSLOITKGX-GYTBAZASSA-N 0 3 294.439 2.277 10 0 CEAEHN C[C@H](CN[C@@H](C)c1cccc(F)c1F)N1CCOCC1 ZINC000183216470 189350355 /nfs/dbraw/zinc/35/03/55/189350355.db2.gz GUPPDTOCSBNWAH-NEPJUHHUSA-N 0 3 284.350 2.336 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1cccc(F)c1F)N1CCOCC1 ZINC000183216450 189350587 /nfs/dbraw/zinc/35/05/87/189350587.db2.gz GUPPDTOCSBNWAH-RYUDHWBXSA-N 0 3 284.350 2.336 10 0 CEAEHN Cc1cccnc1/C=C/C(=O)N[C@H](CC(C)C)CN(C)C ZINC000183457794 189359813 /nfs/dbraw/zinc/35/98/13/189359813.db2.gz PDPDBXRTOFDRBF-XVJNWHFHSA-N 0 3 289.423 2.496 10 0 CEAEHN CN(C)CCO[C@@H](c1cccs1)c1ccnn1C ZINC000013914281 361443797 /nfs/dbraw/zinc/44/37/97/361443797.db2.gz CIJATQMMNKXTJJ-CYBMUJFWSA-N 0 3 265.382 2.149 10 0 CEAEHN COc1ccc([C@]23CCN(C)[C@@H]2CC(=O)CC3)cc1OC ZINC000014589287 361458104 /nfs/dbraw/zinc/45/81/04/361458104.db2.gz DAHIQPJTGIHDGO-SJORKVTESA-N 0 3 289.375 2.399 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](C)c1ncc(C)s1)N(C)C ZINC000184017045 189374621 /nfs/dbraw/zinc/37/46/21/189374621.db2.gz YLJKHXLKMVAOLM-JQWIXIFHSA-N 0 3 283.441 2.402 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088478868 363901304 /nfs/dbraw/zinc/90/13/04/363901304.db2.gz MCQZGLJTZIRLBC-CYBMUJFWSA-N 0 3 281.400 2.397 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)c1cc(C)[nH]c1C ZINC000092632955 364092659 /nfs/dbraw/zinc/09/26/59/364092659.db2.gz GSNQJJGNPDNBPH-AWEZNQCLSA-N 0 3 277.412 2.230 10 0 CEAEHN Cc1c(CNC[C@H](c2cccs2)N(C)C)cnn1C ZINC000093649345 364208565 /nfs/dbraw/zinc/20/85/65/364208565.db2.gz PUFLXNNNJLLKMJ-CYBMUJFWSA-N 0 3 278.425 2.183 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)CCCO)c1C ZINC000094942437 364311021 /nfs/dbraw/zinc/31/10/21/364311021.db2.gz LNZACWCSQXPJSB-MNOVXSKESA-N 0 3 253.390 2.331 10 0 CEAEHN Cc1ccc([O-])c(CN[C@H](CN(C)C)c2ccccc2)n1 ZINC000103341270 364642362 /nfs/dbraw/zinc/64/23/62/364642362.db2.gz JVPDPTJZFMSSGH-MRXNPFEDSA-N 0 3 285.391 2.488 10 0 CEAEHN Cc1ccc(O)c(CN[C@H](CN(C)C)c2ccccc2)n1 ZINC000103341270 364642367 /nfs/dbraw/zinc/64/23/67/364642367.db2.gz JVPDPTJZFMSSGH-MRXNPFEDSA-N 0 3 285.391 2.488 10 0 CEAEHN COC[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000103435555 364653711 /nfs/dbraw/zinc/65/37/11/364653711.db2.gz BMOGGRCFAOUVIK-OAHLLOKOSA-N 0 3 292.423 2.168 10 0 CEAEHN CCN(CC1CC1)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000112213508 364779723 /nfs/dbraw/zinc/77/97/23/364779723.db2.gz YEKMFOBXJSNZFO-CQSZACIVSA-N 0 3 269.433 2.404 10 0 CEAEHN COc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)ccc1C ZINC000113227873 364877480 /nfs/dbraw/zinc/87/74/80/364877480.db2.gz HXLVGQIOORKBOM-ZFWWWQNUSA-N 0 3 288.391 2.312 10 0 CEAEHN COc1ccsc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000113228523 364878735 /nfs/dbraw/zinc/87/87/35/364878735.db2.gz QMCZRPJYNUEBPQ-GHMZBOCLSA-N 0 3 280.393 2.065 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)N1CCS[C@H](C)C1 ZINC000113403992 364892020 /nfs/dbraw/zinc/89/20/20/364892020.db2.gz LFAGVKYJHJGKTJ-ZIAGYGMSSA-N 0 3 299.484 2.398 10 0 CEAEHN C[C@H](CC1CCCC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000114328156 364936678 /nfs/dbraw/zinc/93/66/78/364936678.db2.gz TWUWPUNLXPLHON-OCCSQVGLSA-N 0 3 252.402 2.365 10 0 CEAEHN C[C@@H](CC(=O)N1CC[C@H](N(C)C)C1)c1cccc(F)c1 ZINC000116190123 365042043 /nfs/dbraw/zinc/04/20/43/365042043.db2.gz MYCQPPMOXDNFGZ-WFASDCNBSA-N 0 3 278.371 2.482 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)c2ccc3ccccc3c2)CCO1 ZINC000116792363 365068516 /nfs/dbraw/zinc/06/85/16/365068516.db2.gz MCXMIBJOQYHDFG-KRWDZBQOSA-N 0 3 298.386 2.242 10 0 CEAEHN C[C@H]1SCCN(C[C@@H](O)COCc2ccccc2)[C@H]1C ZINC000118534439 365162897 /nfs/dbraw/zinc/16/28/97/365162897.db2.gz VTROOSJAPURTND-SQWLQELKSA-N 0 3 295.448 2.390 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(c2cccc(C)c2)CC1 ZINC000119396152 365266868 /nfs/dbraw/zinc/26/68/68/365266868.db2.gz VFEPRZHQGOOSIO-MRXNPFEDSA-N 0 3 262.397 2.278 10 0 CEAEHN CCc1nnc(CN[C@@H]2CCCCC2(C)C)n1C ZINC000119852073 365333335 /nfs/dbraw/zinc/33/33/35/365333335.db2.gz LBYXNXFEQPOMNM-LLVKDONJSA-N 0 3 250.390 2.436 10 0 CEAEHN CC(=O)Nc1ccccc1CN1CCN2CCCC[C@H]2C1 ZINC000245572457 370842901 /nfs/dbraw/zinc/84/29/01/370842901.db2.gz YLBIFRDOEDNLSA-INIZCTEOSA-N 0 3 287.407 2.315 10 0 CEAEHN Cc1cc(C)cc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000171069679 367471272 /nfs/dbraw/zinc/47/12/72/367471272.db2.gz ISJWCNHSWRXVDH-CQSZACIVSA-N 0 3 261.369 2.471 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)c2ccccc2n1 ZINC000170862641 367434122 /nfs/dbraw/zinc/43/41/22/367434122.db2.gz QCFCERUFQPSBBN-ZDUSSCGKSA-N 0 3 283.375 2.319 10 0 CEAEHN CC(C)Cc1nc(C(=O)N2CC[C@@H](N(C)C)C2)cs1 ZINC000170864393 367435824 /nfs/dbraw/zinc/43/58/24/367435824.db2.gz RXOYOARWTGYRGO-LLVKDONJSA-N 0 3 281.425 2.118 10 0 CEAEHN C[C@@H](CC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1F ZINC000170868335 367436071 /nfs/dbraw/zinc/43/60/71/367436071.db2.gz CHBQYGHWKJDLNX-QWHCGFSZSA-N 0 3 278.371 2.482 10 0 CEAEHN C[C@H](CC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1F ZINC000170868338 367436765 /nfs/dbraw/zinc/43/67/65/367436765.db2.gz CHBQYGHWKJDLNX-CHWSQXEVSA-N 0 3 278.371 2.482 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(CCCOC(C)C)C1 ZINC000171501318 367555932 /nfs/dbraw/zinc/55/59/32/367555932.db2.gz OQUGJYFGFVWMHE-AWEZNQCLSA-N 0 3 270.417 2.182 10 0 CEAEHN Cc1cc(NC(=O)N2CC[C@@H](N(C)C)C2)ccc1F ZINC000171519393 367559058 /nfs/dbraw/zinc/55/90/58/367559058.db2.gz UYGJEMNEOZXPHK-GFCCVEGCSA-N 0 3 265.332 2.302 10 0 CEAEHN C[C@@H](NC(=O)[C@H](C)N)C12CC3CC(CC(C3)C1)C2 ZINC000019475022 296099195 /nfs/dbraw/zinc/09/91/95/296099195.db2.gz SOPGEVJJXMXDGC-SHLZFGTKSA-N 0 3 250.386 2.055 10 0 CEAEHN COCc1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171888727 367634111 /nfs/dbraw/zinc/63/41/11/367634111.db2.gz QLXTXIVMMXIJOS-OAHLLOKOSA-N 0 3 289.379 2.145 10 0 CEAEHN CC[C@H](C(=O)OC)N1CC[C@H](CNc2cccc(C)n2)C1 ZINC000172434064 367742177 /nfs/dbraw/zinc/74/21/77/367742177.db2.gz ZWSOMUCAZAZOAG-ZIAGYGMSSA-N 0 3 291.395 2.075 10 0 CEAEHN C[C@H]1CSCCN1C[C@@H](O)COCc1ccccc1 ZINC000172435932 367743412 /nfs/dbraw/zinc/74/34/12/367743412.db2.gz ASDVCNUWFPXZOI-DZGCQCFKSA-N 0 3 281.421 2.001 10 0 CEAEHN CC[C@H]1CN(Cc2cccs2)CCN1C[C@H](C)O ZINC000245789635 370874385 /nfs/dbraw/zinc/87/43/85/370874385.db2.gz VXQRFPHWPVAYGI-STQMWFEESA-N 0 3 268.426 2.025 10 0 CEAEHN Cc1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1C ZINC000245807190 370875343 /nfs/dbraw/zinc/87/53/43/370875343.db2.gz YURQGBQQXWWCIV-HOTGVXAUSA-N 0 3 276.424 2.190 10 0 CEAEHN C[C@H](N[C@@H](C)c1cccs1)C(=O)NC[C@@H]1CCCO1 ZINC000172870919 367832742 /nfs/dbraw/zinc/83/27/42/367832742.db2.gz DKYAFTAGBYBYID-SRVKXCTJSA-N 0 3 282.409 2.082 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1scnc1C ZINC000174986320 368086143 /nfs/dbraw/zinc/08/61/43/368086143.db2.gz IFTUPMZZJHMZJJ-VXGBXAGGSA-N 0 3 279.409 2.150 10 0 CEAEHN Cc1ccccc1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000175899460 368188626 /nfs/dbraw/zinc/18/86/26/368188626.db2.gz XHMPYRLITJQOAV-MRXNPFEDSA-N 0 3 274.408 2.480 10 0 CEAEHN CC[C@H](OC1CCCCC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177549929 368273320 /nfs/dbraw/zinc/27/33/20/368273320.db2.gz RPJKGDKXRPDZQQ-ZBFHGGJFSA-N 0 3 294.439 2.421 10 0 CEAEHN C[C@H](Cc1ccccc1)CN1CCO[C@H](CN(C)C)C1 ZINC000182026403 368516608 /nfs/dbraw/zinc/51/66/08/368516608.db2.gz QKQGWDPRNOVQRK-NVXWUHKLSA-N 0 3 276.424 2.128 10 0 CEAEHN CCc1cnc(CNC2CCN(C(=O)C(C)C)CC2)s1 ZINC000346207649 368592429 /nfs/dbraw/zinc/59/24/29/368592429.db2.gz JUJCPKPNMLZPIA-UHFFFAOYSA-N 0 3 295.452 2.442 10 0 CEAEHN C[C@@H](c1nc(C2CC2)no1)N1CCN2CCCC[C@H]2C1 ZINC000246184273 370922960 /nfs/dbraw/zinc/92/29/60/370922960.db2.gz LBWWBGNYZQMMSP-AAEUAGOBSA-N 0 3 276.384 2.178 10 0 CEAEHN CSCCCCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000186159139 368927716 /nfs/dbraw/zinc/92/77/16/368927716.db2.gz DEWDCRAIQUORRO-ZDUSSCGKSA-N 0 3 285.457 2.009 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2cncs2)C12CCOCC2 ZINC000186503958 368984449 /nfs/dbraw/zinc/98/44/49/368984449.db2.gz UWGCSULZLDMMKV-QWHCGFSZSA-N 0 3 282.409 2.207 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2cncs2)C12CCOCC2 ZINC000186504010 368984713 /nfs/dbraw/zinc/98/47/13/368984713.db2.gz UWGCSULZLDMMKV-OLZOCXBDSA-N 0 3 282.409 2.207 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@@H]2CCCS(=O)(=O)CC2)o1 ZINC000634950434 368985943 /nfs/dbraw/zinc/98/59/43/368985943.db2.gz RQGILZRVKRWQEQ-VXGBXAGGSA-N 0 3 271.382 2.206 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@@H](C)C2CCS(=O)(=O)CC2)o1 ZINC000186934536 369071784 /nfs/dbraw/zinc/07/17/84/369071784.db2.gz WKBDMPZERUUDTD-NWDGAFQWSA-N 0 3 285.409 2.452 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000246645634 370988648 /nfs/dbraw/zinc/98/86/48/370988648.db2.gz WDXRJKYPNNURQR-KBPBESRZSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000246645634 370988652 /nfs/dbraw/zinc/98/86/52/370988652.db2.gz WDXRJKYPNNURQR-KBPBESRZSA-N 0 3 288.391 2.399 10 0 CEAEHN CC(C)n1ncc2cc(CN[C@H]3CCCC[C@@H]3O)cnc21 ZINC000189794042 369567855 /nfs/dbraw/zinc/56/78/55/369567855.db2.gz QZNVPXPWMZQBJZ-GJZGRUSLSA-N 0 3 288.395 2.405 10 0 CEAEHN C[C@H]1OCCC[C@H]1C(=O)NCc1ccccc1CN(C)C ZINC000191159514 369686978 /nfs/dbraw/zinc/68/69/78/369686978.db2.gz JVVYSORZIXSHKF-CZUORRHYSA-N 0 3 290.407 2.180 10 0 CEAEHN C[C@@H]1CC[C@H](CN2C[C@H](CO)[C@H](c3ccsc3)C2)O1 ZINC000191287121 369697948 /nfs/dbraw/zinc/69/79/48/369697948.db2.gz VWXJCHWFUFFGRD-NGFQHRJXSA-N 0 3 281.421 2.323 10 0 CEAEHN CN(C)C(=O)[C@H]1CCCN1CCSCc1ccccc1 ZINC000192536119 369825999 /nfs/dbraw/zinc/82/59/99/369825999.db2.gz MPKTZYSSNOGAGN-OAHLLOKOSA-N 0 3 292.448 2.472 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2cc(Cl)cs2)CCO1 ZINC000194295516 370022536 /nfs/dbraw/zinc/02/25/36/370022536.db2.gz PVLAJDNKCAUEAJ-NSHDSACASA-N 0 3 274.817 2.164 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000195222919 370115887 /nfs/dbraw/zinc/11/58/87/370115887.db2.gz ILOPPESITFAGIW-QLFBSQMISA-N 0 3 291.370 2.027 10 0 CEAEHN CC(C)(C)OC(=O)NCCN[C@@H]1CCc2c1cccc2O ZINC000222094390 370248902 /nfs/dbraw/zinc/24/89/02/370248902.db2.gz BVGUUVXDJPRZKY-CYBMUJFWSA-N 0 3 292.379 2.494 10 0 CEAEHN CC(C)[C@@H]1CNCCN1c1cnc2ccccc2n1 ZINC000217812889 370201915 /nfs/dbraw/zinc/20/19/15/370201915.db2.gz VSVMYEVRIOUTHJ-AWEZNQCLSA-N 0 3 256.353 2.064 10 0 CEAEHN CCN[C@H](C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000638095890 370295491 /nfs/dbraw/zinc/29/54/91/370295491.db2.gz JOMVZKIJWYDAFK-MNOVXSKESA-N 0 3 267.398 2.195 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(NC)c1 ZINC000638109891 370306837 /nfs/dbraw/zinc/30/68/37/370306837.db2.gz XFIGZDGEWPRKHY-OAHLLOKOSA-N 0 3 275.396 2.285 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccncc1F)c1ccccc1 ZINC000226215684 370330208 /nfs/dbraw/zinc/33/02/08/370330208.db2.gz LPOHASUNAQLUFB-OAHLLOKOSA-N 0 3 287.338 2.253 10 0 CEAEHN CC[C@H](NCCn1cc(C)cn1)c1ccc(F)cn1 ZINC000226611682 370348598 /nfs/dbraw/zinc/34/85/98/370348598.db2.gz RFBGXLDQKVECIA-ZDUSSCGKSA-N 0 3 262.332 2.467 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000638377031 370484644 /nfs/dbraw/zinc/48/46/44/370484644.db2.gz QWXQWTMKAKGPHR-KXUCPTDWSA-N 0 3 266.307 2.222 10 0 CEAEHN Cc1ccc(OCC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000247029620 371050647 /nfs/dbraw/zinc/05/06/47/371050647.db2.gz HRJDCIGONOMLNC-ZBFHGGJFSA-N 0 3 290.407 2.219 10 0 CEAEHN Clc1ncc(CN2CCN3CCC[C@H]3C2)s1 ZINC000247066006 371057610 /nfs/dbraw/zinc/05/76/10/371057610.db2.gz PNONIFPDAMCVDW-VIFPVBQESA-N 0 3 257.790 2.077 10 0 CEAEHN C[C@H](Oc1ccccc1)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000247170934 371073997 /nfs/dbraw/zinc/07/39/97/371073997.db2.gz KSHJKSDZCYOMAT-QLFBSQMISA-N 0 3 288.391 2.149 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(C)c2)CCN1C[C@H](C)O ZINC000247738357 371139097 /nfs/dbraw/zinc/13/90/97/371139097.db2.gz NFOQPDRYYLZYMR-RDJZCZTQSA-N 0 3 276.424 2.272 10 0 CEAEHN c1ccc(-c2nc(CN3CCN4CCC[C@H]4C3)no2)cc1 ZINC000247372616 371100537 /nfs/dbraw/zinc/10/05/37/371100537.db2.gz UVVNNOAQKXADFV-AWEZNQCLSA-N 0 3 284.363 2.017 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H](C)c2ccccc2)C[C@H]1C ZINC000247872334 371143671 /nfs/dbraw/zinc/14/36/71/371143671.db2.gz XTGZEVCWMGMWIW-ILXRZTDVSA-N 0 3 262.397 2.135 10 0 CEAEHN CCCN(CC(F)F)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247385436 371101869 /nfs/dbraw/zinc/10/18/69/371101869.db2.gz QAVKUTRUCZKHHV-VXGBXAGGSA-N 0 3 291.386 2.402 10 0 CEAEHN CCS[C@@H](C)c1noc(CN2CCN3CCC[C@H]3C2)n1 ZINC000248215344 371170153 /nfs/dbraw/zinc/17/01/53/371170153.db2.gz ZOOPEZBGHQVXOU-RYUDHWBXSA-N 0 3 296.440 2.164 10 0 CEAEHN COc1ccc(OC)c(CN2CCN3CCCC[C@H]3C2)c1 ZINC000248358941 371179125 /nfs/dbraw/zinc/17/91/25/371179125.db2.gz RJKXRRWEDSUFIA-HNNXBMFYSA-N 0 3 290.407 2.374 10 0 CEAEHN c1ccc(-c2noc(CN3CCN4CCCC[C@H]4C3)n2)cc1 ZINC000248366569 371180642 /nfs/dbraw/zinc/18/06/42/371180642.db2.gz SHEXAOHBQPJGNW-HNNXBMFYSA-N 0 3 298.390 2.407 10 0 CEAEHN CCn1nccc1CN1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249981138 371372920 /nfs/dbraw/zinc/37/29/20/371372920.db2.gz LHSORUMIWSUCKG-DZGCQCFKSA-N 0 3 291.420 2.172 10 0 CEAEHN O=C(CCCN1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000250245669 371381512 /nfs/dbraw/zinc/38/15/12/371381512.db2.gz TVQQCEJKCJURCU-INIZCTEOSA-N 0 3 272.392 2.430 10 0 CEAEHN CCC(CC)CN(CC)C(=O)[C@H](N)C1CCOCC1 ZINC000261705296 371706146 /nfs/dbraw/zinc/70/61/46/371706146.db2.gz IKOUEHSUGCDVMS-CQSZACIVSA-N 0 3 270.417 2.025 10 0 CEAEHN CC(C)Cn1cc(N[C@@H]2CCC[C@H]2[C@@H]2COCCN2)cn1 ZINC000261952286 371782281 /nfs/dbraw/zinc/78/22/81/371782281.db2.gz ONKNBQRYRAUISI-OAGGEKHMSA-N 0 3 292.427 2.108 10 0 CEAEHN CN(Cc1ccc2ccccc2c1)C(=O)C1(N)CCOCC1 ZINC000262139265 371828922 /nfs/dbraw/zinc/82/89/22/371828922.db2.gz MILCAXHHKKKHFL-UHFFFAOYSA-N 0 3 298.386 2.306 10 0 CEAEHN CCOC(=O)c1cccnc1NCc1ccc2c(c1)CNC2 ZINC000262526165 371871900 /nfs/dbraw/zinc/87/19/00/371871900.db2.gz OWDFDPAGARQHQT-UHFFFAOYSA-N 0 3 297.358 2.474 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)c1cscn1 ZINC000069052688 284328421 /nfs/dbraw/zinc/32/84/21/284328421.db2.gz LXSIETRXMICIBU-UHFFFAOYSA-N 0 3 259.334 2.041 10 0 CEAEHN CC(C)CCN(C(=O)[C@H]1CNCCOC1)C1CCCC1 ZINC000643642829 373228879 /nfs/dbraw/zinc/22/88/79/373228879.db2.gz YZGODNRGARHVCA-AWEZNQCLSA-N 0 3 282.428 2.040 10 0 CEAEHN Cc1ccc(CN[C@@H]2C[C@H]2CO)cc1Br ZINC000378670773 321824048 /nfs/dbraw/zinc/82/40/48/321824048.db2.gz CYGANKTUPHMKQL-CMPLNLGQSA-N 0 3 270.170 2.228 10 0 CEAEHN CCN(CCO)CCNc1nc2ccccc2s1 ZINC000274374073 373897830 /nfs/dbraw/zinc/89/78/30/373897830.db2.gz HFRBJXNZKWDMEN-UHFFFAOYSA-N 0 3 265.382 2.022 10 0 CEAEHN CC1(C)CN(CCC2CS(=O)(=O)C2)CC(C)(C)C1 ZINC000334248821 206252682 /nfs/dbraw/zinc/25/26/82/206252682.db2.gz REDJUNUBPLHKMK-UHFFFAOYSA-N 0 3 273.442 2.179 10 0 CEAEHN CO[C@@](C)(CNCc1cnn(C)c1C)c1ccccc1 ZINC000384325526 375210417 /nfs/dbraw/zinc/21/04/17/375210417.db2.gz RJZFVYKRRSBZAM-INIZCTEOSA-N 0 3 273.380 2.380 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cc(Cl)ccc1F ZINC000282212540 375429875 /nfs/dbraw/zinc/42/98/75/375429875.db2.gz DMBASZHEDZPNTF-PRHODGIISA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000282232106 375433689 /nfs/dbraw/zinc/43/36/89/375433689.db2.gz FPEBXCWQQUVXCG-PRHODGIISA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cnc(C(C)(C)C)s1 ZINC000282264350 375443945 /nfs/dbraw/zinc/44/39/45/375443945.db2.gz HGDWKAULCNOXFQ-ONGXEEELSA-N 0 3 281.425 2.197 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccccc1OC(F)F ZINC000282320344 375455703 /nfs/dbraw/zinc/45/57/03/375455703.db2.gz KZPQFELYWJRNCI-GXSJLCMTSA-N 0 3 284.306 2.045 10 0 CEAEHN Cc1nn(C)cc1CNC[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000282662692 375541888 /nfs/dbraw/zinc/54/18/88/375541888.db2.gz ISHGZOSQUCMSAM-NSHDSACASA-N 0 3 296.415 2.074 10 0 CEAEHN CCC1(CNCc2c(C)nn(C)c2OC)CCOCC1 ZINC000312473550 376718032 /nfs/dbraw/zinc/71/80/32/376718032.db2.gz HDUUVBVXDCHSFJ-UHFFFAOYSA-N 0 3 281.400 2.034 10 0 CEAEHN CCOc1ccc(OCCN2CCC[C@H](O)[C@@H]2C)cc1 ZINC000296236128 378461854 /nfs/dbraw/zinc/46/18/54/378461854.db2.gz NIHQUMOVAOCLPM-BBRMVZONSA-N 0 3 279.380 2.309 10 0 CEAEHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([O-])ccc2F)C1 ZINC000296568500 378578786 /nfs/dbraw/zinc/57/87/86/378578786.db2.gz QGRQKRMVJRIBFT-ABAIWWIYSA-N 0 3 292.354 2.088 10 0 CEAEHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([O-])ccc2F)C1 ZINC000296568500 378578789 /nfs/dbraw/zinc/57/87/89/378578789.db2.gz QGRQKRMVJRIBFT-ABAIWWIYSA-N 0 3 292.354 2.088 10 0 CEAEHN CC[C@@H](O)CN1CCN(CC(C)(C)c2ccccc2)CC1 ZINC000180163484 542261717 /nfs/dbraw/zinc/26/17/17/542261717.db2.gz MRAVZQSIQZJIHM-QGZVFWFLSA-N 0 3 290.451 2.353 10 0 CEAEHN Cc1cccc([C@H]2[C@@H](CNC3CC3)OCCN2C)c1 ZINC000070287671 184571431 /nfs/dbraw/zinc/57/14/31/184571431.db2.gz XEUDUUYNQAHRIV-CVEARBPZSA-N 0 3 260.381 2.119 10 0 CEAEHN CC(C)N1C(=O)CC[C@H](N)[C@H]1c1cc(F)ccc1F ZINC000070986804 184574158 /nfs/dbraw/zinc/57/41/58/184574158.db2.gz GFENWRUHCHQATN-GXTWGEPZSA-N 0 3 268.307 2.364 10 0 CEAEHN COc1cc(OC)cc([C@H]2[C@H](N)CCC(=O)N2C(C)C)c1 ZINC000070986956 184574680 /nfs/dbraw/zinc/57/46/80/184574680.db2.gz XKRPQMHZYBQDTQ-ZBFHGGJFSA-N 0 3 292.379 2.103 10 0 CEAEHN CCc1ccc(CN)cc1S(=O)(=O)N1CCCCCC1 ZINC000088913489 184614048 /nfs/dbraw/zinc/61/40/48/184614048.db2.gz CTRFGRHDQNMWHG-UHFFFAOYSA-N 0 3 296.436 2.272 10 0 CEAEHN CCCNCc1csc(S(=O)(=O)N(C)CCC)c1 ZINC000088947136 184614836 /nfs/dbraw/zinc/61/48/36/184614836.db2.gz UAEBVDXHAXXCQY-UHFFFAOYSA-N 0 3 290.454 2.278 10 0 CEAEHN COCC[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000101777019 285130436 /nfs/dbraw/zinc/13/04/36/285130436.db2.gz GHGACAJSRJAPSN-UKRRQHHQSA-N 0 3 293.411 2.014 10 0 CEAEHN Cc1ccc(C)c(S(=O)(=O)[C@@H]2CCCC[C@H]2N)c1 ZINC000081922287 177896159 /nfs/dbraw/zinc/89/61/59/177896159.db2.gz PKCIYDLQUQXAIL-CHWSQXEVSA-N 0 3 267.394 2.347 10 0 CEAEHN COc1ccc([C@H](N)CSc2cnccn2)cc1 ZINC000081885717 177877124 /nfs/dbraw/zinc/87/71/24/177877124.db2.gz AXMYISNWWUUVKF-GFCCVEGCSA-N 0 3 261.350 2.277 10 0 CEAEHN Cc1nc(CN(C)C(=O)[C@]2(N)CCC[C@@H](C)C2)cs1 ZINC000080929466 177732169 /nfs/dbraw/zinc/73/21/69/177732169.db2.gz AFBBRVYGZNDSOM-YGRLFVJLSA-N 0 3 281.425 2.318 10 0 CEAEHN CCOc1cc2c(cc1CNCC1(CO)CC1)O[C@H](C)C2 ZINC000080247219 177631664 /nfs/dbraw/zinc/63/16/64/177631664.db2.gz NUOWWMBNZJUXHU-GFCCVEGCSA-N 0 3 291.391 2.271 10 0 CEAEHN COc1ccc([C@@H](C)NCC(C)(C)S(C)(=O)=O)cc1 ZINC000093523351 184687355 /nfs/dbraw/zinc/68/73/55/184687355.db2.gz UOPCVZJMDIIFPW-LLVKDONJSA-N 0 3 285.409 2.169 10 0 CEAEHN Cc1cccc([C@H](N)[C@H]2CN(C(C)C)CCO2)c1C ZINC000093926071 184744759 /nfs/dbraw/zinc/74/47/59/184744759.db2.gz QXEABPCRWNNVBD-CVEARBPZSA-N 0 3 262.397 2.412 10 0 CEAEHN CCNCc1ccc(OCc2cc(C)nn2CC)cn1 ZINC000094209326 184763111 /nfs/dbraw/zinc/76/31/11/184763111.db2.gz FYSKTFJQCHFDOO-UHFFFAOYSA-N 0 3 274.368 2.295 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1N[C@H]1CCSc2ccccc21 ZINC000282507663 195630129 /nfs/dbraw/zinc/63/01/29/195630129.db2.gz YPNXEUGDBJVSJM-UHTWSYAYSA-N 0 3 276.405 2.480 10 0 CEAEHN CCN1CCN(c2ccc(CO)c(C(F)(F)F)c2)CC1 ZINC000089063988 135057635 /nfs/dbraw/zinc/05/76/35/135057635.db2.gz XWDVDEPOLTZFAX-UHFFFAOYSA-N 0 3 288.313 2.340 10 0 CEAEHN CCNCc1cncc(N2CCc3sccc3C2)n1 ZINC000091418445 135069297 /nfs/dbraw/zinc/06/92/97/135069297.db2.gz BXPCWHCSXQJRFL-UHFFFAOYSA-N 0 3 274.393 2.210 10 0 CEAEHN C[C@H]1c2ccsc2CCN1c1cncc(CN)n1 ZINC000091419864 135069570 /nfs/dbraw/zinc/06/95/70/135069570.db2.gz RUIWNFIPFDXUPS-VIFPVBQESA-N 0 3 260.366 2.121 10 0 CEAEHN CCNCc1cncc(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000091422121 135070019 /nfs/dbraw/zinc/07/00/19/135070019.db2.gz DYMFVUXYSAOACA-JTQLQIEISA-N 0 3 288.317 2.365 10 0 CEAEHN Cc1cccc(COc2cccc(N3CCNCC3)c2)n1 ZINC000092432402 135076342 /nfs/dbraw/zinc/07/63/42/135076342.db2.gz ZMKPXIIUBPPHET-UHFFFAOYSA-N 0 3 283.375 2.379 10 0 CEAEHN Fc1cccc2c1ncnc2N1CCN2CCCC[C@H]2C1 ZINC000302660908 394476782 /nfs/dbraw/zinc/47/67/82/394476782.db2.gz IHIGSILFBKMYQW-LBPRGKRZSA-N 0 3 286.354 2.443 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCC[C@@H](SCC)C1 ZINC000236926936 394490438 /nfs/dbraw/zinc/49/04/38/394490438.db2.gz JSYVGZKRVUDIMV-TUAOUCFPSA-N 0 3 258.431 2.294 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](n2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000253552288 394578320 /nfs/dbraw/zinc/57/83/20/394578320.db2.gz UYPYAELOYPVIQI-SMDDNHRTSA-N 0 3 287.363 2.003 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCS[C@@H](C)[C@@H]2C)C1 ZINC000247513898 394531810 /nfs/dbraw/zinc/53/18/10/394531810.db2.gz YOAJVDVMKJYMDH-RFGFWPKPSA-N 0 3 299.484 2.251 10 0 CEAEHN CC(C)CCNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000079072299 394629938 /nfs/dbraw/zinc/62/99/38/394629938.db2.gz LVQDFMVJKIAZLX-CYBMUJFWSA-N 0 3 257.422 2.308 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000083550475 394640578 /nfs/dbraw/zinc/64/05/78/394640578.db2.gz TUBJKUGWXXMDKP-WDEREUQCSA-N 0 3 279.771 2.044 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CC1=CCCOC1 ZINC000093757760 394669251 /nfs/dbraw/zinc/66/92/51/394669251.db2.gz LAKNDQDOBQQLQR-AWEZNQCLSA-N 0 3 296.411 2.322 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000105872289 394722916 /nfs/dbraw/zinc/72/29/16/394722916.db2.gz WDKFSRRCCVLDSE-ONGXEEELSA-N 0 3 278.306 2.222 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCCC(C)(C)C)C1 ZINC000121240691 394794249 /nfs/dbraw/zinc/79/42/49/394794249.db2.gz ZQOXAVCCEGCINM-LBPRGKRZSA-N 0 3 255.406 2.158 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)Nc2ccc(F)cn2)[C@@H](C)C1 ZINC000122309798 394811753 /nfs/dbraw/zinc/81/17/53/394811753.db2.gz FKZFFZDXABVUAP-JQWIXIFHSA-N 0 3 280.347 2.071 10 0 CEAEHN CC(=O)N[C@H]1CCCN(CCCSCC(C)C)C1 ZINC000132480530 394931362 /nfs/dbraw/zinc/93/13/62/394931362.db2.gz YVWLORVPBQDEMV-AWEZNQCLSA-N 0 3 272.458 2.366 10 0 CEAEHN CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000175550984 395133329 /nfs/dbraw/zinc/13/33/29/395133329.db2.gz DMYDWDORVTZIMY-OCCSQVGLSA-N 0 3 294.370 2.146 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc(F)c(COC)c1)N(C)C ZINC000179240629 395187073 /nfs/dbraw/zinc/18/70/73/395187073.db2.gz APAFCBSEFUHXHP-OAHLLOKOSA-N 0 3 296.386 2.319 10 0 CEAEHN C[C@]1(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CCCCN1 ZINC000403251088 395274729 /nfs/dbraw/zinc/27/47/29/395274729.db2.gz HQQUNIUQASYHRM-QVHKTLOISA-N 0 3 250.386 2.071 10 0 CEAEHN C=Cn1cc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000193988841 395420600 /nfs/dbraw/zinc/42/06/00/395420600.db2.gz TYSXZUSKWCVRFN-HUUCEWRRSA-N 0 3 261.369 2.111 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000037006735 400113640 /nfs/dbraw/zinc/11/36/40/400113640.db2.gz LYEMPQPBCKQEEW-GZMMTYOYSA-N 0 3 285.185 2.364 10 0 CEAEHN Cc1cc(C)c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000155562440 289177216 /nfs/dbraw/zinc/17/72/16/289177216.db2.gz ZITBSXHISPCVLU-AAEUAGOBSA-N 0 3 264.369 2.355 10 0 CEAEHN CN1CC[C@@]2(CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000307134007 400338384 /nfs/dbraw/zinc/33/83/84/400338384.db2.gz NJUXXHHBWQZSJJ-MRXNPFEDSA-N 0 3 274.364 2.351 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1conc1C ZINC000397881906 400559617 /nfs/dbraw/zinc/55/96/17/400559617.db2.gz BDTBQGSMDHYCBM-CABCVRRESA-N 0 3 263.385 2.432 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN1CCC([C@H]2CCCO2)CC1 ZINC000189170062 153082825 /nfs/dbraw/zinc/08/28/25/153082825.db2.gz JVLMIZXWKULINP-HUUCEWRRSA-N 0 3 285.428 2.053 10 0 CEAEHN CC[C@H](C(=O)OC(C)(C)C)N1CCN2CCCC[C@@H]2C1 ZINC000192108525 153203543 /nfs/dbraw/zinc/20/35/43/153203543.db2.gz ZUXARIZNKXZBGB-ZIAGYGMSSA-N 0 3 282.428 2.277 10 0 CEAEHN O=C(c1cc2c(cccc2F)[nH]1)N1CCN2CCC[C@H]2C1 ZINC000195327887 153281498 /nfs/dbraw/zinc/28/14/98/153281498.db2.gz SUKUVFIQBSCVBT-NSHDSACASA-N 0 3 287.338 2.227 10 0 CEAEHN O=C(Cc1ccccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000195310389 153282093 /nfs/dbraw/zinc/28/20/93/153282093.db2.gz HCAIRMHCJADTNS-CYBMUJFWSA-N 0 3 278.783 2.189 10 0 CEAEHN CCc1ccc(CCC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195317656 153282655 /nfs/dbraw/zinc/28/26/55/153282655.db2.gz HGDBXOBHNYUHRW-QGZVFWFLSA-N 0 3 286.419 2.488 10 0 CEAEHN CC(=O)NCCCN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195338799 153288237 /nfs/dbraw/zinc/28/82/37/153288237.db2.gz NUAZKEFDKUPFSK-CYBMUJFWSA-N 0 3 281.425 2.157 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(CCOC(C)C)C2)no1 ZINC000195517953 153294076 /nfs/dbraw/zinc/29/40/76/153294076.db2.gz QUKHGLHJFJBFGM-CYBMUJFWSA-N 0 3 267.373 2.058 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H](O)c1ccccc1 ZINC000227361319 153345154 /nfs/dbraw/zinc/34/51/54/153345154.db2.gz NJNKXOZYLOKOLR-DJIMGWMZSA-N 0 3 274.408 2.279 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2C[C@@H](O)C2(C)C)c1C ZINC000228855475 153367202 /nfs/dbraw/zinc/36/72/02/153367202.db2.gz QJILSPOMNMVZIF-ZWKOPEQDSA-N 0 3 265.401 2.330 10 0 CEAEHN CCN(C)c1ccc(CN[C@H](C)[C@H]2CCCO2)cn1 ZINC000249692876 153708791 /nfs/dbraw/zinc/70/87/91/153708791.db2.gz XNDZIXVYCROGBU-TZMCWYRMSA-N 0 3 263.385 2.195 10 0 CEAEHN Cc1cc(-c2nc([C@@H]3CNCCN3C)no2)ccc1Cl ZINC000263162388 154027544 /nfs/dbraw/zinc/02/75/44/154027544.db2.gz DXPHXKGULBYJAK-LBPRGKRZSA-N 0 3 292.770 2.275 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2sccc2C2CC2)n1 ZINC000263317861 154054697 /nfs/dbraw/zinc/05/46/97/154054697.db2.gz ZSTVAOVEOOWXKK-LLVKDONJSA-N 0 3 290.392 2.252 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000263530070 154116001 /nfs/dbraw/zinc/11/60/01/154116001.db2.gz WAHIGALOYFEALK-HSBZDZAISA-N 0 3 270.417 2.196 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@@H](C)CC(C)C)C1 ZINC000263530070 154116003 /nfs/dbraw/zinc/11/60/03/154116003.db2.gz WAHIGALOYFEALK-HSBZDZAISA-N 0 3 270.417 2.196 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@@H](C)CC(C)C)C1 ZINC000263530070 154116005 /nfs/dbraw/zinc/11/60/05/154116005.db2.gz WAHIGALOYFEALK-HSBZDZAISA-N 0 3 270.417 2.196 10 0 CEAEHN C[N@H+](CC(=O)[O-])C1CCN(CC2CCCCCC2)CC1 ZINC000263571573 154130666 /nfs/dbraw/zinc/13/06/66/154130666.db2.gz JOXNJJUCQMXZAS-UHFFFAOYSA-N 0 3 282.428 2.438 10 0 CEAEHN C[N@@H+](CC(=O)[O-])C1CCN(CC2CCCCCC2)CC1 ZINC000263571573 154130670 /nfs/dbraw/zinc/13/06/70/154130670.db2.gz JOXNJJUCQMXZAS-UHFFFAOYSA-N 0 3 282.428 2.438 10 0 CEAEHN CN(CC(=O)[O-])C1CC[NH+](CC2CCCCCC2)CC1 ZINC000263571573 154130680 /nfs/dbraw/zinc/13/06/80/154130680.db2.gz JOXNJJUCQMXZAS-UHFFFAOYSA-N 0 3 282.428 2.438 10 0 CEAEHN COc1cc(C)ccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171891341 165050870 /nfs/dbraw/zinc/05/08/70/165050870.db2.gz FFXKWIPRTWXGLZ-CYBMUJFWSA-N 0 3 289.379 2.316 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CNc2c(C)cccc2C)C1 ZINC000173562939 165074027 /nfs/dbraw/zinc/07/40/27/165074027.db2.gz DOWIYEHKGLHLPO-OAHLLOKOSA-N 0 3 289.423 2.316 10 0 CEAEHN C[C@H](c1cccc(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173940254 165092526 /nfs/dbraw/zinc/09/25/26/165092526.db2.gz QYNNFFSGPCFEII-CJNGLKHVSA-N 0 3 278.371 2.293 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C(C)C ZINC000177321996 165196209 /nfs/dbraw/zinc/19/62/09/165196209.db2.gz URLBPMKDIWDQAJ-QWHCGFSZSA-N 0 3 255.406 2.157 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1CCOCC(F)(F)F ZINC000178330335 165233000 /nfs/dbraw/zinc/23/30/00/165233000.db2.gz UVHRQKPMIOSVGS-GFCCVEGCSA-N 0 3 291.317 2.235 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1ncc(C)s1 ZINC000180527600 165311873 /nfs/dbraw/zinc/31/18/73/165311873.db2.gz QMHUOWQXSWYYHS-GFCCVEGCSA-N 0 3 253.415 2.368 10 0 CEAEHN CO[C@H](C)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000182147686 165364807 /nfs/dbraw/zinc/36/48/07/165364807.db2.gz PAWUQLSOVDGCIP-MFKMUULPSA-N 0 3 251.374 2.209 10 0 CEAEHN CC(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC000007267824 170275278 /nfs/dbraw/zinc/27/52/78/170275278.db2.gz JTCSCUJWLOAISH-UHFFFAOYSA-N 0 3 266.344 2.482 10 0 CEAEHN CC(C)c1ccc([C@@H](N)Cn2cccnc2=O)cc1 ZINC000019395065 170782678 /nfs/dbraw/zinc/78/26/78/170782678.db2.gz UPCHXMVGZKSIRI-AWEZNQCLSA-N 0 3 257.337 2.067 10 0 CEAEHN Fc1cccc(F)c1CN[C@@H]1CN2CCC1CC2 ZINC000019946116 170936700 /nfs/dbraw/zinc/93/67/00/170936700.db2.gz SAJFBTDJEVTFKM-CQSZACIVSA-N 0 3 252.308 2.149 10 0 CEAEHN CC(C)c1nccn1CC(=O)Nc1ccccc1CN ZINC000020030306 170973874 /nfs/dbraw/zinc/97/38/74/170973874.db2.gz NAEADXAQAZGBHG-UHFFFAOYSA-N 0 3 272.352 2.104 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1[C@@H](C)N ZINC000020419445 171184311 /nfs/dbraw/zinc/18/43/11/171184311.db2.gz SMCPYHQHKOFXAM-UTUOFQBUSA-N 0 3 264.369 2.388 10 0 CEAEHN COc1ccc([C@H](N)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000020431215 171196262 /nfs/dbraw/zinc/19/62/62/171196262.db2.gz OCSQZRHOXURDTB-KRWDZBQOSA-N 0 3 282.343 2.262 10 0 CEAEHN COc1cccc(OCC(=O)Nc2ccccc2CN)c1 ZINC000022168244 171366779 /nfs/dbraw/zinc/36/67/79/171366779.db2.gz LWPCLESLDRVLPW-UHFFFAOYSA-N 0 3 286.331 2.171 10 0 CEAEHN CCN(c1ccccc1)S(=O)(=O)c1ccccc1CN ZINC000022175128 171369916 /nfs/dbraw/zinc/36/99/16/171369916.db2.gz ZTXZJPZSVZPBTP-UHFFFAOYSA-N 0 3 290.388 2.361 10 0 CEAEHN C[C@@H](OCC(F)(F)F)C(=O)Nc1ccccc1CN ZINC000022212714 171374459 /nfs/dbraw/zinc/37/44/59/171374459.db2.gz AIOCBJXJODUTGP-MRVPVSSYSA-N 0 3 276.258 2.051 10 0 CEAEHN CC(C)[C@H]([C@H](N)c1ccccc1)N1CCO[C@@H](C)C1 ZINC000023069236 171409542 /nfs/dbraw/zinc/40/95/42/171409542.db2.gz JPWOXWXGKKNCBD-NUEKZKHPSA-N 0 3 262.397 2.432 10 0 CEAEHN CC[NH2+][C@@H](C)c1ccccc1[N-]S(=O)(=O)CC ZINC000035645100 172321893 /nfs/dbraw/zinc/32/18/93/172321893.db2.gz OEKCFDGKJJFBKH-JTQLQIEISA-N 0 3 256.371 2.119 10 0 CEAEHN CCN[C@@H]1c2cccc(Cl)c2S(=O)(=O)C[C@@H]1C ZINC000035761260 172399169 /nfs/dbraw/zinc/39/91/69/172399169.db2.gz ULFOTONYNSPVCY-KWQFWETISA-N 0 3 273.785 2.414 10 0 CEAEHN Cc1noc(C)c1CN[C@H](CC(C)C)CN(C)C ZINC000037167220 173001351 /nfs/dbraw/zinc/00/13/51/173001351.db2.gz SKJMPPUIQOENGU-CYBMUJFWSA-N 0 3 253.390 2.357 10 0 CEAEHN COC(=O)CCN[C@@H](C)c1ccc(OC)cc1F ZINC000037252146 173063562 /nfs/dbraw/zinc/06/35/62/173063562.db2.gz TVEGAEIXSCOBJF-VIFPVBQESA-N 0 3 255.289 2.048 10 0 CEAEHN O=c1[nH]c(CNCC2CCCC2)nc2ccccc21 ZINC000037258439 173069582 /nfs/dbraw/zinc/06/95/82/173069582.db2.gz DMYURLKPECXVLU-UHFFFAOYSA-N 0 3 257.337 2.203 10 0 CEAEHN Cc1cccc([C@H](C)NC2CCS(=O)(=O)CC2)c1 ZINC000037269917 173081122 /nfs/dbraw/zinc/08/11/22/173081122.db2.gz HAQUIMQNIMLKCY-LBPRGKRZSA-N 0 3 267.394 2.223 10 0 CEAEHN Cc1ccccc1C(=O)CN(C)C1CCN(C)CC1 ZINC000037333232 173134321 /nfs/dbraw/zinc/13/43/21/173134321.db2.gz PKBLUTMXTMCDSE-UHFFFAOYSA-N 0 3 260.381 2.204 10 0 CEAEHN COc1cc(F)c([C@@H](N)CCCCC(N)=O)c(F)c1 ZINC000037903816 173835375 /nfs/dbraw/zinc/83/53/75/173835375.db2.gz NVHQOPYNOCDISC-NSHDSACASA-N 0 3 272.295 2.019 10 0 CEAEHN Nc1cccc2c1CCN(C[C@H](O)c1ccccc1)C2 ZINC000038032924 174029843 /nfs/dbraw/zinc/02/98/43/174029843.db2.gz DOSQRRHVAVGVDJ-KRWDZBQOSA-N 0 3 268.360 2.361 10 0 CEAEHN CC[C@H](C)N[C@@](CC)(C(N)=O)c1ccc(OC)cc1 ZINC000038065583 174076644 /nfs/dbraw/zinc/07/66/44/174076644.db2.gz POAVCPZZLSHWIU-XHDPSFHLSA-N 0 3 264.369 2.174 10 0 CEAEHN CC[C@@H](C)N[C@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000038065640 174076899 /nfs/dbraw/zinc/07/68/99/174076899.db2.gz RXMDODWMIRMXEH-RNCFNFMXSA-N 0 3 254.761 2.429 10 0 CEAEHN CSCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1F ZINC000040464176 174273452 /nfs/dbraw/zinc/27/34/52/174273452.db2.gz NIEBMPCQMMLSSF-CABZTGNLSA-N 0 3 270.373 2.083 10 0 CEAEHN CSCC[C@H](N)C(=O)N(C)[C@H](C)c1cccs1 ZINC000040468424 174276708 /nfs/dbraw/zinc/27/67/08/174276708.db2.gz CUPYCMWFXLGRHB-ZJUUUORDSA-N 0 3 272.439 2.348 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(Br)cn1 ZINC000040487120 174289701 /nfs/dbraw/zinc/28/97/01/174289701.db2.gz PJFIHNWBSVBSGO-XCBNKYQSSA-N 0 3 286.173 2.156 10 0 CEAEHN CCN1CCC[C@H](NCc2ccccc2C(=O)OC)C1 ZINC000040502761 174298727 /nfs/dbraw/zinc/29/87/27/174298727.db2.gz QTXPRIAGZBTAGR-AWEZNQCLSA-N 0 3 276.380 2.047 10 0 CEAEHN CCCCOCCN[C@@H](C)C(=O)N[C@H](C)CCC ZINC000040507354 174303139 /nfs/dbraw/zinc/30/31/39/174303139.db2.gz IBSMDDQLCMEOMI-OLZOCXBDSA-N 0 3 258.406 2.086 10 0 CEAEHN CCN1CCC[C@H]1CNc1nc(C)cc(C)c1C(N)=S ZINC000040510114 174304352 /nfs/dbraw/zinc/30/43/52/174304352.db2.gz KZUVUVWFILDUHC-LBPRGKRZSA-N 0 3 292.452 2.229 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)[C@H]2CCCCN2)s1 ZINC000040519024 174308487 /nfs/dbraw/zinc/30/84/87/174308487.db2.gz DVLIPFQVCCXSEA-MWLCHTKSSA-N 0 3 267.398 2.079 10 0 CEAEHN NCc1cccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)c1 ZINC000040605792 174353200 /nfs/dbraw/zinc/35/32/00/174353200.db2.gz XDDHFQHVOHLBKL-HNNXBMFYSA-N 0 3 280.327 2.192 10 0 CEAEHN CC(C)OC[C@H](O)CNCc1cc2c(s1)CCC2 ZINC000040626845 174356857 /nfs/dbraw/zinc/35/68/57/174356857.db2.gz RXIDZNIILQRTAV-GFCCVEGCSA-N 0 3 269.410 2.112 10 0 CEAEHN NC1(C(=O)NCc2cc3c(s2)CCC3)CCCC1 ZINC000040628114 174356900 /nfs/dbraw/zinc/35/69/00/174356900.db2.gz GKAWUFSYMQWJGK-UHFFFAOYSA-N 0 3 264.394 2.125 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)[C@@H]1C[C@H](OC)CN1 ZINC000040634285 174360387 /nfs/dbraw/zinc/36/03/87/174360387.db2.gz RLHFVSPWWPZNFU-JSGCOSHPSA-N 0 3 292.379 2.099 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)C1 ZINC000040637651 174361662 /nfs/dbraw/zinc/36/16/62/174361662.db2.gz RHFGIMIKHWIFOE-VXGBXAGGSA-N 0 3 261.300 2.265 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3ccccc3F)c[nH]2)C1 ZINC000040637841 174361707 /nfs/dbraw/zinc/36/17/07/174361707.db2.gz ZQBUPBPVLQZIIB-SKDRFNHKSA-N 0 3 261.300 2.265 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3ccc(C)s3)c[nH]2)C1 ZINC000040637794 174361944 /nfs/dbraw/zinc/36/19/44/174361944.db2.gz GAISLGUOGJXHNQ-NXEZZACHSA-N 0 3 263.366 2.496 10 0 CEAEHN Cc1ncsc1[C@H](C)NCCc1nccn1C ZINC000040639360 174363581 /nfs/dbraw/zinc/36/35/81/174363581.db2.gz BLTPCDQEPMUDED-VIFPVBQESA-N 0 3 250.371 2.078 10 0 CEAEHN CC(C)(N[C@H](c1ccc(F)cc1)C1CC1)C(N)=O ZINC000040674726 174373161 /nfs/dbraw/zinc/37/31/61/174373161.db2.gz YYBDPJZAWSRZLW-LBPRGKRZSA-N 0 3 250.317 2.130 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2cc(F)ccc2F)CC1 ZINC000040678571 174374768 /nfs/dbraw/zinc/37/47/68/174374768.db2.gz BFNIESIMAVRXTA-HNNXBMFYSA-N 0 3 284.350 2.466 10 0 CEAEHN Cc1nnc(Oc2cccc(N(C)C)c2)c(C(=N)N)c1C ZINC000040714626 174382393 /nfs/dbraw/zinc/38/23/93/174382393.db2.gz ZRYKZBJZRYKHKC-UHFFFAOYSA-N 0 3 285.351 2.236 10 0 CEAEHN CN1CCC[C@@H](Nc2ccc3scnc3c2N)C1 ZINC000040715789 174382734 /nfs/dbraw/zinc/38/27/34/174382734.db2.gz GTFOAJZBJKNEFN-SECBINFHSA-N 0 3 262.382 2.385 10 0 CEAEHN CCOc1ccc(C(C)=O)cc1CN1CC[C@H](N(C)C)C1 ZINC000062966680 414759819 /nfs/dbraw/zinc/75/98/19/414759819.db2.gz KATKOGYJKKRXIQ-INIZCTEOSA-N 0 3 290.407 2.424 10 0 CEAEHN Fc1cc(Cl)ccc1CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404289478 414777896 /nfs/dbraw/zinc/77/78/96/414777896.db2.gz ZPDPTFPMDXHCLM-KGLIPLIRSA-N 0 3 284.762 2.042 10 0 CEAEHN CCCc1ccccc1NC(=O)C1(N)CCOCC1 ZINC000127777903 414804739 /nfs/dbraw/zinc/80/47/39/414804739.db2.gz UYIPOBKAKWZRDT-UHFFFAOYSA-N 0 3 262.353 2.086 10 0 CEAEHN CN(C(=O)c1ccc(F)cc1Cl)[C@@H](CN)C(F)(F)F ZINC000662976230 414814951 /nfs/dbraw/zinc/81/49/51/414814951.db2.gz MGLUQVIFCRKHAA-VIFPVBQESA-N 0 3 298.667 2.441 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@@H](CN)C(F)(F)F)c(F)cc1F ZINC000662981973 414817629 /nfs/dbraw/zinc/81/76/29/414817629.db2.gz SXRKBNJZXQWXOH-JTQLQIEISA-N 0 3 296.239 2.235 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)cc1C ZINC000662978204 414817656 /nfs/dbraw/zinc/81/76/56/414817656.db2.gz ZGAXTYZKDSDPAR-NSHDSACASA-N 0 3 274.286 2.265 10 0 CEAEHN C[C@@H]1CCCC[C@H]1C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662987187 414819279 /nfs/dbraw/zinc/81/92/79/414819279.db2.gz RTDKZRXQUNRKSF-BBBLOLIVSA-N 0 3 266.307 2.161 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)NCc1cnccc1C(F)(F)F ZINC000663001963 414823318 /nfs/dbraw/zinc/82/33/18/414823318.db2.gz MCXGGTMMRUZHRU-GZMMTYOYSA-N 0 3 289.301 2.090 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2ccc(F)c(F)c2F)C1 ZINC000657325752 414860585 /nfs/dbraw/zinc/86/05/85/414860585.db2.gz KQTNYJBLISOTQW-NXEZZACHSA-N 0 3 259.271 2.497 10 0 CEAEHN CC(C)Oc1ncccc1CNC[C@@H](O)C(C)(C)C ZINC000311952271 414861900 /nfs/dbraw/zinc/86/19/00/414861900.db2.gz MYQZHBJKKTYXRC-CYBMUJFWSA-N 0 3 266.385 2.365 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CCn1cc(Cl)cn1 ZINC000312221640 414862279 /nfs/dbraw/zinc/86/22/79/414862279.db2.gz BDNNEMMKXJHAPF-CABCVRRESA-N 0 3 296.846 2.485 10 0 CEAEHN Oc1cccc2c1CC[C@@H]2NCCO[C@@H]1CC1(F)F ZINC000660651242 414917269 /nfs/dbraw/zinc/91/72/69/414917269.db2.gz ZAPOXTRPPDATTR-WCQYABFASA-N 0 3 269.291 2.393 10 0 CEAEHN CC(C)N(CC(F)(F)F)[C@@H](CN)c1cccnc1 ZINC000042746489 174865199 /nfs/dbraw/zinc/86/51/99/174865199.db2.gz GTSWYOKARFVJNX-NSHDSACASA-N 0 3 261.291 2.354 10 0 CEAEHN N[C@H](c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299876 175000246 /nfs/dbraw/zinc/00/02/46/175000246.db2.gz KTBGJSFRLUGQEU-LSDHHAIUSA-N 0 3 275.373 2.274 10 0 CEAEHN N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043299938 175000398 /nfs/dbraw/zinc/00/03/98/175000398.db2.gz ISIAKCXOABRYCN-HQJQHLMTSA-N 0 3 294.203 2.428 10 0 CEAEHN Cc1cc(C)c([C@@H](N)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000043300048 175000813 /nfs/dbraw/zinc/00/08/13/175000813.db2.gz SILVORKIXSAGPU-JSGCOSHPSA-N 0 3 267.394 2.046 10 0 CEAEHN N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300000 175001039 /nfs/dbraw/zinc/00/10/39/175001039.db2.gz PYOVNOPZZWJWQM-GXSJLCMTSA-N 0 3 293.310 2.140 10 0 CEAEHN CC(C)c1ccc([C@@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000043299988 175001042 /nfs/dbraw/zinc/00/10/42/175001042.db2.gz GJRJCSBBFCJVKF-UONOGXRCSA-N 0 3 267.394 2.245 10 0 CEAEHN CCCN[C@@H](c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043301248 175001959 /nfs/dbraw/zinc/00/19/59/175001959.db2.gz REJYIUZJSWPQDX-BXUZGUMPSA-N 0 3 285.384 2.301 10 0 CEAEHN COc1cc(C)ccc1O[C@H](CN)c1ccccn1 ZINC000043342520 175016024 /nfs/dbraw/zinc/01/60/24/175016024.db2.gz YUIMKWIDCGLJRV-OAHLLOKOSA-N 0 3 258.321 2.477 10 0 CEAEHN CN(Cc1ccccc1F)[C@@H](CN)c1ccncc1 ZINC000043353565 175020902 /nfs/dbraw/zinc/02/09/02/175020902.db2.gz MWMVZZHUDIJLHO-HNNXBMFYSA-N 0 3 259.328 2.353 10 0 CEAEHN COc1cccc(CO[C@H](CN)c2ccncc2)c1 ZINC000043355792 175023744 /nfs/dbraw/zinc/02/37/44/175023744.db2.gz HDMZPTQYVUWKFZ-OAHLLOKOSA-N 0 3 258.321 2.307 10 0 CEAEHN CCCCOC(=O)COc1ccccc1[C@@H](C)N ZINC000043447207 175048723 /nfs/dbraw/zinc/04/87/23/175048723.db2.gz RCDYUJVBFDMETR-LLVKDONJSA-N 0 3 251.326 2.428 10 0 CEAEHN C[C@@H](N[C@@H]1CCNC1=O)c1cc2c(s1)CCCC2 ZINC000658052595 415175953 /nfs/dbraw/zinc/17/59/53/415175953.db2.gz MNNQOKWFUXAURN-MWLCHTKSSA-N 0 3 264.394 2.166 10 0 CEAEHN CN[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000043811324 175110125 /nfs/dbraw/zinc/11/01/25/175110125.db2.gz JQYVHSFZDLKNJH-ZENOOKHLSA-N 0 3 278.396 2.065 10 0 CEAEHN CCOc1ccc([C@H](CN2C[C@@H](C)O[C@@H](C)C2)NC)cc1 ZINC000043811360 175110251 /nfs/dbraw/zinc/11/02/51/175110251.db2.gz BBZKRSYCGOTOLK-VBQJREDUSA-N 0 3 292.423 2.455 10 0 CEAEHN CN[C@@H](CN1CCO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000043812526 175110749 /nfs/dbraw/zinc/11/07/49/175110749.db2.gz DLAPKSCGWZHNKD-JSGCOSHPSA-N 0 3 274.364 2.414 10 0 CEAEHN CCCN[C@H](CN(C)C)c1cc(OC)ccc1OC ZINC000043816237 175112569 /nfs/dbraw/zinc/11/25/69/175112569.db2.gz HDSHHECZTUMJKQ-CQSZACIVSA-N 0 3 266.385 2.306 10 0 CEAEHN CCCN(C)C[C@@H](NCC)c1ccc2c(c1)OCO2 ZINC000043886097 175116548 /nfs/dbraw/zinc/11/65/48/175116548.db2.gz UVPTWLZKVJGMPK-CYBMUJFWSA-N 0 3 264.369 2.408 10 0 CEAEHN CCOc1ccccc1[C@H](CN1CCOC[C@@H]1CC)NC ZINC000043898992 175121416 /nfs/dbraw/zinc/12/14/16/175121416.db2.gz BYVUQSBVHXLJAZ-HOCLYGCPSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@@H](CN1CCC[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000043902542 175122827 /nfs/dbraw/zinc/12/28/27/175122827.db2.gz AMUHTPCPBDMHGR-AAEUAGOBSA-N 0 3 262.353 2.160 10 0 CEAEHN CCCOc1ccc([C@@H](CN(C)CCOC)NC)cc1 ZINC000043915474 175125053 /nfs/dbraw/zinc/12/50/53/175125053.db2.gz PTWGKCBKQMNBNQ-MRXNPFEDSA-N 0 3 280.412 2.314 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@@H]1N(CCOC)CC(C)C ZINC000043970313 175130912 /nfs/dbraw/zinc/13/09/12/175130912.db2.gz UKEWGFYPWUWHGB-RDJZCZTQSA-N 0 3 292.423 2.313 10 0 CEAEHN COCCN(CCOC)C[C@H](O)c1c(C)cc(C)cc1C ZINC000044176906 175150129 /nfs/dbraw/zinc/15/01/29/175150129.db2.gz IOIBEPYYZVSBKD-INIZCTEOSA-N 0 3 295.423 2.240 10 0 CEAEHN CCOC(=O)CCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000044299244 175161398 /nfs/dbraw/zinc/16/13/98/175161398.db2.gz BIAKIJACKKYZKW-LLVKDONJSA-N 0 3 279.336 2.062 10 0 CEAEHN CC1CCN(C(=O)[C@@H](CN)Cc2ccccc2)CC1 ZINC000044795203 175254475 /nfs/dbraw/zinc/25/44/75/175254475.db2.gz ZNNKJBHWHQGATK-OAHLLOKOSA-N 0 3 260.381 2.063 10 0 CEAEHN NC[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000044795266 175254762 /nfs/dbraw/zinc/25/47/62/175254762.db2.gz ZKLPFSQCXCNTRW-AWEZNQCLSA-N 0 3 260.381 2.253 10 0 CEAEHN CCC(CC)N(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044802026 175255376 /nfs/dbraw/zinc/25/53/76/175255376.db2.gz XOWGYHGUQLFMRM-AWEZNQCLSA-N 0 3 262.397 2.451 10 0 CEAEHN CC[C@H](C)N(CCOC)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044807645 175256918 /nfs/dbraw/zinc/25/69/18/175256918.db2.gz ABBHHUGVLICEPA-HOCLYGCPSA-N 0 3 292.423 2.078 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCC[C@@H]1CC)NC(C)C ZINC000045221204 175330360 /nfs/dbraw/zinc/33/03/60/175330360.db2.gz NENBQCSQWBVIQE-ZFWWWQNUSA-N 0 3 270.417 2.181 10 0 CEAEHN CCN(CC[C@@](C)(N)C(N)=O)c1cccc2ccccc21 ZINC000045222933 175331053 /nfs/dbraw/zinc/33/10/53/175331053.db2.gz YDWNWMPCFVBFCV-QGZVFWFLSA-N 0 3 285.391 2.259 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000045224559 175332709 /nfs/dbraw/zinc/33/27/09/175332709.db2.gz KIPBRABMUFJBGL-DVOMOZLQSA-N 0 3 282.428 2.038 10 0 CEAEHN COC(=O)[C@](C)(CCN1CCC(C)CC1)NC(C)C ZINC000045225575 175332890 /nfs/dbraw/zinc/33/28/90/175332890.db2.gz BSMYBLOHIGNBRR-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN[C@](C)(CN1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231776 175335595 /nfs/dbraw/zinc/33/55/95/175335595.db2.gz NZKOQDJDOUUKAB-VNHYZAJKSA-N 0 3 270.417 2.181 10 0 CEAEHN CCN(C[C@@](NC(C)C)(C(N)=O)c1ccccc1)C(C)C ZINC000045265427 175338560 /nfs/dbraw/zinc/33/85/60/175338560.db2.gz FOAZPPUBGGIULV-KRWDZBQOSA-N 0 3 291.439 2.096 10 0 CEAEHN CCCCCN(C)C[C@](C)(NCCC)C(=O)OCC ZINC000045268149 175340524 /nfs/dbraw/zinc/34/05/24/175340524.db2.gz ZPGWIZACOBWUPF-HNNXBMFYSA-N 0 3 272.433 2.430 10 0 CEAEHN CCCCCN(C)C[C@](C)(NC1CC1)C(=O)OCC ZINC000045268174 175340687 /nfs/dbraw/zinc/34/06/87/175340687.db2.gz HNFKOGDZOMNTFQ-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN[C@](C)(CN(C)C[C@@H](C)CC)C(=O)OCC ZINC000045268387 175341020 /nfs/dbraw/zinc/34/10/20/175341020.db2.gz ZOHONHHLMGMIRC-DZGCQCFKSA-N 0 3 272.433 2.286 10 0 CEAEHN CCC(CC)[N@H+](C)CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000045269697 175341196 /nfs/dbraw/zinc/34/11/96/175341196.db2.gz DFYGOQAASSCWJH-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CCC(CC)[N@@H+](C)CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000045269697 175341197 /nfs/dbraw/zinc/34/11/97/175341197.db2.gz DFYGOQAASSCWJH-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)CN(CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045277534 175347849 /nfs/dbraw/zinc/34/78/49/175347849.db2.gz KQTHASAXMGDCSP-OAHLLOKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)C[N@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])C1CC1 ZINC000045277534 175347852 /nfs/dbraw/zinc/34/78/52/175347852.db2.gz KQTHASAXMGDCSP-OAHLLOKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)C[N@@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])C1CC1 ZINC000045277534 175347853 /nfs/dbraw/zinc/34/78/53/175347853.db2.gz KQTHASAXMGDCSP-OAHLLOKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)[N@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])CC1CC1 ZINC000045281017 175350845 /nfs/dbraw/zinc/35/08/45/175350845.db2.gz QLSUYGPTEUNUBF-OAHLLOKOSA-N 0 3 268.401 2.092 10 0 CEAEHN CC(C)[N@@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])CC1CC1 ZINC000045281017 175350846 /nfs/dbraw/zinc/35/08/46/175350846.db2.gz QLSUYGPTEUNUBF-OAHLLOKOSA-N 0 3 268.401 2.092 10 0 CEAEHN CCOC(=O)[C@H](CN(C)C1CCCCCC1)NC1CC1 ZINC000045419113 175377385 /nfs/dbraw/zinc/37/73/85/175377385.db2.gz ULCLDSZOQPHGGG-HNNXBMFYSA-N 0 3 282.428 2.325 10 0 CEAEHN CCCCN(C[C@@H](NCCC)C(=O)OCC)C1CC1 ZINC000045421704 175379797 /nfs/dbraw/zinc/37/97/97/175379797.db2.gz XYXJPPVQJYKFPG-CQSZACIVSA-N 0 3 270.417 2.182 10 0 CEAEHN CCOc1c(CNCCc2c[nH]cn2)cccc1OC ZINC000045946265 175387874 /nfs/dbraw/zinc/38/78/74/175387874.db2.gz LKXOCWUFVCUQDQ-UHFFFAOYSA-N 0 3 275.352 2.149 10 0 CEAEHN C[C@H](NC[C@@H]1CC(=O)N(C)C1)c1ccccc1Cl ZINC000658243739 415278580 /nfs/dbraw/zinc/27/85/80/415278580.db2.gz GGGVJTAJFQBUDN-QWRGUYRKSA-N 0 3 266.772 2.469 10 0 CEAEHN C[C@@]1(C(=O)N2CCC[C@@H](OC3CCC3)C2)CCCCN1 ZINC000655494619 415307011 /nfs/dbraw/zinc/30/70/11/415307011.db2.gz DUNXDJKTZRMLCX-ZBFHGGJFSA-N 0 3 280.412 2.079 10 0 CEAEHN COC[C@@H](C)Oc1cc(OC)ccc1CNC1CC1 ZINC000070375569 175899446 /nfs/dbraw/zinc/89/94/46/175899446.db2.gz SXMLONQZPOHEJA-LLVKDONJSA-N 0 3 265.353 2.361 10 0 CEAEHN NCc1ccn(Cc2ccc(F)cc2Br)n1 ZINC000070708214 176002669 /nfs/dbraw/zinc/00/26/69/176002669.db2.gz TZNXYHNGODRDDY-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN Cc1ccc(OC[C@H]2CNCCO2)c(Br)c1 ZINC000070834123 176007752 /nfs/dbraw/zinc/00/77/52/176007752.db2.gz JGFJYBCYZNUJGA-SNVBAGLBSA-N 0 3 286.169 2.125 10 0 CEAEHN COc1ccc([C@@H](CNC(=O)c2ccc[nH]2)N(C)C)cc1 ZINC000070877843 176009486 /nfs/dbraw/zinc/00/94/86/176009486.db2.gz OOHPMFQVMCGJHV-OAHLLOKOSA-N 0 3 287.363 2.056 10 0 CEAEHN C[C@H](c1ccccc1F)N1CC[C@@H](NC2CC2)C1=O ZINC000071031905 176023119 /nfs/dbraw/zinc/02/31/19/176023119.db2.gz GLHPFHOVINUQGF-QMTHXVAHSA-N 0 3 262.328 2.240 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccccc1Br ZINC000071032398 176023706 /nfs/dbraw/zinc/02/37/06/176023706.db2.gz MKWHDJLOHSYMBF-NSHDSACASA-N 0 3 295.180 2.306 10 0 CEAEHN CCN[C@@H]1CCCN(c2cc(F)c(F)c(F)c2)C1=O ZINC000071042886 176029229 /nfs/dbraw/zinc/02/92/29/176029229.db2.gz JUUIKXPEMJYLBN-LLVKDONJSA-N 0 3 272.270 2.209 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(C)C)CCC[C@H](CC)C1 ZINC000071126009 176035741 /nfs/dbraw/zinc/03/57/41/176035741.db2.gz WSGUIIVJCYAPIS-ZFWWWQNUSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOC(=O)c1ncsc1NC[C@@H]1CCN(CC)C1 ZINC000071201877 176078087 /nfs/dbraw/zinc/07/80/87/176078087.db2.gz PPJSKFNSOJTTJI-JTQLQIEISA-N 0 3 283.397 2.074 10 0 CEAEHN COc1nc(N(C)C)sc1CN[C@H]1CCC[C@H]1C ZINC000071206398 176079895 /nfs/dbraw/zinc/07/98/95/176079895.db2.gz ILBFCSMBMFZPOG-ZJUUUORDSA-N 0 3 269.414 2.496 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335706 176127044 /nfs/dbraw/zinc/12/70/44/176127044.db2.gz KXGRRCMUIJOCQV-ZDUSSCGKSA-N 0 3 297.443 2.070 10 0 CEAEHN CCNCc1cc(C)ccc1OCC(=O)OC(C)C ZINC000071403770 176155104 /nfs/dbraw/zinc/15/51/04/176155104.db2.gz FHIUPFRPMFSOBQ-UHFFFAOYSA-N 0 3 265.353 2.435 10 0 CEAEHN CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1CNC ZINC000071403664 176155166 /nfs/dbraw/zinc/15/51/66/176155166.db2.gz DNQZBAMUCFDEBG-GFCCVEGCSA-N 0 3 264.369 2.008 10 0 CEAEHN CCNCc1cc(C)ccc1OCC(=O)NCC(C)C ZINC000071406091 176155710 /nfs/dbraw/zinc/15/57/10/176155710.db2.gz FSVXNFBSQVXKCO-UHFFFAOYSA-N 0 3 278.396 2.256 10 0 CEAEHN Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(CNC(C)C)c1 ZINC000071406457 176155964 /nfs/dbraw/zinc/15/59/64/176155964.db2.gz MRHOOOCGRCSZAS-CQSZACIVSA-N 0 3 297.420 2.059 10 0 CEAEHN CN[C@@H](CCO)c1ccc(Br)s1 ZINC000071571740 176197474 /nfs/dbraw/zinc/19/74/74/176197474.db2.gz XYIQBIFYAZLDPN-LURJTMIESA-N 0 3 250.161 2.154 10 0 CEAEHN CCNCCS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000071576818 176204617 /nfs/dbraw/zinc/20/46/17/176204617.db2.gz QGDSLXLNGQLGAV-UHFFFAOYSA-N 0 3 255.383 2.193 10 0 CEAEHN CN(c1cnn(Cc2ccccc2)c1)C1CCN(C)CC1 ZINC000071711317 176248497 /nfs/dbraw/zinc/24/84/97/176248497.db2.gz ZBQYJLAREPGWAK-UHFFFAOYSA-N 0 3 284.407 2.462 10 0 CEAEHN N[C@@H](CO)c1ccc(Br)c(Br)c1 ZINC000072199732 176341359 /nfs/dbraw/zinc/34/13/59/176341359.db2.gz ZKWRVFQEEWTNFS-QMMMGPOBSA-N 0 3 294.974 2.204 10 0 CEAEHN OCC[C@@H]1CCCCN1Cc1cnc2ccccc2n1 ZINC000659879955 415757366 /nfs/dbraw/zinc/75/73/66/415757366.db2.gz ZOGDCYCYHMLJHP-AWEZNQCLSA-N 0 3 271.364 2.367 10 0 CEAEHN COc1cc(CN[C@H](C)[C@H]2CCCO2)cc2c1OCO2 ZINC000075782799 176783688 /nfs/dbraw/zinc/78/36/88/176783688.db2.gz CVFJPGCHJBENBA-ZYHUDNBSSA-N 0 3 279.336 2.081 10 0 CEAEHN Cc1ncc(N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000076722863 177070498 /nfs/dbraw/zinc/07/04/98/177070498.db2.gz ZZPPYLIFMCIUTC-HNNXBMFYSA-N 0 3 268.364 2.471 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000172907794 287371217 /nfs/dbraw/zinc/37/12/17/287371217.db2.gz PVEZGSMALRBTQV-MGPQQGTHSA-N 0 3 250.386 2.119 10 0 CEAEHN CCC[C@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000187683302 270255202 /nfs/dbraw/zinc/25/52/02/270255202.db2.gz ZHDSKSXGXXNTEJ-ZDUSSCGKSA-N 0 3 278.444 2.343 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1cc(C)c(O)c(C)c1)N(C)C ZINC000188745196 270257744 /nfs/dbraw/zinc/25/77/44/270257744.db2.gz QVKMDGORTSPUPI-HNNXBMFYSA-N 0 3 292.423 2.398 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(F)cc2OC)C1 ZINC000194335386 270296875 /nfs/dbraw/zinc/29/68/75/270296875.db2.gz FRAMVDLDTSWNIO-LBPRGKRZSA-N 0 3 295.358 2.440 10 0 CEAEHN Cc1cc(C)n([C@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C)n1 ZINC000194755896 270303580 /nfs/dbraw/zinc/30/35/80/270303580.db2.gz HZUURZDNVVZSAO-CABCVRRESA-N 0 3 294.443 2.153 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCCCN1 ZINC000136147987 274449253 /nfs/dbraw/zinc/44/92/53/274449253.db2.gz HCJKANFBJOPAKE-ZDUSSCGKSA-N 0 3 298.289 2.479 10 0 CEAEHN Cc1cc2c(NC[C@H]3NCCc4ccccc43)nccn2n1 ZINC000262420249 274725489 /nfs/dbraw/zinc/72/54/89/274725489.db2.gz DYRSTKXZRTXKLS-OAHLLOKOSA-N 0 3 293.374 2.337 10 0 CEAEHN C(C1CCC2(CC1)OCCO2)N1CCN2CCCC[C@@H]2C1 ZINC000248878207 275389704 /nfs/dbraw/zinc/38/97/04/275389704.db2.gz DFVAQLMXHXGUNI-MRXNPFEDSA-N 0 3 294.439 2.090 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1C ZINC000175357452 276182904 /nfs/dbraw/zinc/18/29/04/276182904.db2.gz PLSBDKJVHOAHTG-HNNXBMFYSA-N 0 3 289.423 2.350 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000170858809 276783102 /nfs/dbraw/zinc/78/31/02/276783102.db2.gz RSTOVIVHMNHGGW-GFCCVEGCSA-N 0 3 278.421 2.403 10 0 CEAEHN CN1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000173401111 276887713 /nfs/dbraw/zinc/88/77/13/276887713.db2.gz KKIZYPVQRLOXDC-CABCVRRESA-N 0 3 264.413 2.413 10 0 CEAEHN CN1c2ccccc2[C@@H](NCCN2CCCCC2)CC1=O ZINC000049574998 277217812 /nfs/dbraw/zinc/21/78/12/277217812.db2.gz LBNNPZGJHGVWRW-HNNXBMFYSA-N 0 3 287.407 2.170 10 0 CEAEHN C[C@H]1CC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)O1 ZINC000151001685 278380305 /nfs/dbraw/zinc/38/03/05/278380305.db2.gz VJRTVAZJZGAVCH-GOEBONIOSA-N 0 3 294.439 2.278 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC1(SC)CC1 ZINC000195159819 279325037 /nfs/dbraw/zinc/32/50/37/279325037.db2.gz OBTJAEUCGWEGBR-LBPRGKRZSA-N 0 3 285.457 2.008 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccccc1C(F)(F)F ZINC000282289566 280042092 /nfs/dbraw/zinc/04/20/92/280042092.db2.gz IYFWKQPONNMSNE-BXKDBHETSA-N 0 3 286.297 2.462 10 0 CEAEHN CCC[C@@H](CC)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000195394222 280203760 /nfs/dbraw/zinc/20/37/60/280203760.db2.gz IBMFJEKKDKCJQL-OLZOCXBDSA-N 0 3 255.406 2.349 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC000248858986 280245441 /nfs/dbraw/zinc/24/54/41/280245441.db2.gz RFXBYHVDFXLZDR-BARDWOONSA-N 0 3 282.428 2.323 10 0 CEAEHN Cc1c(NC(=O)[C@H]2CCCN2C2CCCC2)cnn1C ZINC000333108352 280246409 /nfs/dbraw/zinc/24/64/09/280246409.db2.gz WVZQYPPYOUSPBP-CQSZACIVSA-N 0 3 276.384 2.074 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](C)[C@@H]2C)C1 ZINC000246477456 280296308 /nfs/dbraw/zinc/29/63/08/280296308.db2.gz VPSOIDRXHQLFLP-RDBSUJKOSA-N 0 3 267.417 2.301 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCCC2(C)C)C1 ZINC000246554103 280300816 /nfs/dbraw/zinc/30/08/16/280300816.db2.gz WFROSAUYJQHLLV-QWHCGFSZSA-N 0 3 267.417 2.299 10 0 CEAEHN CCc1ccccc1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000249081427 280382782 /nfs/dbraw/zinc/38/27/82/280382782.db2.gz ADWCUVHUZLVZPT-LSDHHAIUSA-N 0 3 276.424 2.136 10 0 CEAEHN CCC[C@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000249275215 280390463 /nfs/dbraw/zinc/39/04/63/280390463.db2.gz LSLYOMXDVQFECR-DZGCQCFKSA-N 0 3 265.401 2.389 10 0 CEAEHN CC(C)[C@H]1N(C(=O)C23CCCN2CCC3)C[C@@]12CCCO2 ZINC000334613293 280446335 /nfs/dbraw/zinc/44/63/35/280446335.db2.gz PDZPHXGHIQLNSJ-PBHICJAKSA-N 0 3 292.423 2.031 10 0 CEAEHN Cc1nc2c(s1)[C@H](N[C@H]1CCc3ncnn3C1)CCC2 ZINC000180589464 282046469 /nfs/dbraw/zinc/04/64/69/282046469.db2.gz OBMPCFLOXGTTAI-CMPLNLGQSA-N 0 3 289.408 2.025 10 0 CEAEHN C[C@@H](C(=O)OC(C)(C)C)N(C)CCN1CCC(C)CC1 ZINC000154135955 289136038 /nfs/dbraw/zinc/13/60/38/289136038.db2.gz HLHPVNGCAUXMJR-AWEZNQCLSA-N 0 3 284.444 2.380 10 0 CEAEHN CCC[C@@H](C(=O)NCC1(CCOC)CCCC1)N(C)C ZINC000154828983 289155987 /nfs/dbraw/zinc/15/59/87/289155987.db2.gz YMGYQRQFOFQERN-AWEZNQCLSA-N 0 3 284.444 2.430 10 0 CEAEHN CCc1onc(C)c1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000155489147 289175480 /nfs/dbraw/zinc/17/54/80/289175480.db2.gz CFVAACFGOUWQTD-CMPLNLGQSA-N 0 3 279.384 2.004 10 0 CEAEHN NC[C@H](C(=O)N1C[C@@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000246534723 295261373 /nfs/dbraw/zinc/26/13/73/295261373.db2.gz RYRXBUBGWJROLP-JYJNAYRXSA-N 0 3 272.392 2.378 10 0 CEAEHN COc1ccccc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113232286 295351235 /nfs/dbraw/zinc/35/12/35/295351235.db2.gz MEFNNGGLXODJCG-QWHCGFSZSA-N 0 3 274.364 2.004 10 0 CEAEHN CC1(C)CC(NC(=O)[C@H]2C[C@H](F)CN2)CC(C)(C)C1 ZINC000575800263 314222339 /nfs/dbraw/zinc/22/23/39/314222339.db2.gz JGSAIIVWUKPHIA-CMPLNLGQSA-N 0 3 270.392 2.408 10 0 CEAEHN CCOCc1cc([C@H](O)C[NH2+]C(C)(C)C)ccc1[O-] ZINC000169330068 333180610 /nfs/dbraw/zinc/18/06/10/333180610.db2.gz TXFGJJYAMPXTIJ-CQSZACIVSA-N 0 3 267.369 2.350 10 0 CEAEHN CC(C)N1CCc2nc(C3(N)CCC3)sc2C1 ZINC000061713566 519690148 /nfs/dbraw/zinc/69/01/48/519690148.db2.gz QJNDPCPFEIAUEC-UHFFFAOYSA-N 0 3 251.399 2.248 10 0 CEAEHN CCCN[C@@H](CCN(CC)c1ccccc1C)C(N)=O ZINC000062438001 519998209 /nfs/dbraw/zinc/99/82/09/519998209.db2.gz LDHKAMRZXJQXJW-AWEZNQCLSA-N 0 3 277.412 2.065 10 0 CEAEHN CCCN[C@@](CN(C)CC1CC1)(C(=O)OCC)C1CC1 ZINC000069100716 520049478 /nfs/dbraw/zinc/04/94/78/520049478.db2.gz SSZFNHFUHSEQTH-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCN[C@@](CN(C)[C@@H](C)CCC)(C(=O)OC)C1CC1 ZINC000069100170 520049996 /nfs/dbraw/zinc/04/99/96/520049996.db2.gz HAJMBVIXAFXAAU-XJKSGUPXSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC ZINC000062747405 520065388 /nfs/dbraw/zinc/06/53/88/520065388.db2.gz SGGGUOIPUQXVHV-MNOVXSKESA-N 0 3 282.359 2.400 10 0 CEAEHN CCN[C@@H](c1ccc(F)cc1F)[C@@H]1COCCO1 ZINC000055300067 520108895 /nfs/dbraw/zinc/10/88/95/520108895.db2.gz XZEIUFBPHLCJJP-STQMWFEESA-N 0 3 257.280 2.031 10 0 CEAEHN CCN[C@@H](c1ccc(OC)cc1Cl)[C@@H]1COCCO1 ZINC000055300801 520112628 /nfs/dbraw/zinc/11/26/28/520112628.db2.gz UYYMWBKTPAVXAR-KBPBESRZSA-N 0 3 285.771 2.415 10 0 CEAEHN CCCN[C@](CN(C)CCC(C)C)(C(=O)OC)C1CC1 ZINC000069183692 520116502 /nfs/dbraw/zinc/11/65/02/520116502.db2.gz NDTFFRJQBUPOKF-INIZCTEOSA-N 0 3 284.444 2.286 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1OC[C@H](O)COC ZINC000069053637 520176340 /nfs/dbraw/zinc/17/63/40/520176340.db2.gz LZLOQRWBQKQFPL-CHWSQXEVSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCO[C@H](CC)C2)s1 ZINC000054903641 520181733 /nfs/dbraw/zinc/18/17/33/520181733.db2.gz NNRYLCXIRYHWSI-GHMZBOCLSA-N 0 3 269.414 2.429 10 0 CEAEHN CCCc1nc(N2CCOC[C@@H]2C)sc1CNC ZINC000054997364 521532744 /nfs/dbraw/zinc/53/27/44/521532744.db2.gz VRTIUTBSKGNRRA-JTQLQIEISA-N 0 3 269.414 2.040 10 0 CEAEHN CCC(CC)N(CCO)Cc1cccnc1NC ZINC000052729118 521553334 /nfs/dbraw/zinc/55/33/34/521553334.db2.gz XZFDQPNGUFIOEI-UHFFFAOYSA-N 0 3 251.374 2.106 10 0 CEAEHN CCCN(CC)C[C@@](NC1CC1)(C(=O)OCC)C1CC1 ZINC000069098056 521612048 /nfs/dbraw/zinc/61/20/48/521612048.db2.gz AWXHEHVEUYEBHI-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CNCc1occc1Cn1ccc(C(F)(F)F)n1 ZINC000052592498 522163756 /nfs/dbraw/zinc/16/37/56/522163756.db2.gz LTYZAWUBLLXGKM-UHFFFAOYSA-N 0 3 259.231 2.263 10 0 CEAEHN CC(C)(C)N1CCN(c2ncc(CNC3CC3)s2)CC1 ZINC000054908854 518713704 /nfs/dbraw/zinc/71/37/04/518713704.db2.gz KJFDRGNBJZTWKP-UHFFFAOYSA-N 0 3 294.468 2.316 10 0 CEAEHN CC(C)(C)NC(=O)[C@H](CN)Cc1ccc2ncccc2c1 ZINC000069500514 518748144 /nfs/dbraw/zinc/74/81/44/518748144.db2.gz XZYFZQMKSHUHJE-AWEZNQCLSA-N 0 3 285.391 2.267 10 0 CEAEHN CC(C)(C)NCc1nc(Cn2ccnc2)cs1 ZINC000052575364 518768756 /nfs/dbraw/zinc/76/87/56/518768756.db2.gz AIKJLTRPYQTAOZ-UHFFFAOYSA-N 0 3 250.371 2.276 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N)ccc1F ZINC000049550969 519338126 /nfs/dbraw/zinc/33/81/26/519338126.db2.gz JGFGJQBXIOYUON-GFCCVEGCSA-N 0 3 281.375 2.114 10 0 CEAEHN CC(C)CN[C@@]1(C(N)=O)CCCc2sccc21 ZINC000061329872 519749685 /nfs/dbraw/zinc/74/96/85/519749685.db2.gz IRVKIJTZDLHGAC-ZDUSSCGKSA-N 0 3 252.383 2.011 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccc(Cl)c(F)c1 ZINC000054762531 519748769 /nfs/dbraw/zinc/74/87/69/519748769.db2.gz TWNXDDMHWXPUNA-UHFFFAOYSA-N 0 3 283.738 2.200 10 0 CEAEHN CCCN1CCN([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024533 519859457 /nfs/dbraw/zinc/85/94/57/519859457.db2.gz PZYVTZAAYWHYLC-HNNXBMFYSA-N 0 3 291.464 2.432 10 0 CEAEHN CCCNC(=O)[C@H](CN)Cc1ccc(OCCC)cc1 ZINC000052919415 519894693 /nfs/dbraw/zinc/89/46/93/519894693.db2.gz FZADOYGHHCXTEN-AWEZNQCLSA-N 0 3 278.396 2.119 10 0 CEAEHN CCCC1CCN(CC[C@](C)(N)C(=O)OCC)CC1 ZINC000050905721 519901318 /nfs/dbraw/zinc/90/13/18/519901318.db2.gz TZYDIMLKZHDWFD-HNNXBMFYSA-N 0 3 270.417 2.169 10 0 CEAEHN CCCC1CCN(c2c(CN)c(C)nn2C)CC1 ZINC000050894291 519903246 /nfs/dbraw/zinc/90/32/46/519903246.db2.gz KGIHXOZAFYBDQR-UHFFFAOYSA-N 0 3 250.390 2.204 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000061290677 519906728 /nfs/dbraw/zinc/90/67/28/519906728.db2.gz KEJMLDDSSFYZFL-UHFFFAOYSA-N 0 3 298.770 2.453 10 0 CEAEHN CCCNCc1cccc(OCC)c1O[C@@H](CC)C(N)=O ZINC000061675788 519955062 /nfs/dbraw/zinc/95/50/62/519955062.db2.gz DEHXFEQQRUAAPF-ZDUSSCGKSA-N 0 3 294.395 2.228 10 0 CEAEHN CCNCc1cc(CN(C)[C@H](C)COC)c(C)o1 ZINC000052511918 519987008 /nfs/dbraw/zinc/98/70/08/519987008.db2.gz AKFREHJBFTVUIS-LLVKDONJSA-N 0 3 254.374 2.164 10 0 CEAEHN CCNCc1cc(Cn2nnc3ccccc32)c(C)o1 ZINC000052576722 519992435 /nfs/dbraw/zinc/99/24/35/519992435.db2.gz AMZVKHNKKRQFNI-UHFFFAOYSA-N 0 3 270.336 2.491 10 0 CEAEHN CCNCc1cn(CCN2CCC[C@@H]3CCCC[C@@H]32)nn1 ZINC000052482555 520012544 /nfs/dbraw/zinc/01/25/44/520012544.db2.gz STGHTZZWOUBURA-HOCLYGCPSA-N 0 3 291.443 2.042 10 0 CEAEHN CCCN[C@@](CSc1nc(C)cs1)(C(N)=O)C1CC1 ZINC000069187879 520056778 /nfs/dbraw/zinc/05/67/78/520056778.db2.gz ZRTTUMJIZBETTR-CYBMUJFWSA-N 0 3 299.465 2.177 10 0 CEAEHN CCCN[C@H](CN1CCC(CCC)CC1)C(=O)OC ZINC000050905873 520083165 /nfs/dbraw/zinc/08/31/65/520083165.db2.gz UGKPGXLQLKPDFQ-CQSZACIVSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOC[C@@H](O)COc1ccc2c(c1)OC(C)(C)C[C@@H]2N ZINC000069275726 520107300 /nfs/dbraw/zinc/10/73/00/520107300.db2.gz PGAVSNWQKVBEJQ-RISCZKNCSA-N 0 3 295.379 2.024 10 0 CEAEHN CCN[C@@H](Cn1nc(C)ccc1=O)c1ccc(CC)cc1 ZINC000061810200 520108323 /nfs/dbraw/zinc/10/83/23/520108323.db2.gz ZQCORWFKKUBYLZ-INIZCTEOSA-N 0 3 285.391 2.465 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000062806659 520111398 /nfs/dbraw/zinc/11/13/98/520111398.db2.gz CQBWMBNTXCDTIS-WBVHZDCISA-N 0 3 288.391 2.425 10 0 CEAEHN CCN[C@@H]1COc2cc(O[C@@H](C)C(=O)OCC)ccc21 ZINC000062804635 520124125 /nfs/dbraw/zinc/12/41/25/520124125.db2.gz SNSKZJSMIUCPPH-GXFFZTMASA-N 0 3 279.336 2.060 10 0 CEAEHN CCN[C@@H]1COc2cc(OCC(=O)OC(C)C)ccc21 ZINC000062804551 520124324 /nfs/dbraw/zinc/12/43/24/520124324.db2.gz TVAYUPZSXQDHJJ-CYBMUJFWSA-N 0 3 279.336 2.060 10 0 CEAEHN CCCNc1ccc(C)cc1C(=O)NC[C@H](C)N(C)C ZINC000053004147 520153905 /nfs/dbraw/zinc/15/39/05/520153905.db2.gz QGJXNOMFYSMXSP-ZDUSSCGKSA-N 0 3 277.412 2.497 10 0 CEAEHN CC[NH2+][C@H](C)c1nc2cc(Br)cnc2[n-]1 ZINC000062366671 520181003 /nfs/dbraw/zinc/18/10/03/520181003.db2.gz MPHBMYWFZPRZHK-ZCFIWIBFSA-N 0 3 269.146 2.391 10 0 CEAEHN CCN[C@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000062366671 520181011 /nfs/dbraw/zinc/18/10/11/520181011.db2.gz MPHBMYWFZPRZHK-ZCFIWIBFSA-N 0 3 269.146 2.391 10 0 CEAEHN CCCNc1ncccc1CN1CCN(CCC)CC1 ZINC000052709704 520196000 /nfs/dbraw/zinc/19/60/00/520196000.db2.gz DCYNNUJYHUNMEB-UHFFFAOYSA-N 0 3 276.428 2.431 10 0 CEAEHN CCN[C@H](c1ccc(OC)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299865 520208529 /nfs/dbraw/zinc/20/85/29/520208529.db2.gz LZTFCGIDLGTXPF-UONOGXRCSA-N 0 3 285.771 2.415 10 0 CEAEHN CCCCCNC(=O)[C@H](C)N[C@H](CC(C)C)CN(C)C ZINC000049555839 520217011 /nfs/dbraw/zinc/21/70/11/520217011.db2.gz TZRCIOOLNXMBAM-LSDHHAIUSA-N 0 3 285.476 2.247 10 0 CEAEHN CCN[C@H]1COc2cc(OC[C@H]3CCOC3)ccc21 ZINC000062804582 520221376 /nfs/dbraw/zinc/22/13/76/520221376.db2.gz GOMMEGAXTUNWSY-FZMZJTMJSA-N 0 3 263.337 2.145 10 0 CEAEHN CCN[C@](CSc1ccc(OC)cc1)(C(N)=O)C1CC1 ZINC000069186981 520253260 /nfs/dbraw/zinc/25/32/60/520253260.db2.gz TXSMBBKYKODPNF-HNNXBMFYSA-N 0 3 294.420 2.031 10 0 CEAEHN CCO[C@@H]1CCCN(Cc2cc(CN)c(C)o2)C1 ZINC000052372177 520318853 /nfs/dbraw/zinc/31/88/53/520318853.db2.gz IUTOXHIUGBWTDB-CYBMUJFWSA-N 0 3 252.358 2.048 10 0 CEAEHN CCO[C@@H]1CCCN(c2nc(C)c([C@@H](C)N)s2)C1 ZINC000054898709 520322403 /nfs/dbraw/zinc/32/24/03/520322403.db2.gz CXVNUBOYVCXRDG-MWLCHTKSSA-N 0 3 269.414 2.477 10 0 CEAEHN CCCOc1ccc([C@H](NCC(C)C)C(N)=O)cc1 ZINC000052920236 520430304 /nfs/dbraw/zinc/43/03/04/520430304.db2.gz AGDVUYVBHPACAV-AWEZNQCLSA-N 0 3 264.369 2.247 10 0 CEAEHN CCCOc1cccc([C@H](NC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000052921185 520469561 /nfs/dbraw/zinc/46/95/61/520469561.db2.gz GXNFQLITROTKNJ-HIFRSBDPSA-N 0 3 297.420 2.171 10 0 CEAEHN CCO[C@H]1CCCN(Cc2cc(CNC)c(C)o2)C1 ZINC000052372148 520526094 /nfs/dbraw/zinc/52/60/94/520526094.db2.gz PCSSBTHPJPZNHU-AWEZNQCLSA-N 0 3 266.385 2.308 10 0 CEAEHN CCO[C@H]1CCCN(c2ccccc2CNCCOC)C1 ZINC000062737551 520527080 /nfs/dbraw/zinc/52/70/80/520527080.db2.gz YQRZLLZRRFHHFG-INIZCTEOSA-N 0 3 292.423 2.428 10 0 CEAEHN CCCCOC[C@H](O)CN1CCc2ccsc2C1 ZINC000279677856 520810627 /nfs/dbraw/zinc/81/06/27/520810627.db2.gz GFRRKZVSNZJZFK-CYBMUJFWSA-N 0 3 269.410 2.284 10 0 CEAEHN CCC[C@@](C)(CO)CN1CCN(CC(C)C)CC1 ZINC000055082288 520910757 /nfs/dbraw/zinc/91/07/57/520910757.db2.gz QVDDWLWARNCUOT-OAHLLOKOSA-N 0 3 256.434 2.059 10 0 CEAEHN CCC[C@@](C)(N)C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547228 520921512 /nfs/dbraw/zinc/92/15/12/520921512.db2.gz APGVVSRJPMHABI-QMTHXVAHSA-N 0 3 250.342 2.196 10 0 CEAEHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000069237076 520963904 /nfs/dbraw/zinc/96/39/04/520963904.db2.gz DOFDGIQEPLCLAT-JTQLQIEISA-N 0 3 279.359 2.467 10 0 CEAEHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccc(F)cc1N ZINC000069236906 520964801 /nfs/dbraw/zinc/96/48/01/520964801.db2.gz VDNHDMKEMZEYGL-JTQLQIEISA-N 0 3 279.359 2.467 10 0 CEAEHN CCN(CC1CC1)[C@H](C)C(=O)Nc1ccc(OC)cc1N ZINC000069237156 520968321 /nfs/dbraw/zinc/96/83/21/520968321.db2.gz DBWAVBOZZRIOQR-LLVKDONJSA-N 0 3 291.395 2.336 10 0 CEAEHN CCN(CC[C@@H](NC(C)C)C(N)=O)c1ccccc1C ZINC000062438009 521155726 /nfs/dbraw/zinc/15/57/26/521155726.db2.gz WBMUVHQQAXZPBO-CQSZACIVSA-N 0 3 277.412 2.063 10 0 CEAEHN CCC[C@H]1CCC(=O)[C@H](CN(CCO)C2CC2)C1 ZINC000053931058 521201583 /nfs/dbraw/zinc/20/15/83/521201583.db2.gz VOLXRGBSOJUXNO-STQMWFEESA-N 0 3 253.386 2.229 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555880 521331642 /nfs/dbraw/zinc/33/16/42/521331642.db2.gz ULOHBVXYDJEJRW-KGLIPLIRSA-N 0 3 285.476 2.246 10 0 CEAEHN CCOC(=O)[C@](CN1CCC(C)CC1)(NC(C)C)C1CC1 ZINC000069092655 521340448 /nfs/dbraw/zinc/34/04/48/521340448.db2.gz BKZOKQBOGFJDOU-QGZVFWFLSA-N 0 3 296.455 2.428 10 0 CEAEHN CCN(Cc1cccs1)c1ccnc(C(=N)N)c1 ZINC000061814210 521409128 /nfs/dbraw/zinc/40/91/28/521409128.db2.gz DIZBXPMTAYISFO-UHFFFAOYSA-N 0 3 260.366 2.454 10 0 CEAEHN CCN(Cc1cccs1)Cc1ccnc(C(=N)N)c1 ZINC000068761403 521409521 /nfs/dbraw/zinc/40/95/21/521409521.db2.gz JWNMJUMRVVGMFD-UHFFFAOYSA-N 0 3 274.393 2.449 10 0 CEAEHN CCN(c1nc(C)c([C@H](C)N)s1)[C@@H](C)COC ZINC000054896660 521505737 /nfs/dbraw/zinc/50/57/37/521505737.db2.gz YWUUEPFFXHSZAN-IUCAKERBSA-N 0 3 257.403 2.332 10 0 CEAEHN CCN1C(=O)CCC[C@@H](N)[C@@H]1c1ccccc1OC ZINC000070294886 521517082 /nfs/dbraw/zinc/51/70/82/521517082.db2.gz WFLHULYHGDKQEP-DOMZBBRYSA-N 0 3 262.353 2.096 10 0 CEAEHN CCCc1nc(N(C)[C@@H]2CCCN(C)C2)sc1CO ZINC000055003697 521529493 /nfs/dbraw/zinc/52/94/93/521529493.db2.gz WIYMXWIQNDHJTI-LLVKDONJSA-N 0 3 283.441 2.118 10 0 CEAEHN CCCN(CC1CC1)c1nc2ccccn2c1CN ZINC000048995415 521627388 /nfs/dbraw/zinc/62/73/88/521627388.db2.gz NGZHTHXRVFFNEH-UHFFFAOYSA-N 0 3 258.369 2.419 10 0 CEAEHN CCN1CCC[C@@H](Nc2nc(Cl)nc(Cl)n2)C1 ZINC000061518652 521627598 /nfs/dbraw/zinc/62/75/98/521627598.db2.gz AUHLXCWXDCKJOY-SSDOTTSWSA-N 0 3 276.171 2.075 10 0 CEAEHN CCCn1cc(N)cc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000049550983 521654077 /nfs/dbraw/zinc/65/40/77/521654077.db2.gz PGLXSZDFNDKNOQ-AWEZNQCLSA-N 0 3 294.443 2.186 10 0 CEAEHN CCCN(CCN(C)C)Cc1ccc(NCC)nc1 ZINC000050816481 521657961 /nfs/dbraw/zinc/65/79/61/521657961.db2.gz RMGMGJDWCMGJBP-UHFFFAOYSA-N 0 3 264.417 2.287 10 0 CEAEHN CCCN1C(=O)CC[C@@H](N)[C@H]1c1ccc(OC)c(OC)c1 ZINC000062212132 521699161 /nfs/dbraw/zinc/69/91/61/521699161.db2.gz DXZKCLIEUVGJMM-MLGOLLRUSA-N 0 3 292.379 2.105 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=O)c1cccc2c1NCCC2 ZINC000061652109 521834510 /nfs/dbraw/zinc/83/45/10/521834510.db2.gz WMXMRLFTQHKXQY-AWEZNQCLSA-N 0 3 287.407 2.211 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000052554663 521859979 /nfs/dbraw/zinc/85/99/79/521859979.db2.gz RRGKQBXYYQEACK-HNNXBMFYSA-N 0 3 269.348 2.114 10 0 CEAEHN CN(C)C[C@H](O)CNc1cc(C(F)(F)F)ccc1F ZINC000062656505 521861723 /nfs/dbraw/zinc/86/17/23/521861723.db2.gz WHVYQFASIOWENR-SECBINFHSA-N 0 3 280.265 2.179 10 0 CEAEHN CCc1ccccc1O[C@H](C)C[C@@](C)(NC1CC1)C(N)=O ZINC000068657441 521925559 /nfs/dbraw/zinc/92/55/59/521925559.db2.gz AEGGMYUBWHLQJV-SJKOYZFVSA-N 0 3 290.407 2.402 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)OC ZINC000061300714 521939940 /nfs/dbraw/zinc/93/99/40/521939940.db2.gz IVXSXLWSWHNXCF-UHFFFAOYSA-N 0 3 284.743 2.063 10 0 CEAEHN CNC(C)(C)C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000061318604 521944479 /nfs/dbraw/zinc/94/44/79/521944479.db2.gz QSJIKARHOCPVCA-UHFFFAOYSA-N 0 3 284.381 2.088 10 0 CEAEHN CNCc1c(C)nc(Cc2nc(C)cs2)nc1C ZINC000055270055 522099866 /nfs/dbraw/zinc/09/98/66/522099866.db2.gz MVMGKMTXYITMEP-UHFFFAOYSA-N 0 3 262.382 2.169 10 0 CEAEHN CNCc1c(C)nn(CCOCCC(C)C)c1C ZINC000049267823 522100807 /nfs/dbraw/zinc/10/08/07/522100807.db2.gz CGYUBISAWMXJQZ-UHFFFAOYSA-N 0 3 253.390 2.282 10 0 CEAEHN CNCc1cnc(C2(c3ccccc3)CCOCC2)nc1 ZINC000062784135 522145466 /nfs/dbraw/zinc/14/54/66/522145466.db2.gz VATMVHMNPMJAIX-UHFFFAOYSA-N 0 3 283.375 2.293 10 0 CEAEHN CN(C)c1ccc([C@H](O)[C@H](N)c2ccccc2)cc1 ZINC000054682921 522250516 /nfs/dbraw/zinc/25/05/16/522250516.db2.gz ANBLNQIKZPXWPE-CVEARBPZSA-N 0 3 256.349 2.486 10 0 CEAEHN CC[C@@H](C)[C@@H](C)N[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000049093484 522298793 /nfs/dbraw/zinc/29/87/93/522298793.db2.gz CBENDXXPVHJBDA-YRGRVCCFSA-N 0 3 274.364 2.343 10 0 CEAEHN CN[C@@H](CCOc1ccc(C)cc1C(C)(C)C)C(N)=O ZINC000062547345 522349227 /nfs/dbraw/zinc/34/92/27/522349227.db2.gz VORNRPAYQKISHC-ZDUSSCGKSA-N 0 3 278.396 2.135 10 0 CEAEHN CCc1nc(N(C)CCOC)sc1CNC1CC1 ZINC000055001776 522379058 /nfs/dbraw/zinc/37/90/58/522379058.db2.gz JNFDFVDKFJZJLL-UHFFFAOYSA-N 0 3 269.414 2.040 10 0 CEAEHN CN[C@@H]1CCCc2nc(Cc3nc(C)cs3)ncc21 ZINC000055269743 522391118 /nfs/dbraw/zinc/39/11/18/522391118.db2.gz GCJFDIGIOWCVPL-LLVKDONJSA-N 0 3 274.393 2.429 10 0 CEAEHN CN[C@@](COc1ccccc1C(C)(C)C)(C(N)=O)C1CC1 ZINC000069196956 522430034 /nfs/dbraw/zinc/43/00/34/522430034.db2.gz AVGVWTVEIJNCBG-QGZVFWFLSA-N 0 3 290.407 2.216 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1ncccn1 ZINC000062746311 522447074 /nfs/dbraw/zinc/44/70/74/522447074.db2.gz TZXSNKZFWLQLSQ-SNVBAGLBSA-N 0 3 261.300 2.475 10 0 CEAEHN CN[C@H](c1ccc(Br)s1)[C@H]1COCCO1 ZINC000055301045 522480296 /nfs/dbraw/zinc/48/02/96/522480296.db2.gz WOVVRBLFDOLCEF-XCBNKYQSSA-N 0 3 292.198 2.187 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCCO1 ZINC000050961522 522482169 /nfs/dbraw/zinc/48/21/69/522482169.db2.gz VRWQWOAZMHIHCM-GOEBONIOSA-N 0 3 274.364 2.401 10 0 CEAEHN CN[C@](C)(C[C@H](C)Oc1ccccc1C(C)C)C(N)=O ZINC000068657025 522525702 /nfs/dbraw/zinc/52/57/02/522525702.db2.gz TZQAOGZTKMXDLX-BLLLJJGKSA-N 0 3 278.396 2.431 10 0 CEAEHN CNc1ccc(C)cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000053003399 522603389 /nfs/dbraw/zinc/60/33/89/522603389.db2.gz QCFRCFNINPILSG-ZDUSSCGKSA-N 0 3 275.396 2.108 10 0 CEAEHN CNc1ccc(C)cc1C(=O)NC[C@@H]1CCCCN1C ZINC000053003517 522604774 /nfs/dbraw/zinc/60/47/74/522604774.db2.gz GXNRYIRIYNZWDN-ZDUSSCGKSA-N 0 3 275.396 2.251 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1ccc(OC)c(F)c1)C(F)(F)F ZINC000062784662 522655836 /nfs/dbraw/zinc/65/58/36/522655836.db2.gz HDZCWOABXGQJPY-GHMZBOCLSA-N 0 3 281.249 2.322 10 0 CEAEHN CC[C@H](Oc1ccc(OC)cc1CNC(C)(C)C)C(N)=O ZINC000062727572 522873909 /nfs/dbraw/zinc/87/39/09/522873909.db2.gz YHMYHOWDUFOEGV-ZDUSSCGKSA-N 0 3 294.395 2.226 10 0 CEAEHN CC[C@@H](N[C@H](C)C(=O)N1CCOCC1)c1cccs1 ZINC000049530656 522930272 /nfs/dbraw/zinc/93/02/72/522930272.db2.gz GMAPFUYKQFIUHK-VXGBXAGGSA-N 0 3 282.409 2.036 10 0 CEAEHN COCc1cccc(NC(=O)[C@H]2CCC[C@@H](C)N2)c1 ZINC000049511981 523073849 /nfs/dbraw/zinc/07/38/49/523073849.db2.gz YRZMFUIYVXXCTR-BXUZGUMPSA-N 0 3 262.353 2.302 10 0 CEAEHN CC[C@H]1CN(c2ccc(F)cc2CNCCOC)CCO1 ZINC000062735906 523304605 /nfs/dbraw/zinc/30/46/05/523304605.db2.gz JDDABLDJBLWQTL-HNNXBMFYSA-N 0 3 296.386 2.177 10 0 CEAEHN CC[C@H]1COCCN1c1nc(C2CC2)c(CN)s1 ZINC000069179959 523338782 /nfs/dbraw/zinc/33/87/82/523338782.db2.gz LJXNLKRSGAKLMH-JTQLQIEISA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@H]1CSC(N[C@@H](CC(C)C)CN(C)C)=N1 ZINC000049559156 523356100 /nfs/dbraw/zinc/35/61/00/523356100.db2.gz PDTYFUISSKAAFU-RYUDHWBXSA-N 0 3 257.447 2.434 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558297 523501315 /nfs/dbraw/zinc/50/13/15/523501315.db2.gz GZXDLOMKLLUYAU-TUVASFSCSA-N 0 3 255.402 2.283 10 0 CEAEHN CC[C@@H]1COCCN1c1cc(Cl)ccc1CN ZINC000062786855 523501941 /nfs/dbraw/zinc/50/19/41/523501941.db2.gz MYDLPCKPJXDGLV-GFCCVEGCSA-N 0 3 254.761 2.414 10 0 CEAEHN CC[C@@H]1COCCN1c1nc(C)c([C@@H](C)N)s1 ZINC000054895993 523503796 /nfs/dbraw/zinc/50/37/96/523503796.db2.gz VECFNQHYUJTWOC-PSASIEDQSA-N 0 3 255.387 2.086 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1nc(C2CC2)c(CN)s1 ZINC000069181391 523510286 /nfs/dbraw/zinc/51/02/86/523510286.db2.gz HGNVDLLRTKUSQI-GXSJLCMTSA-N 0 3 281.425 2.483 10 0 CEAEHN CCn1ccnc1[C@@H](Cc1cccc(OC)c1)NC ZINC000069497921 523554617 /nfs/dbraw/zinc/55/46/17/523554617.db2.gz XBBNHPHMVWEFIG-CQSZACIVSA-N 0 3 259.353 2.415 10 0 CEAEHN COCCN(CC(C)C)c1ncc([C@@H](C)N)s1 ZINC000054896793 523680793 /nfs/dbraw/zinc/68/07/93/523680793.db2.gz CMUJKLMUSWKSFK-SNVBAGLBSA-N 0 3 257.403 2.272 10 0 CEAEHN CN(c1nc(C(C)(C)C)c(CO)s1)[C@@H]1CCCN(C)C1 ZINC000055003689 523660469 /nfs/dbraw/zinc/66/04/69/523660469.db2.gz NKRUPPQNFHMCOR-LLVKDONJSA-N 0 3 297.468 2.463 10 0 CEAEHN COCCN([C@@H](CN)c1cc(F)c(F)c(F)c1)C1CC1 ZINC000062710898 523780513 /nfs/dbraw/zinc/78/05/13/523780513.db2.gz FOSJOGJFGRPEFL-ZDUSSCGKSA-N 0 3 288.313 2.215 10 0 CEAEHN CN1CCCN(Cc2ccc(Cl)cc2N)CC1 ZINC000050442874 523810145 /nfs/dbraw/zinc/81/01/45/523810145.db2.gz OGEOQJNMYGLZBN-UHFFFAOYSA-N 0 3 253.777 2.060 10 0 CEAEHN COc1ccc(C2(O)CCN(C(C)C)CC2)c(OC)c1 ZINC000055232483 523870000 /nfs/dbraw/zinc/87/00/00/523870000.db2.gz GWTMBDPFICFUER-UHFFFAOYSA-N 0 3 279.380 2.396 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1ccc(NC)nc1 ZINC000050817004 523938519 /nfs/dbraw/zinc/93/85/19/523938519.db2.gz SHVZHNMBXOJETO-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN COCCNCc1c(C)nc(C2CCCC2)nc1C ZINC000054854555 523946297 /nfs/dbraw/zinc/94/62/97/523946297.db2.gz RMXSNPNLSAULQE-UHFFFAOYSA-N 0 3 263.385 2.487 10 0 CEAEHN COCCNCc1cc(F)ccc1-n1ccc(C)n1 ZINC000062738928 523950160 /nfs/dbraw/zinc/95/01/60/523950160.db2.gz SMTHAMPDKZNANV-UHFFFAOYSA-N 0 3 263.316 2.056 10 0 CEAEHN COCCNCc1cc(F)ccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000062734272 523950302 /nfs/dbraw/zinc/95/03/02/523950302.db2.gz BTSXYVSPARJJRF-BETUJISGSA-N 0 3 296.386 2.175 10 0 CEAEHN COCCNCc1cc2ccccc2nc1N(C)C ZINC000062734885 523951657 /nfs/dbraw/zinc/95/16/57/523951657.db2.gz GWVBLPQYGFDAIS-UHFFFAOYSA-N 0 3 259.353 2.037 10 0 CEAEHN COCCNCc1ccc(OC)cc1OCC(C)C ZINC000062733274 523952112 /nfs/dbraw/zinc/95/21/12/523952112.db2.gz VAXRJKHVFZZHDR-UHFFFAOYSA-N 0 3 267.369 2.466 10 0 CEAEHN CC[C@H](C)N1CCN(CCc2ccccc2N)CC1 ZINC000055063573 523954051 /nfs/dbraw/zinc/95/40/51/523954051.db2.gz ORSLAAGVOVUMCZ-AWEZNQCLSA-N 0 3 261.413 2.227 10 0 CEAEHN COCCNCc1ccnc(-c2ccc(C)cc2)n1 ZINC000054792568 523956120 /nfs/dbraw/zinc/95/61/20/523956120.db2.gz IVXINQYXWXMUDB-UHFFFAOYSA-N 0 3 257.337 2.188 10 0 CEAEHN COCCNCc1nc(C)c(-c2ccc(OC)cc2)[nH]1 ZINC000069236711 523956489 /nfs/dbraw/zinc/95/64/89/523956489.db2.gz MDRHWLLSIQSXBQ-UHFFFAOYSA-N 0 3 275.352 2.130 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(Cl)c(CNC)n2)CC1 ZINC000055073617 523960478 /nfs/dbraw/zinc/96/04/78/523960478.db2.gz CXMOJFKPDMNAJA-LBPRGKRZSA-N 0 3 296.846 2.375 10 0 CEAEHN CO[C@H]1CCC[C@H]1NCC(=O)Nc1ccccc1Cl ZINC000050373531 523987348 /nfs/dbraw/zinc/98/73/48/523987348.db2.gz DIKPNLQWNZOUPZ-OLZOCXBDSA-N 0 3 282.771 2.436 10 0 CEAEHN CCc1ccc(NC(=O)c2ccnc(NN)c2)cc1 ZINC000051096718 523992466 /nfs/dbraw/zinc/99/24/66/523992466.db2.gz CPKZTSIRYWYVLM-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CCc1ccc(NC(=O)c2cc[nH]c(=NN)c2)cc1 ZINC000051096718 523992469 /nfs/dbraw/zinc/99/24/69/523992469.db2.gz CPKZTSIRYWYVLM-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN COC(=O)[C@](C)(CN1CCC[C@H](C)[C@H]1C)NC(C)C ZINC000050567245 523999315 /nfs/dbraw/zinc/99/93/15/523999315.db2.gz MVYQVJPIWDAMQI-GUTXKFCHSA-N 0 3 270.417 2.037 10 0 CEAEHN COC(=O)[C@](CN(C)CC(C)(C)C)(NC1CC1)C1CC1 ZINC000069132494 524003361 /nfs/dbraw/zinc/00/33/61/524003361.db2.gz GBXDOZQIDJDTKF-MRXNPFEDSA-N 0 3 282.428 2.038 10 0 CEAEHN COCCO[C@@H](CNC1CC1)c1ccccc1OC ZINC000050496051 524029263 /nfs/dbraw/zinc/02/92/63/524029263.db2.gz AJXOMKDONUYQIJ-HNNXBMFYSA-N 0 3 265.353 2.151 10 0 CEAEHN COc1ccc(Cl)cc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069132684 524196149 /nfs/dbraw/zinc/19/61/49/524196149.db2.gz XXOQBYAWBJAWCA-UWVGGRQHSA-N 0 3 282.771 2.171 10 0 CEAEHN C[C@H]1CCC[C@H](SCCN[C@@H]2CCS(=O)(=O)C2)C1 ZINC000054696728 524210779 /nfs/dbraw/zinc/21/07/79/524210779.db2.gz JHDJPYSZSNSNJK-XQQFMLRXSA-N 0 3 291.482 2.075 10 0 CEAEHN C[C@H](CN(C)Cc1ccc(F)cc1F)C(N)=S ZINC000050884870 524296510 /nfs/dbraw/zinc/29/65/10/524296510.db2.gz UYCPFOUCLJXEPH-MRVPVSSYSA-N 0 3 258.337 2.319 10 0 CEAEHN C[C@H](CN1CCCC1)Nc1ccc(C(N)=S)cc1F ZINC000049186050 524319128 /nfs/dbraw/zinc/31/91/28/524319128.db2.gz KVMKJNRVPNGMIG-SNVBAGLBSA-N 0 3 281.400 2.356 10 0 CEAEHN C[C@H](CN1CCCCC1)Nc1cc(Cl)ncn1 ZINC000049503128 524333526 /nfs/dbraw/zinc/33/35/26/524333526.db2.gz MOCGMTSOFZCZTP-SNVBAGLBSA-N 0 3 254.765 2.416 10 0 CEAEHN Cc1cccc(N2CCN([C@H](CN)c3ccoc3)CC2)c1 ZINC000063047632 524559857 /nfs/dbraw/zinc/55/98/57/524559857.db2.gz OSNBDFHZBOEFMT-QGZVFWFLSA-N 0 3 285.391 2.410 10 0 CEAEHN C[C@@H](CN(C)Cc1ccc(F)cc1F)C(N)=S ZINC000050884869 524573224 /nfs/dbraw/zinc/57/32/24/524573224.db2.gz UYCPFOUCLJXEPH-QMMMGPOBSA-N 0 3 258.337 2.319 10 0 CEAEHN COc1ccc(NC(=O)[C@H](N)CC(C)C)cc1C ZINC000049531981 524609275 /nfs/dbraw/zinc/60/92/75/524609275.db2.gz CEXBVUUGHOGPPR-GFCCVEGCSA-N 0 3 250.342 2.316 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000069133306 524696568 /nfs/dbraw/zinc/69/65/68/524696568.db2.gz CYXBAOMAJDNNPC-HOGDBLQHSA-N 0 3 276.424 2.412 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc(Br)cc1 ZINC000069133303 524697952 /nfs/dbraw/zinc/69/79/52/524697952.db2.gz ZLBSSZKYNCFGEF-UWVGGRQHSA-N 0 3 297.196 2.272 10 0 CEAEHN C[C@H](Cc1ccsc1)N[C@H](C)C(=O)N1CCCC1 ZINC000049182685 524763960 /nfs/dbraw/zinc/76/39/60/524763960.db2.gz XSVRNRXEQBGWBO-VXGBXAGGSA-N 0 3 266.410 2.280 10 0 CEAEHN Cc1cc(F)ccc1[C@H](CN)N1CCOC(C)(C)C1 ZINC000050578633 525008235 /nfs/dbraw/zinc/00/82/35/525008235.db2.gz GHTHVYMLPYFKHV-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN C[C@@H]1CN(c2nc(C3CC3)c(CN)s2)C[C@@H](C)O1 ZINC000069146668 525071473 /nfs/dbraw/zinc/07/14/73/525071473.db2.gz FKBJYFHEHMIAHC-RKDXNWHRSA-N 0 3 267.398 2.093 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Nc1ccc(F)cc1 ZINC000069133504 525095743 /nfs/dbraw/zinc/09/57/43/525095743.db2.gz ACRCYZZCXHCIQT-NXEZZACHSA-N 0 3 251.305 2.040 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)CCCc1cccs1 ZINC000069133043 525096063 /nfs/dbraw/zinc/09/60/63/525096063.db2.gz LHALWQDNDSMSEB-VXGBXAGGSA-N 0 3 266.410 2.280 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cccc2cccnc21 ZINC000069133468 525097771 /nfs/dbraw/zinc/09/77/71/525097771.db2.gz FEKAETHQYHERHX-VXGBXAGGSA-N 0 3 269.348 2.057 10 0 CEAEHN C[C@](N)(CCCOc1ccc2ccccc2c1)C(N)=O ZINC000045519442 525147827 /nfs/dbraw/zinc/14/78/27/525147827.db2.gz VYMWRHWJPGAMCD-INIZCTEOSA-N 0 3 272.348 2.202 10 0 CEAEHN Cc1ccc(NS(=O)(=O)C[C@@H]2CCCCN2)cc1F ZINC000049630863 525292960 /nfs/dbraw/zinc/29/29/60/525292960.db2.gz JGZORTLZSMKJKA-LBPRGKRZSA-N 0 3 286.372 2.018 10 0 CEAEHN Cc1ccccc1O[C@@H](C)C[C@@](C)(NC1CC1)C(N)=O ZINC000068656323 525321962 /nfs/dbraw/zinc/32/19/62/525321962.db2.gz GRGNGLZXZNKWCA-BLLLJJGKSA-N 0 3 276.380 2.148 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000049560320 525336034 /nfs/dbraw/zinc/33/60/34/525336034.db2.gz ZVDVRZJYRCRRLN-CYBMUJFWSA-N 0 3 278.396 2.407 10 0 CEAEHN Cc1ccc(O[C@H](C)C[C@](C)(NC2CC2)C(N)=O)c(C)c1 ZINC000068655174 525470217 /nfs/dbraw/zinc/47/02/17/525470217.db2.gz QNOVECKNYOHGMV-DYVFJYSZSA-N 0 3 290.407 2.457 10 0 CEAEHN Cc1cc([C@@H]2[C@@H](N)CC(=O)N2CC(C)C)ccc1F ZINC000070294465 525499049 /nfs/dbraw/zinc/49/90/49/525499049.db2.gz LNNPAYWFSWOGIR-DZGCQCFKSA-N 0 3 264.344 2.391 10 0 CEAEHN Cc1ccc([C@@H](C)NS(=O)(=O)C[C@@H]2CCCCN2)cc1 ZINC000049631548 525738340 /nfs/dbraw/zinc/73/83/40/525738340.db2.gz XPLOBVZXYKUSRG-HIFRSBDPSA-N 0 3 296.436 2.118 10 0 CEAEHN Cc1ccc(C(=O)CN2CCC[C@H]2CN(C)C)cc1 ZINC000061645631 526048512 /nfs/dbraw/zinc/04/85/12/526048512.db2.gz DQCZDEWQGHSWLR-HNNXBMFYSA-N 0 3 260.381 2.204 10 0 CEAEHN Cc1nc(C)n(Cc2csc(CNC(C)(C)C)n2)n1 ZINC000052574342 526765358 /nfs/dbraw/zinc/76/53/58/526765358.db2.gz LIHPBBYFHZNFMD-UHFFFAOYSA-N 0 3 279.413 2.288 10 0 CEAEHN N=C(N)c1cc(Cn2cc(-c3ccccc3)cn2)ccn1 ZINC000068762160 526820508 /nfs/dbraw/zinc/82/05/08/526820508.db2.gz NYRGYUDRBQUJNN-UHFFFAOYSA-N 0 3 277.331 2.277 10 0 CEAEHN N=C(N)c1cc(Cn2ccnc2-c2cccs2)ccn1 ZINC000068762138 526820805 /nfs/dbraw/zinc/82/08/05/526820805.db2.gz FFOHNNAYQKUKPE-UHFFFAOYSA-N 0 3 283.360 2.339 10 0 CEAEHN N=C(N)c1cc(Sc2nc3ccccc3[nH]2)ccn1 ZINC000061814686 526821484 /nfs/dbraw/zinc/82/14/84/526821484.db2.gz MRMPPTPPSMGJSB-UHFFFAOYSA-N 0 3 269.333 2.393 10 0 CEAEHN Cc1nc(CN(C)CCN(C)Cc2ccc(F)cc2)no1 ZINC000161684088 526839843 /nfs/dbraw/zinc/83/98/43/526839843.db2.gz VYJMPBDMCMQPOM-UHFFFAOYSA-N 0 3 292.358 2.081 10 0 CEAEHN Cc1nc(N(C)C2CCOCC2)sc1CNC1CC1 ZINC000054997872 526950527 /nfs/dbraw/zinc/95/05/27/526950527.db2.gz XWALDENFEYOLSX-UHFFFAOYSA-N 0 3 281.425 2.319 10 0 CEAEHN Cc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1CNC1CC1 ZINC000054995461 526973733 /nfs/dbraw/zinc/97/37/33/526973733.db2.gz HNQHPGCVONJHEX-NXEZZACHSA-N 0 3 281.425 2.317 10 0 CEAEHN Clc1ccccc1-c1cc(N2CCNCC2)n[nH]1 ZINC000062669898 526983483 /nfs/dbraw/zinc/98/34/83/526983483.db2.gz JJERJDRGEFLPML-UHFFFAOYSA-N 0 3 262.744 2.140 10 0 CEAEHN NC(=S)c1ccc(CN2CCC[C@H]2CCCO)c(F)c1 ZINC000052759760 527117549 /nfs/dbraw/zinc/11/75/49/527117549.db2.gz FAJLODFICXIKRR-ZDUSSCGKSA-N 0 3 296.411 2.197 10 0 CEAEHN NC(=S)c1ccc(F)cc1CN1CCCC[C@H]1CCO ZINC000069402572 527118908 /nfs/dbraw/zinc/11/89/08/527118908.db2.gz JHFYDNMEVMCLIV-ZDUSSCGKSA-N 0 3 296.411 2.197 10 0 CEAEHN NC1(c2nc(-c3cccc(-n4cnnn4)c3)cs2)CCC1 ZINC000061713528 527132239 /nfs/dbraw/zinc/13/22/39/527132239.db2.gz KRTQDGDNBWSMGA-UHFFFAOYSA-N 0 3 298.375 2.124 10 0 CEAEHN Cc1nc2ccccc2n1Cc1ccnc(C(=N)N)c1 ZINC000068762098 527172086 /nfs/dbraw/zinc/17/20/86/527172086.db2.gz AKFMQAJMGRJBMO-UHFFFAOYSA-N 0 3 265.320 2.072 10 0 CEAEHN NC[C@H](NC(=O)CC[C@H]1CCCCO1)c1ccccc1 ZINC000069405602 527226145 /nfs/dbraw/zinc/22/61/45/527226145.db2.gz CQWQUWKPAOKBSE-CABCVRRESA-N 0 3 276.380 2.152 10 0 CEAEHN NC[C@H](c1cc2ccccc2o1)N1CCCOCC1 ZINC000068811966 527228559 /nfs/dbraw/zinc/22/85/59/527228559.db2.gz VTZJYVHFOFPBRW-CYBMUJFWSA-N 0 3 260.337 2.155 10 0 CEAEHN NCc1cc(CN2c3ccccc3CCC2=O)ccn1 ZINC000068750838 527247253 /nfs/dbraw/zinc/24/72/53/527247253.db2.gz CCPAMVGRYHDZHM-UHFFFAOYSA-N 0 3 267.332 2.020 10 0 CEAEHN NCc1cc(F)c(Oc2ccc(C(N)=O)cc2)c(F)c1 ZINC000062720678 527249278 /nfs/dbraw/zinc/24/92/78/527249278.db2.gz VDTFCKGTXXUPMA-UHFFFAOYSA-N 0 3 278.258 2.315 10 0 CEAEHN NCc1cccc(Br)c1OCCCCCO ZINC000051020056 527259330 /nfs/dbraw/zinc/25/93/30/527259330.db2.gz ZCNGUOPRYRJSHM-UHFFFAOYSA-N 0 3 288.185 2.449 10 0 CEAEHN NCc1cnc(N2CCc3sccc3C2)s1 ZINC000054864345 527264045 /nfs/dbraw/zinc/26/40/45/527264045.db2.gz OXTHVRGEYFMBDI-UHFFFAOYSA-N 0 3 251.380 2.226 10 0 CEAEHN N[C@@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000054681931 527338890 /nfs/dbraw/zinc/33/88/90/527338890.db2.gz QNPDAQVEUMGMTF-JKSUJKDBSA-N 0 3 271.316 2.191 10 0 CEAEHN N[C@H](Cc1ccc(Br)cc1)c1cncnc1 ZINC000052886990 527388749 /nfs/dbraw/zinc/38/87/49/527388749.db2.gz DYMRDYHBQDIPCR-GFCCVEGCSA-N 0 3 278.153 2.482 10 0 CEAEHN N[C@H](c1cc(Cl)sc1Cl)[C@@H]1COCCO1 ZINC000055299143 527391363 /nfs/dbraw/zinc/39/13/63/527391363.db2.gz YSGRDYIXINLHID-POYBYMJQSA-N 0 3 268.165 2.470 10 0 CEAEHN N[C@H](Cn1ncccc1=O)c1ccc2ccccc2c1 ZINC000061402820 527391559 /nfs/dbraw/zinc/39/15/59/527391559.db2.gz DKCFHIFWXIHRRS-OAHLLOKOSA-N 0 3 265.316 2.097 10 0 CEAEHN N[C@H]1COc2cc(OCCc3ccccn3)ccc21 ZINC000062803649 527417791 /nfs/dbraw/zinc/41/77/91/527417791.db2.gz KACDKQXHDQZMHV-AWEZNQCLSA-N 0 3 256.305 2.095 10 0 CEAEHN Nc1cc(F)c(N[C@H]2CCN3CCC[C@H]23)c(F)c1 ZINC000049564675 527453441 /nfs/dbraw/zinc/45/34/41/527453441.db2.gz NQWNYYNOUKGAIP-NWDGAFQWSA-N 0 3 253.296 2.196 10 0 CEAEHN Cn1cnnc1Sc1cccc(Cl)c1CN ZINC000052905434 527531187 /nfs/dbraw/zinc/53/11/87/527531187.db2.gz KXVSEOPBGVYYCH-UHFFFAOYSA-N 0 3 254.746 2.078 10 0 CEAEHN Cn1nccc1[C@H](N)Cc1cccc(Br)c1 ZINC000069020627 527628526 /nfs/dbraw/zinc/62/85/26/527628526.db2.gz BNBVXWYEMAUQFH-LLVKDONJSA-N 0 3 280.169 2.425 10 0 CEAEHN OCc1sc(N2CC[C@H](N3CCCC3)C2)nc1C1CC1 ZINC000069183309 527643851 /nfs/dbraw/zinc/64/38/51/527643851.db2.gz DURRLGAMSQDAGW-LBPRGKRZSA-N 0 3 293.436 2.187 10 0 CEAEHN Cc1nn(C)c(N(C)CC2CC2)c1CNC(C)(C)C ZINC000062736586 527670216 /nfs/dbraw/zinc/67/02/16/527670216.db2.gz CNQQEJUGXXQIIQ-UHFFFAOYSA-N 0 3 264.417 2.463 10 0 CEAEHN CCCN(Cc1c(C)nn(C)c1OC)CC1CC1 ZINC000154688659 528130629 /nfs/dbraw/zinc/13/06/29/528130629.db2.gz CPOASHKWAHAKKH-UHFFFAOYSA-N 0 3 251.374 2.359 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccnc(F)c1F ZINC000097865461 528502645 /nfs/dbraw/zinc/50/26/45/528502645.db2.gz YHIJQKPZQVZYKR-SNVBAGLBSA-N 0 3 285.338 2.066 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](C)[C@@H]2C)C1 ZINC000174231794 529087815 /nfs/dbraw/zinc/08/78/15/529087815.db2.gz VPSOIDRXHQLFLP-IHRRRGAJSA-N 0 3 267.417 2.301 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nc(CC(C)C)no1 ZINC000175359930 529096990 /nfs/dbraw/zinc/09/69/90/529096990.db2.gz YZQOZUHNMURTNA-ZDUSSCGKSA-N 0 3 280.416 2.184 10 0 CEAEHN CC(C)CN1CCN(c2ccc([C@H](C)O)c(O)c2)CC1 ZINC000093672552 535106145 /nfs/dbraw/zinc/10/61/45/535106145.db2.gz OPAIFUUXDQWDHN-ZDUSSCGKSA-N 0 3 278.396 2.224 10 0 CEAEHN COc1ccc(Br)cc1N1CCN[C@H](C)C1 ZINC000083062836 536638752 /nfs/dbraw/zinc/63/87/52/536638752.db2.gz ZIQNECZBNMQMJY-SECBINFHSA-N 0 3 285.185 2.256 10 0 CEAEHN COc1ccccc1N1CCN([C@H]2CCC[C@@H](O)C2)CC1 ZINC000093731518 537071308 /nfs/dbraw/zinc/07/13/08/537071308.db2.gz XLPROLVZOLIHLN-LSDHHAIUSA-N 0 3 290.407 2.121 10 0 CEAEHN CC(C)c1cncc(SC[C@H]2CNCCO2)c1 ZINC000757207540 574512342 /nfs/dbraw/zinc/51/23/42/574512342.db2.gz BWSGHOXJLXMGTN-GFCCVEGCSA-N 0 3 252.383 2.286 10 0 CEAEHN Nc1ccc(-c2ccc(C=O)s2)c2c1CNCC2 ZINC000757210420 574512642 /nfs/dbraw/zinc/51/26/42/574512642.db2.gz FUABHXMXFWYZQE-UHFFFAOYSA-N 0 3 258.346 2.456 10 0 CEAEHN CCC1(C)CCN(S(=O)(=O)C[C@@H](N)C(C)(C)C)CC1 ZINC000757151988 574510858 /nfs/dbraw/zinc/51/08/58/574510858.db2.gz QLLXHVVBHWQDCX-GFCCVEGCSA-N 0 3 290.473 2.202 10 0 CEAEHN CC(C)(C)OC(=O)N(CC(C)(C)O)c1ccc(CN)nc1 ZINC000757133177 574826553 /nfs/dbraw/zinc/82/65/53/574826553.db2.gz HGXCRVIVGSGSFV-UHFFFAOYSA-N 0 3 295.383 2.053 10 0 CEAEHN CC(C)[C@@H](NCc1cccc(C(F)(F)F)c1)C(N)=O ZINC000107322923 567850388 /nfs/dbraw/zinc/85/03/88/567850388.db2.gz ARJRZFANZLHILD-LLVKDONJSA-N 0 3 274.286 2.305 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@H](C)C(=O)OC(C)(C)C ZINC000090814933 623640833 /nfs/dbraw/zinc/64/08/33/623640833.db2.gz VXYGLJDYXUNVNT-CHWSQXEVSA-N 0 3 272.433 2.283 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1ccc(F)c(F)c1 ZINC000312028136 628062735 /nfs/dbraw/zinc/06/27/35/628062735.db2.gz XCODPNLELZARDM-SDBXPKJASA-N 0 3 268.307 2.269 10 0 CEAEHN Cc1ccoc1CN[C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888099184 628868048 /nfs/dbraw/zinc/86/80/48/628868048.db2.gz UGBQXWHOVIHJRX-UONOGXRCSA-N 0 3 275.352 2.411 10 0 CEAEHN CCN1CCC[C@H]([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000232422431 628948070 /nfs/dbraw/zinc/94/80/70/628948070.db2.gz NJQYRYUJPDKMNP-LBPRGKRZSA-N 0 3 252.333 2.105 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc(C(C)(C)O)cc1)N(C)C ZINC000184701033 641895301 /nfs/dbraw/zinc/89/53/01/641895301.db2.gz CJMRPUIRMHRGND-HNNXBMFYSA-N 0 3 292.423 2.261 10 0 CEAEHN Cc1nc(CN[C@H]2CCCC[C@H]2CO)sc1C ZINC000125016927 649778159 /nfs/dbraw/zinc/77/81/59/649778159.db2.gz FBPPLSRFGAXFRN-RYUDHWBXSA-N 0 3 254.399 2.401 10 0 CEAEHN CO[C@@H]1COC[C@H]1N1CCSC2(CCCCC2)C1 ZINC000336199742 365525908 /nfs/dbraw/zinc/52/59/08/365525908.db2.gz QSJCMSZUNQATMS-CHWSQXEVSA-N 0 3 271.426 2.152 10 0 CEAEHN FC1(F)CCC[C@@H]1CN1CCO[C@]2(CCCOC2)C1 ZINC000336265859 365540685 /nfs/dbraw/zinc/54/06/85/365540685.db2.gz ZLKAVAOTLWUUKL-CHWSQXEVSA-N 0 3 275.339 2.303 10 0 CEAEHN Cc1ccc(NC(=O)C2(N)CCOCC2)cc1Cl ZINC000127698148 187326926 /nfs/dbraw/zinc/32/69/26/187326926.db2.gz WSBCCBXBTMRBEJ-UHFFFAOYSA-N 0 3 268.744 2.095 10 0 CEAEHN c1c2nc([C@H]3CCCCN3)[nH]c2cc2c1OCCO2 ZINC000034939137 361799315 /nfs/dbraw/zinc/79/93/15/361799315.db2.gz PNLHOTANJFUFIJ-SECBINFHSA-N 0 3 259.309 2.149 10 0 CEAEHN Cc1ccc(CN2CCC[C@@H]2C(=O)N(C)C)c(C)c1 ZINC000122683341 365630490 /nfs/dbraw/zinc/63/04/90/365630490.db2.gz WBJJBXCFDCPPRD-OAHLLOKOSA-N 0 3 260.381 2.356 10 0 CEAEHN c1cn([C@@H]2CO[C@@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000096072838 185088278 /nfs/dbraw/zinc/08/82/78/185088278.db2.gz PXNWSKSJPBZLHN-IRXDYDNUSA-N 0 3 283.375 2.489 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000036873114 361865848 /nfs/dbraw/zinc/86/58/48/361865848.db2.gz QJHUINHBDZSVEP-HNNXBMFYSA-N 0 3 289.423 2.079 10 0 CEAEHN O=C1C(CNCc2ccccc2)=CC2=CC=C[C@H]3CCN1[C@H]23 ZINC000039287454 361987395 /nfs/dbraw/zinc/98/73/95/361987395.db2.gz XBTUVTRHDJGMFX-YJBOKZPZSA-N 0 3 292.382 2.430 10 0 CEAEHN Cc1cc(C(=O)N(C)C[C@H]2CCN(C)C2)cc(Cl)n1 ZINC000125801459 187200786 /nfs/dbraw/zinc/20/07/86/187200786.db2.gz RVNANVWZUNEMIH-NSHDSACASA-N 0 3 281.787 2.067 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1Cc1cc(OC)ns1 ZINC000399013697 539263363 /nfs/dbraw/zinc/26/33/63/539263363.db2.gz BFCFSXZUSITCOW-VXGBXAGGSA-N 0 3 281.425 2.210 10 0 CEAEHN CSc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282299496 539277055 /nfs/dbraw/zinc/27/70/55/539277055.db2.gz JQJDRCPCWQZCOZ-ZWNOBZJWSA-N 0 3 264.394 2.165 10 0 CEAEHN CCN1CCO[C@H](CNCc2cc(C)sc2C)C1 ZINC000134617780 539282663 /nfs/dbraw/zinc/28/26/63/539282663.db2.gz OTZJVHSJDJZACB-CQSZACIVSA-N 0 3 268.426 2.175 10 0 CEAEHN CC1(C)CN(C(=O)C2CC2)CCN1C1CCCC1 ZINC000336616727 365725261 /nfs/dbraw/zinc/72/52/61/365725261.db2.gz USDKHQVZHQFAPB-UHFFFAOYSA-N 0 3 250.386 2.262 10 0 CEAEHN CN1C[C@@H](CO)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000034064276 343419059 /nfs/dbraw/zinc/41/90/59/343419059.db2.gz UFKTZIXVYHGAES-VZJVUDMVSA-N 0 3 256.349 2.120 10 0 CEAEHN C[C@@H](NC(=O)CNC1CC1)c1ccccc1Br ZINC000037390221 343427250 /nfs/dbraw/zinc/42/72/50/343427250.db2.gz OVXLOEOONAHSNG-SECBINFHSA-N 0 3 297.196 2.378 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2ccoc2C)C1 ZINC000056752811 343619669 /nfs/dbraw/zinc/61/96/69/343619669.db2.gz QIAZZEIJCLERLF-CQSZACIVSA-N 0 3 279.384 2.214 10 0 CEAEHN CC(C)(C)c1cc(NC(=O)[C@@]2(C)CCCCN2)n[nH]1 ZINC000228343878 539337562 /nfs/dbraw/zinc/33/75/62/539337562.db2.gz VINUQDMHWZJJGW-CQSZACIVSA-N 0 3 264.373 2.178 10 0 CEAEHN CCOC1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000060523138 343659710 /nfs/dbraw/zinc/65/97/10/343659710.db2.gz XEHVPGYXMDHRQS-INIZCTEOSA-N 0 3 293.407 2.065 10 0 CEAEHN NCc1ccc(S(=O)(=O)C2CCCCC2)cc1 ZINC000113230186 344276453 /nfs/dbraw/zinc/27/64/53/344276453.db2.gz KHGWJAJEDVWNAS-UHFFFAOYSA-N 0 3 253.367 2.252 10 0 CEAEHN CSc1ccc(NC(=O)C(C)(C)N2CCNCC2)cc1 ZINC000129576290 344345037 /nfs/dbraw/zinc/34/50/37/344345037.db2.gz IMFJOJKPUWUJAR-UHFFFAOYSA-N 0 3 293.436 2.031 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)C1(N)CCOCC1 ZINC000132150786 344361858 /nfs/dbraw/zinc/36/18/58/344361858.db2.gz RACFOHOGZPAFFV-UHFFFAOYSA-N 0 3 292.379 2.230 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccnc3ccccc23)C1 ZINC000134482070 344374653 /nfs/dbraw/zinc/37/46/53/344374653.db2.gz IBCKNUBVQWEFDJ-OAHLLOKOSA-N 0 3 285.391 2.045 10 0 CEAEHN C[C@H]1CC(N)=NN1c1ccc(Br)cc1 ZINC000137410897 344387921 /nfs/dbraw/zinc/38/79/21/344387921.db2.gz OTLGYYKVDXWZGQ-ZETCQYMHSA-N 0 3 254.131 2.320 10 0 CEAEHN CCOC(=O)C1CCCN(c2ccc(F)cc2)C1=O ZINC000167391554 344478498 /nfs/dbraw/zinc/47/84/98/344478498.db2.gz CFXLSLRBWRNSJM-LBPRGKRZSA-N 0 3 265.284 2.132 10 0 CEAEHN CC(C)Oc1ccccc1CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170864008 344491805 /nfs/dbraw/zinc/49/18/05/344491805.db2.gz MWPGNHHAFNCQSN-OAHLLOKOSA-N 0 3 290.407 2.179 10 0 CEAEHN Clc1ccc(Br)c(OC2CNC2)c1 ZINC000218478628 344536332 /nfs/dbraw/zinc/53/63/32/344536332.db2.gz YREABAIRRQQBHF-UHFFFAOYSA-N 0 3 262.534 2.453 10 0 CEAEHN Cc1sc([C@@H](CN)N(C)C)cc1Br ZINC000227859605 344557027 /nfs/dbraw/zinc/55/70/27/344557027.db2.gz OLPRNVNDSVXLKT-MRVPVSSYSA-N 0 3 263.204 2.380 10 0 CEAEHN CCCCOC[C@@H](O)CNCc1ccc(F)cc1F ZINC000227891807 344557571 /nfs/dbraw/zinc/55/75/71/344557571.db2.gz YMNDCCOZYDSWRC-ZDUSSCGKSA-N 0 3 273.323 2.232 10 0 CEAEHN CCCOc1ccc([C@H](C)N[C@@H]2CCCNC2=O)cc1 ZINC000050394226 362418485 /nfs/dbraw/zinc/41/84/85/362418485.db2.gz GIWWRSJHGUWQTA-SWLSCSKDSA-N 0 3 276.380 2.405 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC000053150506 362484583 /nfs/dbraw/zinc/48/45/83/362484583.db2.gz BHXQSGOFCHZSCU-AWEZNQCLSA-N 0 3 296.361 2.498 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000252951499 344642276 /nfs/dbraw/zinc/64/22/76/344642276.db2.gz DYFXEHBOCRNWGV-DGCLKSJQSA-N 0 3 284.350 2.336 10 0 CEAEHN C[C@@H]1[C@H](Nc2nccnc2N)CCN1Cc1ccccc1 ZINC000306729225 344716793 /nfs/dbraw/zinc/71/67/93/344716793.db2.gz OHDMMADNXJBAQU-TZMCWYRMSA-N 0 3 283.379 2.134 10 0 CEAEHN CN(C)c1cc(CN(C)C[C@H]2CCc3nccn3C2)ccn1 ZINC000328635907 344757109 /nfs/dbraw/zinc/75/71/09/344757109.db2.gz NULYCWXOXYSTIO-OAHLLOKOSA-N 0 3 299.422 2.039 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)Nc1cc(C#N)ncn1 ZINC000393747909 344840968 /nfs/dbraw/zinc/84/09/68/344840968.db2.gz LQSMAYYVOZDSQQ-ZDUSSCGKSA-N 0 3 281.363 2.281 10 0 CEAEHN COC(C)(C)CCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000336784332 365802625 /nfs/dbraw/zinc/80/26/25/365802625.db2.gz OZLZUHTTZAXXQF-KGLIPLIRSA-N 0 3 254.418 2.360 10 0 CEAEHN CCc1ccc([C@@H](C[S@@](=O)C2CCOCC2)NC)cc1 ZINC000084055267 178779498 /nfs/dbraw/zinc/77/94/98/178779498.db2.gz BORPEZCVUMLJHI-UZLBHIALSA-N 0 3 295.448 2.437 10 0 CEAEHN C[C@H](Cc1c[nH]c2ccccc12)NC[C@@](C)(F)CO ZINC000584621184 344967399 /nfs/dbraw/zinc/96/73/99/344967399.db2.gz LLBNXYIFLJLUEA-IAQYHMDHSA-N 0 3 264.344 2.409 10 0 CEAEHN CCO[C@@H]1CNC[C@@H](Oc2ccccc2)[C@H]1c1cnco1 ZINC000584651229 344973541 /nfs/dbraw/zinc/97/35/41/344973541.db2.gz DVZXOVOEAOZSPQ-FVQBIDKESA-N 0 3 288.347 2.214 10 0 CEAEHN CN[C@H](C)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000054075018 362510441 /nfs/dbraw/zinc/51/04/41/362510441.db2.gz ICMYZESXOKSDOX-SECBINFHSA-N 0 3 268.307 2.064 10 0 CEAEHN CCN[C@@H](Cc1ccccn1)c1cc(CC)nn1C ZINC000097272939 185575884 /nfs/dbraw/zinc/57/58/84/185575884.db2.gz XORZVKRFEXKYKI-AWEZNQCLSA-N 0 3 258.369 2.271 10 0 CEAEHN Cn1nncc1[C@H](N)C1CCC(C(F)(F)F)CC1 ZINC000097424171 185600849 /nfs/dbraw/zinc/60/08/49/185600849.db2.gz UNUMWKHTEVRPMN-SFVIPPHHSA-N 0 3 262.279 2.184 10 0 CEAEHN CCNC(=O)[C@@H](C)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133201 178954628 /nfs/dbraw/zinc/95/46/28/178954628.db2.gz MDLWZSZUOLBGAH-UTLUCORTSA-N 0 3 266.307 2.222 10 0 CEAEHN Cc1nc(C[C@@H](NN)C2(N(C)C)CCC(C)CC2)cs1 ZINC000097590056 185633952 /nfs/dbraw/zinc/63/39/52/185633952.db2.gz BVBFUKHBGRPPGF-XGTXGMFGSA-N 0 3 296.484 2.336 10 0 CEAEHN COc1ccc(SC[C@](C)(CO)NC2CC2)cc1 ZINC000085291932 179007182 /nfs/dbraw/zinc/00/71/82/179007182.db2.gz HVUPNAJCXYAPFK-AWEZNQCLSA-N 0 3 267.394 2.290 10 0 CEAEHN C[C@H](NC[C@H]1CCC(=O)N1)c1cnc2ccsc2c1 ZINC000085434164 179061406 /nfs/dbraw/zinc/06/14/06/179061406.db2.gz KTGAUKRDHDGKHR-GXSJLCMTSA-N 0 3 275.377 2.226 10 0 CEAEHN CC(C)[C@H](CN(C)C)Nc1ncncc1Br ZINC000085465485 179071108 /nfs/dbraw/zinc/07/11/08/179071108.db2.gz CVFBSZUOZLCOBH-JTQLQIEISA-N 0 3 287.205 2.237 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000062969314 362737260 /nfs/dbraw/zinc/73/72/60/362737260.db2.gz QDEXQXCQGLMHJV-QMMMGPOBSA-N 0 3 288.178 2.165 10 0 CEAEHN C[C@H]1CN[C@@](C)(c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085531824 179091582 /nfs/dbraw/zinc/09/15/82/179091582.db2.gz WIHAMYFYBLZFDE-WMLDXEAASA-N 0 3 284.407 2.129 10 0 CEAEHN CCN1CCC[C@H](n2c3c(nc2C2CC2)CNCC3)C1 ZINC000085572793 179098187 /nfs/dbraw/zinc/09/81/87/179098187.db2.gz GZCBLEIYUUTNSS-ZDUSSCGKSA-N 0 3 274.412 2.063 10 0 CEAEHN CN(C)C(C)(C)[C@@H](N)c1occc1Br ZINC000085736542 179134668 /nfs/dbraw/zinc/13/46/68/179134668.db2.gz SVCYFQKNPIWTPW-VIFPVBQESA-N 0 3 261.163 2.382 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000236919799 370654984 /nfs/dbraw/zinc/65/49/84/370654984.db2.gz AYACSDOYWQOOGX-KOLCDFICSA-N 0 3 268.332 2.139 10 0 CEAEHN COc1nc2sccn2c1CNC[C@@H]1CCCC[C@H]1O ZINC000085973272 179207062 /nfs/dbraw/zinc/20/70/62/179207062.db2.gz CJQGHEJOOHPFDM-CMPLNLGQSA-N 0 3 295.408 2.045 10 0 CEAEHN Cc1ccc(NC(=O)[C@H](C)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085986097 179211465 /nfs/dbraw/zinc/21/14/65/179211465.db2.gz VCSAHRAJRYKNAV-DZKIICNBSA-N 0 3 290.407 2.463 10 0 CEAEHN C[C@@H]1CC[C@@H](NCc2nnnn2-c2ccccc2)[C@@H]1C ZINC000086076818 179225845 /nfs/dbraw/zinc/22/58/45/179225845.db2.gz NNKBBAHLYXNTSX-YRGRVCCFSA-N 0 3 271.368 2.187 10 0 CEAEHN CCn1cc(N2CCN[C@H](c3ccccc3)C2)cn1 ZINC000086127956 179235689 /nfs/dbraw/zinc/23/56/89/179235689.db2.gz FMEBXVVEEFGWKK-HNNXBMFYSA-N 0 3 256.353 2.054 10 0 CEAEHN CC(=O)N[C@H]1CCCN([C@@H]2C=CCCCCC2)C1 ZINC000606432940 347471505 /nfs/dbraw/zinc/47/15/05/347471505.db2.gz ZDCJPRGLZKASEI-LSDHHAIUSA-N 0 3 250.386 2.476 10 0 CEAEHN CC[C@@H]1CN[C@@H](c2ccccc2)CN1Cc1nccn1C ZINC000086264843 179261429 /nfs/dbraw/zinc/26/14/29/179261429.db2.gz DKCDAJMDKZQBFE-HZPDHXFCSA-N 0 3 284.407 2.345 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)c1nc(Br)cs1 ZINC000086291184 179265815 /nfs/dbraw/zinc/26/58/15/179265815.db2.gz RNXCRHBWXBJPAI-MRVPVSSYSA-N 0 3 290.230 2.294 10 0 CEAEHN CCN[C@H]1CCCc2sc(N3CCOC[C@@H]3C)nc21 ZINC000086442743 179293511 /nfs/dbraw/zinc/29/35/11/179293511.db2.gz NTYGFRGVNMLBMK-QWRGUYRKSA-N 0 3 281.425 2.355 10 0 CEAEHN CN[C@H]1CCCc2sc(N(C)C3CCOCC3)nc21 ZINC000086442932 179293591 /nfs/dbraw/zinc/29/35/91/179293591.db2.gz RBBRXRXEFGYNIC-NSHDSACASA-N 0 3 281.425 2.355 10 0 CEAEHN CN(C[C@H]1CCCCO1)c1nc2c(s1)CCC[C@@H]2N ZINC000086443256 179293683 /nfs/dbraw/zinc/29/36/83/179293683.db2.gz LBRUPAGARYXQFC-MNOVXSKESA-N 0 3 281.425 2.485 10 0 CEAEHN CCOCCN(CC)c1nc2c(s1)CCC[C@@H]2N ZINC000086444186 179293944 /nfs/dbraw/zinc/29/39/44/179293944.db2.gz XICJCKLMGXQREN-JTQLQIEISA-N 0 3 269.414 2.342 10 0 CEAEHN CC[C@@H]1CN(C(=O)COc2ccccc2)[C@@H](CC)CN1 ZINC000086446561 179294465 /nfs/dbraw/zinc/29/44/65/179294465.db2.gz YEAMTKHWNIXAFL-KGLIPLIRSA-N 0 3 276.380 2.054 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cc(Cl)cn2C)[C@@H](CC)CN1 ZINC000086446289 179295124 /nfs/dbraw/zinc/29/51/24/179295124.db2.gz SADMROMSQOIANU-RYUDHWBXSA-N 0 3 283.803 2.281 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)[C@H](CC)CN1 ZINC000086447144 179295546 /nfs/dbraw/zinc/29/55/46/179295546.db2.gz ZZXJLQUDBAWWAL-HZPDHXFCSA-N 0 3 288.391 2.319 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc3c(c2)COC3)[C@@H](CC)CN1 ZINC000086447149 179295625 /nfs/dbraw/zinc/29/56/25/179295625.db2.gz ZZXJLQUDBAWWAL-HOTGVXAUSA-N 0 3 288.391 2.319 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@@H](CC)CN1 ZINC000086446912 179295807 /nfs/dbraw/zinc/29/58/07/179295807.db2.gz VYIOHYZWQJZVPW-CABCVRRESA-N 0 3 260.381 2.218 10 0 CEAEHN Nc1ccc(Cl)cc1SC[C@H]1CNCCO1 ZINC000086479817 179300705 /nfs/dbraw/zinc/30/07/05/179300705.db2.gz HBGKUTLKQOFGAR-SECBINFHSA-N 0 3 258.774 2.003 10 0 CEAEHN COc1ccc([C@@H](NCC(C)C)C(N)=O)cc1Cl ZINC000086595393 179310635 /nfs/dbraw/zinc/31/06/35/179310635.db2.gz NSYKOBRFLABUIA-GFCCVEGCSA-N 0 3 270.760 2.121 10 0 CEAEHN CN1CC[C@@](O)(Cc2cc(F)cc(Br)c2)C1 ZINC000086695458 179321116 /nfs/dbraw/zinc/32/11/16/179321116.db2.gz LPKJQGHVXBWIBL-GFCCVEGCSA-N 0 3 288.160 2.197 10 0 CEAEHN Cc1ccc(CN[C@H]2CCC[C@H]2S(C)(=O)=O)s1 ZINC000086675783 179318715 /nfs/dbraw/zinc/31/87/15/179318715.db2.gz QHPYBLPFTQUGJD-NWDGAFQWSA-N 0 3 273.423 2.112 10 0 CEAEHN CCCN1CCC[C@@](NCCOC)(c2nccs2)CC1 ZINC000086851713 179359139 /nfs/dbraw/zinc/35/91/39/179359139.db2.gz IDCLFRAUGJZHOG-HNNXBMFYSA-N 0 3 297.468 2.470 10 0 CEAEHN CCN(CC)CCN[C@@]1(C(=O)OC)CCC[C@H](C)CC1 ZINC000086891864 179366355 /nfs/dbraw/zinc/36/63/55/179366355.db2.gz CBRFWSRLIYWJQT-HOCLYGCPSA-N 0 3 284.444 2.430 10 0 CEAEHN COCCN[C@]1(C(N)=O)CCC[C@@H](C(C)(C)C)CC1 ZINC000086959933 179369017 /nfs/dbraw/zinc/36/90/17/179369017.db2.gz QMFZXGSSHKTQIX-IUODEOHRSA-N 0 3 270.417 2.073 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@](C)(O)CC)c1C ZINC000087013789 179379643 /nfs/dbraw/zinc/37/96/43/179379643.db2.gz USYBOYAYRWKNOM-QMTHXVAHSA-N 0 3 253.390 2.331 10 0 CEAEHN CC[C@](C)(O)CNCc1c(C)nc2scc(C)n12 ZINC000087012824 179379740 /nfs/dbraw/zinc/37/97/40/179379740.db2.gz PUXRPDLVIKVRDI-ZDUSSCGKSA-N 0 3 267.398 2.263 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@@](C)(O)CC)c1C ZINC000087013783 179379953 /nfs/dbraw/zinc/37/99/53/179379953.db2.gz USYBOYAYRWKNOM-HZMBPMFUSA-N 0 3 253.390 2.331 10 0 CEAEHN c1nc([C@@H]2CSCCO2)sc1CNC1CC1 ZINC000086989829 179374642 /nfs/dbraw/zinc/37/46/42/179374642.db2.gz BJFLZILKOMJUNP-JTQLQIEISA-N 0 3 256.396 2.200 10 0 CEAEHN C[C@@H]1CCC[C@](O)(CNCC(=O)Nc2ccccc2F)C1 ZINC000087064774 179390472 /nfs/dbraw/zinc/39/04/72/179390472.db2.gz QOOSHCNMEWLPGD-MLGOLLRUSA-N 0 3 294.370 2.295 10 0 CEAEHN COc1cc(OC)c([C@@H]2CNCC(C)(C)O2)c(OC)c1 ZINC000087090423 179394119 /nfs/dbraw/zinc/39/41/19/179394119.db2.gz AWEIOTOLQAOTMI-ZDUSSCGKSA-N 0 3 281.352 2.152 10 0 CEAEHN COCCNCc1c[nH]c(CSCC(C)C)n1 ZINC000087125588 179396490 /nfs/dbraw/zinc/39/64/90/179396490.db2.gz MNHLVMPKALKESE-UHFFFAOYSA-N 0 3 257.403 2.035 10 0 CEAEHN COCCNCc1cnc(CSCC(C)C)[nH]1 ZINC000087125588 179396492 /nfs/dbraw/zinc/39/64/92/179396492.db2.gz MNHLVMPKALKESE-UHFFFAOYSA-N 0 3 257.403 2.035 10 0 CEAEHN CCN[C@@](C)(CC(=O)OC)c1ccc2c(c1)OCCCO2 ZINC000087553865 179446295 /nfs/dbraw/zinc/44/62/95/179446295.db2.gz ZFQUAZWQZCJZDS-INIZCTEOSA-N 0 3 293.363 2.236 10 0 CEAEHN COc1ccc([C@H](CN)NCC2CC2)c(Cl)c1OC ZINC000087912306 179520700 /nfs/dbraw/zinc/52/07/00/179520700.db2.gz LNZPAFRGAGGZDH-NSHDSACASA-N 0 3 284.787 2.357 10 0 CEAEHN c1c[nH]c([C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000616651047 348547749 /nfs/dbraw/zinc/54/77/49/348547749.db2.gz IUDMIHBQDGYWBY-CQSZACIVSA-N 0 3 257.337 2.373 10 0 CEAEHN CCN1CCCO[C@@H](c2cccc3ccnnc32)C1 ZINC000616653668 348549250 /nfs/dbraw/zinc/54/92/50/348549250.db2.gz SVCBGDVOKYKYEI-CQSZACIVSA-N 0 3 257.337 2.413 10 0 CEAEHN C[C@H](C(=O)c1ccc(Cl)s1)N(C)CCN(C)C ZINC000104187068 185919682 /nfs/dbraw/zinc/91/96/82/185919682.db2.gz VTVYYWXQDSFTGI-SECBINFHSA-N 0 3 274.817 2.466 10 0 CEAEHN CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CNCCN2)cc1 ZINC000616655723 348549841 /nfs/dbraw/zinc/54/98/41/348549841.db2.gz ZHFVPBHXTCIQSN-AWEZNQCLSA-N 0 3 291.395 2.292 10 0 CEAEHN NNc1ncc(F)c(Nc2ccc(Cl)c(F)c2)n1 ZINC000087865212 179504934 /nfs/dbraw/zinc/50/49/34/179504934.db2.gz MBUNLQZVUHCWEJ-UHFFFAOYSA-N 0 3 271.658 2.437 10 0 CEAEHN CC(=O)Nc1cccc([C@H]2CN(C(C)(C)C)CCN2)c1 ZINC000616601854 348531002 /nfs/dbraw/zinc/53/10/02/348531002.db2.gz VGNCQPUTLKCQOQ-OAHLLOKOSA-N 0 3 275.396 2.390 10 0 CEAEHN CC(=O)Nc1ccccc1[C@@H]1CNCCN1C(C)(C)C ZINC000616602734 348532170 /nfs/dbraw/zinc/53/21/70/348532170.db2.gz BBUQKEYRCFKJPN-HNNXBMFYSA-N 0 3 275.396 2.390 10 0 CEAEHN CNCc1ccnc([C@@H]2CCOc3ccccc32)n1 ZINC000088039519 179537542 /nfs/dbraw/zinc/53/75/42/179537542.db2.gz FZJQRIRNJAUIEH-CYBMUJFWSA-N 0 3 255.321 2.110 10 0 CEAEHN OCCN1CCc2ccccc2[C@@H]1c1ccccc1CO ZINC000616678402 348558345 /nfs/dbraw/zinc/55/83/45/348558345.db2.gz HLUHQBDBTBMZRP-GOSISDBHSA-N 0 3 283.371 2.119 10 0 CEAEHN CCC1(CC)CCN([C@H](CN)c2cncn2C)CC1 ZINC000090167931 179924027 /nfs/dbraw/zinc/92/40/27/179924027.db2.gz IGEVBIILQRUUBI-CYBMUJFWSA-N 0 3 264.417 2.322 10 0 CEAEHN Cc1cc(C)c([C@@H](C)NC[C@](C)(O)CO)c(C)c1 ZINC000090285227 179949332 /nfs/dbraw/zinc/94/93/32/179949332.db2.gz OSALBKUYFYYRBC-HIFRSBDPSA-N 0 3 251.370 2.006 10 0 CEAEHN CC(C)c1ccc(-c2noc([C@]3(C)COC[C@@H]3N)n2)cc1 ZINC000090573417 180008050 /nfs/dbraw/zinc/00/80/50/180008050.db2.gz UOKQXLAEXJRAPV-XJKSGUPXSA-N 0 3 287.363 2.475 10 0 CEAEHN CC(C)NC(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000090700975 180028092 /nfs/dbraw/zinc/02/80/92/180028092.db2.gz IEYIXLRWSZGTQZ-CYBMUJFWSA-N 0 3 285.457 2.008 10 0 CEAEHN C[C@H](NC(=O)N1CC(N)C1)c1ccc(C(F)(F)F)cc1 ZINC000090765429 180037619 /nfs/dbraw/zinc/03/76/19/180037619.db2.gz UUNXGWIUNZCZOM-QMMMGPOBSA-N 0 3 287.285 2.119 10 0 CEAEHN CCOc1cc(NC[C@H]2CCCCN2C)nc(C)n1 ZINC000090792265 180042753 /nfs/dbraw/zinc/04/27/53/180042753.db2.gz GIBFSKCVWKSIPA-GFCCVEGCSA-N 0 3 264.373 2.080 10 0 CEAEHN COc1ncnc(N[C@H](C)CN2CCCCC2)c1C ZINC000090791063 180043085 /nfs/dbraw/zinc/04/30/85/180043085.db2.gz WDRRIGBACPXTLY-LLVKDONJSA-N 0 3 264.373 2.080 10 0 CEAEHN CCC(CC)[C@@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000104445557 186005512 /nfs/dbraw/zinc/00/55/12/186005512.db2.gz YHIXDRQYSNEWMY-IUODEOHRSA-N 0 3 262.397 2.497 10 0 CEAEHN COc1cc([C@H](C)NC[C@@H](C)[S@](C)=O)ccc1F ZINC000090841812 180043771 /nfs/dbraw/zinc/04/37/71/180043771.db2.gz LQZLXEJWWZLQAN-AUSHCKSDSA-N 0 3 273.373 2.252 10 0 CEAEHN N[C@H]1COc2cc(OC[C@H]3Cc4ccccc4O3)ccc21 ZINC000090873953 180050245 /nfs/dbraw/zinc/05/02/45/180050245.db2.gz AUWYCIOMVBWIIN-HIFRSBDPSA-N 0 3 283.327 2.461 10 0 CEAEHN CCOC(=O)CCN(C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894735 180056449 /nfs/dbraw/zinc/05/64/49/180056449.db2.gz YABKIVGLLJUTAW-ZDUSSCGKSA-N 0 3 281.327 2.014 10 0 CEAEHN CNCc1c(C)nn(C[C@H]2Cc3cc(F)ccc3O2)c1C ZINC000090894372 180056484 /nfs/dbraw/zinc/05/64/84/180056484.db2.gz LNHSJHICUJCGBS-CQSZACIVSA-N 0 3 289.354 2.362 10 0 CEAEHN CCNCc1cnn(C[C@@H]2Cc3cc(C)ccc3O2)c1 ZINC000090901923 180060179 /nfs/dbraw/zinc/06/01/79/180060179.db2.gz MECXUBLOFYWWJL-HNNXBMFYSA-N 0 3 271.364 2.305 10 0 CEAEHN NC[C@@H](c1c(F)cccc1Cl)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905687 180060480 /nfs/dbraw/zinc/06/04/80/180060480.db2.gz ZSWIGDNHPWMMIY-CWSCBRNRSA-N 0 3 284.762 2.342 10 0 CEAEHN NC[C@H](c1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905568 180060490 /nfs/dbraw/zinc/06/04/90/180060490.db2.gz VNYZAUSJJBDHCS-HZSPNIEDSA-N 0 3 266.772 2.203 10 0 CEAEHN COc1ccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000090905890 180061163 /nfs/dbraw/zinc/06/11/63/180061163.db2.gz QTWVDJQRGQLTBQ-SCRDCRAPSA-N 0 3 296.798 2.212 10 0 CEAEHN CN[C@H]1CCCc2sc(N3C[C@H]4CC[C@@H](C3)O4)nc21 ZINC000090908132 180061803 /nfs/dbraw/zinc/06/18/03/180061803.db2.gz MEJKEELJTFEJHJ-AXFHLTTASA-N 0 3 279.409 2.108 10 0 CEAEHN COCCN(Cc1csc([C@@H](C)N)n1)CC(C)C ZINC000090958281 180075161 /nfs/dbraw/zinc/07/51/61/180075161.db2.gz WOKLPZKFLCQNRE-LLVKDONJSA-N 0 3 271.430 2.267 10 0 CEAEHN CC(=O)Nc1ccsc1CNC[C@H]1CCCCN1C ZINC000090960506 180075424 /nfs/dbraw/zinc/07/54/24/180075424.db2.gz ANBRHMQEIFXHIR-GFCCVEGCSA-N 0 3 281.425 2.280 10 0 CEAEHN CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)[C@H](CC)CN1 ZINC000090985575 180080903 /nfs/dbraw/zinc/08/09/03/180080903.db2.gz HLIMOZXRWZPLAH-IIAWOOMASA-N 0 3 272.392 2.315 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)NC[C@@H]1Cc2ccccc21 ZINC000090992597 180082291 /nfs/dbraw/zinc/08/22/91/180082291.db2.gz KZCUTKFSXXMKMR-OCCSQVGLSA-N 0 3 260.381 2.173 10 0 CEAEHN CCc1nn(C)c(Cn2cccc2CN)c1Br ZINC000090995100 180082967 /nfs/dbraw/zinc/08/29/67/180082967.db2.gz JYARWLCTPGEWHO-UHFFFAOYSA-N 0 3 297.200 2.054 10 0 CEAEHN CCOC(=O)[C@H](CC)n1ccnc1CNCC(C)C ZINC000091002828 180083860 /nfs/dbraw/zinc/08/38/60/180083860.db2.gz OTMFOGLNTANADG-LBPRGKRZSA-N 0 3 267.373 2.143 10 0 CEAEHN CCn1cccc1CNCc1ccc(C(=O)NC)cc1 ZINC000091022663 180088784 /nfs/dbraw/zinc/08/87/84/180088784.db2.gz CTRATGBDNDUYLR-UHFFFAOYSA-N 0 3 271.364 2.157 10 0 CEAEHN CCn1cccc1CN[C@H](CO)Cc1ccccc1 ZINC000091127763 180099423 /nfs/dbraw/zinc/09/94/23/180099423.db2.gz BISVCDWIXQKCSC-HNNXBMFYSA-N 0 3 258.365 2.201 10 0 CEAEHN CCCn1c(C[C@H]2CSCCN2)nc2cnccc21 ZINC000091128703 180100376 /nfs/dbraw/zinc/10/03/76/180100376.db2.gz QMHWEINPJICPPK-NSHDSACASA-N 0 3 276.409 2.089 10 0 CEAEHN CC(C)n1c(C[C@H]2CSCCN2)nc2cccnc21 ZINC000091128713 180100622 /nfs/dbraw/zinc/10/06/22/180100622.db2.gz DYYBHNSGNUSZEJ-NSHDSACASA-N 0 3 276.409 2.260 10 0 CEAEHN C[C@@H]1CCC[C@H](OC(=O)C[C@@H]2CSCCN2)C1 ZINC000091130012 180101141 /nfs/dbraw/zinc/10/11/41/180101141.db2.gz KKAXILVXPBQIBH-UTUOFQBUSA-N 0 3 257.399 2.203 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000091138361 180105339 /nfs/dbraw/zinc/10/53/39/180105339.db2.gz ZWLJUPPGVPIQNK-QWHCGFSZSA-N 0 3 278.421 2.267 10 0 CEAEHN CN(CC[C@H]1CNCCO1)Cc1ccccc1Cl ZINC000091313758 180132972 /nfs/dbraw/zinc/13/29/72/180132972.db2.gz UHQJKSGJTNXXLI-ZDUSSCGKSA-N 0 3 268.788 2.150 10 0 CEAEHN COCCNCc1cnn(CC(C)C)c1C(F)F ZINC000091336492 180136533 /nfs/dbraw/zinc/13/65/33/180136533.db2.gz QRMFCZOZCKKCKP-UHFFFAOYSA-N 0 3 261.316 2.213 10 0 CEAEHN COCCNCc1cnn(CC(C)C)c1C(F)(F)F ZINC000091336488 180136568 /nfs/dbraw/zinc/13/65/68/180136568.db2.gz GMAXKWXBTGDLSZ-UHFFFAOYSA-N 0 3 279.306 2.294 10 0 CEAEHN Cc1ccc2nnc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2n1 ZINC000091355287 180139054 /nfs/dbraw/zinc/13/90/54/180139054.db2.gz QMDRJCADWMAFQQ-AVGNSLFASA-N 0 3 271.368 2.416 10 0 CEAEHN O=C(Nc1ccccc1CO)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091359858 180140245 /nfs/dbraw/zinc/14/02/45/180140245.db2.gz CUPRULQODXHVNI-NOLJZWGESA-N 0 3 288.391 2.428 10 0 CEAEHN CCOc1ccccc1[C@H](N)CSC[C@@H](C)CO ZINC000091261581 180115869 /nfs/dbraw/zinc/11/58/69/180115869.db2.gz OFWBCAGVBPWNLJ-WCQYABFASA-N 0 3 269.410 2.447 10 0 CEAEHN Cc1nn(C)c(SC[C@@H](C)CO)c1CNC(C)(C)C ZINC000091259945 180115969 /nfs/dbraw/zinc/11/59/69/180115969.db2.gz GHWVTWMRJKMXAI-JTQLQIEISA-N 0 3 285.457 2.337 10 0 CEAEHN CN(Cc1ccc(F)cc1)[C@@H](CN)c1cncn1C1CC1 ZINC000091276317 180119567 /nfs/dbraw/zinc/11/95/67/180119567.db2.gz CUKTUKDMABHJGH-HNNXBMFYSA-N 0 3 288.370 2.489 10 0 CEAEHN CCN(CC(C)C)[C@H](CN)c1cncn1C1CC1 ZINC000091276234 180119590 /nfs/dbraw/zinc/11/95/90/180119590.db2.gz RMLALMFFWBFPIC-CYBMUJFWSA-N 0 3 250.390 2.196 10 0 CEAEHN Fc1ccc2nc(C[C@H]3CNCCO3)n(C3CC3)c2c1 ZINC000091293358 180124142 /nfs/dbraw/zinc/12/41/42/180124142.db2.gz BLEPHXNBAMDYKA-LBPRGKRZSA-N 0 3 275.327 2.041 10 0 CEAEHN CCCn1c(C[C@H]2CNCCO2)nc2cc(C)ccc21 ZINC000091293198 180124288 /nfs/dbraw/zinc/12/42/88/180124288.db2.gz FIXZHIAWWMHZMR-ZDUSSCGKSA-N 0 3 273.380 2.286 10 0 CEAEHN C[C@H](O)c1ccc(NC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000091433273 180154349 /nfs/dbraw/zinc/15/43/49/180154349.db2.gz CGOFOXOWLFRYIZ-WFASDCNBSA-N 0 3 291.395 2.298 10 0 CEAEHN CCCCOCCOc1cncc(CNC(C)C)n1 ZINC000091433667 180154738 /nfs/dbraw/zinc/15/47/38/180154738.db2.gz ZUFFPVFEWGAGQZ-UHFFFAOYSA-N 0 3 267.373 2.170 10 0 CEAEHN CN(CC1CC(O)C1)c1ccc(C(F)(F)F)cc1CN ZINC000091462813 180162462 /nfs/dbraw/zinc/16/24/62/180162462.db2.gz HCLOWHBPUZZEPT-UHFFFAOYSA-N 0 3 288.313 2.371 10 0 CEAEHN CNCc1cncc(N(C)Cc2ccc(Cl)cc2)n1 ZINC000091420906 180150640 /nfs/dbraw/zinc/15/06/40/180150640.db2.gz DNJMLSJILGHTIR-UHFFFAOYSA-N 0 3 276.771 2.486 10 0 CEAEHN CCNCc1cncc(N(C)c2ccc(F)cc2)n1 ZINC000091420245 180150680 /nfs/dbraw/zinc/15/06/80/180150680.db2.gz NHSVKDPEVKNIKN-UHFFFAOYSA-N 0 3 260.316 2.493 10 0 CEAEHN CC(C)([C@H](N)c1cncc2ccccc21)N1CCOCC1 ZINC000091566413 180194105 /nfs/dbraw/zinc/19/41/05/180194105.db2.gz ATSPAABRHUZKHZ-MRXNPFEDSA-N 0 3 285.391 2.345 10 0 CEAEHN CN[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCOCC1 ZINC000091566616 180194205 /nfs/dbraw/zinc/19/42/05/180194205.db2.gz WJDGMRXUBARXHT-CQSZACIVSA-N 0 3 284.350 2.336 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cc(Cl)cnc1N)N(C)C ZINC000091569714 180195740 /nfs/dbraw/zinc/19/57/40/180195740.db2.gz DOGQBYSKWGSYFU-JQWIXIFHSA-N 0 3 256.781 2.047 10 0 CEAEHN CCOC(=O)[C@]1(Nc2cc(C)cc(F)c2)CCN(C)C1 ZINC000091516031 180176844 /nfs/dbraw/zinc/17/68/44/180176844.db2.gz WCKCNQCMFNJQPY-HNNXBMFYSA-N 0 3 280.343 2.183 10 0 CEAEHN CCn1ccnc1[C@H](NC)C1(N(C)C)CCCC1 ZINC000091637783 180212040 /nfs/dbraw/zinc/21/20/40/180212040.db2.gz RSTDZMSJICDFGB-LBPRGKRZSA-N 0 3 250.390 2.038 10 0 CEAEHN CCCn1ccnc1[C@H](NC)C1(N(C)C)CCCC1 ZINC000091637809 180212525 /nfs/dbraw/zinc/21/25/25/180212525.db2.gz LNQKKYRENSSQDL-ZDUSSCGKSA-N 0 3 264.417 2.428 10 0 CEAEHN CN(C)C1(C(=O)Cc2ccnc(N)c2)CCCCC1 ZINC000091646428 180215285 /nfs/dbraw/zinc/21/52/85/180215285.db2.gz HPSPUHUNHLYBAO-UHFFFAOYSA-N 0 3 261.369 2.040 10 0 CEAEHN CC(C)n1ncnc1CC(=O)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091650357 180216580 /nfs/dbraw/zinc/21/65/80/180216580.db2.gz KBTRUXLUPRPDQV-CJNGLKHVSA-N 0 3 292.427 2.481 10 0 CEAEHN Cc1cnc(Cl)nc1N[C@H](CN(C)C)C(C)C ZINC000091658488 180218688 /nfs/dbraw/zinc/21/86/88/180218688.db2.gz WGGIAOPJSALZSE-SNVBAGLBSA-N 0 3 256.781 2.437 10 0 CEAEHN CN[C@@H](c1ccc(C(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717732 180231967 /nfs/dbraw/zinc/23/19/67/180231967.db2.gz HXCBFCXERNBILJ-CVEARBPZSA-N 0 3 262.397 2.401 10 0 CEAEHN CCCc1ccc([C@H](NC)[C@H]2CN(C)CCO2)cc1 ZINC000091717704 180232100 /nfs/dbraw/zinc/23/21/00/180232100.db2.gz ADINMKVAKXVBOM-CVEARBPZSA-N 0 3 262.397 2.230 10 0 CEAEHN Cc1cc([C@H](O)[C@@H]2CN3CCC[C@@H]3CO2)ccc1F ZINC000091715446 180232499 /nfs/dbraw/zinc/23/24/99/180232499.db2.gz PJALIEYTFSQXGK-SNPRPXQTSA-N 0 3 265.328 2.031 10 0 CEAEHN CCCOc1ccc([C@H](NC)[C@H]2CN(C)CCO2)cc1 ZINC000091718036 180232958 /nfs/dbraw/zinc/23/29/58/180232958.db2.gz WEBDDILCZPWRAF-CVEARBPZSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@H](c1cccs1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722021 180239575 /nfs/dbraw/zinc/23/95/75/180239575.db2.gz CZQRTVOZXVZPNH-DYEKYZERSA-N 0 3 266.410 2.262 10 0 CEAEHN CCN[C@H](c1cccc(Cl)c1)[C@H]1CN(C)CCO1 ZINC000091718569 180233291 /nfs/dbraw/zinc/23/32/91/180233291.db2.gz AAOHXSYTFPPCBU-ZIAGYGMSSA-N 0 3 268.788 2.321 10 0 CEAEHN CCN[C@H](c1cccc(C)c1C)[C@H]1CN(C)CCO1 ZINC000091718705 180233481 /nfs/dbraw/zinc/23/34/81/180233481.db2.gz XNNBSYPMLDSLJT-HZPDHXFCSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@H](c1ccccc1C)[C@@H]1CN(C)CCO1 ZINC000091718935 180233725 /nfs/dbraw/zinc/23/37/25/180233725.db2.gz NPXKSYLMOPMWAB-JKSUJKDBSA-N 0 3 262.397 2.366 10 0 CEAEHN O[C@@H]1COCC[C@@H]1N[C@@H]1CCc2cc(Cl)ccc21 ZINC000624235957 350239752 /nfs/dbraw/zinc/23/97/52/350239752.db2.gz SYVUTRARQGBOAT-HZSPNIEDSA-N 0 3 267.756 2.067 10 0 CEAEHN CN[C@H](C)c1cccn1CC(=O)Nc1ccccc1OC ZINC000091800545 180259464 /nfs/dbraw/zinc/25/94/64/180259464.db2.gz XXCSYQABNKBAJO-GFCCVEGCSA-N 0 3 287.363 2.416 10 0 CEAEHN Cc1cccc(NC(=O)Cn2cccc2[C@@H](C)N)c1 ZINC000091799850 180259048 /nfs/dbraw/zinc/25/90/48/180259048.db2.gz TXJBMBBZPONKBW-GFCCVEGCSA-N 0 3 257.337 2.455 10 0 CEAEHN N[C@@H]1CCCc2sc([C@@H]3CN4CCC[C@@H]4CO3)nc21 ZINC000091722534 180240842 /nfs/dbraw/zinc/24/08/42/180240842.db2.gz MLWSVCNSAONXCH-MXWKQRLJSA-N 0 3 279.409 2.015 10 0 CEAEHN Cc1noc(CCNCc2c[nH]nc2-c2ccc(C)o2)n1 ZINC000105469685 186059343 /nfs/dbraw/zinc/05/93/43/186059343.db2.gz GCTKTEFDQAYUHH-UHFFFAOYSA-N 0 3 287.323 2.002 10 0 CEAEHN CCOc1ccccc1CNCCc1nc(C)no1 ZINC000105470225 186059348 /nfs/dbraw/zinc/05/93/48/186059348.db2.gz XGXYPAIWACRVOI-UHFFFAOYSA-N 0 3 261.325 2.109 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc3ccc(F)cc3s2)C1 ZINC000091939642 180289441 /nfs/dbraw/zinc/28/94/41/180289441.db2.gz GMYGYEIFAXETHE-WPRPVWTQSA-N 0 3 252.314 2.485 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H]2CCCc3sccc32)C1 ZINC000092052686 180313042 /nfs/dbraw/zinc/31/30/42/180313042.db2.gz QMZHBBCCUTXATH-TZMCWYRMSA-N 0 3 280.437 2.436 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)Oc1ccc(C)nc1CNC ZINC000091994468 180301305 /nfs/dbraw/zinc/30/13/05/180301305.db2.gz AOITWEBUJYUDGT-LBPRGKRZSA-N 0 3 293.411 2.182 10 0 CEAEHN Cc1ccc(O[C@@H]2CCC[C@@H]2O)c(CNC(C)C)n1 ZINC000091995527 180301788 /nfs/dbraw/zinc/30/17/88/180301788.db2.gz QGZJWEPFCKQJQZ-DZGCQCFKSA-N 0 3 264.369 2.180 10 0 CEAEHN Cc1ccc(OCCCC(=O)N(C)C)c(CNC(C)C)n1 ZINC000091995537 180301888 /nfs/dbraw/zinc/30/18/88/180301888.db2.gz PWBNRMFEOWPJGE-UHFFFAOYSA-N 0 3 293.411 2.135 10 0 CEAEHN CCCNCc1nc(C)ccc1OCCOCC ZINC000091995068 180301893 /nfs/dbraw/zinc/30/18/93/180301893.db2.gz HJXQVDTUULHEHY-UHFFFAOYSA-N 0 3 252.358 2.305 10 0 CEAEHN COC(=O)CCOc1ccc(C)nc1CNC(C)(C)C ZINC000091995991 180302072 /nfs/dbraw/zinc/30/20/72/180302072.db2.gz FUJBVOGPOMTPHJ-UHFFFAOYSA-N 0 3 280.368 2.220 10 0 CEAEHN CCN(Cc1nc(C)ccc1[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091996057 180302347 /nfs/dbraw/zinc/30/23/47/180302347.db2.gz PDFUNEOPPGTOFT-PBWFPOADSA-N 0 3 275.396 2.201 10 0 CEAEHN CCC(CC)N(C)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115703 180327239 /nfs/dbraw/zinc/32/72/39/180327239.db2.gz LCYRCHIQYIYVQQ-UHFFFAOYSA-N 0 3 288.388 2.094 10 0 CEAEHN CN[C@H](c1ccc(OC)c(OC)c1)C(C)(C)OC ZINC000092138932 180333540 /nfs/dbraw/zinc/33/35/40/180333540.db2.gz BITAINVAJDHYSP-CYBMUJFWSA-N 0 3 253.342 2.389 10 0 CEAEHN CCN[C@@H](c1cc(Cl)cnc1N)C(C)(C)OC ZINC000092139281 180333818 /nfs/dbraw/zinc/33/38/18/180333818.db2.gz RJWUWYTWUKBXBZ-JTQLQIEISA-N 0 3 257.765 2.393 10 0 CEAEHN C[C@H](O)CCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000092151325 180334659 /nfs/dbraw/zinc/33/46/59/180334659.db2.gz GIOOYEHQHRXWPD-GOEBONIOSA-N 0 3 290.407 2.101 10 0 CEAEHN Cc1ccc(NC(=O)CN2C[C@@H](C)[C@H](C)C2)c(N)c1 ZINC000092081308 180319337 /nfs/dbraw/zinc/31/93/37/180319337.db2.gz OMLKLTLPGLMKIC-VXGBXAGGSA-N 0 3 261.369 2.104 10 0 CEAEHN Cc1ccc(NC(=O)CN2C[C@@H](C)[C@H](C)C2)cc1N ZINC000092081434 180319421 /nfs/dbraw/zinc/31/94/21/180319421.db2.gz GJZMBELFJYJYAW-VXGBXAGGSA-N 0 3 261.369 2.104 10 0 CEAEHN Cc1c(N)cccc1NC(=O)CN1C[C@H](C)[C@@H](C)C1 ZINC000092081635 180319685 /nfs/dbraw/zinc/31/96/85/180319685.db2.gz OHZVYIIPYDRIRG-QWRGUYRKSA-N 0 3 261.369 2.104 10 0 CEAEHN C[C@H]1CN(Cc2cc3c(cc2N)OCCO3)C[C@@H]1C ZINC000092080858 180319818 /nfs/dbraw/zinc/31/98/18/180319818.db2.gz ZPGDCPJRIJBRDI-QWRGUYRKSA-N 0 3 262.353 2.128 10 0 CEAEHN CNCc1cn(C[C@@H]2COc3ccccc32)nc1C ZINC000092306684 180360282 /nfs/dbraw/zinc/36/02/82/180360282.db2.gz YFFJXAFCYUDMKS-CYBMUJFWSA-N 0 3 257.337 2.087 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239506 180351038 /nfs/dbraw/zinc/35/10/38/180351038.db2.gz JIKYLLDDKHKINS-NTZNESFSSA-N 0 3 276.405 2.085 10 0 CEAEHN CC(C)Oc1cccc(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000105924702 186091182 /nfs/dbraw/zinc/09/11/82/186091182.db2.gz YDAFJIXXFLMBNJ-QGZVFWFLSA-N 0 3 292.423 2.236 10 0 CEAEHN CCn1cnnc1C1CCN(C[C@@H]2CCCCO2)CC1 ZINC000105929610 186092373 /nfs/dbraw/zinc/09/23/73/186092373.db2.gz ASIVYJLYDAXJON-AWEZNQCLSA-N 0 3 278.400 2.047 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)NC[C@@H]1CCCCN1C ZINC000092327791 180363010 /nfs/dbraw/zinc/36/30/10/180363010.db2.gz UXWZEEMVKVOHMT-MFKMUULPSA-N 0 3 251.374 2.426 10 0 CEAEHN CCCN(CCN(C)C)Cc1cccc(NCC)n1 ZINC000092369359 180369759 /nfs/dbraw/zinc/36/97/59/180369759.db2.gz GAXBDBVRNFTGKL-UHFFFAOYSA-N 0 3 264.417 2.287 10 0 CEAEHN COc1ccc2c(c1)[C@@](N)(c1cncnc1)CCC2 ZINC000092367247 180370104 /nfs/dbraw/zinc/37/01/04/180370104.db2.gz AKUUZLSIRCYQKE-HNNXBMFYSA-N 0 3 255.321 2.024 10 0 CEAEHN CCc1ccc([C@@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000106388062 186113709 /nfs/dbraw/zinc/11/37/09/186113709.db2.gz BIZJMJQBNUGBDX-CZUORRHYSA-N 0 3 262.397 2.230 10 0 CEAEHN COc1ccc([C@H]2CN[C@@H](C(C)C)CO2)cc1OC ZINC000092403140 180378345 /nfs/dbraw/zinc/37/83/45/180378345.db2.gz QOQVJEFJJQYRLL-IUODEOHRSA-N 0 3 265.353 2.389 10 0 CEAEHN FC(F)(F)CNCCN[C@H]1C[C@H]1c1ccccc1 ZINC000092435255 180385050 /nfs/dbraw/zinc/38/50/50/180385050.db2.gz YRMOLQTWGLRFHY-RYUDHWBXSA-N 0 3 258.287 2.284 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000108270535 186209511 /nfs/dbraw/zinc/20/95/11/186209511.db2.gz JQVVZQJITODOAH-NSHDSACASA-N 0 3 291.376 2.179 10 0 CEAEHN COc1c(CNCC2(C)CCCC2)c(C)nn1C ZINC000108881041 186234325 /nfs/dbraw/zinc/23/43/25/186234325.db2.gz YGPYWYWVKOVBAM-UHFFFAOYSA-N 0 3 251.374 2.407 10 0 CEAEHN CN(c1cc(CO)nc2ccccc21)[C@H]1CCCN(C)C1 ZINC000109594725 186265041 /nfs/dbraw/zinc/26/50/41/186265041.db2.gz WQCCMSRLPNUQBC-AWEZNQCLSA-N 0 3 285.391 2.258 10 0 CEAEHN CCC[C@@H](C(N)=S)N1CCN(C[C@H](C)CC)CC1 ZINC000109470210 186254589 /nfs/dbraw/zinc/25/45/89/186254589.db2.gz YVHZSAXIKLNGDC-OLZOCXBDSA-N 0 3 271.474 2.105 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(c2nc(C)cs2)CC1 ZINC000109471655 186254861 /nfs/dbraw/zinc/25/48/61/186254861.db2.gz SAUYEKFWUCWTPS-LLVKDONJSA-N 0 3 298.481 2.028 10 0 CEAEHN CC(=O)N[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000110107517 186285450 /nfs/dbraw/zinc/28/54/50/186285450.db2.gz GFJBYGFZNIAFKL-HNNXBMFYSA-N 0 3 299.374 2.041 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CCCn1ccnc1 ZINC000110629239 186307315 /nfs/dbraw/zinc/30/73/15/186307315.db2.gz ANAODHBMXWPQFR-UHFFFAOYSA-N 0 3 289.314 2.053 10 0 CEAEHN NCc1c(Oc2ccccc2CO)nc2ccccn21 ZINC000110994287 186340706 /nfs/dbraw/zinc/34/07/06/186340706.db2.gz DXYHVWSKBJHRKX-UHFFFAOYSA-N 0 3 269.304 2.078 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1c(N)cccc1Cl ZINC000111011695 186343536 /nfs/dbraw/zinc/34/35/36/186343536.db2.gz GOKUGRLFEXXAAG-SNVBAGLBSA-N 0 3 281.787 2.136 10 0 CEAEHN CC(C)(C)N1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111030610 186346424 /nfs/dbraw/zinc/34/64/24/186346424.db2.gz XAKUJZFBSOWLKZ-UHFFFAOYSA-N 0 3 295.427 2.380 10 0 CEAEHN COC1CCN([C@H](CN)c2cccc(F)c2F)CC1 ZINC000111039233 186346971 /nfs/dbraw/zinc/34/69/71/186346971.db2.gz VYYLDRGKKIXHQL-CYBMUJFWSA-N 0 3 270.323 2.075 10 0 CEAEHN CN[C@H](CN(C)C[C@@H]1CCCOC1)c1ccccc1OC ZINC000111160317 186361591 /nfs/dbraw/zinc/36/15/91/186361591.db2.gz CSRPAGZZUMQUHA-GOEBONIOSA-N 0 3 292.423 2.314 10 0 CEAEHN CCCOCCOCCCOc1ccccc1CN ZINC000111106439 186352870 /nfs/dbraw/zinc/35/28/70/186352870.db2.gz DRUGKSPGILAVAP-UHFFFAOYSA-N 0 3 267.369 2.357 10 0 CEAEHN CCCOCCOC[C@@H](N)c1ccc2c(c1)OCCCO2 ZINC000111108543 186353385 /nfs/dbraw/zinc/35/33/85/186353385.db2.gz SCMHZKVKTOHQNN-CQSZACIVSA-N 0 3 295.379 2.291 10 0 CEAEHN CCCOCCOC[C@@H](N)c1ccc(OC)cc1OC ZINC000111108397 186353395 /nfs/dbraw/zinc/35/33/95/186353395.db2.gz VJWAZWLLUPGYIK-CQSZACIVSA-N 0 3 283.368 2.147 10 0 CEAEHN CCOCCN(CC)CCc1nc2cc(N)ccc2[nH]1 ZINC000111116315 186354011 /nfs/dbraw/zinc/35/40/11/186354011.db2.gz OGPLNHLIRJIOHA-UHFFFAOYSA-N 0 3 276.384 2.046 10 0 CEAEHN CCOCCN(CC)c1nc(C)c([C@@H](C)N)s1 ZINC000111124480 186354710 /nfs/dbraw/zinc/35/47/10/186354710.db2.gz GBXOESXXDUUYJQ-SECBINFHSA-N 0 3 257.403 2.334 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1ccccc1OCC ZINC000111117808 186354743 /nfs/dbraw/zinc/35/47/43/186354743.db2.gz UYDDKAJPXVAIRK-OAHLLOKOSA-N 0 3 280.412 2.444 10 0 CEAEHN CCOCCN(CC)c1ncc([C@@H](C)NC)s1 ZINC000111124541 186355154 /nfs/dbraw/zinc/35/51/54/186355154.db2.gz NFCHGQHXAZCWRV-SNVBAGLBSA-N 0 3 257.403 2.286 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160991 186363432 /nfs/dbraw/zinc/36/34/32/186363432.db2.gz FVKUFFILRBAWSG-YSVLISHTSA-N 0 3 290.407 2.067 10 0 CEAEHN CCCNc1ccccc1C(=O)N(C)CCN(C)C ZINC000111141525 186358625 /nfs/dbraw/zinc/35/86/25/186358625.db2.gz PDALRRFRBMZZIJ-UHFFFAOYSA-N 0 3 263.385 2.142 10 0 CEAEHN CCC[C@@H]1CCC(=O)[C@H](CN(C)CCN(C)C)C1 ZINC000111146380 186358951 /nfs/dbraw/zinc/35/89/51/186358951.db2.gz SSXNXIUQULEBSG-KGLIPLIRSA-N 0 3 254.418 2.265 10 0 CEAEHN CCc1ccc([C@H](O)[C@@H](C)N(C)CCN(C)C)cc1 ZINC000111142665 186359534 /nfs/dbraw/zinc/35/95/34/186359534.db2.gz HBHJIXUJYNVKNJ-CZUORRHYSA-N 0 3 264.413 2.164 10 0 CEAEHN CNCc1cnc(N(C)CC2CCOCC2)c(Cl)c1 ZINC000111174326 186365341 /nfs/dbraw/zinc/36/53/41/186365341.db2.gz PTWRYPRGWRKWPA-UHFFFAOYSA-N 0 3 283.803 2.317 10 0 CEAEHN Cc1ccccc1CN(C)C[C@@]1(CO)CCCOC1 ZINC000111331489 186399608 /nfs/dbraw/zinc/39/96/08/186399608.db2.gz HQRYBSSVBZVAEC-MRXNPFEDSA-N 0 3 263.381 2.216 10 0 CEAEHN CCN(Cc1cccs1)C[C@@]1(CO)CCCOC1 ZINC000111331478 186399845 /nfs/dbraw/zinc/39/98/45/186399845.db2.gz KPMCILVUUCCMEN-CQSZACIVSA-N 0 3 269.410 2.359 10 0 CEAEHN FC(F)(F)[C@@]1(c2nc(-c3ccccc3)n[n-]2)CC[NH2+]C1 ZINC000111241371 186374585 /nfs/dbraw/zinc/37/45/85/186374585.db2.gz ORJKREDAYFDWNP-LBPRGKRZSA-N 0 3 282.269 2.265 10 0 CEAEHN Cc1c(F)cccc1NC(=O)c1ccc(CN)cn1 ZINC000111282067 186388621 /nfs/dbraw/zinc/38/86/21/186388621.db2.gz KCJKKAZAIAFNNY-UHFFFAOYSA-N 0 3 259.284 2.240 10 0 CEAEHN CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CN)cn1 ZINC000111281788 186388811 /nfs/dbraw/zinc/38/88/11/186388811.db2.gz XTNANQFGULMGQK-STQMWFEESA-N 0 3 261.369 2.239 10 0 CEAEHN C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN)cn1 ZINC000111282091 186388873 /nfs/dbraw/zinc/38/88/73/186388873.db2.gz MFKYABDFOCQJJL-CYBMUJFWSA-N 0 3 283.375 2.291 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000123573274 187099111 /nfs/dbraw/zinc/09/91/11/187099111.db2.gz ZKROFGLQOSYKRI-KRWDZBQOSA-N 0 3 276.424 2.192 10 0 CEAEHN C[C@@H](N)c1nc(-c2ccc(Br)s2)n[nH]1 ZINC000070598070 363100942 /nfs/dbraw/zinc/10/09/42/363100942.db2.gz XEFPNIXIOJUDJZ-SCSAIBSYSA-N 0 3 273.159 2.315 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2cc(C)ccc2OC)C1 ZINC000252729855 539896749 /nfs/dbraw/zinc/89/67/49/539896749.db2.gz IPUZIROTPTZZMJ-HUUCEWRRSA-N 0 3 292.423 2.375 10 0 CEAEHN CCCOc1cccc(CC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000153610088 188093158 /nfs/dbraw/zinc/09/31/58/188093158.db2.gz BKXMDKQQQVMCOI-OAHLLOKOSA-N 0 3 290.407 2.180 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)COc2ccc(F)cc2)C1 ZINC000155332589 188199002 /nfs/dbraw/zinc/19/90/02/188199002.db2.gz RIOLAAGYPLMTOO-DOMZBBRYSA-N 0 3 294.370 2.049 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccccc2F)C1 ZINC000155687270 188221057 /nfs/dbraw/zinc/22/10/57/188221057.db2.gz SSOWSYBHLKPVDD-RISCZKNCSA-N 0 3 264.344 2.284 10 0 CEAEHN Cc1ccc(OCC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000155724094 188224047 /nfs/dbraw/zinc/22/40/47/188224047.db2.gz HRJDCIGONOMLNC-GOEBONIOSA-N 0 3 290.407 2.219 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)C1CCC1 ZINC000073722336 363243164 /nfs/dbraw/zinc/24/31/64/363243164.db2.gz ANCYMERYCBBBMU-GFCCVEGCSA-N 0 3 255.406 2.157 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(CCCCC(=O)OCC)C1 ZINC000132733886 366167965 /nfs/dbraw/zinc/16/79/65/366167965.db2.gz DGGBYIALWHVHSF-AWEZNQCLSA-N 0 3 298.427 2.101 10 0 CEAEHN COc1nc(C(=O)N2CC[C@H](N(C)C)C2)cc2ccccc21 ZINC000170855189 188697687 /nfs/dbraw/zinc/69/76/87/188697687.db2.gz XLAORAXVFNVJMM-ZDUSSCGKSA-N 0 3 299.374 2.020 10 0 CEAEHN COc1c(CNCCc2cccc(F)c2)c(C)nn1C ZINC000134111669 366288185 /nfs/dbraw/zinc/28/81/85/366288185.db2.gz JINWPORCKRIQTJ-UHFFFAOYSA-N 0 3 277.343 2.209 10 0 CEAEHN CC[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCS1 ZINC000076072715 363517918 /nfs/dbraw/zinc/51/79/18/363517918.db2.gz IEPZOKOYBGRBSV-HZPDHXFCSA-N 0 3 295.448 2.392 10 0 CEAEHN CO[C@H]1CCCN(C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000076343436 363538719 /nfs/dbraw/zinc/53/87/19/363538719.db2.gz RWKWBVYSVUMYIP-CVEARBPZSA-N 0 3 293.407 2.154 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1ccsc1 ZINC000227905545 538769623 /nfs/dbraw/zinc/76/96/23/538769623.db2.gz OBIKNQCKAUZMKV-CYBMUJFWSA-N 0 3 257.399 2.358 10 0 CEAEHN O=C(C[C@@H]1CC[NH2+]C1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000166461430 540346947 /nfs/dbraw/zinc/34/69/47/540346947.db2.gz NFXRIANOFOJDIB-QMMMGPOBSA-N 0 3 288.269 2.349 10 0 CEAEHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2O)cc1 ZINC000135957489 366484918 /nfs/dbraw/zinc/48/49/18/366484918.db2.gz BDNBHPUAXLTFBL-CVEARBPZSA-N 0 3 290.407 2.172 10 0 CEAEHN CCC[C@@H](N)C(=O)NC[C@H](C)COCc1ccccc1 ZINC000236957967 370665173 /nfs/dbraw/zinc/66/51/73/370665173.db2.gz CBVAJYZQEKWMHC-DZGCQCFKSA-N 0 3 278.396 2.083 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@@H](O)CN2CCCCC2)o1 ZINC000151338531 366640210 /nfs/dbraw/zinc/64/02/10/366640210.db2.gz ASMPRWBLUXYQQQ-UONOGXRCSA-N 0 3 266.385 2.085 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000176979792 189018253 /nfs/dbraw/zinc/01/82/53/189018253.db2.gz VOSQWMFWOCABKO-LBPRGKRZSA-N 0 3 292.427 2.264 10 0 CEAEHN Cc1ccc2nc(CN3CCN4CCCC[C@@H]4C3)cn2c1 ZINC000176990170 189019193 /nfs/dbraw/zinc/01/91/93/189019193.db2.gz MFJHCWJDBYSNLA-MRXNPFEDSA-N 0 3 284.407 2.313 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1ccccc1F ZINC000176996443 189019738 /nfs/dbraw/zinc/01/97/38/189019738.db2.gz TYGQPDCGTCVKPA-AWEZNQCLSA-N 0 3 278.371 2.311 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@@H]2C1)c1c(F)cccc1F ZINC000177766360 189067852 /nfs/dbraw/zinc/06/78/52/189067852.db2.gz WVAOLDARVJLQFJ-IUODEOHRSA-N 0 3 296.361 2.168 10 0 CEAEHN O=C(CCc1ccc(F)cc1F)N1CCN2CCC[C@H]2C1 ZINC000178539378 189125509 /nfs/dbraw/zinc/12/55/09/189125509.db2.gz TZDFZNRBNPKEJA-AWEZNQCLSA-N 0 3 294.345 2.204 10 0 CEAEHN CC[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccc(OC)cc1 ZINC000180335011 189250597 /nfs/dbraw/zinc/25/05/97/189250597.db2.gz RKVDAHUFMVMBBE-HOCLYGCPSA-N 0 3 290.407 2.351 10 0 CEAEHN CCOc1ccc([C@@H](C)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000180591166 189263949 /nfs/dbraw/zinc/26/39/49/189263949.db2.gz LRJGTYRYTANOPT-TZMCWYRMSA-N 0 3 286.379 2.342 10 0 CEAEHN CCCc1cnc(NC(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000180797363 189276131 /nfs/dbraw/zinc/27/61/31/189276131.db2.gz NEPNHKSCRMAABJ-SNVBAGLBSA-N 0 3 282.413 2.263 10 0 CEAEHN Cc1nscc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000181065612 189287802 /nfs/dbraw/zinc/28/78/02/189287802.db2.gz ZVESPMNDRVSODB-CQSZACIVSA-N 0 3 289.404 2.484 10 0 CEAEHN CC(C)CSCCCN1CCO[C@H](CN(C)C)C1 ZINC000152941136 366723066 /nfs/dbraw/zinc/72/30/66/366723066.db2.gz GWFFMYWUGXAAHB-CQSZACIVSA-N 0 3 274.474 2.028 10 0 CEAEHN O=C(Nc1ccnc(Cl)c1)N1CCN2CCC[C@@H]2C1 ZINC000181918880 189310459 /nfs/dbraw/zinc/31/04/59/189310459.db2.gz PVACNQOXJJKWEB-LLVKDONJSA-N 0 3 280.759 2.047 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1csnc1C ZINC000182094626 189313880 /nfs/dbraw/zinc/31/38/80/189313880.db2.gz NTAVVBJURUZJLX-VXGBXAGGSA-N 0 3 279.409 2.150 10 0 CEAEHN c1cn(CCCN2CCCC[C@@H]2c2cn[nH]c2)cn1 ZINC000182910230 189339259 /nfs/dbraw/zinc/33/92/59/189339259.db2.gz RNQWOJHUCBKDPW-CQSZACIVSA-N 0 3 259.357 2.224 10 0 CEAEHN CCC[C@H](NC1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000154861403 366794311 /nfs/dbraw/zinc/79/43/11/366794311.db2.gz NARPCGIHCRAJQA-ZDUSSCGKSA-N 0 3 270.417 2.181 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000183094340 189346098 /nfs/dbraw/zinc/34/60/98/189346098.db2.gz ZXGQRQCDSHSCLN-GFCCVEGCSA-N 0 3 279.384 2.003 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)Nc1cccnc1Cl)[C@@H]1CCCO1 ZINC000183141116 189347957 /nfs/dbraw/zinc/34/79/57/189347957.db2.gz TXJQFTZGCYKBBK-SCVCMEIPSA-N 0 3 297.786 2.219 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](C)c1nccs1)N(C)C ZINC000183508613 189360827 /nfs/dbraw/zinc/36/08/27/189360827.db2.gz RCZRMVIQPFBWDJ-QWRGUYRKSA-N 0 3 269.414 2.093 10 0 CEAEHN COC(=O)COc1ccccc1[C@H](C)N[C@H]1C[C@H]1C ZINC000183552491 189361928 /nfs/dbraw/zinc/36/19/28/189361928.db2.gz OFFCAAQQNPBKMT-MDZLAQPJSA-N 0 3 263.337 2.297 10 0 CEAEHN Oc1ccc([C@H]2NCCN[C@H]2c2ccc(O)cc2)cc1 ZINC000022925780 361590377 /nfs/dbraw/zinc/59/03/77/361590377.db2.gz HLGPUULQSDIQOP-IYBDPMFKSA-N 0 3 270.332 2.073 10 0 CEAEHN CCc1nsc(N2C[C@H]3CCCN3C[C@@H]2CC)n1 ZINC000301950450 201273694 /nfs/dbraw/zinc/27/36/94/201273694.db2.gz GQSXYKWHASHQTP-WDEREUQCSA-N 0 3 266.414 2.164 10 0 CEAEHN COc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1 ZINC000027559892 361654792 /nfs/dbraw/zinc/65/47/92/361654792.db2.gz LDCRJXLYXZVDCM-UHFFFAOYSA-N 0 3 285.303 2.220 10 0 CEAEHN Cc1cccc2c(NCC(=O)NCC3CC3)ccnc12 ZINC000302060207 201325112 /nfs/dbraw/zinc/32/51/12/201325112.db2.gz RACKQUCOEOSDAH-UHFFFAOYSA-N 0 3 269.348 2.481 10 0 CEAEHN OC1CC(CNCc2cc(F)ccc2Br)C1 ZINC000084449216 363811440 /nfs/dbraw/zinc/81/14/40/363811440.db2.gz HBGMVFDWGYFAMH-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000092632796 364092411 /nfs/dbraw/zinc/09/24/11/364092411.db2.gz NJIINLYFVGJNLM-CYBMUJFWSA-N 0 3 276.380 2.257 10 0 CEAEHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000092632796 364092416 /nfs/dbraw/zinc/09/24/16/364092416.db2.gz NJIINLYFVGJNLM-CYBMUJFWSA-N 0 3 276.380 2.257 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1n[nH]c2ccccc21 ZINC000092667293 364097259 /nfs/dbraw/zinc/09/72/59/364097259.db2.gz AVMUOBFPWOXJJJ-LBPRGKRZSA-N 0 3 286.379 2.119 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCc2ccc(C)cc2)C1 ZINC000116535519 365062191 /nfs/dbraw/zinc/06/21/91/365062191.db2.gz UKFGHEDGLSSEHM-INIZCTEOSA-N 0 3 289.423 2.321 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000117786550 365125465 /nfs/dbraw/zinc/12/54/65/365125465.db2.gz XWXQIEWGGKWBRR-MVGZEHJDSA-N 0 3 295.386 2.411 10 0 CEAEHN COCCN1CCN(C[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000116878816 365078158 /nfs/dbraw/zinc/07/81/58/365078158.db2.gz UGSCQIMDCGIJBB-CVEARBPZSA-N 0 3 276.424 2.443 10 0 CEAEHN Cc1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1C ZINC000118787240 365178854 /nfs/dbraw/zinc/17/88/54/365178854.db2.gz LJFOYEMYUPCMEB-OAHLLOKOSA-N 0 3 291.395 2.098 10 0 CEAEHN C[C@@]1(C(=O)N2CCO[C@H](c3ccccc3)C2)CCCCN1 ZINC000119070815 365211976 /nfs/dbraw/zinc/21/19/76/365211976.db2.gz LHPMWHMORAXNNU-RDJZCZTQSA-N 0 3 288.391 2.119 10 0 CEAEHN CN(C)C[C@H](NC(=O)C1CC=CC1)c1ccccc1 ZINC000119467640 365278476 /nfs/dbraw/zinc/27/84/76/365278476.db2.gz XTEWMWKHOPNUHY-HNNXBMFYSA-N 0 3 258.365 2.372 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC(C)(CC)CC)C1 ZINC000121100078 365523017 /nfs/dbraw/zinc/52/30/17/365523017.db2.gz BITDKIXBPWOTJQ-LBPRGKRZSA-N 0 3 255.406 2.349 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@](C)(O)CCC(C)C)N(C)C ZINC000120924705 365497209 /nfs/dbraw/zinc/49/72/09/365497209.db2.gz OIDJVFLPYGOTDF-ZFWWWQNUSA-N 0 3 272.433 2.020 10 0 CEAEHN C[C@H](N[C@H]1CCO[C@@H]1c1nccn1C)c1cncc(F)c1 ZINC000583616537 367073719 /nfs/dbraw/zinc/07/37/19/367073719.db2.gz INIPVRBPWWJLSC-BPNCWPANSA-N 0 3 290.342 2.135 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)c1ccc(C)o1)N(C)C ZINC000161570081 367097926 /nfs/dbraw/zinc/09/79/26/367097926.db2.gz GWXWGLMMPTXRAQ-NWDGAFQWSA-N 0 3 252.358 2.496 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1c(F)cccc1F)N(C)C ZINC000161655668 367103711 /nfs/dbraw/zinc/10/37/11/367103711.db2.gz ITJWCNZEVBDYBV-AWEZNQCLSA-N 0 3 284.350 2.354 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CC[C@H]1CCCCO1 ZINC000245430700 370818786 /nfs/dbraw/zinc/81/87/86/370818786.db2.gz MATWUDMSMRSQHL-LSDHHAIUSA-N 0 3 282.428 2.278 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)CCc1cccn1C)N(C)C ZINC000162311597 367151620 /nfs/dbraw/zinc/15/16/20/367151620.db2.gz UDQIFNHJXHSUMJ-UKRRQHHQSA-N 0 3 279.428 2.193 10 0 CEAEHN C[C@H](c1ncc(C(C)(C)C)o1)N1CCO[C@@H](CN(C)C)C1 ZINC000245456388 370822691 /nfs/dbraw/zinc/82/26/91/370822691.db2.gz BHXUUDYOCMRESD-OLZOCXBDSA-N 0 3 295.427 2.296 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC=CCC1 ZINC000245461148 370823424 /nfs/dbraw/zinc/82/34/24/370823424.db2.gz FRPYJBGLMULFSF-CABCVRRESA-N 0 3 279.428 2.468 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@@H](C)N(C)C[C@H]1CCCN1CC ZINC000245474643 370826401 /nfs/dbraw/zinc/82/64/01/370826401.db2.gz RDFXNFACPHIVDR-RRFJBIMHSA-N 0 3 283.460 2.096 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(CCOC(C)(C)C)C1 ZINC000170651696 367391947 /nfs/dbraw/zinc/39/19/47/367391947.db2.gz VAALIXLUSQWXIJ-CYBMUJFWSA-N 0 3 270.417 2.182 10 0 CEAEHN Cc1ccc(C)c(CC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000170828861 367428083 /nfs/dbraw/zinc/42/80/83/367428083.db2.gz XJVWJYUKFSDBEZ-MRXNPFEDSA-N 0 3 272.392 2.153 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCc2ccc(Cl)s2)C1 ZINC000170865405 367435759 /nfs/dbraw/zinc/43/57/59/367435759.db2.gz INHPERMHVGHVCK-SNVBAGLBSA-N 0 3 286.828 2.497 10 0 CEAEHN C/C(=C\C(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000170864445 367436724 /nfs/dbraw/zinc/43/67/24/367436724.db2.gz ZTNAHFKPVRAYED-PABFRNLHSA-N 0 3 276.355 2.392 10 0 CEAEHN O=C(Cc1cccc(Cl)c1)N1CCN2CCC[C@H]2C1 ZINC000171299676 367516762 /nfs/dbraw/zinc/51/67/62/367516762.db2.gz LSZZHWAEQOVDQY-AWEZNQCLSA-N 0 3 278.783 2.189 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC000171303080 367519127 /nfs/dbraw/zinc/51/91/27/367519127.db2.gz YXZOZHWIQFYIJE-CQSZACIVSA-N 0 3 278.371 2.266 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171902098 367635361 /nfs/dbraw/zinc/63/53/61/367635361.db2.gz BNKJRFPXZMDIHW-HZSPNIEDSA-N 0 3 265.401 2.055 10 0 CEAEHN Cn1cc([C@H]2CCCN2CCc2cccnc2)cn1 ZINC000172161154 367686656 /nfs/dbraw/zinc/68/66/56/367686656.db2.gz XYLARLHBUGRNHA-OAHLLOKOSA-N 0 3 256.353 2.195 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@@H](C)CCc2ccccc2)CC1 ZINC000172355757 367724780 /nfs/dbraw/zinc/72/47/80/367724780.db2.gz JEQDNCKYCWVYGO-FUHWJXTLSA-N 0 3 290.451 2.396 10 0 CEAEHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000245933471 370890359 /nfs/dbraw/zinc/89/03/59/370890359.db2.gz KBGUAMMVVFBVCP-BFHYXJOUSA-N 0 3 290.432 2.467 10 0 CEAEHN CS[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000172539014 367773022 /nfs/dbraw/zinc/77/30/22/367773022.db2.gz BMWCXTYUEFDKNG-ZIAGYGMSSA-N 0 3 278.421 2.253 10 0 CEAEHN C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1ccccn1 ZINC000245886283 370883728 /nfs/dbraw/zinc/88/37/28/370883728.db2.gz IYEQBJWXPNYVEJ-KNXALSJPSA-N 0 3 254.333 2.391 10 0 CEAEHN CC(C)(C)c1noc(CN2CCN3CCCC[C@@H]3C2)n1 ZINC000172800771 367821296 /nfs/dbraw/zinc/82/12/96/367821296.db2.gz BOUPBMZOIJHVGC-GFCCVEGCSA-N 0 3 278.400 2.037 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](N3CC=CC3)C2)o1 ZINC000173464742 367912361 /nfs/dbraw/zinc/91/23/61/367912361.db2.gz CQRISHTUWIQZIB-UONOGXRCSA-N 0 3 289.379 2.305 10 0 CEAEHN COC(=O)c1occc1CNC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000343634840 367930522 /nfs/dbraw/zinc/93/05/22/367930522.db2.gz FOAJFSVNHXTOQQ-ZSBIGDGJSA-N 0 3 281.352 2.359 10 0 CEAEHN CCCc1ncc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)s1 ZINC000173743899 367940112 /nfs/dbraw/zinc/94/01/12/367940112.db2.gz SFGQEPRWTABUFP-NWDGAFQWSA-N 0 3 293.436 2.404 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1 ZINC000175360774 368128718 /nfs/dbraw/zinc/12/87/18/368128718.db2.gz GHRFDGGXWRRWPM-HNNXBMFYSA-N 0 3 275.396 2.041 10 0 CEAEHN C[C@H](OC1CCCCCC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177549459 368273610 /nfs/dbraw/zinc/27/36/10/368273610.db2.gz AWICAEZFZPGHBJ-LSDHHAIUSA-N 0 3 294.439 2.421 10 0 CEAEHN CCC[C@H](C)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000180101226 368367753 /nfs/dbraw/zinc/36/77/53/368367753.db2.gz DTNDFYPTXPGTNZ-STQMWFEESA-N 0 3 280.416 2.493 10 0 CEAEHN CCC[C@@H](C)CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000180129678 368367872 /nfs/dbraw/zinc/36/78/72/368367872.db2.gz PAJXLGQJQLHWDH-HIFRSBDPSA-N 0 3 265.401 2.329 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCc2ncnn2C1 ZINC000180601418 368388037 /nfs/dbraw/zinc/38/80/37/368388037.db2.gz HHBHRGRNPTTYRA-QWHCGFSZSA-N 0 3 286.379 2.261 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CN1CCO[C@H](Cn2cccn2)C1 ZINC000183059861 368607947 /nfs/dbraw/zinc/60/79/47/368607947.db2.gz NMYAIGAGYFLZRI-OAGGEKHMSA-N 0 3 277.412 2.410 10 0 CEAEHN CC(C)c1nnc(CN[C@@H](CCO)C2CCCCC2)n1C ZINC000183705730 368644316 /nfs/dbraw/zinc/64/43/16/368644316.db2.gz SJXKAJICZRNBBZ-AWEZNQCLSA-N 0 3 294.443 2.359 10 0 CEAEHN Cc1cncc([C@H](C)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000184406595 368693947 /nfs/dbraw/zinc/69/39/47/368693947.db2.gz BGQMEUZJSPBDOB-GOEBONIOSA-N 0 3 297.406 2.500 10 0 CEAEHN CCc1oc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1C ZINC000246078022 370906156 /nfs/dbraw/zinc/90/61/56/370906156.db2.gz ZGVXPZSFHMFXQV-CHWSQXEVSA-N 0 3 276.380 2.459 10 0 CEAEHN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@H](N(C)C)C1 ZINC000184949705 368729785 /nfs/dbraw/zinc/72/97/85/368729785.db2.gz AKZPBJKNMXSXKB-QLFBSQMISA-N 0 3 282.428 2.134 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCO[C@H](C)CC(C)C)C1 ZINC000246138250 370914504 /nfs/dbraw/zinc/91/45/04/370914504.db2.gz DZFIZKCIIFBHQE-CABCVRRESA-N 0 3 284.444 2.428 10 0 CEAEHN CCOC(CN1CC[C@@H](CNc2ccccn2)C1)OCC ZINC000184973156 368732859 /nfs/dbraw/zinc/73/28/59/368732859.db2.gz RSVRGGCHAJNJTA-AWEZNQCLSA-N 0 3 293.411 2.215 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1cn(C)c2ccccc12 ZINC000185304426 368783938 /nfs/dbraw/zinc/78/39/38/368783938.db2.gz UHRWCKKNPDIDHK-KGLIPLIRSA-N 0 3 299.418 2.444 10 0 CEAEHN C[C@@H](N[C@H]1CCCS(=O)(=O)CC1)c1cccs1 ZINC000634949798 368983919 /nfs/dbraw/zinc/98/39/19/368983919.db2.gz AFCKHLDYIOANJP-MNOVXSKESA-N 0 3 273.423 2.366 10 0 CEAEHN Cc1ccc(CN2CCCN(c3cccnn3)CC2)c(C)n1 ZINC000186963063 369077035 /nfs/dbraw/zinc/07/70/35/369077035.db2.gz PGRNTDPHXLUFTJ-UHFFFAOYSA-N 0 3 297.406 2.201 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccncc1C ZINC000188305088 369335638 /nfs/dbraw/zinc/33/56/38/369335638.db2.gz FNPVQUZVOMYFLF-HNNXBMFYSA-N 0 3 290.411 2.016 10 0 CEAEHN CCN(C)C(=O)[C@@H](C)NC[C@H](C)c1ccc(OC)cc1 ZINC000188896523 369426302 /nfs/dbraw/zinc/42/63/02/369426302.db2.gz OZMAAQHUOXPHIR-QWHCGFSZSA-N 0 3 278.396 2.255 10 0 CEAEHN C[C@@H]1CC[C@@H](CC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246447424 370961984 /nfs/dbraw/zinc/96/19/84/370961984.db2.gz FAXYIFKJDOJXJN-MCIONIFRSA-N 0 3 250.386 2.119 10 0 CEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2cccnc2)C1 ZINC000190472024 369627782 /nfs/dbraw/zinc/62/77/82/369627782.db2.gz SCNZCEHWJONZRH-GOSISDBHSA-N 0 3 296.418 2.431 10 0 CEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cccnc2)C1 ZINC000190472002 369627921 /nfs/dbraw/zinc/62/79/21/369627921.db2.gz SCNZCEHWJONZRH-SFHVURJKSA-N 0 3 296.418 2.431 10 0 CEAEHN Cc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)c(Cl)c1 ZINC000191251889 369694010 /nfs/dbraw/zinc/69/40/10/369694010.db2.gz RGTWBAOVCUVIMM-GFCCVEGCSA-N 0 3 296.798 2.051 10 0 CEAEHN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCCN1 ZINC000156837236 284180908 /nfs/dbraw/zinc/18/09/08/284180908.db2.gz NWHPTOOTIGTZEK-OUAUKWLOSA-N 0 3 278.318 2.366 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000192924504 369872073 /nfs/dbraw/zinc/87/20/73/369872073.db2.gz ZNXGNRVVFZBMQU-WDEREUQCSA-N 0 3 283.334 2.437 10 0 CEAEHN Clc1ccsc1CN[C@H]1CCc2ncnn2C1 ZINC000193091917 369891904 /nfs/dbraw/zinc/89/19/04/369891904.db2.gz FHPGDYVUNFLTJC-QMMMGPOBSA-N 0 3 268.773 2.098 10 0 CEAEHN C=Cn1cc(CNC(C)(C)CNC(=O)OC(C)(C)C)cn1 ZINC000194288188 370021661 /nfs/dbraw/zinc/02/16/61/370021661.db2.gz BMVXHFBTDQTHAX-UHFFFAOYSA-N 0 3 294.399 2.377 10 0 CEAEHN CCCCOC[C@@H](O)CN(Cc1ccncc1)C1CC1 ZINC000195202884 370114619 /nfs/dbraw/zinc/11/46/19/370114619.db2.gz XWXZKMFLWDDMPB-INIZCTEOSA-N 0 3 278.396 2.224 10 0 CEAEHN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000637884874 370146695 /nfs/dbraw/zinc/14/66/95/370146695.db2.gz UNBOCBBZBLWSBP-TUKIKUTGSA-N 0 3 276.380 2.103 10 0 CEAEHN C[C@H](CCNCc1cccnc1)NC(=O)OC(C)(C)C ZINC000222086954 370249485 /nfs/dbraw/zinc/24/94/85/370249485.db2.gz YBNSGZCWNIJWGH-GFCCVEGCSA-N 0 3 279.384 2.475 10 0 CEAEHN CC(C)n1nccc1CNC[C@H]1CCCC[C@H]1O ZINC000354424801 370357479 /nfs/dbraw/zinc/35/74/79/370357479.db2.gz TXFKUKUEFXYLSQ-TZMCWYRMSA-N 0 3 251.374 2.105 10 0 CEAEHN NC[C@H](NC(=O)c1cscc1Cl)C(F)(F)F ZINC000638398461 370499354 /nfs/dbraw/zinc/49/93/54/370499354.db2.gz ZQYNCPJRLAAVHO-LURJTMIESA-N 0 3 272.679 2.021 10 0 CEAEHN NC[C@@H](NC(=O)c1cscc1Cl)C(F)(F)F ZINC000638398468 370499835 /nfs/dbraw/zinc/49/98/35/370499835.db2.gz ZQYNCPJRLAAVHO-ZCFIWIBFSA-N 0 3 272.679 2.021 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000236787779 370626714 /nfs/dbraw/zinc/62/67/14/370626714.db2.gz XTJIHTLNPXKCPD-ZWNOBZJWSA-N 0 3 250.342 2.460 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cc2c(cc1SC)OCCO2 ZINC000236796640 370630186 /nfs/dbraw/zinc/63/01/86/370630186.db2.gz VKXKJUKXZFQLCI-SECBINFHSA-N 0 3 296.392 2.246 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(N(C)C)c1 ZINC000246973363 371039487 /nfs/dbraw/zinc/03/94/87/371039487.db2.gz DREZXOUWNQTOMF-BBRMVZONSA-N 0 3 287.407 2.061 10 0 CEAEHN C[C@H](Oc1ccccc1)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000247173242 371074160 /nfs/dbraw/zinc/07/41/60/371074160.db2.gz KSHJKSDZCYOMAT-SOUVJXGZSA-N 0 3 288.391 2.149 10 0 CEAEHN O=C(NC[C@@H]1CCc2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000247598867 371129088 /nfs/dbraw/zinc/12/90/88/371129088.db2.gz TXNXBWXTDRFJTN-HOTGVXAUSA-N 0 3 299.418 2.206 10 0 CEAEHN CCOC(=O)[C@@H](CC(C)C)N1CCN2CCCC[C@H]2C1 ZINC000248417049 371189835 /nfs/dbraw/zinc/18/98/35/371189835.db2.gz JGHDCXYOVHXSIC-LSDHHAIUSA-N 0 3 282.428 2.134 10 0 CEAEHN CC(C)CCc1noc(CN2CCN3CCCC[C@H]3C2)n1 ZINC000248342516 371177098 /nfs/dbraw/zinc/17/70/98/371177098.db2.gz JPIWFQCWURAMJZ-AWEZNQCLSA-N 0 3 292.427 2.328 10 0 CEAEHN OC[C@@H]1CN(CCOCC(F)F)C[C@H]1c1ccsc1 ZINC000248867311 371258131 /nfs/dbraw/zinc/25/81/31/371258131.db2.gz BDMWGZMYBFIAJA-RYUDHWBXSA-N 0 3 291.363 2.038 10 0 CEAEHN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN2CCC[C@H]2C1 ZINC000248646712 371230424 /nfs/dbraw/zinc/23/04/24/371230424.db2.gz PKDJOCRTMGLVLL-PMPSAXMXSA-N 0 3 294.439 2.278 10 0 CEAEHN C[C@H](O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000248657682 371231925 /nfs/dbraw/zinc/23/19/25/371231925.db2.gz STDCRDRVCJGHAD-FZMZJTMJSA-N 0 3 265.328 2.244 10 0 CEAEHN C[C@@H](NC(=O)[C@H](C)N[C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248857261 371256509 /nfs/dbraw/zinc/25/65/09/371256509.db2.gz PIIKNFXKZKBLSU-HGTKMLMNSA-N 0 3 290.407 2.409 10 0 CEAEHN O[C@@H](CC1CCCC1)CN1CC[C@H](Oc2cccnc2)C1 ZINC000249122946 371297735 /nfs/dbraw/zinc/29/77/35/371297735.db2.gz TWAMATJFPLWZNB-RDJZCZTQSA-N 0 3 290.407 2.476 10 0 CEAEHN C[C@H](CNC(=O)[C@H]1CCCO[C@H]1C)N1CCC[C@@H](C)C1 ZINC000249208048 371305478 /nfs/dbraw/zinc/30/54/78/371305478.db2.gz CDKCTLBICRISGE-KBXIAJHMSA-N 0 3 282.428 2.038 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCOC(C)C ZINC000249716014 371354601 /nfs/dbraw/zinc/35/46/01/371354601.db2.gz ILBFQTBZZBDVIU-MCIONIFRSA-N 0 3 269.385 2.218 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000249773249 371362127 /nfs/dbraw/zinc/36/21/27/371362127.db2.gz UPURXNUNIVCFEQ-RDBSUJKOSA-N 0 3 267.417 2.349 10 0 CEAEHN COc1cccc([C@H](C)C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000249827571 371365627 /nfs/dbraw/zinc/36/56/27/371365627.db2.gz LSHGKBGHSBBWMB-ZFWWWQNUSA-N 0 3 288.391 2.105 10 0 CEAEHN OC[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1c1ccsc1 ZINC000249594430 371344071 /nfs/dbraw/zinc/34/40/71/371344071.db2.gz WKZQELAEBHJKMW-KKUMJFAQSA-N 0 3 281.421 2.325 10 0 CEAEHN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H](N)C1CCOCC1 ZINC000261604771 371674600 /nfs/dbraw/zinc/67/46/00/371674600.db2.gz ALDWTEILZICRKO-HEHGZKQESA-N 0 3 290.407 2.049 10 0 CEAEHN CO[C@@H](C)c1cccc(NC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261745363 371718412 /nfs/dbraw/zinc/71/84/12/371718412.db2.gz DNTOALKKPWZGBI-XHDPSFHLSA-N 0 3 292.379 2.086 10 0 CEAEHN CC(C)C[C@@H]1CCCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000262177034 371834207 /nfs/dbraw/zinc/83/42/07/371834207.db2.gz YWCCBKQRFRVFFR-ZFWWWQNUSA-N 0 3 282.428 2.025 10 0 CEAEHN C[C@H](CN1CCN(C)CC1)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000262317732 371851210 /nfs/dbraw/zinc/85/12/10/371851210.db2.gz DTMNUNLPDWFBFX-IIAWOOMASA-N 0 3 291.439 2.129 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1nnc(C)s1 ZINC000362273628 372293679 /nfs/dbraw/zinc/29/36/79/372293679.db2.gz BPFXJHRTFGVCGN-QWHCGFSZSA-N 0 3 280.441 2.295 10 0 CEAEHN CC[C@](C)(O)CN1CCC(c2nccs2)CC1 ZINC000372504865 374145659 /nfs/dbraw/zinc/14/56/59/374145659.db2.gz OTFMRRBAKSEWCP-ZDUSSCGKSA-N 0 3 254.399 2.484 10 0 CEAEHN CCN1CC[C@H](N[C@@H](C)c2nc3ccccc3n2C)C1 ZINC000389268526 375301354 /nfs/dbraw/zinc/30/13/54/375301354.db2.gz QLDXUOGIUWJGAD-STQMWFEESA-N 0 3 272.396 2.318 10 0 CEAEHN CCn1nccc1CNC[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000282629166 375534762 /nfs/dbraw/zinc/53/47/62/375534762.db2.gz GCUFJSQUHOSYOK-LBPRGKRZSA-N 0 3 296.415 2.248 10 0 CEAEHN CCC[C@H](N)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000262577311 190057859 /nfs/dbraw/zinc/05/78/59/190057859.db2.gz OXCWMTIABQXDLR-AWEZNQCLSA-N 0 3 278.371 2.392 10 0 CEAEHN C[C@@H]1[C@H](Nc2ncc[nH]c2=O)CCN1Cc1ccccc1 ZINC000307738567 376571363 /nfs/dbraw/zinc/57/13/63/376571363.db2.gz WZCXKRPPBMVBRQ-TZMCWYRMSA-N 0 3 284.363 2.257 10 0 CEAEHN Cc1cc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)ncn1 ZINC000328630595 376868050 /nfs/dbraw/zinc/86/80/50/376868050.db2.gz JOYYUHZIVNTZPS-INIZCTEOSA-N 0 3 297.406 2.138 10 0 CEAEHN C[C@](O)(CN1CCN(C2CCC2)CC1)c1ccccc1 ZINC000264991872 190150099 /nfs/dbraw/zinc/15/00/99/190150099.db2.gz NIABNVISCIRAEP-KRWDZBQOSA-N 0 3 274.408 2.064 10 0 CEAEHN CCn1c(C)nnc1CN1CCN(C2CCCCC2)CC1 ZINC000178746711 249330395 /nfs/dbraw/zinc/33/03/95/249330395.db2.gz GRJJLTSOIYGSNL-UHFFFAOYSA-N 0 3 291.443 2.057 10 0 CEAEHN COc1cc(F)cc(CNC[C@H]2CCC[C@H]2O)c1 ZINC000312567970 249372802 /nfs/dbraw/zinc/37/28/02/249372802.db2.gz YBECDNLLLDDOTN-BXUZGUMPSA-N 0 3 253.317 2.085 10 0 CEAEHN CCN1CC[C@@H](NC(=O)c2cccc(Br)c2)C1 ZINC000334576694 380627278 /nfs/dbraw/zinc/62/72/78/380627278.db2.gz BBXKTFRTDBLEHN-GFCCVEGCSA-N 0 3 297.196 2.273 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C\c2ncccc2C)C1 ZINC000493356724 380942976 /nfs/dbraw/zinc/94/29/76/380942976.db2.gz RLCABZVXAFBYCP-QIAWRQBBSA-N 0 3 273.380 2.004 10 0 CEAEHN COc1cc([C@@H](C)N[C@H](C)C(OC)OC)ccc1O ZINC000079607531 184595484 /nfs/dbraw/zinc/59/54/84/184595484.db2.gz CONGKIVKAKSBPI-NXEZZACHSA-N 0 3 269.341 2.059 10 0 CEAEHN CCCCOCCO[C@H]1Cc2ccc(OC)cc2[C@@H]1N ZINC000092840240 184631375 /nfs/dbraw/zinc/63/13/75/184631375.db2.gz HUORHLXNLHNEOA-HOTGVXAUSA-N 0 3 279.380 2.453 10 0 CEAEHN OCCNC1c2ccccc2CCc2ccccc21 ZINC000139069224 285260615 /nfs/dbraw/zinc/26/06/15/285260615.db2.gz CGEBHOMNRKKPNF-UHFFFAOYSA-N 0 3 253.345 2.457 10 0 CEAEHN NCc1c(F)cccc1Oc1ccccc1C(N)=O ZINC000093395638 184671398 /nfs/dbraw/zinc/67/13/98/184671398.db2.gz GMARNPAYHYTDEH-UHFFFAOYSA-N 0 3 260.268 2.176 10 0 CEAEHN CC(C)CS(=O)(=O)[C@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000081928493 177900001 /nfs/dbraw/zinc/90/00/01/177900001.db2.gz QHHGRHIQNCUVHO-AGIUHOORSA-N 0 3 261.431 2.209 10 0 CEAEHN CC[C@@H](NCC(C)(C)S(C)(=O)=O)c1ccc(O)cc1 ZINC000093520680 184687788 /nfs/dbraw/zinc/68/77/88/184687788.db2.gz PKVOLHYUMYRAQM-CYBMUJFWSA-N 0 3 285.409 2.256 10 0 CEAEHN Cc1ccc(C)c([C@H](N)[C@H]2CN(C(C)C)CCO2)c1 ZINC000093926058 184744666 /nfs/dbraw/zinc/74/46/66/184744666.db2.gz JAMXNKQEHNJYMZ-CVEARBPZSA-N 0 3 262.397 2.412 10 0 CEAEHN CC[C@@](C)(N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000094236376 184767617 /nfs/dbraw/zinc/76/76/17/184767617.db2.gz BKZOOCMBXYLAMA-PRHODGIISA-N 0 3 255.387 2.065 10 0 CEAEHN CC[C@@](C)(N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000094236374 184767684 /nfs/dbraw/zinc/76/76/84/184767684.db2.gz BKZOOCMBXYLAMA-QPUJVOFHSA-N 0 3 255.387 2.065 10 0 CEAEHN Nc1ccc(N[C@H]2CCOc3ccccc32)nc1N ZINC000094260378 184770787 /nfs/dbraw/zinc/77/07/87/184770787.db2.gz PLGCRQYTTFPFDB-NSHDSACASA-N 0 3 256.309 2.182 10 0 CEAEHN COC(=O)C[C@](C)(N)c1ccccc1C(F)(F)F ZINC000094290050 184776703 /nfs/dbraw/zinc/77/67/03/184776703.db2.gz VZMJFLNZGKWCBU-NSHDSACASA-N 0 3 261.243 2.442 10 0 CEAEHN CCCOc1ccc(C2(CN)OCCCO2)cc1 ZINC000094764496 184856294 /nfs/dbraw/zinc/85/62/94/184856294.db2.gz ZMIBIFHNCJKBSO-UHFFFAOYSA-N 0 3 251.326 2.024 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)N[C@H]1CCCS[C@@H]1C ZINC000094477475 184807786 /nfs/dbraw/zinc/80/77/86/184807786.db2.gz IKYGUAKBDXGPJX-TUAOUCFPSA-N 0 3 258.431 2.117 10 0 CEAEHN Cc1nn(C)c(Sc2cccc(F)c2)c1CN ZINC000094623437 184828250 /nfs/dbraw/zinc/82/82/50/184828250.db2.gz MWUOOEBDMUFPLP-UHFFFAOYSA-N 0 3 251.330 2.478 10 0 CEAEHN COC(=O)[C@H]1CN(c2ccnc3ccccc32)C[C@@H]1C ZINC000095016192 184916013 /nfs/dbraw/zinc/91/60/13/184916013.db2.gz PTKKCSOIXYETOH-AAEUAGOBSA-N 0 3 270.332 2.480 10 0 CEAEHN CCN(Cc1ccccn1)[C@H](C)[C@@H](C)C(=O)OC ZINC000094919600 184894258 /nfs/dbraw/zinc/89/42/58/184894258.db2.gz PGYIQVOPFFONFB-VXGBXAGGSA-N 0 3 250.342 2.101 10 0 CEAEHN Cc1cccc(N2CCNCC2)c1Br ZINC000084595130 135033644 /nfs/dbraw/zinc/03/36/44/135033644.db2.gz KGOQWBKUZSPBRX-UHFFFAOYSA-N 0 3 255.159 2.167 10 0 CEAEHN COC[C@@H](N[C@H]1CC(=O)N(C)c2ccccc21)C(C)C ZINC000086682932 135048290 /nfs/dbraw/zinc/04/82/90/135048290.db2.gz AKOIRLOXIPVKPY-UONOGXRCSA-N 0 3 276.380 2.355 10 0 CEAEHN COC[C@@H](N[C@@H]1CC(=O)N(C)c2ccccc21)C(C)C ZINC000086682928 135048645 /nfs/dbraw/zinc/04/86/45/135048645.db2.gz AKOIRLOXIPVKPY-ZIAGYGMSSA-N 0 3 276.380 2.355 10 0 CEAEHN CCNCc1cncc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000091422047 135070039 /nfs/dbraw/zinc/07/00/39/135070039.db2.gz VHPYWDILLNUINR-OCCSQVGLSA-N 0 3 260.385 2.355 10 0 CEAEHN Cc1ccc(C(F)(F)F)cc1N1CCC[C@H](N)C1=O ZINC000091481068 135071021 /nfs/dbraw/zinc/07/10/21/135071021.db2.gz MOEFKKXPWBWAKC-JTQLQIEISA-N 0 3 272.270 2.468 10 0 CEAEHN C[C@H]1c2ccsc2CCN1c1ccc(N)c(N)n1 ZINC000094260262 135084375 /nfs/dbraw/zinc/08/43/75/135084375.db2.gz WVKZXNULPLAEKZ-QMMMGPOBSA-N 0 3 260.366 2.431 10 0 CEAEHN Cc1ccc(C(N)=S)c(N2CCN3CCCC[C@@H]3C2)c1 ZINC000094440039 135087686 /nfs/dbraw/zinc/08/76/86/135087686.db2.gz DZRMULDISXJSBV-CYBMUJFWSA-N 0 3 289.448 2.304 10 0 CEAEHN CC1=CCC[C@H](C)[C@H]1CN1CCO[C@@H](CN(C)C)C1 ZINC000251743457 394569216 /nfs/dbraw/zinc/56/92/16/394569216.db2.gz QRSGFNURBZLDDG-JYJNAYRXSA-N 0 3 266.429 2.241 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCSCC[C@@H]2C)C1 ZINC000253281262 394576917 /nfs/dbraw/zinc/57/69/17/394576917.db2.gz WODUGIDHADTUIZ-HZSPNIEDSA-N 0 3 299.484 2.252 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@@H](C)C1 ZINC000247542735 394532370 /nfs/dbraw/zinc/53/23/70/394532370.db2.gz YODLIUZDKMOSCJ-QPSCCSFWSA-N 0 3 279.428 2.301 10 0 CEAEHN COc1cc(F)cc(CNC[C@@H]2CCCC[C@@H]2O)c1 ZINC000312271212 394540977 /nfs/dbraw/zinc/54/09/77/394540977.db2.gz JDUKDBPTORCVLL-WFASDCNBSA-N 0 3 267.344 2.475 10 0 CEAEHN CC[C@@H]1C[C@H](C(=O)N(C)C[C@H]2CCCN2CC)CCO1 ZINC000248589338 394543656 /nfs/dbraw/zinc/54/36/56/394543656.db2.gz RKGSRNGIZNFULK-RBSFLKMASA-N 0 3 282.428 2.134 10 0 CEAEHN CC[C@H]1CN(CCCc2ccccc2)CCN1C[C@@H](C)O ZINC000105826648 394722692 /nfs/dbraw/zinc/72/26/92/394722692.db2.gz ZBRABSTWEOQQHE-AEFFLSMTSA-N 0 3 290.451 2.396 10 0 CEAEHN C[C@@H]1CCC[C@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000172907781 395107369 /nfs/dbraw/zinc/10/73/69/395107369.db2.gz PVEZGSMALRBTQV-HZSPNIEDSA-N 0 3 250.386 2.119 10 0 CEAEHN CCOc1cc(C)nc(N2CCN([C@@H](C)CC)CC2)n1 ZINC000181125257 395209928 /nfs/dbraw/zinc/20/99/28/395209928.db2.gz CATRVXUQDFSNAB-ZDUSSCGKSA-N 0 3 278.400 2.104 10 0 CEAEHN CC[C@H](N[C@@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000188182515 395311156 /nfs/dbraw/zinc/31/11/56/395311156.db2.gz UHGARELNJGDEQW-KGLIPLIRSA-N 0 3 274.343 2.473 10 0 CEAEHN COc1ccccc1NC(=O)CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000646091221 396289492 /nfs/dbraw/zinc/28/94/92/396289492.db2.gz HRYLFBNVSMZINE-YNEHKIRRSA-N 0 3 274.364 2.412 10 0 CEAEHN Cc1oncc1CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000189657915 153102393 /nfs/dbraw/zinc/10/23/93/153102393.db2.gz JWUMUZVOXKSQBT-KBPBESRZSA-N 0 3 278.377 2.252 10 0 CEAEHN C[C@H](NCC(=O)NCCC1=CCCCC1)[C@@H]1CCCO1 ZINC000193124241 153226937 /nfs/dbraw/zinc/22/69/37/153226937.db2.gz JCVZXNVKHMKTFI-ZFWWWQNUSA-N 0 3 280.412 2.150 10 0 CEAEHN COc1ncccc1CN1CCC[C@@H]1Cn1ccnc1C ZINC000193371581 153232275 /nfs/dbraw/zinc/23/22/75/153232275.db2.gz BTJYTAFHTKYNIP-OAHLLOKOSA-N 0 3 286.379 2.260 10 0 CEAEHN O=C(c1cccc(OC(F)F)c1)N1CCN2CCC[C@H]2C1 ZINC000195314613 153280892 /nfs/dbraw/zinc/28/08/92/153280892.db2.gz FXWXBHXBZJOALG-LBPRGKRZSA-N 0 3 296.317 2.208 10 0 CEAEHN CCO[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000195338265 153289078 /nfs/dbraw/zinc/28/90/78/153289078.db2.gz YQMBLJZLTHWPME-CVEARBPZSA-N 0 3 288.391 2.071 10 0 CEAEHN C[C@H](O)C[C@H](C)NCc1cnn(-c2ccccc2)c1 ZINC000228076139 153354100 /nfs/dbraw/zinc/35/41/00/153354100.db2.gz VJBYGDCXNABKJA-STQMWFEESA-N 0 3 259.353 2.121 10 0 CEAEHN C[C@H](CC1CCCC1)c1nc([C@@H]2CNCCN2C)no1 ZINC000263166150 154029602 /nfs/dbraw/zinc/02/96/02/154029602.db2.gz FFDCCQMKOORAFX-YPMHNXCESA-N 0 3 278.400 2.330 10 0 CEAEHN Cc1ccccc1C1(c2nc([C@@H]3CNCCN3C)no2)CC1 ZINC000263208333 154034215 /nfs/dbraw/zinc/03/42/15/154034215.db2.gz JZMVOOOYIOXDLH-AWEZNQCLSA-N 0 3 298.390 2.034 10 0 CEAEHN C/C(=C/c1nc([C@@H]2CNCCN2C)no1)c1ccccc1 ZINC000263294198 154051532 /nfs/dbraw/zinc/05/15/32/154051532.db2.gz WCIDARJBKVKYOD-HCYCVZQXSA-N 0 3 284.363 2.206 10 0 CEAEHN COCCCN(C)CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152432103 292337816 /nfs/dbraw/zinc/33/78/16/292337816.db2.gz GXPDOOUTVOQHAQ-HZPDHXFCSA-N 0 3 296.455 2.287 10 0 CEAEHN COc1cc(C)nc(CN2CCC[C@H]2CCCO)c1 ZINC000168888914 162369960 /nfs/dbraw/zinc/36/99/60/162369960.db2.gz YZDNYYLVLHNAND-AWEZNQCLSA-N 0 3 264.369 2.136 10 0 CEAEHN O=C(NCCC1=CCCCC1)N1CCN2CCC[C@H]2C1 ZINC000171896361 165052113 /nfs/dbraw/zinc/05/21/13/165052113.db2.gz QYJCQPLVQGMVLT-HNNXBMFYSA-N 0 3 277.412 2.367 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCC1CCOCC1 ZINC000176983297 165181582 /nfs/dbraw/zinc/18/15/82/165181582.db2.gz LRUGCBJCKHKCER-OAHLLOKOSA-N 0 3 282.428 2.136 10 0 CEAEHN CCCSCC(=O)N(C)C[C@H]1CCCN1CC ZINC000177026130 165187303 /nfs/dbraw/zinc/18/73/03/165187303.db2.gz QPQVQMBRNUDFTL-GFCCVEGCSA-N 0 3 258.431 2.072 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccco1)CC2 ZINC000180628339 165316977 /nfs/dbraw/zinc/31/69/77/165316977.db2.gz XHFXVASGRUIRRE-GHMZBOCLSA-N 0 3 260.341 2.099 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cnc(C)s1)CC2 ZINC000180633807 165318407 /nfs/dbraw/zinc/31/84/07/165318407.db2.gz CZCXTSDYLZFRLU-ONGXEEELSA-N 0 3 291.424 2.271 10 0 CEAEHN CCCCC[C@H](CC)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000180862947 165322608 /nfs/dbraw/zinc/32/26/08/165322608.db2.gz PLODTHQISWELNI-GJZGRUSLSA-N 0 3 284.444 2.382 10 0 CEAEHN CCn1cc(C2CCN(C[C@H](C)OC)CC2)cn1 ZINC000182107812 165363100 /nfs/dbraw/zinc/36/31/00/165363100.db2.gz GOHKYTQGCKRGAW-LBPRGKRZSA-N 0 3 251.374 2.117 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H]1CC(C)(C)OC1(C)C)N(C)C ZINC000183102731 165383735 /nfs/dbraw/zinc/38/37/35/165383735.db2.gz HAUZIOSUCRHGRI-RYUDHWBXSA-N 0 3 270.417 2.179 10 0 CEAEHN CN(C)CCNC(=O)c1csc2c1CCCCC2 ZINC000005070320 170063869 /nfs/dbraw/zinc/06/38/69/170063869.db2.gz LYUYPWXCLYCPNC-UHFFFAOYSA-N 0 3 266.410 2.308 10 0 CEAEHN COc1ccc(CC(=O)Nc2cccc(CN)c2)cc1 ZINC000019400083 170784844 /nfs/dbraw/zinc/78/48/44/170784844.db2.gz QZTHXBBUAISGNU-UHFFFAOYSA-N 0 3 270.332 2.335 10 0 CEAEHN Fc1ccc(CN[C@H]2CN3CCC2CC3)cc1F ZINC000019946125 170936614 /nfs/dbraw/zinc/93/66/14/170936614.db2.gz LMTCIDLDYMBISI-AWEZNQCLSA-N 0 3 252.308 2.149 10 0 CEAEHN CCC[C@@H](C)NCC(=O)Nc1cccc(OC)c1 ZINC000020040656 170975780 /nfs/dbraw/zinc/97/57/80/170975780.db2.gz UEUFNIVUKRPLHU-LLVKDONJSA-N 0 3 250.342 2.412 10 0 CEAEHN COc1ccc2cc(CNCCNC(C)=O)ccc2c1 ZINC000020148682 171037028 /nfs/dbraw/zinc/03/70/28/171037028.db2.gz NNUUYUUKNMQNHA-UHFFFAOYSA-N 0 3 272.348 2.074 10 0 CEAEHN CC(C)(CO)NCc1ccccc1OC(F)(F)F ZINC000020196304 171061347 /nfs/dbraw/zinc/06/13/47/171061347.db2.gz MAJVSOAOUUOBRZ-UHFFFAOYSA-N 0 3 263.259 2.446 10 0 CEAEHN COc1cc(Br)c2c(c1OC)CNCC2 ZINC000020397581 171181124 /nfs/dbraw/zinc/18/11/24/171181124.db2.gz TYGOEQLXDIINDF-UHFFFAOYSA-N 0 3 272.142 2.112 10 0 CEAEHN Cc1nn(C)c(Oc2ccc3c(c2)CCC3)c1CN ZINC000020470391 171212552 /nfs/dbraw/zinc/21/25/52/171212552.db2.gz GHGVCUNGQCCTJL-UHFFFAOYSA-N 0 3 257.337 2.468 10 0 CEAEHN CO[C@@H]1C[C@@H](CO)N(Cc2ccc3nc(C)ccc3c2)C1 ZINC000284667336 196107461 /nfs/dbraw/zinc/10/74/61/196107461.db2.gz WWQDGGDNQHDBJT-JKSUJKDBSA-N 0 3 286.375 2.125 10 0 CEAEHN C[C@H]1CCC[C@H](C(=O)Nc2c(F)cccc2F)N1 ZINC000020476461 171221042 /nfs/dbraw/zinc/22/10/42/171221042.db2.gz DMIUAXBLJKIJDK-GZMMTYOYSA-N 0 3 254.280 2.434 10 0 CEAEHN C[C@@H](OC(C)(C)C)C(=O)Nc1ccccc1CN ZINC000020508663 171229462 /nfs/dbraw/zinc/22/94/62/171229462.db2.gz DPIBMODJLQAYIP-SNVBAGLBSA-N 0 3 250.342 2.287 10 0 CEAEHN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(CN)c1 ZINC000022219740 171377275 /nfs/dbraw/zinc/37/72/75/171377275.db2.gz MDKFJIDDDJBYJN-SMDDNHRTSA-N 0 3 282.409 2.002 10 0 CEAEHN COC[C@@H](C)NC1=NC[C@@H](c2ccccc2)S1 ZINC000035294485 172106209 /nfs/dbraw/zinc/10/62/09/172106209.db2.gz XLBPOHJHFGTLOW-PWSUYJOCSA-N 0 3 250.367 2.455 10 0 CEAEHN C[C@H]1CCCCN1c1nc2sccn2c1CN ZINC000035429606 172198238 /nfs/dbraw/zinc/19/82/38/172198238.db2.gz OZVZUSLACAMDSS-VIFPVBQESA-N 0 3 250.371 2.233 10 0 CEAEHN CCN[C@H](Cc1ccccc1OC)c1cnn(C)c1 ZINC000035555632 172261609 /nfs/dbraw/zinc/26/16/09/172261609.db2.gz GPYLVXFDZJFLTM-CQSZACIVSA-N 0 3 259.353 2.322 10 0 CEAEHN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N)c1 ZINC000035571721 172267367 /nfs/dbraw/zinc/26/73/67/172267367.db2.gz DIPGATWUKWINFF-UONOGXRCSA-N 0 3 292.379 2.357 10 0 CEAEHN CC[C@H](C)NS(=O)(=O)c1cccc([C@@H](C)NC)c1 ZINC000035632854 172315707 /nfs/dbraw/zinc/31/57/07/172315707.db2.gz ZMZRIPODIDKKCX-WDEREUQCSA-N 0 3 270.398 2.044 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1c(Cl)cc(Cl)cc1CN ZINC000035661890 172339690 /nfs/dbraw/zinc/33/96/90/172339690.db2.gz PFIOZOLDWSIADC-ZETCQYMHSA-N 0 3 291.178 2.356 10 0 CEAEHN Cn1cc(N[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000035737435 172390761 /nfs/dbraw/zinc/39/07/61/172390761.db2.gz VLMUARFDMSTSHS-HNNXBMFYSA-N 0 3 270.380 2.497 10 0 CEAEHN C[C@@H]1CS(=O)(=O)c2ccc(C(C)(C)C)cc2[C@@H]1N ZINC000035755766 172396526 /nfs/dbraw/zinc/39/65/26/172396526.db2.gz SMXCFSTYSGJFKG-NOZJJQNGSA-N 0 3 267.394 2.407 10 0 CEAEHN COc1ccc(OC)c(CN[C@@H]2CCC[C@H](O)C2)c1 ZINC000037166262 173000329 /nfs/dbraw/zinc/00/03/29/173000329.db2.gz LKRYNCMGPUJNBD-OLZOCXBDSA-N 0 3 265.353 2.097 10 0 CEAEHN CN(CCOc1cccc(N)c1)[C@H]1CCSC1 ZINC000037174107 173008449 /nfs/dbraw/zinc/00/84/49/173008449.db2.gz LNEPJMKKQZVGBZ-LBPRGKRZSA-N 0 3 252.383 2.085 10 0 CEAEHN CC[C@H](NCC(=O)NC)c1cccc(Br)c1 ZINC000037254049 173065145 /nfs/dbraw/zinc/06/51/45/173065145.db2.gz OJGVNXFAHPTHMO-NSHDSACASA-N 0 3 285.185 2.236 10 0 CEAEHN C[C@@H](N[C@@H](c1cccs1)C1CCCC1)C(N)=O ZINC000037261545 173071383 /nfs/dbraw/zinc/07/13/83/173071383.db2.gz WBMOCFHIIBOUPT-BXKDBHETSA-N 0 3 252.383 2.443 10 0 CEAEHN NC(=O)CCN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037262112 173071576 /nfs/dbraw/zinc/07/15/76/173071576.db2.gz KPNWCYFFVUQZHH-SNVBAGLBSA-N 0 3 289.162 2.282 10 0 CEAEHN CSCC[C@H](N)c1nc2c(cccc2F)n1C ZINC000037442551 173211244 /nfs/dbraw/zinc/21/12/44/173211244.db2.gz SSEIPUZXRYWYEQ-VIFPVBQESA-N 0 3 253.346 2.465 10 0 CEAEHN CC(C)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000037446545 173213357 /nfs/dbraw/zinc/21/33/57/173213357.db2.gz VAEPNPKXUZCGAE-GFCCVEGCSA-N 0 3 274.286 2.404 10 0 CEAEHN C[C@@H](NC(=O)CNC1CC1)c1ccc(Cl)s1 ZINC000037477044 173227884 /nfs/dbraw/zinc/22/78/84/173227884.db2.gz KRUOKNKMPOZSSP-SSDOTTSWSA-N 0 3 258.774 2.331 10 0 CEAEHN Cc1nc([C@@H](C)N[C@@H]2CN3CCC2CC3)cs1 ZINC000037507684 173241785 /nfs/dbraw/zinc/24/17/85/173241785.db2.gz IKHHLQXXPFMAEZ-BXKDBHETSA-N 0 3 251.399 2.196 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1c(C)nn(C(C)C)c1C ZINC000037771100 173703594 /nfs/dbraw/zinc/70/35/94/173703594.db2.gz HTFPPMSBPMIAHH-SNVBAGLBSA-N 0 3 266.389 2.407 10 0 CEAEHN O=C(CNC1CC1)N1CCc2sccc2[C@@H]1C1CC1 ZINC000037803203 173742151 /nfs/dbraw/zinc/74/21/51/173742151.db2.gz PXCBYCQHRSSLJZ-HNNXBMFYSA-N 0 3 276.405 2.336 10 0 CEAEHN COc1ccc([C@H](NC2CCCCC2)C(N)=O)cc1OC ZINC000037969707 173918062 /nfs/dbraw/zinc/91/80/62/173918062.db2.gz VVUPYEBVJSZVTF-HNNXBMFYSA-N 0 3 292.379 2.153 10 0 CEAEHN C[C@H](CNc1ccnc(C(=O)N(C)C)c1)N1CCCCC1 ZINC000038029269 174019581 /nfs/dbraw/zinc/01/95/81/174019581.db2.gz KADTZQGVBSKMPP-CYBMUJFWSA-N 0 3 290.411 2.070 10 0 CEAEHN CCN1CCC[C@H]1CNc1c(F)cc(N)cc1F ZINC000038039924 174039936 /nfs/dbraw/zinc/03/99/36/174039936.db2.gz YWNUENBNOPWKSM-JTQLQIEISA-N 0 3 255.312 2.443 10 0 CEAEHN CC(C)CCCNCc1ccc(C(N)=O)cc1F ZINC000038093986 174107324 /nfs/dbraw/zinc/10/73/24/174107324.db2.gz KUJLGKPNOHSITC-UHFFFAOYSA-N 0 3 252.333 2.450 10 0 CEAEHN CSCC[C@H](N)C(=O)N[C@H](C)c1ccccc1F ZINC000040464177 174273686 /nfs/dbraw/zinc/27/36/86/174273686.db2.gz NIEBMPCQMMLSSF-SKDRFNHKSA-N 0 3 270.373 2.083 10 0 CEAEHN CCN1CCC[C@H](NCc2cccc3c2OCCCO3)C1 ZINC000040502663 174298687 /nfs/dbraw/zinc/29/86/87/174298687.db2.gz ORZQUVYMVJYXTA-HNNXBMFYSA-N 0 3 290.407 2.422 10 0 CEAEHN COC(=O)[C@H](C)CN[C@H](C)c1sc(C)nc1C ZINC000040518632 174307798 /nfs/dbraw/zinc/30/77/98/174307798.db2.gz SJIZRMPGQFLILX-HTQZYQBOSA-N 0 3 256.371 2.220 10 0 CEAEHN CCOC(=O)CCN[C@@H](C)c1sc(C)nc1C ZINC000040518772 174308578 /nfs/dbraw/zinc/30/85/78/174308578.db2.gz GWKIIPVUBMGPFA-QMMMGPOBSA-N 0 3 256.371 2.364 10 0 CEAEHN COc1ccc(-c2nc([C@H]3C[C@@H](OC)CN3)[nH]c2C)cc1 ZINC000040637670 174361677 /nfs/dbraw/zinc/36/16/77/174361677.db2.gz IKNBBIZJPMEITQ-ZIAGYGMSSA-N 0 3 287.363 2.443 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3cc(C)oc3C)c[nH]2)C1 ZINC000040637751 174361697 /nfs/dbraw/zinc/36/16/97/174361697.db2.gz OSLFCXGPCYYEFM-JQWIXIFHSA-N 0 3 261.325 2.336 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3c(F)cccc3F)c[nH]2)C1 ZINC000040637832 174361812 /nfs/dbraw/zinc/36/18/12/174361812.db2.gz UEMUOESJPWUXPK-GZMMTYOYSA-N 0 3 279.290 2.404 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3ccc(F)cc3F)c[nH]2)C1 ZINC000040637854 174361973 /nfs/dbraw/zinc/36/19/73/174361973.db2.gz SAEMIBPLOBOQGZ-CABZTGNLSA-N 0 3 279.290 2.404 10 0 CEAEHN COc1ccccc1-c1c[nH]c([C@@H]2C[C@H](OC)CN2)n1 ZINC000040637915 174362473 /nfs/dbraw/zinc/36/24/73/174362473.db2.gz RXDTYRTXYBFVET-JQWIXIFHSA-N 0 3 273.336 2.135 10 0 CEAEHN CC(C)Oc1cccc([C@@H](CO)NC[C@@H]2CCCO2)c1 ZINC000040666837 174366254 /nfs/dbraw/zinc/36/62/54/174366254.db2.gz RFUFEVAXYPMLIN-JKSUJKDBSA-N 0 3 279.380 2.276 10 0 CEAEHN c1ccc(CCN2CC[C@@H](NCc3ccccn3)C2)cc1 ZINC000040671209 174368924 /nfs/dbraw/zinc/36/89/24/174368924.db2.gz RFTDRBKCFVMVDU-GOSISDBHSA-N 0 3 281.403 2.488 10 0 CEAEHN CN1CCC[C@@H](Nc2ccc(N)c(OC(C)(C)C)n2)C1 ZINC000040715768 174383016 /nfs/dbraw/zinc/38/30/16/174383016.db2.gz YTSHHABBHQKAPP-LLVKDONJSA-N 0 3 278.400 2.347 10 0 CEAEHN C[C@@H]1CCN([C@@H](CN)c2ccc(Br)o2)C1 ZINC000040717557 174384903 /nfs/dbraw/zinc/38/49/03/174384903.db2.gz MCYJQRHUCXLIBI-BDAKNGLRSA-N 0 3 273.174 2.384 10 0 CEAEHN Oc1ccc(CCN[C@@H]2COc3cc(O)ccc32)cc1 ZINC000040735464 174389049 /nfs/dbraw/zinc/38/90/49/174389049.db2.gz WMZRQYHVBSUCJT-OAHLLOKOSA-N 0 3 271.316 2.364 10 0 CEAEHN Cc1c(N)cc(C(=O)NCCN2CCCCCC2)cc1F ZINC000040766946 174398065 /nfs/dbraw/zinc/39/80/65/174398065.db2.gz NIKPGPZXBLBXER-UHFFFAOYSA-N 0 3 293.386 2.322 10 0 CEAEHN CC(C)(N)c1cn(CCOc2ccccc2Cl)nn1 ZINC000070118148 414766368 /nfs/dbraw/zinc/76/63/68/414766368.db2.gz PICLHXLADGSSSX-UHFFFAOYSA-N 0 3 280.759 2.204 10 0 CEAEHN CC(C)(N)c1cn(Cc2cc(-c3ccccc3)on2)nn1 ZINC000070118478 414766715 /nfs/dbraw/zinc/76/67/15/414766715.db2.gz BSICRLAFGBMEJI-UHFFFAOYSA-N 0 3 283.335 2.175 10 0 CEAEHN CCOc1ccc([C@@H](O)CCN(C)C)cc1OCC ZINC000041145767 174496338 /nfs/dbraw/zinc/49/63/38/174496338.db2.gz QTDADYGAGVXCRX-ZDUSSCGKSA-N 0 3 267.369 2.469 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ncccn1 ZINC000126433933 414800685 /nfs/dbraw/zinc/80/06/85/414800685.db2.gz SZAQFTHVWAMDDQ-QWHCGFSZSA-N 0 3 284.363 2.463 10 0 CEAEHN Cc1cc(C)cc(C(=O)N(C)[C@@H](CN)C(F)(F)F)c1 ZINC000662976356 414814686 /nfs/dbraw/zinc/81/46/86/414814686.db2.gz OFKRCTBGVALZSQ-NSHDSACASA-N 0 3 274.286 2.265 10 0 CEAEHN Cc1ccc(C)c(CC(=O)N(C)[C@H](CN)C(F)(F)F)c1 ZINC000662976550 414816963 /nfs/dbraw/zinc/81/69/63/414816963.db2.gz GNRJMSQMBBLRPF-GFCCVEGCSA-N 0 3 288.313 2.194 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662987188 414818655 /nfs/dbraw/zinc/81/86/55/414818655.db2.gz RTDKZRXQUNRKSF-KXUCPTDWSA-N 0 3 266.307 2.161 10 0 CEAEHN NCc1cnn(-c2ccc(Cl)nn2)c1-c1ccccc1 ZINC000042188592 174653660 /nfs/dbraw/zinc/65/36/60/174653660.db2.gz MBNOSJVCQAISMX-UHFFFAOYSA-N 0 3 285.738 2.441 10 0 CEAEHN N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043299940 175000593 /nfs/dbraw/zinc/00/05/93/175000593.db2.gz ISIAKCXOABRYCN-CPCISQLKSA-N 0 3 294.203 2.428 10 0 CEAEHN CN[C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300430 175000800 /nfs/dbraw/zinc/00/08/00/175000800.db2.gz RAZZOQBGZGTOBA-PWSUYJOCSA-N 0 3 273.785 2.035 10 0 CEAEHN CCN[C@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300808 175001744 /nfs/dbraw/zinc/00/17/44/175001744.db2.gz YECNAPJXNOUTNK-WCQYABFASA-N 0 3 287.812 2.425 10 0 CEAEHN CCCN[C@@H](c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301211 175001893 /nfs/dbraw/zinc/00/18/93/175001893.db2.gz XNLPUWPBDOVTEC-OCCSQVGLSA-N 0 3 285.384 2.301 10 0 CEAEHN CC[C@H](N)[C@H](c1ccc(C)o1)N1CCOC(C)(C)C1 ZINC000043364456 175025982 /nfs/dbraw/zinc/02/59/82/175025982.db2.gz KKKJKADDVDCVAP-GXTWGEPZSA-N 0 3 266.385 2.477 10 0 CEAEHN Fc1cc(F)cc(-c2noc([C@H]3CCCN3)n2)c1 ZINC000043387523 175032986 /nfs/dbraw/zinc/03/29/86/175032986.db2.gz NXOCFYLGQNMPIC-SNVBAGLBSA-N 0 3 251.236 2.439 10 0 CEAEHN CN(CCc1ccncc1)C[C@H]1NCCc2ccccc21 ZINC000043596103 175076762 /nfs/dbraw/zinc/07/67/62/175076762.db2.gz RRGWXDOSDMSUTH-GOSISDBHSA-N 0 3 281.403 2.443 10 0 CEAEHN CN[C@@H](CN1CCCCC1)c1cc(OC)ccc1OC ZINC000043813976 175111847 /nfs/dbraw/zinc/11/18/47/175111847.db2.gz AGLXMZOZBJGKBP-HNNXBMFYSA-N 0 3 278.396 2.450 10 0 CEAEHN CCN[C@H](CN(C)CC)c1ccc(OC)cc1OC ZINC000043820286 175114173 /nfs/dbraw/zinc/11/41/73/175114173.db2.gz QPUYKXXWSBSWIF-CQSZACIVSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@H](CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000043823300 175114449 /nfs/dbraw/zinc/11/44/49/175114449.db2.gz VHEDWHNRKXKNLY-CQSZACIVSA-N 0 3 278.396 2.449 10 0 CEAEHN CN[C@@H](CN(C)Cc1ccncc1)c1ccc(OC)cc1 ZINC000043893855 175118591 /nfs/dbraw/zinc/11/85/91/175118591.db2.gz WKKWJFRKVFJXJW-KRWDZBQOSA-N 0 3 285.391 2.483 10 0 CEAEHN CCN[C@H](CN1CCOC(C)(C)C1)c1ccccc1OC ZINC000043897831 175120494 /nfs/dbraw/zinc/12/04/94/175120494.db2.gz PXEQHAUJCZNMNY-OAHLLOKOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N(C)C1CCOCC1 ZINC000043898479 175121457 /nfs/dbraw/zinc/12/14/57/175121457.db2.gz AHKAWXLESDMPEV-WBVHZDCISA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](CN1CCOCC1(C)C)c1ccc(OC)cc1 ZINC000043916683 175125672 /nfs/dbraw/zinc/12/56/72/175125672.db2.gz QGLOTQROTCYPMG-HNNXBMFYSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@@H](CN(C)C[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000043965833 175127002 /nfs/dbraw/zinc/12/70/02/175127002.db2.gz ZICIGXOBJXALBV-HOTGVXAUSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOc1ccc([C@@H](CN(C)C[C@@H]2CCCO2)NC)cc1 ZINC000043965861 175127195 /nfs/dbraw/zinc/12/71/95/175127195.db2.gz QVKLCQRJWMNSRQ-DLBZAZTESA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@H]1c2ccccc2OC[C@@H]1N(CC)CCOC ZINC000043968808 175129761 /nfs/dbraw/zinc/12/97/61/175129761.db2.gz YIPPNSOTHRWNFY-RDJZCZTQSA-N 0 3 292.423 2.457 10 0 CEAEHN COc1ccccc1NC(=O)[C@@H](CN)Cc1ccccc1 ZINC000044797568 175254821 /nfs/dbraw/zinc/25/48/21/175254821.db2.gz AVSUBHNSEBTAMY-CQSZACIVSA-N 0 3 284.359 2.451 10 0 CEAEHN CCC[C@H](C)N(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044802064 175255497 /nfs/dbraw/zinc/25/54/97/175255497.db2.gz NNEZEQLWFWSNOP-ZFWWWQNUSA-N 0 3 262.397 2.451 10 0 CEAEHN C[C@H](NC(=O)[C@@H](CN)Cc1ccccc1)c1ccncc1 ZINC000044801140 175255571 /nfs/dbraw/zinc/25/55/71/175255571.db2.gz ZXXZBZSTUIDPML-XJKSGUPXSA-N 0 3 283.375 2.076 10 0 CEAEHN CCNCCS(=O)(=O)Nc1ccc2ccccc2c1 ZINC000044881445 175269751 /nfs/dbraw/zinc/26/97/51/175269751.db2.gz HUBMURIYIHXWHM-UHFFFAOYSA-N 0 3 278.377 2.191 10 0 CEAEHN C[C@@H](CN[C@@H](C)C(=O)N1CCCCCC1)N1CCCCC1 ZINC000044993354 175286881 /nfs/dbraw/zinc/28/68/81/175286881.db2.gz CCZHPQSAJIXUAR-HOTGVXAUSA-N 0 3 295.471 2.242 10 0 CEAEHN CCC1N=NC(=S)N1C[C@@H](C)N1CCCCC1 ZINC000045005127 175288193 /nfs/dbraw/zinc/28/81/93/175288193.db2.gz JCIKEOWRCRDNIT-SNVBAGLBSA-N 0 3 254.403 2.004 10 0 CEAEHN Cc1ccc(C(=O)NC[C@@H](C)N2CCCCC2)cc1O ZINC000045010689 175289300 /nfs/dbraw/zinc/28/93/00/175289300.db2.gz UNJMXTLDJDDAPC-CYBMUJFWSA-N 0 3 276.380 2.305 10 0 CEAEHN O=C([C@H]1CCCCN1)N1CCC[C@@H]1C1CCCC1 ZINC000045088283 175304073 /nfs/dbraw/zinc/30/40/73/175304073.db2.gz RIDPXMVTWJXVAR-ZIAGYGMSSA-N 0 3 250.386 2.310 10 0 CEAEHN CC1(C)C[C@H]1NS(=O)(=O)c1ccc(CNC2CC2)cc1 ZINC000045138396 175314445 /nfs/dbraw/zinc/31/44/45/175314445.db2.gz JIFOJUCEHUUDDL-CQSZACIVSA-N 0 3 294.420 2.015 10 0 CEAEHN CCCCCN(C)C[C@@](C)(NCCC)C(=O)OC ZINC000045268147 175340431 /nfs/dbraw/zinc/34/04/31/175340431.db2.gz KWOGMXYTNTUNNF-CQSZACIVSA-N 0 3 258.406 2.040 10 0 CEAEHN CCC(CC)[N@H+](C)CC[C@@](C)(NC(C)C)C(=O)[O-] ZINC000045269695 175341282 /nfs/dbraw/zinc/34/12/82/175341282.db2.gz ATCXMXBRQSYLIX-CQSZACIVSA-N 0 3 258.406 2.338 10 0 CEAEHN CCC(CC)[N@@H+](C)CC[C@@](C)(NC(C)C)C(=O)[O-] ZINC000045269695 175341283 /nfs/dbraw/zinc/34/12/83/175341283.db2.gz ATCXMXBRQSYLIX-CQSZACIVSA-N 0 3 258.406 2.338 10 0 CEAEHN CCC(CC)N(C)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045269695 175341285 /nfs/dbraw/zinc/34/12/85/175341285.db2.gz ATCXMXBRQSYLIX-CQSZACIVSA-N 0 3 258.406 2.338 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCC[C@@H](CC)C1)NC1CC1 ZINC000045270489 175342496 /nfs/dbraw/zinc/34/24/96/175342496.db2.gz QFKGFKVDOKNDGB-CJNGLKHVSA-N 0 3 282.428 2.182 10 0 CEAEHN COC(=O)[C@](C)(CN(C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045274736 175344781 /nfs/dbraw/zinc/34/47/81/175344781.db2.gz YLKGVRVBGRYAMP-WFASDCNBSA-N 0 3 272.433 2.283 10 0 CEAEHN CCCCN(C[C@](C)(NC1CC1)C(=O)OCC)C1CC1 ZINC000045276284 175346282 /nfs/dbraw/zinc/34/62/82/175346282.db2.gz FGPWEYKQPPJXTC-INIZCTEOSA-N 0 3 282.428 2.325 10 0 CEAEHN CCCN[C@@](C)(CN(CC(C)C)C1CC1)C(=O)OC ZINC000045277497 175347459 /nfs/dbraw/zinc/34/74/59/175347459.db2.gz CZOUXZHNSKBKMQ-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CC(C)[NH2+][C@](C)(CCN(C)CC(C)(C)C)C(=O)[O-] ZINC000045279364 175349631 /nfs/dbraw/zinc/34/96/31/175349631.db2.gz ZMTRKGVJUSGLDT-CQSZACIVSA-N 0 3 258.406 2.196 10 0 CEAEHN CCC1CCC([N@H+](C)CC[C@](C)(NC)C(=O)[O-])CC1 ZINC000045281126 175351589 /nfs/dbraw/zinc/35/15/89/175351589.db2.gz GVVPZLSETHUFLJ-PIMMBPRGSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC1CCC([N@@H+](C)CC[C@](C)(NC)C(=O)[O-])CC1 ZINC000045281126 175351591 /nfs/dbraw/zinc/35/15/91/175351591.db2.gz GVVPZLSETHUFLJ-PIMMBPRGSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCCN(C[C@H](NC(C)C)C(=O)OCC)C1CC1 ZINC000045421709 175379765 /nfs/dbraw/zinc/37/97/65/175379765.db2.gz MOUDIVIFVPNGCY-AWEZNQCLSA-N 0 3 270.417 2.181 10 0 CEAEHN CCC[C@H]1C[C@@](NCc2cccs2)(C(N)=O)CCO1 ZINC000070367748 175897480 /nfs/dbraw/zinc/89/74/80/175897480.db2.gz SDWTZMGVMUTDTG-SMDDNHRTSA-N 0 3 282.409 2.041 10 0 CEAEHN NCc1csc(N(CC(F)(F)F)C2CC2)n1 ZINC000070682267 176001391 /nfs/dbraw/zinc/00/13/91/176001391.db2.gz FOBXTWKYAOXSKJ-UHFFFAOYSA-N 0 3 251.277 2.133 10 0 CEAEHN NNc1ccc(Cl)c(CN(CC2CC2)C2CC2)n1 ZINC000070737033 176004316 /nfs/dbraw/zinc/00/43/16/176004316.db2.gz AVNHLHGOUXNHQR-UHFFFAOYSA-N 0 3 266.776 2.395 10 0 CEAEHN C[C@@H](N)c1csc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000070846594 176008724 /nfs/dbraw/zinc/00/87/24/176008724.db2.gz JEOLQBSKPPSWSR-HRDYMLBCSA-N 0 3 257.428 2.493 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000070987221 176018406 /nfs/dbraw/zinc/01/84/06/176018406.db2.gz GYHKJSJDZFKJOU-GXTWGEPZSA-N 0 3 266.291 2.118 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1cc(F)ccc1F ZINC000070987357 176018410 /nfs/dbraw/zinc/01/84/10/176018410.db2.gz ROZAQEGUJDQPLC-TZMCWYRMSA-N 0 3 266.291 2.118 10 0 CEAEHN C[C@@H](Cc1ccc(F)cc1)N1CC[C@H](NC2CC2)C1=O ZINC000071031261 176022731 /nfs/dbraw/zinc/02/27/31/176022731.db2.gz SJZOZMRXHPRTCO-NHYWBVRUSA-N 0 3 276.355 2.110 10 0 CEAEHN CCN[C@H]1CCN(c2cccc3ccc(C)nc32)C1=O ZINC000071031462 176023228 /nfs/dbraw/zinc/02/32/28/176023228.db2.gz OIJNZJQMPDIDCF-ZDUSSCGKSA-N 0 3 269.348 2.258 10 0 CEAEHN CCCN[C@@H]1CCN(c2nc(C(C)C)cs2)C1=O ZINC000071033797 176024421 /nfs/dbraw/zinc/02/44/21/176024421.db2.gz OCIDHIBBXYNCNI-SNVBAGLBSA-N 0 3 267.398 2.371 10 0 CEAEHN CCCN[C@H]1CCCN(c2ccc(OC)cc2C)C1=O ZINC000071042623 176028655 /nfs/dbraw/zinc/02/86/55/176028655.db2.gz JXJGJFIJFVKNQF-AWEZNQCLSA-N 0 3 276.380 2.499 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2cc(F)cc(F)c2F)C1=O ZINC000071042845 176029445 /nfs/dbraw/zinc/02/94/45/176029445.db2.gz HIAYPOJHWCLZRA-SNVBAGLBSA-N 0 3 272.270 2.207 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(C)C)CCCC[C@@H]1CC ZINC000071162795 176046927 /nfs/dbraw/zinc/04/69/27/176046927.db2.gz NBPQENWCZSGOBJ-DZGCQCFKSA-N 0 3 270.417 2.040 10 0 CEAEHN CC1(C)Cc2cccc(Oc3cnc(CN)cn3)c2O1 ZINC000071178258 176055736 /nfs/dbraw/zinc/05/57/36/176055736.db2.gz ORGAKWSQEGTKGP-UHFFFAOYSA-N 0 3 271.320 2.441 10 0 CEAEHN CC(=O)c1cc(F)ccc1N(C)C[C@@H]1CCN(C)C1 ZINC000071189370 176064269 /nfs/dbraw/zinc/06/42/69/176064269.db2.gz UPHBWTGUMNQSMG-GFCCVEGCSA-N 0 3 264.344 2.416 10 0 CEAEHN Cc1ccc(C(=O)CN(C)C[C@H]2CCN(C)C2)cc1 ZINC000071189814 176065262 /nfs/dbraw/zinc/06/52/62/176065262.db2.gz NKOLUQAEMXFGKN-AWEZNQCLSA-N 0 3 260.381 2.061 10 0 CEAEHN CCOC(=O)c1ncsc1N[C@@H](C)CN1CCCC1 ZINC000071202076 176078074 /nfs/dbraw/zinc/07/80/74/176078074.db2.gz VCUVHVMKRYCGGH-JTQLQIEISA-N 0 3 283.397 2.216 10 0 CEAEHN C[C@@H](Cn1cccn1)N1Cc2ccc(F)cc2C1=N ZINC000071268859 176102148 /nfs/dbraw/zinc/10/21/48/176102148.db2.gz QKKYDOBKJKEBOE-JTQLQIEISA-N 0 3 258.300 2.252 10 0 CEAEHN CC(C)COCCCNC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335421 176127239 /nfs/dbraw/zinc/12/72/39/176127239.db2.gz XGNZYOUZUPYGAA-UHFFFAOYSA-N 0 3 286.416 2.258 10 0 CEAEHN CNCC(=O)N[C@@H](c1cccnc1)c1ccc(C)cc1C ZINC000071404209 176155263 /nfs/dbraw/zinc/15/52/63/176155263.db2.gz NTBZEGBFWCSPND-KRWDZBQOSA-N 0 3 283.375 2.123 10 0 CEAEHN C[C@H](N)CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000071576821 176204649 /nfs/dbraw/zinc/20/46/49/176204649.db2.gz AGYZGVMBATVCGV-JTQLQIEISA-N 0 3 255.383 2.105 10 0 CEAEHN Cc1ccc(S(=O)(=O)CCNC(C)C)cc1C ZINC000071576815 176204758 /nfs/dbraw/zinc/20/47/58/176204758.db2.gz NMHWJROJMBIKRJ-UHFFFAOYSA-N 0 3 255.383 2.075 10 0 CEAEHN CN(CCc1ccncc1)c1cccc(F)c1CN ZINC000071585374 176210937 /nfs/dbraw/zinc/21/09/37/176210937.db2.gz GIHKUGUNUJVFCD-UHFFFAOYSA-N 0 3 259.328 2.358 10 0 CEAEHN CN[C@H](C)C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000662741511 415951504 /nfs/dbraw/zinc/95/15/04/415951504.db2.gz MGUNVKGJKNHXLG-OCCSQVGLSA-N 0 3 252.402 2.413 10 0 CEAEHN CNCC(=O)N[C@H](C)c1ccc(OC(C)C)c(C)c1 ZINC000076368878 177005657 /nfs/dbraw/zinc/00/56/57/177005657.db2.gz KDTUEJPPICCPOD-GFCCVEGCSA-N 0 3 264.369 2.179 10 0 CEAEHN COc1cc2c(cc1OC)[C@H](CN1CCCCC1)NCC2 ZINC000076533559 177034852 /nfs/dbraw/zinc/03/48/52/177034852.db2.gz VXCJSPPSJYLWMN-HNNXBMFYSA-N 0 3 290.407 2.377 10 0 CEAEHN CC(C)Oc1ccc(CN(C(=O)CN)C(C)C)cc1 ZINC000076680156 177058077 /nfs/dbraw/zinc/05/80/77/177058077.db2.gz SNLNKAZTSBSODK-UHFFFAOYSA-N 0 3 264.369 2.170 10 0 CEAEHN CN[C@@H](C)c1cn2cc(Br)ccc2n1 ZINC000076790306 177096155 /nfs/dbraw/zinc/09/61/55/177096155.db2.gz XKQOKPVLQMWQHZ-ZETCQYMHSA-N 0 3 254.131 2.377 10 0 CEAEHN C[C@@H](CN1CCCCC1)C(=O)c1ccc(CO)cc1 ZINC000077293512 177250333 /nfs/dbraw/zinc/25/03/33/177250333.db2.gz MBFHFUBFALKDKH-ZDUSSCGKSA-N 0 3 261.365 2.484 10 0 in-vitro CEAEHN CN(Cc1ccc2c(c1)OCO2)C[C@H](O)COC(C)(C)C ZINC000078379199 177335627 /nfs/dbraw/zinc/33/56/27/177335627.db2.gz HDNWZQAPZNUHHK-ZDUSSCGKSA-N 0 3 295.379 2.023 10 0 CEAEHN CCc1nc(NC(=O)N2CC[C@@H](N(C)C)C2)sc1C ZINC000174357122 260040134 /nfs/dbraw/zinc/04/01/34/260040134.db2.gz GNPQYXZPMPACIT-SNVBAGLBSA-N 0 3 282.413 2.182 10 0 CEAEHN CC(C)(C)OC(=O)NCC(C)(C)NCc1ccncc1 ZINC000221049287 260144877 /nfs/dbraw/zinc/14/48/77/260144877.db2.gz RWIYEGUBCIPJGW-UHFFFAOYSA-N 0 3 279.384 2.475 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000187052258 270253404 /nfs/dbraw/zinc/25/34/04/270253404.db2.gz IXFNURBFQSVRBH-KGLIPLIRSA-N 0 3 299.459 2.220 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCCc3occc32)C1 ZINC000194150383 270293569 /nfs/dbraw/zinc/29/35/69/270293569.db2.gz PENGKYVEEHZFTF-GXTWGEPZSA-N 0 3 291.395 2.441 10 0 CEAEHN Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C)n1 ZINC000194755886 270303245 /nfs/dbraw/zinc/30/32/45/270303245.db2.gz HZUURZDNVVZSAO-GJZGRUSLSA-N 0 3 294.443 2.153 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000247244119 287776401 /nfs/dbraw/zinc/77/64/01/287776401.db2.gz NGAYVMAQAZMBOF-RQJABVFESA-N 0 3 267.417 2.157 10 0 CEAEHN CC(C)[C@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000037508599 275702909 /nfs/dbraw/zinc/70/29/09/275702909.db2.gz AJJFNBIOYIYDEF-LBPRGKRZSA-N 0 3 264.325 2.116 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000263531962 276315250 /nfs/dbraw/zinc/31/52/50/276315250.db2.gz WYLFBCNYGDEDSF-FJBKBRRZSA-N 0 3 294.439 2.482 10 0 CEAEHN CCOCCN1CCN(C[C@@H]2CCC(C)(C)O2)C[C@H]1CC ZINC000186971634 276322548 /nfs/dbraw/zinc/32/25/48/276322548.db2.gz AQJGJZRWWGZGEF-CVEARBPZSA-N 0 3 298.471 2.377 10 0 CEAEHN CN1CCC(NC(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000336322998 277029932 /nfs/dbraw/zinc/02/99/32/277029932.db2.gz RSVLHGCAARTIBA-ZDUSSCGKSA-N 0 3 265.401 2.103 10 0 CEAEHN COCCN(C)CCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183602039 277213704 /nfs/dbraw/zinc/21/37/04/277213704.db2.gz JVEZMRJUGRRVMG-KGLIPLIRSA-N 0 3 284.444 2.143 10 0 CEAEHN CC(C)CC1(CNC(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000127562573 277348414 /nfs/dbraw/zinc/34/84/14/277348414.db2.gz SZIJHANGGHFCJW-CYBMUJFWSA-N 0 3 267.417 2.158 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@@H](C)[C@H]1C ZINC000246679122 279125049 /nfs/dbraw/zinc/12/50/49/279125049.db2.gz DDDGOKCTWUMSTQ-MGPQQGTHSA-N 0 3 269.433 2.403 10 0 CEAEHN C[C@H](N[C@H]1CCO[C@@H]1C)c1nc2ccccc2n1C ZINC000134239403 279544806 /nfs/dbraw/zinc/54/48/06/279544806.db2.gz FHNXAELKQXDSMM-TUAOUCFPSA-N 0 3 259.353 2.401 10 0 CEAEHN NC1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000037616675 279615148 /nfs/dbraw/zinc/61/51/48/279615148.db2.gz CPIJHHYXXUEDJR-VHSXEESVSA-N 0 3 278.318 2.495 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cncc(C)c1 ZINC000134501193 280023987 /nfs/dbraw/zinc/02/39/87/280023987.db2.gz SEUNMDMYICHHQC-OAHLLOKOSA-N 0 3 290.411 2.016 10 0 CEAEHN CCOc1cccnc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000137110066 280066208 /nfs/dbraw/zinc/06/62/08/280066208.db2.gz WSVFBRIWODYQTH-ZDUSSCGKSA-N 0 3 293.411 2.186 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000245678854 280255640 /nfs/dbraw/zinc/25/56/40/280255640.db2.gz GFBHZXQRXCRIQB-KKUMJFAQSA-N 0 3 279.428 2.445 10 0 CEAEHN CCc1cc(C)c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)o1 ZINC000246261712 280284051 /nfs/dbraw/zinc/28/40/51/280284051.db2.gz JPMWJEJNJPHWPC-CHWSQXEVSA-N 0 3 276.380 2.459 10 0 CEAEHN CN(C)C[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000246485511 280296775 /nfs/dbraw/zinc/29/67/75/280296775.db2.gz LSIZZGHOSIJEFI-JYJNAYRXSA-N 0 3 272.392 2.452 10 0 CEAEHN CC[C@H]1CN(Cc2sc(C)nc2C)CCN1C[C@H](C)O ZINC000246631602 280304324 /nfs/dbraw/zinc/30/43/24/280304324.db2.gz HTTZCEJBZSYIHG-FZMZJTMJSA-N 0 3 297.468 2.037 10 0 CEAEHN CCc1cccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000249298296 280392324 /nfs/dbraw/zinc/39/23/24/280392324.db2.gz NGXZBYYIYUJZTE-LSDHHAIUSA-N 0 3 276.424 2.136 10 0 CEAEHN Cc1ccc2nccc(NC[C@@H]3CN(C)CCO3)c2c1 ZINC000185561467 281171677 /nfs/dbraw/zinc/17/16/77/281171677.db2.gz IGHWSBDICWJOII-CYBMUJFWSA-N 0 3 271.364 2.286 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(C)nc2C)C1 ZINC000152333419 289086093 /nfs/dbraw/zinc/08/60/93/289086093.db2.gz UZFCSQZYCZWLNQ-CYBMUJFWSA-N 0 3 276.384 2.304 10 0 CEAEHN CC(C)CSCCCN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000152599669 289093412 /nfs/dbraw/zinc/09/34/12/289093412.db2.gz GHHBWMIXPHWHPF-LSDHHAIUSA-N 0 3 288.501 2.153 10 0 CEAEHN COCCN1CCN(CCCSCC(C)C)C[C@@H]1C ZINC000152609460 289094222 /nfs/dbraw/zinc/09/42/22/289094222.db2.gz JRAOOFMCDPODCF-HNNXBMFYSA-N 0 3 288.501 2.418 10 0 CEAEHN CCC[C@H](C(=O)NCC1(CCOC)CCC1)N(C)C ZINC000154843447 289155975 /nfs/dbraw/zinc/15/59/75/289155975.db2.gz IAEFWCQAOUMBPF-CYBMUJFWSA-N 0 3 270.417 2.040 10 0 CEAEHN CCC[C@@H]1C[C@H]1NCc1ccc(S(C)(=O)=O)cc1 ZINC000305115780 289271151 /nfs/dbraw/zinc/27/11/51/289271151.db2.gz LJMFQFUOEJYURX-TZMCWYRMSA-N 0 3 267.394 2.368 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC000175980521 289314606 /nfs/dbraw/zinc/31/46/06/289314606.db2.gz GCZOFRBUPJOCJB-UWWQBHOKSA-N 0 3 284.403 2.053 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2c(F)cccc2F)C1 ZINC000171069476 297474184 /nfs/dbraw/zinc/47/41/84/297474184.db2.gz OCAWRECLRRZMFD-SECBINFHSA-N 0 3 269.295 2.133 10 0 CEAEHN CCN1CCC[C@H](NCc2ccncc2Cl)C1 ZINC000527644160 313190684 /nfs/dbraw/zinc/19/06/84/313190684.db2.gz FZAZGUAHKPKMLW-LBPRGKRZSA-N 0 3 253.777 2.309 10 0 CEAEHN CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([O-])cc1 ZINC000049560334 519340850 /nfs/dbraw/zinc/34/08/50/519340850.db2.gz VYHDNZGJFRDAQE-CYBMUJFWSA-N 0 3 264.369 2.098 10 0 CEAEHN CC(C)CN1CCN([C@@H]2CCCCCC[C@H]2O)CC1 ZINC000055080997 519727578 /nfs/dbraw/zinc/72/75/78/519727578.db2.gz PNXUVASBSLOFQF-HZPDHXFCSA-N 0 3 268.445 2.344 10 0 CEAEHN CCC1CCC([N@H+](C)CC[C@@H](NC2CC2)C(=O)[O-])CC1 ZINC000062525984 519853419 /nfs/dbraw/zinc/85/34/19/519853419.db2.gz PSJQBMSGFOKDOB-PESDSKBTSA-N 0 3 282.428 2.482 10 0 CEAEHN CCC1CCC([N@@H+](C)CC[C@@H](NC2CC2)C(=O)[O-])CC1 ZINC000062525984 519853420 /nfs/dbraw/zinc/85/34/20/519853420.db2.gz PSJQBMSGFOKDOB-PESDSKBTSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCNCc1cc(CN(CCOC)[C@@H](C)CC)on1 ZINC000052547323 519945344 /nfs/dbraw/zinc/94/53/44/519945344.db2.gz WSCVNMRJRYFBNE-ZDUSSCGKSA-N 0 3 283.416 2.421 10 0 CEAEHN CCCN[C@@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451255 519993622 /nfs/dbraw/zinc/99/36/22/519993622.db2.gz NAFJABAJMHGODM-AWEZNQCLSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@@H](CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451255 519993627 /nfs/dbraw/zinc/99/36/27/519993627.db2.gz NAFJABAJMHGODM-AWEZNQCLSA-N 0 3 270.417 2.484 10 0 CEAEHN CCC[NH2+][C@@H](CCN(C)C1CCCCCC1)C(=O)[O-] ZINC000062451255 519993630 /nfs/dbraw/zinc/99/36/30/519993630.db2.gz NAFJABAJMHGODM-AWEZNQCLSA-N 0 3 270.417 2.484 10 0 CEAEHN CCNCc1nc(CN(CCOC)[C@@H](C)CC)cs1 ZINC000052547168 520020738 /nfs/dbraw/zinc/02/07/38/520020738.db2.gz XXWBBTXZTFGQCO-LBPRGKRZSA-N 0 3 285.457 2.500 10 0 CEAEHN CCCN[C@](C)(CCOc1c(C)cccc1C)C(N)=O ZINC000045509295 520106741 /nfs/dbraw/zinc/10/67/41/520106741.db2.gz MFBPUIBXGPMREM-MRXNPFEDSA-N 0 3 278.396 2.316 10 0 CEAEHN CCN[C@H](CC)[C@H](C)S(=O)(=O)c1ccccc1 ZINC000061702873 520184752 /nfs/dbraw/zinc/18/47/52/520184752.db2.gz AOOCPHTWYARREL-WCQYABFASA-N 0 3 255.383 2.237 10 0 CEAEHN CCN[C@H](CCOc1ccc(C(C)C)c(C)c1)C(N)=O ZINC000062548861 520191265 /nfs/dbraw/zinc/19/12/65/520191265.db2.gz RWAAKGQBUFCQBL-OAHLLOKOSA-N 0 3 278.396 2.351 10 0 CEAEHN CCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702653 520213465 /nfs/dbraw/zinc/21/34/65/520213465.db2.gz KTUAHBHUMDULOT-UONOGXRCSA-N 0 3 267.394 2.381 10 0 CEAEHN CCO[C@@H]1CCCN(Cc2cc(CN)oc2C)C1 ZINC000052372229 520318991 /nfs/dbraw/zinc/31/89/91/520318991.db2.gz AYSLZTGOFDQCPA-CYBMUJFWSA-N 0 3 252.358 2.048 10 0 CEAEHN CCOC(=O)[C@@H](CCN1CCC(C)CC1)NC(C)C ZINC000062439772 521058120 /nfs/dbraw/zinc/05/81/20/521058120.db2.gz VPEGEGLJPIWJAJ-CQSZACIVSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCc1nc(N(C)[C@H]2CCSC2)sc1CN ZINC000054996979 521528857 /nfs/dbraw/zinc/52/88/57/521528857.db2.gz AQSURAOHUNKWBI-VIFPVBQESA-N 0 3 271.455 2.496 10 0 CEAEHN CCCc1nc(N(CC)[C@@H](C)COC)sc1CN ZINC000054998669 521531067 /nfs/dbraw/zinc/53/10/67/521531067.db2.gz OIPWCLDOFIMEMW-JTQLQIEISA-N 0 3 271.430 2.416 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CC(=O)c1ccccc1F ZINC000061645638 521837123 /nfs/dbraw/zinc/83/71/23/521837123.db2.gz WTNWSDXJRVFGRM-LBPRGKRZSA-N 0 3 264.344 2.034 10 0 CEAEHN CN[C@@H](C)c1cnc(N2CCCSCC2)s1 ZINC000054909480 522336853 /nfs/dbraw/zinc/33/68/53/522336853.db2.gz UKOMALUOYIYKDS-VIFPVBQESA-N 0 3 257.428 2.367 10 0 CEAEHN CN[C@@](CS[C@H]1CCC[C@@H](C)C1)(C(N)=O)C1CC1 ZINC000069189610 522432904 /nfs/dbraw/zinc/43/29/04/522432904.db2.gz WBUDTNWFZJVPTR-SCDSUCTJSA-N 0 3 270.442 2.152 10 0 CEAEHN C[C@H](NCCn1cncn1)c1ccc(Cl)s1 ZINC000167006508 533876190 /nfs/dbraw/zinc/87/61/90/533876190.db2.gz UOCBJOKQDOYIDN-QMMMGPOBSA-N 0 3 256.762 2.344 10 0 CEAEHN Cc1ccc([C@H](N)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000051392371 518189799 /nfs/dbraw/zinc/18/97/99/518189799.db2.gz FHJTUFNNYAUKCZ-INIZCTEOSA-N 0 3 281.359 2.234 10 0 CEAEHN CC(C)CN1CCN(C[C@@H]2C[C@@H](C)CCC2=O)CC1 ZINC000055081608 519726370 /nfs/dbraw/zinc/72/63/70/519726370.db2.gz PHYGCXVZMCNKFS-GJZGRUSLSA-N 0 3 266.429 2.265 10 0 CEAEHN CC(C)CN[C@@H](C(N)=O)c1cccc2cccnc21 ZINC000069503103 519749385 /nfs/dbraw/zinc/74/93/85/519749385.db2.gz SMDVGNGHNJVLHB-CQSZACIVSA-N 0 3 257.337 2.007 10 0 CEAEHN CC(C)[C@H]1CCC(=O)[C@@H](CN(CCO)C2CC2)C1 ZINC000054559350 519824337 /nfs/dbraw/zinc/82/43/37/519824337.db2.gz FLBZEYIXOXGGKN-QWHCGFSZSA-N 0 3 253.386 2.085 10 0 CEAEHN CCCN1CCN(Cc2ccc(NCC)nc2)CC1 ZINC000050792102 519859157 /nfs/dbraw/zinc/85/91/57/519859157.db2.gz HGAVRNIPDOKNFH-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CCCN1CCN([C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054558122 519859443 /nfs/dbraw/zinc/85/94/43/519859443.db2.gz QOHPMNYDPXIIHD-OAGGEKHMSA-N 0 3 268.445 2.200 10 0 CEAEHN CCCC1CCN(C[C@](C)(NC(C)C)C(=O)OC)CC1 ZINC000050905674 519902132 /nfs/dbraw/zinc/90/21/32/519902132.db2.gz VUOCNSYGWSYDNL-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCC1CCN(C[C@@](C)(NCC)C(=O)OC)CC1 ZINC000050905653 519902264 /nfs/dbraw/zinc/90/22/64/519902264.db2.gz OGVBSJSNYADUMF-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000061290510 519908450 /nfs/dbraw/zinc/90/84/50/519908450.db2.gz DYTARDJPWZMQRC-UHFFFAOYSA-N 0 3 288.351 2.372 10 0 CEAEHN CCCNCc1nc(CN(CC)[C@@H](C)COC)cs1 ZINC000052504651 519965067 /nfs/dbraw/zinc/96/50/67/519965067.db2.gz BGMTYMMIOFMKTO-LBPRGKRZSA-N 0 3 285.457 2.500 10 0 CEAEHN CCNCc1nccn1Cc1cccc(F)c1F ZINC000051004813 520023387 /nfs/dbraw/zinc/02/33/87/520023387.db2.gz RRQCDSCOZZPDHP-UHFFFAOYSA-N 0 3 251.280 2.319 10 0 CEAEHN CCCN[C@@](COc1c(C)cccc1C)(C(N)=O)C1CC1 ZINC000069196921 520057663 /nfs/dbraw/zinc/05/76/63/520057663.db2.gz JOEUZNXEUUYUCV-QGZVFWFLSA-N 0 3 290.407 2.316 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2CCC(OC)CC2)s1 ZINC000054903188 520079987 /nfs/dbraw/zinc/07/99/87/520079987.db2.gz ZDJXDVKNEDZNJM-JTQLQIEISA-N 0 3 269.414 2.429 10 0 CEAEHN CCCN[C@H]1COc2cc(OCc3noc(C)n3)ccc21 ZINC000062805056 520097911 /nfs/dbraw/zinc/09/79/11/520097911.db2.gz RWNYMGOHLJKSIQ-ZDUSSCGKSA-N 0 3 289.335 2.390 10 0 CEAEHN CCN[C@@H](c1ccccc1)[C@H](C(C)C)S(C)(=O)=O ZINC000054930406 520114799 /nfs/dbraw/zinc/11/47/99/520114799.db2.gz QHGXJOTVFNATKR-KBPBESRZSA-N 0 3 269.410 2.406 10 0 CEAEHN CCN[C@@H]1COc2cc(OCCCOC)ccc21 ZINC000062804949 520124501 /nfs/dbraw/zinc/12/45/01/520124501.db2.gz AZLGBOZSLNWBHH-CYBMUJFWSA-N 0 3 251.326 2.145 10 0 CEAEHN CCN[C@@H]1COc2cc(O[C@H]3CCC[C@@H]3O)ccc21 ZINC000062804753 520125634 /nfs/dbraw/zinc/12/56/34/520125634.db2.gz XJLAGLHXBIFNOC-RDBSUJKOSA-N 0 3 263.337 2.022 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1ccc(C)c(C)c1)C(N)=O ZINC000068656040 520141445 /nfs/dbraw/zinc/14/14/45/520141445.db2.gz RSIZTTYVEHAWSN-CJNGLKHVSA-N 0 3 278.396 2.314 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1ccc2c(c1)CCC2)C(N)=O ZINC000068654503 520142878 /nfs/dbraw/zinc/14/28/78/520142878.db2.gz JZYJPYUZKXMOJR-PXAZEXFGSA-N 0 3 290.407 2.186 10 0 CEAEHN CCN[C@H](COc1ccc(C(C)(C)CC)cc1)C(N)=O ZINC000045515161 520201012 /nfs/dbraw/zinc/20/10/12/520201012.db2.gz LTKQAORCJARVNR-CQSZACIVSA-N 0 3 278.396 2.216 10 0 CEAEHN CCN[C@H](Cn1ncccc1=O)c1ccc(C)cc1C ZINC000061402093 520206628 /nfs/dbraw/zinc/20/66/28/520206628.db2.gz NPHLVJVBAPXFBF-OAHLLOKOSA-N 0 3 271.364 2.211 10 0 CEAEHN CCN[C@H](c1ccc(OC)c(Cl)c1)[C@H]1COCCO1 ZINC000055299869 520208468 /nfs/dbraw/zinc/20/84/68/520208468.db2.gz LZTFCGIDLGTXPF-ZIAGYGMSSA-N 0 3 285.771 2.415 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1ccccc1OCC)C(N)=O ZINC000068655391 520237812 /nfs/dbraw/zinc/23/78/12/520237812.db2.gz HVMKCLHPHXUZKQ-MLGOLLRUSA-N 0 3 294.395 2.096 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1ccc(CC)cc1)C(N)=O ZINC000068655640 520240139 /nfs/dbraw/zinc/24/01/39/520240139.db2.gz QZDHWDAQSUIGPJ-BLLLJJGKSA-N 0 3 278.396 2.260 10 0 CEAEHN CCN[C@](CN(CC)c1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069231309 520247429 /nfs/dbraw/zinc/24/74/29/520247429.db2.gz XRPPLUUFSSPKQA-KRWDZBQOSA-N 0 3 289.423 2.065 10 0 CEAEHN CCCOc1ccc([C@@H](N)Cn2nc(C)ccc2=O)cc1 ZINC000061810415 520418086 /nfs/dbraw/zinc/41/80/86/520418086.db2.gz VJCRVTFTWOKXKY-HNNXBMFYSA-N 0 3 287.363 2.041 10 0 CEAEHN CCCOc1cccc([C@H](N[C@@H](C)CC)C(N)=O)c1 ZINC000052921487 520469540 /nfs/dbraw/zinc/46/95/40/520469540.db2.gz KVFJVCHQBLBFTH-FZMZJTMJSA-N 0 3 264.369 2.390 10 0 CEAEHN CCN(CC)C(=O)[C@@H](CN)Cc1ccc(F)cc1C ZINC000050568827 520523221 /nfs/dbraw/zinc/52/32/21/520523221.db2.gz OIBABMJQUPJFAD-CYBMUJFWSA-N 0 3 266.360 2.120 10 0 CEAEHN CCC[C@@](C)(N)C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531966 520921213 /nfs/dbraw/zinc/92/12/13/520921213.db2.gz BYZJIVIPWNCPQH-CQSZACIVSA-N 0 3 250.342 2.460 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1CN ZINC000049954659 521032454 /nfs/dbraw/zinc/03/24/54/521032454.db2.gz CDKGYBYTGLPQAR-MRVPVSSYSA-N 0 3 257.717 2.129 10 0 CEAEHN CCCC[C@H](N)C(=O)Nc1ccc(OC)c(C)c1 ZINC000049532037 521214168 /nfs/dbraw/zinc/21/41/68/521214168.db2.gz HJJJXGSLNADROZ-LBPRGKRZSA-N 0 3 250.342 2.460 10 0 CEAEHN CCOC(=O)[C@](C)(CCCN1Cc2ccccc2C1)NC ZINC000050912266 521319086 /nfs/dbraw/zinc/31/90/86/521319086.db2.gz CWUKWXKEFOXLRR-KRWDZBQOSA-N 0 3 290.407 2.324 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2cccc3c2NCCC3)C1 ZINC000050957961 521624135 /nfs/dbraw/zinc/62/41/35/521624135.db2.gz IQDCQXLJLCKIQP-CQSZACIVSA-N 0 3 287.407 2.259 10 0 CEAEHN CCN1CCN([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024539 521692255 /nfs/dbraw/zinc/69/22/55/521692255.db2.gz YTYBFYRZLBOEST-AWEZNQCLSA-N 0 3 277.437 2.041 10 0 CEAEHN CCSc1ccc(C(=O)N[C@H]2CCCN(CC)C2)cn1 ZINC000069392289 521735247 /nfs/dbraw/zinc/73/52/47/521735247.db2.gz ZJEYJEWWDSIVHG-ZDUSSCGKSA-N 0 3 293.436 2.408 10 0 CEAEHN CCNC(=O)CCOc1cc(F)ccc1[C@@H](C)NC ZINC000062746278 521735904 /nfs/dbraw/zinc/73/59/04/521735904.db2.gz DXBJCYWHYAISSA-SNVBAGLBSA-N 0 3 268.332 2.011 10 0 CEAEHN CN(C)CCNC(=O)[C@H](Cc1ccncc1)c1ccccc1 ZINC000062065754 521782142 /nfs/dbraw/zinc/78/21/42/521782142.db2.gz OELBOONJJGIXMP-QGZVFWFLSA-N 0 3 297.402 2.086 10 0 CEAEHN COCC[C@@H](N)c1nc2cc(Br)ccc2n1C ZINC000052785247 521831213 /nfs/dbraw/zinc/83/12/13/521831213.db2.gz DYTNSOHWQJRQTK-SECBINFHSA-N 0 3 298.184 2.372 10 0 CEAEHN COC(=O)c1cc(CN[C@H](CN(C)C)C(C)C)oc1C ZINC000049198840 521859763 /nfs/dbraw/zinc/85/97/63/521859763.db2.gz UCZHSSIYIWICOR-CQSZACIVSA-N 0 3 282.384 2.050 10 0 CEAEHN CNCCS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000051040600 522013178 /nfs/dbraw/zinc/01/31/78/522013178.db2.gz WLGCRCYCEJMYLB-UHFFFAOYSA-N 0 3 290.388 2.315 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2cccc(C(N)=S)c2)CC1 ZINC000055066718 522127190 /nfs/dbraw/zinc/12/71/90/522127190.db2.gz CVNOWEFFCJSRNB-CYBMUJFWSA-N 0 3 291.464 2.237 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)N1CCCC1 ZINC000062746466 522332874 /nfs/dbraw/zinc/33/28/74/522332874.db2.gz POUBMJWCMNWKRL-RYUDHWBXSA-N 0 3 294.370 2.496 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@H]1CCCCNC1=O ZINC000062746626 522333538 /nfs/dbraw/zinc/33/35/38/522333538.db2.gz WGZIWOPPRQZDPF-GWCFXTLKSA-N 0 3 280.343 2.154 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1ccc(OC)c(F)c1)C(F)(F)F ZINC000062784661 522346442 /nfs/dbraw/zinc/34/64/42/522346442.db2.gz HDZCWOABXGQJPY-WDEREUQCSA-N 0 3 281.249 2.322 10 0 CEAEHN CN[C@@H](c1ccccc1)[C@H](C(C)C)S(C)(=O)=O ZINC000054930244 522372702 /nfs/dbraw/zinc/37/27/02/522372702.db2.gz XMWMVJZOKXMZMV-STQMWFEESA-N 0 3 255.383 2.016 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1nnc(C)n1C ZINC000062746546 522446192 /nfs/dbraw/zinc/44/61/92/522446192.db2.gz LVPKWBPADYDSHL-SECBINFHSA-N 0 3 278.331 2.122 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC1CC1 ZINC000062746503 522448019 /nfs/dbraw/zinc/44/80/19/522448019.db2.gz KIVVYXBSMJTCPF-ZJUUUORDSA-N 0 3 280.343 2.152 10 0 CEAEHN CN[C@H](Cc1csc(C)n1)c1cncc(F)c1 ZINC000055295078 522474896 /nfs/dbraw/zinc/47/48/96/522474896.db2.gz OYAIESHGZCCVOP-GFCCVEGCSA-N 0 3 251.330 2.489 10 0 CEAEHN CN[C@H](c1ccccc1)[C@@H](C(C)C)S(C)(=O)=O ZINC000054930243 522485834 /nfs/dbraw/zinc/48/58/34/522485834.db2.gz XMWMVJZOKXMZMV-CHWSQXEVSA-N 0 3 255.383 2.016 10 0 CEAEHN CN[C@](C)(C[C@H](C)Oc1cccc2ccccc21)C(N)=O ZINC000068656751 522523969 /nfs/dbraw/zinc/52/39/69/522523969.db2.gz WALWPZMJMJDTFP-YVEFUNNKSA-N 0 3 286.375 2.461 10 0 CEAEHN COC1CCN(c2nc(C)c(CNC3CC3)s2)CC1 ZINC000054997124 522709120 /nfs/dbraw/zinc/70/91/20/522709120.db2.gz BCXDUSCIGOTGBU-UHFFFAOYSA-N 0 3 281.425 2.319 10 0 CEAEHN CC[C@@H](NC(=O)[C@](C)(N)C1CC1)c1cccs1 ZINC000049532199 522771489 /nfs/dbraw/zinc/77/14/89/522771489.db2.gz IKNNULBUPGYKGB-ZWNOBZJWSA-N 0 3 252.383 2.443 10 0 CEAEHN CC[C@@H](NCc1cccc(C(F)(F)F)c1)C(N)=O ZINC000061676355 522880437 /nfs/dbraw/zinc/88/04/37/522880437.db2.gz XZCFNKVHPHCZKU-SNVBAGLBSA-N 0 3 260.259 2.059 10 0 CEAEHN CC[C@H]1CCCC[C@H]1NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631389 523061144 /nfs/dbraw/zinc/06/11/44/523061144.db2.gz VKRRITNLAGWQFA-MELADBBJSA-N 0 3 288.457 2.017 10 0 CEAEHN CC[C@@H]1CCCC[C@H]1OC[C@](NC1CC1)(C(N)=O)C1CC1 ZINC000069195867 523227626 /nfs/dbraw/zinc/22/76/26/523227626.db2.gz AGRJNYZTHTYFJQ-SRCQZFHVSA-N 0 3 294.439 2.358 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2ccc3ncccc3c2)CCO1 ZINC000069502486 523300673 /nfs/dbraw/zinc/30/06/73/523300673.db2.gz OYBARVPNVZYEQT-RDJZCZTQSA-N 0 3 285.391 2.345 10 0 CEAEHN CC[C@H]1COCCN1c1c(CNC(C)(C)C)c(C)nn1C ZINC000062736308 523338437 /nfs/dbraw/zinc/33/84/37/523338437.db2.gz ARLLAYOTZGFCAJ-ZDUSSCGKSA-N 0 3 294.443 2.232 10 0 CEAEHN CCn1cc(Cn2ccnc2CNC(C)(C)C)cn1 ZINC000051015421 523400456 /nfs/dbraw/zinc/40/04/56/523400456.db2.gz ALTBOPQEQPFSFU-UHFFFAOYSA-N 0 3 261.373 2.036 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710107 523501751 /nfs/dbraw/zinc/50/17/51/523501751.db2.gz YHGRMMKCOBDLKC-MFKMUULPSA-N 0 3 288.313 2.215 10 0 CEAEHN CN([C@H](CN)c1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000062710104 523626107 /nfs/dbraw/zinc/62/61/07/523626107.db2.gz PAKRJQHDOLRIBY-CYBMUJFWSA-N 0 3 288.313 2.215 10 0 CEAEHN COCCN(CC(C)C)[C@H]1CNCc2ccccc21 ZINC000069266371 523682099 /nfs/dbraw/zinc/68/20/99/523682099.db2.gz XKPHBVNXLUZLDD-INIZCTEOSA-N 0 3 262.397 2.435 10 0 CEAEHN CN1C(=O)CCC[C@H](N)[C@H]1c1cccc(Cl)c1 ZINC000070292053 523682596 /nfs/dbraw/zinc/68/25/96/523682596.db2.gz YWMTYBHKCXZNQY-WCQYABFASA-N 0 3 252.745 2.351 10 0 CEAEHN COCCN(Cc1ccoc1CNC(C)C)[C@H](C)COC ZINC000052572351 523771150 /nfs/dbraw/zinc/77/11/50/523771150.db2.gz RNOVSTURMPAPLO-CQSZACIVSA-N 0 3 298.427 2.261 10 0 CEAEHN COCCNCc1sc(N2CCCC2)nc1C1CC1 ZINC000069146616 523958732 /nfs/dbraw/zinc/95/87/32/523958732.db2.gz KENJIBPVOVVXCC-UHFFFAOYSA-N 0 3 281.425 2.357 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(F)cc2CO)CC1 ZINC000055067972 523960608 /nfs/dbraw/zinc/96/06/08/523960608.db2.gz DABGEEHYXFKNFE-LBPRGKRZSA-N 0 3 266.360 2.239 10 0 CEAEHN CCc1ccc([C@@H](CN)N(C)Cc2cscn2)o1 ZINC000051725951 524028051 /nfs/dbraw/zinc/02/80/51/524028051.db2.gz UEASJIRRJVHXEY-GFCCVEGCSA-N 0 3 265.382 2.430 10 0 CEAEHN CCc1ccc([C@@H](CN)N2CCN([C@H](C)CC)CC2)o1 ZINC000055064343 524028812 /nfs/dbraw/zinc/02/88/12/524028812.db2.gz YFAGYFKYJUKQLV-UKRRQHHQSA-N 0 3 279.428 2.258 10 0 CEAEHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1OC ZINC000062670508 524043764 /nfs/dbraw/zinc/04/37/64/524043764.db2.gz IVZHSRDZXGXTKY-PBWFPOADSA-N 0 3 277.364 2.192 10 0 CEAEHN CNC(=O)CCCOc1cc(F)ccc1[C@@H](C)NC ZINC000068816945 524065375 /nfs/dbraw/zinc/06/53/75/524065375.db2.gz ARVKHYQWKQCOCH-SNVBAGLBSA-N 0 3 268.332 2.011 10 0 CEAEHN C[C@H]1CCC[C@@H](SCC(=O)N2CCCNCC2)C1 ZINC000054694793 524154058 /nfs/dbraw/zinc/15/40/58/524154058.db2.gz PICLYFKGQGUQOH-QWHCGFSZSA-N 0 3 270.442 2.120 10 0 CEAEHN C[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@H](NC1CC1)C(=O)[O-] ZINC000062522675 524162995 /nfs/dbraw/zinc/16/29/95/524162995.db2.gz SFZGFPQQPHZODJ-KWCYVHTRSA-N 0 3 268.401 2.092 10 0 CEAEHN C[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@H](NC1CC1)C(=O)[O-] ZINC000062522675 524163001 /nfs/dbraw/zinc/16/30/01/524163001.db2.gz SFZGFPQQPHZODJ-KWCYVHTRSA-N 0 3 268.401 2.092 10 0 CEAEHN C[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051096537 524170458 /nfs/dbraw/zinc/17/04/58/524170458.db2.gz BZUYAZYQCXOIIE-LDYMZIIASA-N 0 3 282.775 2.329 10 0 CEAEHN COc1ccc(Cn2cc(CN)cn2)cc1Br ZINC000054716821 524260181 /nfs/dbraw/zinc/26/01/81/524260181.db2.gz YZKYNKOARNZNDH-UHFFFAOYSA-N 0 3 296.168 2.161 10 0 CEAEHN Cc1cccc(C)c1OC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069196926 524321813 /nfs/dbraw/zinc/32/18/13/524321813.db2.gz HNIXVTLPBSXLIC-QGZVFWFLSA-N 0 3 290.407 2.314 10 0 CEAEHN Cc1ccc(CN)cc1N1C(=O)c2ccccc2C1=O ZINC000050430514 524423957 /nfs/dbraw/zinc/42/39/57/524423957.db2.gz UIDDNSUEDPCLTB-UHFFFAOYSA-N 0 3 266.300 2.254 10 0 CEAEHN C[C@H](CN[C@H](C)c1ccc(Br)cc1)C(N)=O ZINC000049525855 524501448 /nfs/dbraw/zinc/50/14/48/524501448.db2.gz BPCPXKPKJSLVIJ-RKDXNWHRSA-N 0 3 285.185 2.221 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(F)c(F)cc1N ZINC000050017936 524605998 /nfs/dbraw/zinc/60/59/98/524605998.db2.gz UAXDWINMIBMRKP-JTQLQIEISA-N 0 3 297.349 2.151 10 0 CEAEHN C[C@H](C[C@](C)(NC1CC1)C(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000068643192 524653530 /nfs/dbraw/zinc/65/35/30/524653530.db2.gz QFSFYMKUHDDYIY-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN Cc1cccc(OC[C@@](NC(C)C)(C(N)=O)C2CC2)c1C ZINC000069197081 524758970 /nfs/dbraw/zinc/75/89/70/524758970.db2.gz WJQQBKHCJFKJIL-KRWDZBQOSA-N 0 3 290.407 2.314 10 0 CEAEHN C[C@H]1C[C@H](C)CN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000061610890 524881122 /nfs/dbraw/zinc/88/11/22/524881122.db2.gz KVRBONJRHYXDFB-YDHLFZDLSA-N 0 3 260.381 2.233 10 0 CEAEHN COc1ccc(OCCCO)c(CNC(C)(C)C)c1 ZINC000062727580 524949564 /nfs/dbraw/zinc/94/95/64/524949564.db2.gz HVFNSTWIZVECIQ-UHFFFAOYSA-N 0 3 267.369 2.345 10 0 CEAEHN Cc1cccc2cc(-c3nc([C@@H]4CNCCN4C)no3)oc21 ZINC000263226127 524970111 /nfs/dbraw/zinc/97/01/11/524970111.db2.gz MTMFKVGPIIBNIP-LBPRGKRZSA-N 0 3 298.346 2.367 10 0 CEAEHN COc1ccc(O[C@@H]2CCOC2=O)c(CNC(C)(C)C)c1 ZINC000062727555 524984244 /nfs/dbraw/zinc/98/42/44/524984244.db2.gz NTARTQMEKRYJFR-CQSZACIVSA-N 0 3 293.363 2.278 10 0 CEAEHN COc1nc2sccn2c1CN[C@@H](CN(C)C)C(C)C ZINC000049198473 524991980 /nfs/dbraw/zinc/99/19/80/524991980.db2.gz MGOZJSBZBLYVFP-NSHDSACASA-N 0 3 296.440 2.080 10 0 CEAEHN C[C@@H]1CN(c2ccc(CNC(C)(C)C)nn2)CC(C)(C)O1 ZINC000051488759 525066526 /nfs/dbraw/zinc/06/65/26/525066526.db2.gz NQLXRLBWXIABRA-GFCCVEGCSA-N 0 3 292.427 2.368 10 0 CEAEHN C[C@@H]1CN(c2nc(C(C)(C)C)c(CN)s2)CCO1 ZINC000054995684 525072268 /nfs/dbraw/zinc/07/22/68/525072268.db2.gz IVCNLRZGJBCFRI-SECBINFHSA-N 0 3 269.414 2.124 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc2ccccc2n1 ZINC000069133406 525096900 /nfs/dbraw/zinc/09/69/00/525096900.db2.gz MPSNMOURJAVUMN-VXGBXAGGSA-N 0 3 269.348 2.057 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cccc(OC(F)F)c1 ZINC000069133105 525101180 /nfs/dbraw/zinc/10/11/80/525101180.db2.gz FDVBUDFVLORKKT-AOOOYVTPSA-N 0 3 284.306 2.110 10 0 CEAEHN C[C@@H]1COCCN1Cc1csc(CNC(C)(C)C)n1 ZINC000052475702 525126562 /nfs/dbraw/zinc/12/65/62/525126562.db2.gz GGEULOJJSXDTSI-LLVKDONJSA-N 0 3 283.441 2.252 10 0 CEAEHN Cc1ccccc1O[C@H](C)C[C@](C)(NC1CC1)C(N)=O ZINC000068656320 525324428 /nfs/dbraw/zinc/32/44/28/525324428.db2.gz GRGNGLZXZNKWCA-WBMJQRKESA-N 0 3 276.380 2.148 10 0 CEAEHN COc1ccc([C@H](O)[C@@H](N)c2ccccc2)cc1O ZINC000054682764 525379568 /nfs/dbraw/zinc/37/95/68/525379568.db2.gz DRWPUFZMFQRRSB-GJZGRUSLSA-N 0 3 259.305 2.134 10 0 CEAEHN Cc1nc[nH]c1CN[C@H](CN(C)C)c1ccccc1 ZINC000054794136 525462567 /nfs/dbraw/zinc/46/25/67/525462567.db2.gz LRVZJZGOQUETIJ-OAHLLOKOSA-N 0 3 258.369 2.111 10 0 CEAEHN CSCC[C@H](N)c1nc(-c2cccs2)n[nH]1 ZINC000054700160 525587494 /nfs/dbraw/zinc/58/74/94/525587494.db2.gz LRXIDGAFGDBWIN-ZETCQYMHSA-N 0 3 254.384 2.286 10 0 CEAEHN C[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000069141027 525635445 /nfs/dbraw/zinc/63/54/45/525635445.db2.gz LJUUQNZFWCVLQF-MLGOLLRUSA-N 0 3 293.432 2.403 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)c2c[nH]c(=NN)c(Cl)c2)o1 ZINC000051114696 525720006 /nfs/dbraw/zinc/72/00/06/525720006.db2.gz XPXMKDCEQPCPRU-MRVPVSSYSA-N 0 3 294.742 2.413 10 0 CEAEHN Cc1c(CNC(C)C)cnn1[C@@H]1CCCC[C@@H]1O ZINC000054600041 525721477 /nfs/dbraw/zinc/72/14/77/525721477.db2.gz ZIPBAGYRYJLWHA-KGLIPLIRSA-N 0 3 251.374 2.166 10 0 CEAEHN C[C@@](N)(c1cccc(Br)c1)c1cncnc1 ZINC000052887681 525752181 /nfs/dbraw/zinc/75/21/81/525752181.db2.gz ALZGNYIVQWOANF-GFCCVEGCSA-N 0 3 278.153 2.461 10 0 CEAEHN C[C@@](O)(CN)c1cc2cc(Br)ccc2o1 ZINC000055032528 525765911 /nfs/dbraw/zinc/76/59/11/525765911.db2.gz HXFPUIIFKYOSJR-LLVKDONJSA-N 0 3 270.126 2.362 10 0 CEAEHN Cc1ccsc1[C@@H](N)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392340 525873629 /nfs/dbraw/zinc/87/36/29/525873629.db2.gz GOABMWYSCJKADX-ZDUSSCGKSA-N 0 3 287.388 2.295 10 0 CEAEHN C[C@H](O)c1nc2cc(N)ccc2n1[C@@H]1CCN(C2CC2)C1 ZINC000053737142 525874807 /nfs/dbraw/zinc/87/48/07/525874807.db2.gz RNQYFZXNCITQFK-GXFFZTMASA-N 0 3 286.379 2.081 10 0 CEAEHN Cc1ccc(=O)n(C[C@@H](N)c2ccc(OC(C)C)cc2)n1 ZINC000061810421 525976306 /nfs/dbraw/zinc/97/63/06/525976306.db2.gz YDZKSJRSWYANMS-OAHLLOKOSA-N 0 3 287.363 2.039 10 0 CEAEHN Cc1ccc(C(=O)N2[C@@H](C)CNC[C@@H]2C)cc1Cl ZINC000069133347 526141903 /nfs/dbraw/zinc/14/19/03/526141903.db2.gz GNTRSQIIDCMIDA-QWRGUYRKSA-N 0 3 266.772 2.471 10 0 CEAEHN COc1cccc(OC)c1OCc1ccnc(CN)c1 ZINC000068751169 526223450 /nfs/dbraw/zinc/22/34/50/526223450.db2.gz RHWFGMDGLJGLIX-UHFFFAOYSA-N 0 3 274.320 2.137 10 0 CEAEHN Cc1ccc(C(C)C)cc1O[C@H](C)C[C@@](C)(N)C(N)=O ZINC000068650818 526250422 /nfs/dbraw/zinc/25/04/22/526250422.db2.gz FQGUYAIDHPHGJK-MLGOLLRUSA-N 0 3 278.396 2.479 10 0 CEAEHN Cc1nn([C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)c(C)c1Cl ZINC000068649810 526301760 /nfs/dbraw/zinc/30/17/60/526301760.db2.gz XZIACOKJQIOCPO-RMLUDKJBSA-N 0 3 298.818 2.100 10 0 CEAEHN Cc1nc(-c2cccnc2)nc(C)c1CNC1CC1 ZINC000054854382 526610306 /nfs/dbraw/zinc/61/03/06/526610306.db2.gz SFROBZRHVRZRKE-UHFFFAOYSA-N 0 3 254.337 2.407 10 0 CEAEHN Cc1oc(CN2CCN(c3ccccc3)CC2)cc1CN ZINC000052417311 526770607 /nfs/dbraw/zinc/77/06/07/526770607.db2.gz SANRTDUBUGRALG-UHFFFAOYSA-N 0 3 285.391 2.369 10 0 CEAEHN Cc1oc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1CN ZINC000052573113 526771620 /nfs/dbraw/zinc/77/16/20/526771620.db2.gz NLYNRUUFKMTBMV-LSDHHAIUSA-N 0 3 264.369 2.190 10 0 CEAEHN Cc1oc(CNC(C)C)cc1CN1CCO[C@H](C)C1 ZINC000052382712 526774913 /nfs/dbraw/zinc/77/49/13/526774913.db2.gz WLWLBDMUXBYENU-GFCCVEGCSA-N 0 3 266.385 2.307 10 0 CEAEHN O=C(CN1CC[C@H](N2CCCC2)C1)c1ccc(F)c(F)c1 ZINC000062981586 526806616 /nfs/dbraw/zinc/80/66/16/526806616.db2.gz LCZQNPAIIKGBOQ-ZDUSSCGKSA-N 0 3 294.345 2.318 10 0 CEAEHN O=C(CN1CC[C@H](N2CCCC2)C1)c1cc(F)ccc1F ZINC000062981556 526807957 /nfs/dbraw/zinc/80/79/57/526807957.db2.gz YGYFMQRJYGNJAV-ZDUSSCGKSA-N 0 3 294.345 2.318 10 0 CEAEHN O=S(=O)(C[C@@H]1CCC[NH2+]1)[N-]c1cccc2ccccc21 ZINC000049632402 527182758 /nfs/dbraw/zinc/18/27/58/527182758.db2.gz ZOACLOAJDIJBNX-ZDUSSCGKSA-N 0 3 290.388 2.334 10 0 CEAEHN NC[C@@H](Oc1cccc(F)c1F)c1ccncc1 ZINC000062612926 527206843 /nfs/dbraw/zinc/20/68/43/527206843.db2.gz BVMWKZGVHSMJQD-GFCCVEGCSA-N 0 3 250.248 2.439 10 0 CEAEHN NC[C@H](C(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000061611700 527225432 /nfs/dbraw/zinc/22/54/32/527225432.db2.gz SVMMTFATHOQCEE-NSHDSACASA-N 0 3 275.739 2.416 10 0 CEAEHN NCc1cc2c(nc1N1CCC[C@H]1CCCO)CCCC2 ZINC000052756773 527250073 /nfs/dbraw/zinc/25/00/73/527250073.db2.gz AGYORQPAYHPUMR-HNNXBMFYSA-N 0 3 289.423 2.160 10 0 CEAEHN O=S(=O)([N-]c1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000069052794 527250573 /nfs/dbraw/zinc/25/05/73/527250573.db2.gz SETVWGDEERTMGZ-UHFFFAOYSA-N 0 3 288.372 2.133 10 0 CEAEHN NCc1cccc(NC(=O)COc2cc(F)cc(F)c2)c1 ZINC000054932537 527259500 /nfs/dbraw/zinc/25/95/00/527259500.db2.gz SJVATZIBOITVAU-UHFFFAOYSA-N 0 3 292.285 2.441 10 0 CEAEHN NCc1ccoc1CN1CCN(c2ccccc2F)CC1 ZINC000052374710 527261386 /nfs/dbraw/zinc/26/13/86/527261386.db2.gz ZGGZAHZIZFRKJV-UHFFFAOYSA-N 0 3 289.354 2.200 10 0 CEAEHN NCc1cnc(Cc2ccc(Br)cc2)nc1 ZINC000054855268 527262564 /nfs/dbraw/zinc/26/25/64/527262564.db2.gz FFYZDJNIRDOIPG-UHFFFAOYSA-N 0 3 278.153 2.289 10 0 CEAEHN NCc1cnn(Cc2ccccc2Br)c1 ZINC000054716770 527263552 /nfs/dbraw/zinc/26/35/52/527263552.db2.gz SUUDKYRGTIRYPP-UHFFFAOYSA-N 0 3 266.142 2.153 10 0 CEAEHN Nc1ccncc1[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000070319731 527535503 /nfs/dbraw/zinc/53/55/03/527535503.db2.gz SQILTPSUFGHJPI-LBPRGKRZSA-N 0 3 254.211 2.163 10 0 CEAEHN O=C([O-])CCC1CC[NH+](CCCN2CCCC2)CC1 ZINC000050926638 527575712 /nfs/dbraw/zinc/57/57/12/527575712.db2.gz NVQBULWEMXYTQO-UHFFFAOYSA-N 0 3 268.401 2.049 10 0 CEAEHN Cn1nccc1[C@@H](N)Cc1ccc(F)cc1Cl ZINC000069467953 527623998 /nfs/dbraw/zinc/62/39/98/527623998.db2.gz XJZHRSKAHRXRRO-NSHDSACASA-N 0 3 253.708 2.455 10 0 CEAEHN CCC(O)(CC)CN1CCN(c2ccccc2F)CC1 ZINC000165198780 528965754 /nfs/dbraw/zinc/96/57/54/528965754.db2.gz QNYDYZITAKQQSF-UHFFFAOYSA-N 0 3 280.387 2.499 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCc1ccsc1 ZINC000177358030 529066599 /nfs/dbraw/zinc/06/65/99/529066599.db2.gz UVSPCOUWXQMXAI-CQSZACIVSA-N 0 3 295.452 2.416 10 0 CEAEHN Cc1c(CNCCc2ncc(C)cc2C)cnn1C ZINC000401061409 574510677 /nfs/dbraw/zinc/51/06/77/574510677.db2.gz FALPLZHHORXRQW-UHFFFAOYSA-N 0 3 258.369 2.073 10 0 CEAEHN CCC1Oc2c(c(Br)ccc2N)C1=O ZINC000757175984 574511338 /nfs/dbraw/zinc/51/13/38/574511338.db2.gz QWTKKFVVLFDKQF-SSDOTTSWSA-N 0 3 256.099 2.385 10 0 CEAEHN CCN1C[C@H](C)[C@H](NCc2occc2Br)C1 ZINC000309664324 625248778 /nfs/dbraw/zinc/24/87/78/625248778.db2.gz SQRRLFKPXFRWDG-GXSJLCMTSA-N 0 3 287.201 2.472 10 0 CEAEHN COc1cc2c([O-])c(C)oc2c(Br)c1 ZINC000162998136 627340818 /nfs/dbraw/zinc/34/08/18/627340818.db2.gz AOWIREPHPWFTEK-RXMQYKEDSA-N 0 3 257.083 2.421 10 0 CEAEHN COc1cc2c(O)c(C)oc2c(Br)c1 ZINC000162998136 627340821 /nfs/dbraw/zinc/34/08/21/627340821.db2.gz AOWIREPHPWFTEK-RXMQYKEDSA-N 0 3 257.083 2.421 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000237005586 629148443 /nfs/dbraw/zinc/14/84/43/629148443.db2.gz WBACQQWZLKQWBI-NOZJJQNGSA-N 0 3 278.352 2.094 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CC1)c1cccc(Br)c1 ZINC000083834528 632225190 /nfs/dbraw/zinc/22/51/90/632225190.db2.gz GKPYDWHQPGRWBJ-MRVPVSSYSA-N 0 3 283.169 2.118 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCCc2cc(OC)ccc21 ZINC000040833526 632355262 /nfs/dbraw/zinc/35/52/62/632355262.db2.gz PJMGJEILUGFACT-ZDUSSCGKSA-N 0 3 262.353 2.102 10 0 CEAEHN COc1c2c(sc1C(=O)NC1CCN(C)CC1)CCC2 ZINC000223468017 639425106 /nfs/dbraw/zinc/42/51/06/639425106.db2.gz RJEPVFLMZADUFT-UHFFFAOYSA-N 0 3 294.420 2.069 10 0 CEAEHN Cc1nn(C)c(CNCC[C@@H]2CCCO2)c1Cl ZINC000089232039 640197080 /nfs/dbraw/zinc/19/70/80/640197080.db2.gz PJCOVYXYVOQYMI-JTQLQIEISA-N 0 3 257.765 2.041 10 0 CEAEHN C[C@]1(O)CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000179615536 641369020 /nfs/dbraw/zinc/36/90/20/641369020.db2.gz OUODPDPIJWQKBI-ZFWWWQNUSA-N 0 3 294.782 2.290 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCCCCCC2)C1 ZINC000057870109 642572603 /nfs/dbraw/zinc/57/26/03/642572603.db2.gz QLEFZPTYITZGTN-CQSZACIVSA-N 0 3 267.417 2.446 10 0 CEAEHN COc1cccc(C2(NC(=O)C(C)(C)N)CCCC2)c1 ZINC000082257450 177930584 /nfs/dbraw/zinc/93/05/84/177930584.db2.gz UGQUHWDMNADHSG-UHFFFAOYSA-N 0 3 276.380 2.318 10 0 CEAEHN CCCNCc1sc(CS(C)(=O)=O)nc1CCC ZINC000082427888 178003818 /nfs/dbraw/zinc/00/38/18/178003818.db2.gz PCXXFUOWBIFFGU-UHFFFAOYSA-N 0 3 290.454 2.140 10 0 CEAEHN COCc1nc(-c2ccccc2OC)sc1CN ZINC000082446353 178023899 /nfs/dbraw/zinc/02/38/99/178023899.db2.gz IOBLGDFKCIFZTO-UHFFFAOYSA-N 0 3 264.350 2.424 10 0 CEAEHN CCCNCc1sc(N2CCCC2)nc1COC ZINC000082447127 178025686 /nfs/dbraw/zinc/02/56/86/178025686.db2.gz OLSMQNPSYOFIQV-UHFFFAOYSA-N 0 3 269.414 2.389 10 0 CEAEHN OC[C@H]1CN(C[C@@H]2CCCC2(F)F)CCC1(F)F ZINC000336266711 365541174 /nfs/dbraw/zinc/54/11/74/365541174.db2.gz HKPGPKMQIJYIOC-VHSXEESVSA-N 0 3 269.282 2.371 10 0 CEAEHN Cn1nc(CN)cc1-c1ccc(Br)s1 ZINC000082577207 178117681 /nfs/dbraw/zinc/11/76/81/178117681.db2.gz VNYHXJGAVPBVPX-UHFFFAOYSA-N 0 3 272.171 2.370 10 0 CEAEHN NCC1(c2ccccc2Br)CC(=O)C1 ZINC000082999626 178333609 /nfs/dbraw/zinc/33/36/09/178333609.db2.gz MYDGJBUSPZOCTR-UHFFFAOYSA-N 0 3 254.127 2.009 10 0 CEAEHN CC[NH2+]CCc1cc(Br)c([O-])c(OC)c1 ZINC000082954760 178329989 /nfs/dbraw/zinc/32/99/89/178329989.db2.gz LEWMMNZEPGRUDM-UHFFFAOYSA-N 0 3 274.158 2.315 10 0 CEAEHN CN(C)[C@@H](CN)c1ccc(Br)cc1F ZINC000036670308 361850746 /nfs/dbraw/zinc/85/07/46/361850746.db2.gz PUNUMDVFEHTJOM-JTQLQIEISA-N 0 3 261.138 2.150 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NCCC(=O)OC ZINC000036891735 361867135 /nfs/dbraw/zinc/86/71/35/361867135.db2.gz VEOIHSUYFGDESZ-LLVKDONJSA-N 0 3 251.326 2.299 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2c(F)cccc2F)C[C@H](C)O1 ZINC000036875096 361867849 /nfs/dbraw/zinc/86/78/49/361867849.db2.gz HVFGHHOKVPKQMW-KWBADKCTSA-N 0 3 270.323 2.074 10 0 CEAEHN CC[C@@H](NC(=O)c1cccc2c1CCNC2)C(C)C ZINC000124226299 539185477 /nfs/dbraw/zinc/18/54/77/539185477.db2.gz LTXVYMBIGVRITG-OAHLLOKOSA-N 0 3 260.381 2.497 10 0 CEAEHN CCOC(=O)C1C(=O)Nc2c1cc(Br)cc2C ZINC000725255573 539201478 /nfs/dbraw/zinc/20/14/78/539201478.db2.gz DYBGQFLVZMASJW-VIFPVBQESA-N 0 3 298.136 2.356 10 0 CEAEHN CCN(CCO)[C@H](C)c1cnn(CC2CCC2)c1 ZINC000725264481 539212780 /nfs/dbraw/zinc/21/27/80/539212780.db2.gz PZJFMFITDGIRHN-GFCCVEGCSA-N 0 3 251.374 2.058 10 0 CEAEHN C[C@@H](C(=O)N1CCC2(CC1)CNC[C@@H](C)O2)C(C)(C)C ZINC000725271321 539215290 /nfs/dbraw/zinc/21/52/90/539215290.db2.gz CFUPHRNMFADUSR-OLZOCXBDSA-N 0 3 282.428 2.038 10 0 CEAEHN CN(Cc1ccc2ccccc2n1)C[C@@H](O)C1CC1 ZINC000079770106 539224153 /nfs/dbraw/zinc/22/41/53/539224153.db2.gz NFLYLFOSDYKYRJ-MRXNPFEDSA-N 0 3 256.349 2.438 10 0 CEAEHN Cn1cc(CN[C@H]2CCC[C@H](O)C2)c(C(C)(C)C)n1 ZINC000126530728 539231771 /nfs/dbraw/zinc/23/17/71/539231771.db2.gz QXNATAFKSNWQSI-STQMWFEESA-N 0 3 265.401 2.111 10 0 CEAEHN Cc1ccc(CNC(=O)[C@H]2C[C@@H](C)CCN2)cc1F ZINC000126114672 187217915 /nfs/dbraw/zinc/21/79/15/187217915.db2.gz QBXDMFQUEBKHIA-IINYFYTJSA-N 0 3 264.344 2.138 10 0 CEAEHN COc1cc(CN2C[C@H]3CCCCN3C[C@H]2C)sn1 ZINC000399076677 539263597 /nfs/dbraw/zinc/26/35/97/539263597.db2.gz VBONQKMMJDAPAH-VXGBXAGGSA-N 0 3 281.425 2.210 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)SC ZINC000126377251 365709132 /nfs/dbraw/zinc/70/91/32/365709132.db2.gz XAQOEDSKRCAVRA-VXGBXAGGSA-N 0 3 258.431 2.071 10 0 CEAEHN CCOC(OCC)C(=O)CCCN1CCCCC1 ZINC000043504215 362146997 /nfs/dbraw/zinc/14/69/97/362146997.db2.gz GEZJILBJAXPFNW-UHFFFAOYSA-N 0 3 257.374 2.221 10 0 CEAEHN COc1cc(CN[C@@H]2CCC[C@@H](O)C2)cc(OC)c1OC ZINC000037164266 343426103 /nfs/dbraw/zinc/42/61/03/343426103.db2.gz GOHAMCMBAWJBBY-CHWSQXEVSA-N 0 3 295.379 2.106 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000037164968 343426240 /nfs/dbraw/zinc/42/62/40/343426240.db2.gz WWYBZWQPFFHQAC-ZBFHGGJFSA-N 0 3 271.364 2.265 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2scnc2C2CC2)[C@@H](C)C1 ZINC000127293562 365741433 /nfs/dbraw/zinc/74/14/33/365741433.db2.gz LXDWKAWRJLNWTP-JQWIXIFHSA-N 0 3 293.436 2.479 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccccc2C)C1 ZINC000148503602 539320034 /nfs/dbraw/zinc/32/00/34/539320034.db2.gz VCMFMMAULWZTKL-CABCVRRESA-N 0 3 262.397 2.366 10 0 CEAEHN CCc1nc(CN[C@@H]2CCCC[C@H]2CO)cs1 ZINC000152332149 529740706 /nfs/dbraw/zinc/74/07/06/529740706.db2.gz RTGCSRMUIPOEEG-CMPLNLGQSA-N 0 3 254.399 2.346 10 0 CEAEHN c1ccc(C2CC[NH+](CCCc3nnn[n-]3)CC2)cc1 ZINC000095107834 344235982 /nfs/dbraw/zinc/23/59/82/344235982.db2.gz UNLKCUNJYHMSFS-UHFFFAOYSA-N 0 3 271.368 2.012 10 0 CEAEHN c1ccc(C2CC[NH+](CCCc3nn[n-]n3)CC2)cc1 ZINC000095107834 344235984 /nfs/dbraw/zinc/23/59/84/344235984.db2.gz UNLKCUNJYHMSFS-UHFFFAOYSA-N 0 3 271.368 2.012 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccccc2F)C1 ZINC000113267359 344276486 /nfs/dbraw/zinc/27/64/86/344276486.db2.gz HFTSMURWBDKUQX-QWHCGFSZSA-N 0 3 266.360 2.197 10 0 CEAEHN CCCc1ccccc1NC(=O)C(C)(C)N1CCNCC1 ZINC000129623151 344345656 /nfs/dbraw/zinc/34/56/56/344345656.db2.gz LYPRAHNWFXQFCD-UHFFFAOYSA-N 0 3 289.423 2.261 10 0 CEAEHN CCN1CCO[C@@H](CNC/C=C/c2ccccc2)C1 ZINC000134436165 344374318 /nfs/dbraw/zinc/37/43/18/344374318.db2.gz MEQORXWGYGFKKN-FSNWXROXSA-N 0 3 260.381 2.010 10 0 CEAEHN C[C@@H](CNc1nnc(Br)s1)N1CCCC1 ZINC000161427197 344464027 /nfs/dbraw/zinc/46/40/27/344464027.db2.gz DVHNHCCUFPGFSF-ZETCQYMHSA-N 0 3 291.218 2.197 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCCC2CCCC2)C1 ZINC000170830229 344491000 /nfs/dbraw/zinc/49/10/00/344491000.db2.gz QAPNNAGYUFBYOS-CQSZACIVSA-N 0 3 267.417 2.302 10 0 CEAEHN C[C@H](N)C(=O)Nc1cccc(Cl)c1Br ZINC000235460187 344591613 /nfs/dbraw/zinc/59/16/13/344591613.db2.gz MEGZOXLXVGVZDO-YFKPBYRVSA-N 0 3 277.549 2.388 10 0 CEAEHN N[C@H](CC1OCCO1)c1cscc1Br ZINC000236317422 344595351 /nfs/dbraw/zinc/59/53/51/344595351.db2.gz PUZSZDJGLYXJMW-MRVPVSSYSA-N 0 3 278.171 2.273 10 0 CEAEHN CC(C)(C[C@@H](N)c1ccc(Br)s1)C(N)=O ZINC000083686127 178686301 /nfs/dbraw/zinc/68/63/01/178686301.db2.gz JFFUYYLNNMBRTR-ZCFIWIBFSA-N 0 3 291.214 2.412 10 0 CEAEHN NCc1cccc(Cl)c1I ZINC000238684356 344607600 /nfs/dbraw/zinc/60/76/00/344607600.db2.gz QZICLGDYLBMCQM-UHFFFAOYSA-N 0 3 267.497 2.403 10 0 CEAEHN CNc1ccccc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000251624481 344636913 /nfs/dbraw/zinc/63/69/13/344636913.db2.gz FBZNIZLZVAVEMG-OLZOCXBDSA-N 0 3 273.380 2.037 10 0 CEAEHN C[C@H]1[C@H](Nc2nccnc2N)CCN1Cc1ccccc1 ZINC000306729222 344717002 /nfs/dbraw/zinc/71/70/02/344717002.db2.gz OHDMMADNXJBAQU-GXTWGEPZSA-N 0 3 283.379 2.134 10 0 CEAEHN CCC[S@@](=O)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000084009771 178771556 /nfs/dbraw/zinc/77/15/56/178771556.db2.gz QKOXKCYTOOJMFA-XCLFUZPHSA-N 0 3 297.420 2.267 10 0 CEAEHN CN[C@H](C)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000054072941 362508998 /nfs/dbraw/zinc/50/89/98/362508998.db2.gz FNCUOWVWXDDMRP-LRVUVFPRSA-N 0 3 260.381 2.437 10 0 CEAEHN N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1F ZINC000051017799 232178034 /nfs/dbraw/zinc/17/80/34/232178034.db2.gz CVOPOUKVSMAPGV-HNNXBMFYSA-N 0 3 290.313 2.151 10 0 CEAEHN CN[C@](C)(C[C@@H](C)SC1CCCCC1)C(N)=O ZINC000084351086 178862767 /nfs/dbraw/zinc/86/27/67/178862767.db2.gz HXMSIDNIIPXIEM-ZWNOBZJWSA-N 0 3 258.431 2.294 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2c(C)nn(C)c2C)C1(C)C ZINC000084440195 178890019 /nfs/dbraw/zinc/89/00/19/178890019.db2.gz SDMDAAISEQBSQF-KBPBESRZSA-N 0 3 265.401 2.330 10 0 CEAEHN CN(CCO)CCN(C)Cc1cccc2ccccc21 ZINC000623091620 349936301 /nfs/dbraw/zinc/93/63/01/349936301.db2.gz KLCOXBOSLSHTDI-UHFFFAOYSA-N 0 3 272.392 2.196 10 0 CEAEHN CN[C@H](c1ccnn1C)[C@@H]1CCCc2cccnc21 ZINC000097303261 185581167 /nfs/dbraw/zinc/58/11/67/185581167.db2.gz HSLXKZDRTTYSQW-DOMZBBRYSA-N 0 3 256.353 2.196 10 0 CEAEHN CCc1nn(CC)c(C[C@@H](NC)c2ccnnc2)c1Cl ZINC000097279647 185577555 /nfs/dbraw/zinc/57/75/55/185577555.db2.gz ATZJICZWGVCVMF-GFCCVEGCSA-N 0 3 293.802 2.412 10 0 CEAEHN CCCN[C@H](CC[C@H](C)OC)c1ncc(OC)nc1OC ZINC000097387046 185596699 /nfs/dbraw/zinc/59/66/99/185596699.db2.gz GKZSJUXLSZTPTA-NWDGAFQWSA-N 0 3 297.399 2.350 10 0 CEAEHN CN(C)C[C@H](NC(=O)CC1(O)CCCC1)c1ccccc1 ZINC000173723553 232281840 /nfs/dbraw/zinc/28/18/40/232281840.db2.gz VPXKZFUNZSRZCL-HNNXBMFYSA-N 0 3 290.407 2.101 10 0 CEAEHN CN[C@@H](c1c(Cl)cnn1CCOC)[C@@H]1CCSC1 ZINC000097461914 185610725 /nfs/dbraw/zinc/61/07/25/185610725.db2.gz VGEZTFPRMXLAPC-MWLCHTKSSA-N 0 3 289.832 2.197 10 0 CEAEHN CC[C@@](C)([C@@H](NN)c1ccc(OC2CC2)cc1)N(C)C ZINC000097582935 185630632 /nfs/dbraw/zinc/63/06/32/185630632.db2.gz XHCISGNTKRDINS-HOTGVXAUSA-N 0 3 277.412 2.463 10 0 CEAEHN CC[C@@](C)([C@@H](Cc1csc(C)n1)NN)N1CCCC1 ZINC000097584829 185630980 /nfs/dbraw/zinc/63/09/80/185630980.db2.gz YJPSZJOXVOAYSI-KGLIPLIRSA-N 0 3 282.457 2.090 10 0 CEAEHN CCN[C@@](CO)(CSc1nncs1)c1ccccc1 ZINC000085292466 179007896 /nfs/dbraw/zinc/00/78/96/179007896.db2.gz KXOXEGHEUDSICK-ZDUSSCGKSA-N 0 3 295.433 2.128 10 0 CEAEHN N[C@H]1COC[C@H]1c1nc2cc(Br)ccc2s1 ZINC000085352952 179029855 /nfs/dbraw/zinc/02/98/55/179029855.db2.gz CPYJUPLFOALELO-SFYZADRCSA-N 0 3 299.193 2.500 10 0 CEAEHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000063171167 362753848 /nfs/dbraw/zinc/75/38/48/362753848.db2.gz WPVAXDPINJXMDE-SSDOTTSWSA-N 0 3 297.207 2.009 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(Cl)ncc2Cl)C1 ZINC000129312355 365846813 /nfs/dbraw/zinc/84/68/13/365846813.db2.gz JSDJYNVBUAHXRL-MRVPVSSYSA-N 0 3 288.178 2.165 10 0 CEAEHN CN[C@@H](CCO)C[S@@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927498 179201924 /nfs/dbraw/zinc/20/19/24/179201924.db2.gz WQEIBJLMGDZVDY-DJJJIMSYSA-N 0 3 283.437 2.062 10 0 CEAEHN O=C(CNC[C@@H]1CCCC[C@H]1O)Nc1cccc(Cl)c1 ZINC000085985786 179211376 /nfs/dbraw/zinc/21/13/76/179211376.db2.gz HVMICDOZFNZCSY-SMDDNHRTSA-N 0 3 296.798 2.419 10 0 CEAEHN COc1c(C)cnc(CNC[C@H]2CCCC[C@H]2O)c1C ZINC000085984807 179211593 /nfs/dbraw/zinc/21/15/93/179211593.db2.gz MGSWCAXSLILWSN-UKRRQHHQSA-N 0 3 278.396 2.348 10 0 CEAEHN CC(C)Cc1ccc([C@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020027 179218108 /nfs/dbraw/zinc/21/81/08/179218108.db2.gz IAQWRDAWBZFLLY-CABCVRRESA-N 0 3 281.421 2.320 10 0 CEAEHN CCN[C@H](c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086021212 179218637 /nfs/dbraw/zinc/21/86/37/179218637.db2.gz QAPJYSRNYVXPEH-YPMHNXCESA-N 0 3 287.450 2.450 10 0 CEAEHN CC[C@H]1CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H]1C ZINC000086094719 179229706 /nfs/dbraw/zinc/22/97/06/179229706.db2.gz ZQECPIFGWYDRLV-XTBFLFJDSA-N 0 3 290.407 2.203 10 0 CEAEHN Cn1cc([C@@H]2CCN(Cc3cccc(O)c3)C2)cn1 ZINC000128510859 187375035 /nfs/dbraw/zinc/37/50/35/187375035.db2.gz LJVXXTMHZAXMJJ-CYBMUJFWSA-N 0 3 257.337 2.115 10 0 CEAEHN C[C@]1(c2ccccc2)CN(CCc2ccccn2)CCN1 ZINC000086130601 179236351 /nfs/dbraw/zinc/23/63/51/179236351.db2.gz FRFKJPVOYZLTTA-GOSISDBHSA-N 0 3 281.403 2.445 10 0 CEAEHN CC(C)CN1C(=O)C[C@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317460 179270241 /nfs/dbraw/zinc/27/02/41/179270241.db2.gz OKUMBEBZOYKVAF-SUMWQHHRSA-N 0 3 283.375 2.492 10 0 CEAEHN COCCCN(C)[C@H](CN)c1cc(Cl)cs1 ZINC000086333332 179273508 /nfs/dbraw/zinc/27/35/08/179273508.db2.gz CYGLKROORNTTIY-SNVBAGLBSA-N 0 3 262.806 2.370 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cccc(OC)c2)[C@@H](CC)CN1 ZINC000086447288 179296028 /nfs/dbraw/zinc/29/60/28/179296028.db2.gz IJIQFDGLZUODKP-KBPBESRZSA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@H]1CN(C(=O)Cc2ccc(OC)cc2)[C@@H](CC)CN1 ZINC000086447182 179295739 /nfs/dbraw/zinc/29/57/39/179295739.db2.gz RCQXXKDZAZUMGE-GJZGRUSLSA-N 0 3 290.407 2.227 10 0 CEAEHN N[C@@H]1COC[C@@H]1c1nc2ccc(Cl)cc2s1 ZINC000086480056 179300374 /nfs/dbraw/zinc/30/03/74/179300374.db2.gz BGHOINTWAKXFPI-JGVFFNPUSA-N 0 3 254.742 2.391 10 0 CEAEHN c1ccc2c(c1)C[C@@H]2c1ncc(CNC2CC2)cn1 ZINC000086490749 179302548 /nfs/dbraw/zinc/30/25/48/179302548.db2.gz UJDFPNHZPWFISK-HNNXBMFYSA-N 0 3 251.333 2.417 10 0 CEAEHN COC(OC)[C@@H](N)Cc1c(Cl)cccc1Cl ZINC000086451992 179296396 /nfs/dbraw/zinc/29/63/96/179296396.db2.gz RRRVFTIQIHTFEY-JTQLQIEISA-N 0 3 264.152 2.482 10 0 CEAEHN COc1ccc([C@H](CN)N2CCC(OC)CC2)cc1Cl ZINC000086586458 179310215 /nfs/dbraw/zinc/31/02/15/179310215.db2.gz GEMGPYHJMSBSHS-AWEZNQCLSA-N 0 3 298.814 2.459 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCOC(C)(C)C2)cc1Cl ZINC000086586527 179310309 /nfs/dbraw/zinc/31/03/09/179310309.db2.gz GTCSMDFBYJASEJ-CYBMUJFWSA-N 0 3 298.814 2.459 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCCOCC2)cc1Cl ZINC000086595106 179310797 /nfs/dbraw/zinc/31/07/97/179310797.db2.gz VFYMPSSBSFCPOV-CYBMUJFWSA-N 0 3 284.787 2.071 10 0 CEAEHN CN[C@H](COC)c1cc(F)cc(Br)c1 ZINC000086526435 179306063 /nfs/dbraw/zinc/30/60/63/179306063.db2.gz QQTJYSNEKTUHAA-SNVBAGLBSA-N 0 3 262.122 2.495 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+]2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000086869348 179363473 /nfs/dbraw/zinc/36/34/73/179363473.db2.gz FJIBRNXCJYZHHX-HIFRSBDPSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+]2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000086869348 179363476 /nfs/dbraw/zinc/36/34/76/179363476.db2.gz FJIBRNXCJYZHHX-HIFRSBDPSA-N 0 3 268.401 2.190 10 0 CEAEHN CCN1CCC[C@](NCc2ccccc2)(C(=O)OC)CC1 ZINC000086849887 179357993 /nfs/dbraw/zinc/35/79/93/179357993.db2.gz UDMXMCDNPYAGPM-QGZVFWFLSA-N 0 3 290.407 2.194 10 0 CEAEHN CCN1CCC[C@@](NCc2cccs2)(C(=O)OC)CC1 ZINC000086850319 179358167 /nfs/dbraw/zinc/35/81/67/179358167.db2.gz XWZKYDFMEPNDQW-HNNXBMFYSA-N 0 3 296.436 2.255 10 0 CEAEHN CCC(O)(CC)CNCc1[nH]nnc1-c1ccccc1 ZINC000087015052 179379732 /nfs/dbraw/zinc/37/97/32/179379732.db2.gz DZTXLVSGFHCXMY-UHFFFAOYSA-N 0 3 274.368 2.112 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@](C)(O)CC)c1C ZINC000087013786 179379991 /nfs/dbraw/zinc/37/99/91/179379991.db2.gz USYBOYAYRWKNOM-IINYFYTJSA-N 0 3 253.390 2.331 10 0 CEAEHN Cc1cc([C@H](N)CCCC(N)=O)sc1Br ZINC000087019497 179381323 /nfs/dbraw/zinc/38/13/23/179381323.db2.gz DPRBTOMNAMGEHK-SSDOTTSWSA-N 0 3 291.214 2.474 10 0 CEAEHN N[C@@H]1CCCc2nc([C@@H]3CSCCO3)sc21 ZINC000086989832 179374687 /nfs/dbraw/zinc/37/46/87/179374687.db2.gz XEVWICGKOLYJOL-APPZFPTMSA-N 0 3 256.396 2.284 10 0 CEAEHN COc1ccc([C@H](CO)NC2CCCC2)cc1F ZINC000086994934 179375958 /nfs/dbraw/zinc/37/59/58/179375958.db2.gz YZKKIWVPHUDOIZ-ZDUSSCGKSA-N 0 3 253.317 2.400 10 0 CEAEHN CC1CCC(O)(CN[C@@H]2COc3cc(O)ccc32)CC1 ZINC000087043984 179387731 /nfs/dbraw/zinc/38/77/31/179387731.db2.gz PXXDUYZULGCUOB-OFWKBQFLSA-N 0 3 277.364 2.357 10 0 CEAEHN C[C@H]1CCC[C@@](O)(CNC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000087052351 179388867 /nfs/dbraw/zinc/38/88/67/179388867.db2.gz XRSFLOSKWRPSPG-LRDDRELGSA-N 0 3 298.427 2.137 10 0 CEAEHN Cc1ccc(NC(=O)[C@H](C)NCC2(O)CCCC2)cc1 ZINC000087028799 179382455 /nfs/dbraw/zinc/38/24/55/179382455.db2.gz ZBHGJTYQTLHVHF-ZDUSSCGKSA-N 0 3 276.380 2.217 10 0 CEAEHN C[C@H]1CCC[C@](O)(CNCC(=O)Nc2cccc(F)c2)C1 ZINC000087064341 179390386 /nfs/dbraw/zinc/39/03/86/179390386.db2.gz GOFUPOJWVJPOGE-BLLLJJGKSA-N 0 3 294.370 2.295 10 0 CEAEHN NC(=O)c1ccc(CNCC2(O)CCCCCC2)c(F)c1 ZINC000087089467 179393568 /nfs/dbraw/zinc/39/35/68/179393568.db2.gz JFFCKTSMFBTYAT-UHFFFAOYSA-N 0 3 294.370 2.100 10 0 CEAEHN CC[C@H]1CNC[C@H](c2cc(OC)cc(OC)c2)O1 ZINC000087090353 179393988 /nfs/dbraw/zinc/39/39/88/179393988.db2.gz WCDKJMJHDYUXNH-SMDDNHRTSA-N 0 3 251.326 2.143 10 0 CEAEHN Cc1nn(C)c(OCc2ccc(Cl)cc2)c1CN ZINC000087090668 179394029 /nfs/dbraw/zinc/39/40/29/179394029.db2.gz WPSWGFQGFIDUJI-UHFFFAOYSA-N 0 3 265.744 2.420 10 0 CEAEHN CC[C@H]1CNC[C@](C)(Cc2ccc(OC)c(OC)c2)O1 ZINC000087090229 179394052 /nfs/dbraw/zinc/39/40/52/179394052.db2.gz VRRKSFRNKFXELL-BBRMVZONSA-N 0 3 279.380 2.403 10 0 CEAEHN Brc1ccc2c(c1)CC[C@H](NC1COC1)C2 ZINC000087194664 179399678 /nfs/dbraw/zinc/39/96/78/179399678.db2.gz USCMYFAQAXHXLC-LBPRGKRZSA-N 0 3 282.181 2.295 10 0 CEAEHN Brc1ccc2c(c1)CC[C@@H](NC1COC1)C2 ZINC000087194665 179399718 /nfs/dbraw/zinc/39/97/18/179399718.db2.gz USCMYFAQAXHXLC-GFCCVEGCSA-N 0 3 282.181 2.295 10 0 CEAEHN CCNCc1cnc(C)n1CCCOCC(F)(F)F ZINC000087320822 179412804 /nfs/dbraw/zinc/41/28/04/179412804.db2.gz NLEDZBZTTBKUAS-UHFFFAOYSA-N 0 3 279.306 2.270 10 0 CEAEHN COc1cc([C@@H]2CCCN(C)C2)c(C)cc1NC=O ZINC000616220752 348462083 /nfs/dbraw/zinc/46/20/83/348462083.db2.gz YXDZVVYDZQNFHT-GFCCVEGCSA-N 0 3 262.353 2.381 10 0 CEAEHN CC(C)N1CCOC[C@H](c2cccc3nnccc32)C1 ZINC000616659614 348551949 /nfs/dbraw/zinc/55/19/49/348551949.db2.gz LQPDAQDCQLMWBS-CYBMUJFWSA-N 0 3 271.364 2.454 10 0 CEAEHN OCCN1CCCO[C@H](c2ccc(Cl)cc2)C1 ZINC000616648827 348546786 /nfs/dbraw/zinc/54/67/86/348546786.db2.gz DMDQFSKWTYZYMC-ZDUSSCGKSA-N 0 3 255.745 2.096 10 0 CEAEHN CCN1CCCO[C@@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616653702 348549043 /nfs/dbraw/zinc/54/90/43/348549043.db2.gz VSMVHMLEJDYBCD-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN CC(C)(C)N1CCCOC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616597259 348529439 /nfs/dbraw/zinc/52/94/39/348529439.db2.gz OQJVHRBZPGASAU-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN CCN1CCCOC[C@@H]1c1cccc2ccnnc21 ZINC000616599173 348529944 /nfs/dbraw/zinc/52/99/44/348529944.db2.gz ILUSGVAFFTZDSQ-CQSZACIVSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(C)[C@@H](NC(=O)C1(N)CC1)c1ccc(F)cc1 ZINC000088129911 179553917 /nfs/dbraw/zinc/55/39/17/179553917.db2.gz HJWHGWBGCZUEQA-GFCCVEGCSA-N 0 3 250.317 2.130 10 0 CEAEHN c1n[nH]cc1[C@H]1CCN(Cc2ccccc2)CCO1 ZINC000616664012 348554564 /nfs/dbraw/zinc/55/45/64/348554564.db2.gz ZUESGHBAAMEVHU-OAHLLOKOSA-N 0 3 257.337 2.373 10 0 CEAEHN CCCC[C@H](C)NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088540629 179619774 /nfs/dbraw/zinc/61/97/74/179619774.db2.gz WWRJLICGGYUOTE-NSHDSACASA-N 0 3 288.413 2.198 10 0 CEAEHN CCOC(=O)C[C@H](NC)c1cccc(COC)c1 ZINC000088556062 179622980 /nfs/dbraw/zinc/62/29/80/179622980.db2.gz FXBCOHKFTDXMLR-ZDUSSCGKSA-N 0 3 251.326 2.047 10 0 CEAEHN CCCCNS(=O)(=O)c1ccsc1CNC(C)C ZINC000088983489 179690073 /nfs/dbraw/zinc/69/00/73/179690073.db2.gz CIBUBGOGKQHKIW-UHFFFAOYSA-N 0 3 290.454 2.325 10 0 CEAEHN COc1ccccc1NC(=O)CNC1(C(C)C)CC1 ZINC000339506721 215217977 /nfs/dbraw/zinc/21/79/77/215217977.db2.gz NSLRYCDIFWILET-UHFFFAOYSA-N 0 3 262.353 2.412 10 0 CEAEHN CCOc1ccc(OCCN2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000401494166 233182399 /nfs/dbraw/zinc/18/23/99/233182399.db2.gz ISJNVKSXWSUJMZ-ZIAGYGMSSA-N 0 3 279.380 2.167 10 0 CEAEHN CCc1cc(CN2CCNC[C@H]2c2ccccc2)n(C)n1 ZINC000089208630 179754539 /nfs/dbraw/zinc/75/45/39/179754539.db2.gz DQCCIKJEYZLXOW-KRWDZBQOSA-N 0 3 284.407 2.129 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OCC(=O)OC ZINC000104335299 185973523 /nfs/dbraw/zinc/97/35/23/185973523.db2.gz WMKRLEOAMJTRBW-LLVKDONJSA-N 0 3 251.326 2.217 10 0 CEAEHN CN1C[C@@H](CNCc2ccsc2C(F)(F)F)CC1=O ZINC000623571127 350054270 /nfs/dbraw/zinc/05/42/70/350054270.db2.gz NKMDXIXIYMMVTQ-MRVPVSSYSA-N 0 3 292.326 2.335 10 0 CEAEHN CN[C@@H]1COC[C@@H]1c1nc(Cc2ccccc2Cl)no1 ZINC000090423627 179983690 /nfs/dbraw/zinc/98/36/90/179983690.db2.gz YYTMWYKTDSDPGB-CMPLNLGQSA-N 0 3 293.754 2.016 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000623763772 350105724 /nfs/dbraw/zinc/10/57/24/350105724.db2.gz OOHKWVOKQYYCDH-RYUDHWBXSA-N 0 3 276.163 2.233 10 0 CEAEHN CCn1c2c(cccc2Cl)nc1[C@]1(C)COC[C@@H]1N ZINC000090571808 180007380 /nfs/dbraw/zinc/00/73/80/180007380.db2.gz ZACLHVZYAALOEP-SMDDNHRTSA-N 0 3 279.771 2.325 10 0 CEAEHN C[C@@]1(c2nc(C3CCCCCC3)no2)COC[C@H]1N ZINC000090574165 180008485 /nfs/dbraw/zinc/00/84/85/180008485.db2.gz MTXHZTBAOKLVGT-BXUZGUMPSA-N 0 3 265.357 2.123 10 0 CEAEHN CCCN(Cc1ccc(C)cc1)C(=O)[C@@]1(C)COC[C@H]1N ZINC000090590696 180010127 /nfs/dbraw/zinc/01/01/27/180010127.db2.gz ABPPINMUDJTBID-WBVHZDCISA-N 0 3 290.407 2.097 10 0 CEAEHN Cn1ncc2c1CCC[C@H]2NCCc1cscn1 ZINC000104438896 186002693 /nfs/dbraw/zinc/00/26/93/186002693.db2.gz DCPDSDDHVIJFOA-GFCCVEGCSA-N 0 3 262.382 2.086 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)CC1CCCC1 ZINC000090699783 180027865 /nfs/dbraw/zinc/02/78/65/180027865.db2.gz FWUHAGXZMJJBAB-AWEZNQCLSA-N 0 3 284.469 2.462 10 0 CEAEHN COc1ncccc1CNC[C@H]1Cc2ccccc2O1 ZINC000090874320 180050051 /nfs/dbraw/zinc/05/00/51/180050051.db2.gz AGMHWQDSLNGBNI-CQSZACIVSA-N 0 3 270.332 2.184 10 0 CEAEHN CCOC(=O)[C@H](C)Sc1cccc(CNCCOC)c1 ZINC000090873256 180050122 /nfs/dbraw/zinc/05/01/22/180050122.db2.gz ORYCTRRFRLNLSN-LBPRGKRZSA-N 0 3 297.420 2.466 10 0 CEAEHN CCNC(=O)[C@@H](C)Sc1cccc(CNCCOC)c1 ZINC000090873099 180050206 /nfs/dbraw/zinc/05/02/06/180050206.db2.gz ZXEVKDCPELQTSE-GFCCVEGCSA-N 0 3 296.436 2.039 10 0 CEAEHN COc1cc(CNC[C@H]2Cc3cc(F)ccc3O2)ccn1 ZINC000090892746 180054827 /nfs/dbraw/zinc/05/48/27/180054827.db2.gz WQQUQSDGJFYGIC-CQSZACIVSA-N 0 3 288.322 2.323 10 0 CEAEHN Cc1ccc2c(c1)C[C@H](CNCc1ccnc(C)n1)O2 ZINC000090897492 180057445 /nfs/dbraw/zinc/05/74/45/180057445.db2.gz GQXRBPRUSSAIMQ-OAHLLOKOSA-N 0 3 269.348 2.187 10 0 CEAEHN CCOC(=O)CCN(C)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900856 180058743 /nfs/dbraw/zinc/05/87/43/180058743.db2.gz MDSQJDRJLOHROB-CQSZACIVSA-N 0 3 277.364 2.184 10 0 CEAEHN OC[C@H]1CCCCN1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900908 180059197 /nfs/dbraw/zinc/05/91/97/180059197.db2.gz DLPOXDPQBWFRGG-KGLIPLIRSA-N 0 3 281.783 2.490 10 0 CEAEHN COC(=O)CCN(C)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900857 180059297 /nfs/dbraw/zinc/05/92/97/180059297.db2.gz IPCGDDGEOWSCMB-LBPRGKRZSA-N 0 3 283.755 2.138 10 0 CEAEHN NC[C@@H](c1cccc(Cl)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905569 180060384 /nfs/dbraw/zinc/06/03/84/180060384.db2.gz VNYZAUSJJBDHCS-MJBXVCDLSA-N 0 3 266.772 2.203 10 0 CEAEHN Cc1cc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c(C)s1 ZINC000090905896 180060770 /nfs/dbraw/zinc/06/07/70/180060770.db2.gz HCXYUZQZCSXAGN-SCRDCRAPSA-N 0 3 266.410 2.228 10 0 CEAEHN Cc1oc(CNC(C)C)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907900 180062309 /nfs/dbraw/zinc/06/23/09/180062309.db2.gz GIJWLYSDELFCBW-GASCZTMLSA-N 0 3 278.396 2.449 10 0 CEAEHN CC(=O)Nc1ccsc1CNCC1(O)CCCC1 ZINC000090960842 180076096 /nfs/dbraw/zinc/07/60/96/180076096.db2.gz GGWBCSNHJWAUDR-UHFFFAOYSA-N 0 3 268.382 2.101 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@H](C)Cn1ccnc1 ZINC000090962083 180076468 /nfs/dbraw/zinc/07/64/68/180076468.db2.gz ONCLRWYARNPCJV-GFCCVEGCSA-N 0 3 272.352 2.020 10 0 CEAEHN CC(=O)Nc1ccsc1CNCCc1cscn1 ZINC000090960724 180076516 /nfs/dbraw/zinc/07/65/16/180076516.db2.gz PIZGJFQDGUKBJS-UHFFFAOYSA-N 0 3 281.406 2.495 10 0 CEAEHN CO[C@H]1CCC[C@@H]1NCc1ccccc1NC(C)=O ZINC000090962518 180077318 /nfs/dbraw/zinc/07/73/18/180077318.db2.gz KOMPPPUQJDVTDZ-GJZGRUSLSA-N 0 3 262.353 2.302 10 0 CEAEHN NC[C@@H](NC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC000090987172 180080942 /nfs/dbraw/zinc/08/09/42/180080942.db2.gz LLLBIANNMXJUOT-JKSUJKDBSA-N 0 3 266.344 2.143 10 0 CEAEHN CNCc1cccn1CC(=O)Nc1cccc(Cl)c1 ZINC000090995725 180082696 /nfs/dbraw/zinc/08/26/96/180082696.db2.gz NQQUHZDLKSHWDG-UHFFFAOYSA-N 0 3 277.755 2.500 10 0 CEAEHN Clc1ccc2[nH]c(C[C@H]3CSCCN3)nc2c1 ZINC000091128463 180100250 /nfs/dbraw/zinc/10/02/50/180100250.db2.gz ZRLYCJGGTBXHNZ-VIFPVBQESA-N 0 3 267.785 2.464 10 0 CEAEHN C[C@H](OC(=O)C[C@@H]1CSCCN1)c1ccccc1 ZINC000091129958 180100857 /nfs/dbraw/zinc/10/08/57/180100857.db2.gz SRPBTGARHVJFKT-WCQYABFASA-N 0 3 265.378 2.386 10 0 CEAEHN FC(F)c1c(CNC2CC2)cnn1-c1ccncc1 ZINC000091337099 180136276 /nfs/dbraw/zinc/13/62/76/180136276.db2.gz BGZUPSYUSRFHRG-UHFFFAOYSA-N 0 3 264.279 2.457 10 0 CEAEHN CCc1c(CNCCOC)cnn1-c1ccc(F)cc1 ZINC000091335177 180136345 /nfs/dbraw/zinc/13/63/45/180136345.db2.gz SYENIQPLFKQQDW-UHFFFAOYSA-N 0 3 277.343 2.310 10 0 CEAEHN COc1ccc(C)cc1[C@H](N)CSC[C@@H](C)CO ZINC000091260604 180115875 /nfs/dbraw/zinc/11/58/75/180115875.db2.gz SRRDPCOJWJNJBD-WCQYABFASA-N 0 3 269.410 2.365 10 0 CEAEHN CN[C@H](CS[C@@H](C)CCO)c1ccc(OC)cc1 ZINC000091269033 180116947 /nfs/dbraw/zinc/11/69/47/180116947.db2.gz CNEHKTKBTJBRLA-SMDDNHRTSA-N 0 3 269.410 2.460 10 0 CEAEHN CCC(CC)N(CCOC)[C@H](CN)c1cncn1C1CC1 ZINC000091276436 180120531 /nfs/dbraw/zinc/12/05/31/180120531.db2.gz MLAZXQZHSLJGQA-OAHLLOKOSA-N 0 3 294.443 2.355 10 0 CEAEHN C[C@@H](NC(=O)C[C@@H]1CSCCN1)c1ccsc1 ZINC000091291155 180122717 /nfs/dbraw/zinc/12/27/17/180122717.db2.gz RPWCYJIXAKRKAF-MWLCHTKSSA-N 0 3 270.423 2.020 10 0 CEAEHN C[C@@H](O)c1cccc(NC(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000091433280 180154750 /nfs/dbraw/zinc/15/47/50/180154750.db2.gz DXJPZWHDCSOVPY-IUODEOHRSA-N 0 3 291.395 2.298 10 0 CEAEHN COCCNC[C@H](O)Cc1csc2ccccc12 ZINC000091467397 180164493 /nfs/dbraw/zinc/16/44/93/180164493.db2.gz VYWNEARSSYWRNZ-GFCCVEGCSA-N 0 3 265.378 2.041 10 0 CEAEHN Cc1cc([C@@H]2[C@H](N)CCC(=O)N2C)ccc1Br ZINC000091476119 180166193 /nfs/dbraw/zinc/16/61/93/180166193.db2.gz BUODJWXZSIDFLS-DGCLKSJQSA-N 0 3 297.196 2.378 10 0 CEAEHN CC1(C)C(C(=O)NCc2ccccc2CN)C1(C)C ZINC000091492690 180170596 /nfs/dbraw/zinc/17/05/96/180170596.db2.gz HUCRSTLEXQVYPF-UHFFFAOYSA-N 0 3 260.381 2.444 10 0 CEAEHN CCCN[C@H](Cc1ccc(C)cn1)C(C)(C)S(C)(=O)=O ZINC000091386209 180144301 /nfs/dbraw/zinc/14/43/01/180144301.db2.gz NPRALWLWJAMCEN-CQSZACIVSA-N 0 3 298.452 2.124 10 0 CEAEHN CN(C)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2N)C1 ZINC000091392507 180144765 /nfs/dbraw/zinc/14/47/65/180144765.db2.gz BQJAEKISFCJTPJ-NSHDSACASA-N 0 3 281.787 2.088 10 0 CEAEHN OC1CC(NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000091415842 180149353 /nfs/dbraw/zinc/14/93/53/180149353.db2.gz FRLDZLIIWIJIHH-UHFFFAOYSA-N 0 3 261.243 2.198 10 0 CEAEHN CCCNCc1cncc(-n2ncc3ccccc32)n1 ZINC000091422277 180151439 /nfs/dbraw/zinc/15/14/39/180151439.db2.gz OBIVKZWVJKPGCP-UHFFFAOYSA-N 0 3 267.336 2.315 10 0 CEAEHN CCCN[C@@H](c1nccn1CC)C(C)(C)N1CCOCC1 ZINC000091567184 180195030 /nfs/dbraw/zinc/19/50/30/180195030.db2.gz AKCRKBOMAGUWCJ-AWEZNQCLSA-N 0 3 294.443 2.055 10 0 CEAEHN CC[C@](C)([C@H](N)c1cc(Cl)cnc1N)N(C)C ZINC000091569713 180195495 /nfs/dbraw/zinc/19/54/95/180195495.db2.gz DOGQBYSKWGSYFU-ZYHUDNBSSA-N 0 3 256.781 2.047 10 0 CEAEHN CC(C)c1nn(C)c(NCCN2CCC(C)CC2)c1N ZINC000091583988 180199740 /nfs/dbraw/zinc/19/97/40/180199740.db2.gz PGGLUJDLCQWVRP-UHFFFAOYSA-N 0 3 279.432 2.270 10 0 CEAEHN CCn1ccnc1[C@@H](NC)[C@@](C)(CC)N1CCCC1 ZINC000091606726 180203765 /nfs/dbraw/zinc/20/37/65/180203765.db2.gz QGKXBVUBYBPILG-UKRRQHHQSA-N 0 3 264.417 2.428 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2cc(F)ccc2F)C1 ZINC000105174220 186044747 /nfs/dbraw/zinc/04/47/47/186044747.db2.gz AVPCTNBCZJJOBW-CYBMUJFWSA-N 0 3 297.349 2.248 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccc(OC)cc1)N1CCOCC1 ZINC000091611570 180206240 /nfs/dbraw/zinc/20/62/40/180206240.db2.gz ONNJOPJSLNTXJC-HZPDHXFCSA-N 0 3 278.396 2.196 10 0 CEAEHN CC[C@](C)([C@@H](O)C1CCCCC1)N1CCOCC1 ZINC000091611256 180206401 /nfs/dbraw/zinc/20/64/01/180206401.db2.gz KEXHYQGTMOEXDX-LSDHHAIUSA-N 0 3 255.402 2.429 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccsc1)N1CCOCC1 ZINC000091611619 180206658 /nfs/dbraw/zinc/20/66/58/180206658.db2.gz YYTJGBHWGKJMBE-STQMWFEESA-N 0 3 254.399 2.249 10 0 CEAEHN CC(C)N1C(=O)C[C@@H](NCCc2ccc(Cl)cc2)C1=O ZINC000104929534 186033069 /nfs/dbraw/zinc/03/30/69/186033069.db2.gz KSKDJWXENQYXBM-CYBMUJFWSA-N 0 3 294.782 2.008 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccc(F)cc1)N1CCOCC1 ZINC000091611988 180207025 /nfs/dbraw/zinc/20/70/25/180207025.db2.gz RBONMUVAGNMUSA-LSDHHAIUSA-N 0 3 266.360 2.326 10 0 CEAEHN CCN[C@@H](c1nccn1CC)[C@](C)(CC)N1CCOCC1 ZINC000091612979 180207131 /nfs/dbraw/zinc/20/71/31/180207131.db2.gz CADGIYSTFQBFMH-HOCLYGCPSA-N 0 3 294.443 2.055 10 0 CEAEHN CCN[C@@H](c1ccnn1CC)[C@](C)(CC)N1CCOCC1 ZINC000091612787 180207317 /nfs/dbraw/zinc/20/73/17/180207317.db2.gz SJEDEGIJKMAENT-HOTGVXAUSA-N 0 3 294.443 2.055 10 0 CEAEHN CCOC(=O)[C@@]1(Nc2cc(C)cc(F)c2)CCN(C)C1 ZINC000091516033 180176907 /nfs/dbraw/zinc/17/69/07/180176907.db2.gz WCKCNQCMFNJQPY-OAHLLOKOSA-N 0 3 280.343 2.183 10 0 CEAEHN COc1ccc([C@@H](N)C(C)(C)N(C)C)c(OC)c1 ZINC000091528365 180179850 /nfs/dbraw/zinc/17/98/50/180179850.db2.gz PEFIUURICOQSHB-CYBMUJFWSA-N 0 3 252.358 2.044 10 0 CEAEHN CCN(CC)C(C)(C)C(=O)Cc1ncnn1C(C)C ZINC000091529777 180180670 /nfs/dbraw/zinc/18/06/70/180180670.db2.gz WWPICYGLGSXDOJ-UHFFFAOYSA-N 0 3 266.389 2.091 10 0 CEAEHN CC[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1=O)C(C)C ZINC000105028349 186038521 /nfs/dbraw/zinc/03/85/21/186038521.db2.gz RNWOHMWKNJKKLV-KBPBESRZSA-N 0 3 274.364 2.343 10 0 CEAEHN CCN(CC)C1(C(=O)Cc2cc(C)nn2C)CCCC1 ZINC000091638539 180211889 /nfs/dbraw/zinc/21/18/89/180211889.db2.gz SRJCUEPSFVGBED-UHFFFAOYSA-N 0 3 277.412 2.495 10 0 CEAEHN CN[C@H](c1cncc(F)c1)C1(N(C)C)CCCC1 ZINC000091637800 180212328 /nfs/dbraw/zinc/21/23/28/180212328.db2.gz ISCZSEGBMAANDO-CYBMUJFWSA-N 0 3 251.349 2.356 10 0 CEAEHN CCn1ncnc1CC(=O)C1(N(C)C)CCCCCC1 ZINC000091653668 180216944 /nfs/dbraw/zinc/21/69/44/180216944.db2.gz HXBRSFSBBRFBMS-UHFFFAOYSA-N 0 3 278.400 2.064 10 0 CEAEHN CN[C@@H](c1ccc2ccccc2c1)[C@@H]1CN(C)CCO1 ZINC000091717571 180232201 /nfs/dbraw/zinc/23/22/01/180232201.db2.gz VCTHAAQHYGMVQP-IRXDYDNUSA-N 0 3 270.376 2.431 10 0 CEAEHN CCN[C@H](c1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718701 180233488 /nfs/dbraw/zinc/23/34/88/180233488.db2.gz LQTOVMGJAJBKDF-HZPDHXFCSA-N 0 3 262.397 2.285 10 0 CEAEHN CCN[C@H](c1cccc(C)c1C)[C@@H]1CN(C)CCO1 ZINC000091718703 180233584 /nfs/dbraw/zinc/23/35/84/180233584.db2.gz XNNBSYPMLDSLJT-JKSUJKDBSA-N 0 3 262.397 2.285 10 0 CEAEHN CN[C@H](C)c1sc([C@H]2CN3CCC[C@@H]3CO2)nc1C ZINC000091722415 180240374 /nfs/dbraw/zinc/24/03/74/180240374.db2.gz ZVPPVAMOIFYNMU-YUSALJHKSA-N 0 3 281.425 2.268 10 0 CEAEHN Cc1noc(CCNCc2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000105469789 186058509 /nfs/dbraw/zinc/05/85/09/186058509.db2.gz VWFOPPZJWQQODC-SKDRFNHKSA-N 0 3 261.325 2.427 10 0 CEAEHN O=C1C2=NNN(c3ccccc3)C2C(=O)N1C1CCCCC1 ZINC000105629287 186066241 /nfs/dbraw/zinc/06/62/41/186066241.db2.gz ZMYZMAKUZJVMIB-UONOGXRCSA-N 0 3 298.346 2.313 10 0 CEAEHN CCCNCc1ncoc1-c1cccc(S(C)(=O)=O)c1 ZINC000091958201 180292275 /nfs/dbraw/zinc/29/22/75/180292275.db2.gz HIJBWDBCFTYLDL-UHFFFAOYSA-N 0 3 294.376 2.245 10 0 CEAEHN NC[C@@H](NC(=O)N1CCCCCC1)c1ccccc1 ZINC000091971097 180295186 /nfs/dbraw/zinc/29/51/86/180295186.db2.gz SMDBVMNCWVBFBU-CQSZACIVSA-N 0 3 261.369 2.272 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)N1CCC(C)CC1 ZINC000091991350 180299942 /nfs/dbraw/zinc/29/99/42/180299942.db2.gz YNISVJSJICHWHG-UONOGXRCSA-N 0 3 267.417 2.301 10 0 CEAEHN CNCc1nc(C)ccc1OCCCOCC(F)(F)F ZINC000091994524 180301456 /nfs/dbraw/zinc/30/14/56/180301456.db2.gz WKFYJSJEBPWDMT-UHFFFAOYSA-N 0 3 292.301 2.457 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@@H](C)C(=O)N[C@@H](C)CC ZINC000091994794 180301560 /nfs/dbraw/zinc/30/15/60/180301560.db2.gz XYTQGEBCMVXICO-AAEUAGOBSA-N 0 3 293.411 2.182 10 0 CEAEHN CCCNCc1nc(C)ccc1OCCCOC ZINC000091995265 180302389 /nfs/dbraw/zinc/30/23/89/180302389.db2.gz XUZBVLHGRXNIDT-UHFFFAOYSA-N 0 3 252.358 2.305 10 0 CEAEHN Cc1ccccc1C(=O)CN1CC[C@H]2CC[C@@H](C1)N2C ZINC000092002144 180304966 /nfs/dbraw/zinc/30/49/66/180304966.db2.gz RLBZYMJEJCIDQW-CABCVRRESA-N 0 3 272.392 2.346 10 0 CEAEHN CN(c1ccccc1)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115484 180327418 /nfs/dbraw/zinc/32/74/18/180327418.db2.gz POCLNYHSZSTFPC-UHFFFAOYSA-N 0 3 294.351 2.110 10 0 CEAEHN CCNCc1ccnn1C[C@H]1COc2ccccc21 ZINC000092306713 180360622 /nfs/dbraw/zinc/36/06/22/180360622.db2.gz BGXDOSXZDGASIS-LBPRGKRZSA-N 0 3 257.337 2.169 10 0 CEAEHN COCCNCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000105852352 186078449 /nfs/dbraw/zinc/07/84/49/186078449.db2.gz AJECJEKXBATJJI-CYBMUJFWSA-N 0 3 278.396 2.223 10 0 CEAEHN CC(C)OCCCN1CCC(Nc2cccnn2)CC1 ZINC000105909949 186088655 /nfs/dbraw/zinc/08/86/55/186088655.db2.gz BCANXVJRFIADEZ-UHFFFAOYSA-N 0 3 278.400 2.168 10 0 CEAEHN Cc1cnn([C@H]2CCCN(C[C@H](O)COC(C)(C)C)C2)c1 ZINC000105923516 186090958 /nfs/dbraw/zinc/09/09/58/186090958.db2.gz MZSLGBDUESFBRE-GJZGRUSLSA-N 0 3 295.427 2.004 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)cc2)CCN1C[C@@H](C)O ZINC000106101648 186101736 /nfs/dbraw/zinc/10/17/36/186101736.db2.gz JZVFCYNWBUCZGI-CZUORRHYSA-N 0 3 280.387 2.103 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(C[C@@H]3CCCCO3)C2)c1 ZINC000105899595 186085487 /nfs/dbraw/zinc/08/54/87/186085487.db2.gz BJZZGMDOJLFALQ-CABCVRRESA-N 0 3 263.385 2.398 10 0 CEAEHN COc1cc(-c2nc(NN)cc(C(C)(C)C)n2)ccc1O ZINC000106865673 186144968 /nfs/dbraw/zinc/14/49/68/186144968.db2.gz WBJJQHZKBHKVOD-UHFFFAOYSA-N 0 3 288.351 2.441 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@H]1Sc1nc[nH]n1 ZINC000092389669 180375661 /nfs/dbraw/zinc/37/56/61/180375661.db2.gz GYLSXKYEFABFMN-CHWSQXEVSA-N 0 3 290.392 2.181 10 0 CEAEHN CCn1c(CN[C@@H](CO)C(C)C)nc2ccccc21 ZINC000092393070 180375977 /nfs/dbraw/zinc/37/59/77/180375977.db2.gz CXQOBZBESJJGHL-ZDUSSCGKSA-N 0 3 261.369 2.163 10 0 CEAEHN CCCNc1ccnc(CN2CCC[C@H]2C(=O)OCC)c1 ZINC000092418334 180381189 /nfs/dbraw/zinc/38/11/89/180381189.db2.gz UYHZQEAQRZSHSH-HNNXBMFYSA-N 0 3 291.395 2.431 10 0 CEAEHN CNc1ccnc(CSc2nnnn2-c2ccccc2)c1 ZINC000092420849 180382771 /nfs/dbraw/zinc/38/27/71/180382771.db2.gz VODVLQOSLOPMAY-UHFFFAOYSA-N 0 3 298.375 2.391 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](N1CCOC(C)(C)C1)CC2 ZINC000092385600 180374126 /nfs/dbraw/zinc/37/41/26/180374126.db2.gz QMVNIVMBBJAHJU-CVEARBPZSA-N 0 3 290.407 2.121 10 0 CEAEHN CCN[C@@H]1c2cc(OC)ccc2CC[C@H]1n1cncn1 ZINC000092386015 180374195 /nfs/dbraw/zinc/37/41/95/180374195.db2.gz HBDKNCLRJNAEAU-HUUCEWRRSA-N 0 3 272.352 2.125 10 0 CEAEHN CC(C)N(C)CCn1c2ccncc2[nH]c1=S ZINC000092514595 180399499 /nfs/dbraw/zinc/39/94/99/180399499.db2.gz FTUGXBVBTIOLJM-UHFFFAOYSA-N 0 3 250.371 2.434 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000108270532 186210040 /nfs/dbraw/zinc/21/00/40/186210040.db2.gz JQVVZQJITODOAH-LLVKDONJSA-N 0 3 291.376 2.179 10 0 CEAEHN CCC[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccccc1 ZINC000109041622 186241348 /nfs/dbraw/zinc/24/13/48/186241348.db2.gz LPKCMRAYZCWYEE-AWEZNQCLSA-N 0 3 298.452 2.445 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109093995 186243160 /nfs/dbraw/zinc/24/31/60/186243160.db2.gz RYZRXIMMWUGEHG-JHJVBQTASA-N 0 3 294.345 2.279 10 0 CEAEHN CSC[C@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000108959174 186238408 /nfs/dbraw/zinc/23/84/08/186238408.db2.gz GDRIMGYSSLVHQX-GXTWGEPZSA-N 0 3 280.437 2.405 10 0 CEAEHN CCN[C@@H](COC)Cc1nc(-c2ccc(F)cc2)no1 ZINC000109502693 186257591 /nfs/dbraw/zinc/25/75/91/186257591.db2.gz OADHSKSQSKGFEU-GFCCVEGCSA-N 0 3 279.315 2.043 10 0 CEAEHN Clc1ccc2c(c1)nccc2NC[C@@H]1COCCN1 ZINC000236051213 539803400 /nfs/dbraw/zinc/80/34/00/539803400.db2.gz UHWAJQKULJJXNA-LLVKDONJSA-N 0 3 277.755 2.289 10 0 CEAEHN CNCc1cc(OC[C@H]2CCOC2)c2ccccc2n1 ZINC000109590754 186264772 /nfs/dbraw/zinc/26/47/72/186264772.db2.gz OXZQFHLZKGFCNG-LBPRGKRZSA-N 0 3 272.348 2.370 10 0 CEAEHN CCC[N@H+](Cc1ccc(C(=O)[O-])s1)C1CCNCC1 ZINC000109601676 186266456 /nfs/dbraw/zinc/26/64/56/186266456.db2.gz OSRNJYIYJPZKAN-UHFFFAOYSA-N 0 3 282.409 2.410 10 0 CEAEHN CCC[N@@H+](Cc1ccc(C(=O)[O-])s1)C1CCNCC1 ZINC000109601676 186266458 /nfs/dbraw/zinc/26/64/58/186266458.db2.gz OSRNJYIYJPZKAN-UHFFFAOYSA-N 0 3 282.409 2.410 10 0 CEAEHN COc1cccc(NC(=S)N2CCC[C@H]2CN(C)C)c1 ZINC000109671020 186268290 /nfs/dbraw/zinc/26/82/90/186268290.db2.gz PUVVBAQDSSLRBA-ZDUSSCGKSA-N 0 3 293.436 2.418 10 0 CEAEHN CC(C)CN(CCN(C)C)Cc1c(N)cccc1F ZINC000109427684 186251303 /nfs/dbraw/zinc/25/13/03/186251303.db2.gz LTGAXRZUAJEPKY-UHFFFAOYSA-N 0 3 267.392 2.428 10 0 CEAEHN Cn1cnnc1CCNCc1cccc(C(F)(F)F)c1 ZINC000109420869 186251592 /nfs/dbraw/zinc/25/15/92/186251592.db2.gz KZGVBBJESLNPTH-UHFFFAOYSA-N 0 3 284.285 2.166 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(Cc2ccsc2)CC1 ZINC000109470151 186255046 /nfs/dbraw/zinc/25/50/46/186255046.db2.gz RFBSLLYDMXYACA-CYBMUJFWSA-N 0 3 297.493 2.321 10 0 CEAEHN Cc1cccc(-c2nc(C)cc(CNC3CC3)n2)n1 ZINC000110475770 186297852 /nfs/dbraw/zinc/29/78/52/186297852.db2.gz PIDHNAMPDZFECJ-UHFFFAOYSA-N 0 3 254.337 2.407 10 0 CEAEHN COc1cc2c(cc1F)[nH]c(=S)n2C[C@H]1CCN(C)C1 ZINC000110628575 186306253 /nfs/dbraw/zinc/30/62/53/186306253.db2.gz LTCZOFBWJHULBC-VIFPVBQESA-N 0 3 295.383 2.424 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@@H]1CCCC[C@@H]1O ZINC000110630107 186307211 /nfs/dbraw/zinc/30/72/11/186307211.db2.gz OZTGHTJSKGNJFQ-PWSUYJOCSA-N 0 3 279.315 2.242 10 0 CEAEHN COc1ccc(CNCCN(C)C)c(Cl)c1OC ZINC000110818942 186327867 /nfs/dbraw/zinc/32/78/67/186327867.db2.gz PJYUIDTYPDVDBL-UHFFFAOYSA-N 0 3 272.776 2.008 10 0 CEAEHN CCCNC(=O)COc1cc(C)ccc1[C@H](C)NC ZINC000110959564 186336239 /nfs/dbraw/zinc/33/62/39/186336239.db2.gz MIWSHKKSNHYJGX-LBPRGKRZSA-N 0 3 264.369 2.180 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1OCC(=O)NC(C)C ZINC000110959320 186336919 /nfs/dbraw/zinc/33/69/19/186336919.db2.gz GBKMZTVAVCHNOO-LBPRGKRZSA-N 0 3 264.369 2.179 10 0 CEAEHN CCNC(=O)COc1cc(C)ccc1[C@@H](C)NCC ZINC000110961371 186337857 /nfs/dbraw/zinc/33/78/57/186337857.db2.gz QTMMGYWNOFYPHD-GFCCVEGCSA-N 0 3 264.369 2.180 10 0 CEAEHN C[C@@H]1CN([C@@H](CC(N)=S)c2ccccc2)CCN1C ZINC000110719676 186315477 /nfs/dbraw/zinc/31/54/77/186315477.db2.gz GMNIGOYEDWFTFN-OCCSQVGLSA-N 0 3 277.437 2.040 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)C1(N)CCCC1 ZINC000110777796 186324130 /nfs/dbraw/zinc/32/41/30/186324130.db2.gz DHCFLONVRCCGEC-UHFFFAOYSA-N 0 3 296.392 2.443 10 0 CEAEHN CCOC(CCN1CCO[C@H]2CCCC[C@@H]21)OCC ZINC000110785387 186324771 /nfs/dbraw/zinc/32/47/71/186324771.db2.gz GFOMRJPXCLQPLE-KBPBESRZSA-N 0 3 271.401 2.419 10 0 CEAEHN CN([C@@H](CN)c1cccc(F)c1F)C1CCOCC1 ZINC000111039322 186346864 /nfs/dbraw/zinc/34/68/64/186346864.db2.gz NWNYACGFJABKLD-ZDUSSCGKSA-N 0 3 270.323 2.075 10 0 CEAEHN CCOc1cc(OC2CCN(C)CC2)ccc1N ZINC000111057906 186349626 /nfs/dbraw/zinc/34/96/26/186349626.db2.gz VQOLDSUOBZXUQR-UHFFFAOYSA-N 0 3 250.342 2.141 10 0 CEAEHN CNc1ccc(Cl)cc1C(=O)N(C)CCN(C)C ZINC000111151421 186360888 /nfs/dbraw/zinc/36/08/88/186360888.db2.gz QTOUBAABNGDOGV-UHFFFAOYSA-N 0 3 269.776 2.015 10 0 CEAEHN CCCOCCOC[C@@H](NC)c1ccc(OC)cc1 ZINC000111107904 186352629 /nfs/dbraw/zinc/35/26/29/186352629.db2.gz IJYPJNKPUKINBV-OAHLLOKOSA-N 0 3 267.369 2.399 10 0 CEAEHN CN[C@@H](c1nc2c(s1)CCC2)[C@H]1CCCOC1 ZINC000111322189 186397426 /nfs/dbraw/zinc/39/74/26/186397426.db2.gz QQDFSGAMSFGOEU-JOYOIKCWSA-N 0 3 252.383 2.319 10 0 CEAEHN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(CN)cn1 ZINC000111282017 186388698 /nfs/dbraw/zinc/38/86/98/186388698.db2.gz GMFKWSNXGPCYGE-FZMZJTMJSA-N 0 3 261.369 2.191 10 0 CEAEHN NCc1ccc(C(=O)Nc2cccc3cccnc32)nc1 ZINC000111281200 186389046 /nfs/dbraw/zinc/38/90/46/186389046.db2.gz AJOUXZCLMPLPMA-UHFFFAOYSA-N 0 3 278.315 2.341 10 0 CEAEHN CC1CCC(CNC(=O)c2ccc(CN)cn2)CC1 ZINC000111282543 186390129 /nfs/dbraw/zinc/39/01/29/186390129.db2.gz ZMCLEWHVHPVXKK-UHFFFAOYSA-N 0 3 261.369 2.096 10 0 CEAEHN COc1ccccc1C(=O)N[C@H](CN)c1ccccc1 ZINC000111364856 186405380 /nfs/dbraw/zinc/40/53/80/186405380.db2.gz KUOGUVPAZMRTRO-CQSZACIVSA-N 0 3 270.332 2.125 10 0 CEAEHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000119943865 186863967 /nfs/dbraw/zinc/86/39/67/186863967.db2.gz IUKDJZJVCCFDMF-YNEHKIRRSA-N 0 3 278.421 2.323 10 0 CEAEHN CCCC[C@H](CC)CN1CCC(=O)[C@H](C(=O)OC)C1 ZINC000070460767 363088870 /nfs/dbraw/zinc/08/88/70/363088870.db2.gz LTRLWTREJPLHDV-QWHCGFSZSA-N 0 3 269.385 2.267 10 0 CEAEHN CCC[C@H](N)C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000121875185 187002278 /nfs/dbraw/zinc/00/22/78/187002278.db2.gz KQCNPZBDCYHGEE-JTQLQIEISA-N 0 3 266.307 2.305 10 0 CEAEHN COc1ccc(F)cc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000122148135 187017756 /nfs/dbraw/zinc/01/77/56/187017756.db2.gz AQRZXPAMEXMLPC-LLVKDONJSA-N 0 3 281.331 2.002 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(Cc3cccn3C)C2)c1 ZINC000123099138 187070793 /nfs/dbraw/zinc/07/07/93/187070793.db2.gz FNTXDXLPWUKMEW-OAHLLOKOSA-N 0 3 258.369 2.367 10 0 CEAEHN C[C@H](CN[C@H](C)c1ccccc1F)N1CCOCC1 ZINC000123211604 187078130 /nfs/dbraw/zinc/07/81/30/187078130.db2.gz CPJSFUCZQLSCRQ-CHWSQXEVSA-N 0 3 266.360 2.197 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)NC1CCC(OC(C)C)CC1 ZINC000236960656 539827195 /nfs/dbraw/zinc/82/71/95/539827195.db2.gz URPLQSITBBYSFR-BLYZHGLHSA-N 0 3 270.417 2.212 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H]2CCc3ccc(C)cc32)C1 ZINC000252743079 539897246 /nfs/dbraw/zinc/89/72/46/539897246.db2.gz OTOLCCLPWSIUSG-RDJZCZTQSA-N 0 3 274.408 2.293 10 0 CEAEHN Cc1ccc([C@H](C)NC2CCN(C(=O)N(C)C)CC2)o1 ZINC000135359618 187823454 /nfs/dbraw/zinc/82/34/54/187823454.db2.gz WIWGWODQJXDEEH-LBPRGKRZSA-N 0 3 279.384 2.385 10 0 CEAEHN Cn1nccc1C1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000195502273 282861370 /nfs/dbraw/zinc/86/13/70/282861370.db2.gz GKTPETQOGUBZCI-QGZVFWFLSA-N 0 3 285.391 2.333 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(N(C)C)cc1 ZINC000152569030 188029096 /nfs/dbraw/zinc/02/90/96/188029096.db2.gz PGEKIFYTGLJSHF-OAHLLOKOSA-N 0 3 291.439 2.459 10 0 CEAEHN c1[nH]nc(-c2ccccc2)c1CN[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000153042129 188060537 /nfs/dbraw/zinc/06/05/37/188060537.db2.gz ODXWIXOBMGBNRC-ILXRZTDVSA-N 0 3 269.348 2.486 10 0 CEAEHN COCOc1ccc(OC)cc1CN[C@H]1CCCC[C@H]1O ZINC000154484616 188144849 /nfs/dbraw/zinc/14/48/49/188144849.db2.gz RNYGHCVQLXOVBH-LSDHHAIUSA-N 0 3 295.379 2.071 10 0 CEAEHN CN(C)C[C@H]1CN(CCSc2ccccc2F)CCO1 ZINC000155340422 188199729 /nfs/dbraw/zinc/19/97/29/188199729.db2.gz MISZYFINELZFFM-ZDUSSCGKSA-N 0 3 298.427 2.180 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000132220044 366128116 /nfs/dbraw/zinc/12/81/16/366128116.db2.gz RMKNVTGGTAVQBK-NEPJUHHUSA-N 0 3 296.440 2.013 10 0 CEAEHN C[C@H](NC(=O)NCCN(C)C)c1cccc(Cl)c1 ZINC000133339152 366214476 /nfs/dbraw/zinc/21/44/76/366214476.db2.gz QCXNYMQNSVIEIK-JTQLQIEISA-N 0 3 269.776 2.262 10 0 CEAEHN CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170837052 188696644 /nfs/dbraw/zinc/69/66/44/188696644.db2.gz ZCKLCBJOOAFSCS-HOTGVXAUSA-N 0 3 289.423 2.353 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000170861861 188698739 /nfs/dbraw/zinc/69/87/39/188698739.db2.gz PGAUGSZOSSNEHS-CQSZACIVSA-N 0 3 295.814 2.228 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@H](O)COC[C@H]2CCCO2)c1 ZINC000157329909 540038765 /nfs/dbraw/zinc/03/87/65/540038765.db2.gz UROGMSUESHBWKC-BHYGNILZSA-N 0 3 293.407 2.202 10 0 CEAEHN NCc1cc2ccc(Br)c(F)c2[nH]c1=O ZINC000675069618 540110376 /nfs/dbraw/zinc/11/03/76/540110376.db2.gz JIPUJRYJNCVAJW-UHFFFAOYSA-N 0 3 271.089 2.301 10 0 CEAEHN CN1C[C@@H](NCc2cccc(F)c2F)C(C)(C)C1 ZINC000675075840 540116957 /nfs/dbraw/zinc/11/69/57/540116957.db2.gz SIUPZRKGBZWROJ-GFCCVEGCSA-N 0 3 254.324 2.395 10 0 CEAEHN NC1(c2cccc(Br)c2F)CSC1 ZINC000575550167 366294219 /nfs/dbraw/zinc/29/42/19/366294219.db2.gz QCLSJWUSPWSJGC-UHFFFAOYSA-N 0 3 262.147 2.489 10 0 CEAEHN Cc1ncsc1CN(C)C[C@@H]1CCC[C@@H](O)C1 ZINC000310095956 540335986 /nfs/dbraw/zinc/33/59/86/540335986.db2.gz AKILKTVYVLHLIM-VXGBXAGGSA-N 0 3 254.399 2.434 10 0 CEAEHN C[C@@H]1C[C@H](N[C@@H](CN(C)C)c2ccccc2)[C@H](C)O1 ZINC000294945952 199265147 /nfs/dbraw/zinc/26/51/47/199265147.db2.gz AGEMJCLGJCTUOM-VRKREXBASA-N 0 3 262.397 2.445 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1nc(-c2cccs2)ns1 ZINC000236960447 370665381 /nfs/dbraw/zinc/66/53/81/370665381.db2.gz DGNYCOGFSFGOET-ZETCQYMHSA-N 0 3 282.394 2.333 10 0 CEAEHN CCC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(C)C ZINC000137742517 366548332 /nfs/dbraw/zinc/54/83/32/366548332.db2.gz LTKVHLRBZKICGI-INIZCTEOSA-N 0 3 292.423 2.474 10 0 CEAEHN CCN1CCC[C@@H](NCc2sc(C)nc2C)C1 ZINC000080694028 363679544 /nfs/dbraw/zinc/67/95/44/363679544.db2.gz WMXKGXLBVWMFAG-GFCCVEGCSA-N 0 3 253.415 2.334 10 0 CEAEHN CCOC(=O)CCCNCc1ccc(OC)cc1OC ZINC000081545131 363728795 /nfs/dbraw/zinc/72/87/95/363728795.db2.gz MOOIRBHEHWRTEG-UHFFFAOYSA-N 0 3 281.352 2.137 10 0 CEAEHN CCN1CCC[C@H]1CN(C)c1ccc(C(C)=O)cn1 ZINC000178881827 189152045 /nfs/dbraw/zinc/15/20/45/189152045.db2.gz SKLRIJJKXJPHKZ-AWEZNQCLSA-N 0 3 261.369 2.205 10 0 CEAEHN COc1ccc([C@]23CCN(C)[C@H]2CC(=O)CC3)cc1OC ZINC000000898198 361194809 /nfs/dbraw/zinc/19/48/09/361194809.db2.gz DAHIQPJTGIHDGO-IRXDYDNUSA-N 0 3 289.375 2.399 10 0 biogenic,in-vitro CEAEHN Cc1ccc2c(c1)[C@H](NC(=O)NCCN(C)C)[C@@H](C)C2 ZINC000181935658 189310358 /nfs/dbraw/zinc/31/03/58/189310358.db2.gz BRFKVIZMGVZECG-SWLSCSKDSA-N 0 3 275.396 2.089 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000237036821 370681789 /nfs/dbraw/zinc/68/17/89/370681789.db2.gz KGTUDLOPMZMHEG-AWEZNQCLSA-N 0 3 278.396 2.398 10 0 CEAEHN Cc1cc(N(C)Cc2nc[nH]n2)c2cc(F)ccc2n1 ZINC000301648684 201113322 /nfs/dbraw/zinc/11/33/22/201113322.db2.gz FEQIUEWABFEBDI-UHFFFAOYSA-N 0 3 271.299 2.437 10 0 CEAEHN Cc1cc(N(C)Cc2nnc[nH]2)c2cc(F)ccc2n1 ZINC000301648684 201113325 /nfs/dbraw/zinc/11/33/25/201113325.db2.gz FEQIUEWABFEBDI-UHFFFAOYSA-N 0 3 271.299 2.437 10 0 CEAEHN C[C@H](CN[C@H](C)c1cccc(F)c1F)N1CCOCC1 ZINC000183216508 189350232 /nfs/dbraw/zinc/35/02/32/189350232.db2.gz GUPPDTOCSBNWAH-VXGBXAGGSA-N 0 3 284.350 2.336 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](C)c1nccs1)N(C)C ZINC000183508247 189360747 /nfs/dbraw/zinc/36/07/47/189360747.db2.gz RCZRMVIQPFBWDJ-MNOVXSKESA-N 0 3 269.414 2.093 10 0 CEAEHN Cc1cnn(CCN[C@@H](C)c2cccc(CO)c2)c1 ZINC000183285090 189353580 /nfs/dbraw/zinc/35/35/80/189353580.db2.gz DMDQYWYESIGJAY-ZDUSSCGKSA-N 0 3 259.353 2.035 10 0 CEAEHN CN(C)CCNCc1ccc(Br)s1 ZINC000019264099 361524321 /nfs/dbraw/zinc/52/43/21/361524321.db2.gz VUOSSJMUXQMBEI-UHFFFAOYSA-N 0 3 263.204 2.162 10 0 CEAEHN C[C@@H](NCCN1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000020078472 361577403 /nfs/dbraw/zinc/57/74/03/361577403.db2.gz FGWWSQHPMCBTNQ-LLVKDONJSA-N 0 3 286.778 2.462 10 0 CEAEHN O[C@@]1(c2ccc(C3OCCCO3)cc2)CN2CCC1CC2 ZINC000026744658 361644736 /nfs/dbraw/zinc/64/47/36/361644736.db2.gz YXISPSZRYQWDQP-QGZVFWFLSA-N 0 3 289.375 2.035 10 0 CEAEHN O=C(CCC1CCCC1)N1CCN2CCC[C@H]2C1 ZINC000027932161 361663052 /nfs/dbraw/zinc/66/30/52/361663052.db2.gz HOQDCKRELOFZEP-AWEZNQCLSA-N 0 3 250.386 2.263 10 0 CEAEHN CN[C@@H](CN1CCOCC1)c1ccc(Br)cc1 ZINC000088241052 363885766 /nfs/dbraw/zinc/88/57/66/363885766.db2.gz JKTRQBQJXCVLAA-ZDUSSCGKSA-N 0 3 299.212 2.042 10 0 CEAEHN Cc1ccc(C(=O)N(C)C[C@@H]2CCN(C)C2)c(F)c1 ZINC000094216689 364258749 /nfs/dbraw/zinc/25/87/49/364258749.db2.gz MNBZHHJFQQKLTC-GFCCVEGCSA-N 0 3 264.344 2.158 10 0 CEAEHN O=S(=O)(C[C@H]1CCCCN1)c1nc2ccccc2s1 ZINC000095073158 364332909 /nfs/dbraw/zinc/33/29/09/364332909.db2.gz PPIOGMADCATJEO-SNVBAGLBSA-N 0 3 296.417 2.212 10 0 CEAEHN COc1ncccc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000097119735 364458183 /nfs/dbraw/zinc/45/81/83/364458183.db2.gz ANQNTSBCTFQBHP-OAHLLOKOSA-N 0 3 299.374 2.123 10 0 CEAEHN c1n[nH]cc1[C@H]1CCCCN1CCN1CCCCC1 ZINC000158163428 366854411 /nfs/dbraw/zinc/85/44/11/366854411.db2.gz UMRLDZUSXIJARI-OAHLLOKOSA-N 0 3 262.401 2.423 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)cc1F ZINC000335768412 364953966 /nfs/dbraw/zinc/95/39/66/364953966.db2.gz GKXFCISJWBAKTJ-PELKAZGASA-N 0 3 270.735 2.236 10 0 CEAEHN Cn1cc([C@@H]2CCN(CCOc3cccc(F)c3)C2)cn1 ZINC000116315747 365050039 /nfs/dbraw/zinc/05/00/39/365050039.db2.gz QKQZGXZGPKWAMF-CYBMUJFWSA-N 0 3 289.354 2.428 10 0 CEAEHN COC(=O)c1cccc(CN2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116323895 365051470 /nfs/dbraw/zinc/05/14/70/365051470.db2.gz RIBIBRMFUCSOQF-OAHLLOKOSA-N 0 3 299.374 2.196 10 0 CEAEHN COc1ccnc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000115980970 365032525 /nfs/dbraw/zinc/03/25/25/365032525.db2.gz HCCRZSWOVQUJQR-INIZCTEOSA-N 0 3 299.374 2.123 10 0 CEAEHN CCc1noc(C)c1CN1CCC[C@H]1CCCO ZINC000119213081 365236708 /nfs/dbraw/zinc/23/67/08/365236708.db2.gz XSCPHSOBHDWGOZ-LBPRGKRZSA-N 0 3 252.358 2.282 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC[C@]2(C)CCCS2)C1 ZINC000119731980 365316861 /nfs/dbraw/zinc/31/68/61/365316861.db2.gz QMRSLLARQDSMTE-OCCSQVGLSA-N 0 3 285.457 2.056 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](C)c1c(C)noc1C)N(C)C ZINC000120365993 365413574 /nfs/dbraw/zinc/41/35/74/365413574.db2.gz IBNUDDLULKJOIK-MFKMUULPSA-N 0 3 281.400 2.241 10 0 CEAEHN Cc1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)c1 ZINC000120625071 365452799 /nfs/dbraw/zinc/45/27/99/365452799.db2.gz MMLCDDJZXSFSOC-HZPDHXFCSA-N 0 3 276.424 2.190 10 0 CEAEHN Cc1cccc([C@@H](C)NC[C@H](O)COC(C)C)c1 ZINC000160215122 366984416 /nfs/dbraw/zinc/98/44/16/366984416.db2.gz DWLKHTUCKVATJL-HIFRSBDPSA-N 0 3 251.370 2.432 10 0 CEAEHN Cc1c(CNCCCN(C)C(=O)OC(C)(C)C)cnn1C ZINC000161964449 367126472 /nfs/dbraw/zinc/12/64/72/367126472.db2.gz SKTANIHFWDGQPV-UHFFFAOYSA-N 0 3 296.415 2.075 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](C)Oc1ccccc1)N(C)C ZINC000162143654 367140065 /nfs/dbraw/zinc/14/00/65/367140065.db2.gz LCKZVNSUFHVEBX-DZGCQCFKSA-N 0 3 278.396 2.300 10 0 CEAEHN CCC[C@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)N(C)C ZINC000162364767 367154436 /nfs/dbraw/zinc/15/44/36/367154436.db2.gz RATIVJFPLAOBKW-CYBMUJFWSA-N 0 3 292.358 2.049 10 0 CEAEHN C[C@@H]1CC(CNCc2cn(C(C)(C)C)nn2)C[C@@H](C)O1 ZINC000341462506 367344077 /nfs/dbraw/zinc/34/40/77/367344077.db2.gz OQSIBUOEFOTTJG-VXGBXAGGSA-N 0 3 280.416 2.326 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1cccc(F)c1F ZINC000165627340 367310798 /nfs/dbraw/zinc/31/07/98/367310798.db2.gz YCZQLZAVQUAWPG-WDEREUQCSA-N 0 3 297.349 2.371 10 0 CEAEHN Cc1cccc(N2CCN(CC3(O)CCC3)CC2)c1C ZINC000341397456 367320533 /nfs/dbraw/zinc/32/05/33/367320533.db2.gz NZVRVWMFXTZKHZ-UHFFFAOYSA-N 0 3 274.408 2.340 10 0 CEAEHN CCc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000171070586 367471473 /nfs/dbraw/zinc/47/14/73/367471473.db2.gz UNNSLKJNDDXATM-CQSZACIVSA-N 0 3 261.369 2.417 10 0 CEAEHN Cc1cc(NC(=O)N2CC[C@@H](N(C)C)C2)ccc1N(C)C ZINC000171076365 367473386 /nfs/dbraw/zinc/47/33/86/367473386.db2.gz VKNSHWVSSPFKRA-CQSZACIVSA-N 0 3 290.411 2.229 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000170863126 367434637 /nfs/dbraw/zinc/43/46/37/367434637.db2.gz RSTDWIFQHVWRQS-JTQLQIEISA-N 0 3 270.735 2.255 10 0 CEAEHN Cn1cc([C@H]2CCCN2C[C@H](O)Cc2ccccc2)cn1 ZINC000171412295 367537046 /nfs/dbraw/zinc/53/70/46/367537046.db2.gz ZCNLPTGCWNZWPX-IAGOWNOFSA-N 0 3 285.391 2.161 10 0 CEAEHN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000171779025 367613666 /nfs/dbraw/zinc/61/36/66/367613666.db2.gz YHMBWJZMYGHUEC-BBWFWOEESA-N 0 3 299.418 2.280 10 0 CEAEHN O=C(Nc1ccc2[nH]ccc2c1)N1CCN2CCC[C@H]2C1 ZINC000171892343 367634087 /nfs/dbraw/zinc/63/40/87/367634087.db2.gz IDURQWUVLNIAMK-AWEZNQCLSA-N 0 3 284.363 2.480 10 0 CEAEHN C[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1cccs1 ZINC000171898099 367635817 /nfs/dbraw/zinc/63/58/17/367635817.db2.gz WRPWMCZQIBTLSI-VXGBXAGGSA-N 0 3 279.409 2.299 10 0 CEAEHN CCc1onc(C)c1NC(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000245738644 370866987 /nfs/dbraw/zinc/86/69/87/370866987.db2.gz FYJOHMOXGNONRN-ZYHUDNBSSA-N 0 3 292.383 2.246 10 0 CEAEHN C[C@H](O)CN1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1C ZINC000245748739 370868642 /nfs/dbraw/zinc/86/86/42/370868642.db2.gz NJMJCYFPCCMBOQ-RYIMYRPNSA-N 0 3 292.398 2.226 10 0 CEAEHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000245929242 370890337 /nfs/dbraw/zinc/89/03/37/370890337.db2.gz IUKDJZJVCCFDMF-UPJWGTAASA-N 0 3 278.421 2.323 10 0 CEAEHN CCCC(O)(CCC)CNC(=O)N[C@H]1CCCN(CC)C1 ZINC000172560992 367775814 /nfs/dbraw/zinc/77/58/14/367775814.db2.gz BKPYBRIIYCJXFV-AWEZNQCLSA-N 0 3 299.459 2.101 10 0 CEAEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)C(C)C ZINC000245918575 370887132 /nfs/dbraw/zinc/88/71/32/370887132.db2.gz ZDTVYIZVQMGSDS-MCIONIFRSA-N 0 3 267.417 2.299 10 0 CEAEHN C[C@H](N[C@@H](C)c1cccs1)C(=O)NC(=O)NC(C)(C)C ZINC000172604056 367786838 /nfs/dbraw/zinc/78/68/38/367786838.db2.gz RCKLJZINDZTKNR-UWVGGRQHSA-N 0 3 297.424 2.412 10 0 CEAEHN CC[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000172641372 367793289 /nfs/dbraw/zinc/79/32/89/367793289.db2.gz OEGKSVWPVJFGEJ-QLFBSQMISA-N 0 3 279.428 2.445 10 0 CEAEHN C/C(=C\c1ccccc1)CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245803347 370876138 /nfs/dbraw/zinc/87/61/38/370876138.db2.gz YEPKEDXJSIUJIN-ZBBFWBNCSA-N 0 3 288.435 2.477 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1cccs1 ZINC000173422448 367909255 /nfs/dbraw/zinc/90/92/55/367909255.db2.gz XUKMWNRSQZCKMW-QWHCGFSZSA-N 0 3 291.420 2.465 10 0 CEAEHN CCCc1ncc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)s1 ZINC000173743882 367940283 /nfs/dbraw/zinc/94/02/83/367940283.db2.gz SFGQEPRWTABUFP-RYUDHWBXSA-N 0 3 293.436 2.404 10 0 CEAEHN C[C@@H](O)CN1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000174732440 368061147 /nfs/dbraw/zinc/06/11/47/368061147.db2.gz SJHZBMAITTVDSP-ZIAGYGMSSA-N 0 3 285.391 2.126 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nnc(-c2ccco2)o1 ZINC000175360085 368128728 /nfs/dbraw/zinc/12/87/28/368128728.db2.gz XBNWOCLPKLGGAW-LBPRGKRZSA-N 0 3 290.367 2.246 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccs1 ZINC000175027840 368090507 /nfs/dbraw/zinc/09/05/07/368090507.db2.gz ZJQKPWSVNPGEKM-VXGBXAGGSA-N 0 3 264.394 2.447 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCc1cccs1 ZINC000176367449 368229765 /nfs/dbraw/zinc/22/97/65/368229765.db2.gz ILGJZWITGGKTPD-ZDUSSCGKSA-N 0 3 295.452 2.416 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCc1cccs1 ZINC000176367433 368230188 /nfs/dbraw/zinc/23/01/88/368230188.db2.gz ILGJZWITGGKTPD-CYBMUJFWSA-N 0 3 295.452 2.416 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H]2CCc3ncnn3C2)cc1 ZINC000180590596 368388333 /nfs/dbraw/zinc/38/83/33/368388333.db2.gz UHSOJRNKMSNVBU-JSGCOSHPSA-N 0 3 256.353 2.252 10 0 CEAEHN COC[C@@H](N[C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000126039576 292844067 /nfs/dbraw/zinc/84/40/67/292844067.db2.gz MMOYKFCYNXZGNA-HZPDHXFCSA-N 0 3 262.397 2.304 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCc1ccc(O)cc1 ZINC000183488825 368629822 /nfs/dbraw/zinc/62/98/22/368629822.db2.gz LJZLSDQLVXLJEU-OAHLLOKOSA-N 0 3 292.423 2.417 10 0 CEAEHN CCn1c(C)nnc1CN[C@@H](CCO)C1CCCCC1 ZINC000183714183 368644374 /nfs/dbraw/zinc/64/43/74/368644374.db2.gz IVHJNDKMWCTAJS-AWEZNQCLSA-N 0 3 280.416 2.027 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1cncc(C)c1)CC2 ZINC000184401383 368692106 /nfs/dbraw/zinc/69/21/06/368692106.db2.gz JBXUHXLCQLAUBK-TZMCWYRMSA-N 0 3 285.395 2.210 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCCCCSC)C1 ZINC000184678904 368710691 /nfs/dbraw/zinc/71/06/91/368710691.db2.gz XSSUMDIMNSVTAF-CYBMUJFWSA-N 0 3 287.473 2.303 10 0 CEAEHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000246210323 370928168 /nfs/dbraw/zinc/92/81/68/370928168.db2.gz NRBMQDWUEXTTBD-RFQIPJPRSA-N 0 3 267.417 2.205 10 0 CEAEHN COCCN(CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@H](C)C(N)=O ZINC000246162267 370918854 /nfs/dbraw/zinc/91/88/54/370918854.db2.gz DLBNRGXZMBQQMJ-BARDWOONSA-N 0 3 284.444 2.271 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(CC[C@H]2CCOC2=O)C1 ZINC000246311484 370945372 /nfs/dbraw/zinc/94/53/72/370945372.db2.gz BVPZUJRGNDWSCA-KBPBESRZSA-N 0 3 291.395 2.036 10 0 CEAEHN C[C@H](NCc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000187120168 369105821 /nfs/dbraw/zinc/10/58/21/369105821.db2.gz DETIXCOIQLONJW-BLLLJJGKSA-N 0 3 288.391 2.253 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1Cc1nccs1 ZINC000246390210 370954707 /nfs/dbraw/zinc/95/47/07/370954707.db2.gz CCMQMJVUNSXALY-NEPJUHHUSA-N 0 3 251.399 2.202 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H]1CC[C@H](C)O1 ZINC000249078257 284163591 /nfs/dbraw/zinc/16/35/91/284163591.db2.gz MCDZTIZLYWNOKM-YTFOTSKYSA-N 0 3 281.396 2.360 10 0 CEAEHN Cc1ccnc(N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190449817 369625028 /nfs/dbraw/zinc/62/50/28/369625028.db2.gz PRBJSQPQXHSHLN-MRXNPFEDSA-N 0 3 297.406 2.138 10 0 CEAEHN C[C@H]1OCCC[C@@H]1C(=O)NCc1ccccc1CN(C)C ZINC000191159546 369686398 /nfs/dbraw/zinc/68/63/98/369686398.db2.gz JVVYSORZIXSHKF-CJNGLKHVSA-N 0 3 290.407 2.180 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)C1CC1 ZINC000193304405 369922987 /nfs/dbraw/zinc/92/29/87/369922987.db2.gz MSOFAFLAWUPBFS-DGCLKSJQSA-N 0 3 255.406 2.060 10 0 CEAEHN CC(C)CC[C@H](N)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000638020602 370246546 /nfs/dbraw/zinc/24/65/46/370246546.db2.gz JYHATARTZDVURQ-HOCLYGCPSA-N 0 3 292.423 2.471 10 0 CEAEHN Cc1cccnc1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000227361372 370369960 /nfs/dbraw/zinc/36/99/60/370369960.db2.gz IRVJNVCJQGFZFH-HUUCEWRRSA-N 0 3 259.397 2.449 10 0 CEAEHN CCOC(=O)COCCN[C@H](C)c1ccc(CC)cc1 ZINC000233682695 370520347 /nfs/dbraw/zinc/52/03/47/370520347.db2.gz YWFGBLABQXOMRQ-CYBMUJFWSA-N 0 3 279.380 2.479 10 0 CEAEHN Cc1cc(Cl)ccc1CN[C@@H]1CCCNC1=O ZINC000231746769 370491844 /nfs/dbraw/zinc/49/18/44/370491844.db2.gz AFUISQSCZHTJST-GFCCVEGCSA-N 0 3 252.745 2.017 10 0 CEAEHN CC[C@H](CC(=O)N[C@@H](CN)C(F)(F)F)C(C)(C)C ZINC000638396102 370497156 /nfs/dbraw/zinc/49/71/56/370497156.db2.gz HBLHNAYYXZFJPR-BDAKNGLRSA-N 0 3 268.323 2.455 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000236811190 370632492 /nfs/dbraw/zinc/63/24/92/370632492.db2.gz IGJXVUMNKPEWFO-CQSZACIVSA-N 0 3 289.379 2.269 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc2c(c1)CCC2 ZINC000246828981 371016789 /nfs/dbraw/zinc/01/67/89/371016789.db2.gz CSDYJENRQAEZBY-DYVFJYSZSA-N 0 3 284.403 2.484 10 0 CEAEHN C[C@H](N[C@@H](C)c1cccs1)C(=O)NC[C@H]1CCCO1 ZINC000246840942 371018258 /nfs/dbraw/zinc/01/82/58/371018258.db2.gz DKYAFTAGBYBYID-SDDRHHMPSA-N 0 3 282.409 2.082 10 0 CEAEHN Cn1cc([C@H]2CCN(C[C@@H](O)c3ccc(F)cc3)C2)cn1 ZINC000247037864 371051956 /nfs/dbraw/zinc/05/19/56/371051956.db2.gz NVGYVPOMCNUDMU-XJKSGUPXSA-N 0 3 289.354 2.082 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(F)c2)CCN1C[C@H](C)O ZINC000247808585 371142601 /nfs/dbraw/zinc/14/26/01/371142601.db2.gz UDHRJHWNQIKUSK-XJKSGUPXSA-N 0 3 280.387 2.103 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccco2)C1 ZINC000247388637 371101717 /nfs/dbraw/zinc/10/17/17/371101717.db2.gz QFSUNDNDJKRYPS-TZMCWYRMSA-N 0 3 279.384 2.150 10 0 CEAEHN CC[C@H](C(=O)OC)N1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000247455912 371110665 /nfs/dbraw/zinc/11/06/65/371110665.db2.gz ZWSOMUCAZAZOAG-UONOGXRCSA-N 0 3 291.395 2.075 10 0 CEAEHN Cc1cc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c(C)s1 ZINC000247540937 371122827 /nfs/dbraw/zinc/12/28/27/371122827.db2.gz CZEQPXLWNWBEEX-RYUDHWBXSA-N 0 3 282.453 2.252 10 0 CEAEHN CCCCc1noc(CN2CCN3CCCC[C@H]3C2)n1 ZINC000248368084 371180014 /nfs/dbraw/zinc/18/00/14/371180014.db2.gz UUHIVYGPCICDTM-ZDUSSCGKSA-N 0 3 278.400 2.082 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@H]1c1c(C)n[nH]c1C ZINC000248659504 371232663 /nfs/dbraw/zinc/23/26/63/371232663.db2.gz VGOMHHSSFZLCLU-GJZGRUSLSA-N 0 3 295.427 2.341 10 0 CEAEHN C[C@@H](CC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249818086 371364555 /nfs/dbraw/zinc/36/45/55/371364555.db2.gz DPFPWYSGAQTMLY-HOCLYGCPSA-N 0 3 272.392 2.487 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC000249614793 371348273 /nfs/dbraw/zinc/34/82/73/371348273.db2.gz YVMLLBSYTBQRCN-KBPBESRZSA-N 0 3 276.380 2.054 10 0 CEAEHN CN1CC[C@H](N)[C@H]1c1cc(Br)cs1 ZINC000250608146 371387786 /nfs/dbraw/zinc/38/77/86/371387786.db2.gz LXRMFIRUVJRACC-CBAPKCEASA-N 0 3 261.188 2.215 10 0 CEAEHN CSc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)o1 ZINC000252663486 371463207 /nfs/dbraw/zinc/46/32/07/371463207.db2.gz JRXCQFURWSMNHQ-GHMZBOCLSA-N 0 3 282.409 2.460 10 0 CEAEHN CN1CC[C@H](N)[C@H]1c1sccc1Br ZINC000252719872 371473374 /nfs/dbraw/zinc/47/33/74/371473374.db2.gz JDGQWIBTRQGDCI-YUMQZZPRSA-N 0 3 261.188 2.215 10 0 CEAEHN CCN(Cc1ccc(Cl)cc1)C(=O)C1(N)CCOCC1 ZINC000261794625 371734245 /nfs/dbraw/zinc/73/42/45/371734245.db2.gz ILEVKFHLWIDBKM-UHFFFAOYSA-N 0 3 296.798 2.196 10 0 CEAEHN Cc1c(C[S@](C)=O)cccc1NC(=O)C1(N)CCCC1 ZINC000262456640 371864540 /nfs/dbraw/zinc/86/45/40/371864540.db2.gz HVMOQAPPWZAQRI-FQEVSTJZSA-N 0 3 294.420 2.084 10 0 CEAEHN CSCC[C@@H](N)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000262717607 371900999 /nfs/dbraw/zinc/90/09/99/371900999.db2.gz WHWADGPNALMBPB-ZWNOBZJWSA-N 0 3 284.425 2.106 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCN1 ZINC000643616009 373222386 /nfs/dbraw/zinc/22/23/86/373222386.db2.gz FNICLMFSPFZZAD-AWEZNQCLSA-N 0 3 298.770 2.056 10 0 CEAEHN Clc1ccc(Cc2noc([C@H]3CNCCOC3)n2)cc1 ZINC000644512873 373503406 /nfs/dbraw/zinc/50/34/06/373503406.db2.gz HBAORHKYRGRPBX-NSHDSACASA-N 0 3 293.754 2.017 10 0 CEAEHN C[C@H]1[C@H](O)CCCN1CCOc1ccc(F)cc1 ZINC000384938580 375221989 /nfs/dbraw/zinc/22/19/89/375221989.db2.gz UBYYGJKWWBUPQL-SMDDNHRTSA-N 0 3 253.317 2.050 10 0 CEAEHN CC[N@@H+]1CC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000389294589 375301214 /nfs/dbraw/zinc/30/12/14/375301214.db2.gz YIQRHCHQHKFGML-LLVKDONJSA-N 0 3 254.761 2.229 10 0 CEAEHN CC[N@H+]1CC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000389294589 375301221 /nfs/dbraw/zinc/30/12/21/375301221.db2.gz YIQRHCHQHKFGML-LLVKDONJSA-N 0 3 254.761 2.229 10 0 CEAEHN COc1cc(CN[C@H](CC(C)C)CN(C)C)sn1 ZINC000399148313 375358401 /nfs/dbraw/zinc/35/84/01/375358401.db2.gz IIDPCPNLPSXMCN-LLVKDONJSA-N 0 3 271.430 2.218 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cccc(Cl)c1F ZINC000282342821 375461537 /nfs/dbraw/zinc/46/15/37/375461537.db2.gz MEZWOXOKOFGYEJ-KCJUWKMLSA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cccc(Br)c1 ZINC000282247109 375438880 /nfs/dbraw/zinc/43/88/80/375438880.db2.gz GKDAEHFITUJIAK-JOYOIKCWSA-N 0 3 297.196 2.206 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cc2ccccc2o1 ZINC000282281962 375446760 /nfs/dbraw/zinc/44/67/60/375446760.db2.gz IHEMWJGSNIBMFM-GWCFXTLKSA-N 0 3 258.321 2.190 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cc(Cl)cc2c1OCC2 ZINC000282279942 375447066 /nfs/dbraw/zinc/44/70/66/375447066.db2.gz IBYQTPVDTNQQOD-ZANVPECISA-N 0 3 294.782 2.032 10 0 CEAEHN Cc1c(CNC[C@@H](C)N(C)C(=O)OC(C)(C)C)cnn1C ZINC000282919551 375613215 /nfs/dbraw/zinc/61/32/15/375613215.db2.gz VVUFMJZBMSDBIS-LLVKDONJSA-N 0 3 296.415 2.074 10 0 CEAEHN COc1ccc(F)cc1CNC[C@H]1CCC[C@H]1O ZINC000291203035 377119926 /nfs/dbraw/zinc/11/99/26/377119926.db2.gz NFJHSFUEZNPZDD-ZWNOBZJWSA-N 0 3 253.317 2.085 10 0 CEAEHN C[C@H](C(=O)Nc1ccccn1)[C@H](N)c1ccccc1 ZINC000131611073 249316212 /nfs/dbraw/zinc/31/62/12/249316212.db2.gz HMBRYFWVNJHYJM-FZMZJTMJSA-N 0 3 255.321 2.356 10 0 CEAEHN C[C@H](C(=O)Nc1cccnc1)[C@H](N)c1ccccc1 ZINC000131615261 249315703 /nfs/dbraw/zinc/31/57/03/249315703.db2.gz PYFHDVLPOUIBSM-FZMZJTMJSA-N 0 3 255.321 2.356 10 0 CEAEHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([O-])ccc2F)C1 ZINC000296568506 378578397 /nfs/dbraw/zinc/57/83/97/378578397.db2.gz QGRQKRMVJRIBFT-IAQYHMDHSA-N 0 3 292.354 2.088 10 0 CEAEHN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([O-])ccc2F)C1 ZINC000296568506 378578404 /nfs/dbraw/zinc/57/84/04/378578404.db2.gz QGRQKRMVJRIBFT-IAQYHMDHSA-N 0 3 292.354 2.088 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H]1CCO[C@H]1C ZINC000300625728 379176790 /nfs/dbraw/zinc/17/67/90/379176790.db2.gz MWLFFIKNGAOCLF-CAOSSQGBSA-N 0 3 266.429 2.360 10 0 CEAEHN CCN1CC[C@H](NC(=O)c2ccccc2Br)C1 ZINC000334578577 380629170 /nfs/dbraw/zinc/62/91/70/380629170.db2.gz KCWGHQQRNDKMLW-JTQLQIEISA-N 0 3 297.196 2.273 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2ccc(Br)o2)C1 ZINC000037164952 542278589 /nfs/dbraw/zinc/27/85/89/542278589.db2.gz LNCPRWODRGKUHD-IUCAKERBSA-N 0 3 274.158 2.435 10 0 CEAEHN CNC(=O)[C@H](CC(C)C)N[C@@H]1CCc2ccccc21 ZINC000037161839 542278755 /nfs/dbraw/zinc/27/87/55/542278755.db2.gz ZCXJOGYGIYCNPM-CABCVRRESA-N 0 3 260.381 2.424 10 0 CEAEHN Cc1nccc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)n1 ZINC000182527306 542282382 /nfs/dbraw/zinc/28/23/82/542282382.db2.gz MRHGWYWRQAXSGK-ZDUSSCGKSA-N 0 3 298.390 2.035 10 0 CEAEHN CCN(C(=O)CN[C@@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000183086257 542286411 /nfs/dbraw/zinc/28/64/11/542286411.db2.gz QWWNWGNJBNGHRU-DZGCQCFKSA-N 0 3 282.428 2.325 10 0 CEAEHN CNC(=O)[C@H](NCCOc1cc(C)ccc1C)C(C)C ZINC000183633691 542293998 /nfs/dbraw/zinc/29/39/98/542293998.db2.gz QNUKYHQXPKBRDR-OAHLLOKOSA-N 0 3 278.396 2.042 10 0 CEAEHN CCN1C[C@@H](C)[C@@H](NCc2ccc(Br)o2)C1 ZINC000381296589 542351993 /nfs/dbraw/zinc/35/19/93/542351993.db2.gz GQZNTNRRUXMGFN-KOLCDFICSA-N 0 3 287.201 2.472 10 0 CEAEHN O=[S@@](c1nc2ccccc2s1)[C@@H]1CCCNC1 ZINC000095073403 285191047 /nfs/dbraw/zinc/19/10/47/285191047.db2.gz HXWQBTKEXFOXKE-XLFHBGCDSA-N 0 3 266.391 2.156 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)N1CCCCCC1 ZINC000245465127 285274788 /nfs/dbraw/zinc/27/47/88/285274788.db2.gz IHWWLASPJNBARJ-CVEARBPZSA-N 0 3 295.471 2.194 10 0 CEAEHN CCN[C@@H](C)CS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081946514 177907541 /nfs/dbraw/zinc/90/75/41/177907541.db2.gz JZTPJUBRQSKORK-QMMMGPOBSA-N 0 3 279.764 2.251 10 0 CEAEHN CC(C)(CNCc1c[nH]c2ccccc12)S(C)(=O)=O ZINC000093521087 184687363 /nfs/dbraw/zinc/68/73/63/184687363.db2.gz ZNEXTLJTIIYHMM-UHFFFAOYSA-N 0 3 280.393 2.081 10 0 CEAEHN CCCN[C@H](c1ccco1)[C@H]1CN(CC)CCO1 ZINC000093915272 184742202 /nfs/dbraw/zinc/74/22/02/184742202.db2.gz XHITVRUBOFPKJZ-ZIAGYGMSSA-N 0 3 252.358 2.041 10 0 CEAEHN CCNCc1c(C)nc(-c2ccc(F)cn2)nc1C ZINC000094050848 184752588 /nfs/dbraw/zinc/75/25/88/184752588.db2.gz GBHDOAUIIXKODE-UHFFFAOYSA-N 0 3 260.316 2.404 10 0 CEAEHN CCN[C@@H](C(OCC)OCC)[C@@H]1CCc2cccnc21 ZINC000094138868 184756060 /nfs/dbraw/zinc/75/60/60/184756060.db2.gz QRMSEINUNVLYAL-UKRRQHHQSA-N 0 3 278.396 2.489 10 0 CEAEHN CC[C@](C)(N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000094234682 184767604 /nfs/dbraw/zinc/76/76/04/184767604.db2.gz GFQXOOLPJDKLOG-ZDUSSCGKSA-N 0 3 254.761 2.426 10 0 CEAEHN CCOc1cc(NC(=O)[C@@](C)(N)CC)ccc1OC ZINC000094233668 184767859 /nfs/dbraw/zinc/76/78/59/184767859.db2.gz OTRSLCSHOGNPNM-AWEZNQCLSA-N 0 3 266.341 2.160 10 0 CEAEHN CCC(N)(CC)C(=O)Nc1cc(OC)ccc1OC ZINC000094243487 184769353 /nfs/dbraw/zinc/76/93/53/184769353.db2.gz CVPSDNWFHJSDSL-UHFFFAOYSA-N 0 3 266.341 2.160 10 0 CEAEHN c1cc(CNC2CC2)nc([C@@H]2CSCCS2)n1 ZINC000094500082 184810284 /nfs/dbraw/zinc/81/02/84/184810284.db2.gz JMAJUVISGGWYRN-NSHDSACASA-N 0 3 267.423 2.250 10 0 CEAEHN CCN(Cc1cccc(C)n1)[C@@H](CN)c1cccnc1 ZINC000094910947 184891023 /nfs/dbraw/zinc/89/10/23/184891023.db2.gz UTBHATQCWVSSNF-INIZCTEOSA-N 0 3 270.380 2.307 10 0 CEAEHN Cc1ccc2c(c1)CCCN2c1cnc(CN)cn1 ZINC000071177751 134960605 /nfs/dbraw/zinc/96/06/05/134960605.db2.gz SITLKPRJUGFBFU-UHFFFAOYSA-N 0 3 254.337 2.328 10 0 CEAEHN CCOc1ccc(OCC)c(N2CCN[C@@H](C)C2)c1 ZINC000086123638 135039261 /nfs/dbraw/zinc/03/92/61/135039261.db2.gz HLMJOQMZSRKCKF-LBPRGKRZSA-N 0 3 264.369 2.282 10 0 CEAEHN CC(C)(C)NCc1cc(N2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000090907707 135066749 /nfs/dbraw/zinc/06/67/49/135066749.db2.gz OKPIMRQAQWSFEI-GASCZTMLSA-N 0 3 275.396 2.337 10 0 CEAEHN CC(C)NCc1cncc(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC000091421867 135070021 /nfs/dbraw/zinc/07/00/21/135070021.db2.gz ULMLAGRMAABGRC-VXGBXAGGSA-N 0 3 280.441 2.305 10 0 CEAEHN C[C@@H]1Cc2ccccc2N(C[C@@H]2Cc3nc[nH]c3CN2)C1 ZINC000092799444 135077701 /nfs/dbraw/zinc/07/77/01/135077701.db2.gz CTJAYLPWBKGVAN-OCCSQVGLSA-N 0 3 282.391 2.123 10 0 CEAEHN NCc1c(F)cccc1N1CCO[C@@H]2CCCC[C@@H]21 ZINC000093395392 135080420 /nfs/dbraw/zinc/08/04/20/135080420.db2.gz WOCFSEUYZSKKGU-LSDHHAIUSA-N 0 3 264.344 2.432 10 0 CEAEHN CN(C)[C@H](CN)c1cc(F)cc(Br)c1 ZINC000306205307 394514669 /nfs/dbraw/zinc/51/46/69/394514669.db2.gz ONQZQGHEOWGRRZ-SNVBAGLBSA-N 0 3 261.138 2.150 10 0 CEAEHN CCCN1CCC[C@]2(C1)c1cc(Cl)cnc1NC2=O ZINC000033995419 394492609 /nfs/dbraw/zinc/49/26/09/394492609.db2.gz MAKZFDMSRISZQJ-AWEZNQCLSA-N 0 3 279.771 2.431 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000247545163 394532244 /nfs/dbraw/zinc/53/22/44/394532244.db2.gz DKVFBWRLWPERIN-RVKKMQEKSA-N 0 3 288.435 2.451 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2nc(C)c(C)s2)C1 ZINC000049210944 394543287 /nfs/dbraw/zinc/54/32/87/394543287.db2.gz BBUDEYYPRFPFGG-LLVKDONJSA-N 0 3 282.413 2.366 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCC(=O)OC(C)(C)C ZINC000134760512 394958745 /nfs/dbraw/zinc/95/87/45/394958745.db2.gz OVAZRVCOITZEIH-ZIAGYGMSSA-N 0 3 282.428 2.277 10 0 CEAEHN Cc1cnc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000177029340 395145317 /nfs/dbraw/zinc/14/53/17/395145317.db2.gz CDTGVDCZMCBCNL-ONGXEEELSA-N 0 3 282.413 2.302 10 0 CEAEHN C[C@@H](CCc1cccc(F)c1)N1CCO[C@H](CN(C)C)C1 ZINC000182923465 395249441 /nfs/dbraw/zinc/24/94/41/395249441.db2.gz XVIUBGVOCPUGIO-WMLDXEAASA-N 0 3 294.414 2.409 10 0 CEAEHN CC1=CCC[C@H](C)[C@H]1CN1CCO[C@H](CN(C)C)C1 ZINC000186417088 395290468 /nfs/dbraw/zinc/29/04/68/395290468.db2.gz QRSGFNURBZLDDG-XHSDSOJGSA-N 0 3 266.429 2.241 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1ccc(O)c(OC)c1 ZINC000195175736 395461344 /nfs/dbraw/zinc/46/13/44/395461344.db2.gz MGKMBIGLCHTUJS-CQSZACIVSA-N 0 3 297.395 2.010 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@]1(C)CCCS1)N(C)C ZINC000154212746 289138487 /nfs/dbraw/zinc/13/84/87/289138487.db2.gz XPEDZQSHIOEJJK-WCQYABFASA-N 0 3 258.431 2.119 10 0 CEAEHN O[C@@H]1CCC[C@H](CN2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000385294392 400521871 /nfs/dbraw/zinc/52/18/71/400521871.db2.gz QFMLICMZYWCZHM-XGUBFFRZSA-N 0 3 253.386 2.181 10 0 CEAEHN Cc1cccc(CCCN2CCCNC(=O)[C@H]2C)c1 ZINC000189324458 153089960 /nfs/dbraw/zinc/08/99/60/153089960.db2.gz CHUWZYIUALFQEG-CQSZACIVSA-N 0 3 260.381 2.138 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(O)c1)CC2 ZINC000194921824 153271799 /nfs/dbraw/zinc/27/17/99/153271799.db2.gz QRKNFFVJZOZUEM-WCQYABFASA-N 0 3 286.379 2.212 10 0 CEAEHN O=C(c1cccc2ncccc21)N1CCN2CCC[C@@H]2C1 ZINC000195325946 153281515 /nfs/dbraw/zinc/28/15/15/153281515.db2.gz KNDVYYITAKWWBS-CYBMUJFWSA-N 0 3 281.359 2.155 10 0 CEAEHN O=C(Cc1ccccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000195310393 153282591 /nfs/dbraw/zinc/28/25/91/153282591.db2.gz HCAIRMHCJADTNS-ZDUSSCGKSA-N 0 3 278.783 2.189 10 0 CEAEHN CCc1ccsc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000195337345 153286081 /nfs/dbraw/zinc/28/60/81/153286081.db2.gz HYMJMVJXOKYSPZ-LBPRGKRZSA-N 0 3 264.394 2.231 10 0 CEAEHN CCOCCN1CCC(c2cnn(CC)c2)CC1 ZINC000195513066 153292274 /nfs/dbraw/zinc/29/22/74/153292274.db2.gz CTNPUAIDPXODLI-UHFFFAOYSA-N 0 3 251.374 2.119 10 0 CEAEHN COC(=O)c1occc1CN1CCC(c2ccn[nH]2)CC1 ZINC000195505428 153294162 /nfs/dbraw/zinc/29/41/62/153294162.db2.gz INTIWJGCPZRGLH-UHFFFAOYSA-N 0 3 289.335 2.169 10 0 CEAEHN COc1ccc(F)cc1CN1CC[C@H](CCO)C1 ZINC000227569855 153346008 /nfs/dbraw/zinc/34/60/08/153346008.db2.gz VHONYLXDISNFTB-LLVKDONJSA-N 0 3 253.317 2.039 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCC[C@H](C)O)c1C ZINC000228028478 153356176 /nfs/dbraw/zinc/35/61/76/153356176.db2.gz IBTJYUKCKHCEJF-QWRGUYRKSA-N 0 3 253.390 2.331 10 0 CEAEHN CCCn1ccc(CNCCC(=O)NC(C)(C)C)c1 ZINC000228335713 153364066 /nfs/dbraw/zinc/36/40/66/153364066.db2.gz AGUNXWOCSINHIU-UHFFFAOYSA-N 0 3 265.401 2.293 10 0 CEAEHN CCCn1ccc(CNCC[C@H](C)[S@@](C)=O)c1 ZINC000229790522 153375785 /nfs/dbraw/zinc/37/57/85/153375785.db2.gz IWXBJAFETFIGGP-YVEFUNNKSA-N 0 3 256.415 2.145 10 0 CEAEHN Cc1c2ccccc2oc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263208271 154034043 /nfs/dbraw/zinc/03/40/43/154034043.db2.gz JYOYVGWOLSQOHP-GFCCVEGCSA-N 0 3 298.346 2.367 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2ccc(Cl)cc2F)n1 ZINC000263219415 154037388 /nfs/dbraw/zinc/03/73/88/154037388.db2.gz LPEITXZTGILANQ-NSHDSACASA-N 0 3 296.733 2.105 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@@H]1c1nc([C@H]2CNCCN2C)no1 ZINC000263221718 154037419 /nfs/dbraw/zinc/03/74/19/154037419.db2.gz LZTACJUSLGQESE-SOUVJXGZSA-N 0 3 298.390 2.225 10 0 CEAEHN C[C@@H](Cc1nc([C@H]2CNCCN2C)no1)C1CCCCC1 ZINC000263234245 154040110 /nfs/dbraw/zinc/04/01/10/154040110.db2.gz NTRYTSJVPPULPR-GXTWGEPZSA-N 0 3 292.427 2.405 10 0 CEAEHN CCc1sc(-c2nc([C@@H]3CNCCN3C)no2)cc1C ZINC000263285393 154048393 /nfs/dbraw/zinc/04/83/93/154048393.db2.gz UXWFFANWTJLUBB-JTQLQIEISA-N 0 3 292.408 2.245 10 0 CEAEHN C[C@H](NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263521889 154112436 /nfs/dbraw/zinc/11/24/36/154112436.db2.gz RIGNRKJDKVYFEA-QGLTVNCISA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H](NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263521889 154112442 /nfs/dbraw/zinc/11/24/42/154112442.db2.gz RIGNRKJDKVYFEA-QGLTVNCISA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H]([NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263521889 154112448 /nfs/dbraw/zinc/11/24/48/154112448.db2.gz RIGNRKJDKVYFEA-QGLTVNCISA-N 0 3 280.412 2.092 10 0 CEAEHN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCN2CCC[C@H]2C1 ZINC000246726471 304393161 /nfs/dbraw/zinc/39/31/61/304393161.db2.gz MMIYZGMMDMFVOH-VDZJLULYSA-N 0 3 296.414 2.197 10 0 CEAEHN CCN(C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)C(C)C ZINC000131816649 162298625 /nfs/dbraw/zinc/29/86/25/162298625.db2.gz VXTQMFLDVCVPHO-QWHCGFSZSA-N 0 3 255.406 2.155 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000248852461 287045683 /nfs/dbraw/zinc/04/56/83/287045683.db2.gz HQDRZBDKGISHRK-QKGCVVFFSA-N 0 3 282.428 2.037 10 0 CEAEHN C[C@@H](N[C@@H]1CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000219241220 287061084 /nfs/dbraw/zinc/06/10/84/287061084.db2.gz HJTKKSLWKPQDJG-ZYHUDNBSSA-N 0 3 285.434 2.246 10 0 CEAEHN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCO[C@H](CN(C)C)C1 ZINC000175205220 165129813 /nfs/dbraw/zinc/12/98/13/165129813.db2.gz BHXUUDYOCMRESD-QWHCGFSZSA-N 0 3 295.427 2.296 10 0 CEAEHN CO[C@H](C)c1nc(CN2CCN3CCC[C@@H]3C2)cs1 ZINC000175206810 165131115 /nfs/dbraw/zinc/13/11/15/165131115.db2.gz NPKFHWDZTMYHAF-DGCLKSJQSA-N 0 3 281.425 2.131 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCC2(C(C)C)CC2)C1 ZINC000175594630 165141825 /nfs/dbraw/zinc/14/18/25/165141825.db2.gz ARUPCYXCIFDSAJ-CYBMUJFWSA-N 0 3 267.417 2.206 10 0 CEAEHN CCC(CC)NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000177312998 165193282 /nfs/dbraw/zinc/19/32/82/165193282.db2.gz RQAXZSRPEHQMSX-ZDUSSCGKSA-N 0 3 255.406 2.301 10 0 CEAEHN COC(=O)C(CN)(c1ccccc1)c1ccccc1 ZINC000005354123 170088907 /nfs/dbraw/zinc/08/89/07/170088907.db2.gz WMORSACVHKFRPI-UHFFFAOYSA-N 0 3 255.317 2.104 10 0 CEAEHN COc1ccc([C@@H](N)CN2CCCCCC2=O)cc1OC ZINC000019399111 170784253 /nfs/dbraw/zinc/78/42/53/170784253.db2.gz ALWIYZZTEXYDCP-ZDUSSCGKSA-N 0 3 292.379 2.106 10 0 CEAEHN CN(C)C[C@H](NCc1ccncc1)c1ccccc1 ZINC000020129287 171017555 /nfs/dbraw/zinc/01/75/55/171017555.db2.gz LJKVBNITQXWTSM-INIZCTEOSA-N 0 3 255.365 2.474 10 0 CEAEHN COc1cccc([C@@H](CN)N(C)CC2CC2)c1OC ZINC000020226680 171091606 /nfs/dbraw/zinc/09/16/06/171091606.db2.gz DQCZCVDHZJKPRD-CYBMUJFWSA-N 0 3 264.369 2.045 10 0 CEAEHN NC[C@@H](c1ccc(Cl)cc1)N1CCSCC1 ZINC000020257082 171111795 /nfs/dbraw/zinc/11/17/95/171111795.db2.gz VNXJHTICRGIKSW-LBPRGKRZSA-N 0 3 256.802 2.389 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)Nc2c(F)cccc2F)N1 ZINC000020476458 171221226 /nfs/dbraw/zinc/22/12/26/171221226.db2.gz DMIUAXBLJKIJDK-KCJUWKMLSA-N 0 3 254.280 2.434 10 0 CEAEHN C[C@H](OC(C)(C)C)C(=O)Nc1ccccc1CN ZINC000020508666 171229553 /nfs/dbraw/zinc/22/95/53/171229553.db2.gz DPIBMODJLQAYIP-JTQLQIEISA-N 0 3 250.342 2.287 10 0 CEAEHN CCCC1N=NC(=S)N1C[C@@H]1CCCN1CC ZINC000020590100 171260941 /nfs/dbraw/zinc/26/09/41/171260941.db2.gz UFAYNMWQOYFFSC-JTQLQIEISA-N 0 3 254.403 2.004 10 0 CEAEHN C[C@@H](N)c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000021516889 171313250 /nfs/dbraw/zinc/31/32/50/171313250.db2.gz YQNZLJMBNMRCAM-VXGBXAGGSA-N 0 3 282.409 2.127 10 0 CEAEHN NCc1cccc(NC(=O)Cc2ccc(F)cc2)c1 ZINC000022165166 171365333 /nfs/dbraw/zinc/36/53/33/171365333.db2.gz SLLVYWMZXKRZGI-UHFFFAOYSA-N 0 3 258.296 2.466 10 0 CEAEHN CC(C)N(C)[C@H](C)C(=O)Nc1ccc(F)cc1N ZINC000022168935 171367203 /nfs/dbraw/zinc/36/72/03/171367203.db2.gz DWKUNKRHOPMIHB-SECBINFHSA-N 0 3 253.321 2.075 10 0 CEAEHN C[C@@H](NS(=O)(=O)c1ccccc1CN)c1ccccc1 ZINC000022212397 171374051 /nfs/dbraw/zinc/37/40/51/171374051.db2.gz MUAJMRPQIMFYNI-GFCCVEGCSA-N 0 3 290.388 2.185 10 0 CEAEHN COc1ccc(C)cc1CN[C@H]1CN2CCC1CC2 ZINC000035165286 172027107 /nfs/dbraw/zinc/02/71/07/172027107.db2.gz VSZNXHSFADHVIM-HNNXBMFYSA-N 0 3 260.381 2.187 10 0 CEAEHN N[C@@H](Cc1ncc[nH]1)c1ccc(Br)s1 ZINC000035382280 172164657 /nfs/dbraw/zinc/16/46/57/172164657.db2.gz ZZSWEVDBCBXFRX-LURJTMIESA-N 0 3 272.171 2.476 10 0 CEAEHN Cc1ccc([C@@H](N)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000035382339 172165080 /nfs/dbraw/zinc/16/50/80/172165080.db2.gz KXHAHKVDLSRZQI-AWEZNQCLSA-N 0 3 274.345 2.436 10 0 CEAEHN CN[C@H](c1cnn(C)c1)c1ccc(Br)cc1 ZINC000035500323 172234237 /nfs/dbraw/zinc/23/42/37/172234237.db2.gz UAILBYUYTNWEHF-LBPRGKRZSA-N 0 3 280.169 2.491 10 0 CEAEHN C[C@H](O)c1ccc(N2CCCN(C)CC2)c(F)c1 ZINC000035631490 172313552 /nfs/dbraw/zinc/31/35/52/172313552.db2.gz TTYUZJCCSXXIKR-NSHDSACASA-N 0 3 252.333 2.021 10 0 CEAEHN C[C@@H](NC(=O)c1cccc(CN)c1)c1ccccn1 ZINC000035694387 172362753 /nfs/dbraw/zinc/36/27/53/172362753.db2.gz YAEMIFXOKUFTCM-LLVKDONJSA-N 0 3 255.321 2.031 10 0 CEAEHN CCOC(=O)NC[C@H](c1ccc(OC)cc1)N(C)C ZINC000036078683 172433420 /nfs/dbraw/zinc/43/34/20/172433420.db2.gz GJLOCWYKMGWMRJ-CYBMUJFWSA-N 0 3 266.341 2.044 10 0 CEAEHN C[C@H](C1CC1)N(C)c1nc2sccn2c1CN ZINC000036786017 172703008 /nfs/dbraw/zinc/70/30/08/172703008.db2.gz VFLBZENWDXTTAT-MRVPVSSYSA-N 0 3 250.371 2.089 10 0 CEAEHN CCN[C@H](C)c1ccccc1OCC(=O)N(C)CC ZINC000037223113 173044120 /nfs/dbraw/zinc/04/41/20/173044120.db2.gz FGCLJMWVXJKMEY-GFCCVEGCSA-N 0 3 264.369 2.214 10 0 CEAEHN N[C@H](c1cnn(-c2ccccc2)c1)c1cccnc1 ZINC000037308917 173112027 /nfs/dbraw/zinc/11/20/27/173112027.db2.gz FRXQWQKSFKRYAG-HNNXBMFYSA-N 0 3 250.305 2.315 10 0 CEAEHN Cc1ncsc1[C@H](C)N[C@@H](C)Cn1cccn1 ZINC000037320051 173119709 /nfs/dbraw/zinc/11/97/09/173119709.db2.gz WVEAFRLQYJVVIZ-ONGXEEELSA-N 0 3 250.371 2.387 10 0 CEAEHN COC(=O)c1ccccc1CNC[C@H](C)N1CCCCC1 ZINC000038028970 174018329 /nfs/dbraw/zinc/01/83/29/174018329.db2.gz NJAOOUAOJAYACU-AWEZNQCLSA-N 0 3 290.407 2.437 10 0 CEAEHN CCn1c2ccccc2nc1CN[C@@H]1CN2CCC1CC2 ZINC000038046616 174054922 /nfs/dbraw/zinc/05/49/22/174054922.db2.gz RFQWVIWLLLPAKY-OAHLLOKOSA-N 0 3 284.407 2.240 10 0 CEAEHN CCOc1ccc([C@@](C)(N[C@@H](C)CC)C(N)=O)cc1 ZINC000038065535 174076129 /nfs/dbraw/zinc/07/61/29/174076129.db2.gz WQURQEBPGUJGLL-XHDPSFHLSA-N 0 3 264.369 2.174 10 0 CEAEHN CC[C@H](C)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000038065675 174076566 /nfs/dbraw/zinc/07/65/66/174076566.db2.gz VHFZWFXJVZSBQP-TVQRCGJNSA-N 0 3 254.761 2.429 10 0 CEAEHN C[C@H]1c2ccsc2CCN1C(=O)[C@](C)(N)C1CC1 ZINC000038100930 174116270 /nfs/dbraw/zinc/11/62/70/174116270.db2.gz XCZBAWWPPJUPSK-LKFCYVNXSA-N 0 3 264.394 2.321 10 0 CEAEHN Cc1cccc(CC[C@@H](C)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000040500419 174297075 /nfs/dbraw/zinc/29/70/75/174297075.db2.gz SFMVAZJAZXUPNF-HIFRSBDPSA-N 0 3 281.421 2.093 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2ccc(N)cc2Cl)C1 ZINC000040501642 174298525 /nfs/dbraw/zinc/29/85/25/174298525.db2.gz UKTJMORDLHNRMS-NSHDSACASA-N 0 3 281.787 2.136 10 0 CEAEHN Cc1cc(C)c(C(N)=S)c(OCCN2CCCCC2)n1 ZINC000040515028 174306350 /nfs/dbraw/zinc/30/63/50/174306350.db2.gz ORTPJXDKRFCYKA-UHFFFAOYSA-N 0 3 293.436 2.197 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519101 174308463 /nfs/dbraw/zinc/30/84/63/174308463.db2.gz UQULMPPOCQELNV-WCBMZHEXSA-N 0 3 255.387 2.065 10 0 CEAEHN CCCC[C@H](N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519130 174308641 /nfs/dbraw/zinc/30/86/41/174308641.db2.gz HGHOVURMLSKXOO-ONGXEEELSA-N 0 3 269.414 2.455 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2cccc(OCC(C)C)c2)C1 ZINC000040634208 174360551 /nfs/dbraw/zinc/36/05/51/174360551.db2.gz NYZJWIWLFXMHSA-GJZGRUSLSA-N 0 3 292.379 2.037 10 0 CEAEHN CCOC1CCN(C[C@H](N)c2ccc(OC)cc2)CC1 ZINC000040689274 174376536 /nfs/dbraw/zinc/37/65/36/174376536.db2.gz RRXADBPGZYYKDZ-INIZCTEOSA-N 0 3 278.396 2.196 10 0 CEAEHN CC(C)(N)c1cn(Cc2coc(-c3ccccc3)n2)nn1 ZINC000070118541 414765656 /nfs/dbraw/zinc/76/56/56/414765656.db2.gz QUJBMSVINGSXDP-UHFFFAOYSA-N 0 3 283.335 2.175 10 0 CEAEHN Cc1ccccc1CCC(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662980567 414816795 /nfs/dbraw/zinc/81/67/95/414816795.db2.gz QDINUHMTKVEQGM-GFCCVEGCSA-N 0 3 288.313 2.276 10 0 CEAEHN Cc1cc(F)ccc1C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662985686 414819229 /nfs/dbraw/zinc/81/92/29/414819229.db2.gz YDUXPHUQCRFNCG-JTQLQIEISA-N 0 3 278.249 2.096 10 0 CEAEHN CCN1CCC[C@@H](NCc2nccn2C(C)C)C1 ZINC000657326031 414860460 /nfs/dbraw/zinc/86/04/60/414860460.db2.gz RMXCZUCHERDAAS-CYBMUJFWSA-N 0 3 250.390 2.038 10 0 CEAEHN OCC1CC(NCc2cc(F)cc(Br)c2)C1 ZINC000657810742 415089731 /nfs/dbraw/zinc/08/97/31/415089731.db2.gz JWXUEZJLRPYEBI-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN COc1c(CNC[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)nn1C ZINC000657657869 415037651 /nfs/dbraw/zinc/03/76/51/415037651.db2.gz UOFXVCITTWGLSJ-AGIUHOORSA-N 0 3 263.385 2.263 10 0 CEAEHN CCN(CC)C(=O)CN(C)[C@H](c1ccccc1C)[C@@H](C)N ZINC000043036635 174951519 /nfs/dbraw/zinc/95/15/19/174951519.db2.gz VIYXKHCWTJANNO-PBHICJAKSA-N 0 3 291.439 2.184 10 0 CEAEHN CC[C@@H](N)[C@H](c1cccs1)N(CC)CC(=O)NC(C)C ZINC000043105937 174970912 /nfs/dbraw/zinc/97/09/12/174970912.db2.gz QOAQGHWEZGYJFZ-IUODEOHRSA-N 0 3 297.468 2.373 10 0 CEAEHN Cc1cc(C)c([C@H](N)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000043300047 175000956 /nfs/dbraw/zinc/00/09/56/175000956.db2.gz SILVORKIXSAGPU-GXTWGEPZSA-N 0 3 267.394 2.046 10 0 CEAEHN N[C@@H](c1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300099 175000986 /nfs/dbraw/zinc/00/09/86/175000986.db2.gz NYOMCMGAZKVQRF-WRWORJQWSA-N 0 3 294.203 2.428 10 0 CEAEHN N[C@H](c1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300052 175001012 /nfs/dbraw/zinc/00/10/12/175001012.db2.gz BWXAKJMVYKPOHV-CPCISQLKSA-N 0 3 294.203 2.428 10 0 CEAEHN CN[C@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300432 175001141 /nfs/dbraw/zinc/00/11/41/175001141.db2.gz RAZZOQBGZGTOBA-ZYHUDNBSSA-N 0 3 273.785 2.035 10 0 CEAEHN CCN[C@H](c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300904 175001535 /nfs/dbraw/zinc/00/15/35/175001535.db2.gz VJXJDYLEOJEYAQ-ZFWWWQNUSA-N 0 3 281.421 2.389 10 0 CEAEHN CCN[C@@H](c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300823 175001656 /nfs/dbraw/zinc/00/16/56/175001656.db2.gz WABGGBONWWRVRT-GWCFXTLKSA-N 0 3 289.347 2.050 10 0 CEAEHN CCN[C@@H](c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300901 175001792 /nfs/dbraw/zinc/00/17/92/175001792.db2.gz VJXJDYLEOJEYAQ-UKRRQHHQSA-N 0 3 281.421 2.389 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301394 175002184 /nfs/dbraw/zinc/00/21/84/175002184.db2.gz IDIHXFJSUGHKSF-UKRRQHHQSA-N 0 3 297.420 2.171 10 0 CEAEHN CCCN[C@@H](c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301251 175002196 /nfs/dbraw/zinc/00/21/96/175002196.db2.gz REJYIUZJSWPQDX-SMDDNHRTSA-N 0 3 285.384 2.301 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000043335723 175011189 /nfs/dbraw/zinc/01/11/89/175011189.db2.gz HJOMVIMIMILCNJ-OBJOEFQTSA-N 0 3 252.358 2.169 10 0 CEAEHN NC[C@H](Sc1nnc2n1CCCCC2)c1ccco1 ZINC000043338206 175012540 /nfs/dbraw/zinc/01/25/40/175012540.db2.gz OAYUAEMNIHAOGC-NSHDSACASA-N 0 3 278.381 2.390 10 0 CEAEHN NC[C@H](Oc1ccc(F)cc1F)c1ccccn1 ZINC000043341750 175015367 /nfs/dbraw/zinc/01/53/67/175015367.db2.gz IEVCCDUZPIMKPB-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN NC[C@@H](OCc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355672 175023227 /nfs/dbraw/zinc/02/32/27/175023227.db2.gz PLXPWVBADIXKCM-OAHLLOKOSA-N 0 3 272.304 2.027 10 0 CEAEHN CCN[C@@H](CN1CCN(C)CC1)c1cc2ccccc2o1 ZINC000043810849 175110509 /nfs/dbraw/zinc/11/05/09/175110509.db2.gz HHPJOUHMRSURNW-HNNXBMFYSA-N 0 3 287.407 2.331 10 0 CEAEHN CN[C@H](CN(C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000043813202 175110811 /nfs/dbraw/zinc/11/08/11/175110811.db2.gz KTYCYYQCVSKEAY-CYBMUJFWSA-N 0 3 266.385 2.305 10 0 CEAEHN CN[C@@H](CN1CCOC(C)(C)C1)c1cc(C)ccc1OC ZINC000043897715 175120319 /nfs/dbraw/zinc/12/03/19/175120319.db2.gz DASQZUKTHYMVML-HNNXBMFYSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN[C@H](CN(C)CCOC)c1ccccc1OCC ZINC000043915980 175125154 /nfs/dbraw/zinc/12/51/54/175125154.db2.gz ARKFAXSJUXHWDT-OAHLLOKOSA-N 0 3 280.412 2.314 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N(CC)CCOC ZINC000043968702 175129674 /nfs/dbraw/zinc/12/96/74/175129674.db2.gz LZOIUMZTSKXZFN-HOCLYGCPSA-N 0 3 278.396 2.067 10 0 CEAEHN C[C@@H]1C[C@H](C)CN([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044113773 175141142 /nfs/dbraw/zinc/14/11/42/175141142.db2.gz BTWVWUFBRRLAKJ-FIRUKDTASA-N 0 3 261.365 2.459 10 0 CEAEHN Cc1ccc(NC(=O)[C@@H](CN)Cc2ccccc2)nc1 ZINC000044799276 175255433 /nfs/dbraw/zinc/25/54/33/175255433.db2.gz PZXZQVXMGDKKOJ-CQSZACIVSA-N 0 3 269.348 2.146 10 0 CEAEHN CCN(C(=O)[C@H]1CCCCN1)c1cccc(F)c1 ZINC000044880538 175269387 /nfs/dbraw/zinc/26/93/87/175269387.db2.gz CABJHBBVSYDHBQ-CYBMUJFWSA-N 0 3 250.317 2.321 10 0 CEAEHN O=S(=O)(Nc1ccc2ccccc2c1)[C@H]1CCCNC1 ZINC000044881424 175269856 /nfs/dbraw/zinc/26/98/56/175269856.db2.gz BITPYZUGEHIGRE-HNNXBMFYSA-N 0 3 290.388 2.334 10 0 CEAEHN CNC(=O)CCN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000044988893 175285557 /nfs/dbraw/zinc/28/55/57/175285557.db2.gz BMOOBVRUKAYZHC-SNVBAGLBSA-N 0 3 276.336 2.228 10 0 CEAEHN CSCC[C@H](N)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000045088397 175304057 /nfs/dbraw/zinc/30/40/57/175304057.db2.gz YEAASVGQFAWLFF-QWHCGFSZSA-N 0 3 270.442 2.248 10 0 CEAEHN COc1nc2sccn2c1CN[C@H]1CC1(C)C ZINC000045117339 175311435 /nfs/dbraw/zinc/31/14/35/175311435.db2.gz FQJFTRVNKARBPF-VIFPVBQESA-N 0 3 251.355 2.293 10 0 CEAEHN CCCCN(CC)C[C@@](C)(NCCC)C(=O)OCC ZINC000045223304 175331559 /nfs/dbraw/zinc/33/15/59/175331559.db2.gz FOBFMTKDXZHAPI-OAHLLOKOSA-N 0 3 272.433 2.430 10 0 CEAEHN CCCN[C@](C)(CCN1CCCCC1)C(=O)OCC ZINC000045230123 175334283 /nfs/dbraw/zinc/33/42/83/175334283.db2.gz VYXRCAZRFJCZBK-OAHLLOKOSA-N 0 3 270.417 2.184 10 0 CEAEHN COC(=O)[C@@](N)(CN(C)C1CCCCC1)c1ccccc1 ZINC000045231060 175334692 /nfs/dbraw/zinc/33/46/92/175334692.db2.gz DZHJPYIMYLXTQK-QGZVFWFLSA-N 0 3 290.407 2.278 10 0 CEAEHN CCCN[C@](C)(CN1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231795 175335603 /nfs/dbraw/zinc/33/56/03/175335603.db2.gz LXFMOCCIWZLESK-KCQAQPDRSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCN(CC)C[C@@](NC(C)C)(C(N)=O)c1ccccc1 ZINC000045267475 175339992 /nfs/dbraw/zinc/33/99/92/175339992.db2.gz RBTWOVVXIXBMKA-KRWDZBQOSA-N 0 3 291.439 2.097 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)[C@@H](C)C1CC1)NC(C)C ZINC000045270276 175341535 /nfs/dbraw/zinc/34/15/35/175341535.db2.gz GUYAHRFHNLVLLF-SWLSCSKDSA-N 0 3 270.417 2.037 10 0 CEAEHN CCN(C[C@@](C)(NC(C)C)C(N)=O)c1cccc(C)c1 ZINC000045273194 175344018 /nfs/dbraw/zinc/34/40/18/175344018.db2.gz KKZHKQDJKDILIY-MRXNPFEDSA-N 0 3 277.412 2.063 10 0 CEAEHN COC(=O)[C@](C)(CN(C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045274750 175344774 /nfs/dbraw/zinc/34/47/74/175344774.db2.gz RNGHKOBMZVERMF-NHYWBVRUSA-N 0 3 270.417 2.037 10 0 CEAEHN CCN[C@](C)(CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280578 175349991 /nfs/dbraw/zinc/34/99/91/175349991.db2.gz VMHYBTRIJUNUTO-SSDMNJCBSA-N 0 3 270.417 2.340 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280578 175349993 /nfs/dbraw/zinc/34/99/93/175349993.db2.gz VMHYBTRIJUNUTO-SSDMNJCBSA-N 0 3 270.417 2.340 10 0 CEAEHN CC[NH2+][C@](C)(CCN(C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280578 175349994 /nfs/dbraw/zinc/34/99/94/175349994.db2.gz VMHYBTRIJUNUTO-SSDMNJCBSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@](C)(CCN1CCC(CC)CC1)C(=O)OC ZINC000045281460 175352879 /nfs/dbraw/zinc/35/28/79/175352879.db2.gz AHVFGOQIMWWIIB-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCN[C@H](CN(C)C(CC)CC)C(=O)OCC ZINC000045391296 175374435 /nfs/dbraw/zinc/37/44/35/175374435.db2.gz PRPSKULBQQNXGU-CYBMUJFWSA-N 0 3 258.406 2.038 10 0 CEAEHN C[C@]1(C(=O)N2CCC[C@H](OC3CCC3)C2)CCCCN1 ZINC000655494616 415305477 /nfs/dbraw/zinc/30/54/77/415305477.db2.gz DUNXDJKTZRMLCX-GOEBONIOSA-N 0 3 280.412 2.079 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2C[C@]2(C)OC)c1C ZINC000658333416 415322267 /nfs/dbraw/zinc/32/22/67/415322267.db2.gz YGEJIJCTKIKSOZ-BHYNMZESSA-N 0 3 251.374 2.348 10 0 CEAEHN COc1ccc([C@@H](C)NC2CC(CO)C2)c(OC)c1 ZINC000658351547 415334484 /nfs/dbraw/zinc/33/44/84/415334484.db2.gz NVHTYYJDRDONTN-VOMCLLRMSA-N 0 3 265.353 2.125 10 0 CEAEHN CC(C)NCc1cc2c(cc1O[C@@H]1CCOC1)OCO2 ZINC000070941811 176015468 /nfs/dbraw/zinc/01/54/68/176015468.db2.gz OUMAJFBDPRUZCX-GFCCVEGCSA-N 0 3 279.336 2.081 10 0 CEAEHN CCN[C@@H]1CCN(c2cccc3ccc(C)nc32)C1=O ZINC000071031461 176023149 /nfs/dbraw/zinc/02/31/49/176023149.db2.gz OIJNZJQMPDIDCF-CYBMUJFWSA-N 0 3 269.348 2.258 10 0 CEAEHN CCN[C@H]1CCCN(c2nc(CC)c(C)s2)C1=O ZINC000071032266 176023406 /nfs/dbraw/zinc/02/34/06/176023406.db2.gz BDKKUOVVEWDMSK-NSHDSACASA-N 0 3 267.398 2.119 10 0 CEAEHN Cc1cc([C@@H](C)N2CC[C@@H](NC3CC3)C2=O)c(C)o1 ZINC000071035191 176024700 /nfs/dbraw/zinc/02/47/00/176024700.db2.gz JYYOFJADCNFFCR-QMTHXVAHSA-N 0 3 262.353 2.310 10 0 CEAEHN COc1ccc(Cl)cc1N1CC[C@@H](NC2CC2)C1=O ZINC000071035966 176025219 /nfs/dbraw/zinc/02/52/19/176025219.db2.gz DOSKPXFMIQZYLT-LLVKDONJSA-N 0 3 280.755 2.206 10 0 CEAEHN COc1ccc(N2CC[C@@H](NC(C)C)C2=O)cc1C ZINC000071035442 176025497 /nfs/dbraw/zinc/02/54/97/176025497.db2.gz JKJMOYZQVOJEIH-CYBMUJFWSA-N 0 3 262.353 2.107 10 0 CEAEHN C[C@H](Cc1ccsc1)N1CC[C@H](NC2CC2)C1=O ZINC000071035408 176025535 /nfs/dbraw/zinc/02/55/35/176025535.db2.gz XZCPCOYCSGJWLA-MFKMUULPSA-N 0 3 264.394 2.032 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc2ncccc2c1 ZINC000071042562 176028445 /nfs/dbraw/zinc/02/84/45/176028445.db2.gz IWGBFOPUMXUCEE-OAHLLOKOSA-N 0 3 267.332 2.092 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(C)C)CCC[C@@H](CC)C1 ZINC000071126007 176035699 /nfs/dbraw/zinc/03/56/99/176035699.db2.gz WSGUIIVJCYAPIS-HIFRSBDPSA-N 0 3 270.417 2.040 10 0 CEAEHN CC[C@H]1CCC[C@H](Oc2c(C(=N)N)c(C)nn2C)C1 ZINC000071132591 176036051 /nfs/dbraw/zinc/03/60/51/176036051.db2.gz GQCHEKSCPPSZIQ-QWRGUYRKSA-N 0 3 264.373 2.360 10 0 CEAEHN COc1cc(OC)cc(OCc2cccnc2CN)c1 ZINC000071138406 176037185 /nfs/dbraw/zinc/03/71/85/176037185.db2.gz BHXZZGXSEQQXCK-UHFFFAOYSA-N 0 3 274.320 2.137 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2Br)C1 ZINC000071140003 176038569 /nfs/dbraw/zinc/03/85/69/176038569.db2.gz WGOLBRPYCJIWID-SNVBAGLBSA-N 0 3 297.196 2.225 10 0 CEAEHN CN1CC[C@@H](Oc2c(Cl)cc(Cl)cc2CN)C1=O ZINC000071183005 176057912 /nfs/dbraw/zinc/05/79/12/176057912.db2.gz YPBVBDRQNGJFNU-SNVBAGLBSA-N 0 3 289.162 2.062 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)C(=O)c1cccc2[nH]ccc21 ZINC000071192953 176074793 /nfs/dbraw/zinc/07/47/93/176074793.db2.gz VVPYRBAWTFNMAI-LBPRGKRZSA-N 0 3 271.364 2.192 10 0 CEAEHN CCOC(=O)c1ncsc1NC[C@@H]1CCCN1CC ZINC000071201779 176078345 /nfs/dbraw/zinc/07/83/45/176078345.db2.gz VPHLABJUPUEWMS-JTQLQIEISA-N 0 3 283.397 2.216 10 0 CEAEHN C[C@@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1F ZINC000071207298 176080947 /nfs/dbraw/zinc/08/09/47/176080947.db2.gz YFUSXMJCEMMTCM-NOZJJQNGSA-N 0 3 250.317 2.203 10 0 CEAEHN CCN(Cc1ccc(F)cc1C(N)=S)C[C@H]1CCCO1 ZINC000071265953 176099217 /nfs/dbraw/zinc/09/92/17/176099217.db2.gz OGYCGZXPPLSJRX-CYBMUJFWSA-N 0 3 296.411 2.461 10 0 CEAEHN COC[C@H](O)CN[C@H](c1ccccc1)c1ccc(O)cc1 ZINC000071267603 176100864 /nfs/dbraw/zinc/10/08/64/176100864.db2.gz ZUVYUKYCJGJNPD-IAGOWNOFSA-N 0 3 287.359 2.079 10 0 CEAEHN C[C@@H]1CCC[C@](CO)(NCc2cnn3ccccc23)C1 ZINC000071373518 176139036 /nfs/dbraw/zinc/13/90/36/176139036.db2.gz RHXKPJJDJTUWNT-CJNGLKHVSA-N 0 3 273.380 2.365 10 0 CEAEHN CNCc1cc(C)ccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000071403652 176154773 /nfs/dbraw/zinc/15/47/73/176154773.db2.gz IXJQYJBVXCMFFT-GFCCVEGCSA-N 0 3 278.396 2.396 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1ccc(C)cc1CNC ZINC000071403528 176155046 /nfs/dbraw/zinc/15/50/46/176155046.db2.gz NVWPXQQAWBSZPI-NSHDSACASA-N 0 3 251.326 2.045 10 0 CEAEHN CCNCc1cc(C)ccc1OCC(=O)N(CC)CC ZINC000071406092 176156005 /nfs/dbraw/zinc/15/60/05/176156005.db2.gz INUIFUYFROFLFC-UHFFFAOYSA-N 0 3 278.396 2.352 10 0 CEAEHN Cc1ccncc1NC(=O)C[C@@H](N)c1ccccc1 ZINC000071414230 176159467 /nfs/dbraw/zinc/15/94/67/176159467.db2.gz ROXMCXWUDOIIMT-CYBMUJFWSA-N 0 3 255.321 2.419 10 0 CEAEHN OCCC[C@@H]1CCCN1Cc1cnc2ccccc2n1 ZINC000659871821 415751306 /nfs/dbraw/zinc/75/13/06/415751306.db2.gz XHLUECWWWRGGCF-AWEZNQCLSA-N 0 3 271.364 2.367 10 0 CEAEHN C[C@]1(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)CCCCN1 ZINC000662664721 415924338 /nfs/dbraw/zinc/92/43/38/415924338.db2.gz GANPOMAKUFDNPF-RMRHIDDWSA-N 0 3 250.386 2.071 10 0 CEAEHN Cc1ccc(S(=O)(=O)C[C@H](N)C(C)C)c(C)c1 ZINC000076301294 176974075 /nfs/dbraw/zinc/97/40/75/176974075.db2.gz INKFWAJRXMXRSB-LBPRGKRZSA-N 0 3 255.383 2.060 10 0 CEAEHN CC(C)CCN(Cc1ccc(F)cc1)C(=O)CN ZINC000076656763 177046131 /nfs/dbraw/zinc/04/61/31/177046131.db2.gz LDXMCKCQVJUIRL-UHFFFAOYSA-N 0 3 252.333 2.159 10 0 CEAEHN CNCc1cn2cc(C)cc(Br)c2n1 ZINC000076792230 177097181 /nfs/dbraw/zinc/09/71/81/177097181.db2.gz VVADRXRWUXJJEZ-UHFFFAOYSA-N 0 3 254.131 2.125 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc(F)cc2)C1 ZINC000078516203 177349095 /nfs/dbraw/zinc/34/90/95/177349095.db2.gz SLRXYEDUQIFFMQ-SWLSCSKDSA-N 0 3 266.360 2.197 10 0 CEAEHN CCC[C@H]1CCCN(S(=O)(=O)CCNC(C)C)CC1 ZINC000079358252 177471845 /nfs/dbraw/zinc/47/18/45/177471845.db2.gz VGYPCASISDDJSG-AWEZNQCLSA-N 0 3 290.473 2.216 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)c2ccc(F)cc2)C1 ZINC000194170096 270293588 /nfs/dbraw/zinc/29/35/88/270293588.db2.gz FRXQLKQGPITULV-ZDUSSCGKSA-N 0 3 279.359 2.456 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000194310831 270295895 /nfs/dbraw/zinc/29/58/95/270295895.db2.gz FNYRKSALSWHLPD-GFCCVEGCSA-N 0 3 291.351 2.021 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2ccc(C)o2)C1 ZINC000194288867 270295930 /nfs/dbraw/zinc/29/59/30/270295930.db2.gz GLQOXBGQAFEHKF-ZDUSSCGKSA-N 0 3 279.384 2.214 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1ccc(F)cc1F ZINC000398966827 270365088 /nfs/dbraw/zinc/36/50/88/270365088.db2.gz RSZOKINVRHZIAX-SDBXPKJASA-N 0 3 268.307 2.269 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@H](N)C2CCC2)cc1F ZINC000399226586 270368072 /nfs/dbraw/zinc/36/80/72/270368072.db2.gz NFLGORKTYXZJKE-IINYFYTJSA-N 0 3 264.344 2.439 10 0 CEAEHN CCC[C@]1(C)CCCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261619982 276293176 /nfs/dbraw/zinc/29/31/76/276293176.db2.gz CDDDQMCTLNEOAG-GOEBONIOSA-N 0 3 282.428 2.169 10 0 CEAEHN CN1c2ccccc2[C@@H](N[C@H]2CCSC2)CC1=O ZINC000222144343 277218442 /nfs/dbraw/zinc/21/84/42/277218442.db2.gz REEIYJODKBKYLC-JQWIXIFHSA-N 0 3 262.378 2.189 10 0 CEAEHN C[C@@H]1CCC[C@@H](CNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000227694679 277706400 /nfs/dbraw/zinc/70/64/00/277706400.db2.gz LQJPWZZJVWPVOS-UMVBOHGHSA-N 0 3 252.402 2.461 10 0 CEAEHN CC1(C)Cc2occc2[C@@H](N[C@@H]2CCc3ncnn3C2)C1 ZINC000180601122 278399505 /nfs/dbraw/zinc/39/95/05/278399505.db2.gz XHGTZWKCFURLOO-YPMHNXCESA-N 0 3 286.379 2.489 10 0 CEAEHN Cc1ccc2c(c1)OCCC[C@H]2NC[C@@H]1CN(C)CCO1 ZINC000180495647 278880633 /nfs/dbraw/zinc/88/06/33/278880633.db2.gz CCNLBRBOQNWMMC-GDBMZVCRSA-N 0 3 290.407 2.129 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000263524102 279060306 /nfs/dbraw/zinc/06/03/06/279060306.db2.gz SMDSJUHKIRHQJK-UMIUCAKVSA-N 0 3 282.428 2.338 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246149721 279299289 /nfs/dbraw/zinc/29/92/89/279299289.db2.gz QFIWUNJSIDHIPT-UONOGXRCSA-N 0 3 297.443 2.070 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(CC(C)C)C1CC1 ZINC000177710238 279300961 /nfs/dbraw/zinc/30/09/61/279300961.db2.gz IKLDVDVRERSUQI-MRXNPFEDSA-N 0 3 295.471 2.050 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000175361598 279301206 /nfs/dbraw/zinc/30/12/06/279301206.db2.gz DELMPPCBUJBNRK-ARFHVFGLSA-N 0 3 295.471 2.097 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)CSCC(F)(F)F)C1 ZINC000245582779 280251764 /nfs/dbraw/zinc/25/17/64/280251764.db2.gz KFMJHOPPGQYFAV-VHSXEESVSA-N 0 3 298.374 2.127 10 0 CEAEHN CCCC[C@H](N[C@H]1CN(C(C)C)C[C@H]1C)C(=O)OC ZINC000245695828 280256676 /nfs/dbraw/zinc/25/66/76/280256676.db2.gz MPYGOUJOSWTRTQ-RDBSUJKOSA-N 0 3 270.417 2.037 10 0 CEAEHN COc1c(CN2CC[C@@H](C)[C@@H](C)C2)c(C)nn1C ZINC000245737167 280258893 /nfs/dbraw/zinc/25/88/93/280258893.db2.gz LCSLJTOOMKDJNB-MNOVXSKESA-N 0 3 251.374 2.215 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000246104217 280274054 /nfs/dbraw/zinc/27/40/54/280274054.db2.gz QJXLNFMRDHLERF-MCIONIFRSA-N 0 3 279.428 2.301 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@@]1(C)CCCS1 ZINC000246657649 280305428 /nfs/dbraw/zinc/30/54/28/280305428.db2.gz PSPTZDXYOQNJIA-DZGCQCFKSA-N 0 3 299.484 2.398 10 0 CEAEHN CC[C@@H]1CCC[C@H](CN2CCCNC(=O)[C@H]2C)C1 ZINC000248888994 280371982 /nfs/dbraw/zinc/37/19/82/280371982.db2.gz APCDDKVIRLGGHW-MCIONIFRSA-N 0 3 252.402 2.413 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCS[C@H](C)CC2)C1 ZINC000249075591 280382717 /nfs/dbraw/zinc/38/27/17/280382717.db2.gz RAIMNUQCXURKCB-MCIONIFRSA-N 0 3 299.484 2.252 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000253550676 280456596 /nfs/dbraw/zinc/45/65/96/280456596.db2.gz WCILARVLOHDUJG-KFWWJZLASA-N 0 3 284.444 2.427 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H]1CCCCO1 ZINC000083704317 288293911 /nfs/dbraw/zinc/29/39/11/288293911.db2.gz IYLCHNUOHQDQHL-KFWWJZLASA-N 0 3 252.402 2.114 10 0 CEAEHN CCC[C@H](C(=O)N(CC)Cc1ccccn1)N(C)C ZINC000152676651 289095706 /nfs/dbraw/zinc/09/57/06/289095706.db2.gz CINIPDFGPMLOKO-CQSZACIVSA-N 0 3 263.385 2.160 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2C)C1 ZINC000153863867 289124991 /nfs/dbraw/zinc/12/49/91/289124991.db2.gz YNCFDLWDOKWWGW-MRXNPFEDSA-N 0 3 260.381 2.404 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000155319998 289171250 /nfs/dbraw/zinc/17/12/50/289171250.db2.gz LDBMBOAWLYPURK-SOUVJXGZSA-N 0 3 294.439 2.180 10 0 CEAEHN Cc1occc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155739761 289181709 /nfs/dbraw/zinc/18/17/09/289181709.db2.gz FSLKTTGCVYYYEN-GWCFXTLKSA-N 0 3 250.342 2.047 10 0 CEAEHN Clc1nc(Cl)nc(NCCN2CCCCC2)n1 ZINC000061518772 527003007 /nfs/dbraw/zinc/00/30/07/527003007.db2.gz ZLPWBJHMXVSTMB-UHFFFAOYSA-N 0 3 276.171 2.076 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC000180335435 312766384 /nfs/dbraw/zinc/76/63/84/312766384.db2.gz FTZMNAFQJSIGBN-HNNXBMFYSA-N 0 3 285.391 2.263 10 0 CEAEHN Cc1cccc(CCN2C[C@@H]3CCCCN3C[C@@H]2C)n1 ZINC000576460711 314277768 /nfs/dbraw/zinc/27/77/68/314277768.db2.gz BIXZRSWHLWPBIO-RDJZCZTQSA-N 0 3 273.424 2.491 10 0 CEAEHN CCOC(=O)[C@@]12CCO[C@H]1CCN(Cc1ccccc1)C2 ZINC000536956948 330383266 /nfs/dbraw/zinc/38/32/66/330383266.db2.gz BDWBZNRNEVGYGS-DOTOQJQBSA-N 0 3 289.375 2.231 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000061293453 519906394 /nfs/dbraw/zinc/90/63/94/519906394.db2.gz CRWGVAJEJIHKKO-UHFFFAOYSA-N 0 3 281.331 2.111 10 0 CEAEHN CCCNCc1ccoc1CN(CCOC)[C@H](C)COC ZINC000052572317 519960522 /nfs/dbraw/zinc/96/05/22/519960522.db2.gz UZMRZJLWYKLLJJ-CQSZACIVSA-N 0 3 298.427 2.263 10 0 CEAEHN CCNCc1cc(CN(CCOC)[C@@H](C)COC)c(C)o1 ZINC000052572445 519987329 /nfs/dbraw/zinc/98/73/29/519987329.db2.gz UYWSSUCZBYEBMS-ZDUSSCGKSA-N 0 3 298.427 2.181 10 0 CEAEHN CCNCc1cc(Cl)ccc1O[C@H](CC)C(N)=O ZINC000061675737 519989747 /nfs/dbraw/zinc/98/97/47/519989747.db2.gz ZKYXSIWMRBZSQQ-LLVKDONJSA-N 0 3 270.760 2.092 10 0 CEAEHN CCC[NH2+][C@@H](CCN1CCCC[C@@H]1CC)C(=O)[O-] ZINC000062446142 519997735 /nfs/dbraw/zinc/99/77/35/519997735.db2.gz HBWFIAWIRXMYQF-STQMWFEESA-N 0 3 256.390 2.094 10 0 CEAEHN CCNCc1cnn(Cc2ccc(F)cc2F)c1 ZINC000054719342 520017141 /nfs/dbraw/zinc/01/71/41/520017141.db2.gz ITNRTPAJOHZDOJ-UHFFFAOYSA-N 0 3 251.280 2.319 10 0 CEAEHN CCCN[C@](C)(CN1CCCC(C)(C)C1)C(=O)OC ZINC000069516721 520107104 /nfs/dbraw/zinc/10/71/04/520107104.db2.gz WPTQCOZNZNHLFX-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCNc1cc(C(=O)NC[C@H](C)N(C)C)cc(Cl)n1 ZINC000050779996 520130859 /nfs/dbraw/zinc/13/08/59/520130859.db2.gz HEJBGCLWISDSQD-JTQLQIEISA-N 0 3 298.818 2.237 10 0 CEAEHN CCCCCNC(=O)[C@H](C)N[C@@H](C)CN1CCCCC1 ZINC000049501560 520218716 /nfs/dbraw/zinc/21/87/16/520218716.db2.gz NGNCTXQWBCEUSW-GJZGRUSLSA-N 0 3 283.460 2.145 10 0 CEAEHN CCNc1ncccc1CN(CCCO)C(C)C ZINC000052731229 520376091 /nfs/dbraw/zinc/37/60/91/520376091.db2.gz XHQMKXIILJMXDD-UHFFFAOYSA-N 0 3 251.374 2.106 10 0 CEAEHN CCCC[C@@H](C)N[C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000050888007 521012210 /nfs/dbraw/zinc/01/22/10/521012210.db2.gz ROTKLAZVDSKPCF-DGCLKSJQSA-N 0 3 266.385 2.225 10 0 CEAEHN CCCc1nc(N(CCOC)C2CC2)sc1CN ZINC000055000263 521531023 /nfs/dbraw/zinc/53/10/23/521531023.db2.gz DZHFVORANBDKOR-UHFFFAOYSA-N 0 3 269.414 2.170 10 0 CEAEHN CCCN(CC)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069098090 521612516 /nfs/dbraw/zinc/61/25/16/521612516.db2.gz ZNSUQZSIBPVFTQ-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CC[C@@H](C)CN(C)Cc1cccnc1C(N)=S ZINC000061659713 521969438 /nfs/dbraw/zinc/96/94/38/521969438.db2.gz DCVYJYKPMIJDMP-SNVBAGLBSA-N 0 3 251.399 2.194 10 0 CEAEHN CNCc1oc(CN(C)[C@@H]2CCSC2)cc1C ZINC000052453722 522160446 /nfs/dbraw/zinc/16/04/46/522160446.db2.gz WILHUPBKHCIUNB-LLVKDONJSA-N 0 3 254.399 2.245 10 0 CEAEHN C[C@H]1CN(CC2(O)CCC2)CCN1Cc1ccccc1 ZINC000411118451 533919230 /nfs/dbraw/zinc/91/92/30/533919230.db2.gz XJEKBCQPZVPZPI-HNNXBMFYSA-N 0 3 274.408 2.108 10 0 CEAEHN Brc1cccc(OCCN2CCCC2)n1 ZINC000069017199 518222998 /nfs/dbraw/zinc/22/29/98/518222998.db2.gz NIVQNXJDTKWSAP-UHFFFAOYSA-N 0 3 271.158 2.319 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCC(=O)Nc1ccc(F)cc1 ZINC000049555993 519340273 /nfs/dbraw/zinc/34/02/73/519340273.db2.gz ZNCJYKPJYUXPGU-OAHLLOKOSA-N 0 3 295.402 2.330 10 0 CEAEHN CC(C)Cn1ccnc(Oc2cccc(F)c2CN)c1=O ZINC000061770690 519522080 /nfs/dbraw/zinc/52/20/80/519522080.db2.gz WFACJDPPORQCLG-UHFFFAOYSA-N 0 3 291.326 2.289 10 0 CEAEHN CC(C)N1C(=O)C[C@H](N)[C@H]1c1ccc(Br)o1 ZINC000062209543 519666471 /nfs/dbraw/zinc/66/64/71/519666471.db2.gz VJPUOEXGCOEXEL-CPCISQLKSA-N 0 3 287.157 2.051 10 0 CEAEHN CC(C)N[C@@H](CS[C@H]1CCC[C@@H](C)C1)C(N)=O ZINC000054695502 519735362 /nfs/dbraw/zinc/73/53/62/519735362.db2.gz XHBFSJIJSYZINU-WOPDTQHZSA-N 0 3 258.431 2.150 10 0 CEAEHN CC(C)OC(=O)COc1cc(F)ccc1[C@@H](C)N ZINC000062745116 519747504 /nfs/dbraw/zinc/74/75/04/519747504.db2.gz RAMVSBSVAJIUMS-SECBINFHSA-N 0 3 255.289 2.176 10 0 CEAEHN CC(C)CNCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000062742435 519748761 /nfs/dbraw/zinc/74/87/61/519748761.db2.gz VPRFXHFLXHDVHR-UHFFFAOYSA-N 0 3 261.325 2.080 10 0 CEAEHN CC(C)CNCc1nnnn1-c1cc(Cl)ccc1F ZINC000054745077 519748955 /nfs/dbraw/zinc/74/89/55/519748955.db2.gz VMIGXMQEHBZBDS-UHFFFAOYSA-N 0 3 283.738 2.200 10 0 CEAEHN CC(C)CNCc1occc1CN1CCOC[C@H]1C ZINC000052476112 519749343 /nfs/dbraw/zinc/74/93/43/519749343.db2.gz QJSXBYXEHNEXDE-CYBMUJFWSA-N 0 3 266.385 2.246 10 0 CEAEHN CC(C)[C@H]1CCC(=O)[C@@H](CN2CCCN(C)CC2)C1 ZINC000054558924 519824444 /nfs/dbraw/zinc/82/44/44/519824444.db2.gz HWOLBIPKWAHBQD-LSDHHAIUSA-N 0 3 266.429 2.265 10 0 CEAEHN CCCN1CCN(C[C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560746 519858721 /nfs/dbraw/zinc/85/87/21/519858721.db2.gz IBWGPDYDGLAFML-BBWFWOEESA-N 0 3 282.472 2.447 10 0 CEAEHN CCCC1CCN(C[C@](C)(NCC)C(=O)OCC)CC1 ZINC000050905655 519902285 /nfs/dbraw/zinc/90/22/85/519902285.db2.gz TZPKETCWJYSJJL-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(OCC)cc1 ZINC000061278666 519907344 /nfs/dbraw/zinc/90/73/44/519907344.db2.gz UFGQOKIRBGMDQO-UHFFFAOYSA-N 0 3 250.342 2.412 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000061290141 519907543 /nfs/dbraw/zinc/90/75/43/519907543.db2.gz NEMSAIFYCIQOFA-UHFFFAOYSA-N 0 3 286.379 2.258 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1nc(C2CC2)cs1 ZINC000061299058 519907947 /nfs/dbraw/zinc/90/79/47/519907947.db2.gz PPMSLIWCQBTFLF-UHFFFAOYSA-N 0 3 253.371 2.347 10 0 CEAEHN CCCNCc1c(Cl)cccc1N1CC[C@H](O)C1 ZINC000061711288 519942400 /nfs/dbraw/zinc/94/24/00/519942400.db2.gz KCGPUWMYJBZZDH-NSHDSACASA-N 0 3 268.788 2.411 10 0 CEAEHN CCCNCc1c(Cl)cccc1N1CC[C@@H](O)C1 ZINC000061711289 519942920 /nfs/dbraw/zinc/94/29/20/519942920.db2.gz KCGPUWMYJBZZDH-LLVKDONJSA-N 0 3 268.788 2.411 10 0 CEAEHN CCCNCc1nc(COCCCOC)cs1 ZINC000052597396 519968496 /nfs/dbraw/zinc/96/84/96/519968496.db2.gz RALFIVRTUXGMEQ-UHFFFAOYSA-N 0 3 258.387 2.196 10 0 CEAEHN CCCNCc1occc1COC[C@@H]1CCOC1 ZINC000052704387 519972617 /nfs/dbraw/zinc/97/26/17/519972617.db2.gz CRWNJXLLYDRVOK-GFCCVEGCSA-N 0 3 253.342 2.332 10 0 CEAEHN CCNCc1cc(CN(CCCOC)CCOC)c(C)o1 ZINC000052543316 519988762 /nfs/dbraw/zinc/98/87/62/519988762.db2.gz YKYVUXROUKPLGV-UHFFFAOYSA-N 0 3 298.427 2.182 10 0 CEAEHN CCNCc1cc(CN2CCO[C@@H](CC)C2)c(C)o1 ZINC000052477368 519990839 /nfs/dbraw/zinc/99/08/39/519990839.db2.gz NECSHBUSUFYGPF-AWEZNQCLSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OCC(=O)N(C)C ZINC000062747447 520063586 /nfs/dbraw/zinc/06/35/86/520063586.db2.gz FXQOORNCZUGPFR-LLVKDONJSA-N 0 3 282.359 2.353 10 0 CEAEHN CCN[C@@H](C)c1cnc(N(C)C2CCOCC2)s1 ZINC000054904620 520079955 /nfs/dbraw/zinc/07/99/55/520079955.db2.gz ZHVAFJXWGPZWSR-JTQLQIEISA-N 0 3 269.414 2.429 10 0 CEAEHN CCCN[C@H](Cc1nc(C)cs1)c1ccnn1C ZINC000069467887 520088604 /nfs/dbraw/zinc/08/86/04/520088604.db2.gz LWATXKAFVDKDCC-LLVKDONJSA-N 0 3 264.398 2.468 10 0 CEAEHN CCCN[C@H](Cc1nc(C)cs1)c1nccn1C ZINC000069473816 520088625 /nfs/dbraw/zinc/08/86/25/520088625.db2.gz UGCVJGRWZPBBID-LLVKDONJSA-N 0 3 264.398 2.468 10 0 CEAEHN CCN[C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCCO1 ZINC000050962042 520112063 /nfs/dbraw/zinc/11/20/63/520112063.db2.gz XMPGRSYTIQOFJD-KBPBESRZSA-N 0 3 275.352 2.076 10 0 CEAEHN CCCCCC[C@@H](C)N[C@@H]1CC(=O)N(CC)C1=O ZINC000049200060 520118485 /nfs/dbraw/zinc/11/84/85/520118485.db2.gz YZOXSCMQDIAMGQ-VXGBXAGGSA-N 0 3 254.374 2.082 10 0 CEAEHN CCN[C@@H]1COc2cc(O[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000062804761 520124648 /nfs/dbraw/zinc/12/46/48/520124648.db2.gz QRGGFNPELRUORE-QLFBSQMISA-N 0 3 277.364 2.412 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3noc(C)n3)ccc21 ZINC000062804661 520124841 /nfs/dbraw/zinc/12/48/41/520124841.db2.gz VLBVPGVUQQWSDU-GFCCVEGCSA-N 0 3 275.308 2.000 10 0 CEAEHN CCN[C@@](C)(COc1ccccc1[C@H](C)CC)C(N)=O ZINC000045519677 520137112 /nfs/dbraw/zinc/13/71/12/520137112.db2.gz AANUPWSQHRAGBW-WBMJQRKESA-N 0 3 278.396 2.432 10 0 CEAEHN CCCNc1cccc(C(=O)N[C@H]2CCCN(CC)C2)n1 ZINC000051071594 520174441 /nfs/dbraw/zinc/17/44/41/520174441.db2.gz SBAXCWWFMDLZKX-ZDUSSCGKSA-N 0 3 290.411 2.118 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1C)C(C)(C)S(C)(=O)=O ZINC000070128788 520207370 /nfs/dbraw/zinc/20/73/70/520207370.db2.gz UXHRZAOPSZZOHQ-CQSZACIVSA-N 0 3 299.436 2.477 10 0 CEAEHN CCNc1cc(CN(C)[C@@H]2CCSC2)ccn1 ZINC000052720001 520269761 /nfs/dbraw/zinc/26/97/61/520269761.db2.gz MHPIUZRPQSHTHU-GFCCVEGCSA-N 0 3 251.399 2.451 10 0 CEAEHN CCCO[C@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000061612559 520282031 /nfs/dbraw/zinc/28/20/31/520282031.db2.gz YHCWZVYMMIXJDI-JKSUJKDBSA-N 0 3 290.407 2.147 10 0 CEAEHN CCNc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000050779356 520294533 /nfs/dbraw/zinc/29/45/33/520294533.db2.gz GHTAFGDRIMOQLD-AWEZNQCLSA-N 0 3 273.380 2.085 10 0 CEAEHN CCNc1ccc(CN2CCN([C@H](C)CC)CC2)cn1 ZINC000055071173 520300624 /nfs/dbraw/zinc/30/06/24/520300624.db2.gz BAFXQLLYIGWADZ-CQSZACIVSA-N 0 3 276.428 2.430 10 0 CEAEHN CCCOc1ccc(CN)c(OC2CCOCC2)c1 ZINC000069288931 520343942 /nfs/dbraw/zinc/34/39/42/520343942.db2.gz QMCVDJIRYNURSJ-UHFFFAOYSA-N 0 3 265.353 2.492 10 0 CEAEHN CCNc1ccnc(C(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000050791183 520346565 /nfs/dbraw/zinc/34/65/65/520346565.db2.gz PZDQLGKRHDLZRK-ZDUSSCGKSA-N 0 3 290.411 2.118 10 0 CEAEHN CCCOc1ccc([C@H](C)N[C@H](C)C(=O)NC)cc1 ZINC000049095786 520427650 /nfs/dbraw/zinc/42/76/50/520427650.db2.gz LMZURCMERCQKKI-NWDGAFQWSA-N 0 3 264.369 2.261 10 0 CEAEHN CCCCN(CC(=O)CC(=O)OCC)[C@H](C)CC ZINC000068813945 520440720 /nfs/dbraw/zinc/44/07/20/520440720.db2.gz YOFPMXWLSRSSLT-GFCCVEGCSA-N 0 3 257.374 2.409 10 0 CEAEHN CCO[C@H]1CCCN(Cc2cc(CNC)oc2C)C1 ZINC000052372314 520528381 /nfs/dbraw/zinc/52/83/81/520528381.db2.gz VESKINPBPNDMLD-AWEZNQCLSA-N 0 3 266.385 2.308 10 0 CEAEHN CCC[C@@](C)(CO)CN1CCN([C@@H](C)CC)CC1 ZINC000055072947 520912035 /nfs/dbraw/zinc/91/20/35/520912035.db2.gz CYGQIWSNXQYPCQ-LSDHHAIUSA-N 0 3 256.434 2.201 10 0 CEAEHN CCC[C@H](NCC(=O)N[C@@H](C)COC)c1cccs1 ZINC000049544042 521154175 /nfs/dbraw/zinc/15/41/75/521154175.db2.gz URGOEACVZJWHDL-RYUDHWBXSA-N 0 3 284.425 2.330 10 0 CEAEHN CC[N@H+](CC[C@@H](NC1CC1)C(=O)[O-])C1CCCCC1 ZINC000062439133 521155930 /nfs/dbraw/zinc/15/59/30/521155930.db2.gz DMEYELGDXZOSRF-CQSZACIVSA-N 0 3 268.401 2.236 10 0 CEAEHN CC[N@@H+](CC[C@@H](NC1CC1)C(=O)[O-])C1CCCCC1 ZINC000062439133 521155933 /nfs/dbraw/zinc/15/59/33/521155933.db2.gz DMEYELGDXZOSRF-CQSZACIVSA-N 0 3 268.401 2.236 10 0 CEAEHN CCN(Cc1ccc(CNC)o1)CC(F)(F)F ZINC000052503053 521307876 /nfs/dbraw/zinc/30/78/76/521307876.db2.gz DPERIJZGZSFUBY-UHFFFAOYSA-N 0 3 250.264 2.383 10 0 CEAEHN CCOC(=O)[C@](CN(C)C(C)C)(NC(C)C)C1CC1 ZINC000069095457 521336548 /nfs/dbraw/zinc/33/65/48/521336548.db2.gz ZLRXVYQPJMPFII-OAHLLOKOSA-N 0 3 270.417 2.037 10 0 CEAEHN CCCc1ccc([C@H](Cn2ncccc2=O)NC)cc1 ZINC000061402303 521419364 /nfs/dbraw/zinc/41/93/64/521419364.db2.gz UYEGVISJAJYPCI-HNNXBMFYSA-N 0 3 271.364 2.157 10 0 CEAEHN CCN(Cc1nc(NN)ccc1Cl)CC1CC1 ZINC000068948276 521451130 /nfs/dbraw/zinc/45/11/30/521451130.db2.gz KGUWGZPXDVRQLE-UHFFFAOYSA-N 0 3 254.765 2.253 10 0 CEAEHN CCN1CCC(N(C)C(=O)c2ccc(NC)cc2)CC1 ZINC000050786087 521556802 /nfs/dbraw/zinc/55/68/02/521556802.db2.gz AXTSJYCHIZBQQY-UHFFFAOYSA-N 0 3 275.396 2.285 10 0 CEAEHN CCOc1ccccc1[C@@H](N)CO[C@@H](C)COC ZINC000070205790 521579372 /nfs/dbraw/zinc/57/93/72/521579372.db2.gz KGDRGNXLMZNRRA-AAEUAGOBSA-N 0 3 253.342 2.137 10 0 CEAEHN CCOC1CCN(c2ncc([C@H](C)N)s2)CC1 ZINC000054896434 521657546 /nfs/dbraw/zinc/65/75/46/521657546.db2.gz CBVZMZSEZGVSKD-VIFPVBQESA-N 0 3 255.387 2.168 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)NCC ZINC000062747027 521745719 /nfs/dbraw/zinc/74/57/19/521745719.db2.gz QLQKCXONWDSHEG-MNOVXSKESA-N 0 3 282.359 2.400 10 0 CEAEHN CC[C@H](C)SC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069185078 521783500 /nfs/dbraw/zinc/78/35/00/521783500.db2.gz VAHRXQKNFNFZNO-GXFFZTMASA-N 0 3 258.431 2.150 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000052792457 521821385 /nfs/dbraw/zinc/82/13/85/521821385.db2.gz ANXYWQANNWJPLK-BLLLJJGKSA-N 0 3 290.407 2.106 10 0 CEAEHN CCc1ccccc1C[C@H](CN)C(=O)N1CCCCC1 ZINC000052200829 521844479 /nfs/dbraw/zinc/84/44/79/521844479.db2.gz UWRXPNFEUPJPAG-MRXNPFEDSA-N 0 3 274.408 2.379 10 0 CEAEHN CN(C)C[C@H]1CCCN1CCC(=O)c1ccccc1 ZINC000061653383 521866860 /nfs/dbraw/zinc/86/68/60/521866860.db2.gz YUNRECZUXMWSNL-OAHLLOKOSA-N 0 3 260.381 2.285 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000061300629 521942672 /nfs/dbraw/zinc/94/26/72/521942672.db2.gz GPHPANWCEHFMJY-UHFFFAOYSA-N 0 3 269.776 2.343 10 0 CEAEHN COCC[C@H](N)c1nc(-c2ccc(OC)c(F)c2)c[nH]1 ZINC000052811219 521952259 /nfs/dbraw/zinc/95/22/59/521952259.db2.gz ARGUYYOLHYRDFW-NSHDSACASA-N 0 3 279.315 2.261 10 0 CEAEHN CNCc1c(C)nn([C@@H]2CCCCC[C@@H]2O)c1C ZINC000054600443 522099786 /nfs/dbraw/zinc/09/97/86/522099786.db2.gz LXPBCCHCCCTAJL-KGLIPLIRSA-N 0 3 251.374 2.085 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2ccc(C(N)=S)cc2)CC1 ZINC000055066686 522126524 /nfs/dbraw/zinc/12/65/24/522126524.db2.gz JGAWNWIFCDBMON-CYBMUJFWSA-N 0 3 291.464 2.237 10 0 CEAEHN CNCc1cnc(-c2nccc3ccccc32)nc1 ZINC000069316182 522145512 /nfs/dbraw/zinc/14/55/12/522145512.db2.gz YTRICTIQGBXQLZ-UHFFFAOYSA-N 0 3 250.305 2.411 10 0 CEAEHN CNCc1sc(N2CCOC(C)(C)C2)nc1C1CC1 ZINC000069179931 522167408 /nfs/dbraw/zinc/16/74/08/522167408.db2.gz WHDHRERHMZWVJV-UHFFFAOYSA-N 0 3 281.425 2.355 10 0 CEAEHN COC[C@@H](C)N(C)c1c(CNC(C)(C)C)c(C)nn1C ZINC000062737312 522218156 /nfs/dbraw/zinc/21/81/56/522218156.db2.gz GBOWIGXWOUODJH-LLVKDONJSA-N 0 3 282.432 2.088 10 0 CEAEHN COC(=O)c1ccccc1CN[C@@H](CN(C)C)C(C)C ZINC000049198112 522263806 /nfs/dbraw/zinc/26/38/06/522263806.db2.gz XXBZZUJDOJJBHO-HNNXBMFYSA-N 0 3 278.396 2.149 10 0 CEAEHN CN[C@@H]1COc2cc(OC[C@@H](O)c3ccccc3)ccc21 ZINC000062804277 522401275 /nfs/dbraw/zinc/40/12/75/522401275.db2.gz WKKFXWKDFWKXSP-HZPDHXFCSA-N 0 3 285.343 2.452 10 0 CEAEHN CN[C@@](CN1CCC2(CCCC2)CC1)(C(=O)OC)C1CC1 ZINC000069232588 522424304 /nfs/dbraw/zinc/42/43/04/522424304.db2.gz WYDXRHGKWKCKQR-QGZVFWFLSA-N 0 3 294.439 2.184 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1OC[C@@H](O)COC(C)C ZINC000070099638 522446827 /nfs/dbraw/zinc/44/68/27/522446827.db2.gz HBTDABAAUXZOPY-KGLIPLIRSA-N 0 3 281.396 2.440 10 0 CEAEHN CNc1ccc(Cl)cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000050779372 522629221 /nfs/dbraw/zinc/62/92/21/522629221.db2.gz LNKZXTJQQCQUOD-NSHDSACASA-N 0 3 293.798 2.348 10 0 CEAEHN CCn1c(=O)[n-]nc1Sc1ccc([C@H](C)[NH2+]C)cc1F ZINC000061595850 523096488 /nfs/dbraw/zinc/09/64/88/523096488.db2.gz RFUCOFLPSHTCNL-QMMMGPOBSA-N 0 3 296.371 2.162 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1ccc(OC)c(C)c1 ZINC000050596698 523336450 /nfs/dbraw/zinc/33/64/50/523336450.db2.gz IIVQKEGQUHFXTK-GJZGRUSLSA-N 0 3 278.396 2.114 10 0 CEAEHN CC[C@H]1COCCN1c1cccc(CNCC(C)C)n1 ZINC000051446835 523339006 /nfs/dbraw/zinc/33/90/06/523339006.db2.gz HRTXFPSNDJLXPN-HNNXBMFYSA-N 0 3 277.412 2.442 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1c1nc(C)c([C@@H](C)N)s1 ZINC000054898138 523354464 /nfs/dbraw/zinc/35/44/64/523354464.db2.gz NLWYECRMOWJASB-KKZNHRDASA-N 0 3 269.414 2.475 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc3ncccc3c2)CCO1 ZINC000069502485 523466738 /nfs/dbraw/zinc/46/67/38/523466738.db2.gz OYBARVPNVZYEQT-WBVHZDCISA-N 0 3 285.391 2.345 10 0 CEAEHN CC[C@@H]1COCCN1c1c(CNCC(C)C)c(C)nn1C ZINC000062736309 523502596 /nfs/dbraw/zinc/50/25/96/523502596.db2.gz OTLWUGCGZMHHQC-CQSZACIVSA-N 0 3 294.443 2.089 10 0 CEAEHN CCn1ccnc1Cn1ccnc1CNC(C)(C)C ZINC000054743867 523547777 /nfs/dbraw/zinc/54/77/77/523547777.db2.gz XYCXQQGHSGWZSA-UHFFFAOYSA-N 0 3 261.373 2.036 10 0 CEAEHN CN(Cc1nc(NN)ccc1Cl)C1CCCC1 ZINC000061639080 523556448 /nfs/dbraw/zinc/55/64/48/523556448.db2.gz BVZGXTLDWPCPTF-UHFFFAOYSA-N 0 3 254.765 2.395 10 0 CEAEHN COC(=O)[C@@H](CCN1CCC(C(C)(C)C)CC1)NC1CC1 ZINC000062530677 523571158 /nfs/dbraw/zinc/57/11/58/523571158.db2.gz JZEWNYRGCXEDAK-OAHLLOKOSA-N 0 3 296.455 2.428 10 0 CEAEHN CN(c1cccc(Br)n1)C1CCN(C)CC1 ZINC000069017392 523644085 /nfs/dbraw/zinc/64/40/85/523644085.db2.gz DQJMZGTXXSXGBY-UHFFFAOYSA-N 0 3 284.201 2.375 10 0 CEAEHN COCCN(CCOC)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054559291 523717367 /nfs/dbraw/zinc/71/73/67/523717367.db2.gz ZAGRHOKCJWHGSV-CABCVRRESA-N 0 3 285.428 2.223 10 0 CEAEHN CC[C@H](C)CN(C)Cc1cccnc1C(N)=S ZINC000061659714 523870017 /nfs/dbraw/zinc/87/00/17/523870017.db2.gz DCVYJYKPMIJDMP-JTQLQIEISA-N 0 3 251.399 2.194 10 0 CEAEHN COCCNCc1c(C)nc(CC(C)C)nc1C ZINC000054854567 523945556 /nfs/dbraw/zinc/94/55/56/523945556.db2.gz PDDWBNSDNRRCGX-UHFFFAOYSA-N 0 3 251.374 2.028 10 0 CEAEHN COCCNCc1cc(F)ccc1N(C)C1CC1 ZINC000062735118 523949798 /nfs/dbraw/zinc/94/97/98/523949798.db2.gz FKZQZNWUSVTBKN-UHFFFAOYSA-N 0 3 252.333 2.160 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2ccc(C)c(N)c2)CC1 ZINC000055083494 523956255 /nfs/dbraw/zinc/95/62/55/523956255.db2.gz GRHWTDKUEUMFGW-AWEZNQCLSA-N 0 3 261.413 2.493 10 0 CEAEHN COCCNCc1cnc(-c2ccccc2C)nc1 ZINC000054856818 523957515 /nfs/dbraw/zinc/95/75/15/523957515.db2.gz SWVANGGYFRZFPD-UHFFFAOYSA-N 0 3 257.337 2.188 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(C(N)=S)cc2)CC1 ZINC000055080607 523961111 /nfs/dbraw/zinc/96/11/11/523961111.db2.gz XNSASPVTUNQKPU-LBPRGKRZSA-N 0 3 277.437 2.241 10 0 CEAEHN COCCN[C@H](CO)c1csc2ccccc21 ZINC000054465933 523961628 /nfs/dbraw/zinc/96/16/28/523961628.db2.gz JKGWXIDMMYTQCX-GFCCVEGCSA-N 0 3 251.351 2.171 10 0 CEAEHN COc1ccc(CN(C)Cc2cccnc2CN)cc1 ZINC000061656675 524006154 /nfs/dbraw/zinc/00/61/54/524006154.db2.gz VUEQSZORXOVDDW-UHFFFAOYSA-N 0 3 271.364 2.181 10 0 CEAEHN CCc1ccc(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)cc1 ZINC000068655630 524008354 /nfs/dbraw/zinc/00/83/54/524008354.db2.gz DCOQTBOUVOICJX-SJCJKPOMSA-N 0 3 290.407 2.402 10 0 CEAEHN CNC(=O)CCCOc1cc(C)ccc1[C@@H](C)NC ZINC000068817076 524065251 /nfs/dbraw/zinc/06/52/51/524065251.db2.gz UGWUKQGOJPHDPB-GFCCVEGCSA-N 0 3 264.369 2.180 10 0 CEAEHN CNC(=O)[C@@H](C)Oc1c(CNC(C)(C)C)cccc1OC ZINC000062732210 524080753 /nfs/dbraw/zinc/08/07/53/524080753.db2.gz RWTDYPCMKMNELF-LLVKDONJSA-N 0 3 294.395 2.097 10 0 CEAEHN COc1ccc(CN[C@@H](CN(C)C)C(C)C)c(OC)c1 ZINC000049195080 524083883 /nfs/dbraw/zinc/08/38/83/524083883.db2.gz BUMQVMBFQQTOAW-HNNXBMFYSA-N 0 3 280.412 2.380 10 0 CEAEHN COc1ccc(COCc2cccnc2CN)cc1 ZINC000061657404 524117570 /nfs/dbraw/zinc/11/75/70/524117570.db2.gz SOFJFNNDBSRFTB-UHFFFAOYSA-N 0 3 258.321 2.266 10 0 CEAEHN C[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2F)N1 ZINC000048874350 524125459 /nfs/dbraw/zinc/12/54/59/524125459.db2.gz ACLKHEJRSRVQCQ-FZMZJTMJSA-N 0 3 264.344 2.315 10 0 CEAEHN C[C@H]1CCC[C@H](C(=O)N[C@@H]2CCOc3ccccc32)N1 ZINC000051987957 524179855 /nfs/dbraw/zinc/17/98/55/524179855.db2.gz AMPBCARAIFWUAC-IACUBPJLSA-N 0 3 274.364 2.157 10 0 CEAEHN COc1ccc(Cl)cc1[C@]([O-])([C@@H](C)[NH3+])C(F)(F)F ZINC000062784394 524256373 /nfs/dbraw/zinc/25/63/73/524256373.db2.gz ZQTSTTNCTGQJAO-LHLIQPBNSA-N 0 3 283.677 2.446 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2F)N1 ZINC000048874347 524264699 /nfs/dbraw/zinc/26/46/99/524264699.db2.gz ACLKHEJRSRVQCQ-RISCZKNCSA-N 0 3 264.344 2.315 10 0 CEAEHN Cc1cccc(N2CCN(Cc3occc3CN)CC2)c1 ZINC000052418937 524558291 /nfs/dbraw/zinc/55/82/91/524558291.db2.gz MPTSVZCIJSOFQY-UHFFFAOYSA-N 0 3 285.391 2.369 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cccc3cccnc32)C[C@H](C)O1 ZINC000069502190 524664537 /nfs/dbraw/zinc/66/45/37/524664537.db2.gz PQMICXSTELCUNF-XEZPLFJOSA-N 0 3 285.391 2.344 10 0 CEAEHN Cc1cc(CN2CCOC[C@@H]2C)oc1CNC(C)C ZINC000052476171 524699217 /nfs/dbraw/zinc/69/92/17/524699217.db2.gz CYCJEXGPHLNWSU-ZDUSSCGKSA-N 0 3 266.385 2.307 10 0 CEAEHN Cc1cccc(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000068656216 524775706 /nfs/dbraw/zinc/77/57/06/524775706.db2.gz YRWCCWBEURXZJR-BLLLJJGKSA-N 0 3 276.380 2.148 10 0 CEAEHN Cc1cc(CN[C@H](C)C(=O)N2CCCCC2)c(C)n1C ZINC000052790358 524775938 /nfs/dbraw/zinc/77/59/38/524775938.db2.gz BSKSPJPDVHNVDU-CYBMUJFWSA-N 0 3 277.412 2.133 10 0 CEAEHN C[C@H](N)C(=O)Nc1cc(Br)ccc1Cl ZINC000061692441 524825268 /nfs/dbraw/zinc/82/52/68/524825268.db2.gz XPDDVUHELJYITP-YFKPBYRVSA-N 0 3 277.549 2.388 10 0 CEAEHN C[C@@H](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])N1CCCC(C)(C)C1 ZINC000068647794 524853039 /nfs/dbraw/zinc/85/30/39/524853039.db2.gz HHMDSXLAGXMBSB-BLLLJJGKSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@@H+]1CCCC(C)(C)C1 ZINC000068647794 524853050 /nfs/dbraw/zinc/85/30/50/524853050.db2.gz HHMDSXLAGXMBSB-BLLLJJGKSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@H+]1CCCC(C)(C)C1 ZINC000068647794 524853059 /nfs/dbraw/zinc/85/30/59/524853059.db2.gz HHMDSXLAGXMBSB-BLLLJJGKSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H]1CN(c2nc(-c3ccccc3)c(CN)s2)CCO1 ZINC000054995763 525072239 /nfs/dbraw/zinc/07/22/39/525072239.db2.gz DIVGAHCQLMAKNF-LLVKDONJSA-N 0 3 289.404 2.494 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)Cc1ccccc1Cl ZINC000069133270 525099464 /nfs/dbraw/zinc/09/94/64/525099464.db2.gz PMHANHAVHRLUNO-PHIMTYICSA-N 0 3 266.772 2.091 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)Cc1ccccc1)c1ccsc1 ZINC000061366290 525167567 /nfs/dbraw/zinc/16/75/67/525167567.db2.gz TXCQZQFIEPIFOJ-SMDDNHRTSA-N 0 3 274.389 2.495 10 0 CEAEHN Cc1ccccc1CSC[C@@H](NC(C)C)C(N)=O ZINC000054964767 525183313 /nfs/dbraw/zinc/18/33/13/525183313.db2.gz KDOCAZHCAYUTJI-CYBMUJFWSA-N 0 3 266.410 2.080 10 0 CEAEHN COc1ccc([C@@H](N)COC2CCC2)cc1OC ZINC000050520126 525191055 /nfs/dbraw/zinc/19/10/55/525191055.db2.gz ZRHBEBUEVCCGNZ-LBPRGKRZSA-N 0 3 251.326 2.273 10 0 CEAEHN COc1ccc([C@@H]2[C@H](N)CC(=O)N2C(C)(C)C)c(OC)c1 ZINC000070294075 525274830 /nfs/dbraw/zinc/27/48/30/525274830.db2.gz DUZQUOWVBOFPKO-IUODEOHRSA-N 0 3 292.379 2.103 10 0 CEAEHN Cc1ccc(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)c(C)c1 ZINC000068655176 525462256 /nfs/dbraw/zinc/46/22/56/525462256.db2.gz QNOVECKNYOHGMV-SUMWQHHRSA-N 0 3 290.407 2.457 10 0 CEAEHN C[C@@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051091732 525637550 /nfs/dbraw/zinc/63/75/50/525637550.db2.gz VZEIFBUTDLYAOR-DTWKUNHWSA-N 0 3 282.775 2.281 10 0 CEAEHN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)C1CCN(C)CC1 ZINC000050509508 525655944 /nfs/dbraw/zinc/65/59/44/525655944.db2.gz SHGPUTGMIQCHLP-DOMZBBRYSA-N 0 3 276.380 2.132 10 0 CEAEHN CSC[C@H](C)CNCc1ccc(C(N)=O)cc1F ZINC000069447613 525680829 /nfs/dbraw/zinc/68/08/29/525680829.db2.gz VJXHDOAJUFUFCO-SECBINFHSA-N 0 3 270.373 2.013 10 0 CEAEHN C[C@@H](O)c1ccc(NC(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061655761 525869107 /nfs/dbraw/zinc/86/91/07/525869107.db2.gz RJYMUFMWIZPTJF-IUODEOHRSA-N 0 3 291.395 2.298 10 0 CEAEHN O=C([O-])[C@@H]1CCC[C@@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000062753258 526275693 /nfs/dbraw/zinc/27/56/93/526275693.db2.gz OVEAGUBHBIESJN-CABCVRRESA-N 0 3 280.412 2.190 10 0 CEAEHN O=C([O-])[C@@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000062753258 526275697 /nfs/dbraw/zinc/27/56/97/526275697.db2.gz OVEAGUBHBIESJN-CABCVRRESA-N 0 3 280.412 2.190 10 0 CEAEHN Fc1cc(CN[C@H]2CN3CCC2CC3)cc(F)c1F ZINC000062705671 526298359 /nfs/dbraw/zinc/29/83/59/526298359.db2.gz QSPZJUNYUZMMHV-ZDUSSCGKSA-N 0 3 270.298 2.288 10 0 CEAEHN O=C(NCCN1CCCCC1)c1cccc2c1NCCC2 ZINC000050957989 526307851 /nfs/dbraw/zinc/30/78/51/526307851.db2.gz OVVKJCBGDKAJSS-UHFFFAOYSA-N 0 3 287.407 2.260 10 0 CEAEHN c1ccc([C@@H]2CN(Cc3ccccn3)CCN2)cc1 ZINC000068693506 526493614 /nfs/dbraw/zinc/49/36/14/526493614.db2.gz MWLTVYNPTWUZKA-INIZCTEOSA-N 0 3 253.349 2.228 10 0 CEAEHN c1cn(-c2cccc(CNC3CC3)n2)nc1C1CC1 ZINC000052885215 526525544 /nfs/dbraw/zinc/52/55/44/526525544.db2.gz RPCFCTQNAHXKPV-UHFFFAOYSA-N 0 3 254.337 2.397 10 0 CEAEHN Cc1oc(CN(C)C[C@H]2CCCCO2)cc1CN ZINC000052507346 526770133 /nfs/dbraw/zinc/77/01/33/526770133.db2.gz DUXCKRRLNIZTKF-CYBMUJFWSA-N 0 3 252.358 2.048 10 0 CEAEHN Cc1nc(CNC[C@@H]2Cc3ccccc3CN2)cs1 ZINC000049539062 526888019 /nfs/dbraw/zinc/88/80/19/526888019.db2.gz NHXZXBWQRYXTKI-AWEZNQCLSA-N 0 3 273.405 2.256 10 0 CEAEHN Cc1nc(CN[C@H](C)c2ccc(NC(N)=O)cc2)c[nH]1 ZINC000054822223 526892832 /nfs/dbraw/zinc/89/28/32/526892832.db2.gz LMWXXOSJMVOOBC-SECBINFHSA-N 0 3 273.340 2.060 10 0 CEAEHN Cc1ncc(CN[C@H](C)c2ccc(NC(N)=O)cc2)[nH]1 ZINC000054822223 526892838 /nfs/dbraw/zinc/89/28/38/526892838.db2.gz LMWXXOSJMVOOBC-SECBINFHSA-N 0 3 273.340 2.060 10 0 CEAEHN Cc1nc(N2CCOCC2(C)C)sc1[C@@H](C)N ZINC000054898400 526970993 /nfs/dbraw/zinc/97/09/93/526970993.db2.gz SFPPSLXKTDHDKV-MRVPVSSYSA-N 0 3 255.387 2.086 10 0 CEAEHN NC(=S)c1cc(Cl)ccc1N[C@H]1CN2CCC1CC2 ZINC000052857728 527115226 /nfs/dbraw/zinc/11/52/26/527115226.db2.gz DACWGLYKVNLDMA-ZDUSSCGKSA-N 0 3 295.839 2.480 10 0 CEAEHN CC(=O)c1c(F)cccc1NC[C@@H](O)CN1CCCCC1 ZINC000174684319 527176118 /nfs/dbraw/zinc/17/61/18/527176118.db2.gz SPZCQCMUODNIDH-CYBMUJFWSA-N 0 3 294.370 2.287 10 0 CEAEHN NC[C@H](Oc1cccc(F)c1F)c1ccncc1 ZINC000062612923 527229303 /nfs/dbraw/zinc/22/93/03/527229303.db2.gz BVMWKZGVHSMJQD-LBPRGKRZSA-N 0 3 250.248 2.439 10 0 CEAEHN NCc1cc(C(F)(F)F)ccc1N1CCCOCC1 ZINC000061912781 527247747 /nfs/dbraw/zinc/24/77/47/527247747.db2.gz AVJOJTIRVPGEPG-UHFFFAOYSA-N 0 3 274.286 2.391 10 0 CEAEHN NCc1cnc2ccccc2c1N1CCC[C@@H]1CCCO ZINC000052756746 527263591 /nfs/dbraw/zinc/26/35/91/527263591.db2.gz IGMFSAJBUZBTTI-CQSZACIVSA-N 0 3 285.391 2.435 10 0 CEAEHN O=C(Nc1ccc2c(c1)CCO2)c1ccc2c(c1)CNC2 ZINC000156696629 527276718 /nfs/dbraw/zinc/27/67/18/527276718.db2.gz AKMUWXKHCKAGBG-UHFFFAOYSA-N 0 3 280.327 2.477 10 0 CEAEHN NNc1ccc(Cl)c(CSc2nncs2)n1 ZINC000061640099 527280343 /nfs/dbraw/zinc/28/03/43/527280343.db2.gz KAKPDNCVHDFPRO-UHFFFAOYSA-N 0 3 273.774 2.164 10 0 CEAEHN N[C@@H](c1cncnc1)c1ccccc1Br ZINC000052887390 527338443 /nfs/dbraw/zinc/33/84/43/527338443.db2.gz VPPOOTXFHLHUHR-NSHDSACASA-N 0 3 264.126 2.287 10 0 CEAEHN Cc1nccc(CN[C@@H](Cn2ccnc2)C(C)(C)C)n1 ZINC000054790644 527339265 /nfs/dbraw/zinc/33/92/65/527339265.db2.gz BGSAUHOZWJVFQS-AWEZNQCLSA-N 0 3 273.384 2.186 10 0 CEAEHN N[C@H]1COc2cc(OCc3cn4ccccc4n3)ccc21 ZINC000062803739 527417255 /nfs/dbraw/zinc/41/72/55/527417255.db2.gz HAVDCMIXPOTQKY-AWEZNQCLSA-N 0 3 281.315 2.306 10 0 CEAEHN Nc1cc(Br)cnc1NCCN1CCCCC1 ZINC000049574731 527441850 /nfs/dbraw/zinc/44/18/50/527441850.db2.gz AYBCYDYFISCNPI-UHFFFAOYSA-N 0 3 299.216 2.324 10 0 CEAEHN Cn1ccnc1[C@@H](N)Cc1ccc(F)cc1Cl ZINC000069473873 527450234 /nfs/dbraw/zinc/45/02/34/527450234.db2.gz TXHBZKNZTFXQBE-NSHDSACASA-N 0 3 253.708 2.455 10 0 CEAEHN Nc1cc(Cl)ccc1CN1CCN(CC2CC2)CC1 ZINC000050443083 527451348 /nfs/dbraw/zinc/45/13/48/527451348.db2.gz PJWZMRHVALRYNU-UHFFFAOYSA-N 0 3 279.815 2.450 10 0 CEAEHN CCOCCC1(C(=O)N[C@H]2CCCN(CC)C2)CCC1 ZINC000178465324 528609806 /nfs/dbraw/zinc/60/98/06/528609806.db2.gz SEVUOKRTJVONGO-AWEZNQCLSA-N 0 3 282.428 2.184 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC1(C)CCC1 ZINC000176642680 529095230 /nfs/dbraw/zinc/09/52/30/529095230.db2.gz YQTIRRMEAZVOSN-ZDUSSCGKSA-N 0 3 267.417 2.302 10 0 CEAEHN CC(C)CNCc1cncc(N2CCC(C)CC2)n1 ZINC000091418253 535169437 /nfs/dbraw/zinc/16/94/37/535169437.db2.gz QGLNUXJPIMFDFU-UHFFFAOYSA-N 0 3 262.401 2.459 10 0 CEAEHN CCCN[C@H]1CCCN(c2ccccc2OC)C1=O ZINC000071035730 535191857 /nfs/dbraw/zinc/19/18/57/535191857.db2.gz GKCCOYPNYQMIIJ-LBPRGKRZSA-N 0 3 262.353 2.190 10 0 CEAEHN CCNCc1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906763 535478350 /nfs/dbraw/zinc/47/83/50/535478350.db2.gz JKUBLRYXRVTZTN-OKILXGFUSA-N 0 3 264.344 2.303 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000153162229 538885133 /nfs/dbraw/zinc/88/51/33/538885133.db2.gz OMHFEAQCHMBOHO-QPUJVOFHSA-N 0 3 256.296 2.301 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)c1ccc(F)c(F)c1 ZINC000153162137 538885161 /nfs/dbraw/zinc/88/51/61/538885161.db2.gz OMHFEAQCHMBOHO-PRHODGIISA-N 0 3 256.296 2.301 10 0 CEAEHN CCN[S@@](=O)(=N[C@H](C)CC)c1ccc(N)cc1 ZINC000675073902 574511258 /nfs/dbraw/zinc/51/12/58/574511258.db2.gz BWVMSMAMOTTWKC-BMLIUANNSA-N 0 3 255.387 2.419 10 0 CEAEHN COc1ccc(CN[C@H](C)[C@@H](C)O)c(Br)c1 ZINC000309912566 625349205 /nfs/dbraw/zinc/34/92/05/625349205.db2.gz NOCKCJTXRYNXNV-RKDXNWHRSA-N 0 3 288.185 2.317 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CSC(F)(F)F ZINC000177040771 625386909 /nfs/dbraw/zinc/38/69/09/625386909.db2.gz WGSUHICCKKBCMY-VIFPVBQESA-N 0 3 284.347 2.182 10 0 CEAEHN CC(C)Cc1ccc([C@@H](C)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000089755277 623470087 /nfs/dbraw/zinc/47/00/87/623470087.db2.gz RZRYXZGSKBTGPQ-DOMZBBRYSA-N 0 3 288.391 2.341 10 0 CEAEHN C[C@H](NC(=O)CN)c1c(Cl)ccc(F)c1Cl ZINC000237622811 624701080 /nfs/dbraw/zinc/70/10/80/624701080.db2.gz SXVDKAHCSFEAQG-YFKPBYRVSA-N 0 3 265.115 2.268 10 0 CEAEHN CO[C@H](C)CN(C)C[C@H](O)c1cc2ccccc2o1 ZINC000311328029 627642518 /nfs/dbraw/zinc/64/25/18/627642518.db2.gz FCLGIHRBOHUWHC-YPMHNXCESA-N 0 3 263.337 2.433 10 0 CEAEHN COc1ccc([C@@H](C)NC2CSC2)cc1OC ZINC000396434676 628226056 /nfs/dbraw/zinc/22/60/56/628226056.db2.gz LJXBRWSNFPHQOX-SECBINFHSA-N 0 3 253.367 2.470 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000097604804 630462636 /nfs/dbraw/zinc/46/26/36/630462636.db2.gz OMASEXGPDSUUGS-GWCFXTLKSA-N 0 3 279.771 2.238 10 0 CEAEHN C[C@H](O)CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067649071 631659838 /nfs/dbraw/zinc/65/98/38/631659838.db2.gz FGYUGNGCPAXKEG-JTQLQIEISA-N 0 3 291.782 2.469 10 0 CEAEHN Nc1cnc(O[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000226757741 639564485 /nfs/dbraw/zinc/56/44/85/639564485.db2.gz KGGBIDZDEGWPOW-GFCCVEGCSA-N 0 3 275.377 2.379 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCCCCCC2)C1 ZINC000057870108 642571929 /nfs/dbraw/zinc/57/19/29/642571929.db2.gz QLEFZPTYITZGTN-AWEZNQCLSA-N 0 3 267.417 2.446 10 0 CEAEHN CCc1ccc([C@H](C)NC[C@H]2CCCS2(=O)=O)cc1 ZINC000126970828 651039549 /nfs/dbraw/zinc/03/95/49/651039549.db2.gz VLOWJDVXZZZWED-SWLSCSKDSA-N 0 3 281.421 2.477 10 0 CEAEHN CCCN[C@H]1c2ccccc2C[C@H]1S(=O)(=O)C(C)C ZINC000081980248 177911157 /nfs/dbraw/zinc/91/11/57/177911157.db2.gz YNQGFBUJGJLGHU-CABCVRRESA-N 0 3 281.421 2.475 10 0 CEAEHN Cc1csc(-c2ccccc2CNC(=O)[C@H](C)N)n1 ZINC000082256088 177928543 /nfs/dbraw/zinc/92/85/43/177928543.db2.gz CFOCAICOWWCCFF-JTQLQIEISA-N 0 3 275.377 2.082 10 0 CEAEHN CN(C)CCN(C)Cc1ccc(N)cc1Br ZINC000082539600 178089075 /nfs/dbraw/zinc/08/90/75/178089075.db2.gz GRRQLISZDJBGME-UHFFFAOYSA-N 0 3 286.217 2.025 10 0 CEAEHN CC1(C)CSC(NCCOCC(F)(F)F)=N1 ZINC000082627771 178140586 /nfs/dbraw/zinc/14/05/86/178140586.db2.gz BGPAMEZPRWMJSE-UHFFFAOYSA-N 0 3 256.293 2.036 10 0 CEAEHN CC(C)[C@@H](CN(C)C)Nc1ncc(Br)cn1 ZINC000082662002 178150044 /nfs/dbraw/zinc/15/00/44/178150044.db2.gz AQAYLJRSNIAVPQ-SNVBAGLBSA-N 0 3 287.205 2.237 10 0 CEAEHN C[C@@H](CNC(=O)c1c[nH]c2ccccc12)N1CCCC1 ZINC000096723646 185110871 /nfs/dbraw/zinc/11/08/71/185110871.db2.gz PPLMLQDYBSVSHL-LBPRGKRZSA-N 0 3 271.364 2.382 10 0 CEAEHN NCc1c(F)cccc1N1C(=O)c2ccccc2C1=O ZINC000036158684 361833415 /nfs/dbraw/zinc/83/34/15/361833415.db2.gz BSSARTZBQYSSMW-UHFFFAOYSA-N 0 3 270.263 2.085 10 0 CEAEHN C[C@H]1C[C@]2(CN1C)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005303 185150848 /nfs/dbraw/zinc/15/08/48/185150848.db2.gz DPBKPPQLSFUTSC-MRCXROJRSA-N 0 3 251.301 2.104 10 0 CEAEHN O=C(N[C@H]1CCCNC[C@@H]1F)OCc1ccccc1 ZINC000725262008 539209918 /nfs/dbraw/zinc/20/99/18/539209918.db2.gz QPJQHXOAZRHVCN-STQMWFEESA-N 0 3 266.316 2.003 10 0 CEAEHN CCCCS(=O)(=O)N1c2ccccc2CCC[C@H]1CN ZINC000725262929 539211943 /nfs/dbraw/zinc/21/19/43/539211943.db2.gz SZXXZPYQJWZDJZ-AWEZNQCLSA-N 0 3 296.436 2.287 10 0 CEAEHN COc1c(CN[C@H]2CCC(F)(F)C2)c(C)nn1C ZINC000310775265 539279957 /nfs/dbraw/zinc/27/99/57/539279957.db2.gz AKJIVYOCEZJWOB-VIFPVBQESA-N 0 3 259.300 2.015 10 0 CEAEHN C[C@H](NC[C@@H](O)Cn1cccn1)c1ccc(Cl)s1 ZINC000042587549 362105191 /nfs/dbraw/zinc/10/51/91/362105191.db2.gz MIFSPVBCBDUFOM-VHSXEESVSA-N 0 3 285.800 2.310 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000037798717 343431000 /nfs/dbraw/zinc/43/10/00/343431000.db2.gz DHKBQPIQHSRKNH-XHDPSFHLSA-N 0 3 294.395 2.036 10 0 CEAEHN c1ccc(OCCNC[C@@H]2COc3ccccc3O2)cc1 ZINC000038352500 343434232 /nfs/dbraw/zinc/43/42/32/343434232.db2.gz SEVMYASGWWEGRG-OAHLLOKOSA-N 0 3 285.343 2.495 10 0 CEAEHN C[C@@H](O)CCCN1CCC(c2nccs2)CC1 ZINC000336704577 365769101 /nfs/dbraw/zinc/76/91/01/365769101.db2.gz KWQPIOIXFMDFTF-LLVKDONJSA-N 0 3 254.399 2.484 10 0 CEAEHN C[C@H]1CN([C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000306636534 539335473 /nfs/dbraw/zinc/33/54/73/539335473.db2.gz DWYMDMCIGZFHSF-USXIJHARSA-N 0 3 274.408 2.106 10 0 CEAEHN COc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1F ZINC000128223454 187357908 /nfs/dbraw/zinc/35/79/08/187357908.db2.gz PNEGIBSCOBAHAN-YPMHNXCESA-N 0 3 294.370 2.293 10 0 CEAEHN Cc1noc(-c2ccnc(NC[C@@H]3CCCN(C)C3)c2)n1 ZINC000091482608 344164919 /nfs/dbraw/zinc/16/49/19/344164919.db2.gz SSLCRMSCIHJAOU-LBPRGKRZSA-N 0 3 287.367 2.194 10 0 CEAEHN COC(=O)C[C@H](N)c1ccc(OC(F)(F)F)c(F)c1 ZINC000095638467 344237248 /nfs/dbraw/zinc/23/72/48/344237248.db2.gz YQALVSABRJFXRO-QMMMGPOBSA-N 0 3 281.205 2.287 10 0 CEAEHN NCc1csc(-c2ncccc2Br)n1 ZINC000133327458 344368174 /nfs/dbraw/zinc/36/81/74/344368174.db2.gz UMCAXOZBPILBFQ-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN CCCC(=O)Nc1cccc(CNC(=O)[C@@H](N)CCC)c1 ZINC000153751033 344430181 /nfs/dbraw/zinc/43/01/81/344430181.db2.gz ZKCQDOMHRFSXGR-AWEZNQCLSA-N 0 3 291.395 2.169 10 0 CEAEHN C[C@@H](Cc1ccsc1)NC(=O)[C@]1(C)CCCCN1 ZINC000136179329 344384246 /nfs/dbraw/zinc/38/42/46/344384246.db2.gz KJQVEDYQWPOIOI-FZMZJTMJSA-N 0 3 266.410 2.328 10 0 CEAEHN C[C@@H]1CC(c2ccncc2[N+](=O)[O-])=CC(=O)[C@H]1CN(C)C ZINC000149822542 344415508 /nfs/dbraw/zinc/41/55/08/344415508.db2.gz MRURIDYMVHCNJL-MFKMUULPSA-N 0 3 289.335 2.160 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1 ZINC000170867939 344492051 /nfs/dbraw/zinc/49/20/51/344492051.db2.gz ADDXKHJUQAXUCI-JTQLQIEISA-N 0 3 291.376 2.179 10 0 CEAEHN CC(=O)Nc1ccc(Cl)c(OCCN(C)C)c1 ZINC000220024534 344537995 /nfs/dbraw/zinc/53/79/95/344537995.db2.gz MOUAOLUKVMRJHQ-UHFFFAOYSA-N 0 3 256.733 2.239 10 0 CEAEHN CCCC[C@@H](CCC)NC(=O)C(C)(C)N1CCNCC1 ZINC000226069002 344548398 /nfs/dbraw/zinc/54/83/98/344548398.db2.gz YKVMNJXXFLSHGN-CQSZACIVSA-N 0 3 283.460 2.145 10 0 CEAEHN O[C@@H](CN1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000051590132 362432815 /nfs/dbraw/zinc/43/28/15/362432815.db2.gz BMTBHPOZDWZHET-ZDUSSCGKSA-N 0 3 289.297 2.196 10 0 CEAEHN CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000233303412 344581183 /nfs/dbraw/zinc/58/11/83/344581183.db2.gz CFZXVVAYXJTDBO-KCPJHIHWSA-N 0 3 258.365 2.178 10 0 CEAEHN CCOC(=O)C[C@H](O)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000233987841 344582825 /nfs/dbraw/zinc/58/28/25/344582825.db2.gz ZYNLONXISMFRJR-AAEUAGOBSA-N 0 3 283.343 2.099 10 0 CEAEHN COC(=O)c1csc(CN[C@@H](C)[C@@H]2CCCO2)c1 ZINC000602510023 347061786 /nfs/dbraw/zinc/06/17/86/347061786.db2.gz IJZCSIIFGHGRBV-CABZTGNLSA-N 0 3 269.366 2.192 10 0 CEAEHN COC(=O)c1cc(CN2CCC[C@H]2CCCO)oc1C ZINC000052762404 362474183 /nfs/dbraw/zinc/47/41/83/362474183.db2.gz ZBQBMMYMYACQNV-LBPRGKRZSA-N 0 3 281.352 2.112 10 0 CEAEHN NCc1nc(OC(F)(F)F)ccc1Br ZINC000238594486 344607160 /nfs/dbraw/zinc/60/71/60/344607160.db2.gz CZZQYFHLMDYRJG-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN NCc1cc(OC(F)(F)F)ncc1Br ZINC000238675657 344607713 /nfs/dbraw/zinc/60/77/13/344607713.db2.gz IMGBPFOLDXZAPX-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN C[C@@H]1CCC[C@H](CNC(=O)[C@]2(C)CCCCN2)C1 ZINC000261572494 344653118 /nfs/dbraw/zinc/65/31/18/344653118.db2.gz LQJPWZZJVWPVOS-IPYPFGDCSA-N 0 3 252.402 2.461 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC000262590053 344654760 /nfs/dbraw/zinc/65/47/60/344654760.db2.gz ULDDXPGPCLYBBJ-RVMXOQNASA-N 0 3 270.417 2.070 10 0 CEAEHN Cc1cc([C@@H]2COCC(N)=N2)sc1Br ZINC000306826005 344717834 /nfs/dbraw/zinc/71/78/34/344717834.db2.gz ZAQTUKSTTLGTJN-LURJTMIESA-N 0 3 275.171 2.248 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000054073380 362508829 /nfs/dbraw/zinc/50/88/29/362508829.db2.gz AIUYIOWGYGUFGF-MRVPVSSYSA-N 0 3 276.258 2.174 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc2nncn2n1 ZINC000295097296 199343156 /nfs/dbraw/zinc/34/31/56/199343156.db2.gz SWEOHPMUHUPOFC-ZDUSSCGKSA-N 0 3 296.378 2.057 10 0 CEAEHN NC[C@H](CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000084267675 178835461 /nfs/dbraw/zinc/83/54/61/178835461.db2.gz PSJGUAOYLLFANP-CQSZACIVSA-N 0 3 275.373 2.203 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)Nc2ccccc2Cl)CCO1 ZINC000116928834 232201881 /nfs/dbraw/zinc/20/18/81/232201881.db2.gz FLYRJBMROLZEAJ-NSHDSACASA-N 0 3 297.786 2.134 10 0 CEAEHN CN[C@H](c1ccc(C(F)(F)F)cn1)[C@H]1CCOC1 ZINC000097181578 185556603 /nfs/dbraw/zinc/55/66/03/185556603.db2.gz SBCNCXNDHYDVPN-KWQFWETISA-N 0 3 260.259 2.397 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(CC(C)C)C2CC2)C1 ZINC000057870477 362598011 /nfs/dbraw/zinc/59/80/11/362598011.db2.gz GUEDMDXUIGAZFX-ZDUSSCGKSA-N 0 3 267.417 2.301 10 0 CEAEHN CCCCN(CC)C(=O)N[C@H]1CCCN(CC)C1 ZINC000057870115 362598145 /nfs/dbraw/zinc/59/81/45/362598145.db2.gz WOIKBPGWWRKRBO-ZDUSSCGKSA-N 0 3 255.406 2.302 10 0 CEAEHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000057879217 362599246 /nfs/dbraw/zinc/59/92/46/362599246.db2.gz ZFHYFVUEURBNSW-VXGBXAGGSA-N 0 3 291.395 2.305 10 0 CEAEHN CN(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccccc1 ZINC000176584801 232332196 /nfs/dbraw/zinc/33/21/96/232332196.db2.gz LSIZZGHOSIJEFI-OAGGEKHMSA-N 0 3 272.392 2.452 10 0 CEAEHN C[C@@H]1CN[C@@H](c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085504574 179084278 /nfs/dbraw/zinc/08/42/78/179084278.db2.gz UVYYSTJQTBSAPN-VNQPRFMTSA-N 0 3 260.381 2.200 10 0 CEAEHN CN1CCCC[C@@H]1Cn1c2c(nc1C(C)(C)C)CNCC2 ZINC000085572823 179098585 /nfs/dbraw/zinc/09/85/85/179098585.db2.gz YYDFDCNBNCQDBU-CYBMUJFWSA-N 0 3 290.455 2.311 10 0 CEAEHN CN1CC[C@H](n2c3c(nc2C2CCCC2)CNCC3)C1 ZINC000085607095 179101593 /nfs/dbraw/zinc/10/15/93/179101593.db2.gz ICLLHNOCNDJQIJ-ZDUSSCGKSA-N 0 3 274.412 2.063 10 0 CEAEHN COCCNC[C@H](O)c1ccc(Br)c(C)c1 ZINC000085708751 179122827 /nfs/dbraw/zinc/12/28/27/179122827.db2.gz NXQAIUYPSMXSTB-LBPRGKRZSA-N 0 3 288.185 2.027 10 0 CEAEHN CN(C)C[C@H](O)Cc1cc(Br)ccc1F ZINC000085794267 179172836 /nfs/dbraw/zinc/17/28/36/179172836.db2.gz FCQUQKOSYPHXEC-SNVBAGLBSA-N 0 3 276.149 2.053 10 0 CEAEHN CCCc1ccc([C@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086019984 179217739 /nfs/dbraw/zinc/21/77/39/179217739.db2.gz QNBXTUVWPJBJGE-KGLIPLIRSA-N 0 3 267.394 2.074 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NC[C@H]1CCCC[C@@H]1O ZINC000085980074 179209250 /nfs/dbraw/zinc/20/92/50/179209250.db2.gz QKXWYGSXVAHXJD-HONMWMINSA-N 0 3 265.401 2.239 10 0 CEAEHN C[C@@H]1CC[C@@H](N[C@@H]2CC(=O)N(c3ccccc3)C2=O)[C@@H]1C ZINC000086075202 179225097 /nfs/dbraw/zinc/22/50/97/179225097.db2.gz QRPVHTGDZOIJJF-QHSBEEBCSA-N 0 3 286.375 2.343 10 0 CEAEHN CCCc1ccc([C@@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086019995 179218241 /nfs/dbraw/zinc/21/82/41/179218241.db2.gz QNBXTUVWPJBJGE-UONOGXRCSA-N 0 3 267.394 2.074 10 0 CEAEHN Cc1cc([C@H](N)[C@@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000086023045 179218814 /nfs/dbraw/zinc/21/88/14/179218814.db2.gz LWECSSASPYOUMF-ZWNOBZJWSA-N 0 3 287.812 2.391 10 0 CEAEHN C[C@]1(c2ccccc2)CN(Cc2nccs2)CCN1 ZINC000086144183 179237815 /nfs/dbraw/zinc/23/78/15/179237815.db2.gz GVFQQRLZLSJXMP-OAHLLOKOSA-N 0 3 273.405 2.464 10 0 CEAEHN Cc1cnc(CN2C[C@H](C)NC[C@@H]2c2ccccc2)cn1 ZINC000086174960 179245544 /nfs/dbraw/zinc/24/55/44/179245544.db2.gz CYMYRUTXASTZIK-WMLDXEAASA-N 0 3 282.391 2.320 10 0 CEAEHN Cc1cc(CN2CCN[C@H](c3ccccc3)C2)no1 ZINC000086146063 179238788 /nfs/dbraw/zinc/23/87/88/179238788.db2.gz BGLFBBFISGOUIM-HNNXBMFYSA-N 0 3 257.337 2.130 10 0 CEAEHN CCN(c1nc2c(s1)CCC[C@@H]2N)[C@@H](C)COC ZINC000086443235 179293622 /nfs/dbraw/zinc/29/36/22/179293622.db2.gz CBFCUASQBVKKKL-UWVGGRQHSA-N 0 3 269.414 2.340 10 0 CEAEHN COCCN(c1nc2c(s1)CCC[C@H]2N)C1CC1 ZINC000086443593 179293962 /nfs/dbraw/zinc/29/39/62/179293962.db2.gz LGMMFCJSFKZTQQ-SNVBAGLBSA-N 0 3 267.398 2.094 10 0 CEAEHN CN[C@H]1CCCc2sc(N3CCC(OC)CC3)nc21 ZINC000086442652 179294036 /nfs/dbraw/zinc/29/40/36/179294036.db2.gz FCJVAHIXIMEELG-NSHDSACASA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(C)c(O)c1 ZINC000086446441 179294518 /nfs/dbraw/zinc/29/45/18/179294518.db2.gz HXNQXNPQMDEJSJ-UONOGXRCSA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)[C@@H](CC)CN1 ZINC000086447145 179295398 /nfs/dbraw/zinc/29/53/98/179295398.db2.gz ZZXJLQUDBAWWAL-CVEARBPZSA-N 0 3 288.391 2.319 10 0 CEAEHN CC(C)(C)[NH2+]Cc1cc(=O)[n-]c([C@@H]2Cc3ccccc32)n1 ZINC000086492499 179302560 /nfs/dbraw/zinc/30/25/60/179302560.db2.gz BGAOLUYGWDTMTP-CQSZACIVSA-N 0 3 283.375 2.346 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@@H]1NCCCOc1ccccc1 ZINC000086675869 179319627 /nfs/dbraw/zinc/31/96/27/179319627.db2.gz GTNNCZWWAUQQSS-GJZGRUSLSA-N 0 3 297.420 2.011 10 0 CEAEHN COC[C@@H](N[C@H]1COc2cc(O)ccc21)C(C)C ZINC000086682586 179319856 /nfs/dbraw/zinc/31/98/56/179319856.db2.gz FRCCVFQOYZAUBA-OLZOCXBDSA-N 0 3 251.326 2.086 10 0 CEAEHN CCN1CC[C@H](N[C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897082 365940814 /nfs/dbraw/zinc/94/08/14/365940814.db2.gz OQTFJDOQTWJATB-STQMWFEESA-N 0 3 278.396 2.449 10 0 CEAEHN Nc1cc(Br)ccc1CNC[C@H]1CCCO1 ZINC000086706218 179322165 /nfs/dbraw/zinc/32/21/65/179322165.db2.gz QIGWQXVZSKBDHT-LLVKDONJSA-N 0 3 285.185 2.300 10 0 CEAEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000130401696 365952995 /nfs/dbraw/zinc/95/29/95/365952995.db2.gz PNQHLPAROFFPAQ-MRXNPFEDSA-N 0 3 285.395 2.202 10 0 CEAEHN COC(=O)[C@]1(Nc2ccccc2)CCCN(C)CC1 ZINC000086819808 179347878 /nfs/dbraw/zinc/34/78/78/179347878.db2.gz NJDHHEPVQWGKTN-HNNXBMFYSA-N 0 3 262.353 2.126 10 0 CEAEHN CC[C@@](C)(N)C(=O)NCc1cc(Br)cs1 ZINC000086807273 179339990 /nfs/dbraw/zinc/33/99/90/179339990.db2.gz UUIUZGIWTDLCNW-SNVBAGLBSA-N 0 3 291.214 2.254 10 0 CEAEHN CCCN1CCC[C@](CC(=O)[O-])([NH+]2CCCC2)CC1 ZINC000086868479 179360163 /nfs/dbraw/zinc/36/01/63/179360163.db2.gz KRHYFUIBPXZRBK-HNNXBMFYSA-N 0 3 268.401 2.192 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868596 179362351 /nfs/dbraw/zinc/36/23/51/179362351.db2.gz TWBVLBCRPXHIKT-UONOGXRCSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868596 179362352 /nfs/dbraw/zinc/36/23/52/179362352.db2.gz TWBVLBCRPXHIKT-UONOGXRCSA-N 0 3 268.401 2.046 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868957 179362410 /nfs/dbraw/zinc/36/24/10/179362410.db2.gz YZVYSONIHSXXSS-GFCCVEGCSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868957 179362412 /nfs/dbraw/zinc/36/24/12/179362412.db2.gz YZVYSONIHSXXSS-GFCCVEGCSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849878 179358090 /nfs/dbraw/zinc/35/80/90/179358090.db2.gz JPFQAEYJVWBONS-QGZVFWFLSA-N 0 3 290.407 2.496 10 0 CEAEHN CCCn1cc([C@@H](N)[C@H]2CSCCS2)cn1 ZINC000086984266 179374011 /nfs/dbraw/zinc/37/40/11/179374011.db2.gz IPEPAJLBOKNQQJ-GHMZBOCLSA-N 0 3 257.428 2.142 10 0 CEAEHN CN[C@@H](CCCOC)c1ccc(OC)cc1OC ZINC000086969914 179370588 /nfs/dbraw/zinc/37/05/88/179370588.db2.gz ATSIVHICOUHGFA-ZDUSSCGKSA-N 0 3 253.342 2.391 10 0 CEAEHN COc1ccc([C@@H]2[C@H](N)CC(=O)N2C(C)(C)C)cc1F ZINC000086995268 179375981 /nfs/dbraw/zinc/37/59/81/179375981.db2.gz KEXVHBIRTFJPMA-BXUZGUMPSA-N 0 3 280.343 2.234 10 0 CEAEHN CCOC(=O)C[C@H](c1ccc(OC)c(F)c1)N(C)C ZINC000086995668 179376760 /nfs/dbraw/zinc/37/67/60/179376760.db2.gz ZSJZIZMUALQLGY-GFCCVEGCSA-N 0 3 269.316 2.390 10 0 CEAEHN C[C@@H]1CCC[C@](O)(CN[C@@H]2CCCc3c2cnn3C)C1 ZINC000087049703 179388638 /nfs/dbraw/zinc/38/86/38/179388638.db2.gz XCGNELNTJAWEFC-XNRPHZJLSA-N 0 3 277.412 2.328 10 0 CEAEHN CCC1CCC(O)(CNCc2cnn(CC)c2)CC1 ZINC000087066279 179390599 /nfs/dbraw/zinc/39/05/99/179390599.db2.gz SFWXTCIYMZSUKQ-UHFFFAOYSA-N 0 3 265.401 2.324 10 0 CEAEHN CC[C@H](C)SCc1nc(CNCCOC)c[nH]1 ZINC000087140366 179397389 /nfs/dbraw/zinc/39/73/89/179397389.db2.gz MRWDUOVHBGCYJT-JTQLQIEISA-N 0 3 257.403 2.177 10 0 CEAEHN CC[C@H](C)SCc1ncc(CNCCOC)[nH]1 ZINC000087140366 179397391 /nfs/dbraw/zinc/39/73/91/179397391.db2.gz MRWDUOVHBGCYJT-JTQLQIEISA-N 0 3 257.403 2.177 10 0 CEAEHN CCN1CCC(O)(Cc2cccc(F)c2F)CC1 ZINC000087165790 179398464 /nfs/dbraw/zinc/39/84/64/179398464.db2.gz FVHCULSEDOWWPV-UHFFFAOYSA-N 0 3 255.308 2.354 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)[C@H]1CCCO1 ZINC000248632875 539638650 /nfs/dbraw/zinc/63/86/50/539638650.db2.gz WXXDMGAQJIQCAE-QKGCVVFFSA-N 0 3 282.428 2.322 10 0 CEAEHN CCN[C@@](C)(CC(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000087549448 179444215 /nfs/dbraw/zinc/44/42/15/179444215.db2.gz UYZSLFYSJWTMRT-LBPRGKRZSA-N 0 3 290.285 2.285 10 0 CEAEHN c1ncc([C@@H]2COCCN(Cc3ccccc3)C2)o1 ZINC000616659919 348551982 /nfs/dbraw/zinc/55/19/82/348551982.db2.gz KESITHRCVZGOJP-AWEZNQCLSA-N 0 3 258.321 2.291 10 0 CEAEHN CCOC(=O)c1ccccc1[C@H]1CNCCN1C(C)C ZINC000616636673 348542897 /nfs/dbraw/zinc/54/28/97/348542897.db2.gz AJRNJFHYNQTMSA-OAHLLOKOSA-N 0 3 276.380 2.218 10 0 CEAEHN CC(C)N1CCOC[C@H](c2cccc(CCO)c2)C1 ZINC000616660595 348552197 /nfs/dbraw/zinc/55/21/97/348552197.db2.gz OCBAVWHIWGTXII-MRXNPFEDSA-N 0 3 263.381 2.046 10 0 CEAEHN Cc1cc([C@@H](CN)NCC(F)(F)F)ccc1F ZINC000087929449 179525059 /nfs/dbraw/zinc/52/50/59/179525059.db2.gz JXQNYHDNVLQMRZ-SNVBAGLBSA-N 0 3 250.239 2.286 10 0 CEAEHN CCN1CCO[C@@H](c2cccc3ccnnc32)CC1 ZINC000616592579 348527706 /nfs/dbraw/zinc/52/77/06/348527706.db2.gz CKKYMJJZUCBIMF-CQSZACIVSA-N 0 3 257.337 2.413 10 0 CEAEHN CCN1CCO[C@H](c2ccc(NC(C)=O)cc2)CC1 ZINC000616595924 348528160 /nfs/dbraw/zinc/52/81/60/348528160.db2.gz ZTLUSDHADRLIQI-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN CCCOc1ccc(CNCCOC)c(OCOC)c1 ZINC000087888184 179512221 /nfs/dbraw/zinc/51/22/21/179512221.db2.gz ICWMJLRAZYGWKG-UHFFFAOYSA-N 0 3 283.368 2.194 10 0 CEAEHN OCCN1CCCC[C@H]1c1ccc2ccnnc2c1 ZINC000616616874 348535750 /nfs/dbraw/zinc/53/57/50/348535750.db2.gz ZRHOPGOCFLMSIL-HNNXBMFYSA-N 0 3 257.337 2.149 10 0 CEAEHN Nc1ncccc1[C@@H](N)[C@H]1CCOc2ccccc21 ZINC000088019691 179536401 /nfs/dbraw/zinc/53/64/01/179536401.db2.gz UMFBDPWAHAWWON-FZMZJTMJSA-N 0 3 255.321 2.230 10 0 CEAEHN CN[C@H](C)c1cnn(CCc2ccc3c(c2)CCO3)c1 ZINC000088106306 179549757 /nfs/dbraw/zinc/54/97/57/179549757.db2.gz PRCYXOXTJGRZHZ-GFCCVEGCSA-N 0 3 271.364 2.341 10 0 CEAEHN Nc1ccccc1[C@H]1c2ccccc2CCN1CCO ZINC000616679374 348558307 /nfs/dbraw/zinc/55/83/07/348558307.db2.gz USBLFKRGXDMZCH-QGZVFWFLSA-N 0 3 268.360 2.209 10 0 CEAEHN CCCCc1nc(Cl)c(CNC[C@H](C)CO)[nH]1 ZINC000088399376 179593154 /nfs/dbraw/zinc/59/31/54/179593154.db2.gz QZVQACJOPISVTF-VIFPVBQESA-N 0 3 259.781 2.124 10 0 CEAEHN CCNCc1ccc(S(=O)(=O)NC[C@H](C)CC)s1 ZINC000089025894 179692883 /nfs/dbraw/zinc/69/28/83/179692883.db2.gz WUPPBDWJYCWRDL-SNVBAGLBSA-N 0 3 290.454 2.182 10 0 CEAEHN NC[C@H](c1ccc(Cl)cc1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104307099 185961869 /nfs/dbraw/zinc/96/18/69/185961869.db2.gz FWZUYEOWTAXNAP-IZGVIRRGSA-N 0 3 280.799 2.328 10 0 CEAEHN CCCc1ccc([C@@H](C)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000089751581 179859837 /nfs/dbraw/zinc/85/98/37/179859837.db2.gz WMXRPDGCJAJQMW-RISCZKNCSA-N 0 3 274.364 2.095 10 0 CEAEHN CCn1cncc1[C@H](CN)N(C)Cc1cccs1 ZINC000090174379 179926103 /nfs/dbraw/zinc/92/61/03/179926103.db2.gz PFCNJNRGEYJNKI-LBPRGKRZSA-N 0 3 264.398 2.096 10 0 CEAEHN CC(C)C[C@@](C)(O)CNC[C@@H](O)c1cc(F)ccc1F ZINC000090272359 179944890 /nfs/dbraw/zinc/94/48/90/179944890.db2.gz DEZFNWIPCXAVOO-HUUCEWRRSA-N 0 3 287.350 2.385 10 0 CEAEHN C[C@@H](NC[C@](C)(O)CO)c1cccc(C(F)(F)F)c1 ZINC000090285036 179949151 /nfs/dbraw/zinc/94/91/51/179949151.db2.gz JUVWRKZTZGFWOJ-SKDRFNHKSA-N 0 3 277.286 2.099 10 0 CEAEHN CC(C)C[C@@](C)(O)CNCc1cnn2ccccc12 ZINC000090269009 179943412 /nfs/dbraw/zinc/94/34/12/179943412.db2.gz CMDZSMDOBIXFQU-OAHLLOKOSA-N 0 3 261.369 2.221 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@H](C)n1cc(CNC(C)(C)C)nn1 ZINC000090298207 179953281 /nfs/dbraw/zinc/95/32/81/179953281.db2.gz ROQLATHWKSVDLG-RYUDHWBXSA-N 0 3 295.431 2.032 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000623763771 350105712 /nfs/dbraw/zinc/10/57/12/350105712.db2.gz OOHKWVOKQYYCDH-NWDGAFQWSA-N 0 3 276.163 2.233 10 0 CEAEHN CCCn1c2cc(F)ccc2nc1[C@]1(C)COC[C@H]1N ZINC000090571858 180007838 /nfs/dbraw/zinc/00/78/38/180007838.db2.gz ILEGBBBFMFTFAB-UKRRQHHQSA-N 0 3 277.343 2.201 10 0 CEAEHN CCCCc1ccc(NC(=O)[C@]2(C)COC[C@@H]2N)cc1 ZINC000090582901 180008661 /nfs/dbraw/zinc/00/86/61/180008661.db2.gz ROYLSMDEBDPNJI-GOEBONIOSA-N 0 3 276.380 2.332 10 0 CEAEHN Cc1ccccc1[C@@H]1CCCN1C(=O)[C@]1(C)COC[C@@H]1N ZINC000090593812 180010045 /nfs/dbraw/zinc/01/00/45/180010045.db2.gz ZNTAZVVOHPYUMJ-YQQAZPJKSA-N 0 3 288.391 2.022 10 0 CEAEHN C[C@H](c1ccccc1Cl)N(C)C(=O)[C@]1(C)COC[C@@H]1N ZINC000090592118 180010243 /nfs/dbraw/zinc/01/02/43/180010243.db2.gz GBRNEJZUBNUBTB-RIEGTJTDSA-N 0 3 296.798 2.223 10 0 CEAEHN CCS(=O)(=O)CCCSc1cccc(CN)c1 ZINC000090870337 180049249 /nfs/dbraw/zinc/04/92/49/180049249.db2.gz RQJUMEXEKYXSOQ-UHFFFAOYSA-N 0 3 273.423 2.062 10 0 CEAEHN CCCNC(=O)CSc1cccc(CNCCOC)c1 ZINC000090873125 180050252 /nfs/dbraw/zinc/05/02/52/180050252.db2.gz SOLIBGQJYSADOH-UHFFFAOYSA-N 0 3 296.436 2.041 10 0 CEAEHN CCNCc1ccnn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895609 180056467 /nfs/dbraw/zinc/05/64/67/180056467.db2.gz FZEMJONZVDDRES-AWEZNQCLSA-N 0 3 275.327 2.135 10 0 CEAEHN COC(=O)[C@@H](C)CN(C)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900863 180059096 /nfs/dbraw/zinc/05/90/96/180059096.db2.gz MSSZJPNJSHPBGP-GWCFXTLKSA-N 0 3 297.782 2.384 10 0 CEAEHN CC(C)Oc1cccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905830 180060789 /nfs/dbraw/zinc/06/07/89/180060789.db2.gz PNRXLBQXCMBJIW-BBWFWOEESA-N 0 3 290.407 2.337 10 0 CEAEHN NC[C@@H](c1cccc2cccnc21)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905902 180061113 /nfs/dbraw/zinc/06/11/13/180061113.db2.gz YIOANAGBSZUFTH-LZWOXQAQSA-N 0 3 283.375 2.098 10 0 CEAEHN C[C@@H](NCc1ccccc1N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000090962096 180076210 /nfs/dbraw/zinc/07/62/10/180076210.db2.gz QMBDVMOPLSARJQ-SNVBAGLBSA-N 0 3 282.347 2.289 10 0 CEAEHN CCOC[C@@H](C)NCc1ccccc1NC(C)=O ZINC000090962478 180077085 /nfs/dbraw/zinc/07/70/85/180077085.db2.gz BKEKSRUQKFZNOW-LLVKDONJSA-N 0 3 250.342 2.160 10 0 CEAEHN CCNCc1cccn1CC(=O)Nc1cccc(OC)c1 ZINC000090995875 180082574 /nfs/dbraw/zinc/08/25/74/180082574.db2.gz DLGJZMHKOYFENE-UHFFFAOYSA-N 0 3 287.363 2.245 10 0 CEAEHN CCCn1cccc1CN[C@@H](CC(C)C)C(=O)NC ZINC000091025282 180089628 /nfs/dbraw/zinc/08/96/28/180089628.db2.gz RZMZRDLLBWLOPC-AWEZNQCLSA-N 0 3 265.401 2.148 10 0 CEAEHN C(SC1CCCC1)c1noc(C[C@H]2CSCCN2)n1 ZINC000091129188 180100800 /nfs/dbraw/zinc/10/08/00/180100800.db2.gz QSCJXSYCYQMDBH-JTQLQIEISA-N 0 3 299.465 2.493 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)OC1CCCCCC1 ZINC000091130020 180101108 /nfs/dbraw/zinc/10/11/08/180101108.db2.gz NVESAODEVPAQHM-LLVKDONJSA-N 0 3 257.399 2.348 10 0 CEAEHN CCN(CC[C@H]1CNCCO1)c1ccc(F)cc1 ZINC000091314106 180133509 /nfs/dbraw/zinc/13/35/09/180133509.db2.gz LBVQOEYSMTWBQM-AWEZNQCLSA-N 0 3 252.333 2.031 10 0 CEAEHN COCCNCc1cnn([C@H](C)C2CC2)c1C1CC1 ZINC000091338102 180136474 /nfs/dbraw/zinc/13/64/74/180136474.db2.gz WKVGGZYKIBWMRW-LLVKDONJSA-N 0 3 263.385 2.468 10 0 CEAEHN c1cn2c(cn1)nnc2[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091355275 180138912 /nfs/dbraw/zinc/13/89/12/180138912.db2.gz VEFDWZJZJFMZQS-SRVKXCTJSA-N 0 3 257.341 2.108 10 0 CEAEHN CC(C)n1cncc1[C@H](O)[C@@H]1NCc2ccccc21 ZINC000091273627 180118023 /nfs/dbraw/zinc/11/80/23/180118023.db2.gz MIWOIMMUMNCNIQ-CABCVRRESA-N 0 3 257.337 2.342 10 0 CEAEHN CN(Cc1cccs1)[C@@H](CN)c1cncn1C1CC1 ZINC000091276249 180119556 /nfs/dbraw/zinc/11/95/56/180119556.db2.gz YERRUQABEGORRE-ZDUSSCGKSA-N 0 3 276.409 2.411 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cncn2C2CC2)C[C@@H](C)S1 ZINC000091276595 180120303 /nfs/dbraw/zinc/12/03/03/180120303.db2.gz WKNQPVNUDPCHAE-WZRBSPASSA-N 0 3 280.441 2.044 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)N1CCC2(CCCC2)CC1 ZINC000091291284 180122585 /nfs/dbraw/zinc/12/25/85/180122585.db2.gz HYNKIEJGMFGKJH-CYBMUJFWSA-N 0 3 282.453 2.264 10 0 CEAEHN CCn1c(C[C@@H]2CNCCO2)nc2cc(Cl)ccc21 ZINC000091293223 180123995 /nfs/dbraw/zinc/12/39/95/180123995.db2.gz VILSALPEYGCDIG-LLVKDONJSA-N 0 3 279.771 2.241 10 0 CEAEHN CC(C)(C)n1c(C[C@@H]2CNCCO2)nc2ccccc21 ZINC000091293177 180124134 /nfs/dbraw/zinc/12/41/34/180124134.db2.gz QPOKNCZPCLATQI-GFCCVEGCSA-N 0 3 273.380 2.322 10 0 CEAEHN CC1(C)CCC(c2noc(C[C@H]3CNCCO3)n2)CC1 ZINC000091295184 180124814 /nfs/dbraw/zinc/12/48/14/180124814.db2.gz NQALEUYFXWUATK-LBPRGKRZSA-N 0 3 279.384 2.284 10 0 CEAEHN CCOc1ccccc1Oc1cncc(CNC)n1 ZINC000091434270 180154087 /nfs/dbraw/zinc/15/40/87/180154087.db2.gz NVEPHTQFPUHOLT-UHFFFAOYSA-N 0 3 259.309 2.387 10 0 CEAEHN C[C@@H](C(=O)c1ccc(F)cc1)N1CCC[C@H](N(C)C)C1 ZINC000091393196 180145696 /nfs/dbraw/zinc/14/56/96/180145696.db2.gz RUAYAZSTYFVZOI-WFASDCNBSA-N 0 3 278.371 2.423 10 0 CEAEHN CC(C)NCc1cncc(-n2ncc3ccccc32)n1 ZINC000091422278 180151237 /nfs/dbraw/zinc/15/12/37/180151237.db2.gz ROYZBDVZISLHIL-UHFFFAOYSA-N 0 3 267.336 2.314 10 0 CEAEHN CCNCc1cncc(-n2cc(-c3ccccc3)cn2)n1 ZINC000091422533 180151365 /nfs/dbraw/zinc/15/13/65/180151365.db2.gz DDYKZJMABCFKLA-UHFFFAOYSA-N 0 3 279.347 2.439 10 0 CEAEHN CCc1nc(CC)n(-c2cncc(CNC(C)(C)C)n2)n1 ZINC000091422605 180151496 /nfs/dbraw/zinc/15/14/96/180151496.db2.gz DGUQCYKKSOWVCZ-UHFFFAOYSA-N 0 3 288.399 2.070 10 0 CEAEHN CN[C@H](c1cccnc1N)C(C)(C)N1CCCCC1 ZINC000091565008 180193213 /nfs/dbraw/zinc/19/32/13/180193213.db2.gz UVTXWOSDIBJBIV-CYBMUJFWSA-N 0 3 262.401 2.189 10 0 CEAEHN CCN[C@H](c1nccn1C)C(C)(C)N1CCCCC1 ZINC000091565117 180193491 /nfs/dbraw/zinc/19/34/91/180193491.db2.gz SMXDZIGGXHZCTJ-CYBMUJFWSA-N 0 3 264.417 2.335 10 0 CEAEHN Cc1cc(F)ccc1[C@H](N)C(C)(C)N1CCOCC1 ZINC000091566315 180194060 /nfs/dbraw/zinc/19/40/60/180194060.db2.gz YPGRTGYXBBUFDT-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN CN[C@@H](c1c(F)cccc1F)C(C)(C)N1CCOCC1 ZINC000091566555 180194102 /nfs/dbraw/zinc/19/41/02/180194102.db2.gz GFTHGPZTQYKQBE-AWEZNQCLSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCN[C@H](c1ccoc1)C(C)(C)N1CCOCC1 ZINC000091567189 180194685 /nfs/dbraw/zinc/19/46/85/180194685.db2.gz DPPJAJSXIZRRLH-CQSZACIVSA-N 0 3 266.385 2.431 10 0 CEAEHN CCN[C@H](c1ccccc1OC)C(C)(C)N1CCOCC1 ZINC000091566807 180195150 /nfs/dbraw/zinc/19/51/50/180195150.db2.gz NRONQYLMUIIUMZ-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@@H](c1cnccn1)[C@@](C)(CC)N(C)C ZINC000091571780 180196719 /nfs/dbraw/zinc/19/67/19/180196719.db2.gz QTZLKZYICBQNLU-UONOGXRCSA-N 0 3 250.390 2.248 10 0 CEAEHN CC[C@](C)(C(=O)Cc1cccnc1N)N1CCCC1 ZINC000091602129 180203175 /nfs/dbraw/zinc/20/31/75/180203175.db2.gz UEGXTBPHXFNOPN-OAHLLOKOSA-N 0 3 261.369 2.040 10 0 CEAEHN CC[C@](C)([C@H](N)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091611922 180206246 /nfs/dbraw/zinc/20/62/46/180206246.db2.gz AHMLPUMDAANFFD-HUUCEWRRSA-N 0 3 284.350 2.466 10 0 CEAEHN CCN[C@@H](c1cncnc1)C1(N(C)C)CCCCC1 ZINC000091647756 180215597 /nfs/dbraw/zinc/21/55/97/180215597.db2.gz RDZDGNUTBQEYPT-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN CCc1cc(CC(=O)C2(N(C)C)CCCCC2)n(C)n1 ZINC000091646519 180215705 /nfs/dbraw/zinc/21/57/05/180215705.db2.gz TVXFLZQZBZGHPL-UHFFFAOYSA-N 0 3 277.412 2.359 10 0 CEAEHN C[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1c(F)cccc1F ZINC000091662318 180220089 /nfs/dbraw/zinc/22/00/89/180220089.db2.gz JOEITTKJMWLXDT-YNEHKIRRSA-N 0 3 296.361 2.479 10 0 CEAEHN CC(C)Oc1ccc([C@H](O)[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091715662 180232415 /nfs/dbraw/zinc/23/24/15/180232415.db2.gz OAAWUDHOAAJZPI-PVAVHDDUSA-N 0 3 291.391 2.370 10 0 CEAEHN CCN[C@@H](c1ccc(CC)cc1)[C@H]1CN(C)CCO1 ZINC000091718748 180233243 /nfs/dbraw/zinc/23/32/43/180233243.db2.gz KMNGULFQECHFDE-CVEARBPZSA-N 0 3 262.397 2.230 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1F)[C@H]1CN(C)CCO1 ZINC000091718985 180233306 /nfs/dbraw/zinc/23/33/06/180233306.db2.gz PZNGWMKODIIVAU-HUUCEWRRSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCN[C@@H](c1cc(F)cc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719278 180234396 /nfs/dbraw/zinc/23/43/96/180234396.db2.gz BXENFVHRBAJWAJ-GJZGRUSLSA-N 0 3 284.350 2.336 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1cccc(Cl)c1 ZINC000624235620 350239277 /nfs/dbraw/zinc/23/92/77/350239277.db2.gz NHEVPWXRSYXEHK-BIMULSAOSA-N 0 3 255.745 2.140 10 0 CEAEHN C[C@H]1C[C@H](N[C@H]2CCOC[C@H]2O)c2ccsc2S1 ZINC000624236926 350240268 /nfs/dbraw/zinc/24/02/68/350240268.db2.gz MUTBEKIUWVWQTH-PDEGPIFNSA-N 0 3 285.434 2.413 10 0 CEAEHN CN[C@@H]1CCCc2sc([C@@H]3CN4CCC[C@@H]4CO3)nc21 ZINC000091722538 180240801 /nfs/dbraw/zinc/24/08/01/180240801.db2.gz HWZCTRHRJPKFKX-UTUOFQBUSA-N 0 3 293.436 2.276 10 0 CEAEHN CN[C@@H]1CC(C)(C)Cc2nc([C@H]3CN(C)CCO3)sc21 ZINC000091722479 180240919 /nfs/dbraw/zinc/24/09/19/180240919.db2.gz ODXJTMRVRMZTBP-ZYHUDNBSSA-N 0 3 295.452 2.379 10 0 CEAEHN CCCN[C@H](c1ccoc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722289 180241098 /nfs/dbraw/zinc/24/10/98/180241098.db2.gz PZUNBHYOFWHHGN-QLFBSQMISA-N 0 3 264.369 2.184 10 0 CEAEHN CN1CCO[C@H](CNCc2cc(Cl)cc(Cl)c2)C1 ZINC000105470790 186058933 /nfs/dbraw/zinc/05/89/33/186058933.db2.gz PRYOGBKJCVIMMQ-CYBMUJFWSA-N 0 3 289.206 2.414 10 0 CEAEHN CCCNCc1ncoc1-c1ccc(S(C)(=O)=O)cc1 ZINC000091958175 180292760 /nfs/dbraw/zinc/29/27/60/180292760.db2.gz VXWLHVWYTOFNIX-UHFFFAOYSA-N 0 3 294.376 2.245 10 0 CEAEHN C[C@@H]1CCCN(C(=O)N[C@H]2c3ccccc3C[C@@H]2N)C1 ZINC000091993163 180300450 /nfs/dbraw/zinc/30/04/50/180300450.db2.gz VKUXNYLWILLQTJ-UGFHNGPFSA-N 0 3 273.380 2.053 10 0 CEAEHN CNCc1nc(C)ccc1OCC(=O)Nc1ccccc1 ZINC000091994293 180301192 /nfs/dbraw/zinc/30/11/92/180301192.db2.gz RJPTVUFPKMEMAA-UHFFFAOYSA-N 0 3 285.347 2.127 10 0 CEAEHN CCNCc1nc(C)ccc1OC[C@H]1CCCO1 ZINC000091994894 180301622 /nfs/dbraw/zinc/30/16/22/180301622.db2.gz ZHIKXVFGDRFKBV-GFCCVEGCSA-N 0 3 250.342 2.057 10 0 CEAEHN Cc1ccc([O-])c(CN(C)[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000091996217 180301756 /nfs/dbraw/zinc/30/17/56/180301756.db2.gz ZOZGXGWBIPMCGJ-TZMCWYRMSA-N 0 3 263.385 2.045 10 0 CEAEHN Cc1ccc(O[C@H]2CCC[C@H]2O)c(CNC(C)C)n1 ZINC000091995530 180302194 /nfs/dbraw/zinc/30/21/94/180302194.db2.gz QGZJWEPFCKQJQZ-HIFRSBDPSA-N 0 3 264.369 2.180 10 0 CEAEHN Cc1cc(N)ccc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000092080834 180319469 /nfs/dbraw/zinc/31/94/69/180319469.db2.gz NGGKFRIKJWWMSQ-XQQFMLRXSA-N 0 3 275.396 2.492 10 0 CEAEHN CCC[C@H](C(=O)N1CCc2cc(F)ccc2C1)N(C)C ZINC000092097681 180323811 /nfs/dbraw/zinc/32/38/11/180323811.db2.gz KOBDTPSEOQXMSX-OAHLLOKOSA-N 0 3 278.371 2.441 10 0 CEAEHN COc1ncccc1CNC[C@@H]1COc2ccccc21 ZINC000092299695 180358796 /nfs/dbraw/zinc/35/87/96/180358796.db2.gz ZLEDQJVJYYKPOL-CYBMUJFWSA-N 0 3 270.332 2.356 10 0 CEAEHN COc1cccc(CN2CCCN(c3cccnn3)CC2)c1 ZINC000105909370 186087705 /nfs/dbraw/zinc/08/77/05/186087705.db2.gz RGBDULXRDRAYRS-UHFFFAOYSA-N 0 3 298.390 2.198 10 0 CEAEHN CCOCCN1CCN(CCOCCC(C)C)C[C@@H]1C ZINC000105914085 186088867 /nfs/dbraw/zinc/08/88/67/186088867.db2.gz SOYBMCHPZMBFNQ-INIZCTEOSA-N 0 3 286.460 2.092 10 0 CEAEHN CCOC(=O)C[C@H](C)N[C@H](C)c1c(C)noc1C ZINC000092339389 180364931 /nfs/dbraw/zinc/36/49/31/180364931.db2.gz ZVAZGTQPJZYEKY-DTWKUNHWSA-N 0 3 254.330 2.284 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)N1CCC[C@H](NC2CC2)C1=O ZINC000092341992 180366077 /nfs/dbraw/zinc/36/60/77/180366077.db2.gz LTFUWBXQAPLTIS-MFKMUULPSA-N 0 3 277.368 2.095 10 0 CEAEHN Cc1noc(C)c1[C@H](C)N1CCC[C@@H](NC2CC2)C1=O ZINC000092341995 180366130 /nfs/dbraw/zinc/36/61/30/180366130.db2.gz LTFUWBXQAPLTIS-GXFFZTMASA-N 0 3 277.368 2.095 10 0 CEAEHN CNc1cccc(CN(CCN(C)C)CC(C)C)n1 ZINC000092368724 180369989 /nfs/dbraw/zinc/36/99/89/180369989.db2.gz GXLJTCUJQXDPBT-UHFFFAOYSA-N 0 3 264.417 2.143 10 0 CEAEHN CCNc1ccnc(CN(CC)CCOCC)c1 ZINC000092419241 180382485 /nfs/dbraw/zinc/38/24/85/180382485.db2.gz RZSZVUXPGKIHLQ-UHFFFAOYSA-N 0 3 251.374 2.372 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@H](n1ccc(C)n1)CC2 ZINC000092386197 180373511 /nfs/dbraw/zinc/37/35/11/180373511.db2.gz TZPLNODCHMZFLF-HUUCEWRRSA-N 0 3 257.337 2.387 10 0 CEAEHN CC[C@@H]1CN([C@@H]2CCc3ccc(OC)cc3[C@@H]2N)CCO1 ZINC000092385562 180373903 /nfs/dbraw/zinc/37/39/03/180373903.db2.gz JLIVFKLIAHLZHR-XYPHTWIQSA-N 0 3 290.407 2.121 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@H]1n1cccn1 ZINC000092385991 180374111 /nfs/dbraw/zinc/37/41/11/180374111.db2.gz XXEVSHXXNIAPOC-HUUCEWRRSA-N 0 3 257.337 2.340 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450879 180387939 /nfs/dbraw/zinc/38/79/39/180387939.db2.gz POMCEVDWOPSWNC-CYBMUJFWSA-N 0 3 270.417 2.436 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450879 180387940 /nfs/dbraw/zinc/38/79/40/180387940.db2.gz POMCEVDWOPSWNC-CYBMUJFWSA-N 0 3 270.417 2.436 10 0 CEAEHN COC(=O)c1cc(Cl)ccc1NC(=O)CNC(C)(C)C ZINC000092460650 180389852 /nfs/dbraw/zinc/38/98/52/180389852.db2.gz SOQPFALMIIZHKZ-UHFFFAOYSA-N 0 3 298.770 2.453 10 0 CEAEHN Cc1cc(NC[C@@H]2CN(C)CCO2)c2ccccc2n1 ZINC000108945679 186237395 /nfs/dbraw/zinc/23/73/95/186237395.db2.gz JYPYIIHMWONLJS-CYBMUJFWSA-N 0 3 271.364 2.286 10 0 CEAEHN NNc1cc(C2CC2)nc(Cc2cccc(F)c2)n1 ZINC000109527389 186259846 /nfs/dbraw/zinc/25/98/46/186259846.db2.gz XWEPRQCQMMESQM-UHFFFAOYSA-N 0 3 258.300 2.370 10 0 CEAEHN NNc1cc(C2CC2)nc(-c2ccc3c(c2)OCCO3)n1 ZINC000109528076 186260186 /nfs/dbraw/zinc/26/01/86/186260186.db2.gz UCBXBBFZLFQGRE-UHFFFAOYSA-N 0 3 284.319 2.078 10 0 CEAEHN Cc1nn(C)c(Oc2cc(F)ccc2F)c1CN ZINC000109354555 186249577 /nfs/dbraw/zinc/24/95/77/186249577.db2.gz OZZLIDXRTQDOAB-UHFFFAOYSA-N 0 3 253.252 2.258 10 0 CEAEHN C[C@H]1CCCN(Cc2cccnc2C(N)=S)CC1 ZINC000110804553 186326568 /nfs/dbraw/zinc/32/65/68/186326568.db2.gz RJIPIOXJWZTRRZ-NSHDSACASA-N 0 3 263.410 2.338 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)CC1CCCC1)NC1CC1 ZINC000110841187 186328717 /nfs/dbraw/zinc/32/87/17/186328717.db2.gz HYIKYOWSNORSPZ-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc(Cl)s2)CCN1C ZINC000110701624 186314551 /nfs/dbraw/zinc/31/45/51/186314551.db2.gz ASWBHIFNJYXZTK-ZJUUUORDSA-N 0 3 273.833 2.037 10 0 CEAEHN Cc1ccc([C@@H](O)[C@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110736509 186318607 /nfs/dbraw/zinc/31/86/07/186318607.db2.gz ZNSNNUVWUBBKBA-HOCLYGCPSA-N 0 3 276.424 2.443 10 0 CEAEHN CCNc1ncccc1CN1CCN(C)C(C)(C)C1 ZINC000110743226 186319262 /nfs/dbraw/zinc/31/92/62/186319262.db2.gz LSZPSDADZXCPAT-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN Cc1ccccc1NCCN1CCN(C)C(C)(C)C1 ZINC000110758038 186320590 /nfs/dbraw/zinc/32/05/90/186320590.db2.gz ARXBQLXUFGOCCU-UHFFFAOYSA-N 0 3 261.413 2.433 10 0 CEAEHN CC[C@H]1CN(c2nc(C(C)(C)C)c(CN)s2)CCN1C ZINC000110760236 186323278 /nfs/dbraw/zinc/32/32/78/186323278.db2.gz KBBQACVXTPDVBL-NSHDSACASA-N 0 3 296.484 2.430 10 0 CEAEHN CN[C@@H](C)c1cc(F)ccc1SCCS(C)(=O)=O ZINC000111005080 186342489 /nfs/dbraw/zinc/34/24/89/186342489.db2.gz KOPOQCDESRTSCT-VIFPVBQESA-N 0 3 291.413 2.243 10 0 CEAEHN NC(=O)c1cc(F)ccc1N1CCNCc2ccccc21 ZINC000111027411 186345724 /nfs/dbraw/zinc/34/57/24/186345724.db2.gz PICIITALKUUKII-UHFFFAOYSA-N 0 3 285.322 2.166 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cccc(F)c2F)CCCO1 ZINC000111040003 186346756 /nfs/dbraw/zinc/34/67/56/186346756.db2.gz PBKRCKASUNORCM-GWCFXTLKSA-N 0 3 270.323 2.075 10 0 CEAEHN CCNc1c(F)cc(C(=O)N(C)CCN(C)C)cc1F ZINC000111151355 186360631 /nfs/dbraw/zinc/36/06/31/186360631.db2.gz KYDYZDMRIDETLL-UHFFFAOYSA-N 0 3 285.338 2.030 10 0 CEAEHN NC(=O)c1ccc(CNC[C@@H]2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC000111087844 186351516 /nfs/dbraw/zinc/35/15/16/186351516.db2.gz WEPVECGONWNYJD-WDMOLILDSA-N 0 3 276.355 2.450 10 0 CEAEHN CCCOCCO[C@H](CN)c1ccccc1OC ZINC000111105588 186352278 /nfs/dbraw/zinc/35/22/78/186352278.db2.gz CZUZCLIUXRYDOM-CQSZACIVSA-N 0 3 253.342 2.138 10 0 CEAEHN NN=c1[nH]cc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC000111104340 186352849 /nfs/dbraw/zinc/35/28/49/186352849.db2.gz FBVRAHRGKXHXNN-IVZWLZJFSA-N 0 3 294.786 2.187 10 0 CEAEHN CCOCCN(CC)Cc1ccc(F)cc1C(N)=S ZINC000111119341 186354752 /nfs/dbraw/zinc/35/47/52/186354752.db2.gz YJPLEMHVLFHHNN-UHFFFAOYSA-N 0 3 284.400 2.318 10 0 CEAEHN CSc1ccc(C(=O)CN(C)CCN(C)C)cc1 ZINC000111139763 186356895 /nfs/dbraw/zinc/35/68/95/186356895.db2.gz LHSLVXVVBHYFBY-UHFFFAOYSA-N 0 3 266.410 2.085 10 0 CEAEHN CN(C)CCN(C)CC(=O)c1ccccc1Cl ZINC000111139682 186357730 /nfs/dbraw/zinc/35/77/30/186357730.db2.gz IVRJQFKDIOPECE-UHFFFAOYSA-N 0 3 254.761 2.016 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@H]1N(C)CC1CCOCC1 ZINC000111162277 186363990 /nfs/dbraw/zinc/36/39/90/186363990.db2.gz VRNBCQHJVRRPDP-NVXWUHKLSA-N 0 3 290.407 2.067 10 0 CEAEHN NCc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)nc1 ZINC000111282257 186387584 /nfs/dbraw/zinc/38/75/84/186387584.db2.gz OWMPLXRASYHRAO-OAHLLOKOSA-N 0 3 281.359 2.170 10 0 CEAEHN Cc1cc(C)cc(N(C)C(=O)c2ccc(CN)cn2)c1 ZINC000111282213 186388411 /nfs/dbraw/zinc/38/84/11/186388411.db2.gz DWOKRHSDTHBMGB-UHFFFAOYSA-N 0 3 269.348 2.434 10 0 CEAEHN CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)c1ccc(CN)cn1 ZINC000111282631 186389432 /nfs/dbraw/zinc/38/94/32/186389432.db2.gz GSEDTUDBCFCECN-YUTCNCBUSA-N 0 3 273.380 2.049 10 0 CEAEHN Cc1c(Cl)ncnc1N[C@H](CN(C)C)C(C)C ZINC000111297618 186392955 /nfs/dbraw/zinc/39/29/55/186392955.db2.gz QQJUYDMJYHDEJY-SNVBAGLBSA-N 0 3 256.781 2.437 10 0 CEAEHN COCCNCc1c(C)nn(C)c1SC(C)(C)C ZINC000111554027 186427700 /nfs/dbraw/zinc/42/77/00/186427700.db2.gz TWNBDAYLKXMPFR-UHFFFAOYSA-N 0 3 271.430 2.355 10 0 CEAEHN CC(C)COC[C@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000116404525 186711840 /nfs/dbraw/zinc/71/18/40/186711840.db2.gz DYZYWSQHQWBKDG-ZIAGYGMSSA-N 0 3 267.369 2.450 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000236940195 370659768 /nfs/dbraw/zinc/65/97/68/370659768.db2.gz XTJIHTLNPXKCPD-GWCFXTLKSA-N 0 3 250.342 2.460 10 0 CEAEHN CC[C@](C)(O)CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000123600027 187100535 /nfs/dbraw/zinc/10/05/35/187100535.db2.gz BRFHINCBFGHCRC-HNNXBMFYSA-N 0 3 297.830 2.014 10 0 CEAEHN N[C@@H](CO)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000072199233 363120809 /nfs/dbraw/zinc/12/08/09/363120809.db2.gz IEIILWIPBWKNIJ-ZETCQYMHSA-N 0 3 255.623 2.231 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CCCOC1 ZINC000252693236 539893240 /nfs/dbraw/zinc/89/32/40/539893240.db2.gz IQLRBEIFJVLVEX-BZUAXINKSA-N 0 3 266.429 2.362 10 0 CEAEHN CC[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)cc1F ZINC000154952942 188173275 /nfs/dbraw/zinc/17/32/75/188173275.db2.gz BVBKIMSQXZFYKV-IUODEOHRSA-N 0 3 284.350 2.336 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccnc(Cl)c2)[C@@H](C)C1 ZINC000155594231 188215722 /nfs/dbraw/zinc/21/57/22/188215722.db2.gz IHWNOUOBNOXERG-JQWIXIFHSA-N 0 3 281.787 2.194 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000155755049 188225584 /nfs/dbraw/zinc/22/55/84/188225584.db2.gz ZDMREDANNLSBGZ-HZMBPMFUSA-N 0 3 282.334 2.423 10 0 CEAEHN C[C@H](N)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000158157257 188360604 /nfs/dbraw/zinc/36/06/04/188360604.db2.gz CQMOPLYVJKVDCH-XVKPBYJWSA-N 0 3 278.249 2.283 10 0 CEAEHN C[C@H](N)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000158157550 188360925 /nfs/dbraw/zinc/36/09/25/188360925.db2.gz CQMOPLYVJKVDCH-OIBJUYFYSA-N 0 3 278.249 2.283 10 0 CEAEHN Cc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)nn1C ZINC000337275028 366120877 /nfs/dbraw/zinc/12/08/77/366120877.db2.gz FSXZXYDZNNWRNF-OAGGEKHMSA-N 0 3 277.412 2.244 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCOCC1)c1cc2ccccc2o1 ZINC000132118743 366119713 /nfs/dbraw/zinc/11/97/13/366119713.db2.gz LJGAUGNQLWXZEY-NSHDSACASA-N 0 3 288.347 2.118 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCCOc2ccccc2F)C1 ZINC000170864678 188698861 /nfs/dbraw/zinc/69/88/61/188698861.db2.gz BEQGDHISGSUKQE-CYBMUJFWSA-N 0 3 294.370 2.147 10 0 CEAEHN Cc1cncc(C2=C[C@H](N)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000675079107 540119486 /nfs/dbraw/zinc/11/94/86/540119486.db2.gz WJWLDARFGZTGMF-AWEZNQCLSA-N 0 3 289.379 2.351 10 0 CEAEHN CN[C@H](C)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000054076382 540200741 /nfs/dbraw/zinc/20/07/41/540200741.db2.gz UNEJLTBLNBNGHQ-SECBINFHSA-N 0 3 274.286 2.272 10 0 CEAEHN CCN1CCC[C@H](N[C@@H](C)c2ccc(F)cn2)C1 ZINC000133955495 366270394 /nfs/dbraw/zinc/27/03/94/366270394.db2.gz XVVIMHTVDNXDCY-AAEUAGOBSA-N 0 3 251.349 2.356 10 0 CEAEHN COc1c(CNCCc2ccccc2)c(C)nn1C ZINC000134093884 366284601 /nfs/dbraw/zinc/28/46/01/366284601.db2.gz WXDPNIMRASLMJJ-UHFFFAOYSA-N 0 3 259.353 2.069 10 0 CEAEHN C[C@H]1COC[C@]1(N)c1cscc1Br ZINC000575568362 366295652 /nfs/dbraw/zinc/29/56/52/366295652.db2.gz CNABZLJECVGOQA-IMTBSYHQSA-N 0 3 262.172 2.331 10 0 CEAEHN CCc1cc(I)c(CN)c(OC)c1 ZINC000575725184 366347662 /nfs/dbraw/zinc/34/76/62/366347662.db2.gz HGTGETMHTDNNQT-UHFFFAOYSA-N 0 3 291.132 2.321 10 0 CEAEHN Cc1ncc(CN(C)C[C@@H]2CCC[C@@H](O)C2)s1 ZINC000310098498 540336142 /nfs/dbraw/zinc/33/61/42/540336142.db2.gz AQUXFTXXXHHUQC-VXGBXAGGSA-N 0 3 254.399 2.434 10 0 CEAEHN CCc1nc(C(Cl)(Cl)Cl)ncc1CN ZINC000685959239 540658241 /nfs/dbraw/zinc/65/82/41/540658241.db2.gz LGZNUBOZJQXVLB-UHFFFAOYSA-N 0 3 254.548 2.324 10 0 CEAEHN CC[C@@H]1CN(CCc2ccccc2F)CCN1CCOC ZINC000137593172 366546282 /nfs/dbraw/zinc/54/62/82/366546282.db2.gz UJGNBBXMTAKXMH-MRXNPFEDSA-N 0 3 294.414 2.411 10 0 CEAEHN Nc1cc(C2CCN(Cc3ccccc3)CC2)[nH]n1 ZINC000143400383 366568507 /nfs/dbraw/zinc/56/85/07/366568507.db2.gz DUOSKQWCEZQPRI-UHFFFAOYSA-N 0 3 256.353 2.372 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)Oc1ccccc1 ZINC000176974852 189018375 /nfs/dbraw/zinc/01/83/75/189018375.db2.gz XLQVCDRLLFCGQL-CABCVRRESA-N 0 3 290.407 2.397 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1COC ZINC000177040002 189023243 /nfs/dbraw/zinc/02/32/43/189023243.db2.gz VPKUDLCDXVSVMA-OAHLLOKOSA-N 0 3 290.407 2.389 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000177150286 189032481 /nfs/dbraw/zinc/03/24/81/189032481.db2.gz ACFOJRTUJFBQIR-CYBMUJFWSA-N 0 3 299.378 2.097 10 0 CEAEHN CCc1ccccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000178314613 189106077 /nfs/dbraw/zinc/10/60/77/189106077.db2.gz UTDZNCVHVKYROW-CQSZACIVSA-N 0 3 258.365 2.169 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1nc(C)sc1C ZINC000178812184 189147662 /nfs/dbraw/zinc/14/76/62/189147662.db2.gz PTBFWHIVIZRWOJ-GFCCVEGCSA-N 0 3 281.425 2.316 10 0 CEAEHN O=C(c1cc(F)cc2cccnc21)N1CCN2CCC[C@H]2C1 ZINC000179394686 189190826 /nfs/dbraw/zinc/19/08/26/189190826.db2.gz SFOOIXJPXGCWDE-AWEZNQCLSA-N 0 3 299.349 2.294 10 0 CEAEHN Cc1cc(C)c(CC(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000179903808 189226841 /nfs/dbraw/zinc/22/68/41/189226841.db2.gz IJDUXFJPFHHGPY-OAHLLOKOSA-N 0 3 274.408 2.317 10 0 CEAEHN Cn1nccc1C1CCN(Cc2cnn3ccccc23)CC1 ZINC000179849196 189223487 /nfs/dbraw/zinc/22/34/87/189223487.db2.gz QEYPKBRMRGSZLI-UHFFFAOYSA-N 0 3 295.390 2.447 10 0 CEAEHN CCc1nc(C)c([C@@H](C)N[C@H]2CCc3ncnn3C2)s1 ZINC000180580827 189263513 /nfs/dbraw/zinc/26/35/13/189263513.db2.gz XGSUELXLKMNYFD-KOLCDFICSA-N 0 3 291.424 2.271 10 0 CEAEHN COc1ccc([C@@H](C)NCC[C@@H]2CCOC2=O)cc1OC ZINC000180886461 189281830 /nfs/dbraw/zinc/28/18/30/189281830.db2.gz JXJMORUKOWSUHY-VXGBXAGGSA-N 0 3 293.363 2.308 10 0 CEAEHN COCCCCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152552377 366702801 /nfs/dbraw/zinc/70/28/01/366702801.db2.gz QZBKIUSUXHRDLW-HNNXBMFYSA-N 0 3 264.369 2.351 10 0 CEAEHN CCN(CC)CCN[C@@H](COC)c1ccccc1 ZINC000181536984 189299717 /nfs/dbraw/zinc/29/97/17/189299717.db2.gz FYZCNDVYAXGEKT-HNNXBMFYSA-N 0 3 250.386 2.306 10 0 CEAEHN C[C@@H](NCC[C@@H]1CCOC1=O)c1ccc2c(c1)OCCO2 ZINC000181752811 189306117 /nfs/dbraw/zinc/30/61/17/189306117.db2.gz XKFUANIUKDGTBQ-VXGBXAGGSA-N 0 3 291.347 2.062 10 0 CEAEHN Cc1ccc2c(c1)[C@@H](NC(=O)NCCN(C)C)[C@@H](C)C2 ZINC000181935675 189310012 /nfs/dbraw/zinc/31/00/12/189310012.db2.gz BRFKVIZMGVZECG-WFASDCNBSA-N 0 3 275.396 2.089 10 0 CEAEHN C[C@H](CCc1cccc(F)c1)N1CCO[C@H](CN(C)C)C1 ZINC000182923487 189340035 /nfs/dbraw/zinc/34/00/35/189340035.db2.gz XVIUBGVOCPUGIO-RHSMWYFYSA-N 0 3 294.414 2.409 10 0 CEAEHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000183127820 189347331 /nfs/dbraw/zinc/34/73/31/189347331.db2.gz MDNWLBKXSWGLLA-TYNCELHUSA-N 0 3 292.379 2.179 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)c1nnc(C(F)(F)F)s1 ZINC000155266484 366813171 /nfs/dbraw/zinc/81/31/71/366813171.db2.gz MGKAYJUWFOVYSN-MRVPVSSYSA-N 0 3 294.346 2.477 10 0 CEAEHN CN(C)C[C@H]1CN(CCc2ccccc2Cl)CCO1 ZINC000155360212 366816866 /nfs/dbraw/zinc/81/68/66/366816866.db2.gz PTCLNTUFKRMCES-AWEZNQCLSA-N 0 3 282.815 2.145 10 0 CEAEHN CC(C)(C)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000016473565 361489359 /nfs/dbraw/zinc/48/93/59/361489359.db2.gz KBSRWCQUEUJPCY-UHFFFAOYSA-N 0 3 260.259 2.431 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000019424170 361534527 /nfs/dbraw/zinc/53/45/27/361534527.db2.gz FNJYUMFEZCGETN-IINYFYTJSA-N 0 3 278.352 2.160 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1ccc(Br)cn1 ZINC000084223995 363803337 /nfs/dbraw/zinc/80/33/37/363803337.db2.gz AYWCERQZCFLUPX-BXKDBHETSA-N 0 3 285.185 2.095 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088478869 363901099 /nfs/dbraw/zinc/90/10/99/363901099.db2.gz MCQZGLJTZIRLBC-ZDUSSCGKSA-N 0 3 281.400 2.397 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1cc(F)c(F)c(F)c1 ZINC000089151264 363938070 /nfs/dbraw/zinc/93/80/70/363938070.db2.gz NTVNDUZYKGOXBB-BXKDBHETSA-N 0 3 259.271 2.355 10 0 CEAEHN Cc1c(CNc2ccc(OCCN(C)C)cc2)cnn1C ZINC000093650035 364210717 /nfs/dbraw/zinc/21/07/17/364210717.db2.gz UXOPXZJIZREGNR-UHFFFAOYSA-N 0 3 288.395 2.281 10 0 CEAEHN C[C@](O)(CN1CCN2CCCC[C@@H]2C1)c1ccccc1 ZINC000093952481 364242692 /nfs/dbraw/zinc/24/26/92/364242692.db2.gz VDOVNDXQHKMBAO-SJORKVTESA-N 0 3 274.408 2.064 10 0 CEAEHN COC(=O)c1ccc([C@@H](C)N2CCN3CCCC[C@@H]3C2)o1 ZINC000093952667 364243627 /nfs/dbraw/zinc/24/36/27/364243627.db2.gz UTIGHDCGUVFEQY-CHWSQXEVSA-N 0 3 292.379 2.297 10 0 CEAEHN CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)C(C)C ZINC000111442260 364738108 /nfs/dbraw/zinc/73/81/08/364738108.db2.gz PFBAIEASUDBECT-STQMWFEESA-N 0 3 255.406 2.205 10 0 CEAEHN CCC[C@@H](C(=O)NCc1cc(C)cc(OC)c1)N(C)C ZINC000120299386 365404089 /nfs/dbraw/zinc/40/40/89/365404089.db2.gz YOWRSQCQZTWOKW-HNNXBMFYSA-N 0 3 278.396 2.350 10 0 CEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000120478683 365431280 /nfs/dbraw/zinc/43/12/80/365431280.db2.gz IWWWBADYMYMYQT-AUTRQRHGSA-N 0 3 271.357 2.288 10 0 CEAEHN COCCN1CCN(Cc2sccc2C)C[C@H]1C ZINC000120809188 365478425 /nfs/dbraw/zinc/47/84/25/365478425.db2.gz SUXCTLSAGGPMQZ-CYBMUJFWSA-N 0 3 268.426 2.209 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCO2)N(C)C ZINC000161550990 367097373 /nfs/dbraw/zinc/09/73/73/367097373.db2.gz ZUFXQPYELKZQAR-YPMHNXCESA-N 0 3 292.379 2.323 10 0 CEAEHN CCC[C@@H](C(=O)NCc1cccc(OCC)c1)N(C)C ZINC000161604905 367099365 /nfs/dbraw/zinc/09/93/65/367099365.db2.gz BDQPGJPXMDFWIZ-HNNXBMFYSA-N 0 3 278.396 2.432 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](C)Oc1ccc(F)cc1)N(C)C ZINC000162327930 367151406 /nfs/dbraw/zinc/15/14/06/367151406.db2.gz CKEDQGIKFNXEMF-DOMZBBRYSA-N 0 3 296.386 2.440 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](C)Oc1ccc(F)cc1)N(C)C ZINC000162328052 367151823 /nfs/dbraw/zinc/15/18/23/367151823.db2.gz CKEDQGIKFNXEMF-IUODEOHRSA-N 0 3 296.386 2.440 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)CCSCC)N(C)C ZINC000162358296 367154511 /nfs/dbraw/zinc/15/45/11/367154511.db2.gz QQGVYJQSFPKGMM-RYUDHWBXSA-N 0 3 260.447 2.365 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1O ZINC000245696200 370858488 /nfs/dbraw/zinc/85/84/88/370858488.db2.gz LAFSQTGKJSORKN-OCCSQVGLSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1cc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)ccn1 ZINC000245593868 370845767 /nfs/dbraw/zinc/84/57/67/370845767.db2.gz LEBZVWGDEZKOBP-BXUZGUMPSA-N 0 3 276.384 2.240 10 0 CEAEHN CC(C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000616569237 367231993 /nfs/dbraw/zinc/23/19/93/367231993.db2.gz HLHXVLHNALXPLK-KBPBESRZSA-N 0 3 264.344 2.125 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccc(Cl)s2)C1 ZINC000170830922 367427301 /nfs/dbraw/zinc/42/73/01/367427301.db2.gz LQNGVOZOTUJPBC-VIFPVBQESA-N 0 3 287.816 2.247 10 0 CEAEHN C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170833328 367427884 /nfs/dbraw/zinc/42/78/84/367427884.db2.gz GMUQUNRFSJATGL-OCCSQVGLSA-N 0 3 293.386 2.102 10 0 CEAEHN COc1nc(C(=O)N2CC[C@@H](N(C)C)C2)cc2ccccc21 ZINC000170855187 367431478 /nfs/dbraw/zinc/43/14/78/367431478.db2.gz XLAORAXVFNVJMM-CYBMUJFWSA-N 0 3 299.374 2.020 10 0 CEAEHN Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170858791 367431872 /nfs/dbraw/zinc/43/18/72/367431872.db2.gz VGYMVLMGYNVSQI-CQSZACIVSA-N 0 3 299.374 2.426 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)C1 ZINC000170856069 367432513 /nfs/dbraw/zinc/43/25/13/367432513.db2.gz RMWFPRMKVSVUKT-CYBMUJFWSA-N 0 3 294.370 2.146 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000170863920 367434973 /nfs/dbraw/zinc/43/49/73/367434973.db2.gz NCPFDDBMNXCNHD-LBPRGKRZSA-N 0 3 282.334 2.060 10 0 CEAEHN CCCOc1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170865720 367435985 /nfs/dbraw/zinc/43/59/85/367435985.db2.gz UILSRSTZZCLCPE-AWEZNQCLSA-N 0 3 276.380 2.252 10 0 CEAEHN Cc1ccc(CCCC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170865400 367436519 /nfs/dbraw/zinc/43/65/19/367436519.db2.gz PIOWBDDSCWPBDY-INIZCTEOSA-N 0 3 274.408 2.480 10 0 CEAEHN Cc1ccc2oc(C(=O)N3CCN4CCC[C@@H]4C3)cc2n1 ZINC000171471224 367550290 /nfs/dbraw/zinc/55/02/90/367550290.db2.gz ILJZYSGHCRTDES-GFCCVEGCSA-N 0 3 285.347 2.056 10 0 CEAEHN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCN2CCC[C@@H]2C1 ZINC000171585685 367572602 /nfs/dbraw/zinc/57/26/02/367572602.db2.gz JQGGTGOESGKUAQ-MRVPVSSYSA-N 0 3 288.178 2.242 10 0 CEAEHN O=C(N1CCN2CCC[C@@H]2C1)C1(c2ccccc2)CCC1 ZINC000171585944 367573083 /nfs/dbraw/zinc/57/30/83/367573083.db2.gz CWQNSQGORBRODK-MRXNPFEDSA-N 0 3 284.403 2.415 10 0 CEAEHN C[C@@H](Cc1cccs1)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171901162 367635533 /nfs/dbraw/zinc/63/55/33/367635533.db2.gz ONATWCXXFCYQOO-QWHCGFSZSA-N 0 3 293.436 2.169 10 0 CEAEHN Cc1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c(C)c1 ZINC000245744375 370868882 /nfs/dbraw/zinc/86/88/82/370868882.db2.gz MMLCDDJZXSFSOC-CVEARBPZSA-N 0 3 276.424 2.190 10 0 CEAEHN CN(C)C(=O)[C@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC000172286054 367708519 /nfs/dbraw/zinc/70/85/19/367708519.db2.gz CJXJFPVZZDHLSI-MRXNPFEDSA-N 0 3 272.392 2.228 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)c1cccnc1 ZINC000174290874 368006362 /nfs/dbraw/zinc/00/63/62/368006362.db2.gz LZRAHIILCGVBKE-DZGCQCFKSA-N 0 3 277.412 2.278 10 0 CEAEHN CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000176454924 368241624 /nfs/dbraw/zinc/24/16/24/368241624.db2.gz VMPKDQXGPWGFQS-HOCLYGCPSA-N 0 3 290.407 2.315 10 0 CEAEHN Cc1ccc(-c2n[nH]cc2CNC[C@@H](O)C(C)(C)C)o1 ZINC000304013806 201624092 /nfs/dbraw/zinc/62/40/92/201624092.db2.gz CCPUKOWTGNAUBY-CYBMUJFWSA-N 0 3 277.368 2.475 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccnn1C(C)C ZINC000176269752 368218673 /nfs/dbraw/zinc/21/86/73/368218673.db2.gz CFYCNJRJLGVOMH-CYBMUJFWSA-N 0 3 293.415 2.412 10 0 CEAEHN CCc1oc(C(=O)N2CCN3CCC[C@H]3C2)cc1C ZINC000177549448 368272834 /nfs/dbraw/zinc/27/28/34/368272834.db2.gz CLJUXVGWGLKVGL-LBPRGKRZSA-N 0 3 262.353 2.071 10 0 CEAEHN O=C(N[C@@H]1CCCc2occc21)N1CCN2CCC[C@H]2C1 ZINC000247655521 284046215 /nfs/dbraw/zinc/04/62/15/284046215.db2.gz YFRWGUAXVKOUDK-GXTWGEPZSA-N 0 3 289.379 2.147 10 0 CEAEHN Cn1cc([C@H]2CCCN2Cc2ccc(CO)cc2)cn1 ZINC000182745075 368585189 /nfs/dbraw/zinc/58/51/89/368585189.db2.gz JFDQFQFOYRMEBE-MRXNPFEDSA-N 0 3 271.364 2.250 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCCOC(C)C ZINC000182982773 368603433 /nfs/dbraw/zinc/60/34/33/368603433.db2.gz CBNOTPLKCXPKSU-CQSZACIVSA-N 0 3 270.417 2.134 10 0 CEAEHN CCC1(C(=O)N2CCO[C@@H](CN(C)C)C2)CCCCC1 ZINC000184117407 368672336 /nfs/dbraw/zinc/67/23/36/368672336.db2.gz BAMOGWJTULQRDZ-AWEZNQCLSA-N 0 3 282.428 2.136 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cnccn2)C12CCOCC2 ZINC000185005443 368735578 /nfs/dbraw/zinc/73/55/78/368735578.db2.gz JXQULDOZUFBOQX-NWANDNLSSA-N 0 3 291.395 2.101 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCO[C@H](C)CC(C)C)C1 ZINC000246138259 370914098 /nfs/dbraw/zinc/91/40/98/370914098.db2.gz DZFIZKCIIFBHQE-HUUCEWRRSA-N 0 3 284.444 2.428 10 0 CEAEHN CO[C@@H]1CCCN(C[C@@H](O)COc2cc(C)ccc2C)C1 ZINC000246144095 370915452 /nfs/dbraw/zinc/91/54/52/370915452.db2.gz RWKWBVYSVUMYIP-HZPDHXFCSA-N 0 3 293.407 2.154 10 0 CEAEHN CC(C)C[C@H](C)OCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000246167211 370918571 /nfs/dbraw/zinc/91/85/71/370918571.db2.gz KIBWRQHODRBWHV-GJZGRUSLSA-N 0 3 282.428 2.134 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NCc1ccon1 ZINC000634975361 369006596 /nfs/dbraw/zinc/00/65/96/369006596.db2.gz WWJWMLDFZUOEOB-ZDUSSCGKSA-N 0 3 259.353 2.285 10 0 CEAEHN COCC1=CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000187692963 369204201 /nfs/dbraw/zinc/20/42/01/369204201.db2.gz XCMOFOFIVJMLIU-INIZCTEOSA-N 0 3 261.365 2.173 10 0 CEAEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1csc(Cl)c1 ZINC000191353530 369705419 /nfs/dbraw/zinc/70/54/19/369705419.db2.gz XAENHSOLVZHJMG-MWLCHTKSSA-N 0 3 274.817 2.383 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1cccc(F)c1 ZINC000193245994 369910268 /nfs/dbraw/zinc/91/02/68/369910268.db2.gz LEKCWKJWVISELF-HNNXBMFYSA-N 0 3 269.360 2.435 10 0 CEAEHN CCCCOC[C@H](O)CN(C)CCc1ccc(F)cc1 ZINC000193374173 369934833 /nfs/dbraw/zinc/93/48/33/369934833.db2.gz LHCLKDAKUBGFDO-MRXNPFEDSA-N 0 3 283.387 2.478 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000195205143 370113987 /nfs/dbraw/zinc/11/39/87/370113987.db2.gz VGOMHHSSFZLCLU-HUUCEWRRSA-N 0 3 295.427 2.341 10 0 CEAEHN C[C@H](CCN1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000194848725 370080017 /nfs/dbraw/zinc/08/00/17/370080017.db2.gz LQCHMSWTBXLYIM-ZIAGYGMSSA-N 0 3 260.381 2.391 10 0 CEAEHN C[C@@H]1CC[C@@H](N[C@@H]2CCCNC2=O)c2ccccc21 ZINC000211852829 370163158 /nfs/dbraw/zinc/16/31/58/370163158.db2.gz DKGPFSGAHKAXEN-KCPJHIHWSA-N 0 3 258.365 2.493 10 0 CEAEHN CC(C)(C)OC(=O)NCC(C)(C)NCc1ccccn1 ZINC000221048662 370234657 /nfs/dbraw/zinc/23/46/57/370234657.db2.gz VRYYMFPPHBTMQL-UHFFFAOYSA-N 0 3 279.384 2.475 10 0 CEAEHN Cc1cnccc1CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000230709436 370466378 /nfs/dbraw/zinc/46/63/78/370466378.db2.gz RQGJAZUUKMHOBM-HOCLYGCPSA-N 0 3 259.397 2.449 10 0 CEAEHN C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000235325926 370562034 /nfs/dbraw/zinc/56/20/34/370562034.db2.gz OOJALXGIJMJYAU-NOZJJQNGSA-N 0 3 282.771 2.068 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000246756060 371005948 /nfs/dbraw/zinc/00/59/48/371005948.db2.gz PWQPQHAPXFLTKI-MELADBBJSA-N 0 3 282.428 2.310 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(COC)o1 ZINC000246836275 371018536 /nfs/dbraw/zinc/01/85/36/371018536.db2.gz BFCDQTUYXOVZGP-STQMWFEESA-N 0 3 292.379 2.125 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1cccc(F)c1 ZINC000246890642 371026948 /nfs/dbraw/zinc/02/69/48/371026948.db2.gz XFRZTPXNGZYRNK-DOMZBBRYSA-N 0 3 276.355 2.236 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C)nc1 ZINC000246904576 371028320 /nfs/dbraw/zinc/02/83/20/371028320.db2.gz HRSLPNKJBDZVHN-CABCVRRESA-N 0 3 273.380 2.089 10 0 CEAEHN CCCc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2CC)[nH]n1 ZINC000246950700 371035906 /nfs/dbraw/zinc/03/59/06/371035906.db2.gz LVTXWLUCVNNCFI-ZIAGYGMSSA-N 0 3 290.411 2.061 10 0 CEAEHN C[C@H](c1ccccc1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247872337 371143738 /nfs/dbraw/zinc/14/37/38/371143738.db2.gz XTGZEVCWMGMWIW-SOUVJXGZSA-N 0 3 262.397 2.135 10 0 CEAEHN CCC[C@H](CC)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247489654 371114753 /nfs/dbraw/zinc/11/47/53/371114753.db2.gz LLDIMHLLKADWRT-STQMWFEESA-N 0 3 253.390 2.055 10 0 CEAEHN COc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000247519327 371120104 /nfs/dbraw/zinc/12/01/04/371120104.db2.gz WPDOYAMNSITUJW-OCCSQVGLSA-N 0 3 274.364 2.004 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)c(F)c2)CCN1C[C@H](C)O ZINC000247590864 371128583 /nfs/dbraw/zinc/12/85/83/371128583.db2.gz JOUQFPDOIWLYRG-GXTWGEPZSA-N 0 3 298.377 2.242 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N2CCN3CCC[C@H]3C2)o1 ZINC000247598512 371129610 /nfs/dbraw/zinc/12/96/10/371129610.db2.gz SYKNMALGKCVTNC-STQMWFEESA-N 0 3 277.368 2.139 10 0 CEAEHN Cc1ccccc1[C@H](C)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248001261 371153901 /nfs/dbraw/zinc/15/39/01/371153901.db2.gz KKRNMBPMHJKKCQ-PMPSAXMXSA-N 0 3 276.424 2.443 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000248342960 371177724 /nfs/dbraw/zinc/17/77/24/371177724.db2.gz JWTOXNLIWLCZAM-JKSUJKDBSA-N 0 3 278.371 2.029 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC[C@H]1CCCCO1 ZINC000248601680 371220792 /nfs/dbraw/zinc/22/07/92/371220792.db2.gz UPGVQOZYHZRURQ-LSDHHAIUSA-N 0 3 297.443 2.071 10 0 CEAEHN CCOC[C@@H](NC(=O)N(C)C[C@@H]1CCCN1CC)C(C)C ZINC000248980795 371279376 /nfs/dbraw/zinc/27/93/76/371279376.db2.gz VJRLOBRFKYVYQG-LSDHHAIUSA-N 0 3 299.459 2.173 10 0 CEAEHN CCOCCN1CCN(CCc2ccccc2F)C[C@H]1C ZINC000248906402 371269326 /nfs/dbraw/zinc/26/93/26/371269326.db2.gz BHIQXOJRQRHMJX-OAHLLOKOSA-N 0 3 294.414 2.411 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1cccc(F)c1N ZINC000251704195 371413769 /nfs/dbraw/zinc/41/37/69/371413769.db2.gz JBFFCFNERCOWRT-JSGCOSHPSA-N 0 3 277.387 2.467 10 0 CEAEHN O[C@@H]1CCCC[C@H]1[C@H]1CCCN1Cc1ccno1 ZINC000253086530 371493237 /nfs/dbraw/zinc/49/32/37/371493237.db2.gz BSAWUDZQWALPBT-BFHYXJOUSA-N 0 3 250.342 2.190 10 0 CEAEHN Cc1cc(C)nc(NC[C@H]2NCCc3ccccc32)n1 ZINC000261750135 371720501 /nfs/dbraw/zinc/72/05/01/371720501.db2.gz MVPHZFNTMLJICL-OAHLLOKOSA-N 0 3 268.364 2.392 10 0 CEAEHN N[C@H](C(=O)Nc1cccc(Cl)c1)C1CCOCC1 ZINC000261975868 371788484 /nfs/dbraw/zinc/78/84/84/371788484.db2.gz LUAAHJPUJPWUTL-LBPRGKRZSA-N 0 3 268.744 2.032 10 0 CEAEHN Cc1ccc(CC[C@@H](C)NC(=O)[C@@H](N)C(C)C)o1 ZINC000262719498 371901032 /nfs/dbraw/zinc/90/10/32/371901032.db2.gz YGUNXELOMROQGU-MFKMUULPSA-N 0 3 252.358 2.009 10 0 CEAEHN Cc1ccc(CC[C@H](C)NC(=O)[C@@H](N)C(C)C)o1 ZINC000262719496 371901757 /nfs/dbraw/zinc/90/17/57/371901757.db2.gz YGUNXELOMROQGU-GWCFXTLKSA-N 0 3 252.358 2.009 10 0 CEAEHN CCc1ncnc(N2C[C@@H]3CCCN3C[C@H]2CC)c1F ZINC000271163227 373154653 /nfs/dbraw/zinc/15/46/53/373154653.db2.gz JGSDUNHDRPVVHA-NEPJUHHUSA-N 0 3 278.375 2.241 10 0 CEAEHN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CNCCOC1 ZINC000643615875 373222792 /nfs/dbraw/zinc/22/27/92/373222792.db2.gz ABXBHDDMMXYIEU-ZDUSSCGKSA-N 0 3 276.380 2.293 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(Cl)c(F)c2)CCCN1 ZINC000643629806 373227732 /nfs/dbraw/zinc/22/77/32/373227732.db2.gz ALHXQUGZGFAFTJ-CYBMUJFWSA-N 0 3 286.734 2.186 10 0 CEAEHN COC[C@]1(C(=O)N(C)c2cc(C)cc(C)c2)CCCN1 ZINC000643652088 373231365 /nfs/dbraw/zinc/23/13/65/373231365.db2.gz QDGHAMNPUMSREV-INIZCTEOSA-N 0 3 276.380 2.035 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(Cl)c1F ZINC000282342824 375461437 /nfs/dbraw/zinc/46/14/37/375461437.db2.gz MEZWOXOKOFGYEJ-KWQFWETISA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)cc1 ZINC000282257862 375441743 /nfs/dbraw/zinc/44/17/43/375441743.db2.gz GWUKYLQIQMUHMF-JOYOIKCWSA-N 0 3 252.745 2.097 10 0 CEAEHN CC(C)Oc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282525749 375506528 /nfs/dbraw/zinc/50/65/28/375506528.db2.gz YOBJBTAONHPVSH-IUODEOHRSA-N 0 3 276.380 2.231 10 0 CEAEHN C[C@H](NC1CN(C)C1)c1cc(Br)cs1 ZINC000306794934 376556160 /nfs/dbraw/zinc/55/61/60/376556160.db2.gz GEJAXRCAABSVIT-ZETCQYMHSA-N 0 3 275.215 2.475 10 0 CEAEHN CCC[C@@H]1C[C@H]1NCc1cc(C(=O)OC)c(C)n1C ZINC000291095025 377067489 /nfs/dbraw/zinc/06/74/89/377067489.db2.gz YPBJFSQHGBAEIA-BXUZGUMPSA-N 0 3 264.369 2.398 10 0 CEAEHN OCC[C@@H]1CSCCN1C[C@H]1Cc2ccccc21 ZINC000347051501 218106391 /nfs/dbraw/zinc/10/63/91/218106391.db2.gz KLRUGXZZBXLVHN-ZIAGYGMSSA-N 0 3 263.406 2.126 10 0 CEAEHN CCc1cnc(CN2C[C@@H]3CCCN3C[C@H]2C)s1 ZINC000300419120 379171872 /nfs/dbraw/zinc/17/18/72/379171872.db2.gz PHMOEMHLSKNMJA-NEPJUHHUSA-N 0 3 265.426 2.374 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2cccc3cnccc32)C[C@@H]1C ZINC000183276925 542290588 /nfs/dbraw/zinc/29/05/88/542290588.db2.gz XJRSRLRMYPRMJR-LSDHHAIUSA-N 0 3 299.418 2.122 10 0 CEAEHN O=S1(=O)CCC(NCc2ccc(C3CC3)cc2)CC1 ZINC000094518375 285052724 /nfs/dbraw/zinc/05/27/24/285052724.db2.gz IBDQWOOPKKFNIA-UHFFFAOYSA-N 0 3 279.405 2.231 10 0 CEAEHN CN[C@@H]1CCCCC[C@@H]1S(=O)(=O)c1cccs1 ZINC000081927255 177899303 /nfs/dbraw/zinc/89/93/03/177899303.db2.gz PYWQMYPEURFLLN-MNOVXSKESA-N 0 3 273.423 2.443 10 0 CEAEHN CCN[C@H](CS(=O)(=O)c1ccc(C)cc1)C1CC1 ZINC000081920884 177895042 /nfs/dbraw/zinc/89/50/42/177895042.db2.gz ZQTABPZDZLKOSN-CQSZACIVSA-N 0 3 267.394 2.157 10 0 CEAEHN COc1ccccc1CN(C)c1cccc(C(=N)N)n1 ZINC000081620735 177832726 /nfs/dbraw/zinc/83/27/26/177832726.db2.gz DFKBHLRKTQGAAD-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN C[C@H]1CN(C)C[C@@]1(O)c1ccc(Br)cc1 ZINC000521401981 256845387 /nfs/dbraw/zinc/84/53/87/256845387.db2.gz UPXSLLBSSCNPTI-CABZTGNLSA-N 0 3 270.170 2.218 10 0 CEAEHN CCN[C@@H](c1cnccc1C)[C@H]1CN(C(C)C)CCO1 ZINC000093927977 184744800 /nfs/dbraw/zinc/74/48/00/184744800.db2.gz ZBRWTTHAWKFEQR-CVEARBPZSA-N 0 3 277.412 2.150 10 0 CEAEHN CC[C@](C)(N)C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000094233646 184767763 /nfs/dbraw/zinc/76/77/63/184767763.db2.gz SCVGMBHWCJSXOK-OTYXRUKQSA-N 0 3 268.332 2.139 10 0 CEAEHN Nc1ccc(Nc2cc(F)c(F)c(F)c2)nc1N ZINC000094260405 184771011 /nfs/dbraw/zinc/77/10/11/184771011.db2.gz UQLCSUCMROEUQO-UHFFFAOYSA-N 0 3 254.215 2.407 10 0 CEAEHN C[C@]1([C@@H](N)c2ccc3c(c2)OCCCO3)CCCO1 ZINC000094782651 184863055 /nfs/dbraw/zinc/86/30/55/184863055.db2.gz FNPSEUPHGZJZGX-LSDHHAIUSA-N 0 3 263.337 2.417 10 0 CEAEHN CC(C)(C)NCc1cnc([C@@H]2CSCCO2)nc1 ZINC000094505409 184812197 /nfs/dbraw/zinc/81/21/97/184812197.db2.gz ZTVLJFPQJBHTPK-NSHDSACASA-N 0 3 267.398 2.169 10 0 CEAEHN CCCN[C@H](c1ccc(F)c(F)c1)[C@@H]1CN2CCN1CC2 ZINC000094510849 184812591 /nfs/dbraw/zinc/81/25/91/184812591.db2.gz QTPPXMQXPZCOSL-JKSUJKDBSA-N 0 3 295.377 2.005 10 0 CEAEHN CN[C@@H](C)c1cc(F)ccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000094619485 184828002 /nfs/dbraw/zinc/82/80/02/184828002.db2.gz AZSZHUAKKAKWHZ-RYUDHWBXSA-N 0 3 294.370 2.496 10 0 CEAEHN CCNc1cc(C)ccc1C(=O)N(C)CCN(C)C ZINC000094929416 184896354 /nfs/dbraw/zinc/89/63/54/184896354.db2.gz XTRNADWYYGDSOU-UHFFFAOYSA-N 0 3 263.385 2.060 10 0 CEAEHN Cc1cc(F)ccc1CCN1CCC[C@@H](NC2CC2)C1=O ZINC000094962697 184906085 /nfs/dbraw/zinc/90/60/85/184906085.db2.gz GVPCJIQQAKEMEG-MRXNPFEDSA-N 0 3 290.382 2.420 10 0 CEAEHN Cc1ccc([C@H](C)N2CCC[C@@H](N)C2=O)cc1F ZINC000094962731 184906560 /nfs/dbraw/zinc/90/65/60/184906560.db2.gz ZJEIYJYZGUFFFB-GXFFZTMASA-N 0 3 250.317 2.145 10 0 CEAEHN Cc1c(CNC[C@H](C)N(C)C(=O)OC(C)(C)C)cnn1C ZINC000282921058 195744423 /nfs/dbraw/zinc/74/44/23/195744423.db2.gz VVUFMJZBMSDBIS-NSHDSACASA-N 0 3 296.415 2.074 10 0 CEAEHN C[C@H]1CN(c2ccc(Br)cc2N)CCN1C ZINC000082477600 135007481 /nfs/dbraw/zinc/00/74/81/135007481.db2.gz LYLNYOPOOUVGFA-VIFPVBQESA-N 0 3 284.201 2.172 10 0 CEAEHN N[C@@H]1CCN(C(=O)c2ccncc2F)c2ccccc21 ZINC000086315789 135039672 /nfs/dbraw/zinc/03/96/72/135039672.db2.gz OSIKIUIVGYHTGM-CYBMUJFWSA-N 0 3 271.295 2.271 10 0 CEAEHN COCOc1ccc2cc(N3CCNCC3)ccc2c1 ZINC000087888398 135052128 /nfs/dbraw/zinc/05/21/28/135052128.db2.gz DRVHTSIFAXQLBX-UHFFFAOYSA-N 0 3 272.348 2.232 10 0 CEAEHN CCn1nc(C)cc1C(=O)N1CC[C@@H](N)c2ccccc21 ZINC000090122373 135062350 /nfs/dbraw/zinc/06/23/50/135062350.db2.gz AFGBKKCWXNDYRP-CYBMUJFWSA-N 0 3 284.363 2.262 10 0 CEAEHN C[C@H]1C[C@@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093123573 135079934 /nfs/dbraw/zinc/07/99/34/135079934.db2.gz ZDGXNXICDKTPLY-WFASDCNBSA-N 0 3 288.395 2.006 10 0 CEAEHN CC1(C)CC[C@@H](CN2CCN(c3ccccn3)CC2)[C@H]1O ZINC000094319371 135085909 /nfs/dbraw/zinc/08/59/09/135085909.db2.gz XJNLVYONPVNUQS-GOEBONIOSA-N 0 3 289.423 2.001 10 0 CEAEHN C[C@H](O)c1ccccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439802 135087826 /nfs/dbraw/zinc/08/78/26/135087826.db2.gz IXMMKCDNENOTGX-UONOGXRCSA-N 0 3 260.381 2.414 10 0 CEAEHN Cc1cc(N2C[C@H]3OCCN(C)[C@H]3C2)c2ccccc2n1 ZINC000301635526 394463532 /nfs/dbraw/zinc/46/35/32/394463532.db2.gz DXRZOIZSIGBWSC-DLBZAZTESA-N 0 3 283.375 2.062 10 0 CEAEHN O=c1c(CNC2CC2)cc2cccc3c2n1CCC3 ZINC000039287237 394498995 /nfs/dbraw/zinc/49/89/95/394498995.db2.gz AONHWVZMSJXJPS-UHFFFAOYSA-N 0 3 254.333 2.200 10 0 CEAEHN C[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)NCCS2 ZINC000306782390 394517871 /nfs/dbraw/zinc/51/78/71/394517871.db2.gz QOLFSTSVIVJBIZ-MFKMUULPSA-N 0 3 272.414 2.439 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC000246536536 394517927 /nfs/dbraw/zinc/51/79/27/394517927.db2.gz JIJWPLHDRYMHIY-OLZOCXBDSA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC000246536536 394517932 /nfs/dbraw/zinc/51/79/32/394517932.db2.gz JIJWPLHDRYMHIY-OLZOCXBDSA-N 0 3 274.364 2.091 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCCC[C@@H]2C)C1 ZINC000246835369 394522368 /nfs/dbraw/zinc/52/23/68/394522368.db2.gz DXSWKKUAFRZSJG-HZSPNIEDSA-N 0 3 267.417 2.299 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC(C(F)F)CC1 ZINC000307855399 394523638 /nfs/dbraw/zinc/52/36/38/394523638.db2.gz MFJGCSJXPVJCBY-LBPRGKRZSA-N 0 3 265.344 2.141 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C\c2ccnc(Cl)c2)C1 ZINC000255828735 394590236 /nfs/dbraw/zinc/59/02/36/394590236.db2.gz JHLOLHRSRFKUAK-CFHLNLSMSA-N 0 3 293.798 2.349 10 0 CEAEHN CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@H]1CCCN(CC)C1 ZINC000248570758 394542886 /nfs/dbraw/zinc/54/28/86/394542886.db2.gz RZMILKVNZZNSFE-MELADBBJSA-N 0 3 267.417 2.301 10 0 CEAEHN COC[C@H](C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000248648339 394544577 /nfs/dbraw/zinc/54/45/77/394544577.db2.gz UNCKVXMCTGBXNQ-GZBFAFLISA-N 0 3 278.396 2.077 10 0 CEAEHN Cc1cc(N2CCC[C@H](NCc3ccccc3)C2=O)n(C)n1 ZINC000080526637 394636140 /nfs/dbraw/zinc/63/61/40/394636140.db2.gz SEACCMCNSKVXEO-HNNXBMFYSA-N 0 3 298.390 2.014 10 0 CEAEHN N[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)C1CCC1 ZINC000335595788 394779888 /nfs/dbraw/zinc/77/98/88/394779888.db2.gz PEZUSINJHWHBLJ-HUUCEWRRSA-N 0 3 258.365 2.308 10 0 CEAEHN CC[C@](C)(O)CN1CCN(Cc2cccc(C)c2)CC1 ZINC000123043705 394821764 /nfs/dbraw/zinc/82/17/64/394821764.db2.gz CLRRQTOBSDCKTO-KRWDZBQOSA-N 0 3 276.424 2.274 10 0 CEAEHN CC[C@@H](O)CN1CCN(C[C@@H](C)Cc2ccccc2)CC1 ZINC000132335129 394928264 /nfs/dbraw/zinc/92/82/64/394928264.db2.gz ALCPKIDVRGDKRR-FUHWJXTLSA-N 0 3 290.451 2.254 10 0 CEAEHN CC[C@H](NC(=O)N(C)C[C@@H]1CCCN1CC)[C@@H]1CCCO1 ZINC000132525158 394932732 /nfs/dbraw/zinc/93/27/32/394932732.db2.gz DFDYNISRIADGGJ-KKUMJFAQSA-N 0 3 297.443 2.070 10 0 CEAEHN C[C@@H]1CC[C@@H](NC(=O)CNC2CC2)c2ccccc21 ZINC000182712269 395247144 /nfs/dbraw/zinc/24/71/44/395247144.db2.gz XHRCNFATMMDARH-IAQYHMDHSA-N 0 3 258.365 2.493 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1cnc(C)s1)N(C)C ZINC000179548093 395194844 /nfs/dbraw/zinc/19/48/44/395194844.db2.gz LEVXPOZSQRGZBK-GFCCVEGCSA-N 0 3 269.414 2.140 10 0 CEAEHN CC[C@@H](OC1CCCCC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000154437563 289145127 /nfs/dbraw/zinc/14/51/27/289145127.db2.gz SPIMFFYHARKPGI-DZGCQCFKSA-N 0 3 282.428 2.277 10 0 CEAEHN COc1ccc([C@@H](C)N[C@H]2CCCNC(=O)C2)cc1OC ZINC000111826032 400274159 /nfs/dbraw/zinc/27/41/59/400274159.db2.gz HPTVEWTZFMAVSO-YPMHNXCESA-N 0 3 292.379 2.023 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)N[C@H](C)COCc1ccccc1 ZINC000390721056 400540694 /nfs/dbraw/zinc/54/06/94/400540694.db2.gz FJQWKOSHKDEAKW-UKRRQHHQSA-N 0 3 278.396 2.081 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(O)c1)CC2 ZINC000194921863 153271413 /nfs/dbraw/zinc/27/14/13/153271413.db2.gz QRKNFFVJZOZUEM-YPMHNXCESA-N 0 3 286.379 2.212 10 0 CEAEHN Cc1cccc(O[C@@H](C)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195310661 153281421 /nfs/dbraw/zinc/28/14/21/153281421.db2.gz QCCAEBZXTPEJJF-LSDHHAIUSA-N 0 3 288.391 2.069 10 0 CEAEHN O=C(c1ccc(C(F)(F)F)nc1)N1CCN2CCC[C@@H]2C1 ZINC000195326717 153283121 /nfs/dbraw/zinc/28/31/21/153283121.db2.gz JGFVZMDQIIEHET-LLVKDONJSA-N 0 3 299.296 2.021 10 0 CEAEHN COCCCCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000227361286 153343958 /nfs/dbraw/zinc/34/39/58/153343958.db2.gz PYZVZLISIVZAML-LSDHHAIUSA-N 0 3 254.418 2.362 10 0 CEAEHN Cc1cnccc1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000228726383 153367157 /nfs/dbraw/zinc/36/71/57/153367157.db2.gz RQGJAZUUKMHOBM-GDBMZVCRSA-N 0 3 259.397 2.449 10 0 CEAEHN CC(C)CCCNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263502858 154104289 /nfs/dbraw/zinc/10/42/89/154104289.db2.gz LFTQORZSNDQYCH-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC(C)CCCNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263502858 154104299 /nfs/dbraw/zinc/10/42/99/154104299.db2.gz LFTQORZSNDQYCH-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC(C)c1noc([C@@H](C)N2CCN3CCC[C@@H]3C2)n1 ZINC000171639665 165051160 /nfs/dbraw/zinc/05/11/60/165051160.db2.gz KFHIQOIAWDFSJV-VXGBXAGGSA-N 0 3 264.373 2.034 10 0 CEAEHN CN(C)c1ccccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171888345 165051490 /nfs/dbraw/zinc/05/14/90/165051490.db2.gz YATQRYXFFDJRRE-CYBMUJFWSA-N 0 3 288.395 2.065 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)C2CCCCCCC2)CCO1 ZINC000172932058 165065222 /nfs/dbraw/zinc/06/52/22/165065222.db2.gz ZDEGXYKVFWZMRX-HNNXBMFYSA-N 0 3 282.428 2.136 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(COC)o1 ZINC000174963272 165123351 /nfs/dbraw/zinc/12/33/51/165123351.db2.gz BFCDQTUYXOVZGP-QWHCGFSZSA-N 0 3 292.379 2.125 10 0 CEAEHN Cc1nnc([C@@H]2CN(c3ccnc4ccccc43)CCO2)[nH]1 ZINC000175777767 165143870 /nfs/dbraw/zinc/14/38/70/165143870.db2.gz NMXFTJAOWWMUBN-HNNXBMFYSA-N 0 3 295.346 2.239 10 0 CEAEHN Cc1nc([C@@H]2CN(c3ccnc4ccccc43)CCO2)n[nH]1 ZINC000175777767 165143873 /nfs/dbraw/zinc/14/38/73/165143873.db2.gz NMXFTJAOWWMUBN-HNNXBMFYSA-N 0 3 295.346 2.239 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1cnc(C)s1)CC2 ZINC000180633832 165317607 /nfs/dbraw/zinc/31/76/07/165317607.db2.gz CZCXTSDYLZFRLU-MWLCHTKSSA-N 0 3 291.424 2.271 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1cnc(C)s1)CC2 ZINC000180633862 165318423 /nfs/dbraw/zinc/31/84/23/165318423.db2.gz CZCXTSDYLZFRLU-KOLCDFICSA-N 0 3 291.424 2.271 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)C2(C)CCCCCC2)CCO1 ZINC000180804447 165321337 /nfs/dbraw/zinc/32/13/37/165321337.db2.gz MUTFEBAVERWHHB-AWEZNQCLSA-N 0 3 282.428 2.136 10 0 CEAEHN CC[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1 ZINC000019900252 170912118 /nfs/dbraw/zinc/91/21/18/170912118.db2.gz VHLDCQFWYOTOGQ-ZIAGYGMSSA-N 0 3 267.394 2.223 10 0 CEAEHN Cc1ccn(CCN2CCC(Oc3cccnc3)CC2)n1 ZINC000020149071 171037557 /nfs/dbraw/zinc/03/75/57/171037557.db2.gz OEXVOGZVUPSRDQ-UHFFFAOYSA-N 0 3 286.379 2.130 10 0 CEAEHN c1ccc(CCNCc2nnc3ccccn32)cc1 ZINC000020185334 171049015 /nfs/dbraw/zinc/04/90/15/171049015.db2.gz QNHGFLGCKSXDQY-UHFFFAOYSA-N 0 3 252.321 2.062 10 0 CEAEHN COc1ccc([C@@H](CN)N(C)CC(C)C)c(OC)c1 ZINC000020226492 171091440 /nfs/dbraw/zinc/09/14/40/171091440.db2.gz NVJPZRFVVLNFAM-CQSZACIVSA-N 0 3 266.385 2.291 10 0 CEAEHN CC(C)Cc1ccc([C@H](N)CN2CCOC2=O)cc1 ZINC000020262206 171119740 /nfs/dbraw/zinc/11/97/40/171119740.db2.gz ADMDMJUAZZVPBH-CQSZACIVSA-N 0 3 262.353 2.337 10 0 CEAEHN C[C@H](NCCc1ccccc1F)C(=O)NC(C)(C)C ZINC000020358562 171157734 /nfs/dbraw/zinc/15/77/34/171157734.db2.gz RYPPPLKJBUGGKR-NSHDSACASA-N 0 3 266.360 2.261 10 0 CEAEHN Clc1ccc(Cc2ncc3c(n2)CCNC3)cc1 ZINC000020383457 171174501 /nfs/dbraw/zinc/17/45/01/171174501.db2.gz RKCKDPLTMVMMKA-UHFFFAOYSA-N 0 3 259.740 2.367 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)Oc1ccccc1[C@@H](C)N ZINC000020419373 171184726 /nfs/dbraw/zinc/18/47/26/171184726.db2.gz YRCNLFVXKOOTQG-NEPJUHHUSA-N 0 3 264.369 2.342 10 0 CEAEHN COC(C)(C)C[C@@H](C)NCc1nnc2ccccn21 ZINC000020524713 171237830 /nfs/dbraw/zinc/23/78/30/171237830.db2.gz VODIFTUALHTXLR-LLVKDONJSA-N 0 3 262.357 2.023 10 0 CEAEHN CCCCCCNCc1cccc(OC)c1OCC(N)=O ZINC000020872532 171277373 /nfs/dbraw/zinc/27/73/73/171277373.db2.gz SBYMPDRJOBZGDO-UHFFFAOYSA-N 0 3 294.395 2.229 10 0 CEAEHN CN(CC(=O)Nc1ccccc1N)C1CCCCC1 ZINC000022166045 171365606 /nfs/dbraw/zinc/36/56/06/171365606.db2.gz WTRXFFZDYULHRQ-UHFFFAOYSA-N 0 3 261.369 2.472 10 0 CEAEHN CCN(CC)[C@H](CN)c1ccc(Br)o1 ZINC000022171552 171368231 /nfs/dbraw/zinc/36/82/31/171368231.db2.gz JYWMQOXRXCASLJ-MRVPVSSYSA-N 0 3 261.163 2.384 10 0 CEAEHN CC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCNC2 ZINC000035216879 172057571 /nfs/dbraw/zinc/05/75/71/172057571.db2.gz KYLRNMKZIKNUIA-MRVPVSSYSA-N 0 3 296.392 2.165 10 0 CEAEHN CN(c1nc2sccn2c1CN)C1CCCC1 ZINC000035430130 172198415 /nfs/dbraw/zinc/19/84/15/172198415.db2.gz XKFBOABIMJMETC-UHFFFAOYSA-N 0 3 250.371 2.233 10 0 CEAEHN CNCc1c(N(C)CC(C)C)nc2sccn12 ZINC000035430184 172199116 /nfs/dbraw/zinc/19/91/16/172199116.db2.gz XKDCZNMIMQFSQN-UHFFFAOYSA-N 0 3 252.387 2.207 10 0 CEAEHN CNCc1c(N(C)[C@H]2CCSC2)nc2sccn12 ZINC000035430295 172199585 /nfs/dbraw/zinc/19/95/85/172199585.db2.gz QYGSDIFQHPIBBT-VIFPVBQESA-N 0 3 282.438 2.057 10 0 CEAEHN CN[C@@H](c1ccc(OC)c(OC)c1)[C@H]1CCCO1 ZINC000035463409 172211559 /nfs/dbraw/zinc/21/15/59/172211559.db2.gz RRQREHSEYLBPRR-OCCSQVGLSA-N 0 3 251.326 2.143 10 0 CEAEHN C[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1ccccn1 ZINC000035694941 172363486 /nfs/dbraw/zinc/36/34/86/172363486.db2.gz SBYAHDFEPDESFF-OCCSQVGLSA-N 0 3 269.348 2.349 10 0 CEAEHN Cc1cn2c(CN[C@H]3CCC[C@@H](O)C3)c(C)nc2s1 ZINC000037166157 173000653 /nfs/dbraw/zinc/00/06/53/173000653.db2.gz WSFAAWRERSOHJZ-NWDGAFQWSA-N 0 3 279.409 2.406 10 0 CEAEHN COc1ccc(OC)c(CN[C@H]2CCC[C@@H](O)C2)c1 ZINC000037166265 173000856 /nfs/dbraw/zinc/00/08/56/173000856.db2.gz LKRYNCMGPUJNBD-QWHCGFSZSA-N 0 3 265.353 2.097 10 0 CEAEHN COC[C@H](C)NCc1c(C)nc2scc(C)n12 ZINC000037196143 173024278 /nfs/dbraw/zinc/02/42/78/173024278.db2.gz ZRBPPZVWNJJLOJ-QMMMGPOBSA-N 0 3 253.371 2.137 10 0 CEAEHN CCCCN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037197940 173024856 /nfs/dbraw/zinc/02/48/56/173024856.db2.gz PYNIEVOXSBMRAO-LBPRGKRZSA-N 0 3 253.367 2.295 10 0 CEAEHN CNCc1cc(F)ccc1N(C)[C@H]1CCSC1 ZINC000037236804 173054007 /nfs/dbraw/zinc/05/40/07/173054007.db2.gz QXHOZUAIVCLWCX-LBPRGKRZSA-N 0 3 254.374 2.487 10 0 CEAEHN CC(C)OCCCN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037239617 173056032 /nfs/dbraw/zinc/05/60/32/173056032.db2.gz QDDXYVOTWMHWQC-AWEZNQCLSA-N 0 3 297.420 2.310 10 0 CEAEHN CC[C@@H](C)CN(C)CC(=O)Nc1c(C)cccc1N ZINC000037273525 173085357 /nfs/dbraw/zinc/08/53/57/173085357.db2.gz BTTMEBKGSWXLHU-LLVKDONJSA-N 0 3 263.385 2.494 10 0 CEAEHN Cc1ncsc1[C@H](C)N[C@H](C)Cn1cccn1 ZINC000037320053 173119904 /nfs/dbraw/zinc/11/99/04/173119904.db2.gz WVEAFRLQYJVVIZ-KOLCDFICSA-N 0 3 250.371 2.387 10 0 CEAEHN Cc1nc2sccn2c1CN[C@@H](C)Cn1cccn1 ZINC000037319800 173119993 /nfs/dbraw/zinc/11/99/93/173119993.db2.gz XLSLYEPYJDXTCY-JTQLQIEISA-N 0 3 275.381 2.079 10 0 CEAEHN C[C@H](NC(=O)CNC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000037386772 173169899 /nfs/dbraw/zinc/16/98/99/173169899.db2.gz RAIYTQBNBBZNCT-GVMDUPDNSA-N 0 3 276.424 2.460 10 0 CEAEHN CC(C)NCC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000037495139 173235088 /nfs/dbraw/zinc/23/50/88/173235088.db2.gz QHCOQLOAVPNVRC-IUODEOHRSA-N 0 3 252.402 2.412 10 0 CEAEHN CCOC(=O)C1(N[C@H](C)CC)CCN(C(C)C)CC1 ZINC000038067422 174079124 /nfs/dbraw/zinc/07/91/24/174079124.db2.gz AFLVZQXHMCURES-CYBMUJFWSA-N 0 3 270.417 2.181 10 0 CEAEHN C[C@@H](N)c1ccc(C(=O)Nc2ccncc2)cc1F ZINC000039073403 174162285 /nfs/dbraw/zinc/16/22/85/174162285.db2.gz GKTGNYJDERYYJD-SECBINFHSA-N 0 3 259.284 2.493 10 0 CEAEHN O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000039947524 174176493 /nfs/dbraw/zinc/17/64/93/174176493.db2.gz FYSOHJDRUMJJQE-GMXVVIOVSA-N 0 3 260.337 2.251 10 0 CEAEHN CNCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040414464 174255766 /nfs/dbraw/zinc/25/57/66/174255766.db2.gz AVFOWYZBEXIJEN-ZETCQYMHSA-N 0 3 261.152 2.390 10 0 CEAEHN CSCC[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000040467334 174275836 /nfs/dbraw/zinc/27/58/36/174275836.db2.gz YRQXMLNHKATVIY-GRYCIOLGSA-N 0 3 258.431 2.104 10 0 CEAEHN COC(=O)C[C@H](C)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491083 174292659 /nfs/dbraw/zinc/29/26/59/174292659.db2.gz LHQOARUMXRQGBM-WDEREUQCSA-N 0 3 281.352 2.306 10 0 CEAEHN CSCC[C@H](N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519080 174308430 /nfs/dbraw/zinc/30/84/30/174308430.db2.gz BXUIYHXJSVSLRZ-SCZZXKLOSA-N 0 3 287.454 2.018 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000040629962 174357997 /nfs/dbraw/zinc/35/79/97/174357997.db2.gz XOXGFEPYCKFRGK-KCJUWKMLSA-N 0 3 289.162 2.309 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](OC)CN1 ZINC000040634371 174360333 /nfs/dbraw/zinc/36/03/33/174360333.db2.gz BJBXDTWATKKXPO-JQWIXIFHSA-N 0 3 298.770 2.054 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccccc3)c(C)[nH]2)C1 ZINC000040637908 174362034 /nfs/dbraw/zinc/36/20/34/174362034.db2.gz PKQUYUGRFRXHGZ-QWHCGFSZSA-N 0 3 257.337 2.435 10 0 CEAEHN Nc1ccc(F)c(C(=O)NCCN2CCCCCC2)c1 ZINC000040766925 174398312 /nfs/dbraw/zinc/39/83/12/174398312.db2.gz UPCBPAULUSDXJC-UHFFFAOYSA-N 0 3 279.359 2.014 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccc(F)cc2Cl)nn1 ZINC000070118721 414766564 /nfs/dbraw/zinc/76/65/64/414766564.db2.gz YKJRODOYOMLMAH-UHFFFAOYSA-N 0 3 268.723 2.313 10 0 CEAEHN C[C@@H](NCC1(O)CCSCC1)c1cccc(O)c1 ZINC000660414982 414809647 /nfs/dbraw/zinc/80/96/47/414809647.db2.gz UBMDEPNKJIDUMO-LLVKDONJSA-N 0 3 267.394 2.301 10 0 CEAEHN CN(C(=O)CCCc1cccs1)[C@H](CN)C(F)(F)F ZINC000662976736 414816587 /nfs/dbraw/zinc/81/65/87/414816587.db2.gz PYHJUECSAFDSRO-SNVBAGLBSA-N 0 3 294.342 2.419 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)c(C)c1 ZINC000662976850 414817464 /nfs/dbraw/zinc/81/74/64/414817464.db2.gz QTNQRNDFFJPDCA-NSHDSACASA-N 0 3 274.286 2.265 10 0 CEAEHN CN(C(=O)c1ccc2[nH]ccc2c1)[C@H](CN)C(F)(F)F ZINC000662987024 414818811 /nfs/dbraw/zinc/81/88/11/414818811.db2.gz LGFONZAKPZULFS-LLVKDONJSA-N 0 3 285.269 2.130 10 0 CEAEHN CC[C@H](N)[C@H](c1ccco1)N1CCOC(C)(C)C1 ZINC000043335314 175011028 /nfs/dbraw/zinc/01/10/28/175011028.db2.gz MASJFWGIAUTZLC-WCQYABFASA-N 0 3 252.358 2.169 10 0 CEAEHN C[C@H](N)[C@H](c1ccco1)N(C)CCc1ccncc1 ZINC000043335415 175011396 /nfs/dbraw/zinc/01/13/96/175011396.db2.gz HBDIFGLPRKUKLH-SWLSCSKDSA-N 0 3 259.353 2.237 10 0 CEAEHN CN(Cc1ccccc1F)[C@H](CN)c1ccncc1 ZINC000043353566 175020702 /nfs/dbraw/zinc/02/07/02/175020702.db2.gz MWMVZZHUDIJLHO-OAHLLOKOSA-N 0 3 259.328 2.353 10 0 CEAEHN NC[C@@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccncc1 ZINC000043355132 175023042 /nfs/dbraw/zinc/02/30/42/175023042.db2.gz PGTIHBQLKAOAGU-OAHLLOKOSA-N 0 3 283.331 2.045 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N1CCOCC1(C)C ZINC000043364751 175025336 /nfs/dbraw/zinc/02/53/36/175025336.db2.gz IPKACPBMRDEUIQ-TZMCWYRMSA-N 0 3 266.385 2.477 10 0 CEAEHN CCN[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000043811518 175110928 /nfs/dbraw/zinc/11/09/28/175110928.db2.gz SLXMCYHPCJPUSZ-JKIFEVAISA-N 0 3 292.423 2.455 10 0 CEAEHN CN[C@H](CN1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000043813981 175111837 /nfs/dbraw/zinc/11/18/37/175111837.db2.gz TYSDLSMQZIWESZ-CQSZACIVSA-N 0 3 276.380 2.204 10 0 CEAEHN CCN(C[C@H](NC)c1cc(OC)ccc1OC)C1CC1 ZINC000043821370 175114322 /nfs/dbraw/zinc/11/43/22/175114322.db2.gz QZIYZPQYQLQQCF-HNNXBMFYSA-N 0 3 278.396 2.449 10 0 CEAEHN CCOc1ccccc1[C@H](CN1CCC(OC)CC1)NC ZINC000043890025 175117541 /nfs/dbraw/zinc/11/75/41/175117541.db2.gz LAILMAVSXNENIU-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@H]1c2ccccc2OC[C@@H]1N1CCOC[C@@H]1C ZINC000043891912 175118749 /nfs/dbraw/zinc/11/87/49/175118749.db2.gz GJDCCPWEKXLHBS-QRTARXTBSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](CN1CCOCC1(C)C)c1cc(C)ccc1OC ZINC000043916790 175125477 /nfs/dbraw/zinc/12/54/77/175125477.db2.gz VUSFURPJDPPTHW-HNNXBMFYSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN[C@H](CN1CCOCC1(C)C)c1ccccc1OC ZINC000043916982 175125799 /nfs/dbraw/zinc/12/57/99/175125799.db2.gz XEIIFXQPYNIUKQ-OAHLLOKOSA-N 0 3 292.423 2.457 10 0 CEAEHN CC[C@H]1CCc2nc(N3CCNCC3)sc2C1 ZINC000044494105 175181582 /nfs/dbraw/zinc/18/15/82/175181582.db2.gz DMFWRTHCZMDUBB-JTQLQIEISA-N 0 3 251.399 2.068 10 0 CEAEHN Cc1nc(CN(C)C(=O)C2(N)CCCCC2)cs1 ZINC000044609786 175216573 /nfs/dbraw/zinc/21/65/73/175216573.db2.gz INQIAZZZNIJQSZ-UHFFFAOYSA-N 0 3 267.398 2.072 10 0 CEAEHN Cc1cc(N)ccc1C(=O)NCCN1CCCCCC1 ZINC000044748985 175244174 /nfs/dbraw/zinc/24/41/74/175244174.db2.gz DQXGQUQENCSBMS-UHFFFAOYSA-N 0 3 275.396 2.183 10 0 CEAEHN COc1cccc(NC(=O)[C@@H](CN)Cc2ccccc2)c1 ZINC000044793958 175254348 /nfs/dbraw/zinc/25/43/48/175254348.db2.gz WVBIPZCSKHKSHC-CQSZACIVSA-N 0 3 284.359 2.451 10 0 CEAEHN NC[C@@H](Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000044796214 175254791 /nfs/dbraw/zinc/25/47/91/175254791.db2.gz UOJGSPBBCGCECK-OAHLLOKOSA-N 0 3 260.381 2.207 10 0 CEAEHN C[C@H](CNC1=NC[C@H](c2ccccc2)S1)N(C)C ZINC000045108732 175308778 /nfs/dbraw/zinc/30/87/78/175308778.db2.gz DJOGOWISPFTNJH-DGCLKSJQSA-N 0 3 263.410 2.370 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NCCc1ccccn1 ZINC000045167403 175319178 /nfs/dbraw/zinc/31/91/78/175319178.db2.gz TUEPTKMISSLNFK-LLVKDONJSA-N 0 3 258.369 2.325 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NC[C@H]1CCCCO1 ZINC000045172621 175321731 /nfs/dbraw/zinc/32/17/31/175321731.db2.gz KINCGSZUYRTUQD-GXFFZTMASA-N 0 3 251.374 2.257 10 0 CEAEHN CCCN[C@@](C)(CN(CC)c1ccccc1C)C(N)=O ZINC000045223015 175331407 /nfs/dbraw/zinc/33/14/07/175331407.db2.gz JUUMGPLVCFSZQC-INIZCTEOSA-N 0 3 277.412 2.065 10 0 CEAEHN CCN(CC[C@@](C)(NC1CC1)C(N)=O)c1ccccc1C ZINC000045223112 175331509 /nfs/dbraw/zinc/33/15/09/175331509.db2.gz YOQOIWUEXASNRM-QGZVFWFLSA-N 0 3 289.423 2.207 10 0 CEAEHN CCCCN(CC)C[C@](N)(C(=O)OC)c1ccccc1 ZINC000045223203 175331521 /nfs/dbraw/zinc/33/15/21/175331521.db2.gz DLRDMZYGCWAONE-MRXNPFEDSA-N 0 3 278.396 2.136 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1CCCC[C@@H]1C)C(=O)[O-] ZINC000045227032 175333492 /nfs/dbraw/zinc/33/34/92/175333492.db2.gz FXYWKYUUJOCCFI-GXTWGEPZSA-N 0 3 256.390 2.094 10 0 CEAEHN CN[C@@](CN1CCC[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000045228351 175334106 /nfs/dbraw/zinc/33/41/06/175334106.db2.gz MVFSIZPQPZIPJD-RHSMWYFYSA-N 0 3 290.407 2.006 10 0 CEAEHN CCN[C@@](CN(CC)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045265409 175338348 /nfs/dbraw/zinc/33/83/48/175338348.db2.gz ADSWEMYIROSSIW-QGZVFWFLSA-N 0 3 292.423 2.395 10 0 CEAEHN CCCCCN(C)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045268162 175341063 /nfs/dbraw/zinc/34/10/63/175341063.db2.gz MPKALNRKAHVVAG-HNNXBMFYSA-N 0 3 272.433 2.428 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)[C@@H](C)CCC)C(=O)[O-] ZINC000045271159 175342102 /nfs/dbraw/zinc/34/21/02/175342102.db2.gz MFUOVTSZTQNAKC-JSGCOSHPSA-N 0 3 258.406 2.340 10 0 CEAEHN CCN(CC[C@](C)(NC1CC1)C(N)=O)c1cccc(F)c1 ZINC000045275500 175345871 /nfs/dbraw/zinc/34/58/71/175345871.db2.gz STZKBDWXSPOFNT-INIZCTEOSA-N 0 3 293.386 2.038 10 0 CEAEHN CCCCN(C[C@@](N)(C(=O)OC)c1ccccc1)C1CC1 ZINC000045276174 175346766 /nfs/dbraw/zinc/34/67/66/175346766.db2.gz MLHHSWXGWUHVHO-KRWDZBQOSA-N 0 3 290.407 2.278 10 0 CEAEHN CCOC(=O)[C@H](CN1[C@@H](C)CCC[C@@H]1C)NC(C)C ZINC000045379506 175368161 /nfs/dbraw/zinc/36/81/61/175368161.db2.gz ZTBQBFXDRLBDAY-IHRRRGAJSA-N 0 3 270.417 2.179 10 0 CEAEHN CCCCN(CCCC)C[C@H](NCC)C(=O)OCC ZINC000045380511 175369246 /nfs/dbraw/zinc/36/92/46/175369246.db2.gz UDGMIAPTZDKAFO-AWEZNQCLSA-N 0 3 272.433 2.430 10 0 CEAEHN C[C@@H]1CCCCCN1Cc1ccnc(C(N)=S)c1 ZINC000070409691 175913831 /nfs/dbraw/zinc/91/38/31/175913831.db2.gz VSSUYLIHVJACNP-LLVKDONJSA-N 0 3 263.410 2.480 10 0 CEAEHN N[C@H]1CCN(c2c(Cl)cccc2C(F)(F)F)C1=O ZINC000070495323 175956249 /nfs/dbraw/zinc/95/62/49/175956249.db2.gz LACSQPPDXUOAFU-QMMMGPOBSA-N 0 3 278.661 2.423 10 0 CEAEHN CN1C(=O)CC[C@@H](N)[C@H]1c1ccccc1Br ZINC000070651112 175999260 /nfs/dbraw/zinc/99/92/60/175999260.db2.gz IWWUMWXRPLBUBF-ZYHUDNBSSA-N 0 3 283.169 2.070 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000070824352 176007362 /nfs/dbraw/zinc/00/73/62/176007362.db2.gz PPTMLZBXMLQHEM-KCJUWKMLSA-N 0 3 259.136 2.272 10 0 CEAEHN Nc1ccc(SC[C@H]2CNCCO2)c(Cl)c1 ZINC000070834409 176007820 /nfs/dbraw/zinc/00/78/20/176007820.db2.gz OMVVOIKEBJFYIR-SECBINFHSA-N 0 3 258.774 2.003 10 0 CEAEHN Cc1cccc(C(=O)N(CC[NH3+])C2CCCC2)c1[O-] ZINC000070943672 176016320 /nfs/dbraw/zinc/01/63/20/176016320.db2.gz JOHBZKMXCUHPNK-UHFFFAOYSA-N 0 3 262.353 2.044 10 0 CEAEHN CC(C)N1C(=O)CC[C@H](N)[C@H]1c1cccc(F)c1 ZINC000070987008 176018366 /nfs/dbraw/zinc/01/83/66/176018366.db2.gz UVFXPDNQEXEJIK-GXTWGEPZSA-N 0 3 250.317 2.225 10 0 CEAEHN Cc1ccsc1[C@H]1[C@H](N)CCC(=O)N1C1CC1 ZINC000070987140 176018425 /nfs/dbraw/zinc/01/84/25/176018425.db2.gz CVTHJJQLGDCGAN-ZYHUDNBSSA-N 0 3 250.367 2.210 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc(F)c1F ZINC000070987543 176018584 /nfs/dbraw/zinc/01/85/84/176018584.db2.gz BQYQVDHAGYKEEA-BXUZGUMPSA-N 0 3 266.291 2.118 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cccc2cccnc21 ZINC000070987255 176018731 /nfs/dbraw/zinc/01/87/31/176018731.db2.gz JJFGVQYEHPKUJC-PBHICJAKSA-N 0 3 281.359 2.388 10 0 CEAEHN Cc1cc(C)c(N2CC[C@@H](NC3CC3)C2=O)c(C)c1 ZINC000071035789 176025447 /nfs/dbraw/zinc/02/54/47/176025447.db2.gz DUYOLRUTDFQDNX-CQSZACIVSA-N 0 3 258.365 2.469 10 0 CEAEHN Cc1ccc([C@@H](C)N2CC[C@H](NC3CC3)C2=O)cc1 ZINC000071036612 176026161 /nfs/dbraw/zinc/02/61/61/176026161.db2.gz VFYJKCFGTNLZFW-DOMZBBRYSA-N 0 3 258.365 2.409 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1CC1CCCCC1 ZINC000071039784 176027176 /nfs/dbraw/zinc/02/71/76/176027176.db2.gz UGTNOZFJHKGZEE-CQSZACIVSA-N 0 3 250.386 2.310 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1cccc2c1CCCC2 ZINC000071038209 176027223 /nfs/dbraw/zinc/02/72/23/176027223.db2.gz SUYWKPDFQYZQDZ-OAHLLOKOSA-N 0 3 270.376 2.423 10 0 CEAEHN C[C@@H](C1CCCCC1)N1CC[C@H](NC2CC2)C1=O ZINC000071043098 176029325 /nfs/dbraw/zinc/02/93/25/176029325.db2.gz UCPVKZRFVKGTRQ-FZMZJTMJSA-N 0 3 250.386 2.308 10 0 CEAEHN C[C@@H](Cc1cccs1)N1CCC[C@H](NC2CC2)C1=O ZINC000071043835 176029723 /nfs/dbraw/zinc/02/97/23/176029723.db2.gz ADJPGVBMMQLLPY-FZMZJTMJSA-N 0 3 278.421 2.422 10 0 CEAEHN NC[C@H](Oc1cc(F)ccc1F)c1ccncc1 ZINC000071167340 176049561 /nfs/dbraw/zinc/04/95/61/176049561.db2.gz OQRHOVCMANCTKM-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@H]1CCN(C)C1=O ZINC000071183191 176058735 /nfs/dbraw/zinc/05/87/35/176058735.db2.gz FVPJFWCASNUUIZ-MFKMUULPSA-N 0 3 280.343 2.106 10 0 CEAEHN Cc1ccc(F)c(C(=O)N(C)C[C@@H]2CCN(C)C2)c1 ZINC000071189350 176064964 /nfs/dbraw/zinc/06/49/64/176064964.db2.gz LRVMOZFUFMZWED-GFCCVEGCSA-N 0 3 264.344 2.158 10 0 CEAEHN C[C@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1F ZINC000071207299 176080751 /nfs/dbraw/zinc/08/07/51/176080751.db2.gz YFUSXMJCEMMTCM-TVQRCGJNSA-N 0 3 250.317 2.203 10 0 CEAEHN O=c1ccc(C(F)(F)F)cn1CCNCc1ccoc1 ZINC000071212133 176083721 /nfs/dbraw/zinc/08/37/21/176083721.db2.gz QXZAKIKFUMEZSX-UHFFFAOYSA-N 0 3 286.253 2.250 10 0 CEAEHN C[C@H]1CCN(Cc2ccc(F)cc2C(N)=S)C1 ZINC000071265873 176099530 /nfs/dbraw/zinc/09/95/30/176099530.db2.gz QMFJLPDEAHVLAY-VIFPVBQESA-N 0 3 252.358 2.302 10 0 CEAEHN COC[C@H](O)CN[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000071267599 176100877 /nfs/dbraw/zinc/10/08/77/176100877.db2.gz ZUVYUKYCJGJNPD-SJORKVTESA-N 0 3 287.359 2.079 10 0 CEAEHN Cc1nccc(CN2Cc3ccc(F)cc3C2=N)n1 ZINC000071269082 176102983 /nfs/dbraw/zinc/10/29/83/176102983.db2.gz CJNNVOPRJYMZPY-UHFFFAOYSA-N 0 3 256.284 2.265 10 0 CEAEHN COCCN(Cc1cc(C)ccc1N)[C@@H](C)COC ZINC000071383889 176147015 /nfs/dbraw/zinc/14/70/15/176147015.db2.gz FFUHEZXGYAEWHJ-ZDUSSCGKSA-N 0 3 266.385 2.061 10 0 CEAEHN COC(=O)[C@@H](C)Oc1ccc(C)cc1CNC1CC1 ZINC000071406846 176156335 /nfs/dbraw/zinc/15/63/35/176156335.db2.gz MUTJISRVHDNCHG-LLVKDONJSA-N 0 3 263.337 2.187 10 0 CEAEHN COc1ccc(I)cc1[C@H](C)N ZINC000071463196 176179826 /nfs/dbraw/zinc/17/98/26/176179826.db2.gz UBDDSAAEFIGMMU-LURJTMIESA-N 0 3 277.105 2.320 10 0 CEAEHN CCN(CC)CCn1cc(Br)cc(C)c1=O ZINC000071517346 176194210 /nfs/dbraw/zinc/19/42/10/176194210.db2.gz ZPNYUJOBVKJDLM-UHFFFAOYSA-N 0 3 287.201 2.261 10 0 CEAEHN CCN(CC)CCn1c(C)nc2sc(C)cc2c1=O ZINC000071527882 176194407 /nfs/dbraw/zinc/19/44/07/176194407.db2.gz LLDSKEUFRULNKO-UHFFFAOYSA-N 0 3 279.409 2.417 10 0 CEAEHN CC[C@H](NC)C(=O)c1ccc(OC)c(C)c1OC ZINC000071573211 176199697 /nfs/dbraw/zinc/19/96/97/176199697.db2.gz HTOWEXRTXXUGDB-NSHDSACASA-N 0 3 251.326 2.193 10 0 CEAEHN CO[C@H](CN1CCN2CCCC[C@@H]2C1)C1CCCC1 ZINC000660076920 415872884 /nfs/dbraw/zinc/87/28/84/415872884.db2.gz LYXQWTXSIKDLTD-HZPDHXFCSA-N 0 3 266.429 2.362 10 0 CEAEHN Cc1csc([C@@H](C)NCC2(O)CCSCC2)n1 ZINC000660266198 415947858 /nfs/dbraw/zinc/94/78/58/415947858.db2.gz OKSJEFNVDLBSHU-SNVBAGLBSA-N 0 3 272.439 2.360 10 0 CEAEHN CNCC(=O)N[C@H](C)c1ccc(C(C)C)cc1OC ZINC000076368896 177006040 /nfs/dbraw/zinc/00/60/40/177006040.db2.gz OJPJNMSVINIUPR-LLVKDONJSA-N 0 3 264.369 2.215 10 0 CEAEHN CC1(C)CO[C@@H]2CCN(Cc3ccccc3)C[C@@H]2N1 ZINC000076698266 177061336 /nfs/dbraw/zinc/06/13/36/177061336.db2.gz PQPJSZMOPKDYBI-LSDHHAIUSA-N 0 3 260.381 2.028 10 0 CEAEHN CSC[C@H](C)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000077570037 177281999 /nfs/dbraw/zinc/28/19/99/177281999.db2.gz HSUSAANHEVCMIW-NWDGAFQWSA-N 0 3 275.462 2.013 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CC[C@@H]1CCCO1 ZINC000077730548 177296596 /nfs/dbraw/zinc/29/65/96/177296596.db2.gz CXKQOIBMPSCOQP-KGLIPLIRSA-N 0 3 270.417 2.038 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(Cl)c[nH]1 ZINC000077729935 177296738 /nfs/dbraw/zinc/29/67/38/177296738.db2.gz SIRAGMRJRWIBQR-LLVKDONJSA-N 0 3 271.792 2.374 10 0 CEAEHN CCOc1cc2c(cc1CNCC[C@@H](C)O)O[C@H](C)C2 ZINC000078781943 177388035 /nfs/dbraw/zinc/38/80/35/177388035.db2.gz YXNOVPBJOSIUAN-VXGBXAGGSA-N 0 3 279.380 2.269 10 0 CEAEHN COC(OC)[C@@H](C)N[C@H](C)Cc1c(F)cccc1F ZINC000079641025 177530811 /nfs/dbraw/zinc/53/08/11/177530811.db2.gz LVXILNDYTRAAMS-NXEZZACHSA-N 0 3 273.323 2.493 10 0 CEAEHN CCOc1ccccc1[C@H]1CCN[C@@H](C(=O)N(C)C)C1 ZINC000080100154 177607707 /nfs/dbraw/zinc/60/77/07/177607707.db2.gz NGLJFIYLWKRYTP-GXTWGEPZSA-N 0 3 276.380 2.009 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@@H](O)C2CCC2)c1C ZINC000316292769 270334394 /nfs/dbraw/zinc/33/43/94/270334394.db2.gz ZLVGFNRAAPBEMH-IINYFYTJSA-N 0 3 265.401 2.331 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000184157395 270241800 /nfs/dbraw/zinc/24/18/00/270241800.db2.gz CWNPWDNHWXIGRE-DNGMOHDESA-N 0 3 274.364 2.006 10 0 CEAEHN Cc1c([C@@H](C)NC[C@@H](C)N2CCOCC2)cnn1C(C)C ZINC000191145149 270272328 /nfs/dbraw/zinc/27/23/28/270272328.db2.gz LKBRKFKJPJQWSE-ZIAGYGMSSA-N 0 3 294.443 2.144 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccccc2N(C)C)C1 ZINC000194333822 270296585 /nfs/dbraw/zinc/29/65/85/270296585.db2.gz SYQMMOLTVXHRRE-CYBMUJFWSA-N 0 3 290.411 2.358 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000194336623 270296669 /nfs/dbraw/zinc/29/66/69/270296669.db2.gz NSNQGVISZHINST-AWEZNQCLSA-N 0 3 289.379 2.227 10 0 CEAEHN COCCN1CCN(c2ccnc3ccccc32)C[C@H]1C ZINC000174735325 274031161 /nfs/dbraw/zinc/03/11/61/274031161.db2.gz RXYFWVLPQIJLLS-CQSZACIVSA-N 0 3 285.391 2.392 10 0 CEAEHN C[C@@H]1CCN[C@@H](C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000253157955 274308741 /nfs/dbraw/zinc/30/87/41/274308741.db2.gz QMQFIGPDNLDNSU-BYCMXARLSA-N 0 3 258.365 2.178 10 0 CEAEHN CC(C)[C@H](CO)CN[C@@H](C)c1nc2ccccc2n1C ZINC000348295610 275700555 /nfs/dbraw/zinc/70/05/55/275700555.db2.gz UHIZPQCCVMXWQW-STQMWFEESA-N 0 3 275.396 2.488 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1ncc(CC)s1)N(C)C ZINC000128767246 276037157 /nfs/dbraw/zinc/03/71/57/276037157.db2.gz MKHJFUQRFPJUEE-GFCCVEGCSA-N 0 3 283.441 2.394 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N(C)C ZINC000245769274 276038344 /nfs/dbraw/zinc/03/83/44/276038344.db2.gz KBKGCQSITVSGAS-HZMVEIRTSA-N 0 3 286.419 2.419 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C(C)C)n(C)n1 ZINC000176993739 276377394 /nfs/dbraw/zinc/37/73/94/276377394.db2.gz MELGKHLTWRQVHK-ZDUSSCGKSA-N 0 3 292.427 2.100 10 0 CEAEHN CN1C(=O)C[C@H](N)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062208848 277013696 /nfs/dbraw/zinc/01/36/96/277013696.db2.gz ZTQYNKILRPFDCR-ONGXEEELSA-N 0 3 259.136 2.224 10 0 CEAEHN CN1CCC[C@H]1CNC(=O)NC1CCC(C)(C)CC1 ZINC000174353613 277079880 /nfs/dbraw/zinc/07/98/80/277079880.db2.gz PFJDGFZQRGOQFE-ZDUSSCGKSA-N 0 3 267.417 2.349 10 0 CEAEHN CC(C)(C)C1CCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261895124 277134943 /nfs/dbraw/zinc/13/49/43/277134943.db2.gz VXFQXDZTCNHEEN-CQSZACIVSA-N 0 3 282.428 2.025 10 0 CEAEHN CC(C)N(CCN(C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000158192149 277566830 /nfs/dbraw/zinc/56/68/30/277566830.db2.gz GYRPRMZYSSMHPG-AWEZNQCLSA-N 0 3 291.395 2.102 10 0 CEAEHN C[C@H]1CC(C(=O)N2CCN3CCC[C@H]3C2)C[C@H](C)C1 ZINC000248534458 278323020 /nfs/dbraw/zinc/32/30/20/278323020.db2.gz GDOGMKXRYRKUOZ-NFAWXSAZSA-N 0 3 264.413 2.365 10 0 CEAEHN CCC(C)(C)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000163661242 278577048 /nfs/dbraw/zinc/57/70/48/278577048.db2.gz HBLGOPVJOZVIBH-GFCCVEGCSA-N 0 3 257.422 2.451 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C2CCCCCC2)C1 ZINC000263527753 279059398 /nfs/dbraw/zinc/05/93/98/279059398.db2.gz UUYBUBZSTROBDU-UHFFFAOYSA-N 0 3 268.401 2.236 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000105872286 279522236 /nfs/dbraw/zinc/52/22/36/279522236.db2.gz WDKFSRRCCVLDSE-GXSJLCMTSA-N 0 3 278.306 2.222 10 0 CEAEHN C[C@H]1CN(C(=O)[C@@H](N)CC2CCCCC2)CCS1 ZINC000261577430 279804946 /nfs/dbraw/zinc/80/49/46/279804946.db2.gz OISPQALFYFUJBN-AAEUAGOBSA-N 0 3 270.442 2.248 10 0 CEAEHN C[C@H](NCC(=O)NC(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000195345012 280202282 /nfs/dbraw/zinc/20/22/82/280202282.db2.gz WAKZEOFRQXKFIV-LBPRGKRZSA-N 0 3 297.358 2.199 10 0 CEAEHN CCO[C@H](CCNC(=O)N[C@H]1CCCN(CC)C1)C(C)C ZINC000245431610 280239956 /nfs/dbraw/zinc/23/99/56/280239956.db2.gz OCZOOIMNLGNPKV-LSDHHAIUSA-N 0 3 299.459 2.221 10 0 CEAEHN CCc1cnccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000245845742 280262068 /nfs/dbraw/zinc/26/20/68/280262068.db2.gz FLVDLSBGPKELNJ-DOMZBBRYSA-N 0 3 275.396 2.103 10 0 CEAEHN C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000245992593 280269298 /nfs/dbraw/zinc/26/92/98/280269298.db2.gz AARAHJQYKIFCQD-HZSPNIEDSA-N 0 3 267.417 2.158 10 0 CEAEHN COCCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCCC1 ZINC000246045304 280270763 /nfs/dbraw/zinc/27/07/63/280270763.db2.gz SPRGUODNCDDQOP-HUUCEWRRSA-N 0 3 296.455 2.428 10 0 CEAEHN Cc1cc(Br)cn2c3c(nc12)CCNC3 ZINC000082693391 280311105 /nfs/dbraw/zinc/31/11/05/280311105.db2.gz ORPYWYDTEJIFQY-UHFFFAOYSA-N 0 3 266.142 2.051 10 0 CEAEHN CCCCOC[C@H](O)CN(C)C[C@H](C)c1nccs1 ZINC000248652697 280357349 /nfs/dbraw/zinc/35/73/49/280357349.db2.gz OAMBNHUFJYJJMD-QWHCGFSZSA-N 0 3 286.441 2.356 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCOC(C)(C)C ZINC000376514341 288298468 /nfs/dbraw/zinc/29/84/68/288298468.db2.gz YBHMTLPJLLMOQG-KGLIPLIRSA-N 0 3 254.418 2.360 10 0 CEAEHN Cc1ccc2nccc(N3CCO[C@@H](CN(C)C)C3)c2c1 ZINC000185655223 281169575 /nfs/dbraw/zinc/16/95/75/281169575.db2.gz NLWGMSUFPCMIGF-AWEZNQCLSA-N 0 3 285.391 2.310 10 0 CEAEHN CC[C@@](C)(O)CN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000444577110 281614014 /nfs/dbraw/zinc/61/40/14/281614014.db2.gz XAJHJWVNEMEZEH-OAHLLOKOSA-N 0 3 271.401 2.201 10 0 CEAEHN CN(C)C(=O)CN[C@H]1CCc2c1cccc2Br ZINC000151719909 289065466 /nfs/dbraw/zinc/06/54/66/289065466.db2.gz HLVMWVPHPKZUCA-LBPRGKRZSA-N 0 3 297.196 2.114 10 0 CEAEHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@H](O)COC(C)(C)C ZINC000091080542 293121538 /nfs/dbraw/zinc/12/15/38/293121538.db2.gz ZRWOVEYSSDXVGG-UONOGXRCSA-N 0 3 295.427 2.339 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)c1nc(C(C)(C)C)no1)N(C)C ZINC000162353903 297451787 /nfs/dbraw/zinc/45/17/87/297451787.db2.gz YRVKFZDSXJKIAT-MNOVXSKESA-N 0 3 296.415 2.275 10 0 CEAEHN C[C@H]([NH3+])[C@@]([O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784277 524846306 /nfs/dbraw/zinc/84/63/06/524846306.db2.gz DHYLKIXTXIXYLN-SSDLBLMSSA-N 0 3 255.186 2.062 10 0 CEAEHN NCc1cnc(-c2ccccc2Br)nc1 ZINC000054855309 527262618 /nfs/dbraw/zinc/26/26/18/527262618.db2.gz NSVZKMSHYSHJEC-UHFFFAOYSA-N 0 3 264.126 2.365 10 0 CEAEHN NCc1sc(N2CCSCC2)nc1C1CC1 ZINC000068942199 527269592 /nfs/dbraw/zinc/26/95/92/527269592.db2.gz JUHODQYWSJQHPJ-UHFFFAOYSA-N 0 3 255.412 2.032 10 0 CEAEHN C[C@H]1CC[NH2+]C[C@@H]1N=c1[n-]oc2ccc(Cl)cc21 ZINC000333873629 299999417 /nfs/dbraw/zinc/99/94/17/299999417.db2.gz CEEHZLDMMVZLPG-KWQFWETISA-N 0 3 265.744 2.313 10 0 CEAEHN CCNCc1ccc(N2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000088437293 535477791 /nfs/dbraw/zinc/47/77/91/535477791.db2.gz LTGAGZQDZJQWCD-JTQLQIEISA-N 0 3 288.317 2.365 10 0 CEAEHN CC(C)N[C@@H](CCOc1cccc(C(C)C)c1)C(N)=O ZINC000062548076 519734674 /nfs/dbraw/zinc/73/46/74/519734674.db2.gz NRINTQVHFBLFRM-HNNXBMFYSA-N 0 3 278.396 2.431 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NCC(=O)Nc1ccccc1 ZINC000049555990 519775644 /nfs/dbraw/zinc/77/56/44/519775644.db2.gz LSKZSSUWPYCSSB-HNNXBMFYSA-N 0 3 277.412 2.191 10 0 CEAEHN CCCNCc1cc(CN(CCOC)CC(C)C)on1 ZINC000052508559 519945742 /nfs/dbraw/zinc/94/57/42/519945742.db2.gz HSRHKZYYISHQRK-UHFFFAOYSA-N 0 3 283.416 2.279 10 0 CEAEHN CCNCc1c(C)nn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054599981 519984480 /nfs/dbraw/zinc/98/44/80/519984480.db2.gz BQPHHUWEWZGBRY-KGLIPLIRSA-N 0 3 251.374 2.085 10 0 CEAEHN CCN[C@@H](CCOc1cc(C)ccc1C(C)C)C(N)=O ZINC000062548754 520090738 /nfs/dbraw/zinc/09/07/38/520090738.db2.gz RLQPDPQRFPPPEQ-AWEZNQCLSA-N 0 3 278.396 2.351 10 0 CEAEHN CCN[C@H](C)c1cnn(CCOCC(F)(F)F)c1 ZINC000054721361 520180601 /nfs/dbraw/zinc/18/06/01/520180601.db2.gz PHSLXJNFWRHIEP-SECBINFHSA-N 0 3 265.279 2.133 10 0 CEAEHN CCN(CC(F)(F)F)c1nc(C)c(CN)s1 ZINC000054998503 520423415 /nfs/dbraw/zinc/42/34/15/520423415.db2.gz XPYRGAFJSTVPEE-UHFFFAOYSA-N 0 3 253.293 2.299 10 0 CEAEHN CCCCN(CC)Cc1cccnc1C(N)=S ZINC000061659649 520478179 /nfs/dbraw/zinc/47/81/79/520478179.db2.gz NSRPTTCSXJCCIR-UHFFFAOYSA-N 0 3 251.399 2.338 10 0 CEAEHN CC1(C)CN(c2nc(C3CC3)c(CN)s2)CCO1 ZINC000069179929 520494466 /nfs/dbraw/zinc/49/44/66/520494466.db2.gz WRPXHHJFIZKQSR-UHFFFAOYSA-N 0 3 267.398 2.094 10 0 CEAEHN CCN(CCOC)Cc1csc(CNC(C)C)n1 ZINC000052542584 521136823 /nfs/dbraw/zinc/13/68/23/521136823.db2.gz NLLFRIYWIJGQHU-UHFFFAOYSA-N 0 3 271.430 2.109 10 0 CEAEHN CCN(Cc1cc(CN)oc1C)C[C@H]1CCCO1 ZINC000052510885 521289673 /nfs/dbraw/zinc/28/96/73/521289673.db2.gz UEPDORQWTFUOKQ-CYBMUJFWSA-N 0 3 252.358 2.048 10 0 CEAEHN CCCc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1CN ZINC000054995443 521534357 /nfs/dbraw/zinc/53/43/57/521534357.db2.gz PLFDIXGNYJVCFR-UWVGGRQHSA-N 0 3 269.414 2.168 10 0 CEAEHN CC[C@@H](C)CNCc1sc(N(C)C)nc1OC ZINC000054468119 521996025 /nfs/dbraw/zinc/99/60/25/521996025.db2.gz FRNHZVDPSNMTNV-SECBINFHSA-N 0 3 257.403 2.353 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2ccnc(NC)c2)CC1 ZINC000055071262 522125376 /nfs/dbraw/zinc/12/53/76/522125376.db2.gz ULEZFSUXXUFZGZ-CYBMUJFWSA-N 0 3 262.401 2.039 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000052395840 522437250 /nfs/dbraw/zinc/43/72/50/522437250.db2.gz UVVHLXZQUQXDDK-VXGBXAGGSA-N 0 3 260.381 2.351 10 0 CEAEHN CC(C)(C)NCc1nccn1CCOCC(F)(F)F ZINC000051015261 518768035 /nfs/dbraw/zinc/76/80/35/518768035.db2.gz OBIYTECPMYIGQB-UHFFFAOYSA-N 0 3 279.306 2.350 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)Nc1cccc(N)c1 ZINC000049560546 519337517 /nfs/dbraw/zinc/33/75/17/519337517.db2.gz ITMMHDLDLKOTNT-CQSZACIVSA-N 0 3 278.400 2.367 10 0 CEAEHN CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745718 519714116 /nfs/dbraw/zinc/71/41/16/519714116.db2.gz KWDFLFOCEJVBPK-VHSXEESVSA-N 0 3 268.332 2.137 10 0 CEAEHN CC(C)NCc1cc(CN(C)[C@@H]2CCSC2)on1 ZINC000052453309 519726099 /nfs/dbraw/zinc/72/60/99/519726099.db2.gz ZDKSLHQDDDJZHN-GFCCVEGCSA-N 0 3 269.414 2.110 10 0 CEAEHN CC(C)CN1CCN(C[C@@H]2C[C@H](C)CCC2=O)CC1 ZINC000055081607 519726580 /nfs/dbraw/zinc/72/65/80/519726580.db2.gz PHYGCXVZMCNKFS-CABCVRRESA-N 0 3 266.429 2.265 10 0 CEAEHN CC(C)NCc1cnc(N(C)C2CCOCC2)s1 ZINC000054904588 519728608 /nfs/dbraw/zinc/72/86/08/519728608.db2.gz GQQZXFONOJWSKE-UHFFFAOYSA-N 0 3 269.414 2.256 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NCC(=O)Nc1cccc(F)c1 ZINC000049555996 519775856 /nfs/dbraw/zinc/77/58/56/519775856.db2.gz IPKCVXFSRHAKIJ-HNNXBMFYSA-N 0 3 295.402 2.330 10 0 CEAEHN CC(C)c1ccc(SC[C@@](N)(C(N)=O)C2CC2)cc1 ZINC000069186517 519838959 /nfs/dbraw/zinc/83/89/59/519838959.db2.gz LLGGJEUFBRURGD-HNNXBMFYSA-N 0 3 278.421 2.495 10 0 CEAEHN CCC1CCN(CC[C@H](NC(C)C)C(=O)OC)CC1 ZINC000062526517 519859096 /nfs/dbraw/zinc/85/90/96/519859096.db2.gz ZUAKKWNUFAVCGV-AWEZNQCLSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)NC ZINC000062746476 519888944 /nfs/dbraw/zinc/88/89/44/519888944.db2.gz HDKRVPSTJIFSEV-WDEREUQCSA-N 0 3 282.359 2.400 10 0 CEAEHN CCCC1CCN(C[C@](C)(NCC)C(=O)OC)CC1 ZINC000050905651 519902382 /nfs/dbraw/zinc/90/23/82/519902382.db2.gz OGVBSJSNYADUMF-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061291302 519906489 /nfs/dbraw/zinc/90/64/89/519906489.db2.gz XQMOOMBUSKVJNQ-UHFFFAOYSA-N 0 3 290.411 2.399 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000061290306 519906974 /nfs/dbraw/zinc/90/69/74/519906974.db2.gz SVQSCQYCPIGQAV-UHFFFAOYSA-N 0 3 298.770 2.453 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000061290662 519907642 /nfs/dbraw/zinc/90/76/42/519907642.db2.gz DBZCRVMEWJDJFX-UHFFFAOYSA-N 0 3 272.352 2.199 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000061293624 519908281 /nfs/dbraw/zinc/90/82/81/519908281.db2.gz NSWCVZUDIPYOPC-UHFFFAOYSA-N 0 3 279.340 2.192 10 0 CEAEHN CCCNCc1coc(CN(C)[C@H](C)COC)c1 ZINC000052511760 519966175 /nfs/dbraw/zinc/96/61/75/519966175.db2.gz VAIPGRNCIMQICY-GFCCVEGCSA-N 0 3 254.374 2.246 10 0 CEAEHN CCCNCc1nccn1CCCOCC(F)(F)F ZINC000051005083 519967963 /nfs/dbraw/zinc/96/79/63/519967963.db2.gz PCYDWJCEDGGQAT-UHFFFAOYSA-N 0 3 279.306 2.352 10 0 CEAEHN CCNCc1c(C)nn(C[C@@H]2CCCCO2)c1C ZINC000054717396 519985602 /nfs/dbraw/zinc/98/56/02/519985602.db2.gz ZFHSPYDJVOPPQS-ZDUSSCGKSA-N 0 3 251.374 2.179 10 0 CEAEHN CCNCc1cc(C)nc(Cc2csc(C)n2)n1 ZINC000055296826 519988576 /nfs/dbraw/zinc/98/85/76/519988576.db2.gz SKIWFOVHNCBADQ-UHFFFAOYSA-N 0 3 262.382 2.250 10 0 CEAEHN CCCN[C@@H](C)c1cnc(-c2cnccn2)nc1C ZINC000054963088 519990693 /nfs/dbraw/zinc/99/06/93/519990693.db2.gz HTURLQCYZMOREL-JTQLQIEISA-N 0 3 257.341 2.303 10 0 CEAEHN CCNCc1cc(F)c(-n2nc(C)nc2C)c(F)c1 ZINC000062719723 519992528 /nfs/dbraw/zinc/99/25/28/519992528.db2.gz IBIODYVOFRDGAS-UHFFFAOYSA-N 0 3 266.295 2.272 10 0 CEAEHN CCCN[C@@H](c1cc(C)ccc1OC)[C@H]1COCCO1 ZINC000055300895 520016810 /nfs/dbraw/zinc/01/68/10/520016810.db2.gz CFTMNIVYTOIPAF-CVEARBPZSA-N 0 3 279.380 2.460 10 0 CEAEHN CCOCCOc1c(C)cc(CNCCOC)cc1C ZINC000062728654 520037475 /nfs/dbraw/zinc/03/74/75/520037475.db2.gz PSJIASPSBLRTIH-UHFFFAOYSA-N 0 3 281.396 2.455 10 0 CEAEHN CCCN[C@@](COc1ccccc1C)(C(N)=O)C1CC1 ZINC000069197459 520057350 /nfs/dbraw/zinc/05/73/50/520057350.db2.gz NFFHTGSYTMIBLH-MRXNPFEDSA-N 0 3 276.380 2.008 10 0 CEAEHN CCN[C@@H](C)c1cc(C)ccc1O[C@H](CC)C(N)=O ZINC000061675929 520075280 /nfs/dbraw/zinc/07/52/80/520075280.db2.gz VLVSEKKNOPXZOT-WCQYABFASA-N 0 3 264.369 2.308 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1F)[C@H]1COCCO1 ZINC000055300783 520091136 /nfs/dbraw/zinc/09/11/36/520091136.db2.gz GSHLRRCFWMPAFN-HUUCEWRRSA-N 0 3 283.343 2.290 10 0 CEAEHN CCCN[C@H]1CCN(c2ccc(OC)cc2C)C1=O ZINC000061567985 520096650 /nfs/dbraw/zinc/09/66/50/520096650.db2.gz YBFCMXYYXLPLEI-ZDUSSCGKSA-N 0 3 262.353 2.109 10 0 CEAEHN CCN[C@@H](Cn1ncccc1=O)c1ccc(C)c(C)c1 ZINC000061402138 520107726 /nfs/dbraw/zinc/10/77/26/520107726.db2.gz AEZDSLSSXZEXPZ-HNNXBMFYSA-N 0 3 271.364 2.211 10 0 CEAEHN CCN[C@@H](c1ccc(OC)c(C)c1)[C@H]1COCCO1 ZINC000055300290 520109852 /nfs/dbraw/zinc/10/98/52/520109852.db2.gz TTZOLGUHRSAMEA-CABCVRRESA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CCC2)[C@H]1COCCO1 ZINC000055300134 520112777 /nfs/dbraw/zinc/11/27/77/520112777.db2.gz NPMAJUXLFGNDJI-CVEARBPZSA-N 0 3 261.365 2.241 10 0 CEAEHN CCN[C@@H](c1ccc(OC)cc1C)[C@@H]1COCCO1 ZINC000055299984 520112822 /nfs/dbraw/zinc/11/28/22/520112822.db2.gz OGIMAGNULANSMD-GJZGRUSLSA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@@H]1COc2cc(OC[C@@H](O)C(F)(F)F)ccc21 ZINC000068878118 520123977 /nfs/dbraw/zinc/12/39/77/520123977.db2.gz PBGADURAFSYLGL-ZYHUDNBSSA-N 0 3 291.269 2.032 10 0 CEAEHN CCCNc1cc(C(=O)N[C@@H]2CCCN(CC)C2)ccn1 ZINC000050777700 520132302 /nfs/dbraw/zinc/13/23/02/520132302.db2.gz HKHWHNXGNQVNSY-CQSZACIVSA-N 0 3 290.411 2.118 10 0 CEAEHN CCN[C@@](CSc1ccccc1F)(C(N)=O)C1CC1 ZINC000069186329 520159182 /nfs/dbraw/zinc/15/91/82/520159182.db2.gz COHLKQGOZCSMTK-CQSZACIVSA-N 0 3 282.384 2.161 10 0 CEAEHN CCOC[C@H](O)COc1ccc(Cl)cc1[C@H](C)N ZINC000069275795 520163975 /nfs/dbraw/zinc/16/39/75/520163975.db2.gz JEESHYYKPZWGMI-ONGXEEELSA-N 0 3 273.760 2.136 10 0 CEAEHN CCCNc1ccccc1C(=O)NC1CCN(C)CC1 ZINC000050749523 520176833 /nfs/dbraw/zinc/17/68/33/520176833.db2.gz CWNWJGOPFDZSCK-UHFFFAOYSA-N 0 3 275.396 2.333 10 0 CEAEHN CCCNc1ccccc1C(=O)NC[C@H](C)N(C)C ZINC000050779883 520176867 /nfs/dbraw/zinc/17/68/67/520176867.db2.gz YQVSJUOZAUMVFY-LBPRGKRZSA-N 0 3 263.385 2.188 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCO[C@@H](CC)C2)s1 ZINC000054903644 520181230 /nfs/dbraw/zinc/18/12/30/520181230.db2.gz NNRYLCXIRYHWSI-MNOVXSKESA-N 0 3 269.414 2.429 10 0 CEAEHN CCN[C@H]1COc2cc(OCc3noc(C)n3)ccc21 ZINC000062804662 520222222 /nfs/dbraw/zinc/22/22/22/520222222.db2.gz VLBVPGVUQQWSDU-LBPRGKRZSA-N 0 3 275.308 2.000 10 0 CEAEHN CCN[C@](C)(C[C@H](C)N(CC)c1ccccc1C)C(N)=O ZINC000068616692 520239406 /nfs/dbraw/zinc/23/94/06/520239406.db2.gz IFGXDXJXMOEPRC-WMLDXEAASA-N 0 3 291.439 2.453 10 0 CEAEHN CCNc1cc(CN2CCN(C(C)C)CC2)ccn1 ZINC000052721168 520272754 /nfs/dbraw/zinc/27/27/54/520272754.db2.gz DXDHNKAUEQKJPN-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN CCNc1cc(CN2CCN(C(C)(C)C)CC2)ccn1 ZINC000052729922 520273212 /nfs/dbraw/zinc/27/32/12/520273212.db2.gz XJWNUUSRMSFXGP-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CCCO[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000061612556 520280783 /nfs/dbraw/zinc/28/07/83/520280783.db2.gz YHCWZVYMMIXJDI-HOTGVXAUSA-N 0 3 290.407 2.147 10 0 CEAEHN CCCOc1ccc(C[C@@H](CN)C(=O)N2CCCC2)cc1 ZINC000052919433 520377059 /nfs/dbraw/zinc/37/70/59/520377059.db2.gz VINGGQDPHZFXAX-HNNXBMFYSA-N 0 3 290.407 2.215 10 0 CEAEHN CCCCN(C)C[C@](NCCC)(C(=O)OC)C1CC1 ZINC000069088809 520417481 /nfs/dbraw/zinc/41/74/81/520417481.db2.gz MYELXNBVUUUBAF-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCCN(CC)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069090264 520478351 /nfs/dbraw/zinc/47/83/51/520478351.db2.gz JWCSHTSZTYUCTK-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CCOc1cc2c(cc1[C@H](O)CNC1CC1)O[C@H](C)C2 ZINC000055029084 520801503 /nfs/dbraw/zinc/80/15/03/520801503.db2.gz WSOXJOZZADYYCR-QMTHXVAHSA-N 0 3 277.364 2.194 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCc2ccsc2C1 ZINC000279677858 520802557 /nfs/dbraw/zinc/80/25/57/520802557.db2.gz GFRRKZVSNZJZFK-ZDUSSCGKSA-N 0 3 269.410 2.284 10 0 CEAEHN CCC[C@@H](O)[C@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055069605 520807599 /nfs/dbraw/zinc/80/75/99/520807599.db2.gz GYQGKPKBUFRFNE-SOUVJXGZSA-N 0 3 256.434 2.342 10 0 CEAEHN CC1CCN(CCNc2nccn(C(C)(C)C)c2=O)CC1 ZINC000061764471 521016954 /nfs/dbraw/zinc/01/69/54/521016954.db2.gz BGXRGPXXEDEVDL-UHFFFAOYSA-N 0 3 292.427 2.142 10 0 CEAEHN CCOC(=O)[C@@H](CCN1CCC(C(C)(C)C)CC1)NC ZINC000062530521 521056861 /nfs/dbraw/zinc/05/68/61/521056861.db2.gz XDTVWDBNODWSGY-CQSZACIVSA-N 0 3 284.444 2.286 10 0 CEAEHN CCN(CCOC)Cc1cc(CNC(C)(C)C)no1 ZINC000052542702 521133789 /nfs/dbraw/zinc/13/37/89/521133789.db2.gz FHBDCCIZFFIILU-UHFFFAOYSA-N 0 3 269.389 2.031 10 0 CEAEHN CCN(C[C@@](C)(NC(C)C)C(N)=O)c1ccc(C)cc1 ZINC000049990029 521233665 /nfs/dbraw/zinc/23/36/65/521233665.db2.gz GLVBDPVKWPKKKM-MRXNPFEDSA-N 0 3 277.412 2.063 10 0 CEAEHN CCOC(=O)[C@H](NCCN(C)C)c1ccccc1CC ZINC000052204508 521269448 /nfs/dbraw/zinc/26/94/48/521269448.db2.gz BQOIEMQESUMADO-OAHLLOKOSA-N 0 3 278.396 2.004 10 0 CEAEHN CCOC(=O)[C@H](NCCN(C)C)c1cc(C)sc1C ZINC000049687809 521269681 /nfs/dbraw/zinc/26/96/81/521269681.db2.gz FILPGMTWFKTPLI-CYBMUJFWSA-N 0 3 284.425 2.120 10 0 CEAEHN CCCc1cc(N[C@@H](CN(C)C)C(C)C)ncn1 ZINC000049218350 521381150 /nfs/dbraw/zinc/38/11/50/521381150.db2.gz ZWZBCNMQMFNWOO-ZDUSSCGKSA-N 0 3 250.390 2.427 10 0 CEAEHN CCN([C@@H](CN)c1cc(F)c(F)c(F)c1)[C@@H](C)COC ZINC000062711242 521473174 /nfs/dbraw/zinc/47/31/74/521473174.db2.gz JQWDUJJTSHERHA-ZANVPECISA-N 0 3 290.329 2.461 10 0 CEAEHN CCCN(C)c1c(CNC(C)(C)C)c(C)nn1C ZINC000062735297 521513643 /nfs/dbraw/zinc/51/36/43/521513643.db2.gz MIBCSOVSWHCTKF-UHFFFAOYSA-N 0 3 252.406 2.463 10 0 CEAEHN CCN1CCC(N(C)c2cc(C)nc(Cl)n2)CC1 ZINC000052814806 521566710 /nfs/dbraw/zinc/56/67/10/521566710.db2.gz VEZWGLVKRKCFOH-UHFFFAOYSA-N 0 3 268.792 2.359 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC[C@H]2CC=CCC2)C1 ZINC000069208843 521646371 /nfs/dbraw/zinc/64/63/71/521646371.db2.gz LQDXTZDNLYOZFX-KBPBESRZSA-N 0 3 265.401 2.126 10 0 CEAEHN CCN1CCC[C@H](N2C(=S)N=NC2C(C)C)C1 ZINC000049219369 521651057 /nfs/dbraw/zinc/65/10/57/521651057.db2.gz LUHKLDMBBUTVTN-JTQLQIEISA-N 0 3 254.403 2.347 10 0 CEAEHN CCCN(Cc1nc(NN)ccc1Cl)C1CC1 ZINC000061639068 521693756 /nfs/dbraw/zinc/69/37/56/521693756.db2.gz LOFRKNQFXQNSQL-UHFFFAOYSA-N 0 3 254.765 2.395 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1F ZINC000156818181 521837019 /nfs/dbraw/zinc/83/70/19/521837019.db2.gz YNHBUAQURLHQFV-ISVAXAHUSA-N 0 3 284.331 2.155 10 0 CEAEHN CCc1ccccc1OC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069197968 521922223 /nfs/dbraw/zinc/92/22/23/521922223.db2.gz XFRXGQHFKPZRHZ-KRWDZBQOSA-N 0 3 290.407 2.260 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(OC)ccc1Cl ZINC000061318971 521941690 /nfs/dbraw/zinc/94/16/90/521941690.db2.gz SRVJOUKIMSIVLH-UHFFFAOYSA-N 0 3 256.733 2.285 10 0 CEAEHN COCC[C@H](N)C(=O)Nc1cccc(Cl)c1Cl ZINC000052791181 521949296 /nfs/dbraw/zinc/94/92/96/521949296.db2.gz ICXYMQXUEFMNLF-QMMMGPOBSA-N 0 3 277.151 2.296 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1[C@H](C)O ZINC000049547183 521958475 /nfs/dbraw/zinc/95/84/75/521958475.db2.gz BIXKEZSHUJBKNF-KWBADKCTSA-N 0 3 250.342 2.052 10 0 CEAEHN CC[C@@H](C)N(CCOC)c1ncc([C@@H](C)N)s1 ZINC000054898052 522095146 /nfs/dbraw/zinc/09/51/46/522095146.db2.gz QXZVDWYFKVSOOV-NXEZZACHSA-N 0 3 257.403 2.414 10 0 CEAEHN CNCc1cc(Cn2cc(Br)cn2)oc1C ZINC000052577435 522111817 /nfs/dbraw/zinc/11/18/17/522111817.db2.gz YDEKRASCVGCFGZ-UHFFFAOYSA-N 0 3 284.157 2.315 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2ccc(OC)c(N)c2)CC1 ZINC000055063395 522127221 /nfs/dbraw/zinc/12/72/21/522127221.db2.gz ZWCWPMWYOFDPCZ-CYBMUJFWSA-N 0 3 277.412 2.194 10 0 CEAEHN CNCc1cccnc1N1CCc2ccccc2C1 ZINC000051434248 522140459 /nfs/dbraw/zinc/14/04/59/522140459.db2.gz BMZXDSLHNDHRBJ-UHFFFAOYSA-N 0 3 253.349 2.364 10 0 CEAEHN CN[C@@H](C)C(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000054073134 522320528 /nfs/dbraw/zinc/32/05/28/522320528.db2.gz FFNBNGQCPKZIIK-ZETCQYMHSA-N 0 3 276.258 2.260 10 0 CEAEHN CN[C@@H](CCOc1cc(C)ccc1C(C)(C)C)C(N)=O ZINC000062542351 522347062 /nfs/dbraw/zinc/34/70/62/522347062.db2.gz JQIVCVWFQVECBW-ZDUSSCGKSA-N 0 3 278.396 2.135 10 0 CEAEHN CC[C@@H](C)[C@H](C)NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051112896 522360476 /nfs/dbraw/zinc/36/04/76/522360476.db2.gz WSDCDJMVKLHXLW-SFYZADRCSA-N 0 3 270.764 2.185 10 0 CEAEHN CN[C@@H](c1cnccn1)C1(c2ccccc2)CCOCC1 ZINC000069499933 522374291 /nfs/dbraw/zinc/37/42/91/522374291.db2.gz BUMIQSQOHYEYOE-INIZCTEOSA-N 0 3 283.375 2.486 10 0 CEAEHN COC[C@@H](O)COc1ccc(Cl)cc1CNC(C)C ZINC000069053452 522428223 /nfs/dbraw/zinc/42/82/23/522428223.db2.gz YOGUGGSUWAEOBJ-CYBMUJFWSA-N 0 3 287.787 2.224 10 0 CEAEHN CN[C@H](c1ccc(Br)cc1)[C@@H]1COCCO1 ZINC000055299278 522480736 /nfs/dbraw/zinc/48/07/36/522480736.db2.gz GTYOVWRTJJAFCD-NWDGAFQWSA-N 0 3 286.169 2.125 10 0 CEAEHN CN[C@](CSc1ccc2c(c1)CCC2)(C(N)=O)C1CC1 ZINC000069188150 522533195 /nfs/dbraw/zinc/53/31/95/522533195.db2.gz PYVXZUNGYUZKAW-INIZCTEOSA-N 0 3 290.432 2.121 10 0 CEAEHN CN(CC(F)(F)F)c1ncc(CNC2CC2)s1 ZINC000054905054 522578486 /nfs/dbraw/zinc/57/84/86/522578486.db2.gz HRTMGGSNAGPUHM-UHFFFAOYSA-N 0 3 265.304 2.394 10 0 CEAEHN CC[C@H](NCCc1ccc(Cl)cc1Cl)C(N)=O ZINC000061676430 522601123 /nfs/dbraw/zinc/60/11/23/522601123.db2.gz GWCNVEVPAWPEJA-NSHDSACASA-N 0 3 275.179 2.389 10 0 CEAEHN CC[C@@H](O)COc1cc2c(cc1CNC(C)(C)C)OCO2 ZINC000062733889 523007907 /nfs/dbraw/zinc/00/79/07/523007907.db2.gz BOUNUKWPBVDADD-GFCCVEGCSA-N 0 3 295.379 2.453 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CCSC ZINC000069444207 523018287 /nfs/dbraw/zinc/01/82/87/523018287.db2.gz DIHUZZWGMKHAMZ-UHFFFAOYSA-N 0 3 255.318 2.129 10 0 CEAEHN CC[C@@H](Oc1ccc(Cl)cc1CNC(C)C)C(N)=O ZINC000061675741 523041211 /nfs/dbraw/zinc/04/12/11/523041211.db2.gz SWHDXHZBGPUHCK-GFCCVEGCSA-N 0 3 284.787 2.481 10 0 CEAEHN COCc1ccccc1NC(=O)[C@@H]1NCCC[C@@H]1C ZINC000051793801 523120472 /nfs/dbraw/zinc/12/04/72/523120472.db2.gz SWLPVTFJJUDAHY-SMDDNHRTSA-N 0 3 262.353 2.160 10 0 CEAEHN COCc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000049512013 523120531 /nfs/dbraw/zinc/12/05/31/523120531.db2.gz GSUHVKSIATXVNM-RISCZKNCSA-N 0 3 262.353 2.302 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1Cc1cc(CN)c(C)o1 ZINC000052570960 523342661 /nfs/dbraw/zinc/34/26/61/523342661.db2.gz WEAPWMZFXXWEQD-GWCFXTLKSA-N 0 3 252.358 2.046 10 0 CEAEHN CN(Cc1ccccc1F)CC1(CO)CCOCC1 ZINC000052199750 523370629 /nfs/dbraw/zinc/37/06/29/523370629.db2.gz DGYPUPMZJBYFGV-UHFFFAOYSA-N 0 3 267.344 2.047 10 0 CEAEHN CN(Cc1ccsc1)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051128471 523483507 /nfs/dbraw/zinc/48/35/07/523483507.db2.gz JUMUEBXJCOYTGK-UHFFFAOYSA-N 0 3 296.783 2.354 10 0 CEAEHN CN(c1cccc(CN)c1)S(=O)(=O)Cc1ccccc1 ZINC000061950463 523644917 /nfs/dbraw/zinc/64/49/17/523644917.db2.gz XJZJETWLFIXCHM-UHFFFAOYSA-N 0 3 290.388 2.112 10 0 CEAEHN COCCN(CC(C)C)[C@@H]1CNCc2ccccc21 ZINC000069266368 523682136 /nfs/dbraw/zinc/68/21/36/523682136.db2.gz XKPHBVNXLUZLDD-MRXNPFEDSA-N 0 3 262.397 2.435 10 0 CEAEHN CCc1c(C)nn(Cc2nc(NN)ccc2Cl)c1C ZINC000061639385 523716038 /nfs/dbraw/zinc/71/60/38/523716038.db2.gz UGHKJLZEIJZFHA-UHFFFAOYSA-N 0 3 279.775 2.445 10 0 CEAEHN COC(=O)[C@@](C)(CCN1CCCC(C)(C)C1)NC(C)C ZINC000069517084 523814576 /nfs/dbraw/zinc/81/45/76/523814576.db2.gz KVAPKMXJJMIYMW-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CN(C(=O)c1cccc2c1CCCN2)[C@@H]1CCCN(C)C1 ZINC000061413079 523945625 /nfs/dbraw/zinc/94/56/25/523945625.db2.gz DBFRZLBBUUDCGQ-CYBMUJFWSA-N 0 3 287.407 2.211 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2cc(N)ccc2OC)CC1 ZINC000055063387 523956835 /nfs/dbraw/zinc/95/68/35/523956835.db2.gz WSZVYCGGKHBIJR-ZDUSSCGKSA-N 0 3 277.412 2.194 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccccc1[C@H](C)O ZINC000049547472 524003267 /nfs/dbraw/zinc/00/32/67/524003267.db2.gz ISLBMGQMFUFLGA-QWRGUYRKSA-N 0 3 250.342 2.067 10 0 CEAEHN CCc1ccc([C@@H](Cn2nc(C)ccc2=O)NC)cc1 ZINC000061810263 524032057 /nfs/dbraw/zinc/03/20/57/524032057.db2.gz KAERPOWGXKJCKW-OAHLLOKOSA-N 0 3 271.364 2.075 10 0 CEAEHN COc1cccc([C@@H](CNc2nccn2C)N(C)C)c1 ZINC000050605628 524097513 /nfs/dbraw/zinc/09/75/13/524097513.db2.gz JLYYUHZDFLAZKF-CQSZACIVSA-N 0 3 274.368 2.144 10 0 CEAEHN Cc1ccc(CC(=O)N2[C@H](C)CNC[C@H]2C)cc1C ZINC000069132644 524259998 /nfs/dbraw/zinc/25/99/98/524259998.db2.gz WUFXLABGPHTXRY-ZIAGYGMSSA-N 0 3 260.381 2.055 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1cc(Cl)ccc1N ZINC000049149118 524314447 /nfs/dbraw/zinc/31/44/47/524314447.db2.gz NHAXXCVXJLUWNI-SNVBAGLBSA-N 0 3 281.787 2.136 10 0 CEAEHN Cc1cccc(C)c1OC[C@@](NC1CC1)(C(N)=O)C1CC1 ZINC000069196925 524318984 /nfs/dbraw/zinc/31/89/84/524318984.db2.gz CXACUHJXJDHGLF-KRWDZBQOSA-N 0 3 288.391 2.068 10 0 CEAEHN C[C@H](CN1CCCC1)N1C(=S)N=NC1C1CC1 ZINC000049184520 524322147 /nfs/dbraw/zinc/32/21/47/524322147.db2.gz XCOGLKVOYDBUOP-SECBINFHSA-N 0 3 252.387 2.101 10 0 CEAEHN Cc1ccc(CN)cc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000050430627 524424983 /nfs/dbraw/zinc/42/49/83/524424983.db2.gz NPEOOIHMLFPYSF-INIZCTEOSA-N 0 3 282.343 2.396 10 0 CEAEHN COc1ccccc1CN(C)Cc1ccnc(C(=N)N)c1 ZINC000068761348 524438451 /nfs/dbraw/zinc/43/84/51/524438451.db2.gz FZRZNBVATSSRGT-UHFFFAOYSA-N 0 3 284.363 2.006 10 0 CEAEHN Cc1cc(C)cc(OC[C@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069197374 524452721 /nfs/dbraw/zinc/45/27/21/524452721.db2.gz JUSZIOAQQJWQNN-QGZVFWFLSA-N 0 3 290.407 2.314 10 0 CEAEHN Cc1cc(C)cc(OC[C@@](NC2CC2)(C(N)=O)C2CC2)c1 ZINC000069197373 524453672 /nfs/dbraw/zinc/45/36/72/524453672.db2.gz IKCFWCDUAOYZPJ-KRWDZBQOSA-N 0 3 288.391 2.068 10 0 CEAEHN COc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1C ZINC000049531982 524589239 /nfs/dbraw/zinc/58/92/39/524589239.db2.gz CEXBVUUGHOGPPR-LBPRGKRZSA-N 0 3 250.342 2.316 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(=O)[O-])[NH+](CC1CC1)CC1CC1 ZINC000068647976 524630460 /nfs/dbraw/zinc/63/04/60/524630460.db2.gz MYOZOTYXJIRFEO-SJKOYZFVSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H](C[C@](C)(N)C(N)=O)Oc1cccc2ccccc21 ZINC000068656743 524653001 /nfs/dbraw/zinc/65/30/01/524653001.db2.gz GUCFMVHHABOMAN-BZNIZROVSA-N 0 3 272.348 2.200 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)Cc1cccc(Cl)c1 ZINC000069132640 524697150 /nfs/dbraw/zinc/69/71/50/524697150.db2.gz FWGKQTMTEAYYRT-QWRGUYRKSA-N 0 3 266.772 2.091 10 0 CEAEHN COc1ccc(OC)c(C2(O)CCN(C(C)C)CC2)c1 ZINC000055234374 524811396 /nfs/dbraw/zinc/81/13/96/524811396.db2.gz SGURWZPENIKELL-UHFFFAOYSA-N 0 3 279.380 2.396 10 0 CEAEHN Cc1cccc([C@@H](C)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000069140682 524832479 /nfs/dbraw/zinc/83/24/79/524832479.db2.gz QOWHXRCMOXUBCR-OCCSQVGLSA-N 0 3 267.394 2.223 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(N)=O)Oc1ccc(F)c(F)c1 ZINC000068657723 524851563 /nfs/dbraw/zinc/85/15/63/524851563.db2.gz MSPROTYQKUGWCR-BJOHPYRUSA-N 0 3 298.333 2.118 10 0 CEAEHN C[C@H](N)[C@H](c1ccco1)N(CCO)Cc1ccccc1 ZINC000050513980 524853912 /nfs/dbraw/zinc/85/39/12/524853912.db2.gz WIWKQKZSTYZAHT-XJKSGUPXSA-N 0 3 274.364 2.162 10 0 CEAEHN C[C@H](N)c1cnc(N2CCN(C3CCCC3)CC2)s1 ZINC000054896358 524867941 /nfs/dbraw/zinc/86/79/41/524867941.db2.gz ZWBZKXRJGPGOAU-NSHDSACASA-N 0 3 280.441 2.227 10 0 CEAEHN Cc1ccc(N)c(C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000053005661 524903026 /nfs/dbraw/zinc/90/30/26/524903026.db2.gz BMOTWRUIDBCOMK-CYBMUJFWSA-N 0 3 275.396 2.181 10 0 CEAEHN C[C@@H](Cc1ccco1)N[C@H]1CCCc2c1cnn2CCO ZINC000062771685 524930157 /nfs/dbraw/zinc/93/01/57/524930157.db2.gz ACBUKPVHVPNUHA-WFASDCNBSA-N 0 3 289.379 2.067 10 0 CEAEHN COc1csc(C(=O)NC[C@H](N)c2ccccc2)c1 ZINC000161682588 524952311 /nfs/dbraw/zinc/95/23/11/524952311.db2.gz HVNDCWSIWMVYNQ-LBPRGKRZSA-N 0 3 276.361 2.187 10 0 CEAEHN Cc1cc(F)ccc1C[C@@H](CN)C(=O)N1CCCCC1 ZINC000050568830 524981629 /nfs/dbraw/zinc/98/16/29/524981629.db2.gz PBRWAVODTWPSPR-AWEZNQCLSA-N 0 3 278.371 2.264 10 0 CEAEHN Cc1cc(F)ccc1C[C@H](CN)C(=O)N1CCCCC1 ZINC000050568831 524981704 /nfs/dbraw/zinc/98/17/04/524981704.db2.gz PBRWAVODTWPSPR-CQSZACIVSA-N 0 3 278.371 2.264 10 0 CEAEHN Cc1cc(F)ccc1[C@H](CN)N1CCOCC1(C)C ZINC000050578875 525008854 /nfs/dbraw/zinc/00/88/54/525008854.db2.gz AZAGHYOIDXNLSD-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)CCc1c[nH]c2ccccc12 ZINC000069133187 525099946 /nfs/dbraw/zinc/09/99/46/525099946.db2.gz LSXAMXMNMWTDCK-BETUJISGSA-N 0 3 285.391 2.309 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN(Cc2nc(NN)ccc2Cl)C1 ZINC000061638876 525213048 /nfs/dbraw/zinc/21/30/48/525213048.db2.gz VKTMUVDAFBDEHU-NXEZZACHSA-N 0 3 268.792 2.499 10 0 CEAEHN Cc1ccccc1NC(=O)CN[C@H](C)CN1CCCCC1 ZINC000049501872 525237931 /nfs/dbraw/zinc/23/79/31/525237931.db2.gz CRSUXYJRBVFRLL-OAHLLOKOSA-N 0 3 289.423 2.398 10 0 CEAEHN Cc1ccc(OC[C@@](NC2CC2)(C(N)=O)C2CC2)cc1C ZINC000069197331 525434545 /nfs/dbraw/zinc/43/45/45/525434545.db2.gz WXZBACWJBSOFRB-KRWDZBQOSA-N 0 3 288.391 2.068 10 0 CEAEHN Cc1nc[nH]c1CNC[C@@H](c1ccccc1)N(C)C ZINC000054793963 525459461 /nfs/dbraw/zinc/45/94/61/525459461.db2.gz VNRQVEAXFSBTQO-HNNXBMFYSA-N 0 3 258.369 2.111 10 0 CEAEHN CSCCCN[C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000069441134 525484510 /nfs/dbraw/zinc/48/45/10/525484510.db2.gz ZIJVMUCTUIZHIF-ZDUSSCGKSA-N 0 3 298.452 2.179 10 0 CEAEHN CSCCNCc1ccc2c(c1)OCCCO2 ZINC000069430547 525510441 /nfs/dbraw/zinc/51/04/41/525510441.db2.gz PDVCYKXWZBFBOI-UHFFFAOYSA-N 0 3 253.367 2.301 10 0 CEAEHN Cc1ccc([C@@H](CN)N(CCO)Cc2ccccc2)o1 ZINC000050514104 525756996 /nfs/dbraw/zinc/75/69/96/525756996.db2.gz FTSKVCKHMPBOHX-OAHLLOKOSA-N 0 3 274.364 2.082 10 0 CEAEHN COc1cccc(CN(C)Cc2ccoc2CN)c1 ZINC000052372921 525912386 /nfs/dbraw/zinc/91/23/86/525912386.db2.gz VHBYZTMRIKSUET-UHFFFAOYSA-N 0 3 260.337 2.379 10 0 CEAEHN C[C@H](C(=O)c1ccccc1)N1CCC[C@@H]1CN(C)C ZINC000061642563 526193846 /nfs/dbraw/zinc/19/38/46/526193846.db2.gz GKBDOLDSXAZLQT-UKRRQHHQSA-N 0 3 260.381 2.284 10 0 CEAEHN C[C@H]1CCCCN1Cc1nc(NN)ccc1Cl ZINC000061638912 526251617 /nfs/dbraw/zinc/25/16/17/526251617.db2.gz DEHIJEKKAWFOEB-VIFPVBQESA-N 0 3 254.765 2.395 10 0 CEAEHN Cc1nn(Cc2ccnc(CN)c2)c(C)c1Br ZINC000068751053 526299116 /nfs/dbraw/zinc/29/91/16/526299116.db2.gz MFPPKOXXSZJPEM-UHFFFAOYSA-N 0 3 295.184 2.164 10 0 CEAEHN Oc1cccc2c1CC[C@@H]2NCCN1CCCCC1 ZINC000049574818 526367554 /nfs/dbraw/zinc/36/75/54/526367554.db2.gz UNSWUPUPXLTLBX-HNNXBMFYSA-N 0 3 260.381 2.455 10 0 CEAEHN Cc1noc(COc2cc(F)ccc2[C@H](C)N)n1 ZINC000062745345 526626208 /nfs/dbraw/zinc/62/62/08/526626208.db2.gz UNESAPKBZPMFJR-ZETCQYMHSA-N 0 3 251.261 2.116 10 0 CEAEHN Cc1nc(C)n([C@H](CNC2CC2)c2ccccc2)n1 ZINC000052574536 526765808 /nfs/dbraw/zinc/76/58/08/526765808.db2.gz PNFFZCCNKVCRJA-OAHLLOKOSA-N 0 3 256.353 2.236 10 0 CEAEHN N=C(N)c1cc(OCCCc2ccccc2)ccn1 ZINC000061814654 526821189 /nfs/dbraw/zinc/82/11/89/526821189.db2.gz LUPMKHOBXZVFPE-UHFFFAOYSA-N 0 3 255.321 2.377 10 0 CEAEHN NC(=O)[C@H](CCSc1ccc(Cl)cc1)NC1CC1 ZINC000062597844 526992887 /nfs/dbraw/zinc/99/28/87/526992887.db2.gz MTNCDUVGETYDHQ-LBPRGKRZSA-N 0 3 284.812 2.428 10 0 CEAEHN NC(=O)[C@](N)(CSc1ccccc1Cl)C1CC1 ZINC000069186593 527016897 /nfs/dbraw/zinc/01/68/97/527016897.db2.gz QNKLAHVMAGQABB-LBPRGKRZSA-N 0 3 270.785 2.025 10 0 CEAEHN O=C1C[C@H]2CCC[C@@H](C1)N2CCN1CCCCC1 ZINC000054601129 527034205 /nfs/dbraw/zinc/03/42/05/527034205.db2.gz XWGYUYLBGCZTMU-OKILXGFUSA-N 0 3 250.386 2.058 10 0 CEAEHN O=S(=O)(C[C@H]1CCCC[NH2+]1)[N-]c1cccc(Cl)c1 ZINC000049630811 527184641 /nfs/dbraw/zinc/18/46/41/527184641.db2.gz TYULMJYBFOADBP-GFCCVEGCSA-N 0 3 288.800 2.224 10 0 CEAEHN NC[C@@H](c1cc2ccccc2o1)N1CCN(C2CC2)CC1 ZINC000068811526 527205568 /nfs/dbraw/zinc/20/55/68/527205568.db2.gz MCZKJBFNIGPPCV-HNNXBMFYSA-N 0 3 285.391 2.213 10 0 CEAEHN NC[C@@H](c1ccc2ncccc2c1)N1CCSCC1 ZINC000069502296 527208058 /nfs/dbraw/zinc/20/80/58/527208058.db2.gz KFJAOUMSQKJCAO-HNNXBMFYSA-N 0 3 273.405 2.283 10 0 CEAEHN N[C@H]1Cc2ccccc2[C@@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405643 527420337 /nfs/dbraw/zinc/42/03/37/527420337.db2.gz LNKZQVHJUYGNKY-QRTARXTBSA-N 0 3 288.391 2.077 10 0 CEAEHN N[C@H]1Cc2ccccc2N(C(=O)Cc2ccc(F)cc2)C1 ZINC000070195699 527420479 /nfs/dbraw/zinc/42/04/79/527420479.db2.gz WFOORCPXDDAJOD-HNNXBMFYSA-N 0 3 284.334 2.285 10 0 CEAEHN Cn1nccc1[C@H](N)Cc1ccc(Br)cc1 ZINC000069020406 527628062 /nfs/dbraw/zinc/62/80/62/527628062.db2.gz FQQIPNAGVPNKKE-LLVKDONJSA-N 0 3 280.169 2.425 10 0 CEAEHN CCCc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000116782973 528616157 /nfs/dbraw/zinc/61/61/57/528616157.db2.gz FYGHQWAXMVPGJO-INIZCTEOSA-N 0 3 290.407 2.042 10 0 CEAEHN CCC[C@@H](C(=O)N1CCO[C@@H](c2cccs2)C1)N(C)C ZINC000155003297 528840130 /nfs/dbraw/zinc/84/01/30/528840130.db2.gz BGRMHRIXUPAGFK-QWHCGFSZSA-N 0 3 296.436 2.378 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)CSc2ccncc2)C1 ZINC000158862364 529086515 /nfs/dbraw/zinc/08/65/15/529086515.db2.gz IDKRUHWWCLNCJG-OCCSQVGLSA-N 0 3 293.436 2.019 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CSC(F)(F)F ZINC000177040760 625386489 /nfs/dbraw/zinc/38/64/89/625386489.db2.gz WGSUHICCKKBCMY-SECBINFHSA-N 0 3 284.347 2.182 10 0 CEAEHN C[C@@H](NC[C@@H]1CNC(=O)O1)c1ccc(Cl)s1 ZINC000309504855 628147169 /nfs/dbraw/zinc/14/71/69/628147169.db2.gz BQZFATQYDPKNTB-RNFRBKRXSA-N 0 3 260.746 2.161 10 0 CEAEHN CCN1C[C@@H](C)[C@H](NCc2occc2Br)C1 ZINC000309664326 628186942 /nfs/dbraw/zinc/18/69/42/628186942.db2.gz SQRRLFKPXFRWDG-MWLCHTKSSA-N 0 3 287.201 2.472 10 0 CEAEHN CCC[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])[NH+](C)C ZINC000910981397 638210835 /nfs/dbraw/zinc/21/08/35/638210835.db2.gz ARMKHUZWOBJDLS-NSHDSACASA-N 0 3 272.295 2.339 10 0 CEAEHN CN(C)CCN(C(=O)c1ccc(F)cc1N)C1CCCC1 ZINC000062822814 639785929 /nfs/dbraw/zinc/78/59/29/639785929.db2.gz FKQQVFOOXZLMOV-UHFFFAOYSA-N 0 3 293.386 2.354 10 0 CEAEHN COCc1nc(-c2ccc(OC)cc2)sc1CN ZINC000082446427 178023776 /nfs/dbraw/zinc/02/37/76/178023776.db2.gz HGTSWTRHNYRKDX-UHFFFAOYSA-N 0 3 264.350 2.424 10 0 CEAEHN NC[C@@H](O[C@H]1CCOC1)c1cccc(Br)c1 ZINC000082452970 178031207 /nfs/dbraw/zinc/03/12/07/178031207.db2.gz PFEGYZCNJXLPCS-NWDGAFQWSA-N 0 3 286.169 2.254 10 0 CEAEHN NC[C@@H](O[C@H]1CCOC1)c1ccc(Br)s1 ZINC000082458964 178034096 /nfs/dbraw/zinc/03/40/96/178034096.db2.gz SURHFVZMXMLIRR-JGVFFNPUSA-N 0 3 292.198 2.316 10 0 CEAEHN OC[C@@H]1CN(C[C@H]2CCCC2(F)F)CCC1(F)F ZINC000336266712 365541226 /nfs/dbraw/zinc/54/12/26/365541226.db2.gz HKPGPKMQIJYIOC-ZJUUUORDSA-N 0 3 269.282 2.371 10 0 CEAEHN [NH3+][C@H](Cc1ccccc1)[C@H](O)c1cc([O-])cc(F)c1 ZINC000095790308 185028138 /nfs/dbraw/zinc/02/81/38/185028138.db2.gz TXIKOZLIPPFWSH-HUUCEWRRSA-N 0 3 261.296 2.135 10 0 CEAEHN N[C@H](c1ccc(Br)cn1)C1CCOCC1 ZINC000095825189 185029065 /nfs/dbraw/zinc/02/90/65/185029065.db2.gz JUOOSNMPFILDKJ-NSHDSACASA-N 0 3 271.158 2.271 10 0 CEAEHN Cc1ncsc1CN(C)c1ncc(CN)s1 ZINC000082634424 178141742 /nfs/dbraw/zinc/14/17/42/178141742.db2.gz GQRCSCZDWZLJCL-UHFFFAOYSA-N 0 3 254.384 2.003 10 0 CEAEHN CN1c2ccc([C@H](N)c3ccc(F)cc3)cc2CC1=O ZINC000034940660 361799096 /nfs/dbraw/zinc/79/90/96/361799096.db2.gz WXHWIRVHROOTBO-MRXNPFEDSA-N 0 3 270.307 2.393 10 0 CEAEHN CN(Cc1ccccc1N)C[C@@H](O)c1ccccc1 ZINC000033979553 361786998 /nfs/dbraw/zinc/78/69/98/361786998.db2.gz DVGIYWMJXYCEFJ-MRXNPFEDSA-N 0 3 256.349 2.434 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C\c1ccc(O)cc1 ZINC000492491356 290619538 /nfs/dbraw/zinc/61/95/38/290619538.db2.gz PTFVUHDGPUEDTE-YYRKOSNBSA-N 0 3 290.407 2.498 10 0 CEAEHN Cc1nc(-c2cccc(F)c2)nc(N2CCNCC2)c1C ZINC000035550307 361821631 /nfs/dbraw/zinc/82/16/31/361821631.db2.gz VRUHFSWWWJDZQO-UHFFFAOYSA-N 0 3 286.354 2.309 10 0 CEAEHN O=C(N[C@@H]1CCC12CCCC2)N1CC[C@H](N2CC=CC2)C1 ZINC000336540818 365619428 /nfs/dbraw/zinc/61/94/28/365619428.db2.gz BWASUKNXFSMWEZ-LSDHHAIUSA-N 0 3 289.423 2.365 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CCO1 ZINC000152082236 282136842 /nfs/dbraw/zinc/13/68/42/282136842.db2.gz UKYUGDAKOOBILI-CABCVRRESA-N 0 3 296.455 2.382 10 0 CEAEHN CCN(C[C@H]1CC(c2ccccc2)=NO1)CC(C)(C)O ZINC000036146465 361831717 /nfs/dbraw/zinc/83/17/17/361831717.db2.gz OBXDFVZPYKUTBF-CQSZACIVSA-N 0 3 276.380 2.272 10 0 CEAEHN C[C@H](NCC(=O)Nc1c(F)cccc1F)[C@@H]1CCCO1 ZINC000036823870 361861200 /nfs/dbraw/zinc/86/12/00/361861200.db2.gz CVXGIRHRUJWJGW-CABZTGNLSA-N 0 3 284.306 2.060 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037044267 361891624 /nfs/dbraw/zinc/89/16/24/361891624.db2.gz LWSUAZCLEBEVMB-AEJSXWLSSA-N 0 3 266.307 2.207 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CCCC1)c1ccc(F)c(F)c1 ZINC000037616364 361912698 /nfs/dbraw/zinc/91/26/98/361912698.db2.gz ZDZOIXKVCSGEOC-SECBINFHSA-N 0 3 268.307 2.414 10 0 CEAEHN CN1CC[C@@]2(C1)C[C@H](O)c1cc(Br)ccc1O2 ZINC000097004180 185150629 /nfs/dbraw/zinc/15/06/29/185150629.db2.gz CYXSQJHHFFYTMC-AAEUAGOBSA-N 0 3 298.180 2.339 10 0 CEAEHN CN1CCC[C@@]2(C[C@H](O)c3ccc(F)cc3O2)C1 ZINC000097005835 185150861 /nfs/dbraw/zinc/15/08/61/185150861.db2.gz BKRRGMFRMYBNIL-GXTWGEPZSA-N 0 3 251.301 2.106 10 0 CEAEHN Cc1cc2c(c(Br)c1)NC[C@]21C[C@@H]1N ZINC000725247755 539192514 /nfs/dbraw/zinc/19/25/14/539192514.db2.gz XBYWERQEVHGQDI-GXSJLCMTSA-N 0 3 253.143 2.152 10 0 CEAEHN COCCNCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270384 539215264 /nfs/dbraw/zinc/21/52/64/539215264.db2.gz LLNLCGIQUOJLPO-UHFFFAOYSA-N 0 3 268.666 2.490 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc(OC)cc2)C1 ZINC000092053062 539229439 /nfs/dbraw/zinc/22/94/39/539229439.db2.gz SSSMZTXFFLNQLU-XJKSGUPXSA-N 0 3 278.396 2.067 10 0 CEAEHN CN(C)CCNc1ccc(N)cc1Br ZINC000043601456 362149309 /nfs/dbraw/zinc/14/93/09/362149309.db2.gz CQEWAKVAUOGACP-UHFFFAOYSA-N 0 3 258.163 2.005 10 0 CEAEHN N[C@@H](CCO)c1c(F)cc(Br)cc1F ZINC000044235609 362150985 /nfs/dbraw/zinc/15/09/85/362150985.db2.gz SLLWSLBNEUJEGC-QMMMGPOBSA-N 0 3 266.085 2.110 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CCOCC1)c1ccccc1Cl ZINC000127870782 187338517 /nfs/dbraw/zinc/33/85/17/187338517.db2.gz SBPRUGCLVIHJEV-SNVBAGLBSA-N 0 3 282.771 2.025 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000037029982 343425344 /nfs/dbraw/zinc/42/53/44/343425344.db2.gz XXBQEHOZBAWPHG-WCQYABFASA-N 0 3 292.379 2.008 10 0 CEAEHN CCOCCCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000047061347 362196665 /nfs/dbraw/zinc/19/66/65/362196665.db2.gz UCCLLWAXWRVXMS-OAHLLOKOSA-N 0 3 278.396 2.222 10 0 CEAEHN CCCCOc1cccc(CCNCC(=O)N(C)C)c1 ZINC000043201527 343462173 /nfs/dbraw/zinc/46/21/73/343462173.db2.gz GRHBODILPPXVKN-UHFFFAOYSA-N 0 3 278.396 2.086 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000048150187 362246737 /nfs/dbraw/zinc/24/67/37/362246737.db2.gz KEOPOUOJEMVDJH-SSDOTTSWSA-N 0 3 262.231 2.132 10 0 CEAEHN Cc1noc(C)c1CCN1CCC[C@@H]1CCCO ZINC000336703883 365770503 /nfs/dbraw/zinc/77/05/03/365770503.db2.gz IQJMHAVUDARCMZ-CYBMUJFWSA-N 0 3 252.358 2.071 10 0 CEAEHN C[C@@H](c1ccc(F)c(Br)c1)N1CC(N)C1 ZINC000083634477 178651895 /nfs/dbraw/zinc/65/18/95/178651895.db2.gz YGFAKEYQQUQAOV-ZETCQYMHSA-N 0 3 273.149 2.292 10 0 CEAEHN CCOC(=O)[C@@]1(OCC)CCN(Cc2ccccc2)C1 ZINC000145030858 344408781 /nfs/dbraw/zinc/40/87/81/344408781.db2.gz OHYBFZDDIVHMKG-MRXNPFEDSA-N 0 3 277.364 2.231 10 0 CEAEHN CCCCS[C@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170864615 344491903 /nfs/dbraw/zinc/49/19/03/344491903.db2.gz FLIKDMSABDSWOU-NEPJUHHUSA-N 0 3 258.431 2.071 10 0 CEAEHN CCOCCN1CCN([C@@H]2C=CCCC2)C[C@@H]1C ZINC000246292400 344615818 /nfs/dbraw/zinc/61/58/18/344615818.db2.gz VDYHDFDUCVPING-LSDHHAIUSA-N 0 3 252.402 2.138 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1CCCO ZINC000052761856 362473748 /nfs/dbraw/zinc/47/37/48/362473748.db2.gz IZCZFZPZUYNZMT-HUUCEWRRSA-N 0 3 282.428 2.014 10 0 CEAEHN COc1ccc(OC)c(CN2CCC[C@H]2CCCO)c1 ZINC000052762708 362474159 /nfs/dbraw/zinc/47/41/59/362474159.db2.gz JEMUKPZQHBZKQN-AWEZNQCLSA-N 0 3 279.380 2.441 10 0 CEAEHN NCc1cncc(Br)c1OC(F)(F)F ZINC000238570827 344606510 /nfs/dbraw/zinc/60/65/10/344606510.db2.gz JXQALYINUSBJDX-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN NCc1ccnc(Br)c1OC(F)(F)F ZINC000238689385 344607511 /nfs/dbraw/zinc/60/75/11/344607511.db2.gz UKSQUFLBODNQNV-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN C[C@@]1(C(=O)N2CCc3ccsc3C2)CCCCN1 ZINC000335551233 212255400 /nfs/dbraw/zinc/25/54/00/212255400.db2.gz CMRSKYBEAZOGBU-AWEZNQCLSA-N 0 3 264.394 2.165 10 0 CEAEHN OCCN1CCC[C@H](NCc2ccc(F)cc2Cl)C1 ZINC000384749157 344828998 /nfs/dbraw/zinc/82/89/98/344828998.db2.gz RXBFSXKJFKKKHW-ZDUSSCGKSA-N 0 3 286.778 2.025 10 0 CEAEHN Cc1sc(Br)cc1[C@@H](N)CCCC(N)=O ZINC000084007009 178770578 /nfs/dbraw/zinc/77/05/78/178770578.db2.gz ZCBCHXBBKKBDHT-QMMMGPOBSA-N 0 3 291.214 2.474 10 0 CEAEHN CN1C[C@H](O)C[C@@H](C(O)(c2ccccc2)c2ccccc2)C1 ZINC000584631780 344969923 /nfs/dbraw/zinc/96/99/23/344969923.db2.gz VYIWRCQCGWIWKO-QZTJIDSGSA-N 0 3 297.398 2.235 10 0 CEAEHN Cc1nn(-c2ccccc2)c(C)c1[C@@H](CN)N(C)C ZINC000053994331 362503934 /nfs/dbraw/zinc/50/39/34/362503934.db2.gz XBBRAPNJUBMSAQ-CQSZACIVSA-N 0 3 258.369 2.051 10 0 CEAEHN CCCN(CCC)C(=O)N[C@H]1CCCN(CC)C1 ZINC000057870266 362597654 /nfs/dbraw/zinc/59/76/54/362597654.db2.gz SONAPYDATJWIHK-ZDUSSCGKSA-N 0 3 255.406 2.302 10 0 CEAEHN CN[C@@H](c1cccc(OC)c1OC)[C@@H]1CCOC1 ZINC000097181815 185557263 /nfs/dbraw/zinc/55/72/63/185557263.db2.gz NCABBCYDKNMJSE-ZWNOBZJWSA-N 0 3 251.326 2.001 10 0 CEAEHN CCc1nnc(C)cc1[C@H](N)[C@H]1CCc2cccnc21 ZINC000097305482 185582264 /nfs/dbraw/zinc/58/22/64/185582264.db2.gz OGXRDQVZSZWWNL-IUODEOHRSA-N 0 3 268.364 2.472 10 0 CEAEHN Cc1cccc(OCCN2CCC[C@@H](n3cncn3)C2)c1 ZINC000171704837 232270272 /nfs/dbraw/zinc/27/02/72/232270272.db2.gz TYKZBBJWLIITBT-OAHLLOKOSA-N 0 3 286.379 2.302 10 0 CEAEHN C[C@@H](O)c1ccnc(N2CCN(C(C)(C)C)CC2)c1 ZINC000095003083 136515460 /nfs/dbraw/zinc/51/54/60/136515460.db2.gz FLLQSKYVNYCVPQ-GFCCVEGCSA-N 0 3 263.385 2.055 10 0 CEAEHN Cc1csc(SC[C@](CO)(NC2CC2)C2CC2)n1 ZINC000085292558 179007750 /nfs/dbraw/zinc/00/77/50/179007750.db2.gz VRQJYTVXGJBXMG-ZDUSSCGKSA-N 0 3 284.450 2.437 10 0 CEAEHN NCc1c[nH]c(-c2ccccc2Br)n1 ZINC000062820776 362724263 /nfs/dbraw/zinc/72/42/63/362724263.db2.gz BOFCAMKUAJMVKM-UHFFFAOYSA-N 0 3 252.115 2.298 10 0 CEAEHN CCOCCN1C[C@H](c2ccccc2)NC[C@@H]1CC ZINC000085505050 179083999 /nfs/dbraw/zinc/08/39/99/179083999.db2.gz UVHBXZQSMRICJF-JKSUJKDBSA-N 0 3 262.397 2.448 10 0 CEAEHN CCc1c(CN)cnn1-c1ccc(Br)cn1 ZINC000085655543 179110662 /nfs/dbraw/zinc/11/06/62/179110662.db2.gz YRDIFTKOXROZGH-UHFFFAOYSA-N 0 3 281.157 2.051 10 0 CEAEHN COc1ccc(F)cc1CN[C@@H]1CCCC[C@@H]1CO ZINC000336818297 365863054 /nfs/dbraw/zinc/86/30/54/365863054.db2.gz UXQPPOMCALXJGZ-BXUZGUMPSA-N 0 3 267.344 2.475 10 0 CEAEHN CN[C@@H](CCO)C[S@](=O)c1cc(Cl)ccc1Cl ZINC000085926733 179202297 /nfs/dbraw/zinc/20/22/97/179202297.db2.gz CVXQWVONMAGLJP-HUTHGQBESA-N 0 3 296.219 2.071 10 0 CEAEHN Nc1ccc(SC[C@H]2CNCCO2)cc1Cl ZINC000085938202 179202781 /nfs/dbraw/zinc/20/27/81/179202781.db2.gz YUJWQLYTFQBSJY-MRVPVSSYSA-N 0 3 258.774 2.003 10 0 CEAEHN C[C@@H](NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1 ZINC000085986244 179211995 /nfs/dbraw/zinc/21/19/95/179211995.db2.gz PMXBRNOPOTXSIM-NFAWXSAZSA-N 0 3 276.380 2.154 10 0 CEAEHN O=C(CNC[C@@H]1CCCC[C@@H]1O)Nc1ccccc1Cl ZINC000085987651 179212793 /nfs/dbraw/zinc/21/27/93/179212793.db2.gz MBFQPYVHJFASJF-FZMZJTMJSA-N 0 3 296.798 2.419 10 0 CEAEHN c1nc(CCN2CCNC[C@H]2c2ccccc2)cs1 ZINC000086177859 179246463 /nfs/dbraw/zinc/24/64/63/179246463.db2.gz CTXXDPIMYUEADK-HNNXBMFYSA-N 0 3 273.405 2.332 10 0 CEAEHN CN[C@H]1CCCc2sc(N(C)[C@@H]3CCCN(C)C3)nc21 ZINC000086443087 179293473 /nfs/dbraw/zinc/29/34/73/179293473.db2.gz ZEPFILAZKXIPHG-NEPJUHHUSA-N 0 3 294.468 2.270 10 0 CEAEHN N[C@@H]1CCCc2sc(N3CCCSCC3)nc21 ZINC000086443911 179293482 /nfs/dbraw/zinc/29/34/82/179293482.db2.gz WSDYKGKVTVLARP-SECBINFHSA-N 0 3 269.439 2.423 10 0 CEAEHN CC1(C)CN(c2nc3c(s2)CCC[C@H]3N)CCO1 ZINC000086442913 179293586 /nfs/dbraw/zinc/29/35/86/179293586.db2.gz UUTJHBRCPIUWST-SECBINFHSA-N 0 3 267.398 2.094 10 0 CEAEHN CCN[C@@H]1CCCc2sc(N3CCCOCC3)nc21 ZINC000086444007 179293716 /nfs/dbraw/zinc/29/37/16/179293716.db2.gz ONMFIXJUNRLVAF-LLVKDONJSA-N 0 3 281.425 2.357 10 0 CEAEHN CN[C@@H]1CCCc2sc(N3CCN(C(C)C)CC3)nc21 ZINC000086442772 179294016 /nfs/dbraw/zinc/29/40/16/179294016.db2.gz BJALVFKMDZPDCQ-GFCCVEGCSA-N 0 3 294.468 2.270 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(C)o1 ZINC000086447337 179295543 /nfs/dbraw/zinc/29/55/43/179295543.db2.gz FKQAWYRHBJYMEK-NWDGAFQWSA-N 0 3 250.342 2.191 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)[C@H](CC)CN1 ZINC000086447889 179295846 /nfs/dbraw/zinc/29/58/46/179295846.db2.gz OFBXXLSWMAUKSU-HUUCEWRRSA-N 0 3 289.423 2.355 10 0 CEAEHN COC(OC)[C@H](N)Cc1ccc(Cl)cc1Cl ZINC000086451799 179296474 /nfs/dbraw/zinc/29/64/74/179296474.db2.gz HUYIDTZZPXNSLA-SNVBAGLBSA-N 0 3 264.152 2.482 10 0 CEAEHN CCS(=O)(=O)CC[C@]1(N)CCCc2ccccc21 ZINC000086567322 179307549 /nfs/dbraw/zinc/30/75/49/179307549.db2.gz JXQIUQDJHVJJEO-CQSZACIVSA-N 0 3 267.394 2.002 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC1=NC[C@H](C)CS1 ZINC000086633011 179314967 /nfs/dbraw/zinc/31/49/67/179314967.db2.gz DLBIOTHSNVKTBH-NWDGAFQWSA-N 0 3 257.447 2.291 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000086672030 179317752 /nfs/dbraw/zinc/31/77/52/179317752.db2.gz BXOGUJYMFKBKHH-QWHCGFSZSA-N 0 3 287.812 2.395 10 0 CEAEHN C[C@@H]1CCC[C@@H]1N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776358 179328783 /nfs/dbraw/zinc/32/87/83/179328783.db2.gz YAOGTICICRTWKR-VHDGCEQUSA-N 0 3 280.412 2.188 10 0 CEAEHN C[C@@H]1CCC[C@@H]1N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776358 179328787 /nfs/dbraw/zinc/32/87/87/179328787.db2.gz YAOGTICICRTWKR-VHDGCEQUSA-N 0 3 280.412 2.188 10 0 CEAEHN CCCN1CCC[C@@]([NH2+][C@@H](C)CC)(C(=O)[O-])CC1 ZINC000086850489 179357761 /nfs/dbraw/zinc/35/77/61/179357761.db2.gz KVXJAFQOHBAHQJ-JSGCOSHPSA-N 0 3 256.390 2.094 10 0 CEAEHN CC(C)C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086869089 179362057 /nfs/dbraw/zinc/36/20/57/179362057.db2.gz LENUKLLHCORLMA-CQSZACIVSA-N 0 3 270.417 2.292 10 0 CEAEHN CC(C)C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086869089 179362059 /nfs/dbraw/zinc/36/20/59/179362059.db2.gz LENUKLLHCORLMA-CQSZACIVSA-N 0 3 270.417 2.292 10 0 CEAEHN CC[C@H](C)[NH2+][C@]1(C(=O)[O-])CCCN(C(C)C)CC1 ZINC000086850481 179358134 /nfs/dbraw/zinc/35/81/34/179358134.db2.gz KEVBEDFKHRUWCV-GXTWGEPZSA-N 0 3 256.390 2.092 10 0 CEAEHN C1CN[C@@H](c2nc([C@@H]3CSCCS3)no2)C1 ZINC000086981374 179373064 /nfs/dbraw/zinc/37/30/64/179373064.db2.gz OXYOHLROPKIGPG-SFYZADRCSA-N 0 3 257.384 2.015 10 0 CEAEHN CCc1nc(-c2ccc(OC)c(F)c2)nc(NN)c1C ZINC000086994279 179375894 /nfs/dbraw/zinc/37/58/94/179375894.db2.gz DWFFFKVZNIJYBA-UHFFFAOYSA-N 0 3 276.315 2.448 10 0 CEAEHN CC1CCC(O)(CNC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000087045679 179388134 /nfs/dbraw/zinc/38/81/34/179388134.db2.gz VRBKQFIKBGWYQY-UHFFFAOYSA-N 0 3 298.427 2.137 10 0 CEAEHN CCC1CCC(O)(CN[C@@H](C)c2cc[nH]n2)CC1 ZINC000087053424 179388631 /nfs/dbraw/zinc/38/86/31/179388631.db2.gz RPCUUDWKTCEKNO-DCBWTQNWSA-N 0 3 251.374 2.392 10 0 CEAEHN C[C@H](NCC1(O)CCCCC1)C(=O)NC1CCCCC1 ZINC000087029329 179382354 /nfs/dbraw/zinc/38/23/54/179382354.db2.gz SWFYCZZRHJKARP-ZDUSSCGKSA-N 0 3 282.428 2.109 10 0 CEAEHN CNCc1ccc(OCc2ccc(Cl)cc2)nn1 ZINC000087095600 179394309 /nfs/dbraw/zinc/39/43/09/179394309.db2.gz ZBROXDHGMABARG-UHFFFAOYSA-N 0 3 263.728 2.428 10 0 CEAEHN CCC1CCC(O)(CNCc2ccccc2C(N)=O)CC1 ZINC000087065843 179390050 /nfs/dbraw/zinc/39/00/50/179390050.db2.gz QTCKHHDQIQELBB-UHFFFAOYSA-N 0 3 290.407 2.206 10 0 CEAEHN CC[C@H](C)NC(=O)[C@H](C)NCC1(O)CCC(C)(C)CC1 ZINC000087063965 179390175 /nfs/dbraw/zinc/39/01/75/179390175.db2.gz NITGJNQISMGYCH-STQMWFEESA-N 0 3 284.444 2.211 10 0 CEAEHN C[C@@H]1CCC[C@@](O)(CNCc2cn3ccccc3n2)C1 ZINC000087064171 179390302 /nfs/dbraw/zinc/39/03/02/179390302.db2.gz IWKRDMKHFXETCJ-CJNGLKHVSA-N 0 3 273.380 2.365 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(NCC2(O)CCCCCC2)C1 ZINC000087089052 179393571 /nfs/dbraw/zinc/39/35/71/179393571.db2.gz JYJRCUOXTUZWSK-UHFFFAOYSA-N 0 3 298.427 2.281 10 0 CEAEHN COc1cc(OC)cc([C@@H]2CNCC(C)(C)O2)c1 ZINC000087090446 179394066 /nfs/dbraw/zinc/39/40/66/179394066.db2.gz FJRUZNJSZQIYJA-ZDUSSCGKSA-N 0 3 251.326 2.143 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2cc(OC)ccc2OC)O1 ZINC000087090350 179394071 /nfs/dbraw/zinc/39/40/71/179394071.db2.gz ZUGQZOAYRPUSMD-YGRLFVJLSA-N 0 3 251.326 2.143 10 0 CEAEHN COc1ccc(Cl)cc1CC1(O)CCN(C)CC1 ZINC000087165786 179398620 /nfs/dbraw/zinc/39/86/20/179398620.db2.gz IKCYXYPMMZIWSA-UHFFFAOYSA-N 0 3 269.772 2.348 10 0 CEAEHN CN[C@@](C)(CC(=O)OC)c1cc(C)ccc1OC ZINC000087553097 179444962 /nfs/dbraw/zinc/44/49/62/179444962.db2.gz VHWXSGNRUKPJFI-AWEZNQCLSA-N 0 3 251.326 2.001 10 0 CEAEHN CN[C@H](c1sccc1Br)[C@H]1COCCO1 ZINC000087570211 179447804 /nfs/dbraw/zinc/44/78/04/179447804.db2.gz UHDPHDVPWQWHNS-BDAKNGLRSA-N 0 3 292.198 2.187 10 0 CEAEHN CC(C)[C@@H](C)N(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000087617317 179454974 /nfs/dbraw/zinc/45/49/74/179454974.db2.gz IFYXHUHVSGFTDY-DOMZBBRYSA-N 0 3 260.381 2.376 10 0 CEAEHN CC(=O)Nc1ccc([C@H]2CN(C(C)(C)C)CCN2)cc1 ZINC000616632640 348540919 /nfs/dbraw/zinc/54/09/19/348540919.db2.gz UNTDBSDFKLOXSC-OAHLLOKOSA-N 0 3 275.396 2.390 10 0 CEAEHN CCN1CCCO[C@H](c2cccc3ccnnc32)C1 ZINC000616650098 348547578 /nfs/dbraw/zinc/54/75/78/348547578.db2.gz SVCBGDVOKYKYEI-AWEZNQCLSA-N 0 3 257.337 2.413 10 0 CEAEHN CCN1CCCOC[C@H]1c1cccc2nnccc21 ZINC000616649625 348547883 /nfs/dbraw/zinc/54/78/83/348547883.db2.gz NZXYPJOTHBNGLS-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CCOC(=O)c1ccc([C@@H]2CN(C)CCCO2)cc1 ZINC000616650680 348548055 /nfs/dbraw/zinc/54/80/55/348548055.db2.gz GZNJTLDRKOGIRE-AWEZNQCLSA-N 0 3 263.337 2.257 10 0 CEAEHN CCCn1ccnc1[C@@H](NCC)C1CCOCC1 ZINC000087811706 179490490 /nfs/dbraw/zinc/49/04/90/179490490.db2.gz OYMVFODWOHRGHM-ZDUSSCGKSA-N 0 3 251.374 2.370 10 0 CEAEHN CC(C)(C)N1CCOCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616655887 348550155 /nfs/dbraw/zinc/55/01/55/348550155.db2.gz KXZIUCHMWBLHEK-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN C/C=C/C(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000616569378 348523646 /nfs/dbraw/zinc/52/36/46/348523646.db2.gz IWZXQWTXOXVFQT-UXLGEMMMSA-N 0 3 262.328 2.045 10 0 CEAEHN OCCc1ccc([C@@H]2NCCc3ccccc32)cc1 ZINC000616586878 348526670 /nfs/dbraw/zinc/52/66/70/348526670.db2.gz INXBPDJIHZOXNT-KRWDZBQOSA-N 0 3 253.345 2.457 10 0 CEAEHN CCN1CCO[C@@H](c2cccc3nnccc32)CC1 ZINC000616593740 348528330 /nfs/dbraw/zinc/52/83/30/348528330.db2.gz LJDKNFHNBZKMNS-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN c1ccc(CN2CCOC[C@@H](c3ccnnc3)C2)cc1 ZINC000616598718 348530583 /nfs/dbraw/zinc/53/05/83/348530583.db2.gz QCFUKQFGBPZBGK-INIZCTEOSA-N 0 3 269.348 2.093 10 0 CEAEHN CCN1CCOC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616659341 348551330 /nfs/dbraw/zinc/55/13/30/348551330.db2.gz IOPPLWFRCPAWGT-CQSZACIVSA-N 0 3 257.337 2.066 10 0 CEAEHN OCCN1CCC[C@H](c2cncc3ccccc32)C1 ZINC000616618145 348535529 /nfs/dbraw/zinc/53/55/29/348535529.db2.gz OPFLEXIYMDKCKD-AWEZNQCLSA-N 0 3 256.349 2.407 10 0 CEAEHN c1ncc([C@H]2COCCN(Cc3ccccc3)C2)o1 ZINC000616662704 348553541 /nfs/dbraw/zinc/55/35/41/348553541.db2.gz KESITHRCVZGOJP-CQSZACIVSA-N 0 3 258.321 2.291 10 0 CEAEHN Nc1cccc([C@H]2c3ccccc3CCN2CCO)c1 ZINC000616678790 348558224 /nfs/dbraw/zinc/55/82/24/348558224.db2.gz MNNNMPJTMXCKDS-KRWDZBQOSA-N 0 3 268.360 2.209 10 0 CEAEHN COc1ccc(COc2c(C)nn(C)c2C)cc1CN ZINC000088453191 179607153 /nfs/dbraw/zinc/60/71/53/179607153.db2.gz NTCMIPJLWGKTGL-UHFFFAOYSA-N 0 3 275.352 2.083 10 0 CEAEHN Cc1cc(CNC(C)C)cc(S(=O)(=O)NC(C)C)c1C ZINC000088976808 179689616 /nfs/dbraw/zinc/68/96/16/179689616.db2.gz YTQBSYIJMYTMBX-UHFFFAOYSA-N 0 3 298.452 2.488 10 0 CEAEHN CCc1ncnc(NCc2ccc3c(c2)CNC3)c1F ZINC000234218256 539694651 /nfs/dbraw/zinc/69/46/51/539694651.db2.gz PPDMAOUNTPBKPW-UHFFFAOYSA-N 0 3 272.327 2.393 10 0 CEAEHN Cc1ccc(C(=O)CCN2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000401917450 233186042 /nfs/dbraw/zinc/18/60/42/233186042.db2.gz UXGAMHPFCBAPOG-ZFWWWQNUSA-N 0 3 261.365 2.271 10 0 CEAEHN CCCCOc1ccc(CN[C@@H]2CCOC[C@@H]2O)cc1 ZINC000623763801 350105584 /nfs/dbraw/zinc/10/55/84/350105584.db2.gz QDUFDRNCEPTYFW-CVEARBPZSA-N 0 3 279.380 2.105 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000623763770 350105719 /nfs/dbraw/zinc/10/57/19/350105719.db2.gz OOHKWVOKQYYCDH-NEPJUHHUSA-N 0 3 276.163 2.233 10 0 CEAEHN COc1ccc2c(c1)[C@H](NCC[C@@H](C)[S@](C)=O)CCO2 ZINC000090517934 179996051 /nfs/dbraw/zinc/99/60/51/179996051.db2.gz BOPOQDQKZKKGDR-QRVQBPJGSA-N 0 3 297.420 2.266 10 0 CEAEHN C[C@]1(c2nc3c(cccc3F)n2C2CC2)COC[C@@H]1N ZINC000090571796 180007236 /nfs/dbraw/zinc/00/72/36/180007236.db2.gz HMWGGKWIJUQIBE-WFASDCNBSA-N 0 3 275.327 2.126 10 0 CEAEHN C[C@]1(c2nc3cc(F)ccc3s2)COC[C@@H]1N ZINC000090573010 180008025 /nfs/dbraw/zinc/00/80/25/180008025.db2.gz GPONTLLWLCZPRC-JQWIXIFHSA-N 0 3 252.314 2.051 10 0 CEAEHN C[C@]1(c2nc(-c3ccc(F)cc3Cl)no2)COC[C@H]1N ZINC000090573780 180008047 /nfs/dbraw/zinc/00/80/47/180008047.db2.gz CJZBOBNWVROGDJ-MFKMUULPSA-N 0 3 297.717 2.144 10 0 CEAEHN CC(C)c1ccc(NC(=O)[C@@]2(C)COC[C@@H]2N)cc1 ZINC000090580637 180008840 /nfs/dbraw/zinc/00/88/40/180008840.db2.gz FCUMTLNRVWARAN-ZFWWWQNUSA-N 0 3 262.353 2.112 10 0 CEAEHN CC(C)C[C@H](NC(=O)[C@@]1(C)COC[C@@H]1N)c1ccccc1 ZINC000090587272 180009121 /nfs/dbraw/zinc/00/91/21/180009121.db2.gz HEZUXYNKIJQJOR-ZOBUZTSGSA-N 0 3 290.407 2.254 10 0 CEAEHN CC(C)COc1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090590048 180010220 /nfs/dbraw/zinc/01/02/20/180010220.db2.gz OXZNMWMZTRNHLL-HOCLYGCPSA-N 0 3 292.379 2.024 10 0 CEAEHN CCN(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)COC[C@H]1N ZINC000090592292 180010553 /nfs/dbraw/zinc/01/05/53/180010553.db2.gz QOHARZQLKBDCQS-HIFRSBDPSA-N 0 3 296.798 2.052 10 0 CEAEHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1cn(CCCO)nn1 ZINC000090638243 180017419 /nfs/dbraw/zinc/01/74/19/180017419.db2.gz KORLZPKHQDPFRG-CABCVRRESA-N 0 3 294.443 2.355 10 0 CEAEHN COC(=O)c1cc(N[C@H](C)CN2CCCCC2)ccn1 ZINC000090737680 180034032 /nfs/dbraw/zinc/03/40/32/180034032.db2.gz YMFLJZBYKOXXPD-GFCCVEGCSA-N 0 3 277.368 2.155 10 0 CEAEHN CCC(CC)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000104445584 186004724 /nfs/dbraw/zinc/00/47/24/186004724.db2.gz YHIXDRQYSNEWMY-WFASDCNBSA-N 0 3 262.397 2.497 10 0 CEAEHN COc1cc(N[C@H](CC(C)C)CN(C)C)nc(C)n1 ZINC000090792201 180042855 /nfs/dbraw/zinc/04/28/55/180042855.db2.gz KFHVPLSYSGFZQN-GFCCVEGCSA-N 0 3 266.389 2.182 10 0 CEAEHN COc1ccccc1[C@H](C)NC[C@H](C)[S@](C)=O ZINC000090841233 180043909 /nfs/dbraw/zinc/04/39/09/180043909.db2.gz AGOYSAYJRLLAPX-PSVSLLHZSA-N 0 3 255.383 2.113 10 0 CEAEHN CCNC(=O)[C@H](C)Sc1cccc(CNCCOC)c1 ZINC000090873100 180050221 /nfs/dbraw/zinc/05/02/21/180050221.db2.gz ZXEVKDCPELQTSE-LBPRGKRZSA-N 0 3 296.436 2.039 10 0 CEAEHN CCNCc1cn(C[C@H]2Cc3ccccc3O2)nc1C ZINC000090877753 180052298 /nfs/dbraw/zinc/05/22/98/180052298.db2.gz WRWAZNVWMZFDQC-OAHLLOKOSA-N 0 3 271.364 2.305 10 0 CEAEHN NC[C@@H](c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905578 180060337 /nfs/dbraw/zinc/06/03/37/180060337.db2.gz DCLDQGSYQMLYSC-WDMOLILDSA-N 0 3 266.772 2.203 10 0 CEAEHN CCNCc1cc(CN2C[C@H]3CC[C@@H](C2)O3)c(C)o1 ZINC000090907808 180062022 /nfs/dbraw/zinc/06/20/22/180062022.db2.gz FVHHFZBYCRPTOA-OKILXGFUSA-N 0 3 264.369 2.061 10 0 CEAEHN CCN[C@H](C)c1cnc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090908144 180062067 /nfs/dbraw/zinc/06/20/67/180062067.db2.gz UNAMBXSRYKVIEP-MXWKQRLJSA-N 0 3 267.398 2.181 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H]1CCN(C2CC2)C1 ZINC000090960516 180075400 /nfs/dbraw/zinc/07/54/00/180075400.db2.gz UPZPRFSHBZWMEW-LLVKDONJSA-N 0 3 279.409 2.033 10 0 CEAEHN C[C@@H](NC[C@@H]1Cc2ccccc21)C(=O)N1CCCCC1 ZINC000090992204 180081418 /nfs/dbraw/zinc/08/14/18/180081418.db2.gz AFEHHQCCUZWPHD-HIFRSBDPSA-N 0 3 272.392 2.317 10 0 CEAEHN CCNCc1cccn1CC(=O)Nc1ccccc1 ZINC000090996022 180083333 /nfs/dbraw/zinc/08/33/33/180083333.db2.gz XNETVUALPMJGFU-UHFFFAOYSA-N 0 3 257.337 2.236 10 0 CEAEHN CCn1nc(C)cc1Cn1ccnc1CNCC(C)C ZINC000091002890 180084091 /nfs/dbraw/zinc/08/40/91/180084091.db2.gz JVMDIUMTAIUONM-UHFFFAOYSA-N 0 3 275.400 2.202 10 0 CEAEHN CCn1ccc(CN[C@@H](CC(C)C)C(=O)N(C)C)c1 ZINC000091010316 180086289 /nfs/dbraw/zinc/08/62/89/180086289.db2.gz FHCXJXIXIKFHTE-AWEZNQCLSA-N 0 3 265.401 2.101 10 0 CEAEHN c1ccc2c(c1)C[C@H]2c1noc(C[C@H]2CSCCN2)n1 ZINC000091129162 180101119 /nfs/dbraw/zinc/10/11/19/180101119.db2.gz LKGQHZNBSKPSMO-WCQYABFASA-N 0 3 287.388 2.005 10 0 CEAEHN COc1ccc(-n2ncc(CN)c2C(F)(F)F)cc1 ZINC000091338755 180136418 /nfs/dbraw/zinc/13/64/18/180136418.db2.gz MOWYMNJRMXLNPL-UHFFFAOYSA-N 0 3 271.242 2.358 10 0 CEAEHN COCCNCc1cnn(-c2cc(F)c(F)cc2F)c1C ZINC000091339720 180136500 /nfs/dbraw/zinc/13/65/00/180136500.db2.gz FQXNXFCJSOQZEO-UHFFFAOYSA-N 0 3 299.296 2.334 10 0 CEAEHN COCCNCc1cnn(-c2cc(C)ccn2)c1C(C)C ZINC000091338366 180136679 /nfs/dbraw/zinc/13/66/79/180136679.db2.gz USAMNHNKJIVPTD-UHFFFAOYSA-N 0 3 288.395 2.435 10 0 CEAEHN Cc1cc2nnc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2cn1 ZINC000091355291 180138919 /nfs/dbraw/zinc/13/89/19/180138919.db2.gz TUSIWTVMNQOXJM-AVGNSLFASA-N 0 3 271.368 2.416 10 0 CEAEHN Cc1nn(C)c(SC[C@H](C)CO)c1CNC(C)(C)C ZINC000091259947 180116114 /nfs/dbraw/zinc/11/61/14/180116114.db2.gz GHWVTWMRJKMXAI-SNVBAGLBSA-N 0 3 285.457 2.337 10 0 CEAEHN Cc1nn(C)c(S[C@H](C)CCO)c1CNC(C)C ZINC000091268358 180117197 /nfs/dbraw/zinc/11/71/97/180117197.db2.gz BODBMKFOUQGQSM-SNVBAGLBSA-N 0 3 271.430 2.090 10 0 CEAEHN CC(C)CN1C(=O)CCC[C@@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275609 180119021 /nfs/dbraw/zinc/11/90/21/180119021.db2.gz XVUKBLCNQYDELI-CZUORRHYSA-N 0 3 290.411 2.255 10 0 CEAEHN CC1(C)CCN([C@H](CN)c2cncn2C2CC2)CC1 ZINC000091276522 180119997 /nfs/dbraw/zinc/11/99/97/180119997.db2.gz DVHXWLCBHWSQOC-CYBMUJFWSA-N 0 3 262.401 2.340 10 0 CEAEHN O[C@H](c1cncn1C1CC1)[C@@H]1NCCc2ccccc21 ZINC000091277385 180120061 /nfs/dbraw/zinc/12/00/61/180120061.db2.gz QCUBQQYUUYPSST-HZPDHXFCSA-N 0 3 269.348 2.138 10 0 CEAEHN O[C@H](c1cncn1C1CC1)[C@@H]1NCc2ccccc21 ZINC000091277439 180120405 /nfs/dbraw/zinc/12/04/05/180120405.db2.gz OYVGVQQWKVKDTA-HUUCEWRRSA-N 0 3 255.321 2.096 10 0 CEAEHN CCCC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000091290911 180122921 /nfs/dbraw/zinc/12/29/21/180122921.db2.gz GDMZELYPAMIUTA-CYBMUJFWSA-N 0 3 270.442 2.120 10 0 CEAEHN C[C@H](NC(=O)C[C@@H]1CSCCN1)c1ccsc1 ZINC000091291154 180123267 /nfs/dbraw/zinc/12/32/67/180123267.db2.gz RPWCYJIXAKRKAF-GXSJLCMTSA-N 0 3 270.423 2.020 10 0 CEAEHN CC(C)n1c(C[C@@H]2CNCCO2)nc2ccc(F)cc21 ZINC000091293353 180124125 /nfs/dbraw/zinc/12/41/25/180124125.db2.gz LZKMLLIQBBKTHF-GFCCVEGCSA-N 0 3 277.343 2.287 10 0 CEAEHN c1c2ccccc2oc1-c1noc(C[C@H]2CNCCO2)n1 ZINC000091295114 180124683 /nfs/dbraw/zinc/12/46/83/180124683.db2.gz KCBGVSOBBBPLBB-NSHDSACASA-N 0 3 285.303 2.014 10 0 CEAEHN CC[C@@H](NC1CC(O)C1)c1ccc(OC)c(OC)c1 ZINC000091431103 180153748 /nfs/dbraw/zinc/15/37/48/180153748.db2.gz ZTSGLWWAHWKBAM-WXRRBKDZSA-N 0 3 265.353 2.268 10 0 CEAEHN CNCc1cncc(Oc2ccc3c(c2)CCC3)n1 ZINC000091434811 180154273 /nfs/dbraw/zinc/15/42/73/180154273.db2.gz HVQGNYPXKMIXET-UHFFFAOYSA-N 0 3 255.321 2.477 10 0 CEAEHN CCNCc1cncc(Oc2cccc(OC)c2)n1 ZINC000091434304 180154513 /nfs/dbraw/zinc/15/45/13/180154513.db2.gz WXKDPOWCEBGCPW-UHFFFAOYSA-N 0 3 259.309 2.387 10 0 CEAEHN COC[C@@H](C)NCc1cnc(C)n1-c1ccccc1 ZINC000091437404 180154986 /nfs/dbraw/zinc/15/49/86/180154986.db2.gz PJUXWPHHPNKUFA-GFCCVEGCSA-N 0 3 259.353 2.305 10 0 CEAEHN Cc1cccnc1C[C@H](N)c1cccc2c1OCCO2 ZINC000091383920 180143598 /nfs/dbraw/zinc/14/35/98/180143598.db2.gz MJSDMZWBAYKUPL-ZDUSSCGKSA-N 0 3 270.332 2.404 10 0 CEAEHN CN(C)[C@@H]1CCCN(CC(=O)c2ccc(F)c(F)c2)C1 ZINC000091392379 180144911 /nfs/dbraw/zinc/14/49/11/180144911.db2.gz BRTPUQJPTRYRMY-GFCCVEGCSA-N 0 3 282.334 2.174 10 0 CEAEHN CC(C)NCc1cncc(N(C)[C@H](C)C(C)C)n1 ZINC000091419379 180150945 /nfs/dbraw/zinc/15/09/45/180150945.db2.gz QOLYQFMEUCNUTH-GFCCVEGCSA-N 0 3 250.390 2.455 10 0 CEAEHN CC(C)(C)NCc1cncc(N2CCCSCC2)n1 ZINC000091420982 180150967 /nfs/dbraw/zinc/15/09/67/180150967.db2.gz IZMRVGHMGUFTFC-UHFFFAOYSA-N 0 3 280.441 2.308 10 0 CEAEHN CN[C@H](c1ccc(F)cc1F)C(C)(C)N1CCOCC1 ZINC000091566459 180193988 /nfs/dbraw/zinc/19/39/88/180193988.db2.gz NQOKWWKVWURNEW-CQSZACIVSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCN[C@@H](c1ccoc1)C(C)(C)N1CCOCC1 ZINC000091567188 180194819 /nfs/dbraw/zinc/19/48/19/180194819.db2.gz DPPJAJSXIZRRLH-AWEZNQCLSA-N 0 3 266.385 2.431 10 0 CEAEHN CC(C)(C(=O)Cc1cccnc1N)N1CCCCCC1 ZINC000091567369 180194917 /nfs/dbraw/zinc/19/49/17/180194917.db2.gz UPVWTBOVBYMCDI-UHFFFAOYSA-N 0 3 275.396 2.430 10 0 CEAEHN CCN[C@H](c1ccoc1)[C@@](C)(CC)N1CCOCC1 ZINC000091612982 180207398 /nfs/dbraw/zinc/20/73/98/180207398.db2.gz NMIIJGGWIZPIEL-HUUCEWRRSA-N 0 3 266.385 2.431 10 0 CEAEHN CCCN[C@H](c1cnccn1)[C@@](C)(CC)N1CCOCC1 ZINC000091613098 180207867 /nfs/dbraw/zinc/20/78/67/180207867.db2.gz IEUSQAMPKPUTIC-HZPDHXFCSA-N 0 3 292.427 2.018 10 0 CEAEHN COc1ccc([C@@H](C)NCC2CC(O)C2)c(OC)c1 ZINC000091524946 180178703 /nfs/dbraw/zinc/17/87/03/180178703.db2.gz JVRGOYTVJMYMMC-VOMCLLRMSA-N 0 3 265.353 2.125 10 0 CEAEHN CSc1cc2c(cc1CNCC1CC(O)C1)OCCO2 ZINC000091525559 180179031 /nfs/dbraw/zinc/17/90/31/180179031.db2.gz XJJXIGCIEKJLQI-UHFFFAOYSA-N 0 3 295.404 2.040 10 0 CEAEHN CCCn1ccnc1[C@H](N)C(C)(C)N1CCCC1 ZINC000091534135 180181685 /nfs/dbraw/zinc/18/16/85/180181685.db2.gz MKEJGTXOMSLGAX-LBPRGKRZSA-N 0 3 250.390 2.167 10 0 CEAEHN CCn1ccnc1[C@H](NC)C(C)(C)N1CCCC1 ZINC000091534800 180182478 /nfs/dbraw/zinc/18/24/78/180182478.db2.gz IDOZPOAAJKZCFN-LBPRGKRZSA-N 0 3 250.390 2.038 10 0 CEAEHN Cc1nc(CC(=O)C2(N(C)C)CCCC2)cs1 ZINC000091635935 180210772 /nfs/dbraw/zinc/21/07/72/180210772.db2.gz GPJQFEJHQWLMHU-UHFFFAOYSA-N 0 3 252.383 2.438 10 0 CEAEHN O[C@H](CC1CCC1)C1(N2CCOCC2)CCCC1 ZINC000091642746 180214072 /nfs/dbraw/zinc/21/40/72/180214072.db2.gz SWBQAOXIYCFKFZ-CQSZACIVSA-N 0 3 253.386 2.183 10 0 CEAEHN Cc1nc(Cl)c(NC[C@H]2CN3CCC[C@@H]3CO2)nc1C ZINC000091677127 180225434 /nfs/dbraw/zinc/22/54/34/180225434.db2.gz ZSLDFUXCBGABPK-NEPJUHHUSA-N 0 3 296.802 2.022 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1ccccc1OC(F)F ZINC000624235368 350239120 /nfs/dbraw/zinc/23/91/20/350239120.db2.gz JEKUVBWIWVQAFQ-ZMLRMANQSA-N 0 3 287.306 2.088 10 0 CEAEHN CN[C@H](c1cccc(Cl)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721195 180238479 /nfs/dbraw/zinc/23/84/79/180238479.db2.gz SWSXVHLDMKGAAJ-RBSFLKMASA-N 0 3 280.799 2.464 10 0 CEAEHN CN[C@H](c1ccc(Cl)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721455 180238939 /nfs/dbraw/zinc/23/89/39/180238939.db2.gz GNROODLLUNULMO-RBSFLKMASA-N 0 3 280.799 2.464 10 0 CEAEHN N[C@@H]1CCCc2nc([C@H]3CN4CCC[C@@H]4CO3)sc21 ZINC000091722451 180239886 /nfs/dbraw/zinc/23/98/86/180239886.db2.gz WLGYZKBEYYDTNR-CKYFFXLPSA-N 0 3 279.409 2.015 10 0 CEAEHN Cc1cc2ncc([C@H](C)N[C@H](C)[C@@H](C)CO)c(C)n2n1 ZINC000091727248 180243319 /nfs/dbraw/zinc/24/33/19/180243319.db2.gz YFDFHLGZMVYRMO-WCQGTBRESA-N 0 3 276.384 2.014 10 0 CEAEHN CC1CCN(C(=O)N[C@H](CN)c2ccccc2)CC1 ZINC000091972834 180296277 /nfs/dbraw/zinc/29/62/77/180296277.db2.gz LWFSUJYTXIBOQA-CQSZACIVSA-N 0 3 261.369 2.128 10 0 CEAEHN CC1CCN(C(=O)NCc2ccccc2CN)CC1 ZINC000091990852 180299748 /nfs/dbraw/zinc/29/97/48/180299748.db2.gz HOISFUKFJZJADC-UHFFFAOYSA-N 0 3 261.369 2.087 10 0 CEAEHN CNCc1nc(C)ccc1OC[C@@H]1CCCCO1 ZINC000091994184 180301267 /nfs/dbraw/zinc/30/12/67/180301267.db2.gz RWEYXAJDRHRVKX-LBPRGKRZSA-N 0 3 250.342 2.057 10 0 CEAEHN COC(=O)[C@H](C)Oc1ccc(C)nc1CNCC(C)C ZINC000091996432 180302128 /nfs/dbraw/zinc/30/21/28/180302128.db2.gz IWHGJLIALNHJQM-LBPRGKRZSA-N 0 3 280.368 2.076 10 0 CEAEHN COCCOc1ccc(C)nc1CNC(C)(C)C ZINC000091996067 180302458 /nfs/dbraw/zinc/30/24/58/180302458.db2.gz JHGMKBUPEUKCNQ-UHFFFAOYSA-N 0 3 252.358 2.303 10 0 CEAEHN CC[NH2+]Cc1ccc(S(=O)(=O)[N-]C(C)(C)C)c(F)c1 ZINC000092115773 180327058 /nfs/dbraw/zinc/32/70/58/180327058.db2.gz ITTVDHNJHFFMIK-UHFFFAOYSA-N 0 3 288.388 2.012 10 0 CEAEHN Cc1cc(CN)cc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1C ZINC000092113696 180327346 /nfs/dbraw/zinc/32/73/46/180327346.db2.gz NRAXSONTJQBYGZ-VXGBXAGGSA-N 0 3 296.436 2.039 10 0 CEAEHN CCNCc1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092113833 180327398 /nfs/dbraw/zinc/32/73/98/180327398.db2.gz CAFQABJASCHKQE-CHWSQXEVSA-N 0 3 296.436 2.073 10 0 CEAEHN Cc1ccc(NC(=O)CN2C[C@H](C)[C@H](C)C2)cc1N ZINC000092081430 180319245 /nfs/dbraw/zinc/31/92/45/180319245.db2.gz GJZMBELFJYJYAW-TXEJJXNPSA-N 0 3 261.369 2.104 10 0 CEAEHN Cc1c(N)cccc1NC(=O)CN1C[C@@H](C)[C@H](C)C1 ZINC000092081633 180319403 /nfs/dbraw/zinc/31/94/03/180319403.db2.gz OHZVYIIPYDRIRG-GHMZBOCLSA-N 0 3 261.369 2.104 10 0 CEAEHN CCOC(=O)C1CCN(C[C@@H]2COc3ccccc32)CC1 ZINC000092305653 180360354 /nfs/dbraw/zinc/36/03/54/180360354.db2.gz TWOBLDBMODBDRE-CQSZACIVSA-N 0 3 289.375 2.438 10 0 CEAEHN CCN(CCC(=O)OC)C[C@H]1COc2ccccc21 ZINC000092305668 180360041 /nfs/dbraw/zinc/36/00/41/180360041.db2.gz IJUFDUXNEMUTKW-LBPRGKRZSA-N 0 3 263.337 2.048 10 0 CEAEHN CN(c1cccnn1)C1CCN(CCc2ccccn2)CC1 ZINC000105910337 186089257 /nfs/dbraw/zinc/08/92/57/186089257.db2.gz SOHDHPYBBHMRBK-UHFFFAOYSA-N 0 3 297.406 2.015 10 0 CEAEHN C[C@@H](c1cc(F)ccc1F)N1CCO[C@H](CN(C)C)C1 ZINC000105924246 186091312 /nfs/dbraw/zinc/09/13/12/186091312.db2.gz FTHQZZSUGYBBLQ-WCQYABFASA-N 0 3 284.350 2.288 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2ccc(Cl)cc2)C[C@H]1C ZINC000106101164 186101843 /nfs/dbraw/zinc/10/18/43/186101843.db2.gz QDJBDZZWLLFQBJ-CHWSQXEVSA-N 0 3 282.815 2.227 10 0 CEAEHN CC[C@H]1CN(Cc2ccccc2F)CCN1CCOC ZINC000106113392 186102698 /nfs/dbraw/zinc/10/26/98/186102698.db2.gz TTYZOLWKKXVPJI-HNNXBMFYSA-N 0 3 280.387 2.368 10 0 CEAEHN CCNc1cccc(CN2CCCC[C@@H]2CCO)n1 ZINC000092368054 180370060 /nfs/dbraw/zinc/37/00/60/180370060.db2.gz REYUIJCGPGFNQD-CQSZACIVSA-N 0 3 263.385 2.250 10 0 CEAEHN CC(C)[C@H](CO)NCc1cc2c(c(Cl)c1)OCO2 ZINC000092392137 180376161 /nfs/dbraw/zinc/37/61/61/180376161.db2.gz NUUGVLWDVIQZPO-NSHDSACASA-N 0 3 271.744 2.175 10 0 CEAEHN CCOCCO[C@H]1CCc2ccc(OC)cc2[C@H]1NC ZINC000092386391 180373570 /nfs/dbraw/zinc/37/35/70/180373570.db2.gz AZVXEAARFGCLPV-JKSUJKDBSA-N 0 3 279.380 2.324 10 0 CEAEHN CCN[C@@H]1c2cc(OC)ccc2CC[C@H]1OCCOC ZINC000092386362 180373667 /nfs/dbraw/zinc/37/36/67/180373667.db2.gz KRIPJHZQNUWLAB-HZPDHXFCSA-N 0 3 279.380 2.324 10 0 CEAEHN O=C(CCN1[C@@H]2CC[C@H]1CC(O)C2)c1ccccc1 ZINC000107928023 186198531 /nfs/dbraw/zinc/19/85/31/186198531.db2.gz LZFLLQUFZMEWBQ-YIONKMFJSA-N 0 3 259.349 2.247 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)c1cccc(O)c1)N(C)C ZINC000130625486 365975485 /nfs/dbraw/zinc/97/54/85/365975485.db2.gz USSXRKLKHRPWKJ-SMDDNHRTSA-N 0 3 264.369 2.300 10 0 CEAEHN COC[C@H](N)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000109506081 186257830 /nfs/dbraw/zinc/25/78/30/186257830.db2.gz BZLZFTZKOOCTQP-CYBMUJFWSA-N 0 3 275.352 2.376 10 0 CEAEHN CCN[C@H](COC)Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC000109520633 186258767 /nfs/dbraw/zinc/25/87/67/186258767.db2.gz LVXWEEUFNDSWEU-LBPRGKRZSA-N 0 3 297.305 2.182 10 0 CEAEHN CCN[C@@H](COC)Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC000109520637 186259208 /nfs/dbraw/zinc/25/92/08/186259208.db2.gz LVXWEEUFNDSWEU-GFCCVEGCSA-N 0 3 297.305 2.182 10 0 CEAEHN CC[C@@H](C)N1CCN(c2cc(OC)c(F)cc2N)CC1 ZINC000110627826 186306336 /nfs/dbraw/zinc/30/63/36/186306336.db2.gz IPCYBPBQAYTWRC-LLVKDONJSA-N 0 3 281.375 2.337 10 0 CEAEHN CCOc1cc(N[C@H]2CN3CCC2CC3)c(N)cc1F ZINC000110632531 186307240 /nfs/dbraw/zinc/30/72/40/186307240.db2.gz VEMDZYHREXBLOT-AWEZNQCLSA-N 0 3 279.359 2.313 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@H]1CCCC[C@H]1O ZINC000110630115 186307306 /nfs/dbraw/zinc/30/73/06/186307306.db2.gz OZTGHTJSKGNJFQ-CMPLNLGQSA-N 0 3 279.315 2.242 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@H]1CCCOC1 ZINC000110630236 186307746 /nfs/dbraw/zinc/30/77/46/186307746.db2.gz AHIZTAFKKMBIGE-QMMMGPOBSA-N 0 3 265.288 2.118 10 0 CEAEHN CNCc1nc(CN2CCC[C@H](C)CC2)cs1 ZINC000110812503 186326484 /nfs/dbraw/zinc/32/64/84/186326484.db2.gz NPYWQHBOZYNZKK-NSHDSACASA-N 0 3 253.415 2.485 10 0 CEAEHN C[C@H]1CCCN(c2nc3sccn3c2CN)CC1 ZINC000110807536 186326783 /nfs/dbraw/zinc/32/67/83/186326783.db2.gz RGMSDQZKWXTTBG-JTQLQIEISA-N 0 3 264.398 2.481 10 0 CEAEHN CN(CC1CCCC1)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000110848105 186329762 /nfs/dbraw/zinc/32/97/62/186329762.db2.gz KEDVMQLLNQJXBO-UHFFFAOYSA-N 0 3 282.775 2.283 10 0 CEAEHN CCc1ccc(S(=O)(=O)N(CC)[C@H]2CCCNC2)cc1 ZINC000110941790 186334625 /nfs/dbraw/zinc/33/46/25/186334625.db2.gz GBHYAOXTEFNIDG-AWEZNQCLSA-N 0 3 296.436 2.012 10 0 CEAEHN CCN(CCOC)[C@H](CN)c1ccc(C)c(F)c1 ZINC000110977467 186338968 /nfs/dbraw/zinc/33/89/68/186338968.db2.gz OMNPIWTYFBVJII-CQSZACIVSA-N 0 3 254.349 2.102 10 0 CEAEHN Cc1ccc([C@@H](CN)N2CCOCC2(C)C)cc1F ZINC000110977365 186339006 /nfs/dbraw/zinc/33/90/06/186339006.db2.gz XGEAAKMORMGICO-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN CC[C@@H](N)[C@H](c1sccc1C)N1CCNC(=O)C1(C)C ZINC000110653813 186311470 /nfs/dbraw/zinc/31/14/70/186311470.db2.gz HGAUECIIQCTLQU-VXGBXAGGSA-N 0 3 295.452 2.045 10 0 CEAEHN CC[C@H]1CN(C[C@@H]2CCCCCC2=O)CCN1C ZINC000110743978 186319232 /nfs/dbraw/zinc/31/92/32/186319232.db2.gz UADGDJUYZNIHGC-KBPBESRZSA-N 0 3 252.402 2.162 10 0 CEAEHN C[C@H]1CN(Cc2cc(CNC(C)(C)C)co2)CCN1C ZINC000110751129 186319848 /nfs/dbraw/zinc/31/98/48/186319848.db2.gz NCQJPIMUXUHREL-ZDUSSCGKSA-N 0 3 279.428 2.304 10 0 CEAEHN C[C@H]1CN(CCNc2ccccc2Cl)CCN1C ZINC000110756463 186321580 /nfs/dbraw/zinc/32/15/80/186321580.db2.gz VRTRYQKSILFCIO-LBPRGKRZSA-N 0 3 267.804 2.388 10 0 CEAEHN O=C1CC[C@@H](N[C@@H]2CCSc3c(F)cccc32)CN1 ZINC000111018064 186343764 /nfs/dbraw/zinc/34/37/64/186343764.db2.gz UPJFBHJUABMAQM-BXKDBHETSA-N 0 3 280.368 2.231 10 0 CEAEHN NCc1cc(F)ccc1N[C@H](CO)Cc1ccccc1 ZINC000111028373 186346078 /nfs/dbraw/zinc/34/60/78/186346078.db2.gz XSUAHPVMMFGWKV-HNNXBMFYSA-N 0 3 274.339 2.300 10 0 CEAEHN COCCN([C@@H](CN)c1cccc(F)c1F)C1CC1 ZINC000111039634 186346861 /nfs/dbraw/zinc/34/68/61/186346861.db2.gz CIKSFADIJPDRSY-ZDUSSCGKSA-N 0 3 270.323 2.075 10 0 CEAEHN CCCOCCO[C@@H](CN)c1ccccc1OC ZINC000111105586 186352615 /nfs/dbraw/zinc/35/26/15/186352615.db2.gz CZUZCLIUXRYDOM-AWEZNQCLSA-N 0 3 253.342 2.138 10 0 CEAEHN CCOCCN(CC)c1nc(C)cc(C)c1CNC ZINC000111123549 186355063 /nfs/dbraw/zinc/35/50/63/186355063.db2.gz NRGUXZHERKFJMA-UHFFFAOYSA-N 0 3 265.401 2.281 10 0 CEAEHN CN(C)CCN(C)C1N=NC(=S)N1C1CCCCC1 ZINC000111141284 186358118 /nfs/dbraw/zinc/35/81/18/186358118.db2.gz VEPSNCVDQNWJDY-UHFFFAOYSA-N 0 3 283.445 2.070 10 0 CEAEHN Cc1cc(C)c([C@@H](O)CN(C)CCN(C)C)c(C)c1 ZINC000111143427 186359015 /nfs/dbraw/zinc/35/90/15/186359015.db2.gz YEENIKOLAIKSRF-HNNXBMFYSA-N 0 3 264.413 2.139 10 0 CEAEHN CCNc1ncccc1CN(C)C[C@H]1CCCOC1 ZINC000111170713 186364861 /nfs/dbraw/zinc/36/48/61/186364861.db2.gz FOLJUZDJWLMWBG-CYBMUJFWSA-N 0 3 263.385 2.372 10 0 CEAEHN N[C@H](CNC(=O)c1ccc2c(c1)COC2)c1ccccc1 ZINC000111306373 186394477 /nfs/dbraw/zinc/39/44/77/186394477.db2.gz JKXPOPPHGZZCCZ-MRXNPFEDSA-N 0 3 282.343 2.147 10 0 CEAEHN CCC(CC)N1C(=O)C[C@H](NCC2(C)CCCC2)C1=O ZINC000111620535 186432515 /nfs/dbraw/zinc/43/25/15/186432515.db2.gz XSUTVIUTIVMMJP-ZDUSSCGKSA-N 0 3 280.412 2.472 10 0 CEAEHN CCC[C@@H](C(=O)N(CC)CCc1nccs1)N(C)C ZINC000122232077 187021767 /nfs/dbraw/zinc/02/17/67/187021767.db2.gz SMYMJUTXWNVKKC-LBPRGKRZSA-N 0 3 283.441 2.264 10 0 CEAEHN Cc1cnn(C[C@H]2CN(C[C@H]3CC=CCC3)CCO2)c1 ZINC000122366035 187028843 /nfs/dbraw/zinc/02/88/43/187028843.db2.gz ZORPBPIWIGLWOM-JKSUJKDBSA-N 0 3 275.396 2.249 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1cc(F)ccc1F)N1CCOCC1 ZINC000123258273 187080841 /nfs/dbraw/zinc/08/08/41/187080841.db2.gz MJVHUJKKLUABGD-RYUDHWBXSA-N 0 3 284.350 2.336 10 0 CEAEHN COc1ccccc1[C@@H](C)NC[C@H](C)N1CCOCC1 ZINC000123340472 187086096 /nfs/dbraw/zinc/08/60/96/187086096.db2.gz VFTDWFUKBACKIZ-UONOGXRCSA-N 0 3 278.396 2.067 10 0 CEAEHN CC[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000123415695 187090500 /nfs/dbraw/zinc/09/05/00/187090500.db2.gz CEBNYHYLEXWSDP-GJZGRUSLSA-N 0 3 278.371 2.482 10 0 CEAEHN CC(C)n1ncnc1CNC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000631126292 351977241 /nfs/dbraw/zinc/97/72/41/351977241.db2.gz IIJAOPXAWFHJBD-CLLJXQQHSA-N 0 3 266.389 2.152 10 0 CEAEHN C[C@H](N)c1nc(-c2ccc(Br)s2)n[nH]1 ZINC000070598069 363100442 /nfs/dbraw/zinc/10/04/42/363100442.db2.gz XEFPNIXIOJUDJZ-BYPYZUCNSA-N 0 3 273.159 2.315 10 0 CEAEHN N[C@@H](CO)c1cc(C(F)(F)F)ccc1Br ZINC000072199641 363121286 /nfs/dbraw/zinc/12/12/86/363121286.db2.gz QLKALAKJZYWCAZ-QMMMGPOBSA-N 0 3 284.075 2.460 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1cc(C)no1 ZINC000252693663 539893332 /nfs/dbraw/zinc/89/33/32/539893332.db2.gz PDECIHNETMOXCZ-KBPBESRZSA-N 0 3 263.385 2.432 10 0 CEAEHN CCC[C@H](C(=O)NCCc1ccc(Cl)nc1)N(C)C ZINC000154836462 188164651 /nfs/dbraw/zinc/16/46/51/188164651.db2.gz ATOFSJMVAVPZLG-GFCCVEGCSA-N 0 3 283.803 2.124 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000155671931 188220054 /nfs/dbraw/zinc/22/00/54/188220054.db2.gz XSFLCQPBCQGGHZ-JQWIXIFHSA-N 0 3 250.342 2.047 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC000155509735 188211289 /nfs/dbraw/zinc/21/12/89/188211289.db2.gz VCFHOTXWSDIUCA-MFKMUULPSA-N 0 3 282.334 2.423 10 0 CEAEHN CCc1nc(CC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cs1 ZINC000155719248 188222709 /nfs/dbraw/zinc/22/27/09/188222709.db2.gz HPAXGHAMFKIUQV-AAEUAGOBSA-N 0 3 295.452 2.093 10 0 CEAEHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000158192026 188362551 /nfs/dbraw/zinc/36/25/51/188362551.db2.gz GYRPRMZYSSMHPG-CQSZACIVSA-N 0 3 291.395 2.102 10 0 CEAEHN C[C@H](N)c1ccc(Br)cc1OCCCO ZINC000132050481 366113075 /nfs/dbraw/zinc/11/30/75/366113075.db2.gz BSLSIYITSJPYPE-QMMMGPOBSA-N 0 3 274.158 2.230 10 0 CEAEHN Cc1occc1CN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000132507375 366149418 /nfs/dbraw/zinc/14/94/18/366149418.db2.gz WIQXFFXOFNXNAQ-SWLSCSKDSA-N 0 3 293.411 2.458 10 0 CEAEHN Cc1cccc2c(CC(=O)N3CC[C@H](N(C)C)C3)c[nH]c21 ZINC000132778058 366170914 /nfs/dbraw/zinc/17/09/14/366170914.db2.gz XWODJMCQGREXFE-AWEZNQCLSA-N 0 3 285.391 2.181 10 0 CEAEHN Cc1cc(Cl)ncc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000133068833 366193027 /nfs/dbraw/zinc/19/30/27/366193027.db2.gz UYRVKLRJOWUANL-SNVBAGLBSA-N 0 3 282.775 2.211 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2nccs2)=C[C@H](N)C1 ZINC000675079474 540119507 /nfs/dbraw/zinc/11/95/07/540119507.db2.gz ZLDBMUWOCWCXMS-JTQLQIEISA-N 0 3 281.381 2.105 10 0 CEAEHN Cc1c(Br)cncc1-c1cnn2c1CNCC2 ZINC000675075591 540117191 /nfs/dbraw/zinc/11/71/91/540117191.db2.gz BYGODSSPHBFICI-UHFFFAOYSA-N 0 3 293.168 2.119 10 0 CEAEHN NCC1(c2cc(Cl)cc(Cl)c2F)OCCO1 ZINC000575497795 366291889 /nfs/dbraw/zinc/29/18/89/366291889.db2.gz LRYXTMRVIKRHIW-UHFFFAOYSA-N 0 3 266.099 2.291 10 0 CEAEHN CO[C@H]1CCCN(C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000076343437 363538694 /nfs/dbraw/zinc/53/86/94/363538694.db2.gz RWKWBVYSVUMYIP-HOTGVXAUSA-N 0 3 293.407 2.154 10 0 CEAEHN O[C@H]1CCC[C@H](CN2CCOCC23CCCC3)C1 ZINC000388534046 540327843 /nfs/dbraw/zinc/32/78/43/540327843.db2.gz MLJDURPLNOXZCU-KBPBESRZSA-N 0 3 253.386 2.183 10 0 CEAEHN Cc1ccc([C@@H](C)NC2CCN(C(=O)N(C)C)CC2)o1 ZINC000135359594 366432338 /nfs/dbraw/zinc/43/23/38/366432338.db2.gz WIWGWODQJXDEEH-GFCCVEGCSA-N 0 3 279.384 2.385 10 0 CEAEHN COc1ccc(OC)c(CN[C@H]2CCCCC[C@@H]2O)c1 ZINC000135658525 366465271 /nfs/dbraw/zinc/46/52/71/366465271.db2.gz AQQCCMCTTGJTDP-GJZGRUSLSA-N 0 3 279.380 2.487 10 0 CEAEHN CCNC(=O)CCN[C@@H](C)c1ccccc1OCC ZINC000135715472 366470179 /nfs/dbraw/zinc/47/01/79/366470179.db2.gz FXYIRGKSHKMMOK-LBPRGKRZSA-N 0 3 264.369 2.262 10 0 CEAEHN COc1c(CNCC2C[C@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000341478062 215983438 /nfs/dbraw/zinc/98/34/38/215983438.db2.gz ZOUYYHZLRKKKFA-QWRGUYRKSA-N 0 3 281.400 2.030 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1ccoc1C)N(C)C ZINC000138296599 366552129 /nfs/dbraw/zinc/55/21/29/366552129.db2.gz KMMMXGMEOYCYQT-ZDUSSCGKSA-N 0 3 252.358 2.277 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H](N)c1cccc(F)c1 ZINC000147331582 366575437 /nfs/dbraw/zinc/57/54/37/366575437.db2.gz QFUQQBUPPLTVQF-NSHDSACASA-N 0 3 254.305 2.350 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC000177040042 189023363 /nfs/dbraw/zinc/02/33/63/189023363.db2.gz CFBGYTUSQOZXTI-CQSZACIVSA-N 0 3 292.427 2.194 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccsc1 ZINC000177366800 189046407 /nfs/dbraw/zinc/04/64/07/189046407.db2.gz UFYAENSJFRPWQU-ZDUSSCGKSA-N 0 3 281.425 2.374 10 0 CEAEHN O=C(N1CCN2CCC[C@@H]2C1)C1(Cc2ccccc2)CC1 ZINC000177473073 189053417 /nfs/dbraw/zinc/05/34/17/189053417.db2.gz DVEFBHYGOSIFFK-MRXNPFEDSA-N 0 3 284.403 2.316 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)COCc1ccccc1)N(C)C ZINC000179468273 189196447 /nfs/dbraw/zinc/19/64/47/189196447.db2.gz FFVCULVUHKVJLN-GOEBONIOSA-N 0 3 292.423 2.438 10 0 CEAEHN CC(C)C[C@H](N[C@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180597792 189264937 /nfs/dbraw/zinc/26/49/37/189264937.db2.gz QDYPTZIXCHKATH-ZFWWWQNUSA-N 0 3 285.395 2.365 10 0 CEAEHN C[C@H](NC[C@@H](O)Cn1cccn1)c1ccc(F)c(Cl)c1 ZINC000180738239 189272496 /nfs/dbraw/zinc/27/24/96/189272496.db2.gz FRHKMKXILJCGBG-CMPLNLGQSA-N 0 3 297.761 2.387 10 0 CEAEHN CO[C@H](C)CCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000180852955 189280219 /nfs/dbraw/zinc/28/02/19/189280219.db2.gz UFEJZJZPYVRDFM-UKRRQHHQSA-N 0 3 278.396 2.221 10 0 CEAEHN COc1cc([C@@H](C)N)c(OC)cc1Br ZINC000003705591 361288664 /nfs/dbraw/zinc/28/86/64/361288664.db2.gz JKOMOTQHGDWZAQ-ZCFIWIBFSA-N 0 3 260.131 2.486 10 0 CEAEHN Cc1nscc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000181065597 189287649 /nfs/dbraw/zinc/28/76/49/189287649.db2.gz ZVESPMNDRVSODB-AWEZNQCLSA-N 0 3 289.404 2.484 10 0 CEAEHN CCc1ccnc(C(=O)N(C)C[C@@H]2CCCN2CC)c1 ZINC000181914440 189309595 /nfs/dbraw/zinc/30/95/95/189309595.db2.gz WDVVHQOTYMBWCQ-AWEZNQCLSA-N 0 3 275.396 2.200 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1nnsc1Cl ZINC000083704509 363785339 /nfs/dbraw/zinc/78/53/39/363785339.db2.gz NETDVKBSWXVLAA-NXEZZACHSA-N 0 3 286.832 2.250 10 0 CEAEHN CC[C@@H](O)CN1CCN(CCCc2cccc(F)c2)CC1 ZINC000182814113 189336132 /nfs/dbraw/zinc/33/61/32/189336132.db2.gz NVBASRIKAJYZEB-QGZVFWFLSA-N 0 3 294.414 2.147 10 0 CEAEHN C[C@H](NC[C@H](O)CN1CCCCC1)c1cccc(F)c1F ZINC000183232433 189351396 /nfs/dbraw/zinc/35/13/96/189351396.db2.gz RSJABOUEVWIIOV-STQMWFEESA-N 0 3 298.377 2.462 10 0 CEAEHN OC[C@H]1CCCN1C[C@@H]1CCCN1c1ncccc1Cl ZINC000301699107 201145872 /nfs/dbraw/zinc/14/58/72/201145872.db2.gz COYIGZOJGQRFKT-QWHCGFSZSA-N 0 3 295.814 2.161 10 0 CEAEHN OC[C@@H]1CCCN1C[C@H]1CCCN1c1ncccc1Cl ZINC000301699106 201147244 /nfs/dbraw/zinc/14/72/44/201147244.db2.gz COYIGZOJGQRFKT-OLZOCXBDSA-N 0 3 295.814 2.161 10 0 CEAEHN CCc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1 ZINC000013806644 361442238 /nfs/dbraw/zinc/44/22/38/361442238.db2.gz PVNKREHVUHDWNO-HUUCEWRRSA-N 0 3 261.365 2.457 10 0 CEAEHN CCOc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000027932463 361663218 /nfs/dbraw/zinc/66/32/18/361663218.db2.gz GVFKIXALQKQEMM-CQSZACIVSA-N 0 3 274.364 2.006 10 0 CEAEHN CCSc1cccc(CN[C@H]2CCc3ncnn3C2)c1 ZINC000185523093 189415797 /nfs/dbraw/zinc/41/57/97/189415797.db2.gz JXPXNCLLXJTBEA-ZDUSSCGKSA-N 0 3 288.420 2.495 10 0 CEAEHN CCn1nc(CNC[C@H]2CCC[C@H]2O)c2ccccc21 ZINC000089174585 363945928 /nfs/dbraw/zinc/94/59/28/363945928.db2.gz FZGZENJQBVIDHB-MLGOLLRUSA-N 0 3 273.380 2.307 10 0 CEAEHN Nc1cccc2c1c(Cl)nn2CCN1CCCC1 ZINC000089196350 363947888 /nfs/dbraw/zinc/94/78/88/363947888.db2.gz KYAMAASWVYMCOD-UHFFFAOYSA-N 0 3 264.760 2.368 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC[C@H](C)[S@](C)=O)c1C ZINC000090513779 364060595 /nfs/dbraw/zinc/06/05/95/364060595.db2.gz FSEUBENAXBVQPO-ZHYXMNDGSA-N 0 3 285.457 2.328 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)nc1 ZINC000092627404 364090072 /nfs/dbraw/zinc/09/00/72/364090072.db2.gz RRJMRJPSJMAURC-GFCCVEGCSA-N 0 3 281.787 2.291 10 0 CEAEHN CCc1ccc([O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000094139730 364253584 /nfs/dbraw/zinc/25/35/84/364253584.db2.gz CZJLZEXCUXBXAI-GXTWGEPZSA-N 0 3 288.391 2.263 10 0 CEAEHN CCc1ccc([O-])c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000094139730 364253589 /nfs/dbraw/zinc/25/35/89/364253589.db2.gz CZJLZEXCUXBXAI-GXTWGEPZSA-N 0 3 288.391 2.263 10 0 CEAEHN NCc1c(Cl)cccc1I ZINC000098096516 364531257 /nfs/dbraw/zinc/53/12/57/364531257.db2.gz YNIBAKRJOUNDQQ-UHFFFAOYSA-N 0 3 267.497 2.403 10 0 CEAEHN CCc1nc([C@@H](C)NC(=O)N2CC[C@H](N(C)C)C2)cs1 ZINC000111895103 364767188 /nfs/dbraw/zinc/76/71/88/364767188.db2.gz GYUUVEVKFBVMJN-MNOVXSKESA-N 0 3 296.440 2.112 10 0 CEAEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccccc1Cl ZINC000112453308 364809718 /nfs/dbraw/zinc/80/97/18/364809718.db2.gz QXSZWEBTMPZUDY-NEPJUHHUSA-N 0 3 268.788 2.321 10 0 CEAEHN COCc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000113225356 364877226 /nfs/dbraw/zinc/87/72/26/364877226.db2.gz IMJQLZYJNOPJKX-XJKSGUPXSA-N 0 3 288.391 2.142 10 0 CEAEHN COc1ccc(F)cc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113227690 364877355 /nfs/dbraw/zinc/87/73/55/364877355.db2.gz MTPUPPDFWUWQEP-WCQYABFASA-N 0 3 292.354 2.143 10 0 CEAEHN CCCCCC[C@@H](C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117024015 365089782 /nfs/dbraw/zinc/08/97/82/365089782.db2.gz RLRLFSHNHFRUKI-CABCVRRESA-N 0 3 299.459 2.317 10 0 CEAEHN CCCC[C@H](CC)CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117261647 365099835 /nfs/dbraw/zinc/09/98/35/365099835.db2.gz AWHVLVRURNOHBJ-LSDHHAIUSA-N 0 3 284.444 2.382 10 0 CEAEHN C[C@@H](CN1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000116878951 365077337 /nfs/dbraw/zinc/07/73/37/365077337.db2.gz UKYCYRTUDCTWPL-GOEBONIOSA-N 0 3 262.397 2.053 10 0 CEAEHN c1ncn([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000119512146 365283969 /nfs/dbraw/zinc/28/39/69/365283969.db2.gz ROIJILKCCZKHQJ-INIZCTEOSA-N 0 3 296.374 2.391 10 0 CEAEHN Cc1ccc(CN(C)[C@H]2CCCN(c3cccnn3)C2)o1 ZINC000120189538 365387425 /nfs/dbraw/zinc/38/74/25/365387425.db2.gz DFQZNQXTHSENTE-AWEZNQCLSA-N 0 3 286.379 2.479 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)c(C)c2)CCN1C[C@@H](C)O ZINC000120718340 365463829 /nfs/dbraw/zinc/46/38/29/365463829.db2.gz MKIMFKJSTJGCOV-ZBFHGGJFSA-N 0 3 294.414 2.411 10 0 CEAEHN CCCCSCCC(=O)N1CC[C@H](N(C)C)C1 ZINC000121078003 365520779 /nfs/dbraw/zinc/52/07/79/365520779.db2.gz WVTUGSQBPVXBOU-LBPRGKRZSA-N 0 3 258.431 2.072 10 0 CEAEHN c1cn(-c2ccccc2)c([C@H]2OCC[C@@H]2N[C@H]2CCOC2)n1 ZINC000583616525 367073039 /nfs/dbraw/zinc/07/30/39/367073039.db2.gz HTSWARQJQUETIT-BPUTZDHNSA-N 0 3 299.374 2.081 10 0 CEAEHN CCC[C@H](C(=O)N1CCC(OCC(C)C)CC1)N(C)C ZINC000161799955 367113585 /nfs/dbraw/zinc/11/35/85/367113585.db2.gz RSFSRVGZTKYQCK-OAHLLOKOSA-N 0 3 284.444 2.380 10 0 CEAEHN Cc1ccc2cc(C(=O)N3CC[C@@H](N(C)C)C3)ccc2n1 ZINC000161573034 367098107 /nfs/dbraw/zinc/09/81/07/367098107.db2.gz ZBQRCAMBUUUQST-OAHLLOKOSA-N 0 3 283.375 2.319 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc(OC(C)C)nc1)N(C)C ZINC000161610518 367100977 /nfs/dbraw/zinc/10/09/77/367100977.db2.gz CBOZTFIEFPOQTE-CQSZACIVSA-N 0 3 293.411 2.215 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)N(C)C ZINC000162353626 367154774 /nfs/dbraw/zinc/15/47/74/367154774.db2.gz YRVKFZDSXJKIAT-QWRGUYRKSA-N 0 3 296.415 2.275 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C(=O)OC)c1ccccc1 ZINC000245474056 370826725 /nfs/dbraw/zinc/82/67/25/370826725.db2.gz QMGVLZQJJYUDNQ-HZPDHXFCSA-N 0 3 290.407 2.317 10 0 CEAEHN Cc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1C ZINC000171068093 367469799 /nfs/dbraw/zinc/46/97/99/367469799.db2.gz RNLZDGMJOIYHPU-CQSZACIVSA-N 0 3 261.369 2.471 10 0 CEAEHN CCOCc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000171084034 367474469 /nfs/dbraw/zinc/47/44/69/367474469.db2.gz AUBPLPPPXFRCJC-OAHLLOKOSA-N 0 3 291.395 2.391 10 0 CEAEHN Cc1cc(F)ccc1CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245713038 370861948 /nfs/dbraw/zinc/86/19/48/370861948.db2.gz GIBUDWHDYJLRCR-YOEHRIQHSA-N 0 3 292.398 2.287 10 0 CEAEHN Cc1cc(C)c(CNC(=O)N2CC[C@H](N(C)C)C2)c(C)c1 ZINC000170835162 367429319 /nfs/dbraw/zinc/42/93/19/367429319.db2.gz UEGADPMOIAKBDE-HNNXBMFYSA-N 0 3 289.423 2.457 10 0 CEAEHN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170860347 367432666 /nfs/dbraw/zinc/43/26/66/367432666.db2.gz LHEGXTJUDOOURW-AAEUAGOBSA-N 0 3 296.798 2.270 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCCOc2ccccc2)C1 ZINC000170862384 367434078 /nfs/dbraw/zinc/43/40/78/367434078.db2.gz BKKMRAVRODZQCH-CQSZACIVSA-N 0 3 276.380 2.008 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Cc2ccccc2Cl)C1 ZINC000170861530 367434479 /nfs/dbraw/zinc/43/44/79/367434479.db2.gz BMRCQNREXSNYCD-LBPRGKRZSA-N 0 3 266.772 2.045 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000170868007 367436502 /nfs/dbraw/zinc/43/65/02/367436502.db2.gz LKPPHEFZUNDKEG-SNVBAGLBSA-N 0 3 275.327 2.083 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1F ZINC000170999059 367460108 /nfs/dbraw/zinc/46/01/08/367460108.db2.gz HUGRXOWECVQXLI-QWHCGFSZSA-N 0 3 276.355 2.236 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(CCc3ccncc3)C2)no1 ZINC000171503575 367556249 /nfs/dbraw/zinc/55/62/49/367556249.db2.gz QVBFUSNYWKBDOL-HNNXBMFYSA-N 0 3 286.379 2.270 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC000171508527 367557791 /nfs/dbraw/zinc/55/77/91/367557791.db2.gz XWDPVWCHFQUXQC-GFCCVEGCSA-N 0 3 268.307 2.400 10 0 CEAEHN O=C(/C=C/c1cccc(F)c1)N1CCN2CCC[C@H]2C1 ZINC000171584464 367571481 /nfs/dbraw/zinc/57/14/81/367571481.db2.gz BCQSDDJZNRVUQB-LFAOLKIESA-N 0 3 274.339 2.146 10 0 CEAEHN CCC1CCC(NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000171903139 367635766 /nfs/dbraw/zinc/63/57/66/367635766.db2.gz ZRUCXCWPZFNLBV-YMAMQOFZSA-N 0 3 279.428 2.445 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)c2cccc(C(F)F)c2)CCO1 ZINC000172307229 367715124 /nfs/dbraw/zinc/71/51/24/367715124.db2.gz VUHJSHZGJHQZKV-ZDUSSCGKSA-N 0 3 298.333 2.027 10 0 CEAEHN C[C@@H](N[C@H](C)c1cccs1)C(=O)NC(=O)NC(C)(C)C ZINC000172604065 367786504 /nfs/dbraw/zinc/78/65/04/367786504.db2.gz RCKLJZINDZTKNR-NXEZZACHSA-N 0 3 297.424 2.412 10 0 CEAEHN Cc1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1C ZINC000245807183 370874877 /nfs/dbraw/zinc/87/48/77/370874877.db2.gz YURQGBQQXWWCIV-CVEARBPZSA-N 0 3 276.424 2.190 10 0 CEAEHN COC[C@@H](O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000172987912 367853942 /nfs/dbraw/zinc/85/39/42/367853942.db2.gz BNVPVMLOINQZHY-STQMWFEESA-N 0 3 253.342 2.122 10 0 CEAEHN COc1ccc(OCCN2CCN3CCCC[C@@H]3C2)cc1 ZINC000172805497 367822179 /nfs/dbraw/zinc/82/21/79/367822179.db2.gz GEKPLOPSBFAWFO-OAHLLOKOSA-N 0 3 290.407 2.244 10 0 CEAEHN C[C@H](CN[C@H](C)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000173306977 367895056 /nfs/dbraw/zinc/89/50/56/367895056.db2.gz JAHQATDBNBFIGV-VXGBXAGGSA-N 0 3 284.350 2.336 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)o1 ZINC000174628127 368048774 /nfs/dbraw/zinc/04/87/74/368048774.db2.gz JBHHPXKXNPPNPJ-LLVKDONJSA-N 0 3 250.342 2.107 10 0 CEAEHN COc1cncc(CN2C[C@@H]3CCCCN3C[C@H]2C)c1 ZINC000343869007 368049665 /nfs/dbraw/zinc/04/96/65/368049665.db2.gz OVSCVWMBARFYGM-HIFRSBDPSA-N 0 3 275.396 2.149 10 0 CEAEHN CC(=O)c1ccccc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000174850130 368072064 /nfs/dbraw/zinc/07/20/64/368072064.db2.gz PSNBAGHQIJAYRT-TZMCWYRMSA-N 0 3 286.375 2.198 10 0 CEAEHN Cc1[nH]ccc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000175118723 368102434 /nfs/dbraw/zinc/10/24/34/368102434.db2.gz KZNZKDXPVISEOE-OAHLLOKOSA-N 0 3 271.364 2.356 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)C2CCCC2)C1 ZINC000176681812 368251416 /nfs/dbraw/zinc/25/14/16/368251416.db2.gz AUSDSGCKJKPICW-OCCSQVGLSA-N 0 3 267.417 2.299 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245999861 370898390 /nfs/dbraw/zinc/89/83/90/370898390.db2.gz CYEMSWYASTYWFO-AGIUHOORSA-N 0 3 294.345 2.231 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246021713 370900149 /nfs/dbraw/zinc/90/01/49/370900149.db2.gz OOSZWTIUFNTJGG-MGPQQGTHSA-N 0 3 267.417 2.158 10 0 CEAEHN CCC(CC)CS(=O)(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246078694 370906015 /nfs/dbraw/zinc/90/60/15/370906015.db2.gz FOBBNUTYODHIOW-OCCSQVGLSA-N 0 3 290.473 2.071 10 0 CEAEHN Cc1ccc2nc(CN3CCN4CCCC[C@H]4C3)cn2c1 ZINC000246129608 370912872 /nfs/dbraw/zinc/91/28/72/370912872.db2.gz MFJHCWJDBYSNLA-INIZCTEOSA-N 0 3 284.407 2.313 10 0 CEAEHN CC(C)(C)c1nc(CN2CCN3CCCC[C@H]3C2)no1 ZINC000246128073 370913166 /nfs/dbraw/zinc/91/31/66/370913166.db2.gz BXMGTSPSVYMGCC-LBPRGKRZSA-N 0 3 278.400 2.037 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185605889 368830098 /nfs/dbraw/zinc/83/00/98/368830098.db2.gz JWIAMBRXUCXQPZ-MGPQQGTHSA-N 0 3 252.402 2.221 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](C)c1nc(C)cs1)N(C)C ZINC000186001231 368903094 /nfs/dbraw/zinc/90/30/94/368903094.db2.gz MRTVOJIOWBBRDP-CMPLNLGQSA-N 0 3 283.441 2.402 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(C[C@@H]2CCC(C)(C)O2)C1 ZINC000186921306 369068549 /nfs/dbraw/zinc/06/85/49/369068549.db2.gz RZHDIFALQXFXMM-KBPBESRZSA-N 0 3 282.428 2.325 10 0 CEAEHN C[C@H]1CN(CCN(C)Cc2ccc(F)cc2)CCCO1 ZINC000186933675 369071127 /nfs/dbraw/zinc/07/11/27/369071127.db2.gz ZRXDUDPHODYUNI-AWEZNQCLSA-N 0 3 280.387 2.368 10 0 CEAEHN C[C@@H](Cc1ccccc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000246548043 370975552 /nfs/dbraw/zinc/97/55/52/370975552.db2.gz CQPHDNGKQHPXDH-HOCLYGCPSA-N 0 3 272.392 2.172 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)N(CCN(C)C)c1ccccc1 ZINC000190687893 369645635 /nfs/dbraw/zinc/64/56/35/369645635.db2.gz QUXIHNOGEYMKRE-GOEBONIOSA-N 0 3 290.407 2.396 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000191366305 369706895 /nfs/dbraw/zinc/70/68/95/369706895.db2.gz JCSQNDOPBWWWLN-IMJJTQAJSA-N 0 3 290.407 2.221 10 0 CEAEHN C[C@@H](CNCc1sccc1Cl)N1CCOCC1 ZINC000192994199 369880275 /nfs/dbraw/zinc/88/02/75/369880275.db2.gz NOKKEOXWQJJBAT-JTQLQIEISA-N 0 3 274.817 2.212 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1cccc(F)c1 ZINC000193245974 369910251 /nfs/dbraw/zinc/91/02/51/369910251.db2.gz LEKCWKJWVISELF-OAHLLOKOSA-N 0 3 269.360 2.435 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000193251143 369911430 /nfs/dbraw/zinc/91/14/30/369911430.db2.gz CNUQWDZMXQNSFZ-NWDGAFQWSA-N 0 3 283.334 2.438 10 0 CEAEHN CNc1cccc(C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000638072659 370280070 /nfs/dbraw/zinc/28/00/70/370280070.db2.gz UQEYZLSBHVTVNB-OAHLLOKOSA-N 0 3 277.412 2.434 10 0 CEAEHN C[C@]1(C(=O)N2CCc3ccc(F)cc32)CCCCN1 ZINC000227694815 370380051 /nfs/dbraw/zinc/38/00/51/370380051.db2.gz SCGFNCOZCKICMY-OAHLLOKOSA-N 0 3 262.328 2.247 10 0 CEAEHN Cc1c(CNCCSC(F)(F)F)cnn1C ZINC000229804794 370431194 /nfs/dbraw/zinc/43/11/94/370431194.db2.gz RCDJXFGDMIEJFS-UHFFFAOYSA-N 0 3 253.293 2.071 10 0 CEAEHN C[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)CCCCN1 ZINC000638536800 370599429 /nfs/dbraw/zinc/59/94/29/370599429.db2.gz SKLFUSKDRYDENX-MBNYWOFBSA-N 0 3 268.426 2.015 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC[C@@]2(C)CCCS2)C1 ZINC000246672899 370993010 /nfs/dbraw/zinc/99/30/10/370993010.db2.gz QMRSLLARQDSMTE-TZMCWYRMSA-N 0 3 285.457 2.056 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000236788692 370627626 /nfs/dbraw/zinc/62/76/26/370627626.db2.gz CEWFPTARQNQZRC-CQSZACIVSA-N 0 3 291.395 2.121 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000246692785 370995717 /nfs/dbraw/zinc/99/57/17/370995717.db2.gz DGAKBOABUDEACS-CABCVRRESA-N 0 3 288.435 2.062 10 0 CEAEHN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCN2CCC[C@H]2C1 ZINC000246699443 370997311 /nfs/dbraw/zinc/99/73/11/370997311.db2.gz YHMBWJZMYGHUEC-ULQDDVLXSA-N 0 3 299.418 2.280 10 0 CEAEHN C[C@H](O)CN1CCN(C[C@@H](C)c2ccccc2)C[C@H]1C ZINC000246956595 371036780 /nfs/dbraw/zinc/03/67/80/371036780.db2.gz DCDWKJPDRJUEIN-OAGGEKHMSA-N 0 3 276.424 2.177 10 0 CEAEHN C[C@@H](Cc1ccccc1F)C(=O)N1CCN2CCC[C@H]2C1 ZINC000246962381 371037128 /nfs/dbraw/zinc/03/71/28/371037128.db2.gz GEVOMBPYOLYYPS-ZFWWWQNUSA-N 0 3 290.382 2.311 10 0 CEAEHN Cc1ccccc1NC(=O)[C@H](C)N1CCN2CCC[C@H]2C1 ZINC000247229877 371079830 /nfs/dbraw/zinc/07/98/30/371079830.db2.gz RENFSWSXVOEWIU-GJZGRUSLSA-N 0 3 287.407 2.102 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2cscn2)C1 ZINC000247345428 371096445 /nfs/dbraw/zinc/09/64/45/371096445.db2.gz NSUHYXIZDDHSOV-WCQYABFASA-N 0 3 296.440 2.013 10 0 CEAEHN COc1ccc(F)cc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247393667 371102761 /nfs/dbraw/zinc/10/27/61/371102761.db2.gz QOXQNPYRDJCZCD-SMDDNHRTSA-N 0 3 294.370 2.293 10 0 CEAEHN COc1csc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000247511733 371118940 /nfs/dbraw/zinc/11/89/40/371118940.db2.gz YLABZVDWZLBNEV-CMPLNLGQSA-N 0 3 282.409 2.215 10 0 CEAEHN CC(C)OC[C@@H](O)CN1CCC[C@H]1c1ccco1 ZINC000247572663 371127518 /nfs/dbraw/zinc/12/75/18/371127518.db2.gz WXUUPSKZEUDRSC-STQMWFEESA-N 0 3 253.342 2.202 10 0 CEAEHN OC[C@@H]1CN(Cc2cccnc2)C[C@@H]1c1ccsc1 ZINC000249527932 371332016 /nfs/dbraw/zinc/33/20/16/371332016.db2.gz AJURISJGVRQKID-LSDHHAIUSA-N 0 3 274.389 2.351 10 0 CEAEHN CCn1nccc1CN1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249981140 371373440 /nfs/dbraw/zinc/37/34/40/371373440.db2.gz LHSORUMIWSUCKG-UKRRQHHQSA-N 0 3 291.420 2.172 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)N1CCCCCC1 ZINC000253172573 371499603 /nfs/dbraw/zinc/49/96/03/371499603.db2.gz KFHHINFVFZAGRY-KGLIPLIRSA-N 0 3 265.401 2.151 10 0 CEAEHN C[C@@H]1CCC[C@@H](CCNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261774241 371728456 /nfs/dbraw/zinc/72/84/56/371728456.db2.gz MMGOEZHMDJVDAF-VNHYZAJKSA-N 0 3 282.428 2.073 10 0 CEAEHN CC(C)(C)c1cnc(NC(=O)[C@@H](N)C2CCOCC2)s1 ZINC000261780637 371730076 /nfs/dbraw/zinc/73/00/76/371730076.db2.gz MYHZSXDURHEFIO-NSHDSACASA-N 0 3 297.424 2.133 10 0 CEAEHN CCCC1CCC(NC(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261795043 371733494 /nfs/dbraw/zinc/73/34/94/371733494.db2.gz NUKWFILADWYJRR-PESDSKBTSA-N 0 3 282.428 2.215 10 0 CEAEHN Cc1ccnc(NC[C@@H]2NCCc3ccccc32)n1 ZINC000261633222 371686585 /nfs/dbraw/zinc/68/65/85/371686585.db2.gz WDTHANWMUUVTLL-AWEZNQCLSA-N 0 3 254.337 2.084 10 0 CEAEHN N[C@@H](C(=O)NCc1ccc2ccccc2c1)C1CCOCC1 ZINC000261833950 371745642 /nfs/dbraw/zinc/74/56/42/371745642.db2.gz QFBUBEDALSQBMH-QGZVFWFLSA-N 0 3 298.386 2.210 10 0 CEAEHN COC[C@@H](C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000262953861 371926038 /nfs/dbraw/zinc/92/60/38/371926038.db2.gz JFUBNMUYKGCMRZ-MRVPVSSYSA-N 0 3 290.285 2.385 10 0 CEAEHN CCc1ccc([C@@H](C)NCCn2cncn2)s1 ZINC000268850276 372255393 /nfs/dbraw/zinc/25/53/93/372255393.db2.gz SKLODUVDZNHSBB-SNVBAGLBSA-N 0 3 250.371 2.253 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccsc2Cl)nn1 ZINC000641066723 372270496 /nfs/dbraw/zinc/27/04/96/372270496.db2.gz LAKJGMAYOJWRGT-UHFFFAOYSA-N 0 3 256.762 2.235 10 0 CEAEHN CCNc1nc(C(=O)N(C)C[C@@H]2CCCN2CC)cs1 ZINC000269244315 372396186 /nfs/dbraw/zinc/39/61/86/372396186.db2.gz IIFYALIGOOWZAF-NSHDSACASA-N 0 3 296.440 2.131 10 0 CEAEHN CCC[C@H](C)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000643221352 372976478 /nfs/dbraw/zinc/97/64/78/372976478.db2.gz BMNUGIWJFMXSEI-QWHCGFSZSA-N 0 3 257.422 2.451 10 0 CEAEHN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CNCCOC1 ZINC000643615874 373222530 /nfs/dbraw/zinc/22/25/30/373222530.db2.gz ABXBHDDMMXYIEU-CYBMUJFWSA-N 0 3 276.380 2.293 10 0 CEAEHN CC[C@@H](NC(=O)[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000644016977 373340167 /nfs/dbraw/zinc/34/01/67/373340167.db2.gz XYVANJDDPYHGAB-CHWSQXEVSA-N 0 3 282.334 2.499 10 0 CEAEHN Cc1cccc(OCC(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000247170577 220220492 /nfs/dbraw/zinc/22/04/92/220220492.db2.gz KROAIQUXAXTZMZ-HUUCEWRRSA-N 0 3 288.391 2.069 10 0 CEAEHN CCN(CCC(F)(F)F)C(=O)[C@]1(C)CCCCN1 ZINC000645815004 374203312 /nfs/dbraw/zinc/20/33/12/374203312.db2.gz WVYZCGJHWBZOPX-NSHDSACASA-N 0 3 266.307 2.320 10 0 CEAEHN C[C@@H](c1c(F)cccc1F)N1CCO[C@@H](CN(C)C)C1 ZINC000247038953 296223656 /nfs/dbraw/zinc/22/36/56/296223656.db2.gz DPPGXZSLFKKZJO-RYUDHWBXSA-N 0 3 284.350 2.288 10 0 CEAEHN CCN1CC[C@@H](NCc2nc3ccccc3n2CC)C1 ZINC000389228089 375301729 /nfs/dbraw/zinc/30/17/29/375301729.db2.gz HWVGWXHYGPVIKS-CYBMUJFWSA-N 0 3 272.396 2.240 10 0 CEAEHN CCN1CCC[C@@H](Nc2nccc(SC)n2)C1 ZINC000386528228 375262826 /nfs/dbraw/zinc/26/28/26/375262826.db2.gz YXTDOHWMFCVNKP-SNVBAGLBSA-N 0 3 252.387 2.095 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccc(F)cc1 ZINC000282208551 375429867 /nfs/dbraw/zinc/42/98/67/375429867.db2.gz DDMQESCONDHJRO-OUJBWJOFSA-N 0 3 250.317 2.143 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000282247153 375438835 /nfs/dbraw/zinc/43/88/35/375438835.db2.gz GKPPJDGVGMQLKK-CABZTGNLSA-N 0 3 268.307 2.381 10 0 CEAEHN COc1ccc(Cl)cc1CN[C@@H]1CCC(=O)N[C@H]1C ZINC000282524225 375506390 /nfs/dbraw/zinc/50/63/90/375506390.db2.gz YMFBWTVSYNFLME-JOYOIKCWSA-N 0 3 282.771 2.105 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCc3ncnn3C2)o1 ZINC000262435640 190054827 /nfs/dbraw/zinc/05/48/27/190054827.db2.gz UHSOPKMTLJJKOL-MDZLAQPJSA-N 0 3 272.352 2.099 10 0 CEAEHN O[C@]1(C(F)(F)F)CCN(C[C@H]2Cc3ccccc32)C1 ZINC000287905863 376338680 /nfs/dbraw/zinc/33/86/80/376338680.db2.gz VCVNBQLAZULZBY-DGCLKSJQSA-N 0 3 271.282 2.325 10 0 CEAEHN C[C@@H]1[C@H](N2CCCNC2=O)CCN1Cc1ccccc1 ZINC000306716664 376553981 /nfs/dbraw/zinc/55/39/81/376553981.db2.gz BRZFYBHZSWVLAT-UKRRQHHQSA-N 0 3 273.380 2.065 10 0 CEAEHN NCc1ccc2cccc(I)c2n1 ZINC000306184242 376543218 /nfs/dbraw/zinc/54/32/18/376543218.db2.gz DMNBOZGJHUISTF-UHFFFAOYSA-N 0 3 284.100 2.298 10 0 CEAEHN O=C(NCc1c(Cl)cccc1Cl)[C@H]1C[C@H](F)CN1 ZINC000563155194 377109113 /nfs/dbraw/zinc/10/91/13/377109113.db2.gz YPUFCWDKRCWEFX-WRWORJQWSA-N 0 3 291.153 2.310 10 0 CEAEHN C[C@H](NCC(=O)N(C)C1CCC(C)CC1)[C@@H]1CCCO1 ZINC000183119013 542287458 /nfs/dbraw/zinc/28/74/58/542287458.db2.gz CFYYTAOQEHWIPP-SHWKFHJASA-N 0 3 282.428 2.181 10 0 CEAEHN CNC(=O)[C@H](NCCSc1ccccc1)C(C)C ZINC000183686331 542293607 /nfs/dbraw/zinc/29/36/07/542293607.db2.gz PERREMOORVTBPW-CYBMUJFWSA-N 0 3 266.410 2.139 10 0 CEAEHN CNCc1sc(N(C)[C@@H](C)COC)nc1C(C)C ZINC000092999845 184641681 /nfs/dbraw/zinc/64/16/81/184641681.db2.gz UFCGLABQJRFUDD-JTQLQIEISA-N 0 3 271.430 2.457 10 0 CEAEHN Cc1c(C(=O)N[C@@H](CN(C)C)c2ccccc2)ccn1C ZINC000194992991 542363808 /nfs/dbraw/zinc/36/38/08/542363808.db2.gz LDYHHDWQRSWAFA-INIZCTEOSA-N 0 3 285.391 2.366 10 0 CEAEHN CCc1nnc(CN2C[C@@H]3CCCN3C[C@H]2CC)s1 ZINC000392153269 542374897 /nfs/dbraw/zinc/37/48/97/542374897.db2.gz ZREHTNMDDYJUGH-NEPJUHHUSA-N 0 3 280.441 2.159 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000177713911 285274728 /nfs/dbraw/zinc/27/47/28/285274728.db2.gz IHWWLASPJNBARJ-HOTGVXAUSA-N 0 3 295.471 2.194 10 0 CEAEHN CCC[C@H](CS(=O)(=O)Cc1ccccc1)NCC ZINC000081923796 177897853 /nfs/dbraw/zinc/89/78/53/177897853.db2.gz OHSGQUGGAIARPM-CQSZACIVSA-N 0 3 269.410 2.380 10 0 CEAEHN COc1ccccc1[C@H](N)CSc1ccncn1 ZINC000081886773 177878384 /nfs/dbraw/zinc/87/83/84/177878384.db2.gz JMSWMSAXKLOHRO-LLVKDONJSA-N 0 3 261.350 2.277 10 0 CEAEHN CC(C)NC(=O)[C@@H](CN)Cc1cccc2c1OC(C)(C)C2 ZINC000080506890 177659371 /nfs/dbraw/zinc/65/93/71/177659371.db2.gz KHJLQPOVGSIGSF-CQSZACIVSA-N 0 3 290.407 2.042 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1ccc(CNC(C)(C)C)nc1 ZINC000094211507 184763963 /nfs/dbraw/zinc/76/39/63/184763963.db2.gz KDEGIDHUOAIZLA-LBPRGKRZSA-N 0 3 293.411 2.263 10 0 CEAEHN Cc1cccnc1[C@H](N)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094401077 184793623 /nfs/dbraw/zinc/79/36/23/184793623.db2.gz DNNJFMXPLVFKNM-ZIAGYGMSSA-N 0 3 276.380 2.366 10 0 CEAEHN NC(=O)[C@@](CSc1cccc(F)c1)(NC1CC1)C1CC1 ZINC000094624506 184828453 /nfs/dbraw/zinc/82/84/53/184828453.db2.gz SHFPEAUNRMHGGM-HNNXBMFYSA-N 0 3 294.395 2.304 10 0 CEAEHN CCCN[C@@H](Cc1ncnn1C)c1ccc(Cl)cn1 ZINC000094844989 184879046 /nfs/dbraw/zinc/87/90/46/184879046.db2.gz TUECRMQCSLWPGN-LBPRGKRZSA-N 0 3 279.775 2.147 10 0 CEAEHN CN(C)CCSCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000095020145 184916000 /nfs/dbraw/zinc/91/60/00/184916000.db2.gz MHALRWSJISSZGS-UHFFFAOYSA-N 0 3 287.816 2.156 10 0 CEAEHN Cc1csc(COc2cc3c(cc2CN)OCO3)n1 ZINC000094964779 184906927 /nfs/dbraw/zinc/90/69/27/184906927.db2.gz FHHJSUKJKJIYJL-UHFFFAOYSA-N 0 3 278.333 2.218 10 0 CEAEHN C[C@@H](NCc1cc[nH]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400463034 533442337 /nfs/dbraw/zinc/44/23/37/533442337.db2.gz SBXOAEKWKVYHML-NEPJUHHUSA-N 0 3 294.399 2.145 10 0 CEAEHN Cc1ccc2c(c1)CCCN2c1cnc(C(=N)N)cn1 ZINC000071179873 134960358 /nfs/dbraw/zinc/96/03/58/134960358.db2.gz YIJKXJCDZSOLHD-UHFFFAOYSA-N 0 3 267.336 2.153 10 0 CEAEHN CCCCS(=O)(=O)N1CC[C@H](N)c2ccccc21 ZINC000071324849 134962956 /nfs/dbraw/zinc/96/29/56/134962956.db2.gz WLLILWYIIJKXST-LBPRGKRZSA-N 0 3 268.382 2.026 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1c1c(F)cc(F)cc1F ZINC000088724122 135056529 /nfs/dbraw/zinc/05/65/29/135056529.db2.gz SSRQWEHHRXCROL-LBPRGKRZSA-N 0 3 284.281 2.351 10 0 CEAEHN C[C@H]1Cc2ccccc2N(c2cncc(CN)n2)C1 ZINC000091421552 135069348 /nfs/dbraw/zinc/06/93/48/135069348.db2.gz ISMILCQLBGBHKR-NSHDSACASA-N 0 3 254.337 2.266 10 0 CEAEHN CCCNCc1cncc(N2CCC[C@H](OCCC)C2)n1 ZINC000091421014 135069469 /nfs/dbraw/zinc/06/94/69/135069469.db2.gz WCSJTSUTCSPWTE-HNNXBMFYSA-N 0 3 292.427 2.372 10 0 CEAEHN Cc1cc(F)cc(N2CCC[C@@H](NC3CC3)C2=O)c1 ZINC000091527218 135071049 /nfs/dbraw/zinc/07/10/49/135071049.db2.gz DOVDBWGZSFPVQT-CQSZACIVSA-N 0 3 262.328 2.382 10 0 CEAEHN C[C@H](O)c1ccc(N2CCN(C(C)(C)C)CC2)cc1O ZINC000093672289 135082177 /nfs/dbraw/zinc/08/21/77/135082177.db2.gz HHKMZJYGCHYYTJ-LBPRGKRZSA-N 0 3 278.396 2.366 10 0 CEAEHN Cc1cc(N2C[C@@H]3[C@H](C2)OCCN3C)c2ccccc2n1 ZINC000301635529 394463573 /nfs/dbraw/zinc/46/35/73/394463573.db2.gz DXRZOIZSIGBWSC-SJORKVTESA-N 0 3 283.375 2.062 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000236921886 394489587 /nfs/dbraw/zinc/48/95/87/394489587.db2.gz KGLDHIMIEYIQRU-PWSUYJOCSA-N 0 3 294.399 2.422 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CC[C@@H]1CCCO1 ZINC000251928667 394569853 /nfs/dbraw/zinc/56/98/53/394569853.db2.gz YNVLBVIVLVBZAX-ILXRZTDVSA-N 0 3 252.402 2.114 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC000247391841 394530369 /nfs/dbraw/zinc/53/03/69/394530369.db2.gz QMHUBWIDGIUBJY-KCQAQPDRSA-N 0 3 275.396 2.030 10 0 CEAEHN CC(C)OCCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000310558261 394535311 /nfs/dbraw/zinc/53/53/11/394535311.db2.gz AJAVIALXPAULHR-LSDHHAIUSA-N 0 3 254.418 2.360 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCCC3(CC3)C2)C1 ZINC000248717548 394546383 /nfs/dbraw/zinc/54/63/83/394546383.db2.gz NVVVCFGETGYHQF-UONOGXRCSA-N 0 3 279.428 2.301 10 0 CEAEHN CC(C)N(C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116211436 394757554 /nfs/dbraw/zinc/75/75/54/394757554.db2.gz CEMAYXFEXSYZKK-GFCCVEGCSA-N 0 3 250.342 2.283 10 0 CEAEHN Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@@H](N(C)C)C3)cc21 ZINC000116749191 394758634 /nfs/dbraw/zinc/75/86/34/394758634.db2.gz MWFOWYANRGVFTI-GFCCVEGCSA-N 0 3 289.354 2.392 10 0 CEAEHN CC[C@@H](O)CN1CCN(C[C@H](C)Cc2ccccc2)CC1 ZINC000132335538 394928612 /nfs/dbraw/zinc/92/86/12/394928612.db2.gz ALCPKIDVRGDKRR-SJLPKXTDSA-N 0 3 290.451 2.254 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2csc(C)c2)C1 ZINC000381427672 395175477 /nfs/dbraw/zinc/17/54/77/395175477.db2.gz BYXRMHGBSBBOJN-GXTWGEPZSA-N 0 3 268.426 2.428 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1Cc1ccns1 ZINC000404334241 395282921 /nfs/dbraw/zinc/28/29/21/395282921.db2.gz AQIPOLZEEIJEQQ-RYUDHWBXSA-N 0 3 251.399 2.202 10 0 CEAEHN COc1c(C)cnc(CN(C)[C@H]2CCC[C@@H]2O)c1C ZINC000352667471 395264308 /nfs/dbraw/zinc/26/43/08/395264308.db2.gz KOTKLQQPRPRGSH-KBPBESRZSA-N 0 3 264.369 2.052 10 0 CEAEHN C[C@H](NC(=O)CNC1CC1)c1cccc(Br)c1 ZINC000037609301 400117515 /nfs/dbraw/zinc/11/75/15/400117515.db2.gz MJZTYOUEMILKOV-VIFPVBQESA-N 0 3 297.196 2.378 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1ccccc1OC)C(F)(F)F ZINC000062784312 522650972 /nfs/dbraw/zinc/65/09/72/522650972.db2.gz CPNRFECNCIJTFX-MNOVXSKESA-N 0 3 263.259 2.182 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170832290 292243135 /nfs/dbraw/zinc/24/31/35/292243135.db2.gz BBEPQHYPXJJVAW-DZGCQCFKSA-N 0 3 275.396 2.402 10 0 CEAEHN COCCC(C)(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000185427217 292279587 /nfs/dbraw/zinc/27/95/87/292279587.db2.gz AKPFHKVTFYICSN-CYBMUJFWSA-N 0 3 272.433 2.142 10 0 CEAEHN Cc1nc(CC2CC2)sc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000191174294 153162948 /nfs/dbraw/zinc/16/29/48/153162948.db2.gz ODGQINATMSYZMI-LBPRGKRZSA-N 0 3 293.436 2.180 10 0 CEAEHN Cc1ccccc1SCC(=O)N1CCN2CCC[C@H]2C1 ZINC000195309205 153281534 /nfs/dbraw/zinc/28/15/34/153281534.db2.gz TWGPHQVTHBJXSC-AWEZNQCLSA-N 0 3 290.432 2.394 10 0 CEAEHN C[C@@H]1CCC[C@H](CCNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261774237 153835059 /nfs/dbraw/zinc/83/50/59/153835059.db2.gz MMGOEZHMDJVDAF-NFAWXSAZSA-N 0 3 282.428 2.073 10 0 CEAEHN Cc1cccc(/C=C/c2nc([C@@H]3CNCCN3C)no2)c1 ZINC000263211832 154034585 /nfs/dbraw/zinc/03/45/85/154034585.db2.gz KKARKQDVLYKJKI-UZYOAWRESA-N 0 3 284.363 2.125 10 0 CEAEHN C[C@H](Cc1nc([C@@H]2CNCCN2C)no1)C1CCCCC1 ZINC000263234251 154041833 /nfs/dbraw/zinc/04/18/33/154041833.db2.gz NTRYTSJVPPULPR-OCCSQVGLSA-N 0 3 292.427 2.405 10 0 CEAEHN CC[C@H]([NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1)C(C)C ZINC000263462552 154099954 /nfs/dbraw/zinc/09/99/54/154099954.db2.gz CALIRCJDKVCSOP-NRXISQOPSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@H](NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C(C)C ZINC000263462552 154099965 /nfs/dbraw/zinc/09/99/65/154099965.db2.gz CALIRCJDKVCSOP-NRXISQOPSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@H](NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C(C)C ZINC000263462552 154099972 /nfs/dbraw/zinc/09/99/72/154099972.db2.gz CALIRCJDKVCSOP-NRXISQOPSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)(C)CCNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263517737 154112780 /nfs/dbraw/zinc/11/27/80/154112780.db2.gz PLKAUYBTVJEUEN-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC(C)(C)CCNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263517737 154112783 /nfs/dbraw/zinc/11/27/83/154112783.db2.gz PLKAUYBTVJEUEN-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN NCC1(c2nc(-c3ccccc3Cl)no2)CCOCC1 ZINC000166103994 162346497 /nfs/dbraw/zinc/34/64/97/162346497.db2.gz LXMBHZJBXHAASY-UHFFFAOYSA-N 0 3 293.754 2.397 10 0 CEAEHN CCc1ccc(-c2noc(C3(CN)CCOCC3)n2)cc1 ZINC000166101834 162348878 /nfs/dbraw/zinc/34/88/78/162348878.db2.gz BTRPRYULRQMAPQ-UHFFFAOYSA-N 0 3 287.363 2.306 10 0 CEAEHN CCCCC[C@@H](C)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171897360 165050660 /nfs/dbraw/zinc/05/06/60/165050660.db2.gz OPXIBKNRCDYYNS-ZIAGYGMSSA-N 0 3 267.417 2.445 10 0 CEAEHN c1coc([C@@H]2CCCN2CCCN2CCOCC2)c1 ZINC000173653067 165079262 /nfs/dbraw/zinc/07/92/62/165079262.db2.gz NKDVHMSUSCNOHM-AWEZNQCLSA-N 0 3 264.369 2.139 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cc(C)cnc2OC)C1 ZINC000174976912 165123481 /nfs/dbraw/zinc/12/34/81/165123481.db2.gz FJRRCPBHWMUWJA-LBPRGKRZSA-N 0 3 292.383 2.004 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C)nc1C ZINC000176995175 165182085 /nfs/dbraw/zinc/18/20/85/165182085.db2.gz OOCLVMQFOVAWPJ-CQSZACIVSA-N 0 3 275.396 2.255 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCCOCC(C)C ZINC000177337818 165195913 /nfs/dbraw/zinc/19/59/13/165195913.db2.gz FXTXYCLHNKROHC-HNNXBMFYSA-N 0 3 299.459 2.175 10 0 CEAEHN O=C(CCc1ccc2[nH]ccc2c1)N1CCN2CCC[C@@H]2C1 ZINC000180472754 165310234 /nfs/dbraw/zinc/31/02/34/165310234.db2.gz CKSQSOOQGNQCSS-MRXNPFEDSA-N 0 3 297.402 2.407 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C)o1)CC2 ZINC000180611420 165315659 /nfs/dbraw/zinc/31/56/59/165315659.db2.gz FFPSXZNKAJJDOV-NWDGAFQWSA-N 0 3 274.368 2.408 10 0 CEAEHN CCn1cc(C2CCN(C[C@@H](C)OC)CC2)cn1 ZINC000182107789 165362716 /nfs/dbraw/zinc/36/27/16/165362716.db2.gz GOHKYTQGCKRGAW-GFCCVEGCSA-N 0 3 251.374 2.117 10 0 CEAEHN Cc1cnn(CCNCc2cnc(C(C)(C)C)nc2)c1 ZINC000284212924 196004689 /nfs/dbraw/zinc/00/46/89/196004689.db2.gz CHUGPBKBUSPNME-UHFFFAOYSA-N 0 3 273.384 2.069 10 0 CEAEHN CCN(CC)CCn1nc(-c2cccs2)ccc1=O ZINC000005388128 170093278 /nfs/dbraw/zinc/09/32/78/170093278.db2.gz HOMPFWUXIKMSIW-UHFFFAOYSA-N 0 3 277.393 2.314 10 0 CEAEHN COc1cc(OC)c(NCCN(C)C)cc1Cl ZINC000020046729 170978066 /nfs/dbraw/zinc/97/80/66/170978066.db2.gz RJJYXTCIWUCKLJ-UHFFFAOYSA-N 0 3 258.749 2.331 10 0 CEAEHN CC(=O)NCCN[C@H](c1ccccc1)c1ccc(O)cc1 ZINC000020148850 171036916 /nfs/dbraw/zinc/03/69/16/171036916.db2.gz XRBKPRWGJRBOEX-QGZVFWFLSA-N 0 3 284.359 2.207 10 0 CEAEHN NC[C@H](c1cccc(Cl)c1)N1CCC(CO)CC1 ZINC000020179058 171044607 /nfs/dbraw/zinc/04/46/07/171044607.db2.gz NICYJZVUQYVQIH-CQSZACIVSA-N 0 3 268.788 2.044 10 0 CEAEHN CCOc1cc2c(cc1CN[C@@H](CC)CO)O[C@H](C)C2 ZINC000020194373 171060148 /nfs/dbraw/zinc/06/01/48/171060148.db2.gz OWQWLIXHWNUUBE-RISCZKNCSA-N 0 3 279.380 2.269 10 0 CEAEHN NC[C@@H](c1ccncc1)N1CCc2ccccc2C1 ZINC000033435427 171796439 /nfs/dbraw/zinc/79/64/39/171796439.db2.gz CPTZTHBMGBSJAB-INIZCTEOSA-N 0 3 253.349 2.140 10 0 CEAEHN COC[C@H](C)NCc1cccc(OC)c1OC(F)F ZINC000035161343 172020563 /nfs/dbraw/zinc/02/05/63/172020563.db2.gz UHAPLHLEKQRXDO-VIFPVBQESA-N 0 3 275.295 2.421 10 0 CEAEHN CCC(CC)NS(=O)(=O)c1cccc([C@H](C)NC)c1 ZINC000035632910 172316251 /nfs/dbraw/zinc/31/62/51/172316251.db2.gz LPSLJJQVRYHJBJ-NSHDSACASA-N 0 3 284.425 2.434 10 0 CEAEHN COc1ccc(Cn2ccnc2CNC(C)C)cc1 ZINC000035636839 172320474 /nfs/dbraw/zinc/32/04/74/172320474.db2.gz VCIPGXYLXIKKLW-UHFFFAOYSA-N 0 3 259.353 2.438 10 0 CEAEHN COCCSCCc1nc2ccc(N)cc2[nH]1 ZINC000035659218 172335031 /nfs/dbraw/zinc/33/50/31/172335031.db2.gz DBKWENLNJDKXBO-UHFFFAOYSA-N 0 3 251.355 2.067 10 0 CEAEHN CNCc1c(N(C)[C@@H](C)C2CC2)nc2sccn12 ZINC000036786020 172702874 /nfs/dbraw/zinc/70/28/74/172702874.db2.gz OFBPFCNJXIATDT-VIFPVBQESA-N 0 3 264.398 2.350 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2ccc(C)c(C)c2)CCO1 ZINC000037180129 173012619 /nfs/dbraw/zinc/01/26/19/173012619.db2.gz JQLOTVIBVYWHSY-HOTGVXAUSA-N 0 3 262.397 2.414 10 0 CEAEHN CC(C)C[C@@H](C)NCc1nc2ccccc2c(=O)[nH]1 ZINC000037264724 173073554 /nfs/dbraw/zinc/07/35/54/173073554.db2.gz KGUWSJHENUHGKU-LLVKDONJSA-N 0 3 259.353 2.447 10 0 CEAEHN CN(C)CCNc1ccc(C(N)=S)c(C(F)(F)F)c1 ZINC000037306527 173110645 /nfs/dbraw/zinc/11/06/45/173110645.db2.gz RJQIZYPRJQZWRT-UHFFFAOYSA-N 0 3 291.342 2.313 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000037395347 173175856 /nfs/dbraw/zinc/17/58/56/173175856.db2.gz STBSWTXPXGAWHR-MRVPVSSYSA-N 0 3 284.743 2.395 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc3c(cccc3Cl)[nH]2)C1 ZINC000037443847 173212146 /nfs/dbraw/zinc/21/21/46/173212146.db2.gz CCQIBJVIMAXOIU-XCBNKYQSSA-N 0 3 251.717 2.266 10 0 CEAEHN CC(C)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000037446544 173213524 /nfs/dbraw/zinc/21/35/24/173213524.db2.gz VAEPNPKXUZCGAE-LBPRGKRZSA-N 0 3 274.286 2.404 10 0 CEAEHN CCCN[C@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000037513893 173245256 /nfs/dbraw/zinc/24/52/56/173245256.db2.gz ORIZIFNMFZQNQE-ZDUSSCGKSA-N 0 3 252.383 2.109 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000040487162 174289848 /nfs/dbraw/zinc/28/98/48/174289848.db2.gz LROZUGNCXKCKJX-XBFCOCLRSA-N 0 3 261.369 2.119 10 0 CEAEHN Cc1cc(C)c(CN)c(Sc2nncs2)n1 ZINC000040509885 174303833 /nfs/dbraw/zinc/30/38/33/174303833.db2.gz COVPNOPXNFREFU-UHFFFAOYSA-N 0 3 252.368 2.160 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519000 174308591 /nfs/dbraw/zinc/30/85/91/174308591.db2.gz BFHLVTYFJPKOKD-ARENWVFISA-N 0 3 269.414 2.311 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000040630289 174358032 /nfs/dbraw/zinc/35/80/32/174358032.db2.gz SZVGOPNOSPEPJS-KWQFWETISA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccccc3C)c[nH]2)C1 ZINC000040637844 174362040 /nfs/dbraw/zinc/36/20/40/174362040.db2.gz IWWHVBKSEFUFMV-WCQYABFASA-N 0 3 257.337 2.435 10 0 CEAEHN COc1ccc(OC)c([C@H](CN)N2CC[C@@H](C)C2)c1 ZINC000040717601 174384994 /nfs/dbraw/zinc/38/49/94/174384994.db2.gz WEKHWPGRQKOLPE-RISCZKNCSA-N 0 3 264.369 2.045 10 0 CEAEHN Nc1cc(C(=O)NCCN2CCCCCC2)c(F)cc1F ZINC000040766990 174398180 /nfs/dbraw/zinc/39/81/80/174398180.db2.gz FCECCOVOTLSADE-UHFFFAOYSA-N 0 3 297.349 2.153 10 0 CEAEHN CC(C)C[C@H](CNC(=O)c1cc(F)ccc1N)N(C)C ZINC000040831322 174413158 /nfs/dbraw/zinc/41/31/58/174413158.db2.gz DBGZJKIOQXOOEY-GFCCVEGCSA-N 0 3 281.375 2.114 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1snnc1C ZINC000311832383 414863268 /nfs/dbraw/zinc/86/32/68/414863268.db2.gz PHTQLZYIKRHENV-CHWSQXEVSA-N 0 3 280.441 2.295 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1snnc1C ZINC000311832386 414863496 /nfs/dbraw/zinc/86/34/96/414863496.db2.gz PHTQLZYIKRHENV-STQMWFEESA-N 0 3 280.441 2.295 10 0 CEAEHN COCc1csc(CNCCn2cc(C)cn2)c1 ZINC000657353276 414879950 /nfs/dbraw/zinc/87/99/50/414879950.db2.gz PQFIFUOIPABNIW-UHFFFAOYSA-N 0 3 265.382 2.189 10 0 CEAEHN CN1C[C@@H](CNCc2ccccc2Br)CC1=O ZINC000657694337 415051252 /nfs/dbraw/zinc/05/12/52/415051252.db2.gz KDDCVFRVBIZGKJ-SNVBAGLBSA-N 0 3 297.196 2.017 10 0 CEAEHN CCNCc1c(Cl)cccc1N(CC(N)=O)CC(C)C ZINC000042691784 174839929 /nfs/dbraw/zinc/83/99/29/174839929.db2.gz KUNARAFDHRTHRN-UHFFFAOYSA-N 0 3 297.830 2.397 10 0 CEAEHN COc1ccccc1[C@@H](CN)N(C)Cc1cscn1 ZINC000042864134 174894542 /nfs/dbraw/zinc/89/45/42/174894542.db2.gz XDTDAMAZOOIWAW-CYBMUJFWSA-N 0 3 277.393 2.284 10 0 CEAEHN CN[C@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300267 175000892 /nfs/dbraw/zinc/00/08/92/175000892.db2.gz POEOQSUZTHXCNW-CMPLNLGQSA-N 0 3 273.785 2.035 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301174 175002187 /nfs/dbraw/zinc/00/21/87/175002187.db2.gz VVDCHLJIVUSFNB-TZMCWYRMSA-N 0 3 285.384 2.301 10 0 CEAEHN CCN[C@H](c1cccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000043315519 175004942 /nfs/dbraw/zinc/00/49/42/175004942.db2.gz ZMSFVFQARNCYJD-ZFWWWQNUSA-N 0 3 281.421 2.389 10 0 CEAEHN CCCN[C@@H]1CCN(c2cc(OC)ccc2Cl)C1=O ZINC000043318014 175005059 /nfs/dbraw/zinc/00/50/59/175005059.db2.gz KJXZDIWYTUPQMA-GFCCVEGCSA-N 0 3 282.771 2.454 10 0 CEAEHN CCN[C@H]1CCN(c2cc(OC)ccc2Cl)C1=O ZINC000043318012 175005257 /nfs/dbraw/zinc/00/52/57/175005257.db2.gz BDUATCWRJQFYCR-NSHDSACASA-N 0 3 268.744 2.063 10 0 CEAEHN COc1ccc(Cl)c(-n2nnc([C@H](C)N)c2C)c1 ZINC000043318452 175005764 /nfs/dbraw/zinc/00/57/64/175005764.db2.gz XRSRDFWPPCWXNA-ZETCQYMHSA-N 0 3 266.732 2.257 10 0 CEAEHN COc1ccc([O-])c(C(=O)N(C)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000043327795 175009207 /nfs/dbraw/zinc/00/92/07/175009207.db2.gz AAHLJHBFLDIPCC-LBPRGKRZSA-N 0 3 292.379 2.005 10 0 CEAEHN CC[NH2+]C1CCC(NC(=O)c2cc(OC)ccc2[O-])CC1 ZINC000043327760 175009491 /nfs/dbraw/zinc/00/94/91/175009491.db2.gz DYJXNEHUKFZUKA-UHFFFAOYSA-N 0 3 292.379 2.051 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000043335726 175011554 /nfs/dbraw/zinc/01/15/54/175011554.db2.gz HJOMVIMIMILCNJ-OUCADQQQSA-N 0 3 252.358 2.169 10 0 CEAEHN C[C@@H](N)[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000043337840 175012419 /nfs/dbraw/zinc/01/24/19/175012419.db2.gz JUYAUPTXLIQEHN-YGRLFVJLSA-N 0 3 295.360 2.150 10 0 CEAEHN C[C@H](N[C@@H]1CCNC1=O)c1cc2c(s1)CCCC2 ZINC000658052591 415174615 /nfs/dbraw/zinc/17/46/15/415174615.db2.gz MNNQOKWFUXAURN-GXSJLCMTSA-N 0 3 264.394 2.166 10 0 CEAEHN CN[C@@H](CN1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000043807128 175108389 /nfs/dbraw/zinc/10/83/89/175108389.db2.gz CULGMHHEXVTNIA-AWEZNQCLSA-N 0 3 276.380 2.204 10 0 CEAEHN CN[C@H](CN1CCOCC1)c1cc2ccccc2o1 ZINC000043808156 175108897 /nfs/dbraw/zinc/10/88/97/175108897.db2.gz YEWVCPULYYNXEZ-CYBMUJFWSA-N 0 3 260.337 2.026 10 0 CEAEHN CN[C@H](CN(C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043813112 175111071 /nfs/dbraw/zinc/11/10/71/175111071.db2.gz PZGYRTZMWFZXHT-GFCCVEGCSA-N 0 3 250.342 2.016 10 0 CEAEHN CCCN(C)C[C@H](NC)c1ccc(OC)cc1OC ZINC000043885811 175116765 /nfs/dbraw/zinc/11/67/65/175116765.db2.gz BFNUOPMORARIOA-AWEZNQCLSA-N 0 3 266.385 2.306 10 0 CEAEHN CCCN(C)C[C@@H](NC)c1ccc2c(c1)OCO2 ZINC000043885876 175117083 /nfs/dbraw/zinc/11/70/83/175117083.db2.gz ZHCCKLIGHCPBMF-GFCCVEGCSA-N 0 3 250.342 2.018 10 0 CEAEHN CCN[C@@H](CN1CCOC[C@@H]1C)c1ccccc1OCC ZINC000043891536 175118118 /nfs/dbraw/zinc/11/81/18/175118118.db2.gz NMIISCUAAAHQSC-HOCLYGCPSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N(C)Cc1ccccn1 ZINC000043894374 175119299 /nfs/dbraw/zinc/11/92/99/175119299.db2.gz VCHIHWQGJOYRPL-WBVHZDCISA-N 0 3 283.375 2.235 10 0 CEAEHN CCN[C@@H](CN1CCOC(C)(C)C1)c1cccc(OC)c1 ZINC000043897874 175120275 /nfs/dbraw/zinc/12/02/75/175120275.db2.gz DGMZNXVIXRDULQ-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N1CCOC(C)(C)C1 ZINC000043897925 175120672 /nfs/dbraw/zinc/12/06/72/175120672.db2.gz OZBBHTATHIJUDM-HOCLYGCPSA-N 0 3 290.407 2.209 10 0 CEAEHN CCOC1CCN(C[C@@H](NC)c2ccccc2OC)CC1 ZINC000043906940 175122451 /nfs/dbraw/zinc/12/24/51/175122451.db2.gz BBBVERXZAHWVKU-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@H](CN1CCOCC1(C)C)c1ccccc1OC ZINC000043916646 175125497 /nfs/dbraw/zinc/12/54/97/175125497.db2.gz DDJCMJLWNZUIHB-CQSZACIVSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@@H](CN(CCOC)C1CC1)c1ccc(OC)cc1 ZINC000043969681 175130382 /nfs/dbraw/zinc/13/03/82/175130382.db2.gz VTGHMOZKGAIUIQ-INIZCTEOSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN1CCN(C[C@@H](O)c2c(C)cc(C)cc2C)CC1 ZINC000044114500 175141833 /nfs/dbraw/zinc/14/18/33/175141833.db2.gz IELSCHCETKOWSG-MRXNPFEDSA-N 0 3 276.424 2.283 10 0 CEAEHN C[C@@H](CN1CCCC1=O)N[C@H]1CCCc2cc(O)ccc21 ZINC000044747390 175243129 /nfs/dbraw/zinc/24/31/29/175243129.db2.gz IODGUQDFIYYSJM-LRDDRELGSA-N 0 3 288.391 2.370 10 0 CEAEHN CC1(NS(=O)(=O)c2ccccc2CN)CCCCC1 ZINC000045046339 175296332 /nfs/dbraw/zinc/29/63/32/175296332.db2.gz UBSYXRSKRSDKDN-UHFFFAOYSA-N 0 3 282.409 2.146 10 0 CEAEHN C[C@H](N)c1cccc(S(=O)(=O)N(C)CC(C)(C)C)c1 ZINC000045089927 175305477 /nfs/dbraw/zinc/30/54/77/175305477.db2.gz OZPAQXQXOMLPNH-NSHDSACASA-N 0 3 284.425 2.373 10 0 CEAEHN C[C@H](CNCc1nc2cc(Cl)ccc2c(=O)[nH]1)N(C)C ZINC000045107659 175308175 /nfs/dbraw/zinc/30/81/75/175308175.db2.gz WBFMJSPBPAGGQQ-SECBINFHSA-N 0 3 294.786 2.029 10 0 CEAEHN Nc1nc2ccccc2n1CCCCn1ccnc1 ZINC000045108604 175309037 /nfs/dbraw/zinc/30/90/37/175309037.db2.gz NBGGXCKYDKAZEK-UHFFFAOYSA-N 0 3 255.325 2.295 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NC[C@H](O)c1ccccc1 ZINC000045169698 175320718 /nfs/dbraw/zinc/32/07/18/175320718.db2.gz YGGJATLJNZDVIR-ABAIWWIYSA-N 0 3 273.380 2.421 10 0 CEAEHN CCOC(=O)[C@@](N)(CN1CCC[C@@H]1CC)c1ccccc1 ZINC000045221069 175330371 /nfs/dbraw/zinc/33/03/71/175330371.db2.gz YGVDIUKUMQXWIS-DOTOQJQBSA-N 0 3 290.407 2.278 10 0 CEAEHN CC[N@H+](CC[C@](C)(NC)C(=O)[O-])C1CCCCC1 ZINC000045224099 175332219 /nfs/dbraw/zinc/33/22/19/175332219.db2.gz ZRHVHXODQXORRR-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CC[N@@H+](CC[C@](C)(NC)C(=O)[O-])C1CCCCC1 ZINC000045224099 175332220 /nfs/dbraw/zinc/33/22/20/175332220.db2.gz ZRHVHXODQXORRR-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CN[C@](CN(C)C1CCCC1)(C(=O)OC)c1ccccc1 ZINC000045266069 175338992 /nfs/dbraw/zinc/33/89/92/175338992.db2.gz KJFRSSRFYCWFOE-KRWDZBQOSA-N 0 3 290.407 2.149 10 0 CEAEHN CCCN[C@@](C)(CN1CCCC[C@@H]1CC)C(=O)OC ZINC000045265849 175339262 /nfs/dbraw/zinc/33/92/62/175339262.db2.gz UQBYARSRSIHDSK-ZFWWWQNUSA-N 0 3 270.417 2.182 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269259 175340975 /nfs/dbraw/zinc/34/09/75/175340975.db2.gz FLFDXAMGXULLQG-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269259 175340976 /nfs/dbraw/zinc/34/09/76/175340976.db2.gz FLFDXAMGXULLQG-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@H](CN(C)C1CCCCC1)C(=O)OCC ZINC000045379011 175368310 /nfs/dbraw/zinc/36/83/10/175368310.db2.gz DFQUHTNYYJWQHY-CQSZACIVSA-N 0 3 270.417 2.182 10 0 CEAEHN CCOc1ccc(N[C@@H]2CCN(C)C2)cc1OC ZINC000061986050 175660159 /nfs/dbraw/zinc/66/01/59/175660159.db2.gz PSWAYTJOPSCYPF-GFCCVEGCSA-N 0 3 250.342 2.210 10 0 CEAEHN COCCOCCOc1ccc(OC)cc1CNC(C)C ZINC000070480299 175952126 /nfs/dbraw/zinc/95/21/26/175952126.db2.gz XDFOFYMALZIXDD-UHFFFAOYSA-N 0 3 297.395 2.235 10 0 CEAEHN Cc1ncc(CNC2=NC[C@@H](C3CC3)S2)s1 ZINC000070888434 176010054 /nfs/dbraw/zinc/01/00/54/176010054.db2.gz ZYBPGLOMMBGJAI-JTQLQIEISA-N 0 3 253.396 2.423 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000070987222 176018337 /nfs/dbraw/zinc/01/83/37/176018337.db2.gz GYHKJSJDZFKJOU-JSGCOSHPSA-N 0 3 266.291 2.118 10 0 CEAEHN CCc1ccccc1[C@@H]1[C@@H](N)CCC(=O)N1C1CC1 ZINC000070987078 176018595 /nfs/dbraw/zinc/01/85/95/176018595.db2.gz OLGYAJLSEGBEBM-GOEBONIOSA-N 0 3 258.365 2.402 10 0 CEAEHN Cc1ccc(N2CC[C@H](NC(C)C)C2=O)cc1F ZINC000071033022 176023524 /nfs/dbraw/zinc/02/35/24/176023524.db2.gz YKRYHUMJXBMXLO-ZDUSSCGKSA-N 0 3 250.317 2.237 10 0 CEAEHN CCN[C@@H]1CCCN(c2nc(C(C)C)cs2)C1=O ZINC000071033801 176024146 /nfs/dbraw/zinc/02/41/46/176024146.db2.gz XBFRNOCLOFRKGO-SNVBAGLBSA-N 0 3 267.398 2.371 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1cccc2cccnc21 ZINC000071037587 176026689 /nfs/dbraw/zinc/02/66/89/176026689.db2.gz NDAAVOGZARDADW-ZDUSSCGKSA-N 0 3 267.332 2.092 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1[C@@H]1CCOc2ccccc21 ZINC000071043269 176029040 /nfs/dbraw/zinc/02/90/40/176029040.db2.gz HOOOMIAMXBDNSD-LSDHHAIUSA-N 0 3 286.375 2.253 10 0 CEAEHN C[C@@H](C1CCCC1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071043963 176029761 /nfs/dbraw/zinc/02/97/61/176029761.db2.gz LFUYUOOJFSYHGW-SMDDNHRTSA-N 0 3 250.386 2.308 10 0 CEAEHN Cc1nn(C[C@@H]2OCCc3ccccc32)c(C)c1CN ZINC000071092272 176031852 /nfs/dbraw/zinc/03/18/52/176031852.db2.gz MRMKJKNHOQCWQW-INIZCTEOSA-N 0 3 271.364 2.273 10 0 CEAEHN CCNCc1nccn1C[C@H]1OCCc2ccccc21 ZINC000071092284 176031921 /nfs/dbraw/zinc/03/19/21/176031921.db2.gz KMFKBUGCTQSXEU-OAHLLOKOSA-N 0 3 271.364 2.307 10 0 CEAEHN CC[C@@H]1CCC[C@@H](N2CCN([C@@H](C)C(N)=S)CC2)C1 ZINC000071148239 176043957 /nfs/dbraw/zinc/04/39/57/176043957.db2.gz CJUHWYJQHWQWKU-BFHYXJOUSA-N 0 3 283.485 2.247 10 0 CEAEHN CC[C@H]1CCC[C@H](N2CCN([C@@H](C)C(N)=S)CC2)C1 ZINC000071148237 176043991 /nfs/dbraw/zinc/04/39/91/176043991.db2.gz CJUHWYJQHWQWKU-IHRRRGAJSA-N 0 3 283.485 2.247 10 0 CEAEHN NC[C@@H](Oc1cc(F)ccc1F)c1ccccn1 ZINC000071167110 176049515 /nfs/dbraw/zinc/04/95/15/176049515.db2.gz VNRKXJNEVINOMV-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN CN[C@H](C)c1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071183089 176058607 /nfs/dbraw/zinc/05/86/07/176058607.db2.gz XDIURKZKOPLBQB-RNCFNFMXSA-N 0 3 282.771 2.230 10 0 CEAEHN CC(C)[C@H](N[C@@H]1CCN(C)C1=O)c1cccs1 ZINC000071183736 176058820 /nfs/dbraw/zinc/05/88/20/176058820.db2.gz CRPKEVKFGQPBCD-PWSUYJOCSA-N 0 3 252.383 2.266 10 0 CEAEHN Cc1ccc(CN)c(N[C@@H](CO)Cc2ccccc2)c1 ZINC000071187513 176060725 /nfs/dbraw/zinc/06/07/25/176060725.db2.gz NUYXJPBNFSPGSF-MRXNPFEDSA-N 0 3 270.376 2.469 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)C(=O)c1c[nH]c2ccccc12 ZINC000071192943 176074480 /nfs/dbraw/zinc/07/44/80/176074480.db2.gz FLKZQLNQLRMZSB-LBPRGKRZSA-N 0 3 271.364 2.192 10 0 CEAEHN CC(C)c1ccc(CN2CCCN(CCO)CC2)cc1 ZINC000071350282 176134256 /nfs/dbraw/zinc/13/42/56/176134256.db2.gz SYYNXRVMFFVJFW-UHFFFAOYSA-N 0 3 276.424 2.310 10 0 CEAEHN CN(CCNc1ccccc1S(C)(=O)=O)C1CCCC1 ZINC000071377593 176143072 /nfs/dbraw/zinc/14/30/72/176143072.db2.gz FLDFMXPLYGQBGZ-UHFFFAOYSA-N 0 3 296.436 2.376 10 0 CEAEHN CCC[C@@H](C)NC(=O)COc1ccc(C)cc1CNC ZINC000071403454 176154638 /nfs/dbraw/zinc/15/46/38/176154638.db2.gz WQVUZCLWSVDGHZ-CYBMUJFWSA-N 0 3 278.396 2.398 10 0 CEAEHN Brc1ccc(CC[C@@H]2COCCN2)cc1 ZINC000071601305 176228364 /nfs/dbraw/zinc/22/83/64/176228364.db2.gz HIBJTEDDXAJNJV-GFCCVEGCSA-N 0 3 270.170 2.370 10 0 CEAEHN OCC[C@H]1CCCCN1Cc1cnc2ccccc2n1 ZINC000659879957 415756005 /nfs/dbraw/zinc/75/60/05/415756005.db2.gz ZOGDCYCYHMLJHP-CQSZACIVSA-N 0 3 271.364 2.367 10 0 CEAEHN O[C@]12CCCC[C@@H]1CN(CCO[C@@H]1CC1(F)F)CC2 ZINC000660013187 415851930 /nfs/dbraw/zinc/85/19/30/415851930.db2.gz POHWOEAFWQGZDQ-UPJWGTAASA-N 0 3 275.339 2.038 10 0 CEAEHN CC(C)NCc1ccc(OCCO)cc1Br ZINC000078302375 177331701 /nfs/dbraw/zinc/33/17/01/177331701.db2.gz QPTMMMPJVIKQKL-UHFFFAOYSA-N 0 3 288.185 2.318 10 0 CEAEHN COCc1cccc(Oc2c(CN)c(C)nn2C)c1 ZINC000078449653 177342660 /nfs/dbraw/zinc/34/26/60/177342660.db2.gz ZXMKIMPSPLDMQH-UHFFFAOYSA-N 0 3 261.325 2.126 10 0 CEAEHN COCCN(CCOC)Cc1ccc(N)c(Cl)c1 ZINC000078896965 177402999 /nfs/dbraw/zinc/40/29/99/177402999.db2.gz UJPKBWPLQQJXRN-UHFFFAOYSA-N 0 3 272.776 2.017 10 0 CEAEHN C[C@@]1(C(=O)N2CCC3(CC3(F)F)CC2)CCCCN1 ZINC000405108571 419401183 /nfs/dbraw/zinc/40/11/83/419401183.db2.gz MGGQFTWMPJPDRZ-LBPRGKRZSA-N 0 3 272.339 2.166 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC[C@@H]2CC=CCC2)C1 ZINC000250111826 270328043 /nfs/dbraw/zinc/32/80/43/270328043.db2.gz LQDXTZDNLYOZFX-KGLIPLIRSA-N 0 3 265.401 2.126 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000179247458 261774670 /nfs/dbraw/zinc/77/46/70/261774670.db2.gz JILOEZTWGXGTFQ-SMDDNHRTSA-N 0 3 291.395 2.092 10 0 CEAEHN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@@H](c1ccccc1)N(C)C ZINC000187178066 270253584 /nfs/dbraw/zinc/25/35/84/270253584.db2.gz FCCJGCQIOIDPCA-CLWVCHIJSA-N 0 3 290.407 2.362 10 0 CEAEHN CCC[C@H](C)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000187683204 270255479 /nfs/dbraw/zinc/25/54/79/270255479.db2.gz AHTABKNTOMAVDM-QWHCGFSZSA-N 0 3 280.416 2.499 10 0 CEAEHN Cc1ccc(CN(C)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000194319689 270296762 /nfs/dbraw/zinc/29/67/62/270296762.db2.gz NEAVOZRSSJSJRX-WFASDCNBSA-N 0 3 293.411 2.458 10 0 CEAEHN CCOc1ncccc1NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000194342055 270297499 /nfs/dbraw/zinc/29/74/99/270297499.db2.gz UTDXELPQOMKDDL-GFCCVEGCSA-N 0 3 292.383 2.086 10 0 CEAEHN Cc1csc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n1 ZINC000398713285 270361093 /nfs/dbraw/zinc/36/10/93/270361093.db2.gz PJGVQVNJKWVHAB-SDDRHHMPSA-N 0 3 252.383 2.044 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1ccc(F)c(F)c1 ZINC000398968267 270365343 /nfs/dbraw/zinc/36/53/43/270365343.db2.gz SWAWOFRMETZWRL-ISVAXAHUSA-N 0 3 268.307 2.269 10 0 CEAEHN COc1c(C)cnc(CN2C[C@H](O)CC[C@@H]2C)c1C ZINC000399160212 270366525 /nfs/dbraw/zinc/36/65/25/270366525.db2.gz BPPUBOPDCJBIGR-WCQYABFASA-N 0 3 264.369 2.052 10 0 CEAEHN CCC[C@@H](C(=O)NCCC[C@H]1CCCCO1)N(C)C ZINC000183431974 276020908 /nfs/dbraw/zinc/02/09/08/276020908.db2.gz KENDZEVVFSGHOU-KGLIPLIRSA-N 0 3 270.417 2.182 10 0 CEAEHN CC1(C)CCCC[C@@H]1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000176797380 276103224 /nfs/dbraw/zinc/10/32/24/276103224.db2.gz MTTQPPIBHBDFKB-KGLIPLIRSA-N 0 3 279.428 2.445 10 0 CEAEHN CN1C(=O)C[C@H](NCCc2nccs2)c2ccccc21 ZINC000063133901 277014519 /nfs/dbraw/zinc/01/45/19/277014519.db2.gz UXLBUMKGTBPAKZ-LBPRGKRZSA-N 0 3 287.388 2.383 10 0 CEAEHN CC(C)(C)OC(=O)CCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000131938106 277176620 /nfs/dbraw/zinc/17/66/20/277176620.db2.gz BBKQPFRTOIIORK-CJNGLKHVSA-N 0 3 283.412 2.345 10 0 CEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000120522709 277393917 /nfs/dbraw/zinc/39/39/17/277393917.db2.gz FKUZPPRXGRVXGS-IIAWOOMASA-N 0 3 294.439 2.228 10 0 CEAEHN COc1ccc([C@@H](NC[C@@H]2CN(C)CCO2)C2CC2)cc1 ZINC000223335322 277426740 /nfs/dbraw/zinc/42/67/40/277426740.db2.gz DSURFNSAWGJXEP-SJORKVTESA-N 0 3 290.407 2.067 10 0 CEAEHN COc1ccc2c(c1)[C@H](N[C@H]1CCCOC1)CCO2 ZINC000103961266 277992437 /nfs/dbraw/zinc/99/24/37/277992437.db2.gz UCEARDPMEDCJOY-SMDDNHRTSA-N 0 3 263.337 2.287 10 0 CEAEHN CS[C@H](C)CN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000163577071 278159344 /nfs/dbraw/zinc/15/93/44/278159344.db2.gz JNWNNKCSUIPMJG-PWSUYJOCSA-N 0 3 264.394 2.435 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000263481620 279059363 /nfs/dbraw/zinc/05/93/63/279059363.db2.gz GKGAIDWIVNBBLJ-WXRRBKDZSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2CCCC2(C)C)C1 ZINC000263481620 279059364 /nfs/dbraw/zinc/05/93/64/279059364.db2.gz GKGAIDWIVNBBLJ-WXRRBKDZSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2CCCC2(C)C)C1 ZINC000263481620 279059365 /nfs/dbraw/zinc/05/93/65/279059365.db2.gz GKGAIDWIVNBBLJ-WXRRBKDZSA-N 0 3 268.401 2.092 10 0 CEAEHN CCN(CC)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116211464 279087602 /nfs/dbraw/zinc/08/76/02/279087602.db2.gz ZPUGWLRORFIYSJ-LBPRGKRZSA-N 0 3 250.342 2.285 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](OC)c1ccccc1 ZINC000245436559 279299327 /nfs/dbraw/zinc/29/93/27/279299327.db2.gz VFHMELIRDNBOSX-CVEARBPZSA-N 0 3 290.407 2.317 10 0 CEAEHN CCc1cc(C(=O)N2CC[C@H](N(C)C)C2)oc1CC ZINC000121255235 279767514 /nfs/dbraw/zinc/76/75/14/279767514.db2.gz MQGSOCVNLYWKBR-LBPRGKRZSA-N 0 3 264.369 2.181 10 0 CEAEHN CC[C@@H]1CCC[C@@H](CN2CCCNC(=O)[C@@H]2C)C1 ZINC000189093950 280143209 /nfs/dbraw/zinc/14/32/09/280143209.db2.gz APCDDKVIRLGGHW-BFHYXJOUSA-N 0 3 252.402 2.413 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000247497723 280332062 /nfs/dbraw/zinc/33/20/62/280332062.db2.gz XIFFUPJOUGHSNL-JOYOIKCWSA-N 0 3 269.776 2.127 10 0 CEAEHN Cc1ccc(CCCN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000248445764 280347323 /nfs/dbraw/zinc/34/73/23/280347323.db2.gz GPZIPUAOCLVCQG-DLBZAZTESA-N 0 3 290.451 2.315 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000248490496 280350260 /nfs/dbraw/zinc/35/02/60/280350260.db2.gz NMYAIGAGYFLZRI-BZUAXINKSA-N 0 3 277.412 2.410 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000282244837 288839037 /nfs/dbraw/zinc/83/90/37/288839037.db2.gz GEXAOCFNUIVURV-CABZTGNLSA-N 0 3 286.297 2.462 10 0 CEAEHN COCCN1CCN(CCc2ccc(F)c(F)c2)C[C@H]1C ZINC000152049528 289075546 /nfs/dbraw/zinc/07/55/46/289075546.db2.gz FNDWUROLRZJMSG-CYBMUJFWSA-N 0 3 298.377 2.160 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(N(C)C)c1 ZINC000152564591 289092834 /nfs/dbraw/zinc/09/28/34/289092834.db2.gz HYZCFXWRMLOQQR-OAHLLOKOSA-N 0 3 291.439 2.459 10 0 CEAEHN CCC[C@@H](C(=O)NCC(CC)(CC)CCO)N(C)C ZINC000155699434 289180652 /nfs/dbraw/zinc/18/06/52/289180652.db2.gz IQUSDJXBZSRIGQ-ZDUSSCGKSA-N 0 3 272.433 2.022 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c([O-])c1 ZINC000155425576 289173958 /nfs/dbraw/zinc/17/39/58/289173958.db2.gz PHDDFCBDHYSLRW-GXTWGEPZSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c([O-])c1 ZINC000155425576 289173961 /nfs/dbraw/zinc/17/39/61/289173961.db2.gz PHDDFCBDHYSLRW-GXTWGEPZSA-N 0 3 276.380 2.159 10 0 CEAEHN COc1c(CN2C[C@H](C)C[C@@H](C)C2)c(C)nn1C ZINC000158015695 289226485 /nfs/dbraw/zinc/22/64/85/289226485.db2.gz LLODLYBYZVYOJZ-GHMZBOCLSA-N 0 3 251.374 2.215 10 0 CEAEHN COC(=O)c1c(C)c2c(CN)nsc2nc1C(C)C ZINC000536955371 330383075 /nfs/dbraw/zinc/38/30/75/330383075.db2.gz SBGXLKMLHBVSTN-UHFFFAOYSA-N 0 3 279.365 2.368 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000061290311 519907308 /nfs/dbraw/zinc/90/73/08/519907308.db2.gz IFQLOJHAOXHXSG-UHFFFAOYSA-N 0 3 277.368 2.280 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1O[C@H](CC)C(N)=O ZINC000061675927 520175674 /nfs/dbraw/zinc/17/56/74/520175674.db2.gz VLVSEKKNOPXZOT-DGCLKSJQSA-N 0 3 264.369 2.308 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1OC[C@@H](O)COCC ZINC000069275544 520176170 /nfs/dbraw/zinc/17/61/70/520176170.db2.gz VEAOPWIECVBFSK-KGLIPLIRSA-N 0 3 281.396 2.442 10 0 CEAEHN CCN(CC)CCN[C@@]1(C(=O)OC)CC[C@H](C)C[C@@H]1C ZINC000068631287 520690383 /nfs/dbraw/zinc/69/03/83/520690383.db2.gz YCXAKOBQOKOBHJ-DZKIICNBSA-N 0 3 284.444 2.286 10 0 CEAEHN CCOC(=O)[C@@](CN(CC)CC)(NC(C)C)C1CC1 ZINC000069093685 521166429 /nfs/dbraw/zinc/16/64/29/521166429.db2.gz ZFQPJLCRFVIGMP-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCOC(=O)[C@](CN(C)CC1CC1)(NC(C)C)C1CC1 ZINC000069100750 521337814 /nfs/dbraw/zinc/33/78/14/521337814.db2.gz CIZCXPARRMRPCN-MRXNPFEDSA-N 0 3 282.428 2.038 10 0 CEAEHN CCCc1nc(N2CCOCC2(C)C)sc1CNC ZINC000055001907 521532518 /nfs/dbraw/zinc/53/25/18/521532518.db2.gz VSCIQKJYISVNAU-UHFFFAOYSA-N 0 3 283.441 2.430 10 0 CEAEHN CCCc1nc(N2CCN([C@H](C)CC)CC2)sc1CN ZINC000055076542 521532708 /nfs/dbraw/zinc/53/27/08/521532708.db2.gz WIBPMJGQABUMCN-GFCCVEGCSA-N 0 3 296.484 2.475 10 0 CEAEHN CCCc1nc(N2CCO[C@@H](CC)C2)sc1CNC ZINC000054997421 521533684 /nfs/dbraw/zinc/53/36/84/521533684.db2.gz VLFUGYAVGGCYDA-NSHDSACASA-N 0 3 283.441 2.430 10 0 CEAEHN CNCc1cc(C)ccc1OC[C@@H](O)C(F)(F)F ZINC000068878181 522102188 /nfs/dbraw/zinc/10/21/88/522102188.db2.gz MDWPXPYFRMINMB-LLVKDONJSA-N 0 3 263.259 2.016 10 0 CEAEHN CNCc1oc(CN2C[C@@H](C)OC(C)(C)C2)cc1C ZINC000052543658 522159838 /nfs/dbraw/zinc/15/98/38/522159838.db2.gz CQLQHLDFMQTLKP-GFCCVEGCSA-N 0 3 266.385 2.307 10 0 CEAEHN CNCc1oc(CN2C[C@H](C)OC(C)(C)C2)cc1C ZINC000052543657 522160365 /nfs/dbraw/zinc/16/03/65/522160365.db2.gz CQLQHLDFMQTLKP-LBPRGKRZSA-N 0 3 266.385 2.307 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccc(OC)c(C)c1 ZINC000049532034 522227574 /nfs/dbraw/zinc/22/75/74/522227574.db2.gz KORVLQJMTMAAFZ-LLVKDONJSA-N 0 3 250.342 2.330 10 0 CEAEHN CC[C@H](NC)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052295447 522556545 /nfs/dbraw/zinc/55/65/45/522556545.db2.gz OQOXDIONPRKPSS-BPNCWPANSA-N 0 3 282.409 2.044 10 0 CEAEHN CC(C)N(CC(F)(F)F)c1ncc(CN)s1 ZINC000054896508 519638921 /nfs/dbraw/zinc/63/89/21/519638921.db2.gz VNCOUTKWWBNCDM-UHFFFAOYSA-N 0 3 253.293 2.379 10 0 CEAEHN CC(C)CN(CC(C)C)S(=O)(=O)C[C@H]1CCCCN1 ZINC000049631251 519713406 /nfs/dbraw/zinc/71/34/06/519713406.db2.gz LGAGZMWDXDDYCA-CQSZACIVSA-N 0 3 290.473 2.072 10 0 CEAEHN CC(C)NC(=O)[C@H](CN)Cc1ccc2ccccc2c1 ZINC000050304184 519715591 /nfs/dbraw/zinc/71/55/91/519715591.db2.gz LPAYIYYPTKHJOW-INIZCTEOSA-N 0 3 270.376 2.482 10 0 CEAEHN CC(C)NCc1occc1CN1CCSCC1 ZINC000052425566 519730384 /nfs/dbraw/zinc/73/03/84/519730384.db2.gz FTRPFXDLUYFQSL-UHFFFAOYSA-N 0 3 254.399 2.326 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccc(Cl)cc1F ZINC000054762699 519748703 /nfs/dbraw/zinc/74/87/03/519748703.db2.gz LMJOWBLNZHQDAY-UHFFFAOYSA-N 0 3 283.738 2.200 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)N[C@H](C)C(=O)NC1CCCCC1 ZINC000049555898 519775906 /nfs/dbraw/zinc/77/59/06/519775906.db2.gz GRJDQAITMJVQBQ-ZBFHGGJFSA-N 0 3 297.487 2.390 10 0 CEAEHN CC(C)Oc1cccc(C(=O)N2[C@H](C)CNC[C@H]2C)c1 ZINC000069132907 519782478 /nfs/dbraw/zinc/78/24/78/519782478.db2.gz HAPSZTVDOFGSGL-CHWSQXEVSA-N 0 3 276.380 2.296 10 0 CEAEHN CC(C)[C@@H](CN(C)C)N[C@H](c1ccco1)c1nccn1C ZINC000049198438 519793940 /nfs/dbraw/zinc/79/39/40/519793940.db2.gz KOLSFXXTTVXLOA-UKRRQHHQSA-N 0 3 290.411 2.278 10 0 CEAEHN CC(C)[C@@H](NC[C@@H]1CN(C)CCN1C)c1cccs1 ZINC000068802618 519799172 /nfs/dbraw/zinc/79/91/72/519799172.db2.gz BNADLJDSOZRPGB-UKRRQHHQSA-N 0 3 281.469 2.281 10 0 CEAEHN CC(C)[C@H]1CCC(=O)[C@@H](CN2CCC(O)CC2)C1 ZINC000054558831 519824376 /nfs/dbraw/zinc/82/43/76/519824376.db2.gz XWVBRSCMCZDRCT-QWHCGFSZSA-N 0 3 253.386 2.085 10 0 CEAEHN CC(C)[C@H]1CCc2nc(N3CCNCC3)sc2C1 ZINC000054556888 519826098 /nfs/dbraw/zinc/82/60/98/519826098.db2.gz ZKXHRDCEOHDCBH-NSHDSACASA-N 0 3 265.426 2.314 10 0 CEAEHN CCCNC(=O)COc1cc(F)ccc1[C@H](C)NCC ZINC000062747123 519881086 /nfs/dbraw/zinc/88/10/86/519881086.db2.gz JOPRRWPLLHKXCL-NSHDSACASA-N 0 3 282.359 2.401 10 0 CEAEHN CCNCc1cc(CN(CCCOC)CCOC)oc1C ZINC000052543235 519988363 /nfs/dbraw/zinc/98/83/63/519988363.db2.gz JHSRXOORKGORLJ-UHFFFAOYSA-N 0 3 298.427 2.182 10 0 CEAEHN CCNCc1cc(CN(C)[C@@H](C)COC)oc1C ZINC000052511466 519988787 /nfs/dbraw/zinc/98/87/87/519988787.db2.gz JEONLJRIPZMZTF-NSHDSACASA-N 0 3 254.374 2.164 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OC[C@@H](O)COC ZINC000069053938 519988976 /nfs/dbraw/zinc/98/89/76/519988976.db2.gz SAXFQICRCQNPSB-AAEUAGOBSA-N 0 3 285.359 2.272 10 0 CEAEHN CCNCc1cc(CN2CCOC[C@H]2CC)c(C)o1 ZINC000052481629 519991139 /nfs/dbraw/zinc/99/11/39/519991139.db2.gz DHQPUXVYUPGRCO-CQSZACIVSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCN[C@@H](CCOc1ccccc1OCCC)C(N)=O ZINC000062544582 520003563 /nfs/dbraw/zinc/00/35/63/520003563.db2.gz MTQPIKGPAIQFHB-ZDUSSCGKSA-N 0 3 294.395 2.098 10 0 CEAEHN CCCN[C@@H](CCOc1c(C)cc(C)cc1C)C(N)=O ZINC000062541314 520003848 /nfs/dbraw/zinc/00/38/48/520003848.db2.gz SFZYWWYYGJLDDT-AWEZNQCLSA-N 0 3 278.396 2.234 10 0 CEAEHN CCNCc1ccoc1Cn1nnc2ccccc21 ZINC000052576580 520012669 /nfs/dbraw/zinc/01/26/69/520012669.db2.gz BZCQNWNGRCRVLC-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CCCN[C@@H](CSCc1ccccc1C)C(N)=O ZINC000054964760 520013526 /nfs/dbraw/zinc/01/35/26/520013526.db2.gz ABBXJQCMDYJZEJ-ZDUSSCGKSA-N 0 3 266.410 2.082 10 0 CEAEHN CCNCc1cnc(-c2ccc(OC)c(OC)c2)nc1 ZINC000054855621 520015597 /nfs/dbraw/zinc/01/55/97/520015597.db2.gz SBJDNOSTPFPLEF-UHFFFAOYSA-N 0 3 273.336 2.270 10 0 CEAEHN CCNCc1nc(C(C)C)ncc1N(C)[C@@H](C)COC ZINC000051483017 520021586 /nfs/dbraw/zinc/02/15/86/520021586.db2.gz KSHXCWYXMMPHNV-LBPRGKRZSA-N 0 3 280.416 2.181 10 0 CEAEHN CCC[NH2+][C@@](C)(C[C@@H](C)N(CC1CC1)C1CC1)C(=O)[O-] ZINC000068648331 520040640 /nfs/dbraw/zinc/04/06/40/520040640.db2.gz ZXEIXMHJUOVVOB-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN CCCN[C@@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648331 520040644 /nfs/dbraw/zinc/04/06/44/520040644.db2.gz ZXEIXMHJUOVVOB-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN CCCN[C@@](C)(C[C@@H](C)[N@@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648331 520040649 /nfs/dbraw/zinc/04/06/49/520040649.db2.gz ZXEIXMHJUOVVOB-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN CCCN[C@@](COCCCC(C)C)(C(N)=O)C1CC1 ZINC000069195771 520054656 /nfs/dbraw/zinc/05/46/56/520054656.db2.gz VRXMCBPJZSJDBP-OAHLLOKOSA-N 0 3 270.417 2.073 10 0 CEAEHN CCN[C@@H](C)c1cc(C)ccc1O[C@@H](CC)C(N)=O ZINC000061675928 520073951 /nfs/dbraw/zinc/07/39/51/520073951.db2.gz VLVSEKKNOPXZOT-AAEUAGOBSA-N 0 3 264.369 2.308 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OC[C@@H](O)COCC ZINC000069276320 520074829 /nfs/dbraw/zinc/07/48/29/520074829.db2.gz DRDMVNUEEXHREN-KBPBESRZSA-N 0 3 281.396 2.442 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@H]1CCOC1=O ZINC000062746958 520075895 /nfs/dbraw/zinc/07/58/95/520075895.db2.gz DWWJODCXDSYCNB-CABZTGNLSA-N 0 3 267.300 2.191 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1OCC)[C@H]1COCCO1 ZINC000055301432 520107372 /nfs/dbraw/zinc/10/73/72/520107372.db2.gz RLEFWSXZMKGCRC-CVEARBPZSA-N 0 3 279.380 2.460 10 0 CEAEHN CCN[C@@H](c1ccc(Cl)s1)[C@@H]1COCCO1 ZINC000055300153 520110494 /nfs/dbraw/zinc/11/04/94/520110494.db2.gz KOMCAIXWMZSGRX-GZMMTYOYSA-N 0 3 261.774 2.468 10 0 CEAEHN CCN[C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCCO1 ZINC000050962046 520111653 /nfs/dbraw/zinc/11/16/53/520111653.db2.gz XMPGRSYTIQOFJD-KGLIPLIRSA-N 0 3 275.352 2.076 10 0 CEAEHN CCN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702650 520116191 /nfs/dbraw/zinc/11/61/91/520116191.db2.gz KTUAHBHUMDULOT-KGLIPLIRSA-N 0 3 267.394 2.381 10 0 CEAEHN CCN[C@@H]1COc2cc(OCCn3ccnc3C)ccc21 ZINC000062804561 520123662 /nfs/dbraw/zinc/12/36/62/520123662.db2.gz ZFNUFXIBXHMYPW-OAHLLOKOSA-N 0 3 287.363 2.314 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3ccno3)ccc21 ZINC000062804653 520124866 /nfs/dbraw/zinc/12/48/66/520124866.db2.gz AHJIWWOOZGQROJ-CYBMUJFWSA-N 0 3 260.293 2.297 10 0 CEAEHN CCCCCC[C@H](C)OCC[C@H](NCC)C(N)=O ZINC000062542700 520132984 /nfs/dbraw/zinc/13/29/84/520132984.db2.gz IHUNNVRYKTWELU-STQMWFEESA-N 0 3 258.406 2.215 10 0 CEAEHN CCN[C@H](Cn1ncccc1=O)c1cc(C)ccc1C ZINC000061402107 520205453 /nfs/dbraw/zinc/20/54/53/520205453.db2.gz OOIZXWQVUBRILM-OAHLLOKOSA-N 0 3 271.364 2.211 10 0 CEAEHN CCN[C@](C)(CCCN1Cc2ccccc2C1)C(=O)OC ZINC000050912270 520227168 /nfs/dbraw/zinc/22/71/68/520227168.db2.gz JTGBWSQBPVAMBT-QGZVFWFLSA-N 0 3 290.407 2.324 10 0 CEAEHN CCNc1c(F)cccc1C(=O)N1CCC[C@H]1CN(C)C ZINC000061656076 520254783 /nfs/dbraw/zinc/25/47/83/520254783.db2.gz HOYPIXJOIBCCBJ-LBPRGKRZSA-N 0 3 293.386 2.424 10 0 CEAEHN CCNc1ccccc1C(=O)NC[C@@H]1CCCCN1C ZINC000050777811 520338073 /nfs/dbraw/zinc/33/80/73/520338073.db2.gz LAQQNQJLIYEQRO-ZDUSSCGKSA-N 0 3 275.396 2.333 10 0 CEAEHN CCN(CC(F)(F)F)C(=O)[C@@H](CN)c1ccccc1 ZINC000061613004 520416505 /nfs/dbraw/zinc/41/65/05/520416505.db2.gz OXJPWBJLOZVZGI-NSHDSACASA-N 0 3 274.286 2.140 10 0 CEAEHN CCCOc1ccc([C@@](O)(CN)C(F)(F)F)cc1 ZINC000062784633 520423940 /nfs/dbraw/zinc/42/39/40/520423940.db2.gz UQIUKLZBQITTRV-NSHDSACASA-N 0 3 263.259 2.184 10 0 CEAEHN CCCOc1ccccc1OCC[C@@H](NC(C)C)C(N)=O ZINC000062544630 520483342 /nfs/dbraw/zinc/48/33/42/520483342.db2.gz AWDQJRWTJWFMSH-CYBMUJFWSA-N 0 3 294.395 2.096 10 0 CEAEHN CC1(C)CN(c2cc(Cl)ccc2CN)CCO1 ZINC000062786853 520495111 /nfs/dbraw/zinc/49/51/11/520495111.db2.gz LEBYXPFDYMOSHK-UHFFFAOYSA-N 0 3 254.761 2.414 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745771 520536885 /nfs/dbraw/zinc/53/68/85/520536885.db2.gz HLFSLSCXRQYVEJ-QWRGUYRKSA-N 0 3 282.359 2.481 10 0 CEAEHN CCC[C@@H](C)N(C)C[C@](NC)(C(=O)OCC)C1CC1 ZINC000069100231 520646292 /nfs/dbraw/zinc/64/62/92/520646292.db2.gz SYOLWKMTCSCBFY-IUODEOHRSA-N 0 3 270.417 2.038 10 0 CEAEHN CCC[C@@H](CC)NS(=O)(=O)c1cccc2c1CCNC2 ZINC000050406159 520688779 /nfs/dbraw/zinc/68/87/79/520688779.db2.gz NDHGEOGQINRHBJ-CYBMUJFWSA-N 0 3 296.436 2.189 10 0 CEAEHN CCOC(=O)C[C@]1(N2CCOCC2)CCC[C@H](C)[C@@H]1C ZINC000068633925 520902698 /nfs/dbraw/zinc/90/26/98/520902698.db2.gz JYBHYDMZCQJDOH-OFQRWUPVSA-N 0 3 283.412 2.467 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555879 521054103 /nfs/dbraw/zinc/05/41/03/521054103.db2.gz CRLVCNXQMWRECB-KKUMJFAQSA-N 0 3 285.476 2.246 10 0 CEAEHN CCOc1ccc([C@H](CO[C@@H](C)COC)NC)cc1 ZINC000070207670 521264280 /nfs/dbraw/zinc/26/42/80/521264280.db2.gz VOBMBYGROREIHT-WFASDCNBSA-N 0 3 267.369 2.397 10 0 CEAEHN CCOC(=O)[C@](CN1CCCC(C)(C)C1)(NC)C1CC1 ZINC000069517107 521339652 /nfs/dbraw/zinc/33/96/52/521339652.db2.gz SGOSOYMVKVKWJY-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCOc1cccc(CNC(C)(C)C)c1OCCO ZINC000062732676 521360183 /nfs/dbraw/zinc/36/01/83/521360183.db2.gz IWJMWLKJNKHTIB-UHFFFAOYSA-N 0 3 267.369 2.345 10 0 CEAEHN CCCc1ccc([C@H](Cn2nc(C)ccc2=O)NC)cc1 ZINC000061810251 521418995 /nfs/dbraw/zinc/41/89/95/521418995.db2.gz YCYKZRLNEPVENC-INIZCTEOSA-N 0 3 285.391 2.465 10 0 CEAEHN CCCc1nc(N2C[C@H](C)OC[C@@H]2C)sc1CNC ZINC000054997294 521534054 /nfs/dbraw/zinc/53/40/54/521534054.db2.gz MKWUOHWKAJFJQT-QWRGUYRKSA-N 0 3 283.441 2.429 10 0 CEAEHN CCCC1N=NC(=S)N1[C@@H](C)CN1CCCC1 ZINC000049184515 521570420 /nfs/dbraw/zinc/57/04/20/521570420.db2.gz KJPPWWWGGMMZIV-JTQLQIEISA-N 0 3 254.403 2.176 10 0 CEAEHN CCCn1c(Sc2cccc(F)c2[C@@H](C)N)n[nH]c1=O ZINC000061595908 521636034 /nfs/dbraw/zinc/63/60/34/521636034.db2.gz FNKYJAHYLGYATO-MRVPVSSYSA-N 0 3 296.371 2.291 10 0 CEAEHN CCCn1cc(Cl)cc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069132897 521654159 /nfs/dbraw/zinc/65/41/59/521654159.db2.gz NNAYXNRYTSWGEE-QWRGUYRKSA-N 0 3 283.803 2.374 10 0 CEAEHN CCCN(CCN(C)C)Cc1cc(F)ccc1C(N)=S ZINC000069403110 521656486 /nfs/dbraw/zinc/65/64/86/521656486.db2.gz XZNRFJYFJGPHJZ-UHFFFAOYSA-N 0 3 297.443 2.234 10 0 CEAEHN CCN1CCC[C@H]1CNc1nc(Cl)nc(Cl)n1 ZINC000061518180 521659328 /nfs/dbraw/zinc/65/93/28/521659328.db2.gz WWWMZOLNQWPXMG-ZETCQYMHSA-N 0 3 276.171 2.075 10 0 CEAEHN COC(=O)c1cc(CNC[C@@H](C)CSC)oc1C ZINC000069440066 521857442 /nfs/dbraw/zinc/85/74/42/521857442.db2.gz WACAYHKRDGYFBL-SECBINFHSA-N 0 3 271.382 2.463 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000155524118 521944791 /nfs/dbraw/zinc/94/47/91/521944791.db2.gz PQYGZNRDQPHNKN-BPUTZDHNSA-N 0 3 292.423 2.250 10 0 CEAEHN CNC(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000061318886 521945063 /nfs/dbraw/zinc/94/50/63/521945063.db2.gz GNKNCRNNQVXNPP-UHFFFAOYSA-N 0 3 255.387 2.377 10 0 CEAEHN COCC[C@H](N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000052790701 521945290 /nfs/dbraw/zinc/94/52/90/521945290.db2.gz GTOFXMKOFYZLKU-VIFPVBQESA-N 0 3 277.151 2.296 10 0 CEAEHN CCc1ccccc1[C@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000052203313 521953226 /nfs/dbraw/zinc/95/32/26/521953226.db2.gz RSIZWNSVQUHPFN-ZENOOKHLSA-N 0 3 262.397 2.358 10 0 CEAEHN CNCc1cc(Cl)cc(Cl)c1OC[C@@H](O)COC ZINC000069053653 522111944 /nfs/dbraw/zinc/11/19/44/522111944.db2.gz HYIYHRPCMYEGNI-JTQLQIEISA-N 0 3 294.178 2.099 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@H](O)c2ccccc2OC)CC1 ZINC000055069817 522125154 /nfs/dbraw/zinc/12/51/54/522125154.db2.gz AUDUGHYKCKRZME-ZBFHGGJFSA-N 0 3 292.423 2.145 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(F)cc2N)CC1 ZINC000055066318 522133856 /nfs/dbraw/zinc/13/38/56/522133856.db2.gz OMRUTLSUTVZPRN-LLVKDONJSA-N 0 3 251.349 2.328 10 0 CEAEHN CNCc1ccoc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573085 522141533 /nfs/dbraw/zinc/14/15/33/522141533.db2.gz HJDXZLCUNVHDJU-UONOGXRCSA-N 0 3 264.369 2.142 10 0 CEAEHN CNCc1cnc(-n2cc(Cl)cn2)c(Cl)c1 ZINC000051492749 522146964 /nfs/dbraw/zinc/14/69/64/522146964.db2.gz NPULKDCIKUUPMN-UHFFFAOYSA-N 0 3 257.124 2.294 10 0 CEAEHN CNCc1oc(CN2CCN(C(C)(C)C)CC2)cc1C ZINC000052571725 522159545 /nfs/dbraw/zinc/15/95/45/522159545.db2.gz BGBKDZDWGUDXQU-UHFFFAOYSA-N 0 3 279.428 2.224 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1cc(C)ccc1OC)C(F)(F)F ZINC000062784631 522346784 /nfs/dbraw/zinc/34/67/84/522346784.db2.gz OXQWFLPZWXPQFA-NWDGAFQWSA-N 0 3 277.286 2.491 10 0 CEAEHN CN[C@@H](c1ccc(OC(C)C)cc1)[C@@H]1COCCO1 ZINC000055299621 522367991 /nfs/dbraw/zinc/36/79/91/522367991.db2.gz HWHKEQHHFPNUEI-GJZGRUSLSA-N 0 3 265.353 2.150 10 0 CEAEHN CN[C@@H](c1cc(OC)c(OC)cc1F)[C@H]1CCOC1 ZINC000061561007 522368199 /nfs/dbraw/zinc/36/81/99/522368199.db2.gz XSVMVZHGLMOHEG-LKFCYVNXSA-N 0 3 269.316 2.140 10 0 CEAEHN CCc1nc(N2CCOCC2(C)C)sc1CNC ZINC000055001892 522388035 /nfs/dbraw/zinc/38/80/35/522388035.db2.gz SARVUJFAELWTBY-UHFFFAOYSA-N 0 3 269.414 2.040 10 0 CEAEHN CCc1nc(N2C[C@H](C)OC(C)(C)C2)sc1CN ZINC000055000440 522390265 /nfs/dbraw/zinc/39/02/65/522390265.db2.gz VIWOMIQOFANHSF-VIFPVBQESA-N 0 3 269.414 2.168 10 0 CEAEHN CN[C@@H]1COc2cc(OCC3CCOCC3)ccc21 ZINC000062804031 522398689 /nfs/dbraw/zinc/39/86/89/522398689.db2.gz ADFBPFBKUDABLW-CQSZACIVSA-N 0 3 263.337 2.145 10 0 CEAEHN CN[C@@](CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)(C(N)=O)C1CC1 ZINC000069195935 522428894 /nfs/dbraw/zinc/42/88/94/522428894.db2.gz NYZCJSZHPHPULR-DPAVQSFQSA-N 0 3 296.455 2.317 10 0 CEAEHN CNc1ccc(C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000050788130 522590904 /nfs/dbraw/zinc/59/09/04/522590904.db2.gz BDMSUCHZPOQQHD-CYBMUJFWSA-N 0 3 275.396 2.333 10 0 CEAEHN COC[C@H](C)N(C)c1nc(C(C)(C)C)c(CN)s1 ZINC000054998791 522598914 /nfs/dbraw/zinc/59/89/14/522598914.db2.gz YOMGDWAXPIIRED-VIFPVBQESA-N 0 3 271.430 2.370 10 0 CEAEHN CNc1ccc(C)cc1C(=O)NC[C@H]1CCCCN1C ZINC000053003519 522603423 /nfs/dbraw/zinc/60/34/23/522603423.db2.gz GXNRYIRIYNZWDN-CYBMUJFWSA-N 0 3 275.396 2.251 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784730 522650816 /nfs/dbraw/zinc/65/08/16/522650816.db2.gz PTHOBYHQIACRIP-ZJUUUORDSA-N 0 3 269.213 2.452 10 0 CEAEHN CC[C@@H](N)c1cccc(S(=O)(=O)NC[C@@H](C)CC)c1 ZINC000054489168 522655313 /nfs/dbraw/zinc/65/53/13/522655313.db2.gz ZBZGZIBJVLHVBZ-SMDDNHRTSA-N 0 3 284.425 2.421 10 0 CEAEHN CC[C@@H](NC)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052295443 522806463 /nfs/dbraw/zinc/80/64/63/522806463.db2.gz OQOXDIONPRKPSS-ZLKJLUDKSA-N 0 3 282.409 2.044 10 0 CEAEHN CC[C@H](Oc1c(Cl)cc(Cl)cc1CNC)C(N)=O ZINC000061675942 522866711 /nfs/dbraw/zinc/86/67/11/522866711.db2.gz UBJGZHJWFOGYRT-JTQLQIEISA-N 0 3 291.178 2.356 10 0 CEAEHN CN(CCNc1cc(Cl)ccc1C(N)=S)C1CC1 ZINC000062788584 522870621 /nfs/dbraw/zinc/87/06/21/522870621.db2.gz RMDRYVNQVMLILN-UHFFFAOYSA-N 0 3 283.828 2.480 10 0 CEAEHN CC[C@@H](NS(=O)(=O)CCNC(C)C)C1CCCCC1 ZINC000052344046 522900402 /nfs/dbraw/zinc/90/04/02/522900402.db2.gz FRGBWFADESHRDY-CQSZACIVSA-N 0 3 290.473 2.263 10 0 CEAEHN CC[C@H]1CCCC[C@H]1OC[C@](NC1CC1)(C(N)=O)C1CC1 ZINC000069195868 523065492 /nfs/dbraw/zinc/06/54/92/523065492.db2.gz AGRJNYZTHTYFJQ-XGWLTEMNSA-N 0 3 294.439 2.358 10 0 CEAEHN CC[C@H]1CCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1 ZINC000068602960 523141044 /nfs/dbraw/zinc/14/10/44/523141044.db2.gz XILOCCPMIRCXAW-NOLJZWGESA-N 0 3 290.407 2.347 10 0 CEAEHN COCCCN(C)c1c(CNC(C)(C)C)c(C)nn1C ZINC000062738417 523231281 /nfs/dbraw/zinc/23/12/81/523231281.db2.gz IRDJNFXPAVXJBI-UHFFFAOYSA-N 0 3 282.432 2.089 10 0 CEAEHN CCn1c2ccc([C@@H](NC)[C@H]3CCCO3)cc2oc1=O ZINC000051363379 523271742 /nfs/dbraw/zinc/27/17/42/523271742.db2.gz QPULOBLUMIRTOW-TZMCWYRMSA-N 0 3 276.336 2.054 10 0 CEAEHN CC[C@H]1CN(c2ccc(Cl)cc2CN)CCO1 ZINC000052856760 523305436 /nfs/dbraw/zinc/30/54/36/523305436.db2.gz PNTPHWTWTZXZTN-LBPRGKRZSA-N 0 3 254.761 2.414 10 0 CEAEHN CC[C@H]1COCCN1Cc1ccoc1CNC1CC1 ZINC000052481488 523334829 /nfs/dbraw/zinc/33/48/29/523334829.db2.gz KAPWUHVIVZMOOS-AWEZNQCLSA-N 0 3 264.369 2.142 10 0 CEAEHN CN(Cc1cnn(C)c1)[C@H](CC(N)=S)c1ccccc1 ZINC000055025055 523518261 /nfs/dbraw/zinc/51/82/61/523518261.db2.gz QRWNXDXBGVURTR-CQSZACIVSA-N 0 3 288.420 2.269 10 0 CEAEHN COCCNCc1cc(F)c(-n2ccc(C)n2)c(F)c1 ZINC000062738931 523948751 /nfs/dbraw/zinc/94/87/51/523948751.db2.gz AFEYOWUZMRSRHK-UHFFFAOYSA-N 0 3 281.306 2.195 10 0 CEAEHN COCCNCc1ccc(OC)cc1OCC(F)(F)F ZINC000062733268 523951608 /nfs/dbraw/zinc/95/16/08/523951608.db2.gz ZWDAHFFBVHFXRV-UHFFFAOYSA-N 0 3 293.285 2.372 10 0 CEAEHN CC[C@H](C)N1CCN(CC(CC)(CC)CO)CC1 ZINC000055072900 523952436 /nfs/dbraw/zinc/95/24/36/523952436.db2.gz FPWKQUNHBZDLHO-AWEZNQCLSA-N 0 3 256.434 2.201 10 0 CEAEHN COCCNCc1sc(N(C)C)nc1C(C)(C)C ZINC000054995964 523957886 /nfs/dbraw/zinc/95/78/86/523957886.db2.gz UPHPIRTZAIOJAF-UHFFFAOYSA-N 0 3 271.430 2.243 10 0 CEAEHN CC[C@H](C)N1CCN([C@H](CN)c2ccc(C)s2)CC1 ZINC000055063805 523959313 /nfs/dbraw/zinc/95/93/13/523959313.db2.gz HEJACUXUUVTISX-GXTWGEPZSA-N 0 3 281.469 2.472 10 0 CEAEHN CC[C@H](C)N1CCN([C@H](CN)c2c(F)cccc2F)CC1 ZINC000055064855 523959701 /nfs/dbraw/zinc/95/97/01/523959701.db2.gz DPMUELFPSOFLGP-SWLSCSKDSA-N 0 3 297.393 2.381 10 0 CEAEHN COCCOCc1cc(CNCC(C)C)oc1C ZINC000052628348 524027688 /nfs/dbraw/zinc/02/76/88/524027688.db2.gz DYDVNNCCYBTDSB-UHFFFAOYSA-N 0 3 255.358 2.497 10 0 CEAEHN C[C@H]1CCCN[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000051791077 524125775 /nfs/dbraw/zinc/12/57/75/524125775.db2.gz KZDKTMAHZFYFHM-XHDPSFHLSA-N 0 3 290.363 2.175 10 0 CEAEHN C[C@H]1CCC[C@H](NC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000061611216 524208865 /nfs/dbraw/zinc/20/88/65/524208865.db2.gz MIKCHPBOHAIHCC-QEJZJMRPSA-N 0 3 260.381 2.424 10 0 CEAEHN Cc1ccc(CCC(=O)Nc2ccc(CN)cn2)cc1 ZINC000052945739 524302185 /nfs/dbraw/zinc/30/21/85/524302185.db2.gz QQVBDCLLXQYSRD-UHFFFAOYSA-N 0 3 269.348 2.420 10 0 CEAEHN C[C@@H]1CCC[C@@H](SCC(=O)N2CCCNCC2)C1 ZINC000054694792 524317703 /nfs/dbraw/zinc/31/77/03/524317703.db2.gz PICLYFKGQGUQOH-CHWSQXEVSA-N 0 3 270.442 2.120 10 0 CEAEHN C[C@H](CN1CCCCC1)NCC(=O)Nc1ccccc1F ZINC000049501829 524331713 /nfs/dbraw/zinc/33/17/13/524331713.db2.gz ZDOSOENTJGMPKS-CYBMUJFWSA-N 0 3 293.386 2.228 10 0 CEAEHN C[C@H]1CN(C(=O)c2c(F)cccc2Cl)[C@@H](C)CN1 ZINC000062665708 524522841 /nfs/dbraw/zinc/52/28/41/524522841.db2.gz NDOYRQPLCYHOJH-IUCAKERBSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@@H](CN1CCCCC1)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000049501960 524607695 /nfs/dbraw/zinc/60/76/95/524607695.db2.gz ABRHQRRHLZTMNQ-GJZGRUSLSA-N 0 3 289.423 2.478 10 0 CEAEHN C[C@@H](CN1CCCCC1)Nc1cc(Cl)ncn1 ZINC000049503127 524607721 /nfs/dbraw/zinc/60/77/21/524607721.db2.gz MOCGMTSOFZCZTP-JTQLQIEISA-N 0 3 254.765 2.416 10 0 CEAEHN C[C@@H](CN1CCCCC1)N[C@@H](C)C(=O)NC1CCCCC1 ZINC000049501670 524608098 /nfs/dbraw/zinc/60/80/98/524608098.db2.gz RRFXLAHRFDOSNI-GJZGRUSLSA-N 0 3 295.471 2.288 10 0 CEAEHN C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C[C@@H]1C ZINC000068584806 524610687 /nfs/dbraw/zinc/61/06/87/524610687.db2.gz LVFPHBVDRCMOTR-FIRUKDTASA-N 0 3 290.407 2.203 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)CCCc1ccccc1 ZINC000069133100 524697592 /nfs/dbraw/zinc/69/75/92/524697592.db2.gz GPCJJNBXCPNVET-KBPBESRZSA-N 0 3 260.381 2.218 10 0 CEAEHN Cc1cc(CN2CCOCC2)oc1CNC(C)(C)C ZINC000052378037 524699875 /nfs/dbraw/zinc/69/98/75/524699875.db2.gz ZLMLFDZAMFPNJO-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN Cc1cc(CN2C[C@H](C)OC(C)(C)C2)oc1CN ZINC000052543525 524716512 /nfs/dbraw/zinc/71/65/12/524716512.db2.gz MMLAYXRAQDKQMN-NSHDSACASA-N 0 3 252.358 2.046 10 0 CEAEHN C[C@H]([NH3+])[C@]([O-])(c1cc(F)ccc1F)C(F)(F)F ZINC000062784617 524861275 /nfs/dbraw/zinc/86/12/75/524861275.db2.gz DOWMMUVALXMRSD-CDUCUWFYSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H](N)c1cc(Cl)ccc1O[C@H](C)C(=O)N(C)C ZINC000050209145 525023204 /nfs/dbraw/zinc/02/32/04/525023204.db2.gz QKODOIMWDGHSDF-RKDXNWHRSA-N 0 3 270.760 2.215 10 0 CEAEHN C[C@@H](N)c1ccccc1N1C(=O)CC(C)(C)CC1=O ZINC000061824889 525031059 /nfs/dbraw/zinc/03/10/59/525031059.db2.gz NNOSZVWEIOBMCD-SNVBAGLBSA-N 0 3 260.337 2.386 10 0 CEAEHN C[C@@H]1CN(c2ncc(CNC3CC3)s2)C[C@@H](C)O1 ZINC000054900511 525073734 /nfs/dbraw/zinc/07/37/34/525073734.db2.gz QJKXBZGFONKDDL-NXEZZACHSA-N 0 3 267.398 2.009 10 0 CEAEHN C[C@@H]1COCCN1Cc1ccc(CNC(C)(C)C)o1 ZINC000052475831 525126375 /nfs/dbraw/zinc/12/63/75/525126375.db2.gz USBYRBQOJJZASN-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)c1ccsc1 ZINC000061366136 525131117 /nfs/dbraw/zinc/13/11/17/525131117.db2.gz TXCQZQFIEPIFOJ-FZMZJTMJSA-N 0 3 274.389 2.495 10 0 CEAEHN COc1ccc([C@@H](C)NCc2cnc[nH]2)cc1OC ZINC000054765149 525155499 /nfs/dbraw/zinc/15/54/99/525155499.db2.gz ZCSWAZYBJRPQMN-SNVBAGLBSA-N 0 3 261.325 2.278 10 0 CEAEHN Cc1c(-c2ccc(Cl)cc2)[nH]nc1N1CCNCC1 ZINC000062670072 525507492 /nfs/dbraw/zinc/50/74/92/525507492.db2.gz OVZSUDBPJZLGJY-UHFFFAOYSA-N 0 3 276.771 2.448 10 0 CEAEHN COc1ccc2cc([C@H](N)[C@H]3COCCO3)ccc2c1 ZINC000055301240 525640692 /nfs/dbraw/zinc/64/06/92/525640692.db2.gz XKFUZFYEKVQIGX-CVEARBPZSA-N 0 3 273.332 2.264 10 0 CEAEHN Cc1ccc([C@@H](N)CN(C)Cc2cnn(C)c2)c(C)c1 ZINC000048971948 525764906 /nfs/dbraw/zinc/76/49/06/525764906.db2.gz JBXLRGWNAMNDEK-INIZCTEOSA-N 0 3 272.396 2.169 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(Cc2ccccn2)CCN1 ZINC000068693697 525902459 /nfs/dbraw/zinc/90/24/59/525902459.db2.gz JKRGDXIXONFEOI-KRWDZBQOSA-N 0 3 267.376 2.402 10 0 CEAEHN Cc1ccc(=O)n(CCNCc2ccc(Cl)s2)n1 ZINC000061811088 525976239 /nfs/dbraw/zinc/97/62/39/525976239.db2.gz CAQMUTZKSLTVNR-UHFFFAOYSA-N 0 3 283.784 2.056 10 0 CEAEHN Cc1ccc(=O)n(C[C@H](N)c2ccc(CC(C)C)cc2)n1 ZINC000061810460 525977582 /nfs/dbraw/zinc/97/75/82/525977582.db2.gz HXYKFWGSMGFODW-INIZCTEOSA-N 0 3 285.391 2.450 10 0 CEAEHN COc1cccc(N(C)C(=O)[C@@H](CN)c2ccccc2)c1 ZINC000061613227 526129848 /nfs/dbraw/zinc/12/98/48/526129848.db2.gz BDPKRZYSHLSSIQ-INIZCTEOSA-N 0 3 284.359 2.401 10 0 CEAEHN Cc1ccc(C(C)C)c(O[C@@H](C)C[C@](C)(N)C(N)=O)c1 ZINC000068655712 526248780 /nfs/dbraw/zinc/24/87/80/526248780.db2.gz OPUCRHQPHUCGIE-LRDDRELGSA-N 0 3 278.396 2.479 10 0 CEAEHN C[C@H]1CCCN(C(=O)c2c[nH]c(=NN)c(Cl)c2)[C@H]1C ZINC000051091736 526267242 /nfs/dbraw/zinc/26/72/42/526267242.db2.gz VZEIFBUTDLYAOR-IUCAKERBSA-N 0 3 282.775 2.281 10 0 CEAEHN NC(=O)c1ccc(CNCCc2ccsc2)c(F)c1 ZINC000049181558 527050863 /nfs/dbraw/zinc/05/08/63/527050863.db2.gz VGFLSPHXNDHOJU-UHFFFAOYSA-N 0 3 278.352 2.318 10 0 CEAEHN NC(=S)c1ccc(F)cc1CN1CCCCC1 ZINC000069402564 527118500 /nfs/dbraw/zinc/11/85/00/527118500.db2.gz ORAPRYNMVVWIDV-UHFFFAOYSA-N 0 3 252.358 2.446 10 0 CEAEHN NC[C@@H](Oc1cc(F)cc(F)c1)c1ccncc1 ZINC000054932482 527206601 /nfs/dbraw/zinc/20/66/01/527206601.db2.gz DGFGLJOKRNOSQW-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN Cn1cc(C[C@@H](N)c2nccc3ccccc32)cn1 ZINC000069313697 527228974 /nfs/dbraw/zinc/22/89/74/527228974.db2.gz JFQYVQQJDBJHJI-CQSZACIVSA-N 0 3 252.321 2.211 10 0 CEAEHN NC[C@H](c1cccc(F)c1)N(CCO)Cc1ccccc1 ZINC000050514015 527230507 /nfs/dbraw/zinc/23/05/07/527230507.db2.gz JLENHAJFZHKPCQ-QGZVFWFLSA-N 0 3 288.366 2.320 10 0 CEAEHN NCc1ccnc(C2(c3ccccc3)CCOCC2)n1 ZINC000062784125 527260745 /nfs/dbraw/zinc/26/07/45/527260745.db2.gz IAQCWGBOGXWKSM-UHFFFAOYSA-N 0 3 269.348 2.032 10 0 CEAEHN NCc1cnc(Cc2cccc(Br)c2)nc1 ZINC000054855317 527262605 /nfs/dbraw/zinc/26/26/05/527262605.db2.gz YALZHDAETZQADM-UHFFFAOYSA-N 0 3 278.153 2.289 10 0 CEAEHN NCc1coc(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000052417124 527263245 /nfs/dbraw/zinc/26/32/45/527263245.db2.gz WEXZGPLRYBANEQ-UHFFFAOYSA-N 0 3 285.391 2.056 10 0 CEAEHN NNc1ccc(Cl)c(CSC2CCOCC2)n1 ZINC000062056718 527280416 /nfs/dbraw/zinc/28/04/16/527280416.db2.gz RYTRWJFKQGFDBC-UHFFFAOYSA-N 0 3 273.789 2.433 10 0 CEAEHN N[C@@H](c1ccc2c(c1)CC(=O)N2)c1ccc2c(c1)CCO2 ZINC000050892073 527338732 /nfs/dbraw/zinc/33/87/32/527338732.db2.gz HRLVKFCJRIOSGF-KRWDZBQOSA-N 0 3 280.327 2.164 10 0 CEAEHN N[C@H]1Cc2ccccc2N(C(=O)c2ccc(F)cc2F)C1 ZINC000070195661 527420301 /nfs/dbraw/zinc/42/03/01/527420301.db2.gz GOGRZCCIBDZNPL-LBPRGKRZSA-N 0 3 288.297 2.495 10 0 CEAEHN N[C@H]1Cc2ccccc2[C@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405634 527420500 /nfs/dbraw/zinc/42/05/00/527420500.db2.gz LNKZQVHJUYGNKY-JLJPHGGASA-N 0 3 288.391 2.077 10 0 CEAEHN CCO[C@H](C)c1noc(CN(C)C[C@@H]2CCCN2CC)n1 ZINC000175356144 528018487 /nfs/dbraw/zinc/01/84/87/528018487.db2.gz CDAUTMJMAFWRPP-OLZOCXBDSA-N 0 3 296.415 2.083 10 0 CEAEHN CCCCN(CCCC)C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000178639691 528400761 /nfs/dbraw/zinc/40/07/61/528400761.db2.gz ZZMQNFRGEJTKQW-MRXNPFEDSA-N 0 3 295.471 2.195 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC1(C)CCC1 ZINC000177413477 528500106 /nfs/dbraw/zinc/50/01/06/528500106.db2.gz FUYFQWYCHFQHSI-CYBMUJFWSA-N 0 3 269.433 2.452 10 0 CEAEHN CCC(O)(CC)CN1CCN(Cc2ccccc2)CC1 ZINC000165198369 528966194 /nfs/dbraw/zinc/96/61/94/528966194.db2.gz UQADJYMZYMXMQA-UHFFFAOYSA-N 0 3 276.424 2.355 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCC2(CC)CCC2)C1 ZINC000176440057 529055108 /nfs/dbraw/zinc/05/51/08/529055108.db2.gz XELQYGAQTTYTQT-CYBMUJFWSA-N 0 3 267.417 2.350 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC1(C)CCC1 ZINC000176642658 529063550 /nfs/dbraw/zinc/06/35/50/529063550.db2.gz YQTIRRMEAZVOSN-CYBMUJFWSA-N 0 3 267.417 2.302 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1cnc(C)s1 ZINC000175351416 529069839 /nfs/dbraw/zinc/06/98/39/529069839.db2.gz WBIONIXSFUPRNG-GFCCVEGCSA-N 0 3 253.415 2.368 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nc(C(C)(C)C)no1 ZINC000175360027 529097456 /nfs/dbraw/zinc/09/74/56/529097456.db2.gz LMYOSCMZCKVHGQ-LBPRGKRZSA-N 0 3 280.416 2.283 10 0 CEAEHN CCc1nc(Cl)c(C)c(N2CCN3CCC[C@@H]3C2)n1 ZINC000093538020 536144800 /nfs/dbraw/zinc/14/48/00/536144800.db2.gz SNHLUHCJGGZQBT-LLVKDONJSA-N 0 3 280.803 2.285 10 0 CEAEHN COc1cccc(N2CCN([C@@H]3CCC[C@H](O)C3)CC2)c1 ZINC000093731525 537124964 /nfs/dbraw/zinc/12/49/64/537124964.db2.gz XQBZWRHWFPYHFA-ZBFHGGJFSA-N 0 3 290.407 2.121 10 0 CEAEHN FC1(F)CCCC[C@H]1CN1CCC2(C1)OCCO2 ZINC000306904556 622844930 /nfs/dbraw/zinc/84/49/30/622844930.db2.gz KBASGCUSIGSYCC-NSHDSACASA-N 0 3 261.312 2.261 10 0 CEAEHN CCCCC[C@H](C)NC(=O)CN1CCC[C@@H]1CCCO ZINC000052761910 625902237 /nfs/dbraw/zinc/90/22/37/625902237.db2.gz IKNDWEKAEKDWDZ-LSDHHAIUSA-N 0 3 284.444 2.308 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2cc(F)ccc2C1 ZINC000236957653 629132518 /nfs/dbraw/zinc/13/25/18/629132518.db2.gz ZZRSJJUIHJIDQH-QMTHXVAHSA-N 0 3 264.344 2.084 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1F ZINC000261892678 629304785 /nfs/dbraw/zinc/30/47/85/629304785.db2.gz VSBAYANUZUKYQH-XHDPSFHLSA-N 0 3 294.370 2.065 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccc(Cl)nn1 ZINC000252856872 631674899 /nfs/dbraw/zinc/67/48/99/631674899.db2.gz LCEYNTPMNWXDPL-YPMHNXCESA-N 0 3 280.803 2.189 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccc(Cl)nn1 ZINC000167261613 639510858 /nfs/dbraw/zinc/51/08/58/639510858.db2.gz LCEYNTPMNWXDPL-WCQYABFASA-N 0 3 280.803 2.189 10 0 CEAEHN CC[C@H]1CN(CCc2ccccc2F)CCN1C[C@@H](C)O ZINC000121375009 365559238 /nfs/dbraw/zinc/55/92/38/365559238.db2.gz JVYYDVIZWSWMAF-ZBFHGGJFSA-N 0 3 294.414 2.145 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCCCSC)C1 ZINC000121462383 365571662 /nfs/dbraw/zinc/57/16/62/365571662.db2.gz WYAYWPCRMPMKHN-LBPRGKRZSA-N 0 3 258.431 2.120 10 0 CEAEHN CN1c2ccc([C@@H](N)c3ccccc3)cc2CC1=O ZINC000034940647 361798901 /nfs/dbraw/zinc/79/89/01/361798901.db2.gz PNMXAHZLEFKVQJ-INIZCTEOSA-N 0 3 252.317 2.254 10 0 CEAEHN CC(C)COc1ccc([C@@H](C)N[C@@H](C)C(N)=O)cc1 ZINC000035792849 361822812 /nfs/dbraw/zinc/82/28/12/361822812.db2.gz UMNSZUOLCLHGHL-NEPJUHHUSA-N 0 3 264.369 2.246 10 0 CEAEHN CC1(NC(=O)c2c[nH]c(=NN)c(Cl)c2)CCCC1 ZINC000082786002 178292407 /nfs/dbraw/zinc/29/24/07/178292407.db2.gz WLOIKEPSNIKTJC-UHFFFAOYSA-N 0 3 268.748 2.083 10 0 CEAEHN Cc1n[nH]cc1CN[C@@H](CN(C)C)c1ccccc1 ZINC000036901600 361868327 /nfs/dbraw/zinc/86/83/27/361868327.db2.gz YBEWQFOPGXVOHT-HNNXBMFYSA-N 0 3 258.369 2.111 10 0 CEAEHN COc1ccc(CN[C@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000037164320 361902629 /nfs/dbraw/zinc/90/26/29/361902629.db2.gz KARMEDYDRYSAGM-QWHCGFSZSA-N 0 3 265.353 2.097 10 0 CEAEHN Cc1cc(CN[C@@H](C(N)=O)C(C)C)ccc1Br ZINC000072738117 539165910 /nfs/dbraw/zinc/16/59/10/539165910.db2.gz WNRIXMLQCHVZAA-GFCCVEGCSA-N 0 3 299.212 2.357 10 0 CEAEHN CC[C@H](NC(=O)[C@H](N)CC(C)C)c1nccs1 ZINC000080269042 539172419 /nfs/dbraw/zinc/17/24/19/539172419.db2.gz XAHRVLJWUYRWNA-ZJUUUORDSA-N 0 3 255.387 2.084 10 0 CEAEHN CO[C@@H]1CN(Cc2cccc(C3CC3)c2)C[C@H]1c1c[nH]nn1 ZINC000668579119 539203411 /nfs/dbraw/zinc/20/34/11/539203411.db2.gz QZFJWYNPNHMCRG-DOTOQJQBSA-N 0 3 298.390 2.297 10 0 CEAEHN CC(C)n1ccnc1CN[C@@H]1CCCC[C@H]1CO ZINC000124994620 539212565 /nfs/dbraw/zinc/21/25/65/539212565.db2.gz CIJUTSYOOMHNNG-QWHCGFSZSA-N 0 3 251.374 2.105 10 0 CEAEHN C[C@H](c1cnn(CC2CCC2)c1)N1CC[C@@H](CO)C1 ZINC000725264344 539212823 /nfs/dbraw/zinc/21/28/23/539212823.db2.gz HXRXJKPHYNCFRU-TZMCWYRMSA-N 0 3 263.385 2.058 10 0 CEAEHN CC(C)(C)OC(=O)[C@@](C)(CN)c1ccc(F)cc1 ZINC000725265189 539213116 /nfs/dbraw/zinc/21/31/16/539213116.db2.gz MRCNADRLTZQMGH-AWEZNQCLSA-N 0 3 253.317 2.384 10 0 CEAEHN CC(C)[C@H]1CNCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000725271330 539215226 /nfs/dbraw/zinc/21/52/26/539215226.db2.gz CTVHNJODEDTDIM-CYBMUJFWSA-N 0 3 298.427 2.401 10 0 CEAEHN CN1CCO[C@H](CNCc2ccc(C(F)F)cc2)C1 ZINC000150179627 539215465 /nfs/dbraw/zinc/21/54/65/539215465.db2.gz YTGNQGRSAXRWMP-CYBMUJFWSA-N 0 3 270.323 2.044 10 0 CEAEHN C[C@@H](NC(=O)C(C)(C)N)c1ccc2c(c1)CCCC2 ZINC000040922098 362009248 /nfs/dbraw/zinc/00/92/48/362009248.db2.gz GVFUEHKXGDKFPL-LLVKDONJSA-N 0 3 260.381 2.480 10 0 CEAEHN C[C@@H](NCCN[C@H](C)c1ccncc1)c1ccncc1 ZINC000019367988 343374562 /nfs/dbraw/zinc/37/45/62/343374562.db2.gz BFOGSPSCGNNNHA-ZIAGYGMSSA-N 0 3 270.380 2.478 10 0 CEAEHN NC[C@H](O)c1cccc(OCc2ccccc2)c1F ZINC000032240873 343411999 /nfs/dbraw/zinc/41/19/99/343411999.db2.gz MUJVDWHBAVZXAR-ZDUSSCGKSA-N 0 3 261.296 2.397 10 0 CEAEHN COc1cc(CN[C@@H]2CCC[C@H](O)C2)cc(OC)c1OC ZINC000037164262 343426066 /nfs/dbraw/zinc/42/60/66/343426066.db2.gz GOHAMCMBAWJBBY-OLZOCXBDSA-N 0 3 295.379 2.106 10 0 CEAEHN COc1cccc(CN[C@@H]2CCCC[C@@H]2CO)c1F ZINC000194118226 539319946 /nfs/dbraw/zinc/31/99/46/539319946.db2.gz UAEOAUWSIYPJSP-CHWSQXEVSA-N 0 3 267.344 2.475 10 0 CEAEHN CCc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)o1 ZINC000133040988 136389889 /nfs/dbraw/zinc/38/98/89/136389889.db2.gz VEIPWGYNQIKXLC-CYBMUJFWSA-N 0 3 286.379 2.391 10 0 CEAEHN C[C@H](N[C@H]1C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000052270423 290061234 /nfs/dbraw/zinc/06/12/34/290061234.db2.gz VTTRMAHTHNRHDU-KWBADKCTSA-N 0 3 253.367 2.149 10 0 CEAEHN O[C@@H](CNCc1ccc(F)cc1F)COCc1ccco1 ZINC000051017449 343547517 /nfs/dbraw/zinc/54/75/17/343547517.db2.gz ZQXOGSRVLFSGQD-ZDUSSCGKSA-N 0 3 297.301 2.225 10 0 CEAEHN C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@H](CN(C)C)C2)o1 ZINC000128146850 187353844 /nfs/dbraw/zinc/35/38/44/187353844.db2.gz RTUWROCHDWCYCG-BPLDGKMQSA-N 0 3 278.396 2.165 10 0 CEAEHN O=C(c1ccc2c(c1)CCC2)N1CCN2CCC[C@H]2C1 ZINC000049515940 362368873 /nfs/dbraw/zinc/36/88/73/362368873.db2.gz XAVYHEJEWYUZTQ-INIZCTEOSA-N 0 3 270.376 2.096 10 0 CEAEHN C[C@H]1CN(c2ccccc2Br)N=C1N ZINC000137422162 344387998 /nfs/dbraw/zinc/38/79/98/344387998.db2.gz SANVNAQLIMWOTN-ZETCQYMHSA-N 0 3 254.131 2.177 10 0 CEAEHN C[C@@H]1CC(N)=NN1c1cccc(Br)c1 ZINC000137410130 344388097 /nfs/dbraw/zinc/38/80/97/344388097.db2.gz DWVOTHPMHZLRBO-SSDOTTSWSA-N 0 3 254.131 2.320 10 0 CEAEHN O=C1NCCC[C@H]1NCc1cccc2ccccc21 ZINC000050393832 362417086 /nfs/dbraw/zinc/41/70/86/362417086.db2.gz MPGXCIQRCBPFSJ-OAHLLOKOSA-N 0 3 254.333 2.208 10 0 CEAEHN OCCC[C@@H]1CCCN1CCOc1ccccc1F ZINC000052761934 362474091 /nfs/dbraw/zinc/47/40/91/362474091.db2.gz QVWPULKXXKNAIW-ZDUSSCGKSA-N 0 3 267.344 2.441 10 0 CEAEHN COc1cc([C@@H](N)CF)cc(Br)c1O ZINC000238417157 344606649 /nfs/dbraw/zinc/60/66/49/344606649.db2.gz RKSSBTXSKSHPCE-ZETCQYMHSA-N 0 3 264.094 2.133 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC ZINC000262590054 344654766 /nfs/dbraw/zinc/65/47/66/344654766.db2.gz ULDDXPGPCLYBBJ-WUHRBBMRSA-N 0 3 270.417 2.070 10 0 CEAEHN CN1CCC[C@H](N)[C@H]1c1occc1Br ZINC000300216534 344698910 /nfs/dbraw/zinc/69/89/10/344698910.db2.gz RKBPYSKBBSCSGV-IUCAKERBSA-N 0 3 259.147 2.136 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381668321 344824815 /nfs/dbraw/zinc/82/48/15/344824815.db2.gz KTBMTCNXMMSQJD-JKZOPUQSSA-N 0 3 252.402 2.445 10 0 CEAEHN CC(C)(C)c1nc(CN2CC[C@@H]3OCCN[C@@H]3C2)cs1 ZINC000404095660 344877894 /nfs/dbraw/zinc/87/78/94/344877894.db2.gz XVCMBSCSCGOBKA-OLZOCXBDSA-N 0 3 295.452 2.003 10 0 CEAEHN Fc1c(Cl)cccc1CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000404255913 344878769 /nfs/dbraw/zinc/87/87/69/344878769.db2.gz LXLYYOFVGYDVBA-CHWSQXEVSA-N 0 3 284.762 2.042 10 0 CEAEHN CN[C@H](C[S@](=O)CCOC)c1cccc2ccccc21 ZINC000084035523 178775702 /nfs/dbraw/zinc/77/57/02/178775702.db2.gz DJODIJUPBQDDHM-UZLBHIALSA-N 0 3 291.416 2.495 10 0 CEAEHN CCCN[C@@H]1c2ccc(OC)cc2CC[C@@H]1[S@](C)=O ZINC000084046920 178778252 /nfs/dbraw/zinc/77/82/52/178778252.db2.gz PCCWAYBFQHJNNO-QMTMVMCOSA-N 0 3 281.421 2.429 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccccc1OCC(C)C ZINC000054074623 362508602 /nfs/dbraw/zinc/50/86/02/362508602.db2.gz GUDIQNVGAAZEEU-LLVKDONJSA-N 0 3 250.342 2.268 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000054073333 362508990 /nfs/dbraw/zinc/50/89/90/362508990.db2.gz BSUFWGDSMDGVPM-LDYMZIIASA-N 0 3 268.357 2.087 10 0 CEAEHN CC[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000057870593 362597878 /nfs/dbraw/zinc/59/78/78/362597878.db2.gz MASQHJVNWITPEV-KGLIPLIRSA-N 0 3 267.417 2.445 10 0 CEAEHN CCc1cc([C@H](N)[C@@H]2CCc3cccnc32)n(C)n1 ZINC000097305244 185582565 /nfs/dbraw/zinc/58/25/65/185582565.db2.gz LVQCASNSTDSTOI-GXTWGEPZSA-N 0 3 256.353 2.107 10 0 CEAEHN CN[C@H](Cc1c(C)nn(C)c1Cl)c1snnc1C ZINC000097391838 185597621 /nfs/dbraw/zinc/59/76/21/185597621.db2.gz QAGANRJFAULAKL-SECBINFHSA-N 0 3 285.804 2.045 10 0 CEAEHN CN[C@@H](Cc1cccc(OC)c1F)c1snnc1C ZINC000097415422 185599423 /nfs/dbraw/zinc/59/94/23/185599423.db2.gz HWZRCYQNGVEHOE-JTQLQIEISA-N 0 3 281.356 2.497 10 0 CEAEHN Cc1cc(F)ccc1C[C@@H](NN)C(C)(C)N1CCCC1 ZINC000097581437 185629961 /nfs/dbraw/zinc/62/99/61/185629961.db2.gz KBTTZJUBCOELPS-OAHLLOKOSA-N 0 3 279.403 2.383 10 0 CEAEHN CN(C)C1([C@@H](NN)c2cccc3c2OCC3)CCCCC1 ZINC000097589651 185633968 /nfs/dbraw/zinc/63/39/68/185633968.db2.gz KIDJKKPYSKMEMW-INIZCTEOSA-N 0 3 289.423 2.390 10 0 CEAEHN N[C@](CO)(CSc1ccccn1)c1ccccc1 ZINC000085292024 179007879 /nfs/dbraw/zinc/00/78/79/179007879.db2.gz KLNQDUANOPMLHX-CQSZACIVSA-N 0 3 260.362 2.020 10 0 CEAEHN COC(CN[C@@H]1C[C@@H](OCC(C)C)C1(C)C)OC ZINC000085400640 179051543 /nfs/dbraw/zinc/05/15/43/179051543.db2.gz LSWXZYMAQHSPIQ-VXGBXAGGSA-N 0 3 259.390 2.035 10 0 CEAEHN CC(C)[C@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085506264 179084260 /nfs/dbraw/zinc/08/42/60/179084260.db2.gz PLSRNSHIYRTPEE-BRWVUGGUSA-N 0 3 274.408 2.446 10 0 CEAEHN CC[C@@H]1CN[C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085505236 179084595 /nfs/dbraw/zinc/08/45/95/179084595.db2.gz XNIYCOAWKJYXFR-HZPDHXFCSA-N 0 3 282.391 2.402 10 0 CEAEHN CN1CCC(n2c3c(nc2C(C)(C)C)CNCC3)CC1 ZINC000085569816 179096071 /nfs/dbraw/zinc/09/60/71/179096071.db2.gz IGYIUEUZZDDISH-UHFFFAOYSA-N 0 3 276.428 2.093 10 0 CEAEHN CC(C)Cc1nc2c(n1CCN1CCCCC1)CCNC2 ZINC000085572722 179097125 /nfs/dbraw/zinc/09/71/25/179097125.db2.gz MAUGVLWHJUCULW-UHFFFAOYSA-N 0 3 290.455 2.213 10 0 CEAEHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000063171177 362754243 /nfs/dbraw/zinc/75/42/43/362754243.db2.gz PDBUWUQDGZOILD-SSDOTTSWSA-N 0 3 297.207 2.009 10 0 CEAEHN Cc1cccn2c(CN3CC[C@H](c4cnn(C)c4)C3)cnc12 ZINC000128476614 187372853 /nfs/dbraw/zinc/37/28/53/187372853.db2.gz WRINCNZTKSOMEQ-AWEZNQCLSA-N 0 3 295.390 2.366 10 0 CEAEHN Nc1ccc(SC[C@@H]2CNCCO2)cc1Cl ZINC000085938200 179202879 /nfs/dbraw/zinc/20/28/79/179202879.db2.gz YUJWQLYTFQBSJY-QMMMGPOBSA-N 0 3 258.774 2.003 10 0 CEAEHN COC(=O)c1ccccc1CNC[C@@H]1CCCC[C@H]1O ZINC000085977775 179208779 /nfs/dbraw/zinc/20/87/79/179208779.db2.gz XLPXFQIIALMVGH-DZGCQCFKSA-N 0 3 277.364 2.114 10 0 CEAEHN CC[C@@H]1CC[C@@H](NC(=O)c2ccc(CN)cn2)[C@@H]1C ZINC000086082852 179228557 /nfs/dbraw/zinc/22/85/57/179228557.db2.gz MDOYOBDOFJHJSY-RAIGVLPGSA-N 0 3 261.369 2.095 10 0 CEAEHN CC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2CN)[C@@H]1C ZINC000086091439 179229099 /nfs/dbraw/zinc/22/90/99/179229099.db2.gz YYXOKMFHMQNMGB-DYEKYZERSA-N 0 3 296.436 2.248 10 0 CEAEHN Cc1nccc(CN2C[C@H](C)NC[C@@H]2c2ccccc2)n1 ZINC000086174013 179245998 /nfs/dbraw/zinc/24/59/98/179245998.db2.gz LAMDYMQAWMKKDO-SUMWQHHRSA-N 0 3 282.391 2.320 10 0 CEAEHN C[C@@H]1CN[C@](C)(c2ccccc2)CN1c1cnn(C)c1 ZINC000086218348 179249240 /nfs/dbraw/zinc/24/92/40/179249240.db2.gz UJQNATZDBLNZIW-CJNGLKHVSA-N 0 3 270.380 2.134 10 0 CEAEHN CC[C@H]1CN[C@@H](c2ccccc2)CN1Cc1nccn1C ZINC000086264844 179260823 /nfs/dbraw/zinc/26/08/23/179260823.db2.gz DKCDAJMDKZQBFE-JKSUJKDBSA-N 0 3 284.407 2.345 10 0 CEAEHN CN1CCC(Nc2nc(Br)cs2)CC1 ZINC000086278775 179262727 /nfs/dbraw/zinc/26/27/27/179262727.db2.gz KYCAVXFGPKJWBD-UHFFFAOYSA-N 0 3 276.203 2.412 10 0 CEAEHN C[C@H]1CN(c2nc(Br)cs2)[C@@H](C)CN1 ZINC000086290974 179265818 /nfs/dbraw/zinc/26/58/18/179265818.db2.gz ZKLFFAIXXXYOFR-BQBZGAKWSA-N 0 3 276.203 2.092 10 0 CEAEHN CCN(CC)C(=O)[C@H](CN)Cc1ccc2ccccc2n1 ZINC000086317259 179269577 /nfs/dbraw/zinc/26/95/77/179269577.db2.gz GJUCOUXGMNCNAH-AWEZNQCLSA-N 0 3 285.391 2.221 10 0 CEAEHN CC(C)N1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086442767 179293569 /nfs/dbraw/zinc/29/35/69/179293569.db2.gz LRDIOSBQBZJVSM-NSHDSACASA-N 0 3 280.441 2.010 10 0 CEAEHN CC(C)(C)N1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086443793 179293738 /nfs/dbraw/zinc/29/37/38/179293738.db2.gz XLDRBUSQEFDEQY-NSHDSACASA-N 0 3 294.468 2.400 10 0 CEAEHN CCCN1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086441971 179293784 /nfs/dbraw/zinc/29/37/84/179293784.db2.gz FMGKVYCLGMHCMW-LLVKDONJSA-N 0 3 280.441 2.011 10 0 CEAEHN COC1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086442647 179293964 /nfs/dbraw/zinc/29/39/64/179293964.db2.gz IWKCDMJSQRDENJ-JTQLQIEISA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccccc2F)[C@@H](CC)CN1 ZINC000086447265 179295710 /nfs/dbraw/zinc/29/57/10/179295710.db2.gz IABHTNPBBFOBCN-NEPJUHHUSA-N 0 3 264.344 2.428 10 0 CEAEHN CCCn1cc(Cl)cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000086467725 179297624 /nfs/dbraw/zinc/29/76/24/179297624.db2.gz VWSKIZRLTYMNTR-GHMZBOCLSA-N 0 3 283.803 2.374 10 0 CEAEHN CNCc1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598509 179311102 /nfs/dbraw/zinc/31/11/02/179311102.db2.gz PLQRPZLXHCEUCJ-UHFFFAOYSA-N 0 3 258.094 2.184 10 0 CEAEHN COC[C@H](C)NCCSc1nc(C)c(C)c(C)n1 ZINC000086645253 179316338 /nfs/dbraw/zinc/31/63/38/179316338.db2.gz CWOIMMAHUKYCSG-VIFPVBQESA-N 0 3 269.414 2.118 10 0 CEAEHN Cc1ccc(CN[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086670697 179317255 /nfs/dbraw/zinc/31/72/55/179317255.db2.gz HRDDXSZCZAOLHD-KBPBESRZSA-N 0 3 267.394 2.050 10 0 CEAEHN CCCC1CCN(Cc2c[nH]c(=NN)s2)CC1 ZINC000086767783 179325844 /nfs/dbraw/zinc/32/58/44/179325844.db2.gz SQZFEBXQGSRIOZ-UHFFFAOYSA-N 0 3 254.403 2.441 10 0 CEAEHN CC[C@@H](C1CC1)N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776218 179328153 /nfs/dbraw/zinc/32/81/53/179328153.db2.gz DETPSNSYKYTQCJ-LSDHHAIUSA-N 0 3 280.412 2.188 10 0 CEAEHN CC[C@@H](C1CC1)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776218 179328155 /nfs/dbraw/zinc/32/81/55/179328155.db2.gz DETPSNSYKYTQCJ-LSDHHAIUSA-N 0 3 280.412 2.188 10 0 CEAEHN CC(C)C[C@@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776239 179328626 /nfs/dbraw/zinc/32/86/26/179328626.db2.gz IMWIQVRXHLDLLZ-UKRRQHHQSA-N 0 3 282.428 2.434 10 0 CEAEHN CC(C)C[C@@H](C)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776239 179328627 /nfs/dbraw/zinc/32/86/27/179328627.db2.gz IMWIQVRXHLDLLZ-UKRRQHHQSA-N 0 3 282.428 2.434 10 0 CEAEHN CC[C@](C)(N)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000086803389 179336681 /nfs/dbraw/zinc/33/66/81/179336681.db2.gz AXGBDWJMIQWSQE-NSHDSACASA-N 0 3 260.790 2.487 10 0 CEAEHN CC[N@@H+]1CCC[C@](NCc2ccccc2)(C(=O)[O-])CC1 ZINC000086849883 179357750 /nfs/dbraw/zinc/35/77/50/179357750.db2.gz KPNBCLFKHPKQRZ-MRXNPFEDSA-N 0 3 276.380 2.105 10 0 CEAEHN CC[N@H+]1CCC[C@](NCc2ccccc2)(C(=O)[O-])CC1 ZINC000086849883 179357752 /nfs/dbraw/zinc/35/77/52/179357752.db2.gz KPNBCLFKHPKQRZ-MRXNPFEDSA-N 0 3 276.380 2.105 10 0 CEAEHN CCN1CCC[C@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849883 179357754 /nfs/dbraw/zinc/35/77/54/179357754.db2.gz KPNBCLFKHPKQRZ-MRXNPFEDSA-N 0 3 276.380 2.105 10 0 CEAEHN C[N@@H+]1CCC[C@@H](N2CCc3sccc3[C@@H]2C(=O)[O-])CC1 ZINC000086834620 179350658 /nfs/dbraw/zinc/35/06/58/179350658.db2.gz BXHUZYBBLQOXIU-BXUZGUMPSA-N 0 3 294.420 2.216 10 0 CEAEHN C[N@H+]1CCC[C@@H](N2CCc3sccc3[C@@H]2C(=O)[O-])CC1 ZINC000086834620 179350660 /nfs/dbraw/zinc/35/06/60/179350660.db2.gz BXHUZYBBLQOXIU-BXUZGUMPSA-N 0 3 294.420 2.216 10 0 CEAEHN CCN1CCC[C@H](Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000086841129 179353400 /nfs/dbraw/zinc/35/34/00/179353400.db2.gz YLKFGYRVPSXBQP-ZDUSSCGKSA-N 0 3 296.436 2.376 10 0 CEAEHN CC(C)C[C@H]([NH2+][C@@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086843281 179353620 /nfs/dbraw/zinc/35/36/20/179353620.db2.gz HSXIBYQEATXGGH-KGLIPLIRSA-N 0 3 270.417 2.338 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869134 179361659 /nfs/dbraw/zinc/36/16/59/179361659.db2.gz GSVXWWDONUNOLU-GOEBONIOSA-N 0 3 282.428 2.438 10 0 CEAEHN CCCN1CCC[C@H]([N@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869134 179361661 /nfs/dbraw/zinc/36/16/61/179361661.db2.gz GSVXWWDONUNOLU-GOEBONIOSA-N 0 3 282.428 2.438 10 0 CEAEHN CCCN1CCC[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086868703 179362722 /nfs/dbraw/zinc/36/27/22/179362722.db2.gz QSHGGQUEAYTHSW-SLTAFYQDSA-N 0 3 282.428 2.484 10 0 CEAEHN CC(C)N1CCC[C@@]([NH2+]C2CCCC2)(C(=O)[O-])CC1 ZINC000086850362 179357999 /nfs/dbraw/zinc/35/79/99/179357999.db2.gz DVVWHUXRNZYQKO-HNNXBMFYSA-N 0 3 268.401 2.236 10 0 CEAEHN CCCN1CCC[C@]([NH2+][C@@H](C)CC)(C(=O)[O-])CC1 ZINC000086850487 179358503 /nfs/dbraw/zinc/35/85/03/179358503.db2.gz KVXJAFQOHBAHQJ-GXTWGEPZSA-N 0 3 256.390 2.094 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1nccc2ccccc21 ZINC000086979734 179373325 /nfs/dbraw/zinc/37/33/25/179373325.db2.gz MBVFXXJKOLAKNP-CQSZACIVSA-N 0 3 292.404 2.450 10 0 CEAEHN C1CN[C@H](c2nc([C@H]3CSCCS3)no2)C1 ZINC000086981380 179373345 /nfs/dbraw/zinc/37/33/45/179373345.db2.gz OXYOHLROPKIGPG-JGVFFNPUSA-N 0 3 257.384 2.015 10 0 CEAEHN COCCN[C@@]1(C(N)=O)CCC[C@@H](C(C)(C)C)CC1 ZINC000086959937 179368430 /nfs/dbraw/zinc/36/84/30/179368430.db2.gz QMFZXGSSHKTQIX-DOMZBBRYSA-N 0 3 270.417 2.073 10 0 CEAEHN CCC(O)(CC)CNCc1ccccc1C(=O)OC ZINC000087015364 179380113 /nfs/dbraw/zinc/38/01/13/179380113.db2.gz LRTUJDCCUVXQHE-UHFFFAOYSA-N 0 3 265.353 2.114 10 0 CEAEHN CC[C@@](C)(O)CNCC(=O)Nc1ccc(Cl)cc1 ZINC000087028089 179382047 /nfs/dbraw/zinc/38/20/47/179382047.db2.gz GKJQZIVPVYRCLL-CYBMUJFWSA-N 0 3 270.760 2.029 10 0 CEAEHN CC[C@](C)(O)CN[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087027806 179381591 /nfs/dbraw/zinc/38/15/91/179381591.db2.gz MLBCDVDRQNRMQA-WFASDCNBSA-N 0 3 264.369 2.073 10 0 CEAEHN COc1ccc([C@@H](CN)NC(=O)OC(C)(C)C)cc1F ZINC000086991941 179375574 /nfs/dbraw/zinc/37/55/74/179375574.db2.gz DJISSLZFLNGBSY-LLVKDONJSA-N 0 3 284.331 2.359 10 0 CEAEHN O=C(CNCC1(O)CCCC1)Nc1cccc(Cl)c1 ZINC000087028970 179382511 /nfs/dbraw/zinc/38/25/11/179382511.db2.gz GIPAOJDTTRMCGJ-UHFFFAOYSA-N 0 3 282.771 2.173 10 0 CEAEHN C[C@@H]1CCC[C@@](O)(CNCC(=O)Nc2ccc(F)cc2)C1 ZINC000087064335 179390070 /nfs/dbraw/zinc/39/00/70/179390070.db2.gz OAMHVGVOMKUPCK-WBMJQRKESA-N 0 3 294.370 2.295 10 0 CEAEHN COc1ccc(C[C@@]2(C)CNCC(C)(C)O2)cc1OC ZINC000087090399 179394024 /nfs/dbraw/zinc/39/40/24/179394024.db2.gz LZSKLHLJMAINRX-INIZCTEOSA-N 0 3 279.380 2.403 10 0 CEAEHN C[C@@H](N)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000087153070 179397961 /nfs/dbraw/zinc/39/79/61/179397961.db2.gz KNVWPXQMPLNIFP-RXMQYKEDSA-N 0 3 277.549 2.388 10 0 CEAEHN Cc1nn(C)cc1-c1csc(CNC(C)C)n1 ZINC000087410405 179421807 /nfs/dbraw/zinc/42/18/07/179421807.db2.gz JZCJJQVNKYNNSS-UHFFFAOYSA-N 0 3 250.371 2.350 10 0 CEAEHN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)[C@H]1CCCO1 ZINC000248494469 539636545 /nfs/dbraw/zinc/63/65/45/539636545.db2.gz KKUQVVGZUZCUHH-VNHYZAJKSA-N 0 3 297.420 2.006 10 0 CEAEHN Cc1ccccc1CNC(=O)[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000248619276 539638297 /nfs/dbraw/zinc/63/82/97/539638297.db2.gz SMGFOOHHAICHDU-OFQRWUPVSA-N 0 3 290.407 2.157 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2ccnc(C)n2)C12CCC2 ZINC000087710419 179475726 /nfs/dbraw/zinc/47/57/26/179475726.db2.gz RRRVYKRPSJFHEL-UONOGXRCSA-N 0 3 261.369 2.222 10 0 CEAEHN CCCN[C@@H](CC(N)=O)c1cccc(OCC)c1 ZINC000087551652 179445509 /nfs/dbraw/zinc/44/55/09/179445509.db2.gz KQAIMZPMYAXISQ-ZDUSSCGKSA-N 0 3 250.342 2.001 10 0 CEAEHN CC(C)(C)N1CCN[C@H](c2ccc3ccnnc3c2)C1 ZINC000616633686 348542200 /nfs/dbraw/zinc/54/22/00/348542200.db2.gz DWGLAUVWAHHTMT-HNNXBMFYSA-N 0 3 270.380 2.375 10 0 CEAEHN CC(C)N1CCCOC[C@H]1c1cccc(CCO)c1 ZINC000616644413 348545351 /nfs/dbraw/zinc/54/53/51/348545351.db2.gz CVURTKHGMFKUBU-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN c1ccc(CN2CCCO[C@@H](c3ccncn3)C2)cc1 ZINC000616652188 348548706 /nfs/dbraw/zinc/54/87/06/348548706.db2.gz ULBAHWCIECIXTJ-MRXNPFEDSA-N 0 3 269.348 2.440 10 0 CEAEHN CC(C)N1CCOC[C@H](c2cc3ccccc3nn2)C1 ZINC000616658284 348550407 /nfs/dbraw/zinc/55/04/07/348550407.db2.gz CTFIDUFJAZWYMS-CQSZACIVSA-N 0 3 271.364 2.454 10 0 CEAEHN COC(=O)c1cnc(-c2ccccc2)nc1[C@H]1CCCN1 ZINC000616580022 348526280 /nfs/dbraw/zinc/52/62/80/348526280.db2.gz STIHXXAVCBPBLY-CYBMUJFWSA-N 0 3 283.331 2.355 10 0 CEAEHN CCN1CCO[C@H](c2cccc(NC(C)=O)c2)CC1 ZINC000616592397 348527876 /nfs/dbraw/zinc/52/78/76/348527876.db2.gz DFVCXTXODSLEJV-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN CC(C)N1CCOCC[C@@H]1c1ccccc1CCO ZINC000616598180 348529143 /nfs/dbraw/zinc/52/91/43/348529143.db2.gz HUUJGCZVTUWWBH-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN CCN1CCOCC[C@@H]1c1cnnc2ccccc21 ZINC000616598194 348529219 /nfs/dbraw/zinc/52/92/19/348529219.db2.gz ICQCJTPJQSGGIC-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(C)(C)N1CCO[C@@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616596242 348529522 /nfs/dbraw/zinc/52/95/22/348529522.db2.gz TZBSQLSDSRMMBJ-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN CCN1CCCO[C@H](c2cccc(NC(C)=O)c2)C1 ZINC000616599513 348530549 /nfs/dbraw/zinc/53/05/49/348530549.db2.gz VYOFTKSEDZGTHW-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN OCCN1CCCC[C@@H]1c1ccc2nnccc2c1 ZINC000616614526 348534965 /nfs/dbraw/zinc/53/49/65/348534965.db2.gz UJSLBHDZPDWUAF-OAHLLOKOSA-N 0 3 257.337 2.149 10 0 CEAEHN OCCN1CCC[C@@H](c2cccc3cccnc32)C1 ZINC000616619996 348536641 /nfs/dbraw/zinc/53/66/41/348536641.db2.gz DNVLQDDLIULBDY-CQSZACIVSA-N 0 3 256.349 2.407 10 0 CEAEHN Nc1ccc([C@H]2CCN(Cc3ccccc3)CCO2)cn1 ZINC000616663646 348553555 /nfs/dbraw/zinc/55/35/55/348553555.db2.gz VQESZDZGXOIFEV-MRXNPFEDSA-N 0 3 283.375 2.458 10 0 CEAEHN COc1ccccc1C[C@@H](C)N(C)C(=O)[C@@H](N)CC(C)C ZINC000088200128 179565099 /nfs/dbraw/zinc/56/50/99/179565099.db2.gz LGRUZLTZSOGBBM-HIFRSBDPSA-N 0 3 292.423 2.458 10 0 CEAEHN OCCc1cccc([C@H]2c3ccccc3CCN2CCO)c1 ZINC000616679357 348558279 /nfs/dbraw/zinc/55/82/79/348558279.db2.gz UMVJIGREWKKAAH-IBGZPJMESA-N 0 3 297.398 2.161 10 0 CEAEHN CC(C)N1CCO[C@H](c2ccc(CCO)cc2)CC1 ZINC000616687309 348560865 /nfs/dbraw/zinc/56/08/65/348560865.db2.gz TXBMSMWYAXNICP-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN CC(C)(C)N1CCO[C@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616687311 348560916 /nfs/dbraw/zinc/56/09/16/348560916.db2.gz TZBSQLSDSRMMBJ-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN C[C@H](CN)S(=O)(=O)Nc1ccccc1-c1ccccc1 ZINC000088471909 179610092 /nfs/dbraw/zinc/61/00/92/179610092.db2.gz BGJWFDATPKFTEM-GFCCVEGCSA-N 0 3 290.388 2.443 10 0 CEAEHN CCNCc1cccc(S(=O)(=O)N[C@@H](C)CC)c1C ZINC000088978293 179689463 /nfs/dbraw/zinc/68/94/63/179689463.db2.gz IONAJHWZSAOWLO-NSHDSACASA-N 0 3 284.425 2.181 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(C)cc2Cl)C1 ZINC000233519258 539672621 /nfs/dbraw/zinc/67/26/21/539672621.db2.gz BAHVNITUISBRES-CQSZACIVSA-N 0 3 282.815 2.459 10 0 CEAEHN Cc1nn(C)c(COc2ccc3c(c2)OC[C@H]3N)c1Cl ZINC000089231443 179758625 /nfs/dbraw/zinc/75/86/25/179758625.db2.gz PIIGDFFLBNKNDM-LLVKDONJSA-N 0 3 293.754 2.353 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1O[C@@H](CC)C(N)=O ZINC000104333337 185972696 /nfs/dbraw/zinc/97/26/96/185972696.db2.gz WEMRIXYOIGYWHS-AAEUAGOBSA-N 0 3 264.369 2.308 10 0 CEAEHN C[C@](O)(CO)CNCc1sc2ccccc2c1Cl ZINC000090284552 179949136 /nfs/dbraw/zinc/94/91/36/179949136.db2.gz GGWOCTLZAORFOX-CYBMUJFWSA-N 0 3 285.796 2.388 10 0 CEAEHN CC(C)Cc1ccc(CN[C@@H]2CCOC[C@@H]2O)cc1 ZINC000623765675 350106431 /nfs/dbraw/zinc/10/64/31/350106431.db2.gz VZJVGCCHXGEQLH-CVEARBPZSA-N 0 3 263.381 2.125 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1ccc(F)c(C(F)(F)F)c1 ZINC000623767295 350107330 /nfs/dbraw/zinc/10/73/30/350107330.db2.gz TXNISVUSEQWPHE-NEPJUHHUSA-N 0 3 293.260 2.084 10 0 CEAEHN C[C@]1(c2nc3cc(Cl)ccc3o2)COC[C@H]1N ZINC000090574331 180008362 /nfs/dbraw/zinc/00/83/62/180008362.db2.gz GCQIFCLUSKVTLQ-PWSUYJOCSA-N 0 3 252.701 2.096 10 0 CEAEHN CCCCc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2N)cc1 ZINC000090582904 180008419 /nfs/dbraw/zinc/00/84/19/180008419.db2.gz ROYLSMDEBDPNJI-HOCLYGCPSA-N 0 3 276.380 2.332 10 0 CEAEHN C[C@]1(C(=O)Nc2ccccc2C(F)(F)F)COC[C@H]1N ZINC000090580302 180008755 /nfs/dbraw/zinc/00/87/55/180008755.db2.gz LLSWDPUZTJBTEQ-PWSUYJOCSA-N 0 3 288.269 2.008 10 0 CEAEHN CC[C@H](C)Oc1cccc(NC(=O)[C@]2(C)COC[C@@H]2N)c1 ZINC000090602816 180011344 /nfs/dbraw/zinc/01/13/44/180011344.db2.gz LHZDJROULUXRTG-HZUKXOBISA-N 0 3 292.379 2.166 10 0 CEAEHN C[C@H](OC[C@@H](N)c1ccc2c(c1)OCO2)C(F)(F)F ZINC000090672242 180020757 /nfs/dbraw/zinc/02/07/57/180020757.db2.gz XQMRDBFBKIRLEX-IONNQARKSA-N 0 3 277.242 2.383 10 0 CEAEHN C[C@H](OCCC(=O)Nc1cccc(CN)c1)C(F)(F)F ZINC000090671940 180020906 /nfs/dbraw/zinc/02/09/06/180020906.db2.gz UACMSQMORKRWBW-VIFPVBQESA-N 0 3 290.285 2.441 10 0 CEAEHN CN[C@@H](c1cnccc1C)[C@H]1COc2ccccc2O1 ZINC000090710180 180027966 /nfs/dbraw/zinc/02/79/66/180027966.db2.gz WLJRONVJZXMGOW-CVEARBPZSA-N 0 3 270.332 2.491 10 0 CEAEHN C[C@H](CN[C@@H](C)c1cc(F)cc(F)c1)[S@](C)=O ZINC000090843193 180044517 /nfs/dbraw/zinc/04/45/17/180044517.db2.gz WONDSUMTIUPQNY-KSRUKNBBSA-N 0 3 261.337 2.382 10 0 CEAEHN Cc1cccnc1CNC[C@H]1Cc2ccccc2O1 ZINC000090874633 180051209 /nfs/dbraw/zinc/05/12/09/180051209.db2.gz AHODQIZOTYIBSQ-CQSZACIVSA-N 0 3 254.333 2.483 10 0 CEAEHN CC(C)NCc1cnn(C[C@@H]2Cc3ccccc3O2)c1 ZINC000090877766 180051781 /nfs/dbraw/zinc/05/17/81/180051781.db2.gz TXBWILZBLIYTQY-HNNXBMFYSA-N 0 3 271.364 2.385 10 0 CEAEHN COc1ncccc1CNC[C@H]1Cc2cc(C)ccc2O1 ZINC000090897440 180057287 /nfs/dbraw/zinc/05/72/87/180057287.db2.gz HEWSQACWPNSYAF-OAHLLOKOSA-N 0 3 284.359 2.492 10 0 CEAEHN COc1ccc(CNC[C@H]2Cc3cc(C)ccc3O2)cn1 ZINC000090897990 180057476 /nfs/dbraw/zinc/05/74/76/180057476.db2.gz PVBVYNZTVYQBDU-OAHLLOKOSA-N 0 3 284.359 2.492 10 0 CEAEHN Cc1ccc2c(c1)C[C@@H](Cn1nccc1CNC1CC1)O2 ZINC000090901940 180059901 /nfs/dbraw/zinc/05/99/01/180059901.db2.gz HNEYBZMPJVAUJR-INIZCTEOSA-N 0 3 283.375 2.447 10 0 CEAEHN CCn1c(C[C@@H]2CSCCN2)nc2c1cccc2F ZINC000091128594 180100258 /nfs/dbraw/zinc/10/02/58/180100258.db2.gz CFXSQXWMGKWPNW-SNVBAGLBSA-N 0 3 279.384 2.443 10 0 CEAEHN COc1ccc(NC(=O)C[C@@H]2CSCCN2)cc1C ZINC000091290500 180121732 /nfs/dbraw/zinc/12/17/32/180121732.db2.gz KQKVUKFMIMMVQT-GFCCVEGCSA-N 0 3 280.393 2.037 10 0 CEAEHN CC[C@@H](NC(=O)C[C@@H]1CSCCN1)c1ccccc1 ZINC000091290945 180122589 /nfs/dbraw/zinc/12/25/89/180122589.db2.gz GOVAGWJZIPKFCR-ZIAGYGMSSA-N 0 3 278.421 2.349 10 0 CEAEHN O=C(C[C@@H]1CNCCO1)Nc1cc(Cl)ccc1Cl ZINC000091298876 180125474 /nfs/dbraw/zinc/12/54/74/180125474.db2.gz BRNZKBHDRQHADH-SECBINFHSA-N 0 3 289.162 2.310 10 0 CEAEHN CNCc1cncc(Oc2cccc(N(C)C)c2)n1 ZINC000091435028 180154536 /nfs/dbraw/zinc/15/45/36/180154536.db2.gz APYCTIORHVUBMK-UHFFFAOYSA-N 0 3 258.325 2.054 10 0 CEAEHN CN(Cc1ccc(Cl)cc1N)CC1CC(O)C1 ZINC000091451672 180159064 /nfs/dbraw/zinc/15/90/64/180159064.db2.gz PQWCACXBEZPDCA-UHFFFAOYSA-N 0 3 254.761 2.125 10 0 CEAEHN CN(C)[C@@H]1CCCN(CC(=O)c2c(F)cccc2F)C1 ZINC000091395573 180146012 /nfs/dbraw/zinc/14/60/12/180146012.db2.gz BBDZVJBNEYSZKF-LLVKDONJSA-N 0 3 282.334 2.174 10 0 CEAEHN CN(C)[C@H]1CCCN(CC(=O)c2ccc(F)cc2)C1 ZINC000091395306 180146094 /nfs/dbraw/zinc/14/60/94/180146094.db2.gz ISDHDWMBWIQPQY-AWEZNQCLSA-N 0 3 264.344 2.034 10 0 CEAEHN Cc1cc(C)n(-c2cncc(CNCC(C)C)n2)n1 ZINC000091422354 180151165 /nfs/dbraw/zinc/15/11/65/180151165.db2.gz HHJYADNJJXAHNP-UHFFFAOYSA-N 0 3 259.357 2.025 10 0 CEAEHN Cc1ccc(C)c([C@H](N)C(C)(C)N2CCOCC2)c1 ZINC000091566305 180194084 /nfs/dbraw/zinc/19/40/84/180194084.db2.gz LDIVOEAAVXHGHR-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN Cc1cc(C)cc([C@H](N)C(C)(C)N2CCOCC2)c1 ZINC000091566068 180194220 /nfs/dbraw/zinc/19/42/20/180194220.db2.gz LYVJTZIXZOERRE-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN CCN[C@H](c1ccoc1)C(C)(C)N1CCOCC1 ZINC000091566997 180194813 /nfs/dbraw/zinc/19/48/13/180194813.db2.gz OQHORZQUHMSNEY-CYBMUJFWSA-N 0 3 252.358 2.041 10 0 CEAEHN CCCc1nn(C)c(N2CC[C@@H](N3CCCCC3)C2)c1N ZINC000091578667 180198188 /nfs/dbraw/zinc/19/81/88/180198188.db2.gz DARDOSKQFUDCOC-CYBMUJFWSA-N 0 3 291.443 2.019 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccccc1F)N1CCOCC1 ZINC000091611880 180206447 /nfs/dbraw/zinc/20/64/47/180206447.db2.gz FNVFXFAWOXPUHZ-LSDHHAIUSA-N 0 3 266.360 2.326 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091611921 180206514 /nfs/dbraw/zinc/20/65/14/180206514.db2.gz AHMLPUMDAANFFD-CABCVRRESA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@@](C)([C@H](O)CC1CCCC1)N1CCOCC1 ZINC000091611213 180206700 /nfs/dbraw/zinc/20/67/00/180206700.db2.gz AKXASBBTILOFLN-CABCVRRESA-N 0 3 255.402 2.429 10 0 CEAEHN CCC(CC)(C(=O)Cc1ncnn1C(C)C)N(C)C ZINC000091613373 180207917 /nfs/dbraw/zinc/20/79/17/180207917.db2.gz PUXZYPCLCWNWDQ-UHFFFAOYSA-N 0 3 266.389 2.091 10 0 CEAEHN CCN(CC)C(C)(C)C(=O)Cc1cc(C)nn1CC ZINC000091529775 180180701 /nfs/dbraw/zinc/18/07/01/180180701.db2.gz FPDUIEXNWUEEIV-UHFFFAOYSA-N 0 3 265.401 2.443 10 0 CEAEHN CCCN[C@@H](c1nccn1C)C(C)(C)N1CCCC1 ZINC000091536229 180181991 /nfs/dbraw/zinc/18/19/91/180181991.db2.gz RUNTZHMXVZSEGJ-ZDUSSCGKSA-N 0 3 264.417 2.335 10 0 CEAEHN CN[C@H](c1cncc(F)c1)C(C)(C)N1CCCC1 ZINC000091534836 180182205 /nfs/dbraw/zinc/18/22/05/180182205.db2.gz RJZUMIYGBNWGDN-CYBMUJFWSA-N 0 3 251.349 2.356 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@@H](N[C@@H](C)Cc2ccsc2)C1=O ZINC000105034592 186038566 /nfs/dbraw/zinc/03/85/66/186038566.db2.gz JQRWGTOJABLCOW-GMXVVIOVSA-N 0 3 294.420 2.195 10 0 CEAEHN CCC(CC)([C@@H](NC)c1cnccn1)N1CCCC1 ZINC000091635091 180210981 /nfs/dbraw/zinc/21/09/81/180210981.db2.gz MTRLSHHUFYTJOR-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN CCCN[C@H](c1ccccc1F)[C@@H]1CN(C)CCO1 ZINC000091719227 180234442 /nfs/dbraw/zinc/23/44/42/180234442.db2.gz QVCHEJXQOWJQPH-LSDHHAIUSA-N 0 3 266.360 2.197 10 0 CEAEHN CCCN[C@H](c1csc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719465 180234538 /nfs/dbraw/zinc/23/45/38/180234538.db2.gz QWBKGDCYEUXRGQ-ZIAGYGMSSA-N 0 3 268.426 2.428 10 0 CEAEHN COc1ccc(Cl)cc1[C@H](N)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720661 180236438 /nfs/dbraw/zinc/23/64/38/180236438.db2.gz PJSWCSRBIQTXPM-UGFHNGPFSA-N 0 3 296.798 2.212 10 0 CEAEHN N[C@H](c1cccc(Cl)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720522 180236618 /nfs/dbraw/zinc/23/66/18/180236618.db2.gz WYRGCTZFBUCEOH-HZSPNIEDSA-N 0 3 266.772 2.203 10 0 CEAEHN CCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2N)o1 ZINC000091777298 180251893 /nfs/dbraw/zinc/25/18/93/180251893.db2.gz QVJBWHUCALCEMY-DZGCQCFKSA-N 0 3 270.332 2.197 10 0 CEAEHN Cc1noc(CCNCc2cccc(Cl)c2)n1 ZINC000105470215 186059713 /nfs/dbraw/zinc/05/97/13/186059713.db2.gz BAGIRHDRNSVFHX-UHFFFAOYSA-N 0 3 251.717 2.364 10 0 CEAEHN CC1CCN(C(=O)N[C@@H]2c3ccccc3C[C@H]2N)CC1 ZINC000091993159 180300557 /nfs/dbraw/zinc/30/05/57/180300557.db2.gz HSLQLURAHGSVQR-HUUCEWRRSA-N 0 3 273.380 2.053 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H]2n2ccnc2)n1 ZINC000091994161 180301016 /nfs/dbraw/zinc/30/10/16/180301016.db2.gz ZJHBQIVWUYZJRG-TZMCWYRMSA-N 0 3 272.352 2.176 10 0 CEAEHN CCNCc1nc(C)ccc1OCc1ncc(Cl)n1C ZINC000091994661 180301243 /nfs/dbraw/zinc/30/12/43/180301243.db2.gz MWHLYECCZKJQGT-UHFFFAOYSA-N 0 3 294.786 2.465 10 0 CEAEHN CCCNC(=O)COc1ccc(C)nc1CNC(C)(C)C ZINC000091996222 180302415 /nfs/dbraw/zinc/30/24/15/180302415.db2.gz FJGYDMKLODSKKN-UHFFFAOYSA-N 0 3 293.411 2.183 10 0 CEAEHN COCCNCc1sc(N2C[C@H](C)[C@@H](C)C2)nc1C ZINC000092089813 180321437 /nfs/dbraw/zinc/32/14/37/180321437.db2.gz XCUYUCQSUJHIQH-QWRGUYRKSA-N 0 3 283.441 2.280 10 0 CEAEHN COC(=O)CCN(C)C[C@H]1Cc2ccccc2S1 ZINC000092270222 180355644 /nfs/dbraw/zinc/35/56/44/180355644.db2.gz JDDUFAFFSXYFHP-GFCCVEGCSA-N 0 3 265.378 2.198 10 0 CEAEHN C[C@@]1(NC[C@H]2CSc3ccccc32)CCS(=O)(=O)C1 ZINC000092275309 180356325 /nfs/dbraw/zinc/35/63/25/180356325.db2.gz JFHVUADXTJAJIU-SMDDNHRTSA-N 0 3 297.445 2.043 10 0 CEAEHN Cc1nn(C[C@H]2Cc3ccccc3S2)cc1CN ZINC000092271858 180356471 /nfs/dbraw/zinc/35/64/71/180356471.db2.gz AKCXTSWALBZQIP-CYBMUJFWSA-N 0 3 259.378 2.367 10 0 CEAEHN CCN[C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1C ZINC000105832579 186076690 /nfs/dbraw/zinc/07/66/90/186076690.db2.gz LBHSNNSPSXNVOQ-DZGCQCFKSA-N 0 3 288.391 2.349 10 0 CEAEHN CCOCCN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105922300 186090222 /nfs/dbraw/zinc/09/02/22/186090222.db2.gz LNKRYKVUYVVNOG-CYBMUJFWSA-N 0 3 251.374 2.210 10 0 CEAEHN C[C@@H](c1ccccc1F)N1CCO[C@H](CN(C)C)C1 ZINC000105924565 186091552 /nfs/dbraw/zinc/09/15/52/186091552.db2.gz BRBPWRZUHQZYBD-QWHCGFSZSA-N 0 3 266.360 2.149 10 0 CEAEHN CCOC(=O)C[C@@H](N)c1cc(C)nc2ccccc21 ZINC000092344491 180366203 /nfs/dbraw/zinc/36/62/03/180366203.db2.gz YOGNSEJUTFDXQK-CYBMUJFWSA-N 0 3 258.321 2.496 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2cccc(NC)n2)CC1 ZINC000092370245 180369791 /nfs/dbraw/zinc/36/97/91/180369791.db2.gz KODNRBDDFHPYIQ-CYBMUJFWSA-N 0 3 262.401 2.039 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@@H](Sc1nnc(C)o1)CC2 ZINC000092389897 180375353 /nfs/dbraw/zinc/37/53/53/180375353.db2.gz DLOJJQKHVBPIFI-QWHCGFSZSA-N 0 3 291.376 2.494 10 0 CEAEHN Cc1ncc(CN[C@H](CO)C(C)C)n1-c1ccccc1 ZINC000092394074 180376696 /nfs/dbraw/zinc/37/66/96/180376696.db2.gz MEDBDWSNHPDNTF-MRXNPFEDSA-N 0 3 273.380 2.287 10 0 CEAEHN CCN1CCC[C@H](NC2=N[C@@H](C(C)C)CS2)C1 ZINC000092402329 180377559 /nfs/dbraw/zinc/37/75/59/180377559.db2.gz YUJFFHPFXLEFAJ-NWDGAFQWSA-N 0 3 255.431 2.188 10 0 CEAEHN CCC[C@@H](CC)N[C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000106534176 186125704 /nfs/dbraw/zinc/12/57/04/186125704.db2.gz QJZRGSVVJPLUSV-YPMHNXCESA-N 0 3 266.385 2.225 10 0 CEAEHN CCNc1ccnc(CN2CCSC[C@@H]2C)c1 ZINC000092419284 180381940 /nfs/dbraw/zinc/38/19/40/180381940.db2.gz STZRZZMVWAVCLK-NSHDSACASA-N 0 3 251.399 2.451 10 0 CEAEHN CNc1ccnc(CSc2ncnc3[nH]cnc32)c1 ZINC000092420947 180382156 /nfs/dbraw/zinc/38/21/56/180382156.db2.gz WLWFMDHQBSWPGT-UHFFFAOYSA-N 0 3 272.337 2.082 10 0 CEAEHN CCCC[C@H](C)N[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000106785119 186135161 /nfs/dbraw/zinc/13/51/61/186135161.db2.gz HBIUIPRYRAAHBI-JSGCOSHPSA-N 0 3 274.364 2.487 10 0 CEAEHN Cc1ccnc(N2CCN(Cc3ccccc3)C[C@@H](O)C2)c1 ZINC000108272536 186210088 /nfs/dbraw/zinc/21/00/88/186210088.db2.gz UEGLEDPCAGEOKB-QGZVFWFLSA-N 0 3 297.402 2.073 10 0 CEAEHN CSC[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000108959170 186238115 /nfs/dbraw/zinc/23/81/15/186238115.db2.gz GDRIMGYSSLVHQX-JSGCOSHPSA-N 0 3 280.437 2.405 10 0 CEAEHN COC[C@@H](N)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000109506079 186257408 /nfs/dbraw/zinc/25/74/08/186257408.db2.gz BZLZFTZKOOCTQP-ZDUSSCGKSA-N 0 3 275.352 2.376 10 0 CEAEHN CCN(CC)CCc1nc(N)c2c(n1)CCCCC2 ZINC000109521787 186259224 /nfs/dbraw/zinc/25/92/24/186259224.db2.gz JJRRFPBZYLOLSH-UHFFFAOYSA-N 0 3 262.401 2.212 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@H]2CCCOC2)c1C ZINC000109546072 186261457 /nfs/dbraw/zinc/26/14/57/186261457.db2.gz SBDIPYXUQOYJHJ-MFKMUULPSA-N 0 3 251.374 2.349 10 0 CEAEHN COc1ccc(CN[C@H]2CCCCC[C@H]2O)c(OC)c1 ZINC000109554117 186262649 /nfs/dbraw/zinc/26/26/49/186262649.db2.gz UUTYTHBVJQUEMM-LSDHHAIUSA-N 0 3 279.380 2.487 10 0 CEAEHN COc1ccc(CN[C@@H]2CCCCC[C@@H]2O)c(OC)c1 ZINC000109554109 186262792 /nfs/dbraw/zinc/26/27/92/186262792.db2.gz UUTYTHBVJQUEMM-CABCVRRESA-N 0 3 279.380 2.487 10 0 CEAEHN Nc1cccc(F)c1CN1CCCC[C@@H]1CCO ZINC000109427039 186251885 /nfs/dbraw/zinc/25/18/85/186251885.db2.gz OJJPWVRNZCIWBF-LLVKDONJSA-N 0 3 252.333 2.145 10 0 CEAEHN Cn1cnnc1CCNCc1ccc(Cl)c(Cl)c1 ZINC000109420856 186252015 /nfs/dbraw/zinc/25/20/15/186252015.db2.gz LITKFCGGRLVKKR-UHFFFAOYSA-N 0 3 285.178 2.454 10 0 CEAEHN CCCC[C@@H](CC)CN1CCN([C@@H](C)C(N)=S)CC1 ZINC000109468025 186254437 /nfs/dbraw/zinc/25/44/37/186254437.db2.gz PMIYMICFJKTODM-UONOGXRCSA-N 0 3 285.501 2.495 10 0 CEAEHN Cc1nnc(Sc2cccc(F)c2[C@H](C)N)n1C ZINC000110368797 186294754 /nfs/dbraw/zinc/29/47/54/186294754.db2.gz XTLFKSBZNJBLGS-ZETCQYMHSA-N 0 3 266.345 2.434 10 0 CEAEHN CC[C@@H](C(N)=S)N1CCN(Cc2cccc(F)c2)CC1 ZINC000110460815 186297228 /nfs/dbraw/zinc/29/72/28/186297228.db2.gz KHYNYMJTWOKBNA-AWEZNQCLSA-N 0 3 295.427 2.008 10 0 CEAEHN CCCN[C@H](Cc1cnn(C)c1)c1cccc(C)n1 ZINC000110475387 186297771 /nfs/dbraw/zinc/29/77/71/186297771.db2.gz YRZLGNJVDVJLIR-OAHLLOKOSA-N 0 3 258.369 2.407 10 0 CEAEHN CCc1nc(-c2ccc3c(c2)OCO3)nc(NN)c1C ZINC000110477627 186298731 /nfs/dbraw/zinc/29/87/31/186298731.db2.gz UPHUEEJSUMABTO-UHFFFAOYSA-N 0 3 272.308 2.029 10 0 CEAEHN CCOC[C@H](C)n1c(N)nc2cc(F)c(OC)cc21 ZINC000110629967 186307565 /nfs/dbraw/zinc/30/75/65/186307565.db2.gz WVCYJYCRCUYHIM-QMMMGPOBSA-N 0 3 267.304 2.364 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2C[C@H]1CCCCO1 ZINC000110629901 186307698 /nfs/dbraw/zinc/30/76/98/186307698.db2.gz VLOGOJABENWJAD-SECBINFHSA-N 0 3 279.315 2.335 10 0 CEAEHN C[C@@H]1CCCN(c2nc3sccn3c2CN)CC1 ZINC000110807532 186326194 /nfs/dbraw/zinc/32/61/94/186326194.db2.gz RGMSDQZKWXTTBG-SNVBAGLBSA-N 0 3 264.398 2.481 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)CC1CCCC1)NC(C)C ZINC000110841281 186328069 /nfs/dbraw/zinc/32/80/69/186328069.db2.gz VVDDDRJATABQHR-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN Cc1ccc([C@H](NC2CCCC2)C(N)=O)cc1F ZINC000110978245 186338904 /nfs/dbraw/zinc/33/89/04/186338904.db2.gz NNJITGWBOPRJRW-ZDUSSCGKSA-N 0 3 250.317 2.193 10 0 CEAEHN CN1CCN(Cc2cc3ccccc3nc2N)CC1(C)C ZINC000110743126 186318761 /nfs/dbraw/zinc/31/87/61/186318761.db2.gz LLUFPMHNSDWFKY-UHFFFAOYSA-N 0 3 284.407 2.343 10 0 CEAEHN CN1CCN(CCNc2cccc(F)c2)CC1(C)C ZINC000110758018 186321217 /nfs/dbraw/zinc/32/12/17/186321217.db2.gz NHUKIGROLBZYTR-UHFFFAOYSA-N 0 3 265.376 2.264 10 0 CEAEHN C[C@H]1CN(Cc2occc2CNC(C)(C)C)CCN1C ZINC000110751543 186321989 /nfs/dbraw/zinc/32/19/89/186321989.db2.gz UWWVNWJJJDSMEX-ZDUSSCGKSA-N 0 3 279.428 2.304 10 0 CEAEHN CCOC(CCN(CCO)Cc1ccccc1)OCC ZINC000110785880 186324094 /nfs/dbraw/zinc/32/40/94/186324094.db2.gz DDEORPITGFDXEL-UHFFFAOYSA-N 0 3 281.396 2.270 10 0 CEAEHN CCCOCCOC[C@@H](N)c1cc(OC)ccc1OC ZINC000111107655 186352951 /nfs/dbraw/zinc/35/29/51/186352951.db2.gz UOPZSZVDOPPBRX-CQSZACIVSA-N 0 3 283.368 2.147 10 0 CEAEHN COC(CN[C@H](C)Cc1cccc(Cl)c1)OC ZINC000111112264 186353771 /nfs/dbraw/zinc/35/37/71/186353771.db2.gz XXXSRVHJVOMEEJ-SNVBAGLBSA-N 0 3 257.761 2.480 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1ccc(F)c(F)c1 ZINC000111117680 186354898 /nfs/dbraw/zinc/35/48/98/186354898.db2.gz NPEWGKSVROGVHD-AWEZNQCLSA-N 0 3 272.339 2.323 10 0 CEAEHN Cc1ccccc1N(C)C(=O)c1ccc(CN)cn1 ZINC000111282219 186387957 /nfs/dbraw/zinc/38/79/57/186387957.db2.gz IXIJKIDFXGEADO-UHFFFAOYSA-N 0 3 255.321 2.125 10 0 CEAEHN C[C@H](NC(=O)c1ccc(CN)cn1)c1cccc(F)c1 ZINC000111281856 186388059 /nfs/dbraw/zinc/38/80/59/186388059.db2.gz ZOIQUAVKEAAPAD-JTQLQIEISA-N 0 3 273.311 2.170 10 0 CEAEHN Cc1ccc(C)c(NC(=O)c2ccc(CN)cn2)c1 ZINC000111281065 186388465 /nfs/dbraw/zinc/38/84/65/186388465.db2.gz XDIBUFWBRHNQEK-UHFFFAOYSA-N 0 3 255.321 2.409 10 0 CEAEHN Cc1nc(Cl)c(C)c(N[C@H]2CN3CCC2CC3)n1 ZINC000111295898 186391814 /nfs/dbraw/zinc/39/18/14/186391814.db2.gz NDCPNWHABPQOHO-NSHDSACASA-N 0 3 266.776 2.253 10 0 CEAEHN Cc1nc(CN2C[C@@H]3CCCCN3C[C@@H]2C)[nH]c1C ZINC000628180234 350993588 /nfs/dbraw/zinc/99/35/88/350993588.db2.gz HHADIHGZJMYIJZ-FZMZJTMJSA-N 0 3 262.401 2.085 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1ccc(F)cc1C(F)(F)F ZINC000628467532 351108232 /nfs/dbraw/zinc/10/82/32/351108232.db2.gz XUMMCKWXZTZNMT-NEPJUHHUSA-N 0 3 293.260 2.084 10 0 CEAEHN Clc1cccc(-c2ccc(N3CCNCC3)nn2)c1 ZINC000070458893 363085957 /nfs/dbraw/zinc/08/59/57/363085957.db2.gz SRBBFINYFJDJPD-UHFFFAOYSA-N 0 3 274.755 2.207 10 0 CEAEHN CCc1nc(C)c([C@@H](C)NC[C@H](C)N2CCOCC2)s1 ZINC000123237948 187079781 /nfs/dbraw/zinc/07/97/81/187079781.db2.gz ZXFAPJNBLSCAGO-NWDGAFQWSA-N 0 3 297.468 2.385 10 0 CEAEHN COc1ccc(Br)c2c1CN[C@H](C)C2 ZINC000070653038 363102072 /nfs/dbraw/zinc/10/20/72/363102072.db2.gz LUACTYRFSJGIJR-SSDOTTSWSA-N 0 3 256.143 2.492 10 0 CEAEHN CC[C@@H](C)OCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000152482063 188022034 /nfs/dbraw/zinc/02/20/34/188022034.db2.gz ZPUQYFPGGSHWGE-HIFRSBDPSA-N 0 3 278.396 2.221 10 0 CEAEHN CCc1onc(C)c1NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000154204744 188129332 /nfs/dbraw/zinc/12/93/32/188129332.db2.gz NMAONWLYFQPDFP-LBPRGKRZSA-N 0 3 294.399 2.493 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000155491926 188210587 /nfs/dbraw/zinc/21/05/87/188210587.db2.gz WLMFCWLWFPLOKC-RISCZKNCSA-N 0 3 286.379 2.021 10 0 CEAEHN COc1c(CNc2cccc(CN(C)C)c2)c(C)nn1C ZINC000156527454 188267303 /nfs/dbraw/zinc/26/73/03/188267303.db2.gz AQBNAKCGHXIDNI-UHFFFAOYSA-N 0 3 288.395 2.411 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)CSc2ccncc2)[C@@H](C)C1 ZINC000158862498 188397217 /nfs/dbraw/zinc/39/72/17/188397217.db2.gz IDKRUHWWCLNCJG-JSGCOSHPSA-N 0 3 293.436 2.019 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(C)(C)C1 ZINC000073722310 363243011 /nfs/dbraw/zinc/24/30/11/363243011.db2.gz GTPCLXIHZRQZAU-CYBMUJFWSA-N 0 3 269.433 2.404 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc3c[nH]nc3c2)CCCCN1 ZINC000133177060 366202939 /nfs/dbraw/zinc/20/29/39/366202939.db2.gz XAURZQFSTOTEIG-CQSZACIVSA-N 0 3 258.325 2.034 10 0 CEAEHN Cn1cc(CN)cc1C(=O)C(Cl)(Cl)Cl ZINC000074942321 363425530 /nfs/dbraw/zinc/42/55/30/363425530.db2.gz BZSWVLYUMRZTLO-UHFFFAOYSA-N 0 3 255.532 2.037 10 0 CEAEHN CNc1ccc(CN(CCOC)[C@H](C)C2CC2)cn1 ZINC000050816727 522607239 /nfs/dbraw/zinc/60/72/39/522607239.db2.gz GJGFORZXHZKXQW-GFCCVEGCSA-N 0 3 263.385 2.370 10 0 CEAEHN C[C@@H]1COC[C@@]1(N)c1cscc1Br ZINC000575568363 366295921 /nfs/dbraw/zinc/29/59/21/366295921.db2.gz CNABZLJECVGOQA-MUWHJKNJSA-N 0 3 262.172 2.331 10 0 CEAEHN C[C@H]1COC[C@@]1(N)c1cscc1Br ZINC000575568364 366296163 /nfs/dbraw/zinc/29/61/63/366296163.db2.gz CNABZLJECVGOQA-RCOVLWMOSA-N 0 3 262.172 2.331 10 0 CEAEHN COc1cccc(CN[C@H]2CCCC[C@H]2O)c1F ZINC000165842766 540326655 /nfs/dbraw/zinc/32/66/55/540326655.db2.gz JYLKPVYWVQDNHW-NWDGAFQWSA-N 0 3 253.317 2.227 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(C3CC3)cc2)C1 ZINC000165910181 540327526 /nfs/dbraw/zinc/32/75/26/540327526.db2.gz AWLQMQYJQFGXTB-QGZVFWFLSA-N 0 3 274.408 2.374 10 0 CEAEHN O[C@@H]1CCC[C@@H](CN2CCOCC23CCCC3)C1 ZINC000388534049 540327880 /nfs/dbraw/zinc/32/78/80/540327880.db2.gz MLJDURPLNOXZCU-ZIAGYGMSSA-N 0 3 253.386 2.183 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1Cc1nccs1 ZINC000135127191 366399593 /nfs/dbraw/zinc/39/95/93/366399593.db2.gz QLEAABMEXOQKAQ-GFCCVEGCSA-N 0 3 262.382 2.313 10 0 CEAEHN COc1cccc(CN[C@H]2CCCCC[C@H]2O)c1OC ZINC000135658454 366465493 /nfs/dbraw/zinc/46/54/93/366465493.db2.gz QWCJEYGGTBJZSL-UONOGXRCSA-N 0 3 279.380 2.487 10 0 CEAEHN COCCN1CCN(CCc2ccccc2F)C[C@H]1C ZINC000137592820 366545767 /nfs/dbraw/zinc/54/57/67/366545767.db2.gz QHIIVEBQKNWXMX-CQSZACIVSA-N 0 3 280.387 2.021 10 0 CEAEHN CCC[C@@H](N)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000037044183 283525666 /nfs/dbraw/zinc/52/56/66/283525666.db2.gz CBJCGRYFIBCDSC-UDNWOFFPSA-N 0 3 266.307 2.351 10 0 CEAEHN NCc1ccc(-c2cccc(Br)n2)nc1 ZINC000072204082 283527643 /nfs/dbraw/zinc/52/76/43/283527643.db2.gz MVGHBHLNOFSSGY-UHFFFAOYSA-N 0 3 264.126 2.365 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccccc1 ZINC000177025023 189022022 /nfs/dbraw/zinc/02/20/22/189022022.db2.gz ACNMAGWLASXYCK-HNNXBMFYSA-N 0 3 275.396 2.312 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000177462424 189052552 /nfs/dbraw/zinc/05/25/52/189052552.db2.gz LKQLFTNOBVIYBY-HNNXBMFYSA-N 0 3 272.392 2.172 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000177761508 189067739 /nfs/dbraw/zinc/06/77/39/189067739.db2.gz DWWWGKBCSRTKKW-CJNGLKHVSA-N 0 3 296.361 2.168 10 0 CEAEHN Cc1cc(CN2CCC[C@@H]2Cn2ccnc2C)no1 ZINC000178314819 189106008 /nfs/dbraw/zinc/10/60/08/189106008.db2.gz DAVFDUBQYXUOLA-CQSZACIVSA-N 0 3 260.341 2.153 10 0 CEAEHN Cc1cnn(CCN[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000179293178 189183626 /nfs/dbraw/zinc/18/36/26/189183626.db2.gz JFRLZFZPUPHTAJ-CYBMUJFWSA-N 0 3 271.364 2.477 10 0 CEAEHN CO[C@@H](C)CCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000180852900 189280080 /nfs/dbraw/zinc/28/00/80/189280080.db2.gz UFEJZJZPYVRDFM-ZFWWWQNUSA-N 0 3 278.396 2.221 10 0 CEAEHN CC(C)n1nccc1CN[C@H]1CCCCC[C@H]1O ZINC000342282008 216290881 /nfs/dbraw/zinc/29/08/81/216290881.db2.gz OONDGBMCJGENBF-UONOGXRCSA-N 0 3 251.374 2.247 10 0 CEAEHN Cc1ccc(-c2nc(C)c(C)c(N3CCNCC3)n2)cc1 ZINC000006704845 361338986 /nfs/dbraw/zinc/33/89/86/361338986.db2.gz QFEDTBZDDFZLGF-UHFFFAOYSA-N 0 3 282.391 2.478 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCc1cccnc1 ZINC000083704298 363784900 /nfs/dbraw/zinc/78/49/00/363784900.db2.gz XGVMXYLTNGPSRL-GDBMZVCRSA-N 0 3 259.397 2.183 10 0 CEAEHN CCCCOCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000083705052 363785272 /nfs/dbraw/zinc/78/52/72/363785272.db2.gz UVNGUTXYOGQRAX-GJZGRUSLSA-N 0 3 254.418 2.362 10 0 CEAEHN COCCN1CCN(CCCc2cccc(F)c2)C[C@@H]1C ZINC000182751642 189333498 /nfs/dbraw/zinc/33/34/98/189333498.db2.gz HHRKPMRGNMQEQC-HNNXBMFYSA-N 0 3 294.414 2.411 10 0 CEAEHN CCN1CCC[C@@H]1CN(Cc1ccncc1)c1ncccn1 ZINC000301593513 201085643 /nfs/dbraw/zinc/08/56/43/201085643.db2.gz YDHXTFCUGXSQLS-MRXNPFEDSA-N 0 3 297.406 2.363 10 0 CEAEHN COC(=O)c1ccc(CN[C@H](C)[C@@H]2CCCO2)cc1F ZINC000183156605 189348680 /nfs/dbraw/zinc/34/86/80/189348680.db2.gz JBKMFSLFLWIWJU-YGRLFVJLSA-N 0 3 281.327 2.269 10 0 CEAEHN CCCCOC(=O)CCN[C@@H](CO)c1ccccc1 ZINC000183640217 189364421 /nfs/dbraw/zinc/36/44/21/189364421.db2.gz WTRZOQCALVWVRD-AWEZNQCLSA-N 0 3 265.353 2.043 10 0 CEAEHN Cc1cccc2c(N3C[C@@H]4OCCN(C)[C@H]4C3)ccnc12 ZINC000301715306 201156255 /nfs/dbraw/zinc/15/62/55/201156255.db2.gz MPEQNAIMFDYMNF-HOTGVXAUSA-N 0 3 283.375 2.062 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](C)c1ncc(C)s1)N(C)C ZINC000184017008 189374290 /nfs/dbraw/zinc/37/42/90/189374290.db2.gz YLJKHXLKMVAOLM-PWSUYJOCSA-N 0 3 283.441 2.402 10 0 CEAEHN CCC[C@H](NCc1cn[nH]c1C)C(=O)OC(C)(C)C ZINC000185068526 189403017 /nfs/dbraw/zinc/40/30/17/189403017.db2.gz RZQQAZYGLIBYGK-LBPRGKRZSA-N 0 3 267.373 2.318 10 0 CEAEHN CCn1nc(CNC[C@@H]2CCC[C@@H]2O)c2ccccc21 ZINC000089174582 363945261 /nfs/dbraw/zinc/94/52/61/363945261.db2.gz FZGZENJQBVIDHB-LRDDRELGSA-N 0 3 273.380 2.307 10 0 CEAEHN Cn1cccc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000092812922 364109519 /nfs/dbraw/zinc/10/95/19/364109519.db2.gz SPNMEBRKGWHBSV-AWEZNQCLSA-N 0 3 270.380 2.354 10 0 CEAEHN Cc1c(CNc2cccc(OCCN(C)C)c2)cnn1C ZINC000093649723 364209119 /nfs/dbraw/zinc/20/91/19/364209119.db2.gz WMRHJBBSPAGCEE-UHFFFAOYSA-N 0 3 288.395 2.281 10 0 CEAEHN COC(=O)c1ccc(Oc2ccc(CN)cn2)cc1 ZINC000098179842 364536969 /nfs/dbraw/zinc/53/69/69/364536969.db2.gz SJIQYONLPHVICI-UHFFFAOYSA-N 0 3 258.277 2.119 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NC[C@@H]2CCc3ccccc32)C1 ZINC000111879877 364765928 /nfs/dbraw/zinc/76/59/28/364765928.db2.gz BNIMIIOLGBDWGV-LSDHHAIUSA-N 0 3 287.407 2.062 10 0 CEAEHN COc1ccccc1OCCN1CCC[C@H]1CCCO ZINC000112830352 364847546 /nfs/dbraw/zinc/84/75/46/364847546.db2.gz TXFTWNGQIDJGME-AWEZNQCLSA-N 0 3 279.380 2.311 10 0 CEAEHN CSc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)ccn1 ZINC000113222358 364876265 /nfs/dbraw/zinc/87/62/65/364876265.db2.gz LGGHUOGJHMNBHY-DGCLKSJQSA-N 0 3 291.420 2.112 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Cc1noc2ccccc21 ZINC000113226558 364877027 /nfs/dbraw/zinc/87/70/27/364877027.db2.gz DHNVGNAQZMMAQT-CHWSQXEVSA-N 0 3 299.374 2.065 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC000115361885 365002236 /nfs/dbraw/zinc/00/22/36/365002236.db2.gz ZFZFNVMGHJUNIC-CYBMUJFWSA-N 0 3 289.354 2.012 10 0 CEAEHN Cn1cc([C@@H]2CCN(C[C@H](O)c3ccccc3F)C2)cn1 ZINC000116321097 365051672 /nfs/dbraw/zinc/05/16/72/365051672.db2.gz RVDQNKUJIKRDSJ-WBMJQRKESA-N 0 3 289.354 2.082 10 0 CEAEHN Cn1cc([C@@H]2CCN(CCOc3ccccc3F)C2)cn1 ZINC000116320395 365051781 /nfs/dbraw/zinc/05/17/81/365051781.db2.gz JDHZIACOMXXDPZ-CYBMUJFWSA-N 0 3 289.354 2.428 10 0 CEAEHN CN1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116521535 365059849 /nfs/dbraw/zinc/05/98/49/365059849.db2.gz OUOVMAVBTORUNZ-ZDUSSCGKSA-N 0 3 277.368 2.220 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115674950 365022109 /nfs/dbraw/zinc/02/21/09/365022109.db2.gz ZVDORPXRMAGSPY-JYVUQVBGSA-N 0 3 279.428 2.301 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)NC2CCCCCCC2)CCO1 ZINC000117023703 365088587 /nfs/dbraw/zinc/08/85/87/365088587.db2.gz OQLBDXUVDSWHPS-OAHLLOKOSA-N 0 3 297.443 2.071 10 0 CEAEHN CCCC[C@@H](CC)CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117261645 365098832 /nfs/dbraw/zinc/09/88/32/365098832.db2.gz AWHVLVRURNOHBJ-HUUCEWRRSA-N 0 3 284.444 2.382 10 0 CEAEHN CC[C@H]1CN(Cc2cccs2)CCN1C[C@@H](C)O ZINC000120701226 365462301 /nfs/dbraw/zinc/46/23/01/365462301.db2.gz VXQRFPHWPVAYGI-OLZOCXBDSA-N 0 3 268.426 2.025 10 0 CEAEHN CCc1onc(C)c1NC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245623914 370850254 /nfs/dbraw/zinc/85/02/54/370850254.db2.gz POEYACZNKMFCFM-ZYHUDNBSSA-N 0 3 294.399 2.396 10 0 CEAEHN Cc1nc(CC(=O)N[C@H](CC(C)C)CN(C)C)c(C)s1 ZINC000164972319 367299878 /nfs/dbraw/zinc/29/98/78/367299878.db2.gz QUBDLMKBSAKFGS-CYBMUJFWSA-N 0 3 297.468 2.395 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCCOC2CCCCC2)C1 ZINC000170826928 367425948 /nfs/dbraw/zinc/42/59/48/367425948.db2.gz FMADRZYSCZPVAG-AWEZNQCLSA-N 0 3 297.443 2.071 10 0 CEAEHN COCc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000171075773 367471778 /nfs/dbraw/zinc/47/17/78/367471778.db2.gz RHLBCDORTGJIJD-CQSZACIVSA-N 0 3 277.368 2.001 10 0 CEAEHN Cc1ccccc1SCC(=O)N1CC[C@H](N(C)C)C1 ZINC000170861920 367434367 /nfs/dbraw/zinc/43/43/67/367434367.db2.gz MOMTUHWLJMKUBL-ZDUSSCGKSA-N 0 3 278.421 2.250 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2)C1 ZINC000170861863 367434752 /nfs/dbraw/zinc/43/47/52/367434752.db2.gz PGAUGSZOSSNEHS-AWEZNQCLSA-N 0 3 295.814 2.228 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000170864491 367435891 /nfs/dbraw/zinc/43/58/91/367435891.db2.gz OXZKUEICISQGFK-AWEZNQCLSA-N 0 3 269.348 2.011 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCC2(O)CCC2)c1C ZINC000342804869 367547224 /nfs/dbraw/zinc/54/72/24/367547224.db2.gz AFNXPYNPQKVIEN-LLVKDONJSA-N 0 3 265.401 2.476 10 0 CEAEHN CCn1c(C)cc(C(=O)N2CCN3CCC[C@H]3C2)c1C ZINC000171279205 367513124 /nfs/dbraw/zinc/51/31/24/367513124.db2.gz LUWKPEZJEDKJAH-AWEZNQCLSA-N 0 3 275.396 2.045 10 0 CEAEHN C[C@H]1CN(C[C@H](O)Cc2ccccc2)CCS1 ZINC000171692387 367594970 /nfs/dbraw/zinc/59/49/70/367594970.db2.gz XAAJQTKFKOSAFA-GXTWGEPZSA-N 0 3 251.395 2.027 10 0 CEAEHN O=C(NCCN1CCCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171770341 367614052 /nfs/dbraw/zinc/61/40/52/367614052.db2.gz BNLCMCQBFNWRSS-OLZOCXBDSA-N 0 3 294.345 2.280 10 0 CEAEHN CCN(C[C@@H](O)COCc1ccccc1)C[C@@H]1CCCO1 ZINC000172053366 367665720 /nfs/dbraw/zinc/66/57/20/367665720.db2.gz YWAHGJHPYMOXKR-SJORKVTESA-N 0 3 293.407 2.065 10 0 CEAEHN CC[C@H]1CN(Cc2c(F)cccc2F)CCN1C[C@H](C)O ZINC000245748673 370868630 /nfs/dbraw/zinc/86/86/30/370868630.db2.gz NHVAHGSAKSBEHT-STQMWFEESA-N 0 3 298.377 2.242 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1cccs1 ZINC000172604060 367786368 /nfs/dbraw/zinc/78/63/68/367786368.db2.gz RCKLJZINDZTKNR-ZJUUUORDSA-N 0 3 297.424 2.412 10 0 CEAEHN Cn1ccc2ccc(NC(=O)N3CCN4CCC[C@@H]4C3)cc21 ZINC000173470867 367913784 /nfs/dbraw/zinc/91/37/84/367913784.db2.gz BBVKOAYZWAQXQR-OAHLLOKOSA-N 0 3 298.390 2.490 10 0 CEAEHN CN(CCc1cccs1)C[C@H](O)COC(C)(C)C ZINC000174158430 367991845 /nfs/dbraw/zinc/99/18/45/367991845.db2.gz GEAVVRBOMPJYMZ-LBPRGKRZSA-N 0 3 271.426 2.398 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000174081432 367980176 /nfs/dbraw/zinc/98/01/76/367980176.db2.gz GQXHBKSDMIEYTG-SFHVURJKSA-N 0 3 288.435 2.064 10 0 CEAEHN C[C@@H](O)CN1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000174732449 368061937 /nfs/dbraw/zinc/06/19/37/368061937.db2.gz SJHZBMAITTVDSP-UONOGXRCSA-N 0 3 285.391 2.126 10 0 CEAEHN Cc1ccccc1CCCN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000175904957 368187939 /nfs/dbraw/zinc/18/79/39/368187939.db2.gz OJOLZRJFYRAMSR-IAGOWNOFSA-N 0 3 290.451 2.315 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000175436890 368138035 /nfs/dbraw/zinc/13/80/35/368138035.db2.gz WDXRJKYPNNURQR-ZIAGYGMSSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000175436890 368138038 /nfs/dbraw/zinc/13/80/38/368138038.db2.gz WDXRJKYPNNURQR-ZIAGYGMSSA-N 0 3 288.391 2.399 10 0 CEAEHN CCn1c(C)nnc1CN[C@H](CCO)C1CCCCC1 ZINC000183714207 368644416 /nfs/dbraw/zinc/64/44/16/368644416.db2.gz IVHJNDKMWCTAJS-CQSZACIVSA-N 0 3 280.416 2.027 10 0 CEAEHN CN(CC(=O)[O-])C1CC[NH+](CCC2CCCC2)CC1 ZINC000186673697 369017095 /nfs/dbraw/zinc/01/70/95/369017095.db2.gz ZQUXOQAVWOFJMY-UHFFFAOYSA-N 0 3 268.401 2.048 10 0 CEAEHN CCC[C@H](C(=O)N1CCC([C@@H]2CCCO2)CC1)N(C)C ZINC000187585548 369182823 /nfs/dbraw/zinc/18/28/23/369182823.db2.gz QIKGWCRGRQOCMX-CABCVRRESA-N 0 3 282.428 2.134 10 0 CEAEHN O=C([C@H]1C[C@H](F)CN1)N1CCC[C@]2(CC=CCC2)C1 ZINC000188901364 369426080 /nfs/dbraw/zinc/42/60/80/369426080.db2.gz LEHAGNZZZQAUEQ-GZBFAFLISA-N 0 3 266.360 2.035 10 0 CEAEHN Cc1cccnc1NC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246469984 370965140 /nfs/dbraw/zinc/96/51/40/370965140.db2.gz ZOWWVGYAOTVDDV-OLZOCXBDSA-N 0 3 276.384 2.240 10 0 CEAEHN CCc1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000246468445 370965612 /nfs/dbraw/zinc/96/56/12/370965612.db2.gz NXIHMIQEIZHTBY-QAPCUYQASA-N 0 3 288.435 2.402 10 0 CEAEHN C[C@@H](NCC(=O)N1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000189915496 369578693 /nfs/dbraw/zinc/57/86/93/369578693.db2.gz FYCWVQHCJRIPCN-CQSZACIVSA-N 0 3 298.390 2.145 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cccc3ccn(C)c32)C1 ZINC000190021688 369588914 /nfs/dbraw/zinc/58/89/14/369588914.db2.gz VAHGEASAJQVINL-ZDUSSCGKSA-N 0 3 286.379 2.346 10 0 CEAEHN CCC(=O)CCN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000190242623 369607877 /nfs/dbraw/zinc/60/78/77/369607877.db2.gz FOYMGMWTLYYURT-AWEZNQCLSA-N 0 3 275.396 2.493 10 0 CEAEHN C[C@@H]1C[C@H](CN2C[C@@H]3CCCCN3C[C@@H]2C)CCO1 ZINC000352605492 369803418 /nfs/dbraw/zinc/80/34/18/369803418.db2.gz NXGBTBQNDRKYHY-JJXSEGSLSA-N 0 3 266.429 2.360 10 0 CEAEHN Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)c(Cl)c1 ZINC000192345890 369800051 /nfs/dbraw/zinc/80/00/51/369800051.db2.gz OSPPSNNCTCDKJM-LLVKDONJSA-N 0 3 266.772 2.425 10 0 CEAEHN C=Cn1cc(CN2CC[C@@H](CNc3ccccn3)C2)cn1 ZINC000193855014 369985872 /nfs/dbraw/zinc/98/58/72/369985872.db2.gz MKOMEWKFTFKALS-AWEZNQCLSA-N 0 3 283.379 2.313 10 0 CEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2ccon2)C1 ZINC000195296413 370123048 /nfs/dbraw/zinc/12/30/48/370123048.db2.gz SFOWTPYQNHNGFT-OAHLLOKOSA-N 0 3 286.379 2.024 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000637900409 370157771 /nfs/dbraw/zinc/15/77/71/370157771.db2.gz BCIMHJZUZNGYSR-UTLUCORTSA-N 0 3 266.307 2.222 10 0 CEAEHN CCN[C@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000638095888 370296069 /nfs/dbraw/zinc/29/60/69/370296069.db2.gz JOMVZKIJWYDAFK-GHMZBOCLSA-N 0 3 267.398 2.195 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NCc1ccno1 ZINC000232499201 370505815 /nfs/dbraw/zinc/50/58/15/370505815.db2.gz NHRYTOPYKPZNLS-AAEUAGOBSA-N 0 3 295.383 2.458 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000246794475 371012144 /nfs/dbraw/zinc/01/21/44/371012144.db2.gz BOOJVSRTQZWOIZ-RYUDHWBXSA-N 0 3 290.411 2.016 10 0 CEAEHN CC(=O)c1ccccc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246836647 371018404 /nfs/dbraw/zinc/01/84/04/371018404.db2.gz DYNXPXYMIJWEKV-MLGOLLRUSA-N 0 3 288.391 2.348 10 0 CEAEHN CCCCc1noc([C@H](C)N2CCN3CCC[C@H]3C2)n1 ZINC000246990789 371042071 /nfs/dbraw/zinc/04/20/71/371042071.db2.gz AXUAAGZIGXMDBK-STQMWFEESA-N 0 3 278.400 2.253 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(Cl)ccn2)C1 ZINC000247326038 371093889 /nfs/dbraw/zinc/09/38/89/371093889.db2.gz MTCBLNHBHWPFTH-GXFFZTMASA-N 0 3 281.787 2.194 10 0 CEAEHN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCN2CCC[C@H]2C1 ZINC000247566568 371126279 /nfs/dbraw/zinc/12/62/79/371126279.db2.gz SAUYDWCYJAWDOW-HOCLYGCPSA-N 0 3 297.406 2.108 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000054073974 541841186 /nfs/dbraw/zinc/84/11/86/541841186.db2.gz VGHCPHZFVDCWPW-RKDXNWHRSA-N 0 3 274.286 2.491 10 0 CEAEHN CC(=O)Nc1cccc(CN2CCN3CCCC[C@H]3C2)c1 ZINC000248328108 371174408 /nfs/dbraw/zinc/17/44/08/371174408.db2.gz CRMQNZSMVIAJLO-KRWDZBQOSA-N 0 3 287.407 2.315 10 0 CEAEHN CN(C)C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000248367580 371179831 /nfs/dbraw/zinc/17/98/31/371179831.db2.gz UEXVJIRXYAXGOS-QXSJWSMHSA-N 0 3 272.392 2.452 10 0 CEAEHN CCc1nnc(CN[C@@H]2CCC[C@H](C)[C@H]2C)n1C ZINC000248589939 371218730 /nfs/dbraw/zinc/21/87/30/371218730.db2.gz ZASVVUNYSBWSEG-QJPTWQEYSA-N 0 3 250.390 2.292 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CC(C)(C)CO1 ZINC000639493469 371359229 /nfs/dbraw/zinc/35/92/29/371359229.db2.gz ZEWIFBSJNLFAJL-RBSFLKMASA-N 0 3 266.429 2.360 10 0 CEAEHN C[C@H](c1cnccn1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249587030 371342377 /nfs/dbraw/zinc/34/23/77/371342377.db2.gz UEVHTAGCAXMWOH-KWCYVHTRSA-N 0 3 289.404 2.307 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H]1CCCCO1 ZINC000252661373 371461821 /nfs/dbraw/zinc/46/18/21/371461821.db2.gz IYLCHNUOHQDQHL-ILXRZTDVSA-N 0 3 252.402 2.114 10 0 CEAEHN CC(C)(C)OC(=O)CCN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252708782 371470972 /nfs/dbraw/zinc/47/09/72/371470972.db2.gz BBKQPFRTOIIORK-BBRMVZONSA-N 0 3 283.412 2.345 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)C[C@H](C)O)c1C ZINC000252756118 371475378 /nfs/dbraw/zinc/47/53/78/371475378.db2.gz JMYCKULEMFAKAB-VWYCJHECSA-N 0 3 253.390 2.330 10 0 CEAEHN CCCN(Cc1ccc(F)cc1)C(=O)C1(N)CCOCC1 ZINC000261758300 371722423 /nfs/dbraw/zinc/72/24/23/371722423.db2.gz FQHXMCMLKGUZKN-UHFFFAOYSA-N 0 3 294.370 2.072 10 0 CEAEHN CCc1ncnc(NC[C@@H]2NCCc3ccccc32)c1F ZINC000261763696 371724261 /nfs/dbraw/zinc/72/42/61/371724261.db2.gz VEURJELLMAQHJP-AWEZNQCLSA-N 0 3 286.354 2.477 10 0 CEAEHN C[C@@H]1C[C@H](O)CCN1C[C@@H]1CCC2(CCCC2)O1 ZINC000639938649 371688598 /nfs/dbraw/zinc/68/85/98/371688598.db2.gz HIQWKIPFERLQDG-MCIONIFRSA-N 0 3 253.386 2.323 10 0 CEAEHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CNCCOC1 ZINC000643634965 373227531 /nfs/dbraw/zinc/22/75/31/373227531.db2.gz PIUUSJNMULVWBH-DGCLKSJQSA-N 0 3 296.798 2.095 10 0 CEAEHN CCN1CCC[C@@H](N[C@@H](C)c2cncc(F)c2)C1 ZINC000133056070 220206467 /nfs/dbraw/zinc/20/64/67/220206467.db2.gz GXKYUUFHONGVJS-SMDDNHRTSA-N 0 3 251.349 2.356 10 0 CEAEHN CCN1CC[C@H](NC(=O)c2ccc(Br)cc2)C1 ZINC000389813125 375307456 /nfs/dbraw/zinc/30/74/56/375307456.db2.gz LHGTXOPBYLFCNE-LBPRGKRZSA-N 0 3 297.196 2.273 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H]2CCc3ccc(C)cc32)C1 ZINC000165261938 541998694 /nfs/dbraw/zinc/99/86/94/541998694.db2.gz OTOLCCLPWSIUSG-DOTOQJQBSA-N 0 3 274.408 2.293 10 0 CEAEHN CCN1CC[C@@H](NCc2csc(C3CC3)n2)C1 ZINC000414541328 375842610 /nfs/dbraw/zinc/84/26/10/375842610.db2.gz IRWJORROYQFBHU-LLVKDONJSA-N 0 3 251.399 2.204 10 0 CEAEHN Cc1nc(CCN2CCN3CCCC[C@H]3C2)cs1 ZINC000300412546 379167089 /nfs/dbraw/zinc/16/70/89/379167089.db2.gz YKLXBHYYLVXCGJ-AWEZNQCLSA-N 0 3 265.426 2.164 10 0 CEAEHN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180857854 542268003 /nfs/dbraw/zinc/26/80/03/542268003.db2.gz SHOIJZOGGNENGM-PWSUYJOCSA-N 0 3 288.399 2.099 10 0 CEAEHN COc1ccccc1[C@H](N)CSc1nccn1C ZINC000081841029 184597186 /nfs/dbraw/zinc/59/71/86/184597186.db2.gz QBTJJJAYOWYZRY-LLVKDONJSA-N 0 3 263.366 2.221 10 0 CEAEHN CNCc1sccc1S(=O)(=O)N(C)c1ccccc1 ZINC000088911585 184614219 /nfs/dbraw/zinc/61/42/19/184614219.db2.gz OOFYWSNPMHXNFX-UHFFFAOYSA-N 0 3 296.417 2.293 10 0 CEAEHN CC(C)NCCS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081962163 177908772 /nfs/dbraw/zinc/90/87/72/177908772.db2.gz GOKGEBZMAXGBPY-UHFFFAOYSA-N 0 3 279.764 2.251 10 0 CEAEHN CC[C@H](C)c1ccccc1O[C@@H]1CC[C@](N)(C(N)=O)C1 ZINC000093846546 184732228 /nfs/dbraw/zinc/73/22/28/184732228.db2.gz HFYUYXWTVNLVAI-HWWQOWPSSA-N 0 3 276.380 2.314 10 0 CEAEHN CC1CCN(CCNC(=O)c2c(F)ccc(N)c2F)CC1 ZINC000094189751 184760608 /nfs/dbraw/zinc/76/06/08/184760608.db2.gz JXEYZHNLKHJVPP-UHFFFAOYSA-N 0 3 297.349 2.009 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000094232430 184766823 /nfs/dbraw/zinc/76/68/23/184766823.db2.gz GTMXQZJTVCOZNP-CQSZACIVSA-N 0 3 264.325 2.260 10 0 CEAEHN CCC(N)(CC)C(=O)NCc1ccccc1Cl ZINC000094243480 184769357 /nfs/dbraw/zinc/76/93/57/184769357.db2.gz OOQWYVXHAHCVBW-UHFFFAOYSA-N 0 3 254.761 2.474 10 0 CEAEHN C[C@H](O)c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000094466282 184806155 /nfs/dbraw/zinc/80/61/55/184806155.db2.gz RSHRBLKDBPKRPZ-SWLSCSKDSA-N 0 3 289.379 2.052 10 0 CEAEHN Cc1nc([C@H]2CSCCO2)nc(C)c1CNC(C)C ZINC000094505484 184811932 /nfs/dbraw/zinc/81/19/32/184811932.db2.gz YEDMZYDXVQEQMC-CYBMUJFWSA-N 0 3 281.425 2.396 10 0 CEAEHN CCOc1ccc(NC(=O)[C@]2(N)CCC[C@@H](C)C2)cn1 ZINC000094988967 184910702 /nfs/dbraw/zinc/91/07/02/184910702.db2.gz QNFFBTFBKCCJFN-ABAIWWIYSA-N 0 3 277.368 2.326 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1Nc1ccnc2ccccc21 ZINC000281660546 195325984 /nfs/dbraw/zinc/32/59/84/195325984.db2.gz ONMCJLTUXBOIFU-CMPLNLGQSA-N 0 3 255.321 2.314 10 0 CEAEHN C[C@@H](CC(=O)N1CCO[C@H](CN(C)C)C1)C1CCCCC1 ZINC000116783514 533418856 /nfs/dbraw/zinc/41/88/56/533418856.db2.gz YQDWJLFQTLYFOI-GOEBONIOSA-N 0 3 296.455 2.382 10 0 CEAEHN Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1N ZINC000094260604 135084505 /nfs/dbraw/zinc/08/45/05/135084505.db2.gz OHDWRIYUDAVEHZ-UHFFFAOYSA-N 0 3 260.263 2.025 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000094232839 135084569 /nfs/dbraw/zinc/08/45/69/135084569.db2.gz IZLIMDVEMPQUMN-OAHLLOKOSA-N 0 3 276.384 2.138 10 0 CEAEHN CC1(C)CCC[C@@H]1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000246477995 394516910 /nfs/dbraw/zinc/51/69/10/394516910.db2.gz HJWPOUDKFRXCAN-STQMWFEESA-N 0 3 265.401 2.055 10 0 CEAEHN CC(C)[C@H]1CC[C@H](C(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000245509079 394500738 /nfs/dbraw/zinc/50/07/38/394500738.db2.gz JWTQDAADXDRACY-JYJNAYRXSA-N 0 3 296.455 2.238 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1 ZINC000044858247 394507973 /nfs/dbraw/zinc/50/79/73/394507973.db2.gz XVSJHNRNNMOLJN-INIZCTEOSA-N 0 3 298.390 2.320 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H](C)[C@@H]2C)C1 ZINC000246729014 394520786 /nfs/dbraw/zinc/52/07/86/394520786.db2.gz ALQGFDPVYOBAIL-CRWXNKLISA-N 0 3 267.417 2.155 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000246820324 394521856 /nfs/dbraw/zinc/52/18/56/394521856.db2.gz DMPWTAOBYVRNCQ-CHWSQXEVSA-N 0 3 299.484 2.252 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1occc1C ZINC000246900258 394522889 /nfs/dbraw/zinc/52/28/89/394522889.db2.gz HNBXGJWOZKREAQ-OLZOCXBDSA-N 0 3 262.353 2.287 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(OC)c2)C1 ZINC000048769127 394528621 /nfs/dbraw/zinc/52/86/21/394528621.db2.gz SPIOKWRBFGPRCC-CYBMUJFWSA-N 0 3 277.368 2.301 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCc2ccccc2)C1 ZINC000048768906 394528915 /nfs/dbraw/zinc/52/89/15/394528915.db2.gz UCUUJBKSHBHVRM-HNNXBMFYSA-N 0 3 275.396 2.013 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCCC[C@@H](C)C2)C1 ZINC000249419150 394554916 /nfs/dbraw/zinc/55/49/16/394554916.db2.gz HFQANORNPAHPJP-ZIAGYGMSSA-N 0 3 267.417 2.302 10 0 CEAEHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000092632817 394662078 /nfs/dbraw/zinc/66/20/78/394662078.db2.gz YVMKLIQVTLDCCF-ZDUSSCGKSA-N 0 3 276.380 2.257 10 0 CEAEHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000092632817 394662079 /nfs/dbraw/zinc/66/20/79/394662079.db2.gz YVMKLIQVTLDCCF-ZDUSSCGKSA-N 0 3 276.380 2.257 10 0 CEAEHN CCC[C@](C)(N)C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000262571648 394620423 /nfs/dbraw/zinc/62/04/23/394620423.db2.gz NAGRJPXVRAUNAS-INIZCTEOSA-N 0 3 277.412 2.229 10 0 CEAEHN Cc1cccc([C@@H](C)CNC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000121073300 394791926 /nfs/dbraw/zinc/79/19/26/394791926.db2.gz LKZIYKCYCSSFDA-GOEBONIOSA-N 0 3 289.423 2.444 10 0 CEAEHN CCO[C@H]1C[C@H](N(C)CCN2CCCC2=O)C12CCCC2 ZINC000121124838 394792685 /nfs/dbraw/zinc/79/26/85/394792685.db2.gz QDZPPNQCPAWEEU-GJZGRUSLSA-N 0 3 294.439 2.278 10 0 CEAEHN CC1CCC(CN2CCO[C@H](Cn3cccn3)C2)CC1 ZINC000122335273 394812917 /nfs/dbraw/zinc/81/29/17/394812917.db2.gz VEHKCSJBBYXFKQ-GPANFISMSA-N 0 3 277.412 2.410 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC000152292345 394992234 /nfs/dbraw/zinc/99/22/34/394992234.db2.gz DZFIZKCIIFBHQE-LSDHHAIUSA-N 0 3 284.444 2.428 10 0 CEAEHN O[C@@H]1CCC[C@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000383269968 395185129 /nfs/dbraw/zinc/18/51/29/395185129.db2.gz FSYQLOHLNFZRQP-DOTOQJQBSA-N 0 3 274.408 2.360 10 0 CEAEHN CN1CCO[C@H](CN[C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000180497135 395203525 /nfs/dbraw/zinc/20/35/25/395203525.db2.gz OWFBZBVWPKFIBR-TZMCWYRMSA-N 0 3 278.396 2.213 10 0 CEAEHN CCCCOC[C@H](O)CN1CCS[C@H](C(C)C)C1 ZINC000195180136 395461662 /nfs/dbraw/zinc/46/16/62/395461662.db2.gz HYGWHVMLUOUMSP-KGLIPLIRSA-N 0 3 275.458 2.237 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2ccnc(SC)c2)C1 ZINC000194458754 395437097 /nfs/dbraw/zinc/43/70/97/395437097.db2.gz XFZPWCKKSMGZMQ-LBPRGKRZSA-N 0 3 279.409 2.018 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)COc2c(C)cccc2C)C1 ZINC000194626248 395444549 /nfs/dbraw/zinc/44/45/49/395444549.db2.gz DJOITGJDAUEKIM-OAHLLOKOSA-N 0 3 290.407 2.283 10 0 CEAEHN C1CCCC(c2noc([C@H]3CNCCOC3)n2)CC1 ZINC000647121454 396413355 /nfs/dbraw/zinc/41/33/55/396413355.db2.gz HZEAFUFCZSUURZ-LBPRGKRZSA-N 0 3 265.357 2.211 10 0 CEAEHN NCc1cn(CCOc2ccc(Cl)cc2Cl)nn1 ZINC000050224739 400238284 /nfs/dbraw/zinc/23/82/84/400238284.db2.gz MZJRIQMKSPJBMY-UHFFFAOYSA-N 0 3 287.150 2.123 10 0 CEAEHN CNCc1cc(NC2CC2)ncc1Br ZINC000306371276 400332573 /nfs/dbraw/zinc/33/25/73/400332573.db2.gz CPXWAZFQCPMHQR-UHFFFAOYSA-N 0 3 256.147 2.138 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1conc1C ZINC000397881910 400559794 /nfs/dbraw/zinc/55/97/94/400559794.db2.gz BDTBQGSMDHYCBM-HUUCEWRRSA-N 0 3 263.385 2.432 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1ccccc1F)C(F)(F)F ZINC000062784532 522650994 /nfs/dbraw/zinc/65/09/94/522650994.db2.gz MIYOLCUYLFSFKS-ZJUUUORDSA-N 0 3 251.223 2.313 10 0 CEAEHN CCN(CCc1nccs1)C[C@H](O)COC(C)(C)C ZINC000159300271 289250631 /nfs/dbraw/zinc/25/06/31/289250631.db2.gz XYOMNXAKLXZFBW-LBPRGKRZSA-N 0 3 286.441 2.184 10 0 CEAEHN COc1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1O ZINC000188409342 153053353 /nfs/dbraw/zinc/05/33/53/153053353.db2.gz HQFWJAZQBSMOKL-AWEZNQCLSA-N 0 3 287.363 2.262 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCCC[C@H](C)C2)C1 ZINC000188480252 153058322 /nfs/dbraw/zinc/05/83/22/153058322.db2.gz HFQANORNPAHPJP-UONOGXRCSA-N 0 3 267.417 2.302 10 0 CEAEHN CC(=O)CC(C)(C)CC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000191903269 153197055 /nfs/dbraw/zinc/19/70/55/153197055.db2.gz XFONAXFESBYFQS-JSGCOSHPSA-N 0 3 282.428 2.227 10 0 CEAEHN COc1ncccc1CN1CCC[C@H]1Cn1ccnc1C ZINC000193371571 153232306 /nfs/dbraw/zinc/23/23/06/153232306.db2.gz BTJYTAFHTKYNIP-HNNXBMFYSA-N 0 3 286.379 2.260 10 0 CEAEHN CSc1ccccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195310892 153282966 /nfs/dbraw/zinc/28/29/66/153282966.db2.gz CQWHYOIOYRRRJT-GFCCVEGCSA-N 0 3 276.405 2.329 10 0 CEAEHN Cc1cccc(CCC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195323643 153283729 /nfs/dbraw/zinc/28/37/29/153283729.db2.gz UTOYBPHUAFJITH-MRXNPFEDSA-N 0 3 272.392 2.234 10 0 CEAEHN O=C(c1cccc(-n2cccc2)c1)N1CCN2CCC[C@H]2C1 ZINC000195319257 153284473 /nfs/dbraw/zinc/28/44/73/153284473.db2.gz LTPHVVFEESDWMV-KRWDZBQOSA-N 0 3 295.386 2.398 10 0 CEAEHN CCc1csc([C@@H]2CCCN(CCCO)C2)n1 ZINC000195443107 153287067 /nfs/dbraw/zinc/28/70/67/153287067.db2.gz AXLSEBCUOUPXSD-LLVKDONJSA-N 0 3 254.399 2.267 10 0 CEAEHN CC(C)c1nnc2n1C[C@@H](NCc1ccco1)CC2 ZINC000195404776 153288182 /nfs/dbraw/zinc/28/81/82/153288182.db2.gz LMFXWHBNEFPEJV-NSHDSACASA-N 0 3 260.341 2.099 10 0 CEAEHN Cc1csc([C@@H]2CCCN(C[C@H](O)COC(C)C)C2)n1 ZINC000195402810 153288610 /nfs/dbraw/zinc/28/86/10/153288610.db2.gz NKANZOLVYWTESN-KGLIPLIRSA-N 0 3 298.452 2.417 10 0 CEAEHN CCOc1ccc(OCCN2CC[C@H](CCO)C2)cc1 ZINC000227568412 153346629 /nfs/dbraw/zinc/34/66/29/153346629.db2.gz NTXXTGXWPNVUHH-CQSZACIVSA-N 0 3 279.380 2.168 10 0 CEAEHN Cc1c2ccccc2oc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263208273 154034960 /nfs/dbraw/zinc/03/49/60/154034960.db2.gz JYOYVGWOLSQOHP-LBPRGKRZSA-N 0 3 298.346 2.367 10 0 CEAEHN Cc1cccc([C@H](C)c2nc([C@@H]3CNCCN3C)no2)c1 ZINC000263223652 154037688 /nfs/dbraw/zinc/03/76/88/154037688.db2.gz MKRWEMJEDGURKA-JSGCOSHPSA-N 0 3 286.379 2.106 10 0 CEAEHN CC[C@@H](C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)N(C)C ZINC000164321789 286731008 /nfs/dbraw/zinc/73/10/08/286731008.db2.gz UJDPVQPASGQBHM-UONOGXRCSA-N 0 3 292.427 2.041 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000171069540 162376677 /nfs/dbraw/zinc/37/66/77/162376677.db2.gz OSEHCLZVRWXXBX-SNVBAGLBSA-N 0 3 269.295 2.133 10 0 CEAEHN CCC[C@@H](CC)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171905152 165053577 /nfs/dbraw/zinc/05/35/77/165053577.db2.gz LLDIMHLLKADWRT-CHWSQXEVSA-N 0 3 253.390 2.055 10 0 CEAEHN CCn1cc(C2CCN([C@@H](C)COC)CC2)cn1 ZINC000173604904 165078929 /nfs/dbraw/zinc/07/89/29/165078929.db2.gz NQJVIMNZGDXPJR-LBPRGKRZSA-N 0 3 251.374 2.117 10 0 CEAEHN CC[C@@H](O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173757829 165081346 /nfs/dbraw/zinc/08/13/46/165081346.db2.gz HTPBKYGAEGXJAG-VXGBXAGGSA-N 0 3 254.399 2.402 10 0 CEAEHN CCC(CC)CS(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000173886244 165086076 /nfs/dbraw/zinc/08/60/76/165086076.db2.gz FOBBNUTYODHIOW-JSGCOSHPSA-N 0 3 290.473 2.071 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)COc1cccc(C)c1 ZINC000176974876 165180869 /nfs/dbraw/zinc/18/08/69/165180869.db2.gz HFMZGQJJSLVBFB-OAHLLOKOSA-N 0 3 290.407 2.317 10 0 CEAEHN CCCC1(CNC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000177607715 165203072 /nfs/dbraw/zinc/20/30/72/165203072.db2.gz YRZFDEXXHPIGRE-CYBMUJFWSA-N 0 3 265.401 2.056 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccncc1 ZINC000178331283 165233310 /nfs/dbraw/zinc/23/33/10/165233310.db2.gz QZOYVLUDVVPCLW-HNNXBMFYSA-N 0 3 256.353 2.251 10 0 CEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)CCCOC ZINC000178416930 165240728 /nfs/dbraw/zinc/24/07/28/165240728.db2.gz CUIDUPTVOTYFNX-RYUDHWBXSA-N 0 3 266.389 2.080 10 0 CEAEHN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCO1 ZINC000180428477 165310930 /nfs/dbraw/zinc/31/09/30/165310930.db2.gz VFHSZNLMXIVFRP-GBJTYRQASA-N 0 3 282.428 2.037 10 0 CEAEHN CCC[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180493570 165313406 /nfs/dbraw/zinc/31/34/06/165313406.db2.gz HSWHNWIHURVNFZ-DLBZAZTESA-N 0 3 292.423 2.457 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C)o1)CC2 ZINC000180611480 165317302 /nfs/dbraw/zinc/31/73/02/165317302.db2.gz FFPSXZNKAJJDOV-NEPJUHHUSA-N 0 3 274.368 2.408 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCCCOC(C)C ZINC000181922456 165360420 /nfs/dbraw/zinc/36/04/20/165360420.db2.gz JLIHQNKOVFMUFE-HNNXBMFYSA-N 0 3 299.459 2.317 10 0 CEAEHN CC(C)(C)OC(=O)N[C@H](CN)c1ccccc1F ZINC000019421621 170792549 /nfs/dbraw/zinc/79/25/49/170792549.db2.gz MNJFCFOLAVKZLU-LLVKDONJSA-N 0 3 254.305 2.350 10 0 CEAEHN COc1cccc([C@H](CN)N(C)CC2CC2)c1OC ZINC000020226681 171091197 /nfs/dbraw/zinc/09/11/97/171091197.db2.gz DQCZCVDHZJKPRD-ZDUSSCGKSA-N 0 3 264.369 2.045 10 0 CEAEHN C[C@@H]1C[C@H]1c1ccc([C@@H](CN)N2CCSCC2)o1 ZINC000020257186 171111515 /nfs/dbraw/zinc/11/15/15/171111515.db2.gz OBUUDSORQRPDEU-IJLUTSLNSA-N 0 3 266.410 2.452 10 0 CEAEHN CN(C)C[C@@H](NCc1cccn1C)c1ccccc1 ZINC000020360557 171158734 /nfs/dbraw/zinc/15/87/34/171158734.db2.gz BJUVRTQFGXYBTP-MRXNPFEDSA-N 0 3 257.381 2.418 10 0 CEAEHN CCCCCNCc1cc(Cl)ccc1OCC(N)=O ZINC000020873338 171277104 /nfs/dbraw/zinc/27/71/04/171277104.db2.gz JPEZPACSPRNXLQ-UHFFFAOYSA-N 0 3 284.787 2.484 10 0 CEAEHN Cc1cc(F)ccc1CN1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284737957 196121404 /nfs/dbraw/zinc/12/14/04/196121404.db2.gz KTPWPEQSYMHQNB-JKSUJKDBSA-N 0 3 278.371 2.039 10 0 CEAEHN [NH3+]Cc1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000021955829 171341625 /nfs/dbraw/zinc/34/16/25/171341625.db2.gz HKEDCYOTJKRWPP-UHFFFAOYSA-N 0 3 276.361 2.087 10 0 CEAEHN NCc1ccccc1NS(=O)(=O)Cc1ccccc1 ZINC000021955829 171341626 /nfs/dbraw/zinc/34/16/26/171341626.db2.gz HKEDCYOTJKRWPP-UHFFFAOYSA-N 0 3 276.361 2.087 10 0 CEAEHN CCN(CC)[C@@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000022156409 171362790 /nfs/dbraw/zinc/36/27/90/171362790.db2.gz LCPILZOBRBXUSC-VIFPVBQESA-N 0 3 253.321 2.077 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2ccc(Br)cc2)CCO1 ZINC000022171426 171368305 /nfs/dbraw/zinc/36/83/05/171368305.db2.gz WMUGGOYLIBHWQQ-GWCFXTLKSA-N 0 3 299.212 2.170 10 0 CEAEHN Cc1ccsc1[C@H](CN)N1C[C@@H](C)O[C@H](C)C1 ZINC000022175134 171369775 /nfs/dbraw/zinc/36/97/75/171369775.db2.gz MDPAFPAXNWVLIR-UTUOFQBUSA-N 0 3 254.399 2.166 10 0 CEAEHN NCc1ccccc1NC(=O)CN1CCc2ccccc21 ZINC000022210306 171373132 /nfs/dbraw/zinc/37/31/32/171373132.db2.gz FQIHWZBGNIIVLW-UHFFFAOYSA-N 0 3 281.359 2.147 10 0 CEAEHN [NH3+]Cc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000022219982 171377403 /nfs/dbraw/zinc/37/74/03/171377403.db2.gz JFVQPBXCTMMRMJ-UHFFFAOYSA-N 0 3 280.324 2.085 10 0 CEAEHN COc1ccc([C@H](N)[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022564511 171391623 /nfs/dbraw/zinc/39/16/23/171391623.db2.gz HWILGWVBEFOAFD-OQMKEHIESA-N 0 3 278.396 2.193 10 0 CEAEHN N[C@@H](Cn1cccnc1=O)c1ccc2ccccc2c1 ZINC000022564680 171391659 /nfs/dbraw/zinc/39/16/59/171391659.db2.gz FCSURFUDAYMSRC-HNNXBMFYSA-N 0 3 265.316 2.097 10 0 CEAEHN C[C@@H](N)c1ccc2ccccc2c1O[C@H](C)C(N)=O ZINC000035427259 172194829 /nfs/dbraw/zinc/19/48/29/172194829.db2.gz PQENBEDAGNGBHA-NXEZZACHSA-N 0 3 258.321 2.112 10 0 CEAEHN CCCN(C)c1nc2sccn2c1CNC1CC1 ZINC000035430166 172199244 /nfs/dbraw/zinc/19/92/44/172199244.db2.gz KUJXJMBWJXCAFG-UHFFFAOYSA-N 0 3 264.398 2.494 10 0 CEAEHN CN[C@@H](c1ccc(OC)cc1OC)[C@H]1CCCO1 ZINC000035489009 172224161 /nfs/dbraw/zinc/22/41/61/172224161.db2.gz NSHIZNZEGLYOGS-OCCSQVGLSA-N 0 3 251.326 2.143 10 0 CEAEHN CCNCc1nccn1Cc1ccc(F)c(F)c1 ZINC000035518080 172243231 /nfs/dbraw/zinc/24/32/31/172243231.db2.gz XJHDTQADNOBMDT-UHFFFAOYSA-N 0 3 251.280 2.319 10 0 CEAEHN CC(C)c1ccc2c(c1)[C@@H](N)[C@H](C)CS2(=O)=O ZINC000035755747 172396428 /nfs/dbraw/zinc/39/64/28/172396428.db2.gz UEOUHOVNFXMWJR-RNCFNFMXSA-N 0 3 253.367 2.233 10 0 CEAEHN CCOc1ccc([C@@H](CNC(=O)OC)N(C)C)cc1 ZINC000036090748 172436454 /nfs/dbraw/zinc/43/64/54/172436454.db2.gz PTMHKIPVLWBESB-CYBMUJFWSA-N 0 3 266.341 2.044 10 0 CEAEHN CCc1ccc([C@@H](N)CN2CCOC[C@@H]2CC)cc1 ZINC000036326093 172609829 /nfs/dbraw/zinc/60/98/29/172609829.db2.gz CNMMSHQQVPTPQH-HOTGVXAUSA-N 0 3 262.397 2.360 10 0 CEAEHN C=COCCCNCc1c(C)nc2sccn21 ZINC000037239140 173055945 /nfs/dbraw/zinc/05/59/45/173055945.db2.gz ZSWBQTKIHVPLQC-UHFFFAOYSA-N 0 3 251.355 2.344 10 0 CEAEHN Cc1nc2sccn2c1CN[C@@H](C)[C@H]1CCCO1 ZINC000037242345 173058944 /nfs/dbraw/zinc/05/89/44/173058944.db2.gz SMHVBCFZXHLEAV-CMPLNLGQSA-N 0 3 265.382 2.361 10 0 CEAEHN COC(=O)CCN[C@@H](C)c1ccc(C)cc1OC ZINC000037252214 173064208 /nfs/dbraw/zinc/06/42/08/173064208.db2.gz VOMFFJZUZGBROQ-NSHDSACASA-N 0 3 251.326 2.217 10 0 CEAEHN CCOc1cc2c(cc1CNCCC(=O)OC)O[C@H](C)C2 ZINC000037301302 173106999 /nfs/dbraw/zinc/10/69/99/173106999.db2.gz JNQMGUVFHHEQIQ-LLVKDONJSA-N 0 3 293.363 2.061 10 0 CEAEHN CCCN[C@](C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037513855 173244814 /nfs/dbraw/zinc/24/48/14/173244814.db2.gz ONBAEVPMGZLLAL-LBPRGKRZSA-N 0 3 274.286 2.406 10 0 CEAEHN CCCN[C@](CC)(C(N)=O)c1ccc(Cl)cc1 ZINC000037513787 173244852 /nfs/dbraw/zinc/24/48/52/173244852.db2.gz AEBXOAVJEPIDJA-ZDUSSCGKSA-N 0 3 254.761 2.430 10 0 CEAEHN CCCN[C@@](CC)(C(N)=O)c1cccc(Cl)c1 ZINC000037513848 173245025 /nfs/dbraw/zinc/24/50/25/173245025.db2.gz AIGHKRZSUVTXSD-CYBMUJFWSA-N 0 3 254.761 2.430 10 0 CEAEHN Clc1cnn(-c2nc3sccn3c2CNC2CC2)c1 ZINC000038053883 174065440 /nfs/dbraw/zinc/06/54/40/174065440.db2.gz DQKHTTGVQBGQAH-UHFFFAOYSA-N 0 3 293.783 2.487 10 0 CEAEHN CC[C@H](C)N[C@](CC)(C(N)=O)c1ccc(F)cc1 ZINC000038065509 174075710 /nfs/dbraw/zinc/07/57/10/174075710.db2.gz DCBUZVZBPJKZBY-HZMBPMFUSA-N 0 3 252.333 2.304 10 0 CEAEHN CNCc1nc2cc(C(F)(F)F)ccc2n1CCOC ZINC000040404823 174254260 /nfs/dbraw/zinc/25/42/60/174254260.db2.gz XYNVGAVLINIGBV-UHFFFAOYSA-N 0 3 287.285 2.421 10 0 CEAEHN CSCC[C@H](N)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000040468423 174276579 /nfs/dbraw/zinc/27/65/79/174276579.db2.gz CUPYCMWFXLGRHB-UWVGGRQHSA-N 0 3 272.439 2.348 10 0 CEAEHN COc1ccc(NC(=O)CNCC(C)(C)C)cc1 ZINC000040493770 174293222 /nfs/dbraw/zinc/29/32/22/174293222.db2.gz RBUDAWVDRUUYLO-UHFFFAOYSA-N 0 3 250.342 2.269 10 0 CEAEHN Cc1ccc(OC[C@H](C)N[C@H]2CCCCNC2=O)cc1 ZINC000040499925 174296472 /nfs/dbraw/zinc/29/64/72/174296472.db2.gz ZVKVCOMOMDXVJW-ZFWWWQNUSA-N 0 3 276.380 2.021 10 0 CEAEHN Cc1ccc(OC[C@H](C)N[C@@H]2CCCCNC2=O)cc1 ZINC000040499923 174296657 /nfs/dbraw/zinc/29/66/57/174296657.db2.gz ZVKVCOMOMDXVJW-DZGCQCFKSA-N 0 3 276.380 2.021 10 0 CEAEHN CCOC(=O)CCN[C@H](C)COc1ccc(C)cc1 ZINC000040499867 174296664 /nfs/dbraw/zinc/29/66/64/174296664.db2.gz MKNQCMWANJVHGG-CYBMUJFWSA-N 0 3 265.353 2.305 10 0 CEAEHN COC(=O)CCCN[C@H](C)c1sc(C)nc1C ZINC000040518612 174308185 /nfs/dbraw/zinc/30/81/85/174308185.db2.gz ZYKQPJPUURTVQD-MRVPVSSYSA-N 0 3 256.371 2.364 10 0 CEAEHN COc1ccc(-c2c[nH]c([C@H]3C[C@@H](OC)CN3)n2)cc1F ZINC000040637806 174361854 /nfs/dbraw/zinc/36/18/54/174361854.db2.gz KNSXOPRMGXUHFE-ZYHUDNBSSA-N 0 3 291.326 2.274 10 0 CEAEHN Cn1ccnc1CCNCc1ccccc1N1CCCC1 ZINC000040639157 174363935 /nfs/dbraw/zinc/36/39/35/174363935.db2.gz QZMBRLIGRYYQNZ-UHFFFAOYSA-N 0 3 284.407 2.353 10 0 CEAEHN CSc1ccc([C@H](C)NC(C)(C)C(N)=O)cc1 ZINC000040674311 174373033 /nfs/dbraw/zinc/37/30/33/174373033.db2.gz ATZYZDIQSXEYJC-VIFPVBQESA-N 0 3 252.383 2.323 10 0 CEAEHN CCOC1CCN([C@H](CN)c2cccc(OC)c2)CC1 ZINC000040689116 174375698 /nfs/dbraw/zinc/37/56/98/174375698.db2.gz IVCGNCDZQWCUJE-MRXNPFEDSA-N 0 3 278.396 2.196 10 0 CEAEHN CCOC1CCN(C[C@@H](N)c2ccccc2OC)CC1 ZINC000040689337 174376270 /nfs/dbraw/zinc/37/62/70/174376270.db2.gz FPGBJXSWHHHNDN-OAHLLOKOSA-N 0 3 278.396 2.196 10 0 CEAEHN COc1cc(OC)cc([C@H](CN)N2CC[C@@H](C)C2)c1 ZINC000040717279 174384510 /nfs/dbraw/zinc/38/45/10/174384510.db2.gz DYNVGBAVNBFILT-ABAIWWIYSA-N 0 3 264.369 2.045 10 0 CEAEHN CC(=O)c1cc(F)ccc1N1CC[C@H](N(C)C)C1 ZINC000062965976 414760439 /nfs/dbraw/zinc/76/04/39/414760439.db2.gz JCSFYDKMTSLSKW-LBPRGKRZSA-N 0 3 250.317 2.169 10 0 CEAEHN C1CC1N[C@H](c1nc2c(s1)CCC2)[C@@H]1CCOC1 ZINC000041201051 174510141 /nfs/dbraw/zinc/51/01/41/174510141.db2.gz NXVPVJMYGAKSDL-RNCFNFMXSA-N 0 3 264.394 2.461 10 0 CEAEHN CN(C(=O)c1cccc(Cl)c1)[C@@H](CN)C(F)(F)F ZINC000662976250 414814966 /nfs/dbraw/zinc/81/49/66/414814966.db2.gz MSGMONHOGOWSKS-VIFPVBQESA-N 0 3 280.677 2.302 10 0 CEAEHN CCOc1ccc(C(=O)N(C)[C@H](CN)C(F)(F)F)cc1 ZINC000662978183 414816736 /nfs/dbraw/zinc/81/67/36/414816736.db2.gz YXLVHZDFEOXAGZ-LLVKDONJSA-N 0 3 290.285 2.047 10 0 CEAEHN Cc1ncc(CN[C@H](CN(C)C)c2ccccc2)n1C ZINC000657298476 414844021 /nfs/dbraw/zinc/84/40/21/414844021.db2.gz VLYJAJRZNKZKNN-MRXNPFEDSA-N 0 3 272.396 2.121 10 0 CEAEHN COc1cc(F)cc(CN[C@@H]2CCC[C@@H](O)C2)c1 ZINC000312250816 414861824 /nfs/dbraw/zinc/86/18/24/414861824.db2.gz BFWRUKFNMRNSEG-CHWSQXEVSA-N 0 3 253.317 2.227 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCn1cc(Cl)cn1 ZINC000312221644 414862167 /nfs/dbraw/zinc/86/21/67/414862167.db2.gz BDNNEMMKXJHAPF-HUUCEWRRSA-N 0 3 296.846 2.485 10 0 CEAEHN Cc1nc(CN[C@H](CC(C)C)CN(C)C)[nH]c1C ZINC000657347122 414873923 /nfs/dbraw/zinc/87/39/23/414873923.db2.gz UJWBEJBPFAHAGK-CYBMUJFWSA-N 0 3 252.406 2.092 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCOCCF)c1C ZINC000663461851 414960818 /nfs/dbraw/zinc/96/08/18/414960818.db2.gz IBATUUVDACBSBT-JTQLQIEISA-N 0 3 257.353 2.157 10 0 CEAEHN CC(C)(C)c1ccc([C@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000043299989 175001093 /nfs/dbraw/zinc/00/10/93/175001093.db2.gz BEXQOPQVZFDAOO-OCCSQVGLSA-N 0 3 281.421 2.419 10 0 CEAEHN CCN[C@H](c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300916 175001736 /nfs/dbraw/zinc/00/17/36/175001736.db2.gz NCBPLSPDYIISCK-UONOGXRCSA-N 0 3 267.394 2.080 10 0 CEAEHN CCN[C@@H](c1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301077 175002171 /nfs/dbraw/zinc/00/21/71/175002171.db2.gz QHHPFBBJUASOCA-ZFWWWQNUSA-N 0 3 297.420 2.171 10 0 CEAEHN COc1ccc(Cl)c(-n2nnc([C@@H](C)N)c2C)c1 ZINC000043318450 175005134 /nfs/dbraw/zinc/00/51/34/175005134.db2.gz XRSRDFWPPCWXNA-SSDOTTSWSA-N 0 3 266.732 2.257 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)[C@H]2CCCCN2)c1 ZINC000043318536 175005467 /nfs/dbraw/zinc/00/54/67/175005467.db2.gz JVIZGELNLNYKRN-LLVKDONJSA-N 0 3 268.744 2.429 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)CNC2CC2)c1 ZINC000043318637 175005536 /nfs/dbraw/zinc/00/55/36/175005536.db2.gz CQDCQAGSSDPVAY-UHFFFAOYSA-N 0 3 254.717 2.039 10 0 CEAEHN CN(C)c1cccc(O[C@H](CN)c2cccnc2)c1 ZINC000043351442 175019683 /nfs/dbraw/zinc/01/96/83/175019683.db2.gz IGEQOLBNZDLBAT-OAHLLOKOSA-N 0 3 257.337 2.226 10 0 CEAEHN Cc1cc(CN(C)[C@@H](c2ccc(C)o2)[C@@H](C)N)no1 ZINC000043364432 175024472 /nfs/dbraw/zinc/02/44/72/175024472.db2.gz HLHZUWJQSJQLAD-BXUZGUMPSA-N 0 3 263.341 2.405 10 0 CEAEHN CCCCN(C)C[C@H](NC)c1ccc2c(c1)OCO2 ZINC000043816732 175112620 /nfs/dbraw/zinc/11/26/20/175112620.db2.gz ADCCEETUAOVZIY-ZDUSSCGKSA-N 0 3 264.369 2.408 10 0 CEAEHN CCN(C)C[C@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043820085 175113894 /nfs/dbraw/zinc/11/38/94/175113894.db2.gz OOBAMPZBSLLBKD-ZDUSSCGKSA-N 0 3 264.369 2.060 10 0 CEAEHN CCN[C@H](CN1CCOC[C@@H]1C)c1ccccc1OCC ZINC000043891539 175118062 /nfs/dbraw/zinc/11/80/62/175118062.db2.gz NMIISCUAAAHQSC-GOEBONIOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N1CCC(OC)CC1 ZINC000043890278 175118357 /nfs/dbraw/zinc/11/83/57/175118357.db2.gz CTCFTMJINUBHIK-DOTOQJQBSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@H]1N(C)Cc1ccccn1 ZINC000043894373 175119175 /nfs/dbraw/zinc/11/91/75/175119175.db2.gz VCHIHWQGJOYRPL-NVXWUHKLSA-N 0 3 283.375 2.235 10 0 CEAEHN CC[C@@H]1CSC(NC[C@H](C)N2CCCCC2)=N1 ZINC000045005853 175288090 /nfs/dbraw/zinc/28/80/90/175288090.db2.gz DSIZFWPIHCXGPR-NWDGAFQWSA-N 0 3 255.431 2.332 10 0 CEAEHN COCC[C@H](C)N[C@H](CC(=O)OC)c1cccs1 ZINC000045023376 175292243 /nfs/dbraw/zinc/29/22/43/175292243.db2.gz DIRFMWGKSQKCHL-WDEREUQCSA-N 0 3 271.382 2.367 10 0 CEAEHN C[C@H](CN1C(=S)N=NC1c1cccs1)N(C)C ZINC000045108453 175308728 /nfs/dbraw/zinc/30/87/28/175308728.db2.gz NKLTUSPQKCFMMX-MRVPVSSYSA-N 0 3 268.411 2.245 10 0 CEAEHN Nc1cccc2c1CN(CCCCn1ccnc1)C2 ZINC000045109245 175309638 /nfs/dbraw/zinc/30/96/38/175309638.db2.gz IYWIMKGUEWHPFN-UHFFFAOYSA-N 0 3 256.353 2.261 10 0 CEAEHN CC1(C)C[C@@H]1NCC(=O)N1CCc2sccc2C1 ZINC000045119467 175312037 /nfs/dbraw/zinc/31/20/37/175312037.db2.gz MUTPIUPUUIQSOP-LBPRGKRZSA-N 0 3 264.394 2.021 10 0 CEAEHN C[C@H](C(N)=S)N(C)Cc1ccc2ccccc2n1 ZINC000045147133 175317106 /nfs/dbraw/zinc/31/71/06/175317106.db2.gz JDLJQYMEQDWRTL-SNVBAGLBSA-N 0 3 259.378 2.341 10 0 CEAEHN CCN[C@@](CN1CCC[C@@H]1C)(C(=O)OC)c1ccccc1 ZINC000045221489 175330747 /nfs/dbraw/zinc/33/07/47/175330747.db2.gz JJPZUZMDPQYLNC-WMLDXEAASA-N 0 3 290.407 2.149 10 0 CEAEHN CCOC(=O)[C@](N)(CN1CCCC[C@@H]1C)c1ccccc1 ZINC000045226862 175333547 /nfs/dbraw/zinc/33/35/47/175333547.db2.gz JIDKGYVNUXPLBU-YOEHRIQHSA-N 0 3 290.407 2.278 10 0 CEAEHN CCCN[C@@](C)(CCN1CCCC[C@@H]1C)C(=O)OC ZINC000045227098 175333626 /nfs/dbraw/zinc/33/36/26/175333626.db2.gz PKRLUCMOUFLMCQ-ZFWWWQNUSA-N 0 3 270.417 2.182 10 0 CEAEHN COC(=O)[C@@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)NC(C)C ZINC000045272101 175342966 /nfs/dbraw/zinc/34/29/66/175342966.db2.gz SGKUFAVTHJAYDU-ZMSDIMECSA-N 0 3 296.455 2.428 10 0 CEAEHN CCN[C@](C)(CN(CC(C)C)C1CC1)C(=O)OCC ZINC000045277492 175347793 /nfs/dbraw/zinc/34/77/93/175347793.db2.gz UJXCXYIIUCRNIJ-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(C)CC(C)(C)C)C(=O)[O-] ZINC000045279362 175349350 /nfs/dbraw/zinc/34/93/50/175349350.db2.gz AZGGFGBQMBRIPC-CQSZACIVSA-N 0 3 258.406 2.197 10 0 CEAEHN CCN[C@@](C)(CN(C)CC1CCCCC1)C(=O)OC ZINC000045281555 175352976 /nfs/dbraw/zinc/35/29/76/175352976.db2.gz GMOAUCRAEPQNQM-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN COc1ccc([C@H](N)[C@H]2CCCCO2)cc1OC ZINC000050960623 175521379 /nfs/dbraw/zinc/52/13/79/175521379.db2.gz RYHTVIULQHJCJN-OCCSQVGLSA-N 0 3 251.326 2.273 10 0 CEAEHN CC(C)N1CCC(O)(c2cc(Cl)cnc2N)CC1 ZINC000070405241 175912625 /nfs/dbraw/zinc/91/26/25/175912625.db2.gz PZUSGHISJLKWJS-UHFFFAOYSA-N 0 3 269.776 2.009 10 0 CEAEHN CCOC(=O)COC[C@H](N)c1cc(CC)ccc1CC ZINC000070441025 175934582 /nfs/dbraw/zinc/93/45/82/175934582.db2.gz FEUZKUQGECUDDJ-HNNXBMFYSA-N 0 3 279.380 2.391 10 0 CEAEHN NCc1csc(N2CCc3sccc3C2)n1 ZINC000070681788 176001344 /nfs/dbraw/zinc/00/13/44/176001344.db2.gz ZDWBJAIGJMPRCT-UHFFFAOYSA-N 0 3 251.380 2.226 10 0 CEAEHN CCCN[C@H]1CCCN(c2ccsc2C(=O)OC)C1=O ZINC000071032490 176023399 /nfs/dbraw/zinc/02/33/99/176023399.db2.gz WRBVTHWUKDVJJU-JTQLQIEISA-N 0 3 296.392 2.030 10 0 CEAEHN COC(=O)c1sccc1N1CCC[C@H](NC(C)C)C1=O ZINC000071032500 176023421 /nfs/dbraw/zinc/02/34/21/176023421.db2.gz PPRFSYDRXSXVOK-JTQLQIEISA-N 0 3 296.392 2.028 10 0 CEAEHN Cc1cc(F)ccc1N1CC[C@H](NC(C)C)C1=O ZINC000071032801 176023834 /nfs/dbraw/zinc/02/38/34/176023834.db2.gz IIKIXORTNKYNNR-LBPRGKRZSA-N 0 3 250.317 2.237 10 0 CEAEHN CC(C)c1csc(N2CC[C@@H](NC3CC3)C2=O)n1 ZINC000071033785 176024144 /nfs/dbraw/zinc/02/41/44/176024144.db2.gz SUDJVFCUYVWCNB-SNVBAGLBSA-N 0 3 265.382 2.124 10 0 CEAEHN C[C@@H](Cc1ccsc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071035410 176025245 /nfs/dbraw/zinc/02/52/45/176025245.db2.gz XZCPCOYCSGJWLA-GXFFZTMASA-N 0 3 264.394 2.032 10 0 CEAEHN C[C@@H](Cc1ccsc1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071035437 176025632 /nfs/dbraw/zinc/02/56/32/176025632.db2.gz GGARVPJNALLYHV-SMDDNHRTSA-N 0 3 278.421 2.422 10 0 CEAEHN Cc1nc(C)c([C@H](C)N2CC[C@H](NC3CC3)C2=O)s1 ZINC000071036206 176025693 /nfs/dbraw/zinc/02/56/93/176025693.db2.gz AMPXISVETHWMSC-CABZTGNLSA-N 0 3 279.409 2.174 10 0 CEAEHN COc1ccc(N2CC[C@@H](NC3CC3)C2=O)cc1Cl ZINC000071038112 176026508 /nfs/dbraw/zinc/02/65/08/176026508.db2.gz NTIKDXNRBOZBGQ-GFCCVEGCSA-N 0 3 280.755 2.206 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1[C@H]1CCCc2sccc21 ZINC000071042755 176028959 /nfs/dbraw/zinc/02/89/59/176028959.db2.gz UMCPAFFPJLSWNM-STQMWFEESA-N 0 3 276.405 2.478 10 0 CEAEHN CC[C@H]1CCC[C@H](OC[C@](NC2CC2)(C(N)=O)C2CC2)C1 ZINC000071134041 176035916 /nfs/dbraw/zinc/03/59/16/176035916.db2.gz UZLDSQUEGUTOCY-YLQAJVPDSA-N 0 3 294.439 2.358 10 0 CEAEHN CC[C@H]1CCC[C@H](O[C@@H](CN)c2cnn(C)c2)C1 ZINC000071130591 176035931 /nfs/dbraw/zinc/03/59/31/176035931.db2.gz AWTVCQRTOQJJIB-UBHSHLNASA-N 0 3 251.374 2.405 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1O[C@@H]1CCN(C)C1=O ZINC000071182993 176058171 /nfs/dbraw/zinc/05/81/71/176058171.db2.gz DRFATIAQKVQTHL-IUODEOHRSA-N 0 3 276.380 2.275 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)c1nc2ccccc2cc1C=O ZINC000071189471 176064400 /nfs/dbraw/zinc/06/44/00/176064400.db2.gz AHOYIVIYPVICLR-ZDUSSCGKSA-N 0 3 283.375 2.435 10 0 CEAEHN COc1ccc([C@H]2CNC[C@@H](C3CC3)O2)c(OC)c1 ZINC000071308556 176116471 /nfs/dbraw/zinc/11/64/71/176116471.db2.gz NWHYVGUTITVLGR-LSDHHAIUSA-N 0 3 263.337 2.143 10 0 CEAEHN Cc1cccnc1CNC[C@@](C)(O)c1ccccc1 ZINC000071340133 176129732 /nfs/dbraw/zinc/12/97/32/176129732.db2.gz PHHGGXBYIBVOTD-MRXNPFEDSA-N 0 3 256.349 2.387 10 0 CEAEHN COCCCN(CCOC)Cc1cc(C)ccc1N ZINC000071383859 176146848 /nfs/dbraw/zinc/14/68/48/176146848.db2.gz NKYJWWLNJGULOD-UHFFFAOYSA-N 0 3 266.385 2.062 10 0 CEAEHN CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1CN ZINC000071403373 176154957 /nfs/dbraw/zinc/15/49/57/176154957.db2.gz SNDDMPUXBSGOTH-NWDGAFQWSA-N 0 3 264.369 2.136 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000071406044 176155841 /nfs/dbraw/zinc/15/58/41/176155841.db2.gz MZPXIBATWKSJKW-AWEZNQCLSA-N 0 3 290.407 2.494 10 0 CEAEHN CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1CNCC ZINC000071406048 176156009 /nfs/dbraw/zinc/15/60/09/176156009.db2.gz XMUIXYSZHGDHFT-CYBMUJFWSA-N 0 3 278.396 2.398 10 0 CEAEHN COCCNCc1cc(C)ccc1O[C@@H]1CCCC[C@@H]1O ZINC000071407505 176156122 /nfs/dbraw/zinc/15/61/22/176156122.db2.gz FNDWGLZCYRVSGK-DOTOQJQBSA-N 0 3 293.407 2.413 10 0 CEAEHN Cc1ccc(O[C@@H]2CCCCNC2=O)c(CNC2CC2)c1 ZINC000071407036 176156177 /nfs/dbraw/zinc/15/61/77/176156177.db2.gz OXJMFGTXMYSEJH-MRXNPFEDSA-N 0 3 288.391 2.295 10 0 CEAEHN C[C@@H](N)CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000071576822 176204544 /nfs/dbraw/zinc/20/45/44/176204544.db2.gz AGYZGVMBATVCGV-SNVBAGLBSA-N 0 3 255.383 2.105 10 0 CEAEHN c1ccc(CN2CC[C@H](Nc3cncnc3)C2)cc1 ZINC000076695191 177059876 /nfs/dbraw/zinc/05/98/76/177059876.db2.gz YAMLEEFAXDCNAA-AWEZNQCLSA-N 0 3 254.337 2.163 10 0 CEAEHN CC(C)[NH2+]Cc1cc(=O)[n-]c(C2(c3ccccc3)CC2)n1 ZINC000079940234 177584779 /nfs/dbraw/zinc/58/47/79/177584779.db2.gz KNRJSNMDMMUZJR-UHFFFAOYSA-N 0 3 283.375 2.348 10 0 CEAEHN CC(C)C[NH2+]Cc1cc(=O)[n-]c(CCc2ccccc2)n1 ZINC000079941162 177586141 /nfs/dbraw/zinc/58/61/41/177586141.db2.gz VHMHKFGFHHDTSW-UHFFFAOYSA-N 0 3 285.391 2.301 10 0 CEAEHN COCCCn1ccc2ccc(CNCCOC)cc21 ZINC000080082043 177605043 /nfs/dbraw/zinc/60/50/43/177605043.db2.gz DTJQLBHEPLEICA-UHFFFAOYSA-N 0 3 276.380 2.414 10 0 CEAEHN C[C@@H](N)c1ccccc1NS(=O)(=O)CC(C)(C)C ZINC000080189137 177622224 /nfs/dbraw/zinc/62/22/24/177622224.db2.gz YTOHDBQYFKLLGJ-SNVBAGLBSA-N 0 3 270.398 2.494 10 0 CEAEHN Cc1cc(C)c(O)c(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000133563250 419430798 /nfs/dbraw/zinc/43/07/98/419430798.db2.gz JUIFWQLIAJNSLL-OAHLLOKOSA-N 0 3 262.353 2.480 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NCCn1cncn1 ZINC000268857894 270330744 /nfs/dbraw/zinc/33/07/44/270330744.db2.gz UYCZRDUMBSQIID-GFCCVEGCSA-N 0 3 260.341 2.028 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCOCc2ccccc2)C1 ZINC000193687596 270288184 /nfs/dbraw/zinc/28/81/84/270288184.db2.gz RKHLEUKZROWBHW-INIZCTEOSA-N 0 3 290.407 2.194 10 0 CEAEHN CCCN(CC1CC1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000194173314 270293203 /nfs/dbraw/zinc/29/32/03/270293203.db2.gz VLMHFNKEOJHMNZ-AWEZNQCLSA-N 0 3 267.417 2.302 10 0 CEAEHN C[C@H](NC[C@H](O)C1CCC1)c1nc2ccccc2n1C ZINC000316693673 270334676 /nfs/dbraw/zinc/33/46/76/270334676.db2.gz DIVYYUJHSHCRKZ-NHYWBVRUSA-N 0 3 273.380 2.385 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000435908549 271642278 /nfs/dbraw/zinc/64/22/78/271642278.db2.gz PFBVLEFHYYWBGK-IEODJVTJSA-N 0 3 288.435 2.478 10 0 CEAEHN C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000166472239 274378200 /nfs/dbraw/zinc/37/82/00/274378200.db2.gz RRMLXHFNZNWCOX-VXNVDRBHSA-N 0 3 288.269 2.205 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000263531964 276315383 /nfs/dbraw/zinc/31/53/83/276315383.db2.gz WYLFBCNYGDEDSF-SSHXOBKSSA-N 0 3 294.439 2.482 10 0 CEAEHN CN1C(=O)C[C@H](NC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000085963542 277014678 /nfs/dbraw/zinc/01/46/78/277014678.db2.gz PQGLTBSYLCONLG-NOLJZWGESA-N 0 3 288.391 2.235 10 0 CEAEHN COC(=O)[C@H](CC(C)C)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000351877218 277383339 /nfs/dbraw/zinc/38/33/39/277383339.db2.gz BCIKBAZGCWGILQ-OFQRWUPVSA-N 0 3 283.412 2.201 10 0 CEAEHN CCN(C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C)C(C)C ZINC000246549927 279003575 /nfs/dbraw/zinc/00/35/75/279003575.db2.gz VXTQMFLDVCVPHO-CHWSQXEVSA-N 0 3 255.406 2.155 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CCN(CC2CCCCC2)CC1 ZINC000186686906 279060272 /nfs/dbraw/zinc/06/02/72/279060272.db2.gz UFNSSHHBEFLEQO-UHFFFAOYSA-N 0 3 282.428 2.438 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CCN(CC2CCCCC2)CC1 ZINC000186686906 279060274 /nfs/dbraw/zinc/06/02/74/279060274.db2.gz UFNSSHHBEFLEQO-UHFFFAOYSA-N 0 3 282.428 2.438 10 0 CEAEHN CCC[C@@H](C(=O)N1C[C@@H]2CCCC[C@@H]2C1)N(C)C ZINC000133792461 280005460 /nfs/dbraw/zinc/00/54/60/280005460.db2.gz FTWCFFJXLUKFBR-MJBXVCDLSA-N 0 3 252.402 2.365 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1c(F)cccc1F ZINC000134602362 280026977 /nfs/dbraw/zinc/02/69/77/280026977.db2.gz DMRSGSIJHFUKCU-GHMZBOCLSA-N 0 3 282.334 2.231 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(F)c(Cl)c1 ZINC000282232102 280040351 /nfs/dbraw/zinc/04/03/51/280040351.db2.gz FPEBXCWQQUVXCG-PELKAZGASA-N 0 3 270.735 2.236 10 0 CEAEHN CC[C@@H]1CCC[C@H](CN2CCCNC(=O)[C@@H]2C)C1 ZINC000189093907 280143095 /nfs/dbraw/zinc/14/30/95/280143095.db2.gz APCDDKVIRLGGHW-MJBXVCDLSA-N 0 3 252.402 2.413 10 0 CEAEHN CCC[C@H](CC)NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000195394217 280203753 /nfs/dbraw/zinc/20/37/53/280203753.db2.gz IBMFJEKKDKCJQL-QWHCGFSZSA-N 0 3 255.406 2.349 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000245753457 280259714 /nfs/dbraw/zinc/25/97/14/280259714.db2.gz ZBNXWOABJXGYJY-KCQAQPDRSA-N 0 3 297.443 2.068 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1nc(C2CCCC2)no1 ZINC000246787067 280310156 /nfs/dbraw/zinc/31/01/56/280310156.db2.gz SAIZZCNJAKSULY-OCCSQVGLSA-N 0 3 290.411 2.396 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247470349 280330611 /nfs/dbraw/zinc/33/06/11/280330611.db2.gz GWTAHVXURCCXEM-ILXRZTDVSA-N 0 3 279.428 2.302 10 0 CEAEHN CO[C@H](C)CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000248445791 280347340 /nfs/dbraw/zinc/34/73/40/280347340.db2.gz WOCFGQAIKAAZJV-NEPJUHHUSA-N 0 3 272.389 2.010 10 0 CEAEHN C[C@@H]1COC[C@H](C)N1CCCOCC(F)(F)F ZINC000077369892 288378786 /nfs/dbraw/zinc/37/87/86/288378786.db2.gz VOGAEZUOKLGFIU-AOOOYVTPSA-N 0 3 255.280 2.065 10 0 CEAEHN C[C@@H]1C[C@@H](C(=O)N2CCO[C@@H](CN(C)C)C2)CC(C)(C)C1 ZINC000248549087 288449943 /nfs/dbraw/zinc/44/99/43/288449943.db2.gz KBCPZHQOQCXMLR-KFWWJZLASA-N 0 3 296.455 2.238 10 0 CEAEHN N[C@@H](CO)c1cc(Cl)ccc1Br ZINC000072199129 295295305 /nfs/dbraw/zinc/29/53/05/295295305.db2.gz PBDZJYYIEXHHKS-QMMMGPOBSA-N 0 3 250.523 2.095 10 0 CEAEHN N[C@@H](CO)c1cc(Br)cc(Br)c1 ZINC000072199730 295295466 /nfs/dbraw/zinc/29/54/66/295295466.db2.gz BSESVAZJMMNEGU-QMMMGPOBSA-N 0 3 294.974 2.204 10 0 CEAEHN COc1c(CN[C@H]2C[C@@](C)(OC)C2(C)C)c(C)nn1C ZINC000174135200 312687188 /nfs/dbraw/zinc/68/71/88/312687188.db2.gz XWEKBQATCZTAML-SWLSCSKDSA-N 0 3 281.400 2.030 10 0 CEAEHN CC(C)CC[C@@H](C)N[C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000069234464 519682684 /nfs/dbraw/zinc/68/26/84/519682684.db2.gz IMCNLYWGCISYQK-TZMCWYRMSA-N 0 3 280.412 2.471 10 0 CEAEHN CC(C)CN1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000055080832 519728646 /nfs/dbraw/zinc/72/86/46/519728646.db2.gz NLOYSWIVXNNSEF-IKGGRYGDSA-N 0 3 282.472 2.446 10 0 CEAEHN CC(C)N[C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062461003 519737901 /nfs/dbraw/zinc/73/79/01/519737901.db2.gz HKFWBQYDSLQXQB-HUUCEWRRSA-N 0 3 282.428 2.482 10 0 CEAEHN CC(C)N[C@H](CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062461003 519737903 /nfs/dbraw/zinc/73/79/03/519737903.db2.gz HKFWBQYDSLQXQB-HUUCEWRRSA-N 0 3 282.428 2.482 10 0 CEAEHN CC(C)[C@@H]1CC[C@H](O)[C@H](N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000054558154 519803496 /nfs/dbraw/zinc/80/34/96/519803496.db2.gz ZEBHRKSFCBCQGZ-RYPNDVFKSA-N 0 3 255.402 2.281 10 0 CEAEHN CC[NH2+]CCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000049641014 519925266 /nfs/dbraw/zinc/92/52/66/519925266.db2.gz DRPDTGWEYMZYBA-UHFFFAOYSA-N 0 3 297.207 2.345 10 0 CEAEHN CCNCCS(=O)(=O)Nc1c(CC)cccc1CC ZINC000049632573 519926229 /nfs/dbraw/zinc/92/62/29/519926229.db2.gz XVLMCODOOYKBGP-UHFFFAOYSA-N 0 3 284.425 2.163 10 0 CEAEHN CCCNCc1ccoc1CN(CC)CCOC ZINC000052542663 519960203 /nfs/dbraw/zinc/96/02/03/519960203.db2.gz ZXARIFHXBPTAHN-UHFFFAOYSA-N 0 3 254.374 2.248 10 0 CEAEHN CCNCc1cc(CN(CC)CCOC)c(C)o1 ZINC000052542794 519986492 /nfs/dbraw/zinc/98/64/92/519986492.db2.gz IRNSERZNKODKPX-UHFFFAOYSA-N 0 3 254.374 2.166 10 0 CEAEHN CCCN[C@@H](CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000062525341 519997185 /nfs/dbraw/zinc/99/71/85/519997185.db2.gz GJSKXCNFKJWCSZ-ZDUSSCGKSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@@H](CC[N@@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000062525341 519997190 /nfs/dbraw/zinc/99/71/90/519997190.db2.gz GJSKXCNFKJWCSZ-ZDUSSCGKSA-N 0 3 258.406 2.196 10 0 CEAEHN CCC[NH2+][C@H](CCN1CCC(CCC)CC1)C(=O)[O-] ZINC000062531111 520073970 /nfs/dbraw/zinc/07/39/70/520073970.db2.gz XDEASZAIBBQHNN-CQSZACIVSA-N 0 3 270.417 2.341 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCC(=O)NC1CC1 ZINC000062747086 520074155 /nfs/dbraw/zinc/07/41/55/520074155.db2.gz LIRBUQKRGLKHAM-JTQLQIEISA-N 0 3 280.343 2.154 10 0 CEAEHN CCN[C@](CN1CCC(C)(CC)CC1)(C(=O)OC)C1CC1 ZINC000069232508 520246418 /nfs/dbraw/zinc/24/64/18/520246418.db2.gz XOXZJWAHGYTZAM-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCO[C@H]1CCCN(c2ncc(CN)cc2Cl)C1 ZINC000051398221 520529151 /nfs/dbraw/zinc/52/91/51/520529151.db2.gz RJQMFTJOPJPWRU-NSHDSACASA-N 0 3 269.776 2.199 10 0 CEAEHN CCNC(=O)CCNCc1ccccc1C(F)(F)F ZINC000061626617 521735830 /nfs/dbraw/zinc/73/58/30/521735830.db2.gz KKGZMAROEHHWQN-UHFFFAOYSA-N 0 3 274.286 2.321 10 0 CEAEHN CC[C@H](C)[C@H](C)N[C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000049093470 521939088 /nfs/dbraw/zinc/93/90/88/521939088.db2.gz AZQVCQMVPGXIPV-GMXVVIOVSA-N 0 3 266.385 2.081 10 0 CEAEHN CNCc1sc(N2CCCO[C@H](C)C2)nc1C1CC1 ZINC000069182161 522167632 /nfs/dbraw/zinc/16/76/32/522167632.db2.gz OHHUYTJUJFEZSL-SNVBAGLBSA-N 0 3 281.425 2.355 10 0 CEAEHN COC[C@@H](C)N(C)[C@@H](CN)c1cc2ccccc2o1 ZINC000068811584 522219555 /nfs/dbraw/zinc/21/95/55/522219555.db2.gz OOKQXEAXAVBACQ-YPMHNXCESA-N 0 3 262.353 2.399 10 0 CEAEHN CC(C)(C)NCc1cc(N2CCn3ccnc3C2)ccn1 ZINC000062324243 518764088 /nfs/dbraw/zinc/76/40/88/518764088.db2.gz SXWWHDFPAYXOTM-UHFFFAOYSA-N 0 3 285.395 2.186 10 0 CEAEHN CC(C)(C)c1csc(NC(=O)CNC2CC2)n1 ZINC000049500078 519084855 /nfs/dbraw/zinc/08/48/55/519084855.db2.gz KLXKFJWSOCRFCB-UHFFFAOYSA-N 0 3 253.371 2.131 10 0 CEAEHN CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccccc1[O-] ZINC000049560312 519340754 /nfs/dbraw/zinc/34/07/54/519340754.db2.gz CWGTVLHNJDVRMF-GFCCVEGCSA-N 0 3 264.369 2.098 10 0 CEAEHN CC(C)CN(C(=O)[C@@H](CN)c1ccccc1)C1CC1 ZINC000061612003 519706794 /nfs/dbraw/zinc/70/67/94/519706794.db2.gz KCFFUFPWPIFPOA-HNNXBMFYSA-N 0 3 260.381 2.376 10 0 CEAEHN CC(C)NCCS(=O)(=O)NC1CCCCCCC1 ZINC000049640965 519722414 /nfs/dbraw/zinc/72/24/14/519722414.db2.gz PPCWYWWDFVVUOG-UHFFFAOYSA-N 0 3 276.446 2.017 10 0 CEAEHN CC(C)CN1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000055080479 519726476 /nfs/dbraw/zinc/72/64/76/519726476.db2.gz ZWMAPCCWUPLORU-QGZVFWFLSA-N 0 3 276.424 2.168 10 0 CEAEHN CC(C)NCc1cc2c(cc1OC1CCOCC1)OCO2 ZINC000069289154 519726975 /nfs/dbraw/zinc/72/69/75/519726975.db2.gz IYAUYZWGZZLOHD-UHFFFAOYSA-N 0 3 293.363 2.471 10 0 CEAEHN CC(C)CN1CCN(Cc2nc(N)ccc2Cl)CC1 ZINC000061639149 519727145 /nfs/dbraw/zinc/72/71/45/519727145.db2.gz VUMLCUHDDCNPGK-UHFFFAOYSA-N 0 3 282.819 2.091 10 0 CEAEHN CC(C)N[C@@H](CCSC1CCCCC1)C(N)=O ZINC000062601098 519734791 /nfs/dbraw/zinc/73/47/91/519734791.db2.gz AQGQQTQVEPPZRF-LBPRGKRZSA-N 0 3 258.431 2.294 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(F)c(N)c1 ZINC000049550957 519775511 /nfs/dbraw/zinc/77/55/11/519775511.db2.gz BVHDYKAQIGICMM-LBPRGKRZSA-N 0 3 281.375 2.114 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@@H](CN(CCO)C2CC2)C1 ZINC000054559349 519801824 /nfs/dbraw/zinc/80/18/24/519801824.db2.gz FLBZEYIXOXGGKN-CHWSQXEVSA-N 0 3 253.386 2.085 10 0 CEAEHN CC(C)[C@H]1CCC(=O)[C@@H](CN2CCC(CO)CC2)C1 ZINC000054558812 519824450 /nfs/dbraw/zinc/82/44/50/519824450.db2.gz NEZIPMQNXIAMKX-LSDHHAIUSA-N 0 3 267.413 2.332 10 0 CEAEHN CC(C)c1ccc([C@@H](N)Cn2ncccc2=O)cc1 ZINC000061402685 519839317 /nfs/dbraw/zinc/83/93/17/519839317.db2.gz POEYRTDHGJVINK-AWEZNQCLSA-N 0 3 257.337 2.067 10 0 CEAEHN CC(C)c1ccn(-c2nc3ccccn3c2CN)n1 ZINC000052884902 519848253 /nfs/dbraw/zinc/84/82/53/519848253.db2.gz RCTVRPOAQRYPAD-UHFFFAOYSA-N 0 3 255.325 2.102 10 0 CEAEHN CCC1CCC(NS(=O)(=O)c2cccc(CN)c2)CC1 ZINC000049120978 519856959 /nfs/dbraw/zinc/85/69/59/519856959.db2.gz DYOULCORAYZTLR-UHFFFAOYSA-N 0 3 296.436 2.392 10 0 CEAEHN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)OC[C@@H]2NCC ZINC000062804837 519888853 /nfs/dbraw/zinc/88/88/53/519888853.db2.gz VRPOQCDLOOTPIW-RISCZKNCSA-N 0 3 292.379 2.023 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000061293716 519906664 /nfs/dbraw/zinc/90/66/64/519906664.db2.gz DXVXJPLOHANJDK-UHFFFAOYSA-N 0 3 291.395 2.151 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000061298589 519906722 /nfs/dbraw/zinc/90/67/22/519906722.db2.gz JGPMSNOFMMJJIM-UHFFFAOYSA-N 0 3 274.324 2.063 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000061298715 519907507 /nfs/dbraw/zinc/90/75/07/519907507.db2.gz WMVQEMAQDQNDSL-UHFFFAOYSA-N 0 3 289.379 2.140 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OCC(=O)OC ZINC000062747370 519989487 /nfs/dbraw/zinc/98/94/87/519989487.db2.gz WKSMZZTVPXGQMK-JTQLQIEISA-N 0 3 269.316 2.438 10 0 CEAEHN CCCN[C@@H](c1ccc2c(c1)CCO2)[C@H]1COCCO1 ZINC000055300472 520017357 /nfs/dbraw/zinc/01/73/57/520017357.db2.gz BUQASXQQETVKCR-CVEARBPZSA-N 0 3 277.364 2.078 10 0 CEAEHN CCNCc1occc1CN1C[C@H](C)OC[C@@H]1CC ZINC000052570972 520030584 /nfs/dbraw/zinc/03/05/84/520030584.db2.gz RNHAPQBXOTYROK-JSGCOSHPSA-N 0 3 266.385 2.388 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1cc(C)ccc1OC ZINC000052885546 520099558 /nfs/dbraw/zinc/09/95/58/520099558.db2.gz OPJDPGYHZDPHSX-AWEZNQCLSA-N 0 3 291.395 2.022 10 0 CEAEHN CCN[C@@H](Cc1cnn(CC)c1)c1ncccc1C ZINC000050543239 520105436 /nfs/dbraw/zinc/10/54/36/520105436.db2.gz KSMSSBXSDSGEQS-AWEZNQCLSA-N 0 3 258.369 2.500 10 0 CEAEHN CCN[C@@H](c1ccc(F)c(F)c1)[C@H]1COCCO1 ZINC000055300102 520109575 /nfs/dbraw/zinc/10/95/75/520109575.db2.gz WTDYIUDWFNZSPK-OLZOCXBDSA-N 0 3 257.280 2.031 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1ccc2c(c1)CCC2)C(N)=O ZINC000068654506 520146933 /nfs/dbraw/zinc/14/69/33/520146933.db2.gz JZYJPYUZKXMOJR-SJCJKPOMSA-N 0 3 290.407 2.186 10 0 CEAEHN CCCNc1ccc(CN(CCCOC)CCOC)cn1 ZINC000050816299 520153668 /nfs/dbraw/zinc/15/36/68/520153668.db2.gz XOCCVPUOVLILNH-UHFFFAOYSA-N 0 3 295.427 2.388 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1OC[C@@H](O)COC ZINC000069053639 520176200 /nfs/dbraw/zinc/17/62/00/520176200.db2.gz LZLOQRWBQKQFPL-OLZOCXBDSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@H](C)c1c(F)cccc1Sc1n[nH]c(=O)n1C ZINC000061592950 520176437 /nfs/dbraw/zinc/17/64/37/520176437.db2.gz HRTJFCAGKHWWEX-MRVPVSSYSA-N 0 3 296.371 2.069 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCC(=O)NC(C)C ZINC000062747109 520178180 /nfs/dbraw/zinc/17/81/80/520178180.db2.gz MWMAYEIZOBNQCH-LLVKDONJSA-N 0 3 282.359 2.400 10 0 CEAEHN CCN[C@H](CN1C[C@@H](C)CC1=O)c1ccc(OC)cc1 ZINC000062816104 520199395 /nfs/dbraw/zinc/19/93/95/520199395.db2.gz MXIBLRQHAOMFBD-SWLSCSKDSA-N 0 3 276.380 2.214 10 0 CEAEHN CCN[C@H](Cc1csc(C)n1)c1ccnn1C ZINC000069467903 520203734 /nfs/dbraw/zinc/20/37/34/520203734.db2.gz XLJLZAOPYHRSGF-LLVKDONJSA-N 0 3 250.371 2.078 10 0 CEAEHN CCN[C@H]1COc2cc(OC[C@@H]3CCOC3)ccc21 ZINC000062804580 520221081 /nfs/dbraw/zinc/22/10/81/520221081.db2.gz GOMMEGAXTUNWSY-RISCZKNCSA-N 0 3 263.337 2.145 10 0 CEAEHN CCCOc1ccc([C@H](N)Cn2nc(C)ccc2=O)cc1 ZINC000061810414 520430875 /nfs/dbraw/zinc/43/08/75/520430875.db2.gz VJCRVTFTWOKXKY-OAHLLOKOSA-N 0 3 287.363 2.041 10 0 CEAEHN CC1(C)CN([C@H](CN)c2cc(F)c(F)c(F)c2)CCO1 ZINC000062710096 520493199 /nfs/dbraw/zinc/49/31/99/520493199.db2.gz TZSMYTOHVIXZCE-GFCCVEGCSA-N 0 3 288.313 2.215 10 0 CEAEHN CCO[C@H]1CCCN(Cc2cc(C)c(CNC)o2)C1 ZINC000052372360 520526679 /nfs/dbraw/zinc/52/66/79/520526679.db2.gz UXSLCVXYJMNLAS-ZDUSSCGKSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCCOC(=O)COc1ccc2c(c1)OC[C@@H]2NCC ZINC000062804553 520713444 /nfs/dbraw/zinc/71/34/44/520713444.db2.gz FDLACAUJLIBITF-AWEZNQCLSA-N 0 3 293.363 2.452 10 0 CEAEHN CCC[C@@H](N[C@H](C)C(=O)NC(=O)NCC)c1cccs1 ZINC000049544555 520791599 /nfs/dbraw/zinc/79/15/99/520791599.db2.gz IUMSGOMWVKGXSG-GHMZBOCLSA-N 0 3 297.424 2.413 10 0 CEAEHN CCN(CC)[C@@H]1CCN([C@@H]2CCCCCC2=O)C1 ZINC000062966820 520849548 /nfs/dbraw/zinc/84/95/48/520849548.db2.gz WVYIIZNBRKKTOQ-ZIAGYGMSSA-N 0 3 252.402 2.304 10 0 CEAEHN CCOC(=O)[C@@H](CN(C)C(C)(C)CC)NC(C)C ZINC000069446549 521061607 /nfs/dbraw/zinc/06/16/07/521061607.db2.gz IWXCHXNHFDMCMC-GFCCVEGCSA-N 0 3 258.406 2.037 10 0 CEAEHN CCOc1ccc(NC(=O)[C@H]2NCCC[C@H]2C)cc1 ZINC000051790930 521113351 /nfs/dbraw/zinc/11/33/51/521113351.db2.gz VKSKBWWRDUXFQO-RISCZKNCSA-N 0 3 262.353 2.412 10 0 CEAEHN CCCC[C@H](C)N[C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000050888008 521152263 /nfs/dbraw/zinc/15/22/63/521152263.db2.gz ROTKLAZVDSKPCF-WCQYABFASA-N 0 3 266.385 2.225 10 0 CEAEHN CC[N@H+](CC[C@H](NC1CC1)C(=O)[O-])C1CCCCC1 ZINC000062439131 521160387 /nfs/dbraw/zinc/16/03/87/521160387.db2.gz DMEYELGDXZOSRF-AWEZNQCLSA-N 0 3 268.401 2.236 10 0 CEAEHN CC[N@@H+](CC[C@H](NC1CC1)C(=O)[O-])C1CCCCC1 ZINC000062439131 521160397 /nfs/dbraw/zinc/16/03/97/521160397.db2.gz DMEYELGDXZOSRF-AWEZNQCLSA-N 0 3 268.401 2.236 10 0 CEAEHN CCC(C)(C)NC(=O)COc1ccc2c(c1)OC[C@@H]2NC ZINC000062804061 521320139 /nfs/dbraw/zinc/32/01/39/521320139.db2.gz HFFQDTDJFGXGJJ-ZDUSSCGKSA-N 0 3 292.379 2.023 10 0 CEAEHN CCOC(=O)c1c(NC(=O)[C@@H](C)NC)sc(C)c1CC ZINC000052395744 521411590 /nfs/dbraw/zinc/41/15/90/521411590.db2.gz DAGAMSLPJSFVFL-MRVPVSSYSA-N 0 3 298.408 2.342 10 0 CEAEHN CCOc1ccccc1C(=O)CN1CCC[C@@H]1CN(C)C ZINC000061645783 521449453 /nfs/dbraw/zinc/44/94/53/521449453.db2.gz ORVJYHRJVHFIAR-CQSZACIVSA-N 0 3 290.407 2.294 10 0 CEAEHN CCCN(C)c1nc(C)c(CNCCOC)s1 ZINC000054996386 521519905 /nfs/dbraw/zinc/51/99/05/521519905.db2.gz GVFOKCOUIGMANV-UHFFFAOYSA-N 0 3 257.403 2.034 10 0 CEAEHN CCN1CCC(N(C)c2nc3c(s2)[C@@H](O)CCC3)CC1 ZINC000054927998 521567458 /nfs/dbraw/zinc/56/74/58/521567458.db2.gz SKXOAIRVEKEYRY-ZDUSSCGKSA-N 0 3 295.452 2.433 10 0 CEAEHN CCOc1ccccc1[C@@]([O-])([C@@H](C)[NH3+])C(F)(F)F ZINC000062784685 521580795 /nfs/dbraw/zinc/58/07/95/521580795.db2.gz KOZTTWWKRXAVOS-KCJUWKMLSA-N 0 3 263.259 2.182 10 0 CEAEHN CCN1CCC(O)(Cc2cc(C)ccc2OC)CC1 ZINC000050705993 521582452 /nfs/dbraw/zinc/58/24/52/521582452.db2.gz QLICUSCRRRLVCN-UHFFFAOYSA-N 0 3 263.381 2.393 10 0 CEAEHN CCOC1CCN(c2nc(C)c([C@H](C)N)s2)CC1 ZINC000054896415 521657852 /nfs/dbraw/zinc/65/78/52/521657852.db2.gz SRYCNQTUSPOAGM-VIFPVBQESA-N 0 3 269.414 2.477 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000052792004 521820865 /nfs/dbraw/zinc/82/08/65/521820865.db2.gz HRIAFONVFXNPLV-XJKSGUPXSA-N 0 3 292.423 2.426 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccccc1OC(C)C ZINC000061300625 521944520 /nfs/dbraw/zinc/94/45/20/521944520.db2.gz IQNCLYCJHPTVHX-UHFFFAOYSA-N 0 3 250.342 2.410 10 0 CEAEHN CNCc1c(C)nc(-c2ccc(OC)c(OC)c2)nc1C ZINC000054854061 522101303 /nfs/dbraw/zinc/10/13/03/522101303.db2.gz RHRCAABMWFLYOB-UHFFFAOYSA-N 0 3 287.363 2.497 10 0 CEAEHN CNCc1cc(F)c(-n2nnc3ccccc32)c(F)c1 ZINC000062719596 522112230 /nfs/dbraw/zinc/11/22/30/522112230.db2.gz FPBZZTLPNRUWFP-UHFFFAOYSA-N 0 3 274.274 2.418 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@@H](N)c2ccccc2OC)CC1 ZINC000055065584 522120607 /nfs/dbraw/zinc/12/06/07/522120607.db2.gz FFVUTUUWVDULAZ-GDBMZVCRSA-N 0 3 291.439 2.111 10 0 CEAEHN CC[C@@H](C)N1CCN([C@@H]2CCCCCC[C@@H]2O)CC1 ZINC000055069806 522129872 /nfs/dbraw/zinc/12/98/72/522129872.db2.gz VZTUTRLKJHMYQV-OAGGEKHMSA-N 0 3 268.445 2.486 10 0 CEAEHN CC[C@@H](C)N1CCN([C@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055069444 522130640 /nfs/dbraw/zinc/13/06/40/522130640.db2.gz GVBZXMDHCPJUBA-JLSDUUJJSA-N 0 3 288.435 2.451 10 0 CEAEHN CNCc1sc(N2CCOC[C@H]2C)nc1C(C)(C)C ZINC000054997338 522166408 /nfs/dbraw/zinc/16/64/08/522166408.db2.gz VNIFJQRXCRFAEX-SNVBAGLBSA-N 0 3 283.441 2.385 10 0 CEAEHN CNCc1sc(N2CCO[C@@H]3CCC[C@@H]32)nc1C1CC1 ZINC000069180401 522167884 /nfs/dbraw/zinc/16/78/84/522167884.db2.gz RWYDBGUZLZKNSM-NWDGAFQWSA-N 0 3 293.436 2.498 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784283 522347250 /nfs/dbraw/zinc/34/72/50/522347250.db2.gz NLQKNQMFJFFHKH-VHSXEESVSA-N 0 3 269.213 2.452 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)N1CCCC1 ZINC000062746468 522332575 /nfs/dbraw/zinc/33/25/75/522332575.db2.gz POUBMJWCMNWKRL-NWDGAFQWSA-N 0 3 294.370 2.496 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1nccn1C ZINC000062746252 522332753 /nfs/dbraw/zinc/33/27/53/522332753.db2.gz KSJOPXAPTDOEQW-JTQLQIEISA-N 0 3 263.316 2.419 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784281 522341811 /nfs/dbraw/zinc/34/18/11/522341811.db2.gz NLQKNQMFJFFHKH-UWVGGRQHSA-N 0 3 269.213 2.452 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1ccccc1OC)C(F)(F)F ZINC000062784311 522342204 /nfs/dbraw/zinc/34/22/04/522342204.db2.gz CPNRFECNCIJTFX-QWRGUYRKSA-N 0 3 263.259 2.182 10 0 CEAEHN CN[C@@H](Cc1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000050543171 522362486 /nfs/dbraw/zinc/36/24/86/522362486.db2.gz FOPRKPOHTPELJY-LBPRGKRZSA-N 0 3 269.270 2.341 10 0 CEAEHN CN[C@@H](c1ccc(OC)cc1Cl)[C@@H]1COCCO1 ZINC000055300793 522369298 /nfs/dbraw/zinc/36/92/98/522369298.db2.gz WIHOLQGGVOPUFU-STQMWFEESA-N 0 3 271.744 2.025 10 0 CEAEHN CN[C@@H](c1ccc(OC)cc1OC)[C@@H]1CCCOC1 ZINC000062231371 522369456 /nfs/dbraw/zinc/36/94/56/522369456.db2.gz VERGEBKQXGSSFD-IAQYHMDHSA-N 0 3 265.353 2.391 10 0 CEAEHN CN[C@H]1COc2cc(OC[C@@H](O)c3ccccc3)ccc21 ZINC000062804278 522508162 /nfs/dbraw/zinc/50/81/62/522508162.db2.gz WKKFXWKDFWKXSP-JKSUJKDBSA-N 0 3 285.343 2.452 10 0 CEAEHN CN[C@H]1COc2cc(O[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000062804290 522508306 /nfs/dbraw/zinc/50/83/06/522508306.db2.gz QLDCCDQGOIJWLY-MELADBBJSA-N 0 3 263.337 2.022 10 0 CEAEHN COC[C@H](C)N(C)Cc1cc(CNC(C)(C)C)no1 ZINC000052511605 522593240 /nfs/dbraw/zinc/59/32/40/522593240.db2.gz PXABGGPDNKOISM-NSHDSACASA-N 0 3 269.389 2.029 10 0 CEAEHN CNc1ccc(Cl)c(CN(C)[C@H]2CCCN(C)C2)n1 ZINC000061639136 522623549 /nfs/dbraw/zinc/62/35/49/522623549.db2.gz GTKDWQMKHIMEER-NSHDSACASA-N 0 3 282.819 2.303 10 0 CEAEHN COC1CCN([C@@H](CN)c2cc(F)c(F)c(F)c2)CC1 ZINC000062709895 522708120 /nfs/dbraw/zinc/70/81/20/522708120.db2.gz CQDZFGDOBCAFGS-ZDUSSCGKSA-N 0 3 288.313 2.215 10 0 CEAEHN C[N@H+](CC[C@@H](NC1CC1)C(=O)[O-])CC1CCCCC1 ZINC000062526698 522928771 /nfs/dbraw/zinc/92/87/71/522928771.db2.gz ZKTXYIWVZGOLEX-CQSZACIVSA-N 0 3 268.401 2.094 10 0 CEAEHN C[N@@H+](CC[C@@H](NC1CC1)C(=O)[O-])CC1CCCCC1 ZINC000062526698 522928778 /nfs/dbraw/zinc/92/87/78/522928778.db2.gz ZKTXYIWVZGOLEX-CQSZACIVSA-N 0 3 268.401 2.094 10 0 CEAEHN CN(CC[C@@H]([NH2+]C1CC1)C(=O)[O-])CC1CCCCC1 ZINC000062526698 522928788 /nfs/dbraw/zinc/92/87/88/522928788.db2.gz ZKTXYIWVZGOLEX-CQSZACIVSA-N 0 3 268.401 2.094 10 0 CEAEHN COCc1cccc(NC(=O)[C@@H]2CCC[C@H](C)N2)c1 ZINC000049511990 523074460 /nfs/dbraw/zinc/07/44/60/523074460.db2.gz YRZMFUIYVXXCTR-FZMZJTMJSA-N 0 3 262.353 2.302 10 0 CEAEHN CC[C@H]1CCCN(Cc2csc(CNC)n2)C1 ZINC000052479578 523091095 /nfs/dbraw/zinc/09/10/95/523091095.db2.gz GKYZWMWYZGVPJE-NSHDSACASA-N 0 3 253.415 2.485 10 0 CEAEHN COC(=O)CCOc1ccc2c(c1)OC(C)(C)C[C@H]2N ZINC000069317350 523108620 /nfs/dbraw/zinc/10/86/20/523108620.db2.gz SQZWFVBQJVKTLY-GFCCVEGCSA-N 0 3 279.336 2.189 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1c1ccccc1CNCCOC ZINC000062736914 523354170 /nfs/dbraw/zinc/35/41/70/523354170.db2.gz NELZEVQCTAYROB-ZBFHGGJFSA-N 0 3 292.423 2.426 10 0 CEAEHN CC[C@@H]1CN(c2cc(Cl)ccc2CN)CCO1 ZINC000062786805 523469390 /nfs/dbraw/zinc/46/93/90/523469390.db2.gz NKDDTSIIJVNHRE-GFCCVEGCSA-N 0 3 254.761 2.414 10 0 CEAEHN CN(Cc1ccoc1)Cc1nc(NN)ccc1Cl ZINC000061638457 523476923 /nfs/dbraw/zinc/47/69/23/523476923.db2.gz YMHNYZDHLCQOQU-UHFFFAOYSA-N 0 3 266.732 2.246 10 0 CEAEHN CC[C@@H]1CSC(N[C@@H](CC(C)C)CN(C)C)=N1 ZINC000049559155 523519107 /nfs/dbraw/zinc/51/91/07/523519107.db2.gz PDTYFUISSKAAFU-NEPJUHHUSA-N 0 3 257.447 2.434 10 0 CEAEHN CCc1nc(CNCCOC)[nH]c1-c1ccccc1 ZINC000069236720 523661211 /nfs/dbraw/zinc/66/12/11/523661211.db2.gz BVOIJRSZGJBPID-UHFFFAOYSA-N 0 3 259.353 2.375 10 0 CEAEHN COCCN(CC(C)C)c1ncc([C@H](C)N)s1 ZINC000054896796 523681364 /nfs/dbraw/zinc/68/13/64/523681364.db2.gz CMUJKLMUSWKSFK-JTQLQIEISA-N 0 3 257.403 2.272 10 0 CEAEHN CCc1c(C)nc(CCN(CC)CC)nc1NC ZINC000050849263 523709983 /nfs/dbraw/zinc/70/99/83/523709983.db2.gz BNUZTOBVWOTBTK-UHFFFAOYSA-N 0 3 250.390 2.273 10 0 CEAEHN COCCN(CCOC)Cc1cc(C)c(CNC(C)C)o1 ZINC000052571542 523719915 /nfs/dbraw/zinc/71/99/15/523719915.db2.gz ZVNQFVJTVBEJMH-UHFFFAOYSA-N 0 3 298.427 2.181 10 0 CEAEHN COCCN(Cc1cc2ccccc2[nH]c1=NN)C1CC1 ZINC000051145382 523742878 /nfs/dbraw/zinc/74/28/78/523742878.db2.gz CBNZYVWRJAGODV-UHFFFAOYSA-N 0 3 286.379 2.131 10 0 CEAEHN CCn1nccc1[C@H](N)Cc1ccc(OC)c(OC)c1 ZINC000069471293 523747231 /nfs/dbraw/zinc/74/72/31/523747231.db2.gz LPTQRJHQERCDRU-GFCCVEGCSA-N 0 3 275.352 2.163 10 0 CEAEHN CN1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000061703203 523779812 /nfs/dbraw/zinc/77/98/12/523779812.db2.gz FFNMBMHWRUADQC-UHFFFAOYSA-N 0 3 275.270 2.498 10 0 CEAEHN COC(=O)[C@H](CCN1[C@@H](C)CCC[C@@H]1C)NC(C)C ZINC000062443604 523899825 /nfs/dbraw/zinc/89/98/25/523899825.db2.gz SXRYOVSBCIRWSG-IHRRRGAJSA-N 0 3 270.417 2.179 10 0 CEAEHN CC[C@H](C)N(CCOC)c1ncc(CNC)s1 ZINC000054908615 523941094 /nfs/dbraw/zinc/94/10/94/523941094.db2.gz CETFXMZMBZANDC-JTQLQIEISA-N 0 3 257.403 2.114 10 0 CEAEHN COCCNCc1cc(F)ccc1N(C)C(C)C ZINC000062734552 523950345 /nfs/dbraw/zinc/95/03/45/523950345.db2.gz JVFWBFAAQOJYRN-UHFFFAOYSA-N 0 3 254.349 2.406 10 0 CEAEHN CC[C@H](C)N1CCN(CC2(CO)CCCCC2)CC1 ZINC000055072907 523953587 /nfs/dbraw/zinc/95/35/87/523953587.db2.gz RUARIVILMBDXTF-HNNXBMFYSA-N 0 3 268.445 2.345 10 0 CEAEHN COCCNCc1sc(N2CCC[C@@H]2C)nc1C ZINC000054968900 523958600 /nfs/dbraw/zinc/95/86/00/523958600.db2.gz HXWODCQNHMAMMB-JTQLQIEISA-N 0 3 269.414 2.176 10 0 CEAEHN CC[C@H](C)N1CCN(c2cc(F)ccc2N)CC1 ZINC000055066672 523960246 /nfs/dbraw/zinc/96/02/46/523960246.db2.gz KTTWEHQYDXYGEL-NSHDSACASA-N 0 3 251.349 2.328 10 0 CEAEHN COCCO[C@H](CNC1CC1)c1ccccc1F ZINC000050495986 524034234 /nfs/dbraw/zinc/03/42/34/524034234.db2.gz LXCIXKRINYGWQU-CQSZACIVSA-N 0 3 253.317 2.282 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)N1Cc1cccnc1C(N)=S ZINC000061659672 524279532 /nfs/dbraw/zinc/27/95/32/524279532.db2.gz CHWIPGYNMNMFNC-GHMZBOCLSA-N 0 3 263.410 2.479 10 0 CEAEHN Cc1ccc(CCC(=O)N2[C@@H](C)CNC[C@@H]2C)cc1 ZINC000069132903 524291021 /nfs/dbraw/zinc/29/10/21/524291021.db2.gz PZXHUKKMPVBRJG-KBPBESRZSA-N 0 3 260.381 2.136 10 0 CEAEHN C[C@H](CN1CCCC1)N1C(=S)N=NC1c1ccncc1 ZINC000049184526 524321617 /nfs/dbraw/zinc/32/16/17/524321617.db2.gz OLQKJYDQRULWNX-LLVKDONJSA-N 0 3 289.408 2.286 10 0 CEAEHN Cc1cccc(CN(C)Cc2ccnc(C(=N)N)c2)c1 ZINC000068761303 524376838 /nfs/dbraw/zinc/37/68/38/524376838.db2.gz WJXBMPVAOITTGB-UHFFFAOYSA-N 0 3 268.364 2.306 10 0 CEAEHN C[C@@H](CN1CCCC1)Nc1cc2ccccc2c(=O)[nH]1 ZINC000049184078 524594574 /nfs/dbraw/zinc/59/45/74/524594574.db2.gz NUMNMOIHCHFYLQ-LBPRGKRZSA-N 0 3 271.364 2.424 10 0 CEAEHN C[C@@H]1CC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C[C@@H]1C ZINC000068584386 524610005 /nfs/dbraw/zinc/61/00/05/524610005.db2.gz HJGKAPSRVGIPBJ-OCVGTWLNSA-N 0 3 274.408 2.497 10 0 CEAEHN C[C@H]1CN(c2cc(Cl)ccc2CN)CCCO1 ZINC000062787060 524665675 /nfs/dbraw/zinc/66/56/75/524665675.db2.gz JTWUBMYHKMSMPA-JTQLQIEISA-N 0 3 254.761 2.414 10 0 CEAEHN C[C@H]1CN(c2cccc(OC(F)(F)F)c2)CCN1 ZINC000061703125 524671688 /nfs/dbraw/zinc/67/16/88/524671688.db2.gz KVTAFXMMVWDQBR-VIFPVBQESA-N 0 3 260.259 2.383 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)Cc1ccc(Cl)cc1 ZINC000069132841 524695899 /nfs/dbraw/zinc/69/58/99/524695899.db2.gz SDNGVDFHGLJAJP-QWRGUYRKSA-N 0 3 266.772 2.091 10 0 CEAEHN Cc1cc(CN2CCN(CC(C)C)CC2)ccc1N ZINC000055083670 524696841 /nfs/dbraw/zinc/69/68/41/524696841.db2.gz SINIKDUSBJKBJN-UHFFFAOYSA-N 0 3 261.413 2.351 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cccc(Cl)c1 ZINC000069133076 524700003 /nfs/dbraw/zinc/70/00/03/524700003.db2.gz ZQPFXGANXNECEE-UWVGGRQHSA-N 0 3 252.745 2.162 10 0 CEAEHN C[C@H](Cc1ccco1)N[C@@H]1CCCc2c1cnn2CCO ZINC000062771684 524746426 /nfs/dbraw/zinc/74/64/26/524746426.db2.gz ACBUKPVHVPNUHA-IUODEOHRSA-N 0 3 289.379 2.067 10 0 CEAEHN Cc1cccc(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)c1 ZINC000068656212 524776626 /nfs/dbraw/zinc/77/66/26/524776626.db2.gz YRWCCWBEURXZJR-LRDDRELGSA-N 0 3 276.380 2.148 10 0 CEAEHN Cc1cc(C[C@@H](CN)C(=O)N2CCCCC2)ccc1F ZINC000050544425 524829563 /nfs/dbraw/zinc/82/95/63/524829563.db2.gz LILFHOGYITVEEB-AWEZNQCLSA-N 0 3 278.371 2.264 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@H+](C)CC1CCCC1 ZINC000068646968 524861970 /nfs/dbraw/zinc/86/19/70/524861970.db2.gz XIZOQHBEXLMYRX-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@@H+](C)CC1CCCC1 ZINC000068646968 524861977 /nfs/dbraw/zinc/86/19/77/524861977.db2.gz XIZOQHBEXLMYRX-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)Cc2ccncc2)c1 ZINC000055234846 524887432 /nfs/dbraw/zinc/88/74/32/524887432.db2.gz JHCKZLTYROTOBO-AWEZNQCLSA-N 0 3 258.321 2.341 10 0 CEAEHN C[C@@H](Cc1cccc(Cl)c1)NCc1cn(C)nn1 ZINC000054859672 524903127 /nfs/dbraw/zinc/90/31/27/524903127.db2.gz DVEZGEWSNVNWEY-JTQLQIEISA-N 0 3 264.760 2.189 10 0 CEAEHN COc1ccc(OC)c([C@H](N)C[C@H]2CCCO2)c1 ZINC000055234641 524908514 /nfs/dbraw/zinc/90/85/14/524908514.db2.gz UBAQSLMYHBINAJ-DGCLKSJQSA-N 0 3 251.326 2.273 10 0 CEAEHN Cc1cc(F)ccc1C[C@H](CN)C(=O)NC(C)(C)C ZINC000050568823 524981831 /nfs/dbraw/zinc/98/18/31/524981831.db2.gz UEHJRCKPJZXPNN-GFCCVEGCSA-N 0 3 266.360 2.166 10 0 CEAEHN Cc1cc(N)cnc1N1CCN(C2CCCC2)CC1 ZINC000052813568 525040051 /nfs/dbraw/zinc/04/00/51/525040051.db2.gz GVCXZIJFFPNIFW-UHFFFAOYSA-N 0 3 260.385 2.037 10 0 CEAEHN C[C@@H]1CN([C@@H]2CNCc3ccccc32)CC(C)(C)O1 ZINC000069266796 525059973 /nfs/dbraw/zinc/05/99/73/525059973.db2.gz FRWSCWWQTGZOBX-IUODEOHRSA-N 0 3 260.381 2.330 10 0 CEAEHN Cc1ccccc1CN(C)c1ccnc(C(=N)N)c1 ZINC000061814166 525130364 /nfs/dbraw/zinc/13/03/64/525130364.db2.gz CUAVUYPDQWWPDG-UHFFFAOYSA-N 0 3 254.337 2.310 10 0 CEAEHN Cc1ccc(NS(=O)(=O)C[C@@H]2CCCCN2)cc1C ZINC000049630802 525292806 /nfs/dbraw/zinc/29/28/06/525292806.db2.gz FCDCLSTUAJVHHH-AWEZNQCLSA-N 0 3 282.409 2.187 10 0 CEAEHN Cc1ccccc1O[C@H](C)C[C@@](C)(NC(C)C)C(N)=O ZINC000068656369 525323709 /nfs/dbraw/zinc/32/37/09/525323709.db2.gz RSEQDBYOVFERSA-CZUORRHYSA-N 0 3 278.396 2.394 10 0 CEAEHN Cc1cc(O[C@H](C)C[C@](C)(N)C(N)=O)ccc1C(C)C ZINC000068655757 525381955 /nfs/dbraw/zinc/38/19/55/525381955.db2.gz JGSLJRQPASBPGK-WBMJQRKESA-N 0 3 278.396 2.479 10 0 CEAEHN Cc1cc([C@@H](CN)N2CCSCC2)ccc1F ZINC000050545939 525482188 /nfs/dbraw/zinc/48/21/88/525482188.db2.gz XZTVWOAFHPQELQ-CYBMUJFWSA-N 0 3 254.374 2.183 10 0 CEAEHN C[C@@H](N[C@@H](C)CN1CCCCC1)C(=O)N1CCCCCC1 ZINC000049501682 525598784 /nfs/dbraw/zinc/59/87/84/525598784.db2.gz MBPATAJYGMKRFJ-JKSUJKDBSA-N 0 3 295.471 2.242 10 0 CEAEHN C[C@@](N)(C(=O)N1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000050600208 525746454 /nfs/dbraw/zinc/74/64/54/525746454.db2.gz LNJSGOSDWPCBHS-CJNGLKHVSA-N 0 3 258.365 2.130 10 0 CEAEHN Cc1ccc([C@@H]2[C@H](N)CC(=O)N2C(C)(C)C)s1 ZINC000070294271 525866012 /nfs/dbraw/zinc/86/60/12/525866012.db2.gz PBIYLSVPEKPZPG-SKDRFNHKSA-N 0 3 252.383 2.456 10 0 CEAEHN Cc1ccc([C@H](C)NS(=O)(=O)C[C@@H]2CCCCN2)cc1 ZINC000049631549 525933204 /nfs/dbraw/zinc/93/32/04/525933204.db2.gz XPLOBVZXYKUSRG-ZFWWWQNUSA-N 0 3 296.436 2.118 10 0 CEAEHN Cc1cnc(CN[C@H]2CCc3ccccc3C2)cn1 ZINC000061320609 526049401 /nfs/dbraw/zinc/04/94/01/526049401.db2.gz XGIBOGNTLNTWLA-HNNXBMFYSA-N 0 3 253.349 2.432 10 0 CEAEHN C[C@H](c1nc(-c2cnccn2)no1)[C@@H](N)c1ccccc1 ZINC000157959201 526170902 /nfs/dbraw/zinc/17/09/02/526170902.db2.gz POVYHYCDCDHRDU-GXFFZTMASA-N 0 3 281.319 2.330 10 0 CEAEHN c1cc(CN2CCO[C@@H]3CCC[C@@H]32)c(CNC2CC2)o1 ZINC000052540224 526424229 /nfs/dbraw/zinc/42/42/29/526424229.db2.gz LZQAOHDPZAJZLI-LSDHHAIUSA-N 0 3 276.380 2.285 10 0 CEAEHN Cc1n[nH]c(C)c1CN[C@]1(CO)CCC[C@@H](C)C1 ZINC000053116406 526496185 /nfs/dbraw/zinc/49/61/85/526496185.db2.gz RFDSTPDZJJJFEM-QMTHXVAHSA-N 0 3 251.374 2.057 10 0 CEAEHN Cc1noc(C)c1COc1ccc2c(c1)OC[C@H]2N ZINC000062803530 526521689 /nfs/dbraw/zinc/52/16/89/526521689.db2.gz YYUULOYKUGJNCC-CYBMUJFWSA-N 0 3 260.293 2.263 10 0 CEAEHN c1nc(N2CCCSCC2)sc1CNC1CC1 ZINC000054909468 526600408 /nfs/dbraw/zinc/60/04/08/526600408.db2.gz CZSSTCQAZZYRQK-UHFFFAOYSA-N 0 3 269.439 2.338 10 0 CEAEHN CNCc1c(C)cc(C)nc1N1CCN2CCCC[C@@H]2C1 ZINC000094443170 536468785 /nfs/dbraw/zinc/46/87/85/536468785.db2.gz MMNDUQUCLOOMMS-OAHLLOKOSA-N 0 3 288.439 2.092 10 0 CEAEHN Cc1nc(Cl)cc(N(CCN(C)C)CC(C)C)n1 ZINC000052837134 526932987 /nfs/dbraw/zinc/93/29/87/526932987.db2.gz ICOGCZGSKIDPNF-UHFFFAOYSA-N 0 3 270.808 2.462 10 0 CEAEHN Cc1nc(Cc2ccccn2)nc(C)c1CNC1CC1 ZINC000054854376 526929361 /nfs/dbraw/zinc/92/93/61/526929361.db2.gz VSSBHUGAXBIJNZ-UHFFFAOYSA-N 0 3 268.364 2.331 10 0 CEAEHN Cc1nc(N2CCO[C@@H]3CCCC[C@@H]32)sc1CN ZINC000055001788 526972174 /nfs/dbraw/zinc/97/21/74/526972174.db2.gz QSOJLZNTWIKPIY-WDEREUQCSA-N 0 3 267.398 2.058 10 0 CEAEHN Clc1nc(Cl)nc(OCCN2CCCCC2)n1 ZINC000061517903 527004315 /nfs/dbraw/zinc/00/43/15/527004315.db2.gz OLIFNSVKJPQBIN-UHFFFAOYSA-N 0 3 277.155 2.043 10 0 CEAEHN NC(=S)c1ccc(NCCN2CCCCC2)c(F)c1 ZINC000049575548 527119792 /nfs/dbraw/zinc/11/97/92/527119792.db2.gz NKLIZLAFCABHPA-UHFFFAOYSA-N 0 3 281.400 2.358 10 0 CEAEHN [NH3+]CCc1ccccc1C(=O)Nc1ccc([O-])c(F)c1 ZINC000070330193 527197703 /nfs/dbraw/zinc/19/77/03/527197703.db2.gz OMMKUAKLNOKXSM-UHFFFAOYSA-N 0 3 274.295 2.285 10 0 CEAEHN Cc1nc[nH]c1CNCCc1cc(F)cc(F)c1 ZINC000054797590 527213410 /nfs/dbraw/zinc/21/34/10/527213410.db2.gz OENHPYFVUKFGNS-UHFFFAOYSA-N 0 3 251.280 2.329 10 0 CEAEHN O=C(Cc1ccc(O)cc1)Nc1ccc2c(c1)CNCC2 ZINC000069052649 527240804 /nfs/dbraw/zinc/24/08/04/527240804.db2.gz ISMOCERTWHPUOU-UHFFFAOYSA-N 0 3 282.343 2.219 10 0 CEAEHN NCc1c(F)cccc1OCCOCC(F)(F)F ZINC000049310452 527244072 /nfs/dbraw/zinc/24/40/72/527244072.db2.gz ORCGDLXRBJDAIK-UHFFFAOYSA-N 0 3 267.222 2.242 10 0 CEAEHN NCc1cc(Sc2nnc3n2CCCCC3)ccn1 ZINC000061812306 527250891 /nfs/dbraw/zinc/25/08/91/527250891.db2.gz PJJFCRBKUVLETQ-UHFFFAOYSA-N 0 3 275.381 2.009 10 0 CEAEHN NN=c1[nH]cc(C(=O)NC2CCCCC2)cc1Cl ZINC000051093716 527286458 /nfs/dbraw/zinc/28/64/58/527286458.db2.gz RMWHTNSAINPCQC-UHFFFAOYSA-N 0 3 268.748 2.083 10 0 CEAEHN NN=c1[nH]cc(C(=O)NCCc2ccsc2)cc1Cl ZINC000051120042 527287559 /nfs/dbraw/zinc/28/75/59/527287559.db2.gz BTLYEUNFRDAAPI-UHFFFAOYSA-N 0 3 296.783 2.055 10 0 CEAEHN O=S1(=O)CCC[C@H](N[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000069142726 527304474 /nfs/dbraw/zinc/30/44/74/527304474.db2.gz BRQGNYCKDPJIIX-GJZGRUSLSA-N 0 3 297.395 2.444 10 0 CEAEHN N[C@@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000054681938 527339298 /nfs/dbraw/zinc/33/92/98/527339298.db2.gz QNPDAQVEUMGMTF-HOTGVXAUSA-N 0 3 271.316 2.191 10 0 CEAEHN Nc1ccc(Cl)c(CN2CC[C@H](N3CCCCC3)C2)n1 ZINC000062969569 527485981 /nfs/dbraw/zinc/48/59/81/527485981.db2.gz OGTRLZCILLSNBY-LBPRGKRZSA-N 0 3 294.830 2.377 10 0 CEAEHN OCCn1cc(CN[C@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000068691069 527575952 /nfs/dbraw/zinc/57/59/52/527575952.db2.gz XPCSPBURWFMRCK-NEPJUHHUSA-N 0 3 291.317 2.086 10 0 CEAEHN Cn1nccc1[C@@H](N)C1(c2ccccc2)CCOCC1 ZINC000069468045 527621783 /nfs/dbraw/zinc/62/17/83/527621783.db2.gz WZGINBWMEOIIHT-OAHLLOKOSA-N 0 3 271.364 2.168 10 0 CEAEHN Cc1nn(C)c(N(C)C[C@H]2CCCO2)c1CNC(C)(C)C ZINC000062737035 527670373 /nfs/dbraw/zinc/67/03/73/527670373.db2.gz FKQPJULCBDSUNI-CYBMUJFWSA-N 0 3 294.443 2.232 10 0 CEAEHN CCNc1nc(C(=O)N[C@H](CC(C)C)CN(C)C)cs1 ZINC000158290255 528440743 /nfs/dbraw/zinc/44/07/43/528440743.db2.gz FSJHGNSZIGOOIL-LLVKDONJSA-N 0 3 298.456 2.281 10 0 CEAEHN CCOCCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000047676577 528680710 /nfs/dbraw/zinc/68/07/10/528680710.db2.gz PIOBLNDHRFTCEK-HNNXBMFYSA-N 0 3 293.411 2.015 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1ccc(OC)c(O)c1)N(C)C ZINC000154719053 528836348 /nfs/dbraw/zinc/83/63/48/528836348.db2.gz XTGBVPPBTSVVKT-ZDUSSCGKSA-N 0 3 294.395 2.090 10 0 CEAEHN CCCCc1noc(CN(C)C[C@@H]2CCCN2CC)n1 ZINC000175354581 529055021 /nfs/dbraw/zinc/05/50/21/529055021.db2.gz GIRAKUKJJGKQQF-ZDUSSCGKSA-N 0 3 280.416 2.328 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2coc3ccccc23)CC1 ZINC000123502327 529228581 /nfs/dbraw/zinc/22/85/81/529228581.db2.gz IADOAEVXLOCOCO-OAHLLOKOSA-N 0 3 288.391 2.321 10 0 CEAEHN CC1CCN(C(=O)N2C[C@@H](N)Cc3ccccc32)CC1 ZINC000091991324 535270502 /nfs/dbraw/zinc/27/05/02/535270502.db2.gz XATSMVLGDNRUNR-AWEZNQCLSA-N 0 3 273.380 2.228 10 0 CEAEHN CCOC1CCN(c2cncc(CNC(C)(C)C)n2)CC1 ZINC000091419700 535400639 /nfs/dbraw/zinc/40/06/39/535400639.db2.gz DJAJVSORNXKWPE-UHFFFAOYSA-N 0 3 292.427 2.370 10 0 CEAEHN COc1cccc(N2CCN([C@H]3CCC[C@@H](O)C3)CC2)c1 ZINC000093731528 537124997 /nfs/dbraw/zinc/12/49/97/537124997.db2.gz XQBZWRHWFPYHFA-GOEBONIOSA-N 0 3 290.407 2.121 10 0 CEAEHN CC1(C)CN[C@@]2(CCSC2)O[C@]12CCCOC2 ZINC000757143503 574510255 /nfs/dbraw/zinc/51/02/55/574510255.db2.gz LVJRMCRMNZSOST-STQMWFEESA-N 0 3 257.399 2.015 10 0 CEAEHN CC(C)(C)OC(=O)N(c1ccc(CN)nc1)C1CC1 ZINC000757133093 574826459 /nfs/dbraw/zinc/82/64/59/574826459.db2.gz GNIAPYIQCQVJKR-UHFFFAOYSA-N 0 3 263.341 2.444 10 0 CEAEHN COC(=O)c1ccc(CN2CCC[C@@H](C(C)=O)C2)cc1 ZINC000111712953 627831478 /nfs/dbraw/zinc/83/14/78/627831478.db2.gz WYYBOUYAKSSQGW-OAHLLOKOSA-N 0 3 275.348 2.274 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H]1CCCOC1 ZINC000094434259 628714435 /nfs/dbraw/zinc/71/44/35/628714435.db2.gz IQLRBEIFJVLVEX-ARFHVFGLSA-N 0 3 266.429 2.362 10 0 CEAEHN CC(C)(O)C(C)(C)NCc1cnc2ccccc2n1 ZINC000229050062 629483150 /nfs/dbraw/zinc/48/31/50/629483150.db2.gz CHYPRQQXCZKHEL-UHFFFAOYSA-N 0 3 259.353 2.269 10 0 CEAEHN CN[C@@H](CS(=O)(=O)c1cccc(Cl)c1)C1CC1 ZINC000081981912 177911882 /nfs/dbraw/zinc/91/18/82/177911882.db2.gz AAVYJAVDFKSAED-LBPRGKRZSA-N 0 3 273.785 2.112 10 0 CEAEHN N[C@@H](C[S@@](=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000082000865 177917508 /nfs/dbraw/zinc/91/75/08/177917508.db2.gz BICVHGCHKMMYBX-RBZFPXEDSA-N 0 3 289.356 2.223 10 0 CEAEHN CN(C)[C@@H](CO)c1ccc(F)c(Br)c1 ZINC000095532651 185005208 /nfs/dbraw/zinc/00/52/08/185005208.db2.gz CTULQLDFYNQDKI-JTQLQIEISA-N 0 3 262.122 2.183 10 0 CEAEHN Cc1noc([C@H](C)N2CCN(C[C@H]3CC=CCC3)CC2)n1 ZINC000121257129 365542002 /nfs/dbraw/zinc/54/20/02/365542002.db2.gz CGKWNEPXJBTQCL-ZFWWWQNUSA-N 0 3 290.411 2.413 10 0 CEAEHN Cn1cc(CN2CCCN(Cc3ccsc3)CC2)cn1 ZINC000121598807 365592282 /nfs/dbraw/zinc/59/22/82/365592282.db2.gz RVRMFTUXUKLYSI-UHFFFAOYSA-N 0 3 290.436 2.190 10 0 CEAEHN CNC(=O)C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000121660179 365600686 /nfs/dbraw/zinc/60/06/86/365600686.db2.gz LXLONWOXXCUDQE-UHFFFAOYSA-N 0 3 283.375 2.193 10 0 CEAEHN COc1cc(Nc2ccncc2N)cc(OC)c1OC ZINC000034964419 361801304 /nfs/dbraw/zinc/80/13/04/361801304.db2.gz ZHOVLQQHSNGEJT-UHFFFAOYSA-N 0 3 275.308 2.433 10 0 CEAEHN CCOc1ccccc1N1CCN(C[C@@](C)(O)CC)CC1 ZINC000123014797 365634171 /nfs/dbraw/zinc/63/41/71/365634171.db2.gz GUOAYOBIBJDTNJ-KRWDZBQOSA-N 0 3 292.423 2.368 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCS1 ZINC000125205400 187174482 /nfs/dbraw/zinc/17/44/82/187174482.db2.gz RRSYKMTYLGELAU-STQMWFEESA-N 0 3 285.457 2.008 10 0 CEAEHN Cc1n[nH]cc1CN[C@H](CN(C)C)c1ccccc1 ZINC000036901601 361869249 /nfs/dbraw/zinc/86/92/49/361869249.db2.gz YBEWQFOPGXVOHT-OAHLLOKOSA-N 0 3 258.369 2.111 10 0 CEAEHN CC[C@@H]1CN(CCc2scnc2C)CCN1CCOC ZINC000172535580 529394698 /nfs/dbraw/zinc/39/46/98/529394698.db2.gz JUCPXTIIHUYZTL-CQSZACIVSA-N 0 3 297.468 2.037 10 0 CEAEHN Cc1ccc(Br)c2c1NC[C@]21C[C@@H]1N ZINC000725247322 539192423 /nfs/dbraw/zinc/19/24/23/539192423.db2.gz MIJFNUWGNJCWTO-KWQFWETISA-N 0 3 253.143 2.152 10 0 CEAEHN C[C@@H](O)CN(C)[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000725264113 539212553 /nfs/dbraw/zinc/21/25/53/539212553.db2.gz DBFUTZLCJMNTJC-NEPJUHHUSA-N 0 3 251.374 2.057 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccnc(F)c1)c1ccccc1 ZINC000041040238 362014363 /nfs/dbraw/zinc/01/43/63/362014363.db2.gz JZLDDATUXHRNGC-CQSZACIVSA-N 0 3 287.338 2.253 10 0 CEAEHN C[C@@H]1C[C@@H](N)c2cc(Br)ccc2[S@@]1=O ZINC000040976822 362011228 /nfs/dbraw/zinc/01/12/28/362011228.db2.gz QCPDGRFNHXEZRE-PHUZMZJCSA-N 0 3 274.183 2.349 10 0 CEAEHN CC[C@H](O)CCN[C@H](C)c1c(C)nn(CC)c1C ZINC000132819572 529694957 /nfs/dbraw/zinc/69/49/57/529694957.db2.gz XUALYNBJEFGGTL-MFKMUULPSA-N 0 3 253.390 2.331 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000037029984 343425690 /nfs/dbraw/zinc/42/56/90/343425690.db2.gz XXBQEHOZBAWPHG-DGCLKSJQSA-N 0 3 292.379 2.008 10 0 CEAEHN CSC[C@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000131539372 136389176 /nfs/dbraw/zinc/38/91/76/136389176.db2.gz IPHQCJKCTGCSMR-JQWIXIFHSA-N 0 3 264.394 2.435 10 0 CEAEHN CCc1nc(CN[C@H]2CCCC[C@H]2CO)cs1 ZINC000152332245 529740877 /nfs/dbraw/zinc/74/08/77/529740877.db2.gz RTGCSRMUIPOEEG-JQWIXIFHSA-N 0 3 254.399 2.346 10 0 CEAEHN COCCCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000048216634 362248952 /nfs/dbraw/zinc/24/89/52/362248952.db2.gz BUGADDSXOUEOPL-HNNXBMFYSA-N 0 3 293.411 2.015 10 0 CEAEHN CNC(=O)[C@H](NCCSCc1ccccc1)C(C)C ZINC000192735133 529920917 /nfs/dbraw/zinc/92/09/17/529920917.db2.gz KHDWTNNSBVFMSL-CQSZACIVSA-N 0 3 280.437 2.280 10 0 CEAEHN CCCc1nnc(NC[C@H]2CCCN(C)C2)s1 ZINC000091482856 344165370 /nfs/dbraw/zinc/16/53/70/344165370.db2.gz NDZWOCODGBQGQZ-SNVBAGLBSA-N 0 3 254.403 2.244 10 0 CEAEHN Cc1cccc2c(NCC3(C(N)=O)CCOCC3)ccnc12 ZINC000091483226 344165392 /nfs/dbraw/zinc/16/53/92/344165392.db2.gz YOOCYIACQPJORD-UHFFFAOYSA-N 0 3 299.374 2.237 10 0 CEAEHN CN(C(=O)C1(N)CCOCC1)[C@H]1CCCc2ccccc21 ZINC000132159229 344361981 /nfs/dbraw/zinc/36/19/81/344361981.db2.gz HKLLULFRWKFCGW-HNNXBMFYSA-N 0 3 288.391 2.030 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cc(C)c(C)cc2C)C1 ZINC000134438863 344373938 /nfs/dbraw/zinc/37/39/38/344373938.db2.gz RHZPZUFGDZYOPH-KRWDZBQOSA-N 0 3 276.424 2.422 10 0 CEAEHN C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1cccs1 ZINC000139379368 344393415 /nfs/dbraw/zinc/39/34/15/344393415.db2.gz OFQBAGCVRHCJCB-MNOVXSKESA-N 0 3 267.398 2.203 10 0 CEAEHN CCOC(=O)C1CCCN(c2ccc(F)cc2)C1=O ZINC000167391444 344478529 /nfs/dbraw/zinc/47/85/29/344478529.db2.gz CFXLSLRBWRNSJM-GFCCVEGCSA-N 0 3 265.284 2.132 10 0 CEAEHN CCCC[C@@H](CC)CN1CCC(=O)[C@@H](C(=O)OC)C1 ZINC000169676075 344481892 /nfs/dbraw/zinc/48/18/92/344481892.db2.gz LTRLWTREJPLHDV-OLZOCXBDSA-N 0 3 269.385 2.267 10 0 CEAEHN Cc1ccc(CNC[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000234352085 344584367 /nfs/dbraw/zinc/58/43/67/344584367.db2.gz DETJTQTUCMVVJF-ZDUSSCGKSA-N 0 3 268.788 2.069 10 0 CEAEHN CN(C)C[C@@H](N)c1cccc(Br)c1F ZINC000234269195 344584471 /nfs/dbraw/zinc/58/44/71/344584471.db2.gz ZUGIEXOWKRXZTI-SECBINFHSA-N 0 3 261.138 2.150 10 0 CEAEHN NCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000238637035 344607256 /nfs/dbraw/zinc/60/72/56/344607256.db2.gz XKJOYMAPBGGZNV-UHFFFAOYSA-N 0 3 260.522 2.438 10 0 CEAEHN CN(C)C[C@@H](NC(=O)NCc1ccccn1)c1ccccc1 ZINC000053249324 362489173 /nfs/dbraw/zinc/48/91/73/362489173.db2.gz WAFBPDJEECWNMG-MRXNPFEDSA-N 0 3 298.390 2.184 10 0 CEAEHN O=[S@](c1cc(Cl)cc(Cl)c1)C1CNC1 ZINC000306826213 344717781 /nfs/dbraw/zinc/71/77/81/344717781.db2.gz ZEDQTKGPXJHKCR-CQSZACIVSA-N 0 3 250.150 2.073 10 0 CEAEHN C[C@@H](NC1CCN(CCO)CC1)c1cc(F)ccc1F ZINC000399247325 344857862 /nfs/dbraw/zinc/85/78/62/344857862.db2.gz KKQVMYZMQBXRBO-LLVKDONJSA-N 0 3 284.350 2.072 10 0 CEAEHN CCOc1ccc(N)cc1CN1CC[C@@H](COC)C1 ZINC000083898071 178761537 /nfs/dbraw/zinc/76/15/37/178761537.db2.gz VRDIIIGZGSUKHU-GFCCVEGCSA-N 0 3 264.369 2.136 10 0 CEAEHN CN1C[C@H](C(O)(c2ccccc2)c2ccccc2)C[C@H](O)C1 ZINC000584631779 344970021 /nfs/dbraw/zinc/97/00/21/344970021.db2.gz VYIWRCQCGWIWKO-MSOLQXFVSA-N 0 3 297.398 2.235 10 0 CEAEHN CCCCCCN1CCN2C(=O)N(CC)CC[C@@H]2C1 ZINC000584640270 344971465 /nfs/dbraw/zinc/97/14/65/344971465.db2.gz UWGZCEVBUCIAAG-CQSZACIVSA-N 0 3 267.417 2.399 10 0 CEAEHN CN[C@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000054071728 362509080 /nfs/dbraw/zinc/50/90/80/362509080.db2.gz XOPIPLBUUQHYMD-SSDOTTSWSA-N 0 3 262.231 2.132 10 0 CEAEHN CC(C)[NH2+][C@](C)(C[C@H](C)N1CCC(C)CC1)C(=O)[O-] ZINC000084298644 178849420 /nfs/dbraw/zinc/84/94/20/178849420.db2.gz WLQYXLGFFPSXAB-DZGCQCFKSA-N 0 3 270.417 2.338 10 0 CEAEHN Cc1csc([C@H]2CN(Cc3cn[nH]c3C)CCO2)n1 ZINC000092790377 232183298 /nfs/dbraw/zinc/18/32/98/232183298.db2.gz DAAGTQMVKFWROP-GFCCVEGCSA-N 0 3 278.381 2.057 10 0 CEAEHN Cc1ccc(CN(C)CCN(C)CCO)c(Cl)c1 ZINC000623090569 349935302 /nfs/dbraw/zinc/93/53/02/349935302.db2.gz UEEFIASJBVXDLM-UHFFFAOYSA-N 0 3 270.804 2.004 10 0 CEAEHN Cc1cccc(CN2CCO[C@@H](CN(C)C)C2)c1C ZINC000128236146 187359604 /nfs/dbraw/zinc/35/96/04/187359604.db2.gz LRIVIFFURCJYGX-INIZCTEOSA-N 0 3 262.397 2.066 10 0 CEAEHN CCn1c(C[C@H](NC)c2ccnn2C)nc2ccccc21 ZINC000097303650 185580605 /nfs/dbraw/zinc/58/06/05/185580605.db2.gz UXZCNTTUTRVVMA-ZDUSSCGKSA-N 0 3 283.379 2.293 10 0 CEAEHN CCn1c2ccccc2nc1C[C@@H](N)c1ccnn1C ZINC000097303641 185581216 /nfs/dbraw/zinc/58/12/16/185581216.db2.gz VFMGQDBDZIPEPF-LLVKDONJSA-N 0 3 269.352 2.032 10 0 CEAEHN CCn1nc(C[C@H](N)c2cc(C)nn2C)c2ccccc21 ZINC000097277266 185576802 /nfs/dbraw/zinc/57/68/02/185576802.db2.gz IFPDNKKEFNXHTN-ZDUSSCGKSA-N 0 3 283.379 2.341 10 0 CEAEHN CC(C)CCn1cccc1CN1CCO[C@H](CN(C)C)C1 ZINC000128257118 187360521 /nfs/dbraw/zinc/36/05/21/187360521.db2.gz SHTJUPLAXAFAMW-QGZVFWFLSA-N 0 3 293.455 2.297 10 0 CEAEHN Cn1ncc(Br)c1[C@H](N)CCc1ccccn1 ZINC000097461558 185610591 /nfs/dbraw/zinc/61/05/91/185610591.db2.gz MLFRTNARYICBKD-LLVKDONJSA-N 0 3 295.184 2.210 10 0 CEAEHN CCN(CC)C(C)(C)[C@@H](Cc1c(F)cccc1F)NN ZINC000097581030 185629465 /nfs/dbraw/zinc/62/94/65/185629465.db2.gz ZDKBCMZMYCDCJI-CQSZACIVSA-N 0 3 285.382 2.460 10 0 CEAEHN CN(C)C1([C@H](Cc2ccncc2Cl)NN)CCCCC1 ZINC000097589283 185633714 /nfs/dbraw/zinc/63/37/14/185633714.db2.gz DMOFCJYQZDFLIU-AWEZNQCLSA-N 0 3 296.846 2.374 10 0 CEAEHN C[C@@](CO)(CSc1nc2ccccc2[nH]1)NC1CC1 ZINC000085291731 179007314 /nfs/dbraw/zinc/00/73/14/179007314.db2.gz JGKSXRSDWRYAAT-CQSZACIVSA-N 0 3 277.393 2.158 10 0 CEAEHN Cc1ccccc1OC[C@@](O)(CN)c1ccccc1 ZINC000085307040 179012399 /nfs/dbraw/zinc/01/23/99/179012399.db2.gz XCIMXQGNLMMNMD-INIZCTEOSA-N 0 3 257.333 2.220 10 0 CEAEHN N[C@@H]1COC[C@@H]1c1nc2cc(Br)ccc2s1 ZINC000085352955 179029956 /nfs/dbraw/zinc/02/99/56/179029956.db2.gz CPYJUPLFOALELO-JGVFFNPUSA-N 0 3 299.193 2.500 10 0 CEAEHN COc1cc(CN[C@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccn1 ZINC000085676506 179112553 /nfs/dbraw/zinc/11/25/53/179112553.db2.gz TZJDNRPHOVTYHQ-SNPRPXQTSA-N 0 3 276.380 2.383 10 0 CEAEHN COCCN[C@H](CO)c1ccc(Br)c(C)c1 ZINC000085708071 179123006 /nfs/dbraw/zinc/12/30/06/179123006.db2.gz SVSVMDTUKOONJF-GFCCVEGCSA-N 0 3 288.185 2.027 10 0 CEAEHN NCc1ccccc1NC(=O)c1ccc2[nH]cnc2c1 ZINC000085810325 179177698 /nfs/dbraw/zinc/17/76/98/179177698.db2.gz LRORCQJEWATUSV-UHFFFAOYSA-N 0 3 266.304 2.274 10 0 CEAEHN COc1nc2sccn2c1CNC[C@H]1CCCC[C@H]1O ZINC000085973277 179207279 /nfs/dbraw/zinc/20/72/79/179207279.db2.gz CJQGHEJOOHPFDM-ZYHUDNBSSA-N 0 3 295.408 2.045 10 0 CEAEHN CCOc1ccc(C)cc1[C@@H](NC)[C@@H]1CCS(=O)(=O)C1 ZINC000086022538 179218726 /nfs/dbraw/zinc/21/87/26/179218726.db2.gz TWDZSXOJBPHXOX-DOMZBBRYSA-N 0 3 297.420 2.089 10 0 CEAEHN CCc1ccc(CC)c([C@H](N)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000086022885 179218841 /nfs/dbraw/zinc/21/88/41/179218841.db2.gz AKHPKCVPLBNPMQ-UKRRQHHQSA-N 0 3 281.421 2.246 10 0 CEAEHN CC[C@@H]1CC[C@H](NC(=O)[C@@H](N)CCSC)[C@@H]1C ZINC000086093975 179228892 /nfs/dbraw/zinc/22/88/92/179228892.db2.gz HGZGCNLDWDFNNR-WYUUTHIRSA-N 0 3 258.431 2.008 10 0 CEAEHN COc1cc(CN2CCN[C@H](c3ccccc3)C2)ccn1 ZINC000086148570 179239747 /nfs/dbraw/zinc/23/97/47/179239747.db2.gz LBDWCODMCLHEJK-INIZCTEOSA-N 0 3 283.375 2.237 10 0 CEAEHN COc1ccc(CN2CCN[C@H](c3ccccc3)C2)cn1 ZINC000086148622 179239872 /nfs/dbraw/zinc/23/98/72/179239872.db2.gz SDFLUIHMOFVWMQ-INIZCTEOSA-N 0 3 283.375 2.237 10 0 CEAEHN C[C@H]1CN[C@@](C)(c2ccccc2)CN1c1cnn(C)c1 ZINC000086218347 179249826 /nfs/dbraw/zinc/24/98/26/179249826.db2.gz UJQNATZDBLNZIW-XJKSGUPXSA-N 0 3 270.380 2.134 10 0 CEAEHN CCOC[C@H](C)N1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086259682 179259505 /nfs/dbraw/zinc/25/95/05/179259505.db2.gz MJDKQMAHXIRHNO-OFQRWUPVSA-N 0 3 262.397 2.446 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc2ccccc2n1 ZINC000086317434 179270227 /nfs/dbraw/zinc/27/02/27/179270227.db2.gz YWVVSAWSEIZGHV-CXAGYDPISA-N 0 3 281.359 2.388 10 0 CEAEHN CN[C@H]1CCCc2sc(N(CCOC)C3CC3)nc21 ZINC000086443596 179293911 /nfs/dbraw/zinc/29/39/11/179293911.db2.gz KUBBFOJEWDVDFZ-NSHDSACASA-N 0 3 281.425 2.355 10 0 CEAEHN CN(CC1CCOCC1)c1nc2c(s1)CCC[C@H]2N ZINC000086444215 179295072 /nfs/dbraw/zinc/29/50/72/179295072.db2.gz UNTMRZROTWICNB-LLVKDONJSA-N 0 3 281.425 2.342 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(OC)c2)[C@@H](CC)CN1 ZINC000086447284 179295347 /nfs/dbraw/zinc/29/53/47/179295347.db2.gz IJIQFDGLZUODKP-KGLIPLIRSA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)[C@@H](CC)CN1 ZINC000086447178 179295468 /nfs/dbraw/zinc/29/54/68/179295468.db2.gz RCQXXKDZAZUMGE-CABCVRRESA-N 0 3 290.407 2.227 10 0 CEAEHN CCN[C@H]1CCCc2sc(N3CCCOCC3)nc21 ZINC000086444008 179293354 /nfs/dbraw/zinc/29/33/54/179293354.db2.gz ONMFIXJUNRLVAF-NSHDSACASA-N 0 3 281.425 2.357 10 0 CEAEHN Cn1nc(CNC[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000086485859 179302087 /nfs/dbraw/zinc/30/20/87/179302087.db2.gz KDRWCCQDFBKCRX-MLGOLLRUSA-N 0 3 273.380 2.214 10 0 CEAEHN CC[C@@](C)(CO)NCc1cc2c(cc1SC)OCCO2 ZINC000086506909 179302802 /nfs/dbraw/zinc/30/28/02/179302802.db2.gz DQSZELKQTCTGNW-HNNXBMFYSA-N 0 3 297.420 2.430 10 0 CEAEHN COC(=O)CCNCc1cc(OC)c(OC)cc1SC ZINC000086506226 179303244 /nfs/dbraw/zinc/30/32/44/179303244.db2.gz HPKGGCQMVVSMOJ-UHFFFAOYSA-N 0 3 299.392 2.078 10 0 CEAEHN CN(C)C[C@@H](O)c1cscc1Br ZINC000086554670 179307088 /nfs/dbraw/zinc/30/70/88/179307088.db2.gz CCSZHHLPGKPISN-MRVPVSSYSA-N 0 3 250.161 2.106 10 0 CEAEHN C[C@H](N[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000086669410 179317006 /nfs/dbraw/zinc/31/70/06/179317006.db2.gz PPQMQVSLLNWMKZ-YUTCNCBUSA-N 0 3 267.394 2.303 10 0 CEAEHN C[C@@H](N[C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 ZINC000086670915 179317607 /nfs/dbraw/zinc/31/76/07/179317607.db2.gz MQYDORZNCBTQMT-SWHYSGLUSA-N 0 3 285.384 2.442 10 0 CEAEHN CCN(C)C(=O)CCN1CCC[C@H](c2nc(C)cs2)C1 ZINC000130269223 365939243 /nfs/dbraw/zinc/93/92/43/365939243.db2.gz SARAEPAMZNMBMW-ZDUSSCGKSA-N 0 3 295.452 2.499 10 0 CEAEHN CCCN1CCC[C@]([NH2+]C2CCCC2)(C(=O)[O-])CC1 ZINC000086850363 179357869 /nfs/dbraw/zinc/35/78/69/179357869.db2.gz BKHZTTGZAMQYJF-OAHLLOKOSA-N 0 3 268.401 2.238 10 0 CEAEHN CC(C)N1CCC[C@H]([N@H+](CC(=O)[O-])C(C)C)CC1 ZINC000086868758 179361271 /nfs/dbraw/zinc/36/12/71/179361271.db2.gz YPMJTACTIYPKCL-ZDUSSCGKSA-N 0 3 256.390 2.044 10 0 CEAEHN CC(C)N1CCC[C@H]([N@@H+](CC(=O)[O-])C(C)C)CC1 ZINC000086868758 179361273 /nfs/dbraw/zinc/36/12/73/179361273.db2.gz YPMJTACTIYPKCL-ZDUSSCGKSA-N 0 3 256.390 2.044 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](NC)c1cc(F)cc(F)c1 ZINC000086979094 179372755 /nfs/dbraw/zinc/37/27/55/179372755.db2.gz LTYLJRRIPHLCEL-ZDUSSCGKSA-N 0 3 291.363 2.440 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)CCC[C@H](C)CC1 ZINC000086891863 179366294 /nfs/dbraw/zinc/36/62/94/179366294.db2.gz CBRFWSRLIYWJQT-GOEBONIOSA-N 0 3 284.444 2.430 10 0 CEAEHN C[C@H]1CCC[C@](O)(CNC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000087052347 179388544 /nfs/dbraw/zinc/38/85/44/179388544.db2.gz XRSFLOSKWRPSPG-BLLLJJGKSA-N 0 3 298.427 2.137 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1ccc(Cl)cc1NC(C)=O ZINC000236936472 370659035 /nfs/dbraw/zinc/65/90/35/370659035.db2.gz WBNBSWGQDALWQA-JTQLQIEISA-N 0 3 283.759 2.364 10 0 CEAEHN C[C@@H]1CCC[C@@](O)(CN[C@@H]2CCCc3c2cnn3C)C1 ZINC000087049709 179389003 /nfs/dbraw/zinc/38/90/03/179389003.db2.gz XCGNELNTJAWEFC-XPKDYRNWSA-N 0 3 277.412 2.328 10 0 CEAEHN CC[C@H]1CNC[C@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087090223 179394430 /nfs/dbraw/zinc/39/44/30/179394430.db2.gz ASSNDCNXAOXTCG-SWLSCSKDSA-N 0 3 263.337 2.287 10 0 CEAEHN CC[C@H]1CNC[C@H](c2ccc(OC)c(OC)c2)O1 ZINC000087090247 179394091 /nfs/dbraw/zinc/39/40/91/179394091.db2.gz WXRFZCDNLFVAEM-SMDDNHRTSA-N 0 3 251.326 2.143 10 0 CEAEHN CNCc1cccc(Br)c1O[C@@H](C)[C@H](C)O ZINC000087125554 179396506 /nfs/dbraw/zinc/39/65/06/179396506.db2.gz VNGSFFKVMARKNU-IUCAKERBSA-N 0 3 288.185 2.317 10 0 CEAEHN CCOC(=O)C[C@](C)(NC)c1ccc(OC)c(OC)c1 ZINC000087547149 179443123 /nfs/dbraw/zinc/44/31/23/179443123.db2.gz AEZPMEMOXAJAQQ-HNNXBMFYSA-N 0 3 281.352 2.092 10 0 CEAEHN Cc1cc(CNC(=O)[C@@H](N)C(C)(C)C)sc1C ZINC000087578212 179450184 /nfs/dbraw/zinc/45/01/84/179450184.db2.gz POWBCVSBBQCJSJ-LLVKDONJSA-N 0 3 254.399 2.355 10 0 CEAEHN CCCOCc1noc([C@@H]2CNCc3ccccc32)n1 ZINC000087611726 179454313 /nfs/dbraw/zinc/45/43/13/179454313.db2.gz VMXOTTMMCXSKRS-CYBMUJFWSA-N 0 3 273.336 2.231 10 0 CEAEHN CC(C)(C)N1CCN[C@@H](c2ccc3nnccc3c2)C1 ZINC000616632804 348540846 /nfs/dbraw/zinc/54/08/46/348540846.db2.gz ZWHAWFYSSVDKFJ-OAHLLOKOSA-N 0 3 270.380 2.375 10 0 CEAEHN CC(C)(C)N1CCCOC[C@H]1c1cccc(C(N)=O)c1 ZINC000616645515 348545287 /nfs/dbraw/zinc/54/52/87/348545287.db2.gz OLBUYSQZBSZYFH-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN CC(C)(C)N1CCCO[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616648849 348547057 /nfs/dbraw/zinc/54/70/57/348547057.db2.gz FOOULUGDJVAAPC-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN CCN1CCCOC[C@H]1c1ccc2ccnnc2c1 ZINC000616650022 348547688 /nfs/dbraw/zinc/54/76/88/348547688.db2.gz VHOBACPFXAKNIP-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN c1ccc(CN2CCCO[C@H](c3cccnn3)C2)cc1 ZINC000616652099 348548606 /nfs/dbraw/zinc/54/86/06/348548606.db2.gz IPRLMINCQAIVCU-INIZCTEOSA-N 0 3 269.348 2.440 10 0 CEAEHN c1ccc(CN2CCCO[C@H](c3ccnnc3)C2)cc1 ZINC000616652649 348549483 /nfs/dbraw/zinc/54/94/83/348549483.db2.gz MWDAYYKFFRTNKG-INIZCTEOSA-N 0 3 269.348 2.440 10 0 CEAEHN CCN1CCCO[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616653326 348549538 /nfs/dbraw/zinc/54/95/38/348549538.db2.gz LUMIZUSQIAQZMQ-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN COc1ccc(CS(=O)(=O)c2cccs2)cc1CN ZINC000087833048 179497370 /nfs/dbraw/zinc/49/73/70/179497370.db2.gz BPZBYWMCOZJUHB-UHFFFAOYSA-N 0 3 297.401 2.189 10 0 CEAEHN CC(=O)Nc1ccc([C@H]2COCCN(C(C)C)C2)cc1 ZINC000616658009 348550422 /nfs/dbraw/zinc/55/04/22/348550422.db2.gz ALAVUAPRQXOVQO-OAHLLOKOSA-N 0 3 276.380 2.469 10 0 CEAEHN C[C@@]1(c2nc([C@@H]3COc4ccccc4O3)no2)CCCN1 ZINC000087855928 179501943 /nfs/dbraw/zinc/50/19/43/179501943.db2.gz QXHCCOXMLXJQGU-WFASDCNBSA-N 0 3 287.319 2.181 10 0 CEAEHN CN[C@H](c1cc(Cl)ccc1OC)[C@@H]1COCCO1 ZINC000087857775 179502483 /nfs/dbraw/zinc/50/24/83/179502483.db2.gz IASLAVPNQQUHSM-QWHCGFSZSA-N 0 3 271.744 2.025 10 0 CEAEHN CCN1CCOCC[C@H]1c1ccc2ccnnc2c1 ZINC000616597867 348529553 /nfs/dbraw/zinc/52/95/53/348529553.db2.gz LQFVJSXUHVKYSX-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CCN1CCOC[C@@H](c2cccc(NC(C)=O)c2)C1 ZINC000616596791 348529636 /nfs/dbraw/zinc/52/96/36/348529636.db2.gz BXGNYPOTAQVBOL-AWEZNQCLSA-N 0 3 262.353 2.081 10 0 CEAEHN CC(=O)Nc1ccccc1[C@H]1CN(C(C)(C)C)CCN1 ZINC000616600119 348530228 /nfs/dbraw/zinc/53/02/28/348530228.db2.gz BXONTSHUKVTQQW-OAHLLOKOSA-N 0 3 275.396 2.390 10 0 CEAEHN COCCNCCOc1cc(F)cc(Br)c1 ZINC000088139257 179555903 /nfs/dbraw/zinc/55/59/03/179555903.db2.gz DEYCXIWMKSBGKH-UHFFFAOYSA-N 0 3 292.148 2.203 10 0 CEAEHN CCOC(=O)c1ccc([C@@H]2CCN(C)CCO2)cc1 ZINC000616686262 348560774 /nfs/dbraw/zinc/56/07/74/348560774.db2.gz HHBIJCYWVRUYPH-AWEZNQCLSA-N 0 3 263.337 2.257 10 0 CEAEHN CC[C@@H](NC(=O)[C@@H]1CNCc2ccccc21)C(C)C ZINC000087618698 539651675 /nfs/dbraw/zinc/65/16/75/539651675.db2.gz YLMRDSCMZHTGRY-HUUCEWRRSA-N 0 3 260.381 2.424 10 0 CEAEHN CC(C)(C)NC(=O)N1CCNCC12CCCCC2 ZINC000088396150 179591331 /nfs/dbraw/zinc/59/13/31/179591331.db2.gz DCRVRONRVDMIEJ-UHFFFAOYSA-N 0 3 253.390 2.103 10 0 CEAEHN CN[C@@H]1COc2cc(O[C@H]3CCCCC[C@@H]3O)ccc21 ZINC000088761971 179668624 /nfs/dbraw/zinc/66/86/24/179668624.db2.gz BWXAKIDZFVGCLO-ILXRZTDVSA-N 0 3 277.364 2.412 10 0 CEAEHN CCCN(CC1CC1)S(=O)(=O)c1cccc(CN)c1C ZINC000088994821 179690257 /nfs/dbraw/zinc/69/02/57/179690257.db2.gz PTJRKEJQZLLMKL-UHFFFAOYSA-N 0 3 296.436 2.264 10 0 CEAEHN Cc1cc(COc2cc(F)ccc2[C@H](C)N)n(C)n1 ZINC000089181523 179745119 /nfs/dbraw/zinc/74/51/19/179745119.db2.gz CGRQUIVZVDUFCF-JTQLQIEISA-N 0 3 263.316 2.466 10 0 CEAEHN Cc1ccc(C)c([C@@H](NC[C@@H](O)CO)c2ccccc2)c1 ZINC000090282008 179948078 /nfs/dbraw/zinc/94/80/78/179948078.db2.gz SNSHYNAZDZCVMX-AEFFLSMTSA-N 0 3 285.387 2.336 10 0 CEAEHN CC(C)n1c2cc(F)ccc2nc1[C@]1(C)COC[C@@H]1N ZINC000090571860 180008038 /nfs/dbraw/zinc/00/80/38/180008038.db2.gz WDIYZMDNAZXBJQ-DZGCQCFKSA-N 0 3 277.343 2.372 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)C1CCCCC1 ZINC000090699767 180027712 /nfs/dbraw/zinc/02/77/12/180027712.db2.gz ZZGMQCZPXSRHSN-AWEZNQCLSA-N 0 3 284.469 2.462 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)c1ccccc1 ZINC000090699802 180027764 /nfs/dbraw/zinc/02/77/64/180027764.db2.gz QGPHDDXYEFFUGP-CQSZACIVSA-N 0 3 278.421 2.196 10 0 CEAEHN CC(C)C(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090700520 180027775 /nfs/dbraw/zinc/02/77/75/180027775.db2.gz RKSGULODCOWRRD-ZDUSSCGKSA-N 0 3 270.442 2.072 10 0 CEAEHN CCOc1ncnc(Nc2ccccc2CN)c1C ZINC000090790136 180041743 /nfs/dbraw/zinc/04/17/43/180041743.db2.gz SFDLEPNXYNWFDI-UHFFFAOYSA-N 0 3 258.325 2.386 10 0 CEAEHN Cc1cccc(CNC[C@H]2Cc3ccccc3O2)n1 ZINC000090874543 180051240 /nfs/dbraw/zinc/05/12/40/180051240.db2.gz TUOCRVKACVRSPK-OAHLLOKOSA-N 0 3 254.333 2.483 10 0 CEAEHN NCc1nn(C[C@H]2Cc3ccccc3O2)c2ccccc12 ZINC000090877722 180052426 /nfs/dbraw/zinc/05/24/26/180052426.db2.gz KGLQGZFKKKALAL-CYBMUJFWSA-N 0 3 279.343 2.499 10 0 CEAEHN CC(C)(N)c1cn(C[C@@H]2Cc3cc(Cl)ccc3O2)nn1 ZINC000090901113 180059137 /nfs/dbraw/zinc/05/91/37/180059137.db2.gz IPGMCXBQHNBHIP-NSHDSACASA-N 0 3 292.770 2.129 10 0 CEAEHN CCOc1ccccc1[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)NC ZINC000090906004 180060984 /nfs/dbraw/zinc/06/09/84/180060984.db2.gz MMDFQTSJVHFOON-IJEWVQPXSA-N 0 3 290.407 2.209 10 0 CEAEHN OCC1(CN2C[C@H]3CC[C@@H](C2)O3)CCCCCC1 ZINC000090907672 180061560 /nfs/dbraw/zinc/06/15/60/180061560.db2.gz FLPYXXXHSFSDIJ-OKILXGFUSA-N 0 3 253.386 2.183 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H](C)CN1CCCC1 ZINC000090960439 180075488 /nfs/dbraw/zinc/07/54/88/180075488.db2.gz YUGPXYQZNDZCSV-LLVKDONJSA-N 0 3 281.425 2.280 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H]1CCCC[C@@H]1O ZINC000090960595 180075628 /nfs/dbraw/zinc/07/56/28/180075628.db2.gz JNROMQMIYKCFHY-JQWIXIFHSA-N 0 3 268.382 2.100 10 0 CEAEHN CC(C)Cn1ncnc1Cn1cccc1CNC1CC1 ZINC000091001419 180083293 /nfs/dbraw/zinc/08/32/93/180083293.db2.gz QGLPBBTXYRWOCQ-UHFFFAOYSA-N 0 3 273.384 2.036 10 0 CEAEHN Cc1nn(C)c(Cn2ccnc2CNCC(C)C)c1Cl ZINC000091002777 180083829 /nfs/dbraw/zinc/08/38/29/180083829.db2.gz ZWLOOYFWDBCNPJ-UHFFFAOYSA-N 0 3 295.818 2.372 10 0 CEAEHN COCCNCc1cnn(CC(C)C)c1C1CC1 ZINC000091336511 180136488 /nfs/dbraw/zinc/13/64/88/180136488.db2.gz VQWZDQQLLLLOEM-UHFFFAOYSA-N 0 3 251.374 2.153 10 0 CEAEHN O=C(Nc1cccc(CO)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091359828 180140724 /nfs/dbraw/zinc/14/07/24/180140724.db2.gz ARZUNBIOJPVPED-KBMXLJTQSA-N 0 3 288.391 2.428 10 0 CEAEHN N[C@H]1CCCc2nc(-c3cncn3C3CC3)ncc21 ZINC000091274872 180118636 /nfs/dbraw/zinc/11/86/36/180118636.db2.gz QCFREVGYGYOZDR-NSHDSACASA-N 0 3 255.325 2.011 10 0 CEAEHN CC[C@H]1CCCCN1[C@@H](CN)c1cncn1C1CC1 ZINC000091276220 180119809 /nfs/dbraw/zinc/11/98/09/180119809.db2.gz RVONEDITMSSFNN-JSGCOSHPSA-N 0 3 262.401 2.482 10 0 CEAEHN OC1CC(N[C@H]2CCSc3c(F)cccc32)C1 ZINC000091449507 180158136 /nfs/dbraw/zinc/15/81/36/180158136.db2.gz LDUDXOXDCSCKHS-KWPJZBAWSA-N 0 3 253.342 2.476 10 0 CEAEHN CN(CC1CC(O)C1)[C@@H](CN)c1ccc(Cl)s1 ZINC000091464608 180163342 /nfs/dbraw/zinc/16/33/42/180163342.db2.gz DPGDRGJNNAGWGL-RTBKNWGFSA-N 0 3 274.817 2.104 10 0 CEAEHN Cc1ccccc1C(=O)CN1CCC[C@@H](N(C)C)C1 ZINC000091393755 180145630 /nfs/dbraw/zinc/14/56/30/180145630.db2.gz WRQAZQDBVTUNAH-CQSZACIVSA-N 0 3 260.381 2.204 10 0 CEAEHN CCN(CC(C)C)c1cncc(CNC(C)C)n1 ZINC000091419148 180150855 /nfs/dbraw/zinc/15/08/55/180150855.db2.gz PXOYORDSXWQPPO-UHFFFAOYSA-N 0 3 250.390 2.457 10 0 CEAEHN CNCc1cncc(-n2cnc3cc(C)c(C)cc32)n1 ZINC000091422337 180151283 /nfs/dbraw/zinc/15/12/83/180151283.db2.gz PZRCXJDAGYDHLK-UHFFFAOYSA-N 0 3 267.336 2.152 10 0 CEAEHN O[C@@H](CNC1CC(O)C1)c1cc(Cl)ccc1Cl ZINC000091424760 180151760 /nfs/dbraw/zinc/15/17/60/180151760.db2.gz HASJRTZOEVTNSI-KWPJZBAWSA-N 0 3 276.163 2.140 10 0 CEAEHN CCCCCNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000123417128 282673499 /nfs/dbraw/zinc/67/34/99/282673499.db2.gz FZIFLODMWOCFDX-CYBMUJFWSA-N 0 3 257.422 2.452 10 0 CEAEHN CC[C@@](C)(C(=O)Cc1cccnc1N)N1CCCCC1 ZINC000091608181 180204046 /nfs/dbraw/zinc/20/40/46/180204046.db2.gz PJFXVHGAYNFOMX-INIZCTEOSA-N 0 3 275.396 2.430 10 0 CEAEHN CC[C@](C)([C@H](N)c1cc(F)ccc1F)N1CCOCC1 ZINC000091611586 180206323 /nfs/dbraw/zinc/20/63/23/180206323.db2.gz AZLZWSMYNZIUMA-HUUCEWRRSA-N 0 3 284.350 2.466 10 0 CEAEHN CCCN[C@H](c1cncnc1)C(C)(C)N1CCCC1 ZINC000091536146 180182455 /nfs/dbraw/zinc/18/24/55/180182455.db2.gz DEERYJPBWOUVQA-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN CCn1ccnc1[C@H](N)C1(N(C)C)CCCCC1 ZINC000091647260 180215278 /nfs/dbraw/zinc/21/52/78/180215278.db2.gz HHVQZXVKKKABRX-LBPRGKRZSA-N 0 3 250.390 2.167 10 0 CEAEHN CN[C@@H](c1cncnc1)C1(N(C)C)CCCCCC1 ZINC000091654410 180217197 /nfs/dbraw/zinc/21/71/97/180217197.db2.gz GRTASPYQWWWTLP-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN Nc1cc(Cl)c(F)cc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091662885 180219729 /nfs/dbraw/zinc/21/97/29/180219729.db2.gz UAFOTYGXHKUJFD-NXEZZACHSA-N 0 3 299.777 2.336 10 0 CEAEHN CN1CCO[C@H](CN[C@@H](c2cccs2)C2CC2)C1 ZINC000091667343 180223317 /nfs/dbraw/zinc/22/33/17/180223317.db2.gz ITMHVEQDNICUJO-TZMCWYRMSA-N 0 3 266.410 2.119 10 0 CEAEHN CCN[C@@H](c1cnc2ccccc2c1)[C@@H]1CN(C)CCO1 ZINC000091718666 180233232 /nfs/dbraw/zinc/23/32/32/180233232.db2.gz IUVUAQWRCYMGGX-IRXDYDNUSA-N 0 3 285.391 2.216 10 0 CEAEHN CCCOc1ccc([C@@H](NCC)[C@@H]2CN(C)CCO2)cc1 ZINC000091718767 180233426 /nfs/dbraw/zinc/23/34/26/180233426.db2.gz YRLMTSNKKHCLEF-DLBZAZTESA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@@H](c1cccc2ccccc21)[C@H]1CN(C)CCO1 ZINC000091718116 180233439 /nfs/dbraw/zinc/23/34/39/180233439.db2.gz CBCOUXINSFPOIV-SJORKVTESA-N 0 3 270.376 2.431 10 0 CEAEHN CCN[C@@H](c1cccc(Cl)c1)[C@H]1CN(C)CCO1 ZINC000091718568 180233610 /nfs/dbraw/zinc/23/36/10/180233610.db2.gz AAOHXSYTFPPCBU-KGLIPLIRSA-N 0 3 268.788 2.321 10 0 CEAEHN CC(C)Oc1ccc([C@H](C)N[C@@H]2CCOC[C@@H]2O)cc1 ZINC000624235875 350239629 /nfs/dbraw/zinc/23/96/29/350239629.db2.gz RFCIZFXUWXNIOA-MAZHCROVSA-N 0 3 279.380 2.274 10 0 CEAEHN CN[C@H](c1csc(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721419 180238395 /nfs/dbraw/zinc/23/83/95/180238395.db2.gz VVMMUWKKKZQPGK-MGPQQGTHSA-N 0 3 266.410 2.180 10 0 CEAEHN CCc1ccc(C(=O)N[C@H](CN)c2ccccc2)o1 ZINC000091777292 180251796 /nfs/dbraw/zinc/25/17/96/180251796.db2.gz QENYVYHPSFTESV-CYBMUJFWSA-N 0 3 258.321 2.272 10 0 CEAEHN CCNCc1ncoc1-c1c(OC)cccc1OC ZINC000091957855 180292480 /nfs/dbraw/zinc/29/24/80/180292480.db2.gz HPXJZLUFZAWGJH-UHFFFAOYSA-N 0 3 262.309 2.468 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2cccs2)C1 ZINC000092052140 180312809 /nfs/dbraw/zinc/31/28/09/180312809.db2.gz JOKMTHCMDALDPN-RYUDHWBXSA-N 0 3 254.399 2.119 10 0 CEAEHN C[C@@H]1CCCN(C(=O)N[C@H](CN)c2ccccc2)C1 ZINC000091972831 180295960 /nfs/dbraw/zinc/29/59/60/180295960.db2.gz DQGCNFSYFABYFK-TZMCWYRMSA-N 0 3 261.369 2.128 10 0 CEAEHN C[C@H]1CCCN(C(=O)N[C@@H](CN)c2ccccc2)C1 ZINC000091972830 180296315 /nfs/dbraw/zinc/29/63/15/180296315.db2.gz DQGCNFSYFABYFK-JSGCOSHPSA-N 0 3 261.369 2.128 10 0 CEAEHN CCCCCNC(=O)[C@@H](C)Oc1ccc(C)nc1CNC ZINC000091994459 180300880 /nfs/dbraw/zinc/30/08/80/180300880.db2.gz FXWHVUHFSPZXLH-CYBMUJFWSA-N 0 3 293.411 2.183 10 0 CEAEHN CNCc1nc(C)ccc1OCCc1scnc1C ZINC000091994329 180301508 /nfs/dbraw/zinc/30/15/08/180301508.db2.gz HAFUFHHAZMFUII-UHFFFAOYSA-N 0 3 277.393 2.496 10 0 CEAEHN Cc1ccc(OCCCO)c(CNC(C)(C)C)n1 ZINC000091996107 180302170 /nfs/dbraw/zinc/30/21/70/180302170.db2.gz RAIOOMDBBLCVDB-UHFFFAOYSA-N 0 3 252.358 2.039 10 0 CEAEHN CC[NH2+]Cc1ccc(S(=O)(=O)[N-][C@H](C)CC)c(F)c1 ZINC000092115788 180327529 /nfs/dbraw/zinc/32/75/29/180327529.db2.gz QXOPMHMGHWYUCW-SNVBAGLBSA-N 0 3 288.388 2.012 10 0 CEAEHN Cc1ccc(N2CCCN(CCOC(C)(C)C)CC2)nn1 ZINC000105801775 186072860 /nfs/dbraw/zinc/07/28/60/186072860.db2.gz NVPQHOLSVDHQAC-UHFFFAOYSA-N 0 3 292.427 2.112 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000092083401 180320118 /nfs/dbraw/zinc/32/01/18/180320118.db2.gz MGCGJBXZOJYSLL-VBQJREDUSA-N 0 3 284.407 2.460 10 0 CEAEHN COc1ccc(CN2C[C@@H](C)[C@H](C)C2)cc1C(N)=S ZINC000092085522 180320192 /nfs/dbraw/zinc/32/01/92/180320192.db2.gz PBDLQWYZANHHKY-GHMZBOCLSA-N 0 3 278.421 2.417 10 0 CEAEHN CC(C)CNCc1cncc(N2C[C@@H](C)[C@H](C)C2)n1 ZINC000092089050 180321686 /nfs/dbraw/zinc/32/16/86/180321686.db2.gz CJRHJBKKNKNFRL-CHWSQXEVSA-N 0 3 262.401 2.314 10 0 CEAEHN CCNCc1ccn(C[C@H]2COc3ccccc32)n1 ZINC000092306729 180360116 /nfs/dbraw/zinc/36/01/16/180360116.db2.gz FJDSJSBKYWVNAJ-LBPRGKRZSA-N 0 3 257.337 2.169 10 0 CEAEHN CCNCc1ccn(C[C@@H]2COc3ccccc32)n1 ZINC000092306728 180360181 /nfs/dbraw/zinc/36/01/81/180360181.db2.gz FJDSJSBKYWVNAJ-GFCCVEGCSA-N 0 3 257.337 2.169 10 0 CEAEHN COc1cc(CNC[C@H]2COc3ccccc32)ccn1 ZINC000092300884 180358433 /nfs/dbraw/zinc/35/84/33/180358433.db2.gz WBLUBTOXHXOWAU-ZDUSSCGKSA-N 0 3 270.332 2.356 10 0 CEAEHN CCOc1ccccc1CNCCn1cc(C)cn1 ZINC000105881313 186083008 /nfs/dbraw/zinc/08/30/08/186083008.db2.gz KSMRNZFUEKMCPW-UHFFFAOYSA-N 0 3 259.353 2.380 10 0 CEAEHN CC[C@H]1CN(CCc2ccccc2)CCN1C[C@@H](C)O ZINC000105826226 186073606 /nfs/dbraw/zinc/07/36/06/186073606.db2.gz LNGOGEFOYITVEX-WBVHZDCISA-N 0 3 276.424 2.006 10 0 CEAEHN CCN[C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)c(C)c1 ZINC000105832428 186076309 /nfs/dbraw/zinc/07/63/09/186076309.db2.gz PZLIANWECWDDQJ-ZFWWWQNUSA-N 0 3 288.391 2.349 10 0 CEAEHN CC(C)CCOCCN1CCCN(c2cccnn2)CC1 ZINC000105909095 186087513 /nfs/dbraw/zinc/08/75/13/186087513.db2.gz KYKRGLTWQMDILM-UHFFFAOYSA-N 0 3 292.427 2.051 10 0 CEAEHN CN(C/C=C/Cl)C1CCN(CCn2cccn2)CC1 ZINC000105915979 186089402 /nfs/dbraw/zinc/08/94/02/186089402.db2.gz DJYMQKREUIJAMX-QHHAFSJGSA-N 0 3 282.819 2.032 10 0 CEAEHN COc1ccccc1[C@H](CN)NCc1ccccc1 ZINC000106024236 186098695 /nfs/dbraw/zinc/09/86/95/186098695.db2.gz MXMIQMGOWKDSPX-HNNXBMFYSA-N 0 3 256.349 2.485 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2Cc1c(C)noc1C ZINC000092341093 180365984 /nfs/dbraw/zinc/36/59/84/180365984.db2.gz DRJZQXSYBJBPQJ-UHFFFAOYSA-N 0 3 290.298 2.419 10 0 CEAEHN CCN[C@@H]1c2cc(OC)ccc2CC[C@@H]1[S@](C)=O ZINC000092389011 180375482 /nfs/dbraw/zinc/37/54/82/180375482.db2.gz YIYKRGQIAHTEKA-PMUMKWKESA-N 0 3 267.394 2.039 10 0 CEAEHN CC(C)[C@@H]1CO[C@@H](c2ccc3c(c2)OCCO3)CN1 ZINC000092403379 180378189 /nfs/dbraw/zinc/37/81/89/180378189.db2.gz VSERRWYEDJBIOB-SWLSCSKDSA-N 0 3 263.337 2.143 10 0 CEAEHN CCNc1ccnc(CSCC(=O)OCC)c1 ZINC000092420904 180381912 /nfs/dbraw/zinc/38/19/12/180381912.db2.gz UYBBCXNEAVDNPA-UHFFFAOYSA-N 0 3 254.355 2.310 10 0 CEAEHN CS(=O)(=O)c1ccc(SCc2cc(N)ccn2)cc1 ZINC000092421018 180382746 /nfs/dbraw/zinc/38/27/46/180382746.db2.gz BBJLNFBEDGCITG-UHFFFAOYSA-N 0 3 294.401 2.360 10 0 CEAEHN Cc1cccc(COc2cc3c(cc2CN)OCO3)n1 ZINC000092427533 180383822 /nfs/dbraw/zinc/38/38/22/180383822.db2.gz GMKGHNCBFYXFDT-UHFFFAOYSA-N 0 3 272.304 2.156 10 0 CEAEHN CC[C@@H](C)N[C@@]1(C(N)=O)CCCc2ccc(OC)cc21 ZINC000092384982 180374157 /nfs/dbraw/zinc/37/41/57/180374157.db2.gz SGECSRPUEOOLJS-BZNIZROVSA-N 0 3 276.380 2.100 10 0 CEAEHN CN[C@H](Cc1nc(-c2ncccn2)no1)c1ccccc1 ZINC000109505396 186257622 /nfs/dbraw/zinc/25/76/22/186257622.db2.gz LLXMVYQZTACRQD-GFCCVEGCSA-N 0 3 281.319 2.030 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC(F)(F)C[C@H]1C ZINC000625980899 350619615 /nfs/dbraw/zinc/61/96/15/350619615.db2.gz WSYKOAUQLIRKTQ-VXGBXAGGSA-N 0 3 265.344 2.284 10 0 CEAEHN COc1ccc(CN[C@@H]2CCCCC[C@H]2O)c(OC)c1 ZINC000109554115 186262929 /nfs/dbraw/zinc/26/29/29/186262929.db2.gz UUTYTHBVJQUEMM-HUUCEWRRSA-N 0 3 279.380 2.487 10 0 CEAEHN COCCN(c1ccc(F)cc1[C@H](C)N)[C@@H](C)COC ZINC000109570190 186263424 /nfs/dbraw/zinc/26/34/24/186263424.db2.gz DLRNMQPBBZOXAQ-RYUDHWBXSA-N 0 3 284.375 2.333 10 0 CEAEHN COCCCN(C)c1cc(CN)nc2ccccc21 ZINC000109589568 186265272 /nfs/dbraw/zinc/26/52/72/186265272.db2.gz OSYUAZABDWQISS-UHFFFAOYSA-N 0 3 259.353 2.166 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=S)Nc1ccccc1 ZINC000109671207 186268964 /nfs/dbraw/zinc/26/89/64/186268964.db2.gz RODGVBPYAGZLIP-CYBMUJFWSA-N 0 3 263.410 2.409 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@H](N[C@@H](C)Cc2cccs2)C1=O ZINC000109379731 186250650 /nfs/dbraw/zinc/25/06/50/186250650.db2.gz OSUIXTGYISXONT-LOWVWBTDSA-N 0 3 294.420 2.195 10 0 CEAEHN NCc1cc(C(F)(F)F)ccc1O[C@@H]1CCOC1 ZINC000110524725 186300673 /nfs/dbraw/zinc/30/06/73/186300673.db2.gz DTAOHRDOZNCSOO-SNVBAGLBSA-N 0 3 261.243 2.332 10 0 CEAEHN CCN[C@@H](CO[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110526233 186301334 /nfs/dbraw/zinc/30/13/34/186301334.db2.gz MLAKGJMUJOADMW-CABCVRRESA-N 0 3 265.353 2.151 10 0 CEAEHN CCCNCc1c(C)cc(C)nc1O[C@H]1CCOC1 ZINC000110532413 186301646 /nfs/dbraw/zinc/30/16/46/186301646.db2.gz ZTDNHIUSWDEMJV-ZDUSSCGKSA-N 0 3 264.369 2.366 10 0 CEAEHN C[C@H]1CCCN(c2nc3ccccn3c2CN)CC1 ZINC000110807694 186326892 /nfs/dbraw/zinc/32/68/92/186326892.db2.gz GKFOLHONVDUIGQ-LBPRGKRZSA-N 0 3 258.369 2.419 10 0 CEAEHN NCc1cc2c(nc1Oc1ccccc1CO)CCC2 ZINC000110992337 186339912 /nfs/dbraw/zinc/33/99/12/186339912.db2.gz DMRPCGSYEXEPSB-UHFFFAOYSA-N 0 3 270.332 2.314 10 0 CEAEHN C[C@H](N)c1ccc(SCCS(C)(=O)=O)c(Cl)c1 ZINC000111005095 186342107 /nfs/dbraw/zinc/34/21/07/186342107.db2.gz ZAGIUCQKXJPKLE-QMMMGPOBSA-N 0 3 293.841 2.496 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc(F)c2F)C[C@H](C)O1 ZINC000111038972 186346978 /nfs/dbraw/zinc/34/69/78/186346978.db2.gz RMVDUHRJFMQHFD-CWSCBRNRSA-N 0 3 270.323 2.074 10 0 CEAEHN Cc1cnccc1NC(=O)[C@H](CN)Cc1ccccc1 ZINC000111043496 186347444 /nfs/dbraw/zinc/34/74/44/186347444.db2.gz BPCVWRZZNHHNMC-AWEZNQCLSA-N 0 3 269.348 2.146 10 0 CEAEHN COc1ccccc1[C@@H](N)CN(C)C[C@@H]1CCCOC1 ZINC000111160541 186363225 /nfs/dbraw/zinc/36/32/25/186363225.db2.gz GWLFDLMSHPEVPJ-ZFWWWQNUSA-N 0 3 278.396 2.053 10 0 CEAEHN CN(Cc1ccc(C(N)=S)cc1F)CC1CCOCC1 ZINC000111163194 186363572 /nfs/dbraw/zinc/36/35/72/186363572.db2.gz WHKBIMCCBAPTNF-UHFFFAOYSA-N 0 3 296.411 2.318 10 0 CEAEHN CCOCCN(CC)C[C@@](C)(CO)c1ccccc1 ZINC000111123264 186355236 /nfs/dbraw/zinc/35/52/36/186355236.db2.gz SKCAVGQTERCJQS-INIZCTEOSA-N 0 3 265.397 2.295 10 0 CEAEHN CCCNCc1cc(CN(CC)CCOCC)on1 ZINC000111123666 186355248 /nfs/dbraw/zinc/35/52/48/186355248.db2.gz DVERWILZUBBZJR-UHFFFAOYSA-N 0 3 269.389 2.033 10 0 CEAEHN CCOCCN(CC)C[C@@H](NC)c1cccc(OC)c1 ZINC000111118301 186355336 /nfs/dbraw/zinc/35/53/36/186355336.db2.gz FHOIHHQTWGBFQV-MRXNPFEDSA-N 0 3 280.412 2.314 10 0 CEAEHN CC(C)Nc1ccccc1C(=O)N(C)CCN(C)C ZINC000111141528 186359246 /nfs/dbraw/zinc/35/92/46/186359246.db2.gz NOVOXHMTYQLEGN-UHFFFAOYSA-N 0 3 263.385 2.141 10 0 CEAEHN CN(C)CCN(C)CC[C@H](O)c1ccc(Cl)cc1 ZINC000111148558 186359604 /nfs/dbraw/zinc/35/96/04/186359604.db2.gz TUCVJWKWCNPILD-AWEZNQCLSA-N 0 3 270.804 2.257 10 0 CEAEHN CNCc1cc(F)ccc1N(C)C[C@H]1CCCOC1 ZINC000111166907 186364483 /nfs/dbraw/zinc/36/44/83/186364483.db2.gz ZHYFQXLYTODVER-GFCCVEGCSA-N 0 3 266.360 2.408 10 0 CEAEHN O=c1cc2c(nn1Cc1csc3ccccc13)CCNC2 ZINC000111314406 186396286 /nfs/dbraw/zinc/39/62/86/186396286.db2.gz OJZUJHWIGGXWPJ-UHFFFAOYSA-N 0 3 297.383 2.152 10 0 CEAEHN CCN(C(=O)c1ccc(CN)cn1)c1ccccc1 ZINC000111281077 186387623 /nfs/dbraw/zinc/38/76/23/186387623.db2.gz VEGUQVJQAISFLB-UHFFFAOYSA-N 0 3 255.321 2.207 10 0 CEAEHN Cc1ccc(NC(=O)c2ccc(CN)cn2)cc1F ZINC000111281124 186388972 /nfs/dbraw/zinc/38/89/72/186388972.db2.gz GOPYGDBMPPTXCS-UHFFFAOYSA-N 0 3 259.284 2.240 10 0 CEAEHN Cc1ncc(CN2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000628181551 350993374 /nfs/dbraw/zinc/99/33/74/350993374.db2.gz HKVSETTUMHNNTM-JSGCOSHPSA-N 0 3 250.342 2.110 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)cn1 ZINC000122295257 187025039 /nfs/dbraw/zinc/02/50/39/187025039.db2.gz GCLFPZNFHQRWNM-LBPRGKRZSA-N 0 3 280.347 2.169 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1cccnc1Cl)N1CCOCC1 ZINC000123321764 187085091 /nfs/dbraw/zinc/08/50/91/187085091.db2.gz MUSXTMQECYDMGX-RYUDHWBXSA-N 0 3 283.803 2.106 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2cccc(C)c2C)CC1 ZINC000123531372 187096744 /nfs/dbraw/zinc/09/67/44/187096744.db2.gz ZBMLKHCCLZSMJS-QGZVFWFLSA-N 0 3 276.424 2.192 10 0 CEAEHN COCc1nc(CNC[C@H]2CCO[C@@H](C)C2)cs1 ZINC000678361958 539833542 /nfs/dbraw/zinc/83/35/42/539833542.db2.gz ORDPPWKXBXZCED-QWRGUYRKSA-N 0 3 270.398 2.194 10 0 CEAEHN COc1ccc([C@@H](N)CO)cc1OCc1ccccc1 ZINC000072199481 363120961 /nfs/dbraw/zinc/12/09/61/363120961.db2.gz FEHHEYDKMBTXPP-AWEZNQCLSA-N 0 3 273.332 2.266 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CC1CCOCC1 ZINC000252694204 539893218 /nfs/dbraw/zinc/89/32/18/539893218.db2.gz XYKLUNNXSMSORD-CVEARBPZSA-N 0 3 266.429 2.362 10 0 CEAEHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COC1(C)CNC1 ZINC000098060877 539960807 /nfs/dbraw/zinc/96/08/07/539960807.db2.gz JSYRXPBQGPFCTM-NSHDSACASA-N 0 3 296.798 2.238 10 0 CEAEHN COc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000155490061 188210506 /nfs/dbraw/zinc/21/05/06/188210506.db2.gz NSCXNPVZLYXJOM-DOMZBBRYSA-N 0 3 276.380 2.154 10 0 CEAEHN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCc3ncnn3C1)CC2 ZINC000175010498 283003773 /nfs/dbraw/zinc/00/37/73/283003773.db2.gz TUAZSONIZZTOHB-OCCSQVGLSA-N 0 3 272.327 2.009 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)Nc2ccc(OCCN(C)C)cc2)O1 ZINC000132980717 366186317 /nfs/dbraw/zinc/18/63/17/366186317.db2.gz IEHWMPSMKRTQAB-IUODEOHRSA-N 0 3 292.379 2.133 10 0 CEAEHN Cc1ccc(C2=C[C@@H](N)CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000675077841 540118916 /nfs/dbraw/zinc/11/89/16/540118916.db2.gz JDSGLBARDJPWSE-CQSZACIVSA-N 0 3 289.379 2.351 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccco2)=C[C@H](N)C1 ZINC000675079459 540119538 /nfs/dbraw/zinc/11/95/38/540119538.db2.gz ZCJLWEUKNLDEHO-NSHDSACASA-N 0 3 264.325 2.241 10 0 CEAEHN CCN[S@@](=O)(=NCC(C)C)c1ccc(N)cc1 ZINC000675074222 540115681 /nfs/dbraw/zinc/11/56/81/540115681.db2.gz DUXHKAOVRRFJNO-QGZVFWFLSA-N 0 3 255.387 2.276 10 0 CEAEHN CCN=[S@@](=O)(c1ccc(N)cc1)N(CC)CC ZINC000675075771 540117188 /nfs/dbraw/zinc/11/71/88/540117188.db2.gz QKVBFPIIVIKELY-KRWDZBQOSA-N 0 3 255.387 2.372 10 0 CEAEHN O=C1c2ccccc2C(=O)N1c1cccc2c1CNC2 ZINC000575500413 366293261 /nfs/dbraw/zinc/29/32/61/366293261.db2.gz RKEFRNFTRVHKDT-UHFFFAOYSA-N 0 3 264.284 2.090 10 0 CEAEHN CN1CC[C@](N)(c2cscc2Br)C1 ZINC000575560348 366295940 /nfs/dbraw/zinc/29/59/40/366295940.db2.gz JAXRFMHQLDLGDB-SECBINFHSA-N 0 3 261.188 2.000 10 0 CEAEHN N[C@]1(c2cnsc2)CCN(Cc2ccccc2)C1 ZINC000575558382 366296500 /nfs/dbraw/zinc/29/65/00/366296500.db2.gz CQRDTBVEDCZFRR-CQSZACIVSA-N 0 3 259.378 2.203 10 0 CEAEHN C[C@]1(C(=O)N2CCC[C@H](C(F)(F)F)C2)CCCCN1 ZINC000136139059 366498603 /nfs/dbraw/zinc/49/86/03/366498603.db2.gz YPBJAFOQROQHGE-CMPLNLGQSA-N 0 3 278.318 2.320 10 0 CEAEHN O[C@H]1CCC[C@@H](CN2CCOc3ccccc3C2)C1 ZINC000311637849 540457276 /nfs/dbraw/zinc/45/72/76/540457276.db2.gz KHBMJEDYVPMABU-HIFRSBDPSA-N 0 3 261.365 2.432 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)COc1ccccc1 ZINC000177016089 189020456 /nfs/dbraw/zinc/02/04/56/189020456.db2.gz CCHNYRJHUIKDMM-CQSZACIVSA-N 0 3 276.380 2.008 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ncccc1C ZINC000177024769 189021639 /nfs/dbraw/zinc/02/16/39/189021639.db2.gz XMWDVUAJGLDNEO-CYBMUJFWSA-N 0 3 276.384 2.338 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000177761491 189067902 /nfs/dbraw/zinc/06/79/02/189067902.db2.gz DWWWGKBCSRTKKW-CZUORRHYSA-N 0 3 296.361 2.168 10 0 CEAEHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000178691395 189137998 /nfs/dbraw/zinc/13/79/98/189137998.db2.gz KBGUAMMVVFBVCP-MGPQQGTHSA-N 0 3 290.432 2.467 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1c1ncc(F)cn1 ZINC000676563417 540934275 /nfs/dbraw/zinc/93/42/75/540934275.db2.gz DJEPNDOZJZCTPZ-QWHCGFSZSA-N 0 3 264.348 2.069 10 0 CEAEHN Cc1cccc([C@@H](C)NC[C@@H]2CN(C)CCO2)c1C ZINC000180501010 189259670 /nfs/dbraw/zinc/25/96/70/189259670.db2.gz ORAMAFVDSMFOHZ-HUUCEWRRSA-N 0 3 262.397 2.285 10 0 CEAEHN Cc1ccc(C[C@H](C)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000181215235 189291310 /nfs/dbraw/zinc/29/13/10/189291310.db2.gz HAERIBLOOSNUML-DOTOQJQBSA-N 0 3 286.419 2.480 10 0 CEAEHN Cc1c(Cl)cccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000082286836 363760566 /nfs/dbraw/zinc/76/05/66/363760566.db2.gz OLNZVHUXPZAHEF-NSHDSACASA-N 0 3 266.772 2.425 10 0 CEAEHN N[C@@H](Cn1ccnc1)c1ccc(Br)cc1 ZINC000011848837 361366515 /nfs/dbraw/zinc/36/65/15/361366515.db2.gz MRZXMUDQTWUEOU-NSHDSACASA-N 0 3 266.142 2.346 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1nnsc1Cl ZINC000083704510 363784856 /nfs/dbraw/zinc/78/48/56/363784856.db2.gz NETDVKBSWXVLAA-VHSXEESVSA-N 0 3 286.832 2.250 10 0 CEAEHN Cc1ncc(C(=O)N[C@H](CN(C)C)c2ccccc2)c(C)n1 ZINC000182536539 189327239 /nfs/dbraw/zinc/32/72/39/189327239.db2.gz XVGFZIQAPYXYRA-MRXNPFEDSA-N 0 3 298.390 2.126 10 0 CEAEHN Cc1cccc2c(NCCn3ccnn3)ccnc12 ZINC000302208085 201397410 /nfs/dbraw/zinc/39/74/10/201397410.db2.gz XSDPIDUWKBXNHZ-UHFFFAOYSA-N 0 3 253.309 2.247 10 0 CEAEHN c1cncc(CNCCCNc2nc(C3CC3)ns2)c1 ZINC000087642623 363865091 /nfs/dbraw/zinc/86/50/91/363865091.db2.gz XPTUWXCRPSRJOO-UHFFFAOYSA-N 0 3 289.408 2.402 10 0 CEAEHN CN(C)CCn1ncc2ccc(Br)cc21 ZINC000089197574 363948959 /nfs/dbraw/zinc/94/89/59/363948959.db2.gz JMRSKQYXYMGSDI-UHFFFAOYSA-N 0 3 268.158 2.360 10 0 CEAEHN CCN1CCC[C@@H](NCc2cncn2C(C)C)C1 ZINC000090208725 364048943 /nfs/dbraw/zinc/04/89/43/364048943.db2.gz XSXDJCOXUYIDTK-CYBMUJFWSA-N 0 3 250.390 2.038 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccs1 ZINC000092677486 364096678 /nfs/dbraw/zinc/09/66/78/364096678.db2.gz YCKVTRKHUGOFRA-NSHDSACASA-N 0 3 252.383 2.304 10 0 CEAEHN C[C@@H]1CN(c2nc3ccccc3nc2NC2CC2)CCN1 ZINC000095069521 364330144 /nfs/dbraw/zinc/33/01/44/364330144.db2.gz SJHGHSHDQGISRI-LLVKDONJSA-N 0 3 283.379 2.002 10 0 CEAEHN O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC000094573584 364278491 /nfs/dbraw/zinc/27/84/91/364278491.db2.gz AVIBPAWEZNIRQE-QMMMGPOBSA-N 0 3 299.168 2.093 10 0 CEAEHN CC(=O)c1cccc(-c2nc3c([nH]2)CNCC3)c1F ZINC000095358793 364345473 /nfs/dbraw/zinc/34/54/73/364345473.db2.gz BZNVYMFJGOMCFW-UHFFFAOYSA-N 0 3 259.284 2.064 10 0 CEAEHN Cn1c(=O)c2c([nH]c1=S)CCN(Cc1ccccc1)C2 ZINC000100088140 364539896 /nfs/dbraw/zinc/53/98/96/364539896.db2.gz ILLBLVIXGWVCNC-UHFFFAOYSA-N 0 3 287.388 2.001 10 0 CEAEHN CCN(CC)[C@H](CNC(=O)[C@H](C)COC)c1ccccc1 ZINC000103360151 364643204 /nfs/dbraw/zinc/64/32/04/364643204.db2.gz JRCOPWVIQRZVEA-GDBMZVCRSA-N 0 3 292.423 2.468 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1nn(C)cc1Cl ZINC000335445623 364744905 /nfs/dbraw/zinc/74/49/05/364744905.db2.gz TUSXYCIGYYMNPR-VXGBXAGGSA-N 0 3 282.819 2.132 10 0 CEAEHN CN(CCc1ccccn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909693 364703073 /nfs/dbraw/zinc/70/30/73/364703073.db2.gz PHAVGYMOEBQXHB-INIZCTEOSA-N 0 3 297.406 2.015 10 0 CEAEHN CN(CCOC(C)(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105804161 364703330 /nfs/dbraw/zinc/70/33/30/364703330.db2.gz UQRVALGOPCGWMY-AWEZNQCLSA-N 0 3 292.427 2.192 10 0 CEAEHN N[C@@H](C(=O)N[C@H]1CCCc2ccccc21)C1CCC1 ZINC000335595789 364810547 /nfs/dbraw/zinc/81/05/47/364810547.db2.gz PEZUSINJHWHBLJ-LSDHHAIUSA-N 0 3 258.365 2.308 10 0 CEAEHN CC(=O)c1ccccc1OCCN1CCN2CCC[C@@H]2C1 ZINC000113164335 364873071 /nfs/dbraw/zinc/87/30/71/364873071.db2.gz ZHDIGRRTZQWPPJ-OAHLLOKOSA-N 0 3 288.391 2.048 10 0 CEAEHN C[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000114328160 364936601 /nfs/dbraw/zinc/93/66/01/364936601.db2.gz TWUWPUNLXPLHON-GXTWGEPZSA-N 0 3 252.402 2.365 10 0 CEAEHN Cn1cc([C@@H]2CCN(CCOc3ccccc3)C2)cn1 ZINC000116320361 365051656 /nfs/dbraw/zinc/05/16/56/365051656.db2.gz BRUYAMPQZPMLAV-CQSZACIVSA-N 0 3 271.364 2.288 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCOC2CCCCCC2)C1 ZINC000118586124 365165902 /nfs/dbraw/zinc/16/59/02/365165902.db2.gz LWHNSAGYFRCKLY-CQSZACIVSA-N 0 3 297.443 2.071 10 0 CEAEHN CC[C@](C)(O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000119395203 365267881 /nfs/dbraw/zinc/26/78/81/365267881.db2.gz NSAQAGWOTDVYLB-HNNXBMFYSA-N 0 3 266.360 2.109 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1ccc(OC)c(Cl)c1 ZINC000119219401 365238290 /nfs/dbraw/zinc/23/82/90/365238290.db2.gz QODKZZVBJCJDJL-NSHDSACASA-N 0 3 270.760 2.092 10 0 CEAEHN Cc1csc(CNC[C@@H]2CCc3nccn3C2)n1 ZINC000275548634 193072061 /nfs/dbraw/zinc/07/20/61/193072061.db2.gz NFXDXPFLRDKIFT-NSHDSACASA-N 0 3 262.382 2.000 10 0 CEAEHN CCc1nnc(CN[C@H]2CCCCC2(C)C)n1C ZINC000119852232 365334417 /nfs/dbraw/zinc/33/44/17/365334417.db2.gz LBYXNXFEQPOMNM-NSHDSACASA-N 0 3 250.390 2.436 10 0 CEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000120479003 365430271 /nfs/dbraw/zinc/43/02/71/365430271.db2.gz IWWWBADYMYMYQT-HOTUBEGUSA-N 0 3 271.357 2.288 10 0 CEAEHN CCC[C@@H](C(=O)NCc1cc(F)ccc1F)N(C)C ZINC000162021408 367131227 /nfs/dbraw/zinc/13/12/27/367131227.db2.gz NJOODEFSCQXTEW-ZDUSSCGKSA-N 0 3 270.323 2.311 10 0 CEAEHN C[C@]1(C(=O)N2CCc3ccsc3C2)CCCCN1 ZINC000335551234 212256144 /nfs/dbraw/zinc/25/61/44/212256144.db2.gz CMRSKYBEAZOGBU-CQSZACIVSA-N 0 3 264.394 2.165 10 0 CEAEHN CC[C@](C)(O)CN(C)Cc1cc(Br)cn1C ZINC000161542167 367095895 /nfs/dbraw/zinc/09/58/95/367095895.db2.gz PCXJPXYIGWDQOG-LBPRGKRZSA-N 0 3 289.217 2.380 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)Oc1ccccc1 ZINC000245438103 370819621 /nfs/dbraw/zinc/81/96/21/370819621.db2.gz XLQVCDRLLFCGQL-LSDHHAIUSA-N 0 3 290.407 2.397 10 0 CEAEHN CC(=O)c1ccccc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000245464817 370823844 /nfs/dbraw/zinc/82/38/44/370823844.db2.gz PSNBAGHQIJAYRT-JSGCOSHPSA-N 0 3 286.375 2.198 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000245473456 370826899 /nfs/dbraw/zinc/82/68/99/370826899.db2.gz QAJNZTNPNIFCET-CVEARBPZSA-N 0 3 297.487 2.436 10 0 CEAEHN Cc1nc([C@@H]2CN(C[C@H]3CCC[C@H](C)C3)CCO2)n[nH]1 ZINC000245535176 370833126 /nfs/dbraw/zinc/83/31/26/370833126.db2.gz KITRSJNMRBBKOR-UBHSHLNASA-N 0 3 278.400 2.313 10 0 CEAEHN Cc1cc2ccccc2n1CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170858885 367432371 /nfs/dbraw/zinc/43/23/71/367432371.db2.gz DFMFMOJVBXQSEE-OAHLLOKOSA-N 0 3 285.391 2.112 10 0 CEAEHN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170860356 367432690 /nfs/dbraw/zinc/43/26/90/367432690.db2.gz LHEGXTJUDOOURW-DGCLKSJQSA-N 0 3 296.798 2.270 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCc2ccccc2Cl)C1 ZINC000170861323 367434352 /nfs/dbraw/zinc/43/43/52/367434352.db2.gz GJNVDFOLGHUMPX-CYBMUJFWSA-N 0 3 280.799 2.435 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCCOc2ccccc2F)C1 ZINC000170864681 367436573 /nfs/dbraw/zinc/43/65/73/367436573.db2.gz BEQGDHISGSUKQE-ZDUSSCGKSA-N 0 3 294.370 2.147 10 0 CEAEHN CC(C)c1csc(NC(=O)N2CC[C@@H](N(C)C)C2)n1 ZINC000170874698 367438201 /nfs/dbraw/zinc/43/82/01/367438201.db2.gz XDVOMJLDGOKHLH-SNVBAGLBSA-N 0 3 282.413 2.434 10 0 CEAEHN O=C(NCCN1CCCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171770339 367612604 /nfs/dbraw/zinc/61/26/04/367612604.db2.gz BNLCMCQBFNWRSS-STQMWFEESA-N 0 3 294.345 2.280 10 0 CEAEHN C[C@@H]1CCC[C@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171904089 367635729 /nfs/dbraw/zinc/63/57/29/367635729.db2.gz AOZJSTAAIVNLAL-QLFBSQMISA-N 0 3 279.428 2.302 10 0 CEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1C[C@@H]1C ZINC000245841939 370879041 /nfs/dbraw/zinc/87/90/41/370879041.db2.gz DQDHFAXRIKHJON-GUTXKFCHSA-N 0 3 275.396 2.215 10 0 CEAEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCS[C@@H](C)C1 ZINC000245805165 370875385 /nfs/dbraw/zinc/87/53/85/370875385.db2.gz BYWLMHAZKHAYRT-RDBSUJKOSA-N 0 3 299.484 2.254 10 0 CEAEHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccc(-n2cncn2)cc1 ZINC000245957825 370893486 /nfs/dbraw/zinc/89/34/86/370893486.db2.gz MDURWOVGUGUULV-TUKIKUTGSA-N 0 3 286.379 2.077 10 0 CEAEHN COC[C@@H](O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000172987917 367853759 /nfs/dbraw/zinc/85/37/59/367853759.db2.gz BNVPVMLOINQZHY-QWHCGFSZSA-N 0 3 253.342 2.122 10 0 CEAEHN Cn1ccc2ccc(NC(=O)N3CCN4CCC[C@H]4C3)cc21 ZINC000173470882 367913533 /nfs/dbraw/zinc/91/35/33/367913533.db2.gz BBVKOAYZWAQXQR-HNNXBMFYSA-N 0 3 298.390 2.490 10 0 CEAEHN C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1cccc(F)c1 ZINC000173500226 367916330 /nfs/dbraw/zinc/91/63/30/367916330.db2.gz HEWLNRWHWXXLEG-SMDDNHRTSA-N 0 3 264.344 2.092 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000173763179 367941938 /nfs/dbraw/zinc/94/19/38/367941938.db2.gz OCGOIAXZTVOWNA-DZGCQCFKSA-N 0 3 290.432 2.180 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000175008888 368088737 /nfs/dbraw/zinc/08/87/37/368088737.db2.gz NAHFUYABFRNXOD-VXGBXAGGSA-N 0 3 293.798 2.434 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccc(C)cc1 ZINC000175350705 368129170 /nfs/dbraw/zinc/12/91/70/368129170.db2.gz CIZAMUCKYSKODD-MRXNPFEDSA-N 0 3 289.423 2.350 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000163854127 541680792 /nfs/dbraw/zinc/68/07/92/541680792.db2.gz OAMSBSGGVREEMR-JSGCOSHPSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@@H]1C[C@H]1c1ccc(CN2CCO[C@@H](CN(C)C)C2)o1 ZINC000246233134 370932226 /nfs/dbraw/zinc/93/22/26/370932226.db2.gz RTUWROCHDWCYCG-VHDGCEQUSA-N 0 3 278.396 2.165 10 0 CEAEHN CO[C@@H]1CCCN(C[C@H](O)COc2cc(C)ccc2C)C1 ZINC000246144102 370915377 /nfs/dbraw/zinc/91/53/77/370915377.db2.gz RWKWBVYSVUMYIP-JKSUJKDBSA-N 0 3 293.407 2.154 10 0 CEAEHN C[C@@]1(C(=O)N2CCCC(F)(F)CC2)CCCCN1 ZINC000634738667 368852098 /nfs/dbraw/zinc/85/20/98/368852098.db2.gz WKEPQDDMFQCKGF-LBPRGKRZSA-N 0 3 260.328 2.166 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2cncc(C)c2)C12CCOCC2 ZINC000186435746 368973472 /nfs/dbraw/zinc/97/34/72/368973472.db2.gz WZZPSSODXLETNE-CVEARBPZSA-N 0 3 290.407 2.454 10 0 CEAEHN COc1ccsc1[C@@H](C)N[C@H]1CCc2ncnn2C1 ZINC000186207398 368937085 /nfs/dbraw/zinc/93/70/85/368937085.db2.gz OYWSTTIOBJXIKB-ZJUUUORDSA-N 0 3 278.381 2.014 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2c(C)noc2C)C12CCOCC2 ZINC000186275448 368948965 /nfs/dbraw/zinc/94/89/65/368948965.db2.gz QLSXWWXOCUIUCW-GJZGRUSLSA-N 0 3 294.395 2.355 10 0 CEAEHN C[C@@H](NC[C@H](O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000268849661 296131739 /nfs/dbraw/zinc/13/17/39/296131739.db2.gz COGIOAOTFZLLJK-RISCZKNCSA-N 0 3 299.436 2.148 10 0 CEAEHN COc1ccc(CN(C)[C@H]2CCC[C@H]2O)cc1OC ZINC000348545724 369081440 /nfs/dbraw/zinc/08/14/40/369081440.db2.gz LCKJULORDYAJRM-QWHCGFSZSA-N 0 3 265.353 2.049 10 0 CEAEHN CC[C@@H](O)CN1CCN(CCCCc2ccccc2)CC1 ZINC000187089184 369100023 /nfs/dbraw/zinc/10/00/23/369100023.db2.gz OOCNPKRJDOEZNS-GOSISDBHSA-N 0 3 290.451 2.398 10 0 CEAEHN OC[C@@H]1CN(Cc2ccncc2)C[C@H]1c1ccsc1 ZINC000188085111 369293156 /nfs/dbraw/zinc/29/31/56/369293156.db2.gz OEICZVMKUISRLE-GJZGRUSLSA-N 0 3 274.389 2.351 10 0 CEAEHN CCC[C@H](C(=O)NCC[C@@](C)(O)c1ccccc1)N(C)C ZINC000188944153 369433195 /nfs/dbraw/zinc/43/31/95/369433195.db2.gz XQVRRLVBHURYFA-NVXWUHKLSA-N 0 3 292.423 2.131 10 0 CEAEHN FC(F)COCCN1CC[C@@H](CNc2ccccn2)C1 ZINC000189367384 369506312 /nfs/dbraw/zinc/50/63/12/369506312.db2.gz KGVDLCQGEYSETP-LBPRGKRZSA-N 0 3 285.338 2.097 10 0 CEAEHN Cc1cccnc1NC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246469970 370964998 /nfs/dbraw/zinc/96/49/98/370964998.db2.gz ZOWWVGYAOTVDDV-CHWSQXEVSA-N 0 3 276.384 2.240 10 0 CEAEHN COCCc1ccccc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000189537966 369533710 /nfs/dbraw/zinc/53/37/10/369533710.db2.gz UHPPMTMNLIPPOY-AWEZNQCLSA-N 0 3 291.395 2.043 10 0 CEAEHN Cn1ccc2cccc(NC(=O)N3CCN4CCC[C@H]4C3)c21 ZINC000190051174 369592684 /nfs/dbraw/zinc/59/26/84/369592684.db2.gz ISMVRILUBZEXMD-AWEZNQCLSA-N 0 3 298.390 2.490 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)N(CCN(C)C)c1ccccc1 ZINC000190687931 369646386 /nfs/dbraw/zinc/64/63/86/369646386.db2.gz QUXIHNOGEYMKRE-HOCLYGCPSA-N 0 3 290.407 2.396 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000190971787 369664923 /nfs/dbraw/zinc/66/49/23/369664923.db2.gz XJYBFRVMLMGODK-RDBSUJKOSA-N 0 3 267.417 2.301 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN1CCC(c2ccncc2)CC1 ZINC000191629328 369728321 /nfs/dbraw/zinc/72/83/21/369728321.db2.gz NLPXQMDCIGYCIK-MRXNPFEDSA-N 0 3 292.423 2.437 10 0 CEAEHN CCCCOC[C@@H](O)CN[C@H](C)c1cccc(O)c1 ZINC000195213259 370115990 /nfs/dbraw/zinc/11/59/90/370115990.db2.gz OCBSHOCDQXTJIU-DOMZBBRYSA-N 0 3 267.369 2.220 10 0 CEAEHN CNc1cccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000638117488 370315380 /nfs/dbraw/zinc/31/53/80/370315380.db2.gz UZEYCZIXTXYYPD-SWLSCSKDSA-N 0 3 273.380 2.037 10 0 CEAEHN CCC(=O)CCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000232872242 370514415 /nfs/dbraw/zinc/51/44/15/370514415.db2.gz SAXFPVRYSANSES-UONOGXRCSA-N 0 3 252.402 2.304 10 0 CEAEHN C[C@@]1(C(=O)Nc2cc(Cl)ccn2)CCCCN1 ZINC000235389591 370563585 /nfs/dbraw/zinc/56/35/85/370563585.db2.gz WMIDEOFLNGMBHV-LBPRGKRZSA-N 0 3 253.733 2.206 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1sccc1OC ZINC000246868172 371023063 /nfs/dbraw/zinc/02/30/63/371023063.db2.gz DSEGEHKKDOJSSF-RYUDHWBXSA-N 0 3 294.420 2.456 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC[C@H](C)C(C)C)C1 ZINC000247046252 371054402 /nfs/dbraw/zinc/05/44/02/371054402.db2.gz WNWVDWXGGDJCBJ-QWHCGFSZSA-N 0 3 255.406 2.062 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H]1CCCO1 ZINC000247094393 371065012 /nfs/dbraw/zinc/06/50/12/371065012.db2.gz HTVRHGUCCPCCHR-ZIAGYGMSSA-N 0 3 263.385 2.353 10 0 CEAEHN CC[C@@H](c1ccccc1)N1CCO[C@@H](CN(C)C)C1 ZINC000247109376 371066288 /nfs/dbraw/zinc/06/62/88/371066288.db2.gz IXXLOUPXPPLRHR-HOTGVXAUSA-N 0 3 262.397 2.400 10 0 CEAEHN CC[C@H]1CN(CCc2ccccc2)CCN1C[C@H](C)O ZINC000247150759 371070692 /nfs/dbraw/zinc/07/06/92/371070692.db2.gz LNGOGEFOYITVEX-RDJZCZTQSA-N 0 3 276.424 2.006 10 0 CEAEHN COCCN1CCN(CCc2ccc(C)cc2)C[C@@H]1C ZINC000247244121 371082418 /nfs/dbraw/zinc/08/24/18/371082418.db2.gz ZJJUKQVWRQAMQH-INIZCTEOSA-N 0 3 276.424 2.190 10 0 CEAEHN CC[C@@H]1CN(Cc2cc(F)ccc2F)CCN1C[C@H](C)O ZINC000247778640 371141245 /nfs/dbraw/zinc/14/12/45/371141245.db2.gz RJAVSRMCMHKADB-SWLSCSKDSA-N 0 3 298.377 2.242 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(C[C@H]3CCC=CO3)C2)no1 ZINC000248825387 371249671 /nfs/dbraw/zinc/24/96/71/371249671.db2.gz FZMGDKJISLCNRG-ZIAGYGMSSA-N 0 3 277.368 2.325 10 0 CEAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000248852459 371255869 /nfs/dbraw/zinc/25/58/69/371255869.db2.gz HQDRZBDKGISHRK-AIEDFZFUSA-N 0 3 282.428 2.037 10 0 CEAEHN CC[C@](C)(O)CN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000249347202 371314954 /nfs/dbraw/zinc/31/49/54/371314954.db2.gz JWVJLBLZMAETFA-RDJZCZTQSA-N 0 3 290.407 2.275 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC000249612861 371347085 /nfs/dbraw/zinc/34/70/85/371347085.db2.gz RONRWJLFGOFHDV-LSDHHAIUSA-N 0 3 290.407 2.363 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccc(CO)cc1 ZINC000252764599 371477646 /nfs/dbraw/zinc/47/76/46/371477646.db2.gz HZOAKYXXHFXCCS-YOEHRIQHSA-N 0 3 274.408 2.238 10 0 CEAEHN Cc1cncc(/C=C\C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000255252763 371569151 /nfs/dbraw/zinc/56/91/51/371569151.db2.gz WBDSHMLNYFTBAC-MWWKQMNYSA-N 0 3 289.423 2.496 10 0 CEAEHN COc1cccc(CN2CCC3(CC[C@H]3OC)CC2)n1 ZINC000257180133 371601616 /nfs/dbraw/zinc/60/16/16/371601616.db2.gz KEEBPJLQZMDIHP-CQSZACIVSA-N 0 3 276.380 2.481 10 0 CEAEHN CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261762115 371723425 /nfs/dbraw/zinc/72/34/25/371723425.db2.gz LVIVNCWNYBLUHG-CABCVRRESA-N 0 3 296.455 2.415 10 0 CEAEHN OC[C@@H]1CN(C[C@@H]2Cc3ccccc32)C[C@H]1C(F)(F)F ZINC000640044129 371766167 /nfs/dbraw/zinc/76/61/67/371766167.db2.gz NQXAOYQAJSQFAX-SGMGOOAPSA-N 0 3 285.309 2.429 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000262704336 371899105 /nfs/dbraw/zinc/89/91/05/371899105.db2.gz LAKOXXIGYDGOIE-MRXNPFEDSA-N 0 3 286.379 2.210 10 0 CEAEHN C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CNCCOC1 ZINC000643634693 373227098 /nfs/dbraw/zinc/22/70/98/373227098.db2.gz CWKPCPYKRJLMPI-VXGBXAGGSA-N 0 3 296.798 2.095 10 0 CEAEHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000643987652 373326707 /nfs/dbraw/zinc/32/67/07/373326707.db2.gz BHNJENDJVNASKE-ZIAGYGMSSA-N 0 3 258.365 2.178 10 0 CEAEHN C[C@@H](NC(=O)[C@@H]1CNCCC1(F)F)c1cccs1 ZINC000644016489 373340664 /nfs/dbraw/zinc/34/06/64/373340664.db2.gz XEWZOOVJYWSDPL-BDAKNGLRSA-N 0 3 274.336 2.170 10 0 CEAEHN CCCCOC[C@@H](O)CN(CC)Cc1ccoc1 ZINC000683993961 541904754 /nfs/dbraw/zinc/90/47/54/541904754.db2.gz WFMQILHMEMJUFV-AWEZNQCLSA-N 0 3 255.358 2.279 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000282320296 375456266 /nfs/dbraw/zinc/45/62/66/375456266.db2.gz NNYOPAPYJYCLNH-ZMLRMANQSA-N 0 3 264.394 2.382 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(OC(F)F)cc1 ZINC000282285843 375447967 /nfs/dbraw/zinc/44/79/67/375447967.db2.gz IOJZNXZIGKDLJU-CABZTGNLSA-N 0 3 284.306 2.045 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(OC(F)F)cc1 ZINC000282285847 375448003 /nfs/dbraw/zinc/44/80/03/375448003.db2.gz IOJZNXZIGKDLJU-JOYOIKCWSA-N 0 3 284.306 2.045 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1ccc(F)c(F)c1 ZINC000282500708 375500809 /nfs/dbraw/zinc/50/08/09/375500809.db2.gz WRFVKEBOJVJWFT-RWEMILLDSA-N 0 3 268.307 2.283 10 0 CEAEHN COc1ccc([C@H](C)N[C@H]2CCC(=O)N[C@H]2C)cc1F ZINC000282510613 375503121 /nfs/dbraw/zinc/50/31/21/375503121.db2.gz YVPNRKWKINDOHY-KWBADKCTSA-N 0 3 280.343 2.152 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H]2CCc3cc(F)ccc32)C1 ZINC000165261554 541998381 /nfs/dbraw/zinc/99/83/81/541998381.db2.gz JGLWXVPGKKGILB-GDBMZVCRSA-N 0 3 278.371 2.123 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F ZINC000262175927 190050293 /nfs/dbraw/zinc/05/02/93/190050293.db2.gz YKBPZCBVNUMASI-LWWSYDQCSA-N 0 3 296.386 2.391 10 0 CEAEHN FC(F)c1nnc(NCCCNCc2cccnc2)s1 ZINC000312799188 376728649 /nfs/dbraw/zinc/72/86/49/376728649.db2.gz IPRNYVICWBQYHA-UHFFFAOYSA-N 0 3 299.350 2.463 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCc2cn(C)cn2)c1C ZINC000313249231 249388359 /nfs/dbraw/zinc/38/83/59/249388359.db2.gz DKELBWIWIJXBPA-LLVKDONJSA-N 0 3 275.400 2.147 10 0 CEAEHN Cc1cnc(CCN2CCN3CCCC[C@H]3C2)c(C)c1 ZINC000567497428 377830348 /nfs/dbraw/zinc/83/03/48/377830348.db2.gz WKVYKCMGSHPKMH-INIZCTEOSA-N 0 3 273.424 2.411 10 0 CEAEHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180857815 542267952 /nfs/dbraw/zinc/26/79/52/542267952.db2.gz SHOIJZOGGNENGM-ZYHUDNBSSA-N 0 3 288.399 2.099 10 0 CEAEHN C[C@H]1OCC[C@H]1NCc1cccnc1C(F)(F)F ZINC000528512817 379998117 /nfs/dbraw/zinc/99/81/17/379998117.db2.gz NRXMCNKNSGKTFB-PSASIEDQSA-N 0 3 260.259 2.367 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2ccc(Br)o2)C1 ZINC000037164955 542278204 /nfs/dbraw/zinc/27/82/04/542278204.db2.gz LNCPRWODRGKUHD-RKDXNWHRSA-N 0 3 274.158 2.435 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000334745950 207006871 /nfs/dbraw/zinc/00/68/71/207006871.db2.gz LNWAILVPOJXFSF-CZUORRHYSA-N 0 3 271.364 2.075 10 0 CEAEHN CCN(C(=O)CN[C@@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000183086223 542286536 /nfs/dbraw/zinc/28/65/36/542286536.db2.gz QWWNWGNJBNGHRU-ZFWWWQNUSA-N 0 3 282.428 2.325 10 0 CEAEHN Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000183171847 542287255 /nfs/dbraw/zinc/28/72/55/542287255.db2.gz IGQPLFKQSPYWJZ-YCPHGPKFSA-N 0 3 290.407 2.157 10 0 CEAEHN C[C@@H](NCC(=O)NCCC1CCCCC1)[C@H]1CCCO1 ZINC000183125710 542287863 /nfs/dbraw/zinc/28/78/63/542287863.db2.gz LGTLFNKFBLLOEF-UKRRQHHQSA-N 0 3 282.428 2.230 10 0 CEAEHN CNC(=O)[C@H](NCc1cc(C)nc2ccccc12)C(C)C ZINC000183651444 542294278 /nfs/dbraw/zinc/29/42/78/542294278.db2.gz PGKLGLWHELGXEW-MRXNPFEDSA-N 0 3 285.391 2.403 10 0 CEAEHN CN1C(=O)CC[C@@H](N)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000070985015 184574070 /nfs/dbraw/zinc/57/40/70/184574070.db2.gz HKFOUVUCUWLTGB-PWSUYJOCSA-N 0 3 272.270 2.326 10 0 CEAEHN CCCN[C@](CO)(CN(C)CCC)c1ccccc1 ZINC000085239523 184608303 /nfs/dbraw/zinc/60/83/03/184608303.db2.gz NZKSBEDSAHRRLJ-INIZCTEOSA-N 0 3 264.413 2.216 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H]([S@](=O)C(C)(C)C)C2 ZINC000092859446 184632430 /nfs/dbraw/zinc/63/24/30/184632430.db2.gz DHJAWFRBAMGQJG-ZJNRKIDTSA-N 0 3 267.394 2.167 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000177696270 285241313 /nfs/dbraw/zinc/24/13/13/285241313.db2.gz YGIHLDPOYZUXKJ-JKSUJKDBSA-N 0 3 295.471 2.050 10 0 CEAEHN COC(=O)c1ccc(CNCC2C[C@@H](C)O[C@H](C)C2)o1 ZINC000281421669 195233345 /nfs/dbraw/zinc/23/33/45/195233345.db2.gz YYDXJBGQOUWZMJ-GHMZBOCLSA-N 0 3 281.352 2.359 10 0 CEAEHN CC[C@H](NC)[C@H](C)S(=O)(=O)c1cc(F)ccc1F ZINC000081945788 177907216 /nfs/dbraw/zinc/90/72/16/177907216.db2.gz QQPWMCWGGUDWLM-KWQFWETISA-N 0 3 277.336 2.125 10 0 CEAEHN N=C(N)c1cccc(Oc2cncc(Br)c2)n1 ZINC000081622476 177833626 /nfs/dbraw/zinc/83/36/26/177833626.db2.gz MBGTZHRGTVXXPB-UHFFFAOYSA-N 0 3 293.124 2.315 10 0 CEAEHN CN(C(=O)[C@@H]1CCCCCN1)c1ccccc1F ZINC000081018392 177756459 /nfs/dbraw/zinc/75/64/59/177756459.db2.gz ZFEREZCZSDSKGR-LBPRGKRZSA-N 0 3 250.317 2.321 10 0 CEAEHN CCCN(CCN(C)C)c1nc([C@H](C)NC)cs1 ZINC000080805932 177710172 /nfs/dbraw/zinc/71/01/72/177710172.db2.gz WAWRPUODRLEJND-NSHDSACASA-N 0 3 270.446 2.202 10 0 CEAEHN CC(C)NCc1csc(N2CCN3CCCC[C@@H]3C2)n1 ZINC000094444616 184801248 /nfs/dbraw/zinc/80/12/48/184801248.db2.gz JFGQUGKBRKVNLS-CQSZACIVSA-N 0 3 294.468 2.316 10 0 CEAEHN CC(C)Oc1nc(Cl)nc(OCC(C)(C)N(C)C)n1 ZINC000093955071 184745737 /nfs/dbraw/zinc/74/57/37/184745737.db2.gz BFJCLCXOWVSTHW-UHFFFAOYSA-N 0 3 288.779 2.031 10 0 CEAEHN CCN[C@H](C(OCC)OCC)[C@H]1CCc2cccnc21 ZINC000094138870 184755948 /nfs/dbraw/zinc/75/59/48/184755948.db2.gz QRMSEINUNVLYAL-ZFWWWQNUSA-N 0 3 278.396 2.489 10 0 CEAEHN CCc1noc(COc2ccc(CNC(C)(C)C)nc2)n1 ZINC000094211657 184763606 /nfs/dbraw/zinc/76/36/06/184763606.db2.gz VJASIPYUEHPKFI-UHFFFAOYSA-N 0 3 290.367 2.494 10 0 CEAEHN CCCN[C@H](c1cnn(C)c1)[C@H]1CSCCS1 ZINC000094498702 184810347 /nfs/dbraw/zinc/81/03/47/184810347.db2.gz RQJGKQZKDQTZKI-VXGBXAGGSA-N 0 3 271.455 2.309 10 0 CEAEHN CC(C)(C)NCc1ccnn1Cc1nccs1 ZINC000094978853 184909993 /nfs/dbraw/zinc/90/99/93/184909993.db2.gz FXKXRUJMIXQFBW-UHFFFAOYSA-N 0 3 250.371 2.276 10 0 CEAEHN COc1ncccc1CN1CCNCc2ccccc21 ZINC000095009382 184914723 /nfs/dbraw/zinc/91/47/23/184914723.db2.gz OJHLTCFJPPFIPT-UHFFFAOYSA-N 0 3 269.348 2.200 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)C(C)C)cc1F ZINC000094956477 184903486 /nfs/dbraw/zinc/90/34/86/184903486.db2.gz OJEMFLFGZGKTAY-ZWNOBZJWSA-N 0 3 252.333 2.295 10 0 CEAEHN COc1cc(OC)cc(N2CCNC[C@H]2C(C)C)c1 ZINC000083479499 135023805 /nfs/dbraw/zinc/02/38/05/135023805.db2.gz WHCOGLGOJNCPKU-HNNXBMFYSA-N 0 3 264.369 2.138 10 0 CEAEHN N[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)c2ccccc21 ZINC000087203557 135049177 /nfs/dbraw/zinc/04/91/77/135049177.db2.gz JLPLWRLAZFXJRA-TZMCWYRMSA-N 0 3 274.364 2.382 10 0 CEAEHN NCc1cc(N2CCC[C@H](C(F)(F)F)C2)ccn1 ZINC000088416197 135054301 /nfs/dbraw/zinc/05/43/01/135054301.db2.gz KGDZHLRZIUMANQ-VIFPVBQESA-N 0 3 259.275 2.319 10 0 CEAEHN C[C@@H]1CC[C@H](C)N(c2ccc(CNC3CC3)nn2)C1 ZINC000088710956 135056438 /nfs/dbraw/zinc/05/64/38/135056438.db2.gz IFJZAKXCVQDDEL-NEPJUHHUSA-N 0 3 260.385 2.353 10 0 CEAEHN NCc1cc(Cl)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905337 135066052 /nfs/dbraw/zinc/06/60/52/135066052.db2.gz FJUMZLVKCISPIL-TXEJJXNPSA-N 0 3 252.745 2.166 10 0 CEAEHN Cc1ccc2c(c1)CCCN2CC[C@H]1CNCCO1 ZINC000091313638 135067772 /nfs/dbraw/zinc/06/77/72/135067772.db2.gz HUPBMMUQTQQPAQ-HNNXBMFYSA-N 0 3 260.381 2.126 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1cccc(F)c1CN ZINC000093395231 135080315 /nfs/dbraw/zinc/08/03/15/135080315.db2.gz ZNYPUEZHHUFQAC-QWRGUYRKSA-N 0 3 252.333 2.288 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CCN1CCN(c2ccccc2)CC1 ZINC000093584344 135081538 /nfs/dbraw/zinc/08/15/38/135081538.db2.gz GFVZILYFMGDYQF-NVXWUHKLSA-N 0 3 274.408 2.360 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1c1cc(Cl)ncn1 ZINC000094442743 135088836 /nfs/dbraw/zinc/08/88/36/135088836.db2.gz GRKXAIZDWDGZTM-WDEREUQCSA-N 0 3 266.776 2.193 10 0 CEAEHN Fc1ccc2ncnc(N3CCN4CCCC[C@@H]4C3)c2c1 ZINC000301258259 394459138 /nfs/dbraw/zinc/45/91/38/394459138.db2.gz UKONYDGPPPJPNM-CYBMUJFWSA-N 0 3 286.354 2.443 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000236865805 394487392 /nfs/dbraw/zinc/48/73/92/394487392.db2.gz WSSZQSKDINFZAI-OLZOCXBDSA-N 0 3 264.369 2.006 10 0 CEAEHN CCc1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000246468461 394516318 /nfs/dbraw/zinc/51/63/18/394516318.db2.gz NXIHMIQEIZHTBY-YJBOKZPZSA-N 0 3 288.435 2.402 10 0 CEAEHN Brc1cc(CNC2=NCCS2)co1 ZINC000306525723 394516379 /nfs/dbraw/zinc/51/63/79/394516379.db2.gz RDDAYGZUTAWRBA-UHFFFAOYSA-N 0 3 261.144 2.235 10 0 CEAEHN Cc1csc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000246168590 394510072 /nfs/dbraw/zinc/51/00/72/394510072.db2.gz FGSCPKGPLPXWQQ-MWLCHTKSSA-N 0 3 282.413 2.302 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2cccc(C)c2)C1 ZINC000052522749 394557712 /nfs/dbraw/zinc/55/77/12/394557712.db2.gz DWCGBGJTABZNKH-HNNXBMFYSA-N 0 3 275.396 2.279 10 0 CEAEHN CC[C@H]1CN(CCCc2ccccc2)CCN1C[C@H](C)O ZINC000252321823 394570432 /nfs/dbraw/zinc/57/04/32/394570432.db2.gz ZBRABSTWEOQQHE-WMZOPIPTSA-N 0 3 290.451 2.396 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccccc2F)C1 ZINC000048769318 394528283 /nfs/dbraw/zinc/52/82/83/394528283.db2.gz HWXWXOAEWMBNIQ-LLVKDONJSA-N 0 3 265.332 2.432 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(OC)c2)C1 ZINC000048769126 394528322 /nfs/dbraw/zinc/52/83/22/394528322.db2.gz SPIOKWRBFGPRCC-ZDUSSCGKSA-N 0 3 277.368 2.301 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2ccccc2F)C1 ZINC000048768898 394528390 /nfs/dbraw/zinc/52/83/90/394528390.db2.gz YYYZIIIJTIRBPF-ZDUSSCGKSA-N 0 3 279.359 2.109 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2nc(C)cs2)C1 ZINC000049210936 394543212 /nfs/dbraw/zinc/54/32/12/394543212.db2.gz MKYYTQJOFQMDEU-SNVBAGLBSA-N 0 3 268.386 2.057 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000248858995 394548579 /nfs/dbraw/zinc/54/85/79/394548579.db2.gz RFXBYHVDFXLZDR-BYNSBNAKSA-N 0 3 282.428 2.323 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1cnc(Cl)s1 ZINC000094342847 394670567 /nfs/dbraw/zinc/67/05/67/394670567.db2.gz SHTSFNXDHZCVLX-VHSXEESVSA-N 0 3 271.817 2.465 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1ccco1 ZINC000079495802 394632214 /nfs/dbraw/zinc/63/22/14/394632214.db2.gz NGRMVGNKKNNMQP-CYBMUJFWSA-N 0 3 281.400 2.397 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(N(C)C)c1 ZINC000113444789 394747891 /nfs/dbraw/zinc/74/78/91/394747891.db2.gz DREZXOUWNQTOMF-XJKSGUPXSA-N 0 3 287.407 2.061 10 0 CEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000120522876 394780516 /nfs/dbraw/zinc/78/05/16/394780516.db2.gz FKUZPPRXGRVXGS-SQWLQELKSA-N 0 3 294.439 2.228 10 0 CEAEHN CN(C)C(=O)CN[C@H]1c2ccccc2CCC1(C)C ZINC000156726607 395033206 /nfs/dbraw/zinc/03/32/06/395033206.db2.gz QJVVRWYPLKFHJQ-HNNXBMFYSA-N 0 3 260.381 2.378 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCCC3(CC3)C2)[C@@H](C)C1 ZINC000185846359 395283168 /nfs/dbraw/zinc/28/31/68/395283168.db2.gz NVVVCFGETGYHQF-KBPBESRZSA-N 0 3 279.428 2.301 10 0 CEAEHN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1ccnn1C ZINC000192246516 395378633 /nfs/dbraw/zinc/37/86/33/395378633.db2.gz HGNCJZKUANAEEI-UKRRQHHQSA-N 0 3 272.396 2.374 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCSC[C@@H](C)C2)C1 ZINC000192345752 395380649 /nfs/dbraw/zinc/38/06/49/395380649.db2.gz RVTQHJLYKSEIBX-MELADBBJSA-N 0 3 299.484 2.110 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC000194633309 395444317 /nfs/dbraw/zinc/44/43/17/395444317.db2.gz YVMLLBSYTBQRCN-ZIAGYGMSSA-N 0 3 276.380 2.054 10 0 CEAEHN C[C@H](COCc1ccccc1)NC[C@@](C)(O)C(F)(F)F ZINC000390634311 400540730 /nfs/dbraw/zinc/54/07/30/400540730.db2.gz CHZYGHDLQRZTSO-DGCLKSJQSA-N 0 3 291.313 2.495 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(C[C@H](O)CC(F)(F)F)C2)c1 ZINC000189220932 153086767 /nfs/dbraw/zinc/08/67/67/153086767.db2.gz HCAQTUOMLGHCIJ-VXGBXAGGSA-N 0 3 291.317 2.142 10 0 CEAEHN C[C@H]1OCCC[C@@H]1C(=O)N(CCN(C)C)C1CCCC1 ZINC000191678854 153186331 /nfs/dbraw/zinc/18/63/31/153186331.db2.gz PCNLCOKMLHYION-HIFRSBDPSA-N 0 3 282.428 2.134 10 0 CEAEHN Cc1ccc(CCC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195323625 153282357 /nfs/dbraw/zinc/28/23/57/153282357.db2.gz NLNPPRPHACLTSE-MRXNPFEDSA-N 0 3 272.392 2.234 10 0 CEAEHN OCC[C@H]1CCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000227572895 153347579 /nfs/dbraw/zinc/34/75/79/153347579.db2.gz DBVFQLIRAXLXCA-CQSZACIVSA-N 0 3 271.364 2.077 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCC[C@@H](C)O)c1C ZINC000228028456 153353678 /nfs/dbraw/zinc/35/36/78/153353678.db2.gz IBTJYUKCKHCEJF-MNOVXSKESA-N 0 3 253.390 2.331 10 0 CEAEHN C[C@@H](CC1CCCC1)c1nc([C@@H]2CNCCN2C)no1 ZINC000263166146 154029178 /nfs/dbraw/zinc/02/91/78/154029178.db2.gz FFDCCQMKOORAFX-AAEUAGOBSA-N 0 3 278.400 2.330 10 0 CEAEHN CC[C@H](OC1CCCC1)c1nc([C@@H]2CNCCN2C)no1 ZINC000263221682 154039318 /nfs/dbraw/zinc/03/93/18/154039318.db2.gz LZDMKJSIIMOOEN-STQMWFEESA-N 0 3 294.399 2.056 10 0 CEAEHN C[C@@H]1CCC[C@H](CN2CCC([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524421 154116253 /nfs/dbraw/zinc/11/62/53/154116253.db2.gz SPEXVVXINZSDJD-KGLIPLIRSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@H]1CCC[C@H](CN2CCC([N@@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524421 154116256 /nfs/dbraw/zinc/11/62/56/154116256.db2.gz SPEXVVXINZSDJD-KGLIPLIRSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@H]1CCC[C@H](C[NH+]2CCC(N(C)CC(=O)[O-])CC2)C1 ZINC000263524421 154116258 /nfs/dbraw/zinc/11/62/58/154116258.db2.gz SPEXVVXINZSDJD-KGLIPLIRSA-N 0 3 282.428 2.294 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1c1nc(C2CC2)ns1 ZINC000301966783 154181974 /nfs/dbraw/zinc/18/19/74/154181974.db2.gz VQNQMBPMPKSCJX-VXGBXAGGSA-N 0 3 278.425 2.479 10 0 CEAEHN COCCC[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000182274692 292381771 /nfs/dbraw/zinc/38/17/71/292381771.db2.gz YOZUBPIUXMRZDD-HOCLYGCPSA-N 0 3 292.423 2.468 10 0 CEAEHN C[C@@H](N)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000237331056 286907596 /nfs/dbraw/zinc/90/75/96/286907596.db2.gz XQNIQKUXMIHCDG-SNVBAGLBSA-N 0 3 276.336 2.404 10 0 CEAEHN CCSCC[C@@H](C)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000173623331 165077542 /nfs/dbraw/zinc/07/75/42/165077542.db2.gz ZAXKFKIWQGYSFO-CHWSQXEVSA-N 0 3 285.457 2.008 10 0 CEAEHN Clc1ccccc1CCN1CC[C@H](N2CCOCC2)C1 ZINC000173935921 165092442 /nfs/dbraw/zinc/09/24/42/165092442.db2.gz OXAGGCZZTJYOQQ-HNNXBMFYSA-N 0 3 294.826 2.289 10 0 CEAEHN CCc1nc(NC(=O)N2CCN3CCC[C@H]3C2)sc1C ZINC000174349169 165102482 /nfs/dbraw/zinc/10/24/82/165102482.db2.gz ZPENAGYTZFMUQB-NSHDSACASA-N 0 3 294.424 2.326 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nc(-c2ccoc2)no1 ZINC000175342853 165134286 /nfs/dbraw/zinc/13/42/86/165134286.db2.gz LPGLDJCSVLBACX-CYBMUJFWSA-N 0 3 290.367 2.246 10 0 CEAEHN CCCn1nccc1NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000176278091 165160418 /nfs/dbraw/zinc/16/04/18/165160418.db2.gz LJCKDPQENUIVLD-ZDUSSCGKSA-N 0 3 293.415 2.241 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CC[C@@H]1CCCCO1 ZINC000177024048 165184717 /nfs/dbraw/zinc/18/47/17/165184717.db2.gz MATWUDMSMRSQHL-GJZGRUSLSA-N 0 3 282.428 2.278 10 0 CEAEHN CCn1nc(C)c(NC(=O)N[C@@H]2CCCN(CC)C2)c1C ZINC000179538974 165284929 /nfs/dbraw/zinc/28/49/29/165284929.db2.gz FPKRIDZVEREFBK-CYBMUJFWSA-N 0 3 293.415 2.126 10 0 CEAEHN CCN1CCC[C@@H](NC(=S)Nc2ccccc2)C1 ZINC000004774216 170014967 /nfs/dbraw/zinc/01/49/67/170014967.db2.gz WDGSTMYQKKBSCO-CYBMUJFWSA-N 0 3 263.410 2.457 10 0 CEAEHN Cc1ccc(S(=O)(=O)NC2CCN(C(C)C)CC2)cc1 ZINC000014252476 170628971 /nfs/dbraw/zinc/62/89/71/170628971.db2.gz FPOPXDCFPBRICB-UHFFFAOYSA-N 0 3 296.436 2.146 10 0 CEAEHN CC(=O)Nc1cccc(NC(=O)c2cccc(CN)c2)c1 ZINC000019506455 170818572 /nfs/dbraw/zinc/81/85/72/170818572.db2.gz OZTUFEAMPQOKGD-UHFFFAOYSA-N 0 3 283.331 2.356 10 0 CEAEHN NC[C@@H](c1ccccc1Cl)N1CCSCC1 ZINC000020257093 171111487 /nfs/dbraw/zinc/11/14/87/171111487.db2.gz RJHFPKYMNFDIIM-LBPRGKRZSA-N 0 3 256.802 2.389 10 0 CEAEHN CC[C@H](C)NC(=O)[C@H](C)NCCc1ccc(OC)cc1 ZINC000020364311 171163278 /nfs/dbraw/zinc/16/32/78/171163278.db2.gz KUOUCYDEYRDUDK-STQMWFEESA-N 0 3 278.396 2.131 10 0 CEAEHN CCCCNC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)N ZINC000020419432 171184232 /nfs/dbraw/zinc/18/42/32/171184232.db2.gz UBRXHDOVQAESCQ-VXGBXAGGSA-N 0 3 264.369 2.390 10 0 CEAEHN S=C1N=NCN1C1CCN(Cc2ccccc2)CC1 ZINC000020583243 171257764 /nfs/dbraw/zinc/25/77/64/171257764.db2.gz IVPALUTUPRYAAQ-UHFFFAOYSA-N 0 3 274.393 2.404 10 0 CEAEHN C[C@H](OCc1ccco1)C(=O)Nc1ccccc1CN ZINC000022211372 171373363 /nfs/dbraw/zinc/37/33/63/171373363.db2.gz FFJNGFRCPHVQGQ-NSHDSACASA-N 0 3 274.320 2.282 10 0 CEAEHN CC(C)CNC(=O)CN[C@H]1CCCc2ccccc21 ZINC000035179184 172032503 /nfs/dbraw/zinc/03/25/03/172032503.db2.gz OTHIMNVVCWPJJM-HNNXBMFYSA-N 0 3 260.381 2.426 10 0 CEAEHN CC(C)CNC(=O)[C@H](C)N[C@H]1CCc2ccccc21 ZINC000035180616 172034131 /nfs/dbraw/zinc/03/41/31/172034131.db2.gz BBXIMHIPCQZANR-WFASDCNBSA-N 0 3 260.381 2.424 10 0 CEAEHN CCN(CC)c1nc2sccn2c1CNC1CC1 ZINC000035429575 172197571 /nfs/dbraw/zinc/19/75/71/172197571.db2.gz LTNKWLNHLWLQEB-UHFFFAOYSA-N 0 3 264.398 2.494 10 0 CEAEHN c1cn2c(CNC3CC3)c(N3CCSCC3)nc2s1 ZINC000035429999 172197962 /nfs/dbraw/zinc/19/79/62/172197962.db2.gz XEYZBXKVJDQATQ-UHFFFAOYSA-N 0 3 294.449 2.201 10 0 CEAEHN CC[C@H](C)N(CC)c1nc2sccn2c1CN ZINC000035430240 172198911 /nfs/dbraw/zinc/19/89/11/172198911.db2.gz XMXCWRREVARYKL-VIFPVBQESA-N 0 3 252.387 2.479 10 0 CEAEHN CN[C@@H](c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000035500620 172234757 /nfs/dbraw/zinc/23/47/57/172234757.db2.gz USQXCUJKHXRIPX-AWEZNQCLSA-N 0 3 254.289 2.430 10 0 CEAEHN CCCNS(=O)(=O)c1cccc([C@H](C)NCC)c1 ZINC000035632730 172315791 /nfs/dbraw/zinc/31/57/91/172315791.db2.gz WHJWEVSLGITJTG-NSHDSACASA-N 0 3 270.398 2.045 10 0 CEAEHN C[C@@H]1CS(=O)(=O)c2ccc(C(C)(C)C)cc2[C@H]1N ZINC000035755769 172396467 /nfs/dbraw/zinc/39/64/67/172396467.db2.gz SMXCFSTYSGJFKG-RNCFNFMXSA-N 0 3 267.394 2.407 10 0 CEAEHN CN[C@@H]1CCCS(=O)(=O)c2c(Cl)cccc21 ZINC000035761219 172399153 /nfs/dbraw/zinc/39/91/53/172399153.db2.gz FYEIHYXEGQDZLN-SNVBAGLBSA-N 0 3 259.758 2.168 10 0 CEAEHN CCN[C@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@H]1C ZINC000035760913 172399205 /nfs/dbraw/zinc/39/92/05/172399205.db2.gz CFGLDJRGASSOOT-PRHODGIISA-N 0 3 273.785 2.414 10 0 CEAEHN CCN[C@H]1c2cccc(Cl)c2S(=O)(=O)C[C@@H]1C ZINC000035761263 172399394 /nfs/dbraw/zinc/39/93/94/172399394.db2.gz ULFOTONYNSPVCY-GZMMTYOYSA-N 0 3 273.785 2.414 10 0 CEAEHN CC[C@@H]1C[C@@H](C(=O)N[C@H](CC(C)C)CN(C)C)CCO1 ZINC000248535841 287273449 /nfs/dbraw/zinc/27/34/49/287273449.db2.gz GQEPVXRANJYIOO-RRFJBIMHSA-N 0 3 284.444 2.284 10 0 CEAEHN CNCC(=O)Nc1c2ncsc2ccc1Cl ZINC000037008179 172866093 /nfs/dbraw/zinc/86/60/93/172866093.db2.gz KHCISSMWRSKJQZ-UHFFFAOYSA-N 0 3 255.730 2.108 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000037032611 172899668 /nfs/dbraw/zinc/89/96/68/172899668.db2.gz VSICZIQIUDOUEL-BXKDBHETSA-N 0 3 268.332 2.139 10 0 CEAEHN CNC(=O)CN[C@H](Cc1cccs1)c1cccs1 ZINC000037254200 173065682 /nfs/dbraw/zinc/06/56/82/173065682.db2.gz SRBXINDDBKTLOK-LLVKDONJSA-N 0 3 280.418 2.429 10 0 CEAEHN COC(=O)C[C@@H](N)c1cc(Cl)c2c(c1)OCCCO2 ZINC000037324580 173125875 /nfs/dbraw/zinc/12/58/75/173125875.db2.gz DTEMPMJRTOFGCM-SNVBAGLBSA-N 0 3 285.727 2.064 10 0 CEAEHN C[C@H](NCc1cccs1)C(=O)N1CCCCC1 ZINC000037466964 173226884 /nfs/dbraw/zinc/22/68/84/173226884.db2.gz VVYGVEPMJWPXES-NSHDSACASA-N 0 3 252.383 2.239 10 0 CEAEHN O=C(CNC1CC1)N(Cc1ccccc1)CC(F)(F)F ZINC000037495961 173235333 /nfs/dbraw/zinc/23/53/33/173235333.db2.gz BUZLCGISJMJAAI-UHFFFAOYSA-N 0 3 286.297 2.330 10 0 CEAEHN CCn1c(CNC2CCC(O)CC2)nc2ccccc21 ZINC000038046592 174055395 /nfs/dbraw/zinc/05/53/95/174055395.db2.gz XRLBLROCHSYNKO-UHFFFAOYSA-N 0 3 273.380 2.449 10 0 CEAEHN CCN(CC)CCNCc1nc2ccccc2n1CC ZINC000038046594 174055437 /nfs/dbraw/zinc/05/54/37/174055437.db2.gz RADUNSFZSURVHX-UHFFFAOYSA-N 0 3 274.412 2.488 10 0 CEAEHN C[C@H](NCC[C@@H]1CCCO1)C(=O)Nc1ccccc1 ZINC000038097357 174111282 /nfs/dbraw/zinc/11/12/82/174111282.db2.gz FEDLPFLXYZEFGV-JSGCOSHPSA-N 0 3 262.353 2.172 10 0 CEAEHN N[C@@H]1c2cc(Br)ccc2CCC[C@@H]1O ZINC000039941521 174175706 /nfs/dbraw/zinc/17/57/06/174175706.db2.gz BZTCUTHVQHKBPV-WDEREUQCSA-N 0 3 256.143 2.146 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000040468349 174276843 /nfs/dbraw/zinc/27/68/43/174276843.db2.gz BBNTZLHLGKGKKT-GAFUQQFSSA-N 0 3 265.357 2.020 10 0 CEAEHN Cc1cc(C)c(CN)c(Oc2ccccc2C(N)=O)n1 ZINC000040509661 174304206 /nfs/dbraw/zinc/30/42/06/174304206.db2.gz UWOBRGBNDJLYLS-UHFFFAOYSA-N 0 3 271.320 2.048 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)[C@@H](N)CC(C)C)s1 ZINC000040519049 174308492 /nfs/dbraw/zinc/30/84/92/174308492.db2.gz NEGDLFVDFPDMOG-ONGXEEELSA-N 0 3 269.414 2.311 10 0 CEAEHN CC(C)(C)[C@H](N)C(=O)NCc1cc2c(s1)CCC2 ZINC000040627907 174357021 /nfs/dbraw/zinc/35/70/21/174357021.db2.gz NMTYUAFVLFZAFS-GFCCVEGCSA-N 0 3 266.410 2.226 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000040629718 174358005 /nfs/dbraw/zinc/35/80/05/174358005.db2.gz PZWDJMGNFUWRCE-IUODEOHRSA-N 0 3 270.332 2.155 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000040631284 174358540 /nfs/dbraw/zinc/35/85/40/174358540.db2.gz QUQFNSIAIINQRD-KBPBESRZSA-N 0 3 262.353 2.125 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc3ccccc3c2)C1 ZINC000040632817 174359156 /nfs/dbraw/zinc/35/91/56/174359156.db2.gz CXHJWEJTUKVPOR-CABCVRRESA-N 0 3 270.332 2.155 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3ccc(F)cc3)c[nH]2)C1 ZINC000040637654 174361694 /nfs/dbraw/zinc/36/16/94/174361694.db2.gz RHFGIMIKHWIFOE-RYUDHWBXSA-N 0 3 261.300 2.265 10 0 CEAEHN COc1ccc(C)cc1-c1c[nH]c([C@H]2C[C@@H](OC)CN2)n1 ZINC000040637858 174361858 /nfs/dbraw/zinc/36/18/58/174361858.db2.gz BAVDSWXRZJJUBU-DGCLKSJQSA-N 0 3 287.363 2.443 10 0 CEAEHN Cn1ccc(N[C@@H]2CCN(CCc3ccccc3)C2)n1 ZINC000040671468 174369200 /nfs/dbraw/zinc/36/92/00/174369200.db2.gz HUPHRDDSGZQLQP-OAHLLOKOSA-N 0 3 270.380 2.149 10 0 CEAEHN Cc1n[nH]cc1CN[C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671496 174369775 /nfs/dbraw/zinc/36/97/75/174369775.db2.gz ZCWVCHGSOFZWSP-QGZVFWFLSA-N 0 3 284.407 2.125 10 0 CEAEHN Cc1nnc(N[C@H]2CCCN(C)C2)c2ccccc12 ZINC000040673446 174372492 /nfs/dbraw/zinc/37/24/92/174372492.db2.gz AQGSAJUEDQMGMD-LBPRGKRZSA-N 0 3 256.353 2.444 10 0 CEAEHN Cc1nn([C@@H]2COc3ccccc3[C@H]2N)c(C)c1C ZINC000040729835 174388365 /nfs/dbraw/zinc/38/83/65/174388365.db2.gz FAKCXUPJEMFVNN-UKRRQHHQSA-N 0 3 257.337 2.442 10 0 CEAEHN CCNCc1cnn(-c2ccc(C(F)(F)F)cn2)c1 ZINC000040932415 174436263 /nfs/dbraw/zinc/43/62/63/174436263.db2.gz ZRDLBSPFMDLBEL-UHFFFAOYSA-N 0 3 270.258 2.396 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000401861292 414755464 /nfs/dbraw/zinc/75/54/64/414755464.db2.gz ZCFZPOMDAJCHLW-MCIONIFRSA-N 0 3 253.386 2.181 10 0 CEAEHN Fc1ccc(CN2CC[C@H]3OCCN[C@H]3C2)cc1Cl ZINC000404253516 414777916 /nfs/dbraw/zinc/77/79/16/414777916.db2.gz KNJNNGNZBPWBBA-UONOGXRCSA-N 0 3 284.762 2.042 10 0 CEAEHN CCNCc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000041157481 174500980 /nfs/dbraw/zinc/50/09/80/174500980.db2.gz LYWMXQABXXTJKB-GJZGRUSLSA-N 0 3 284.359 2.252 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400141685 414747670 /nfs/dbraw/zinc/74/76/70/414747670.db2.gz IGRQEJJPPSOMHL-CLRIEMFWSA-N 0 3 252.402 2.302 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@@H](CN)C(F)(F)F)sc1C ZINC000662975672 414815288 /nfs/dbraw/zinc/81/52/88/414815288.db2.gz JZFJMSKDVYWROF-VIFPVBQESA-N 0 3 280.315 2.327 10 0 CEAEHN CN(C(=O)c1ccc(Cl)cc1F)[C@H](CN)C(F)(F)F ZINC000662976563 414816342 /nfs/dbraw/zinc/81/63/42/414816342.db2.gz GRKLGTJZKSDENR-SECBINFHSA-N 0 3 298.667 2.441 10 0 CEAEHN Cc1ccccc1CCC(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662980568 414816997 /nfs/dbraw/zinc/81/69/97/414816997.db2.gz QDINUHMTKVEQGM-LBPRGKRZSA-N 0 3 288.313 2.276 10 0 CEAEHN CN(C(=O)c1cc2ccccc2[nH]1)[C@@H](CN)C(F)(F)F ZINC000662986280 414818333 /nfs/dbraw/zinc/81/83/33/414818333.db2.gz KQINACBSQZJBCQ-NSHDSACASA-N 0 3 285.269 2.130 10 0 CEAEHN CNc1ccccc1C(=O)N(CCN(C)C)CC(C)C ZINC000042032881 174633723 /nfs/dbraw/zinc/63/37/23/174633723.db2.gz HIHHBUDQTMBQFC-UHFFFAOYSA-N 0 3 277.412 2.388 10 0 CEAEHN COCCN(c1cccc(Cl)c1CN)[C@@H](C)COC ZINC000042609271 174822315 /nfs/dbraw/zinc/82/23/15/174822315.db2.gz YCHGGOMJWNEZPE-NSHDSACASA-N 0 3 286.803 2.286 10 0 CEAEHN COc1c(CNC[C@H](OC)C2CCCC2)c(C)nn1C ZINC000657767708 415074808 /nfs/dbraw/zinc/07/48/08/415074808.db2.gz PLITYYVFIKDGJQ-AWEZNQCLSA-N 0 3 281.400 2.032 10 0 CEAEHN N[C@@H]1c2ccccc2OC[C@H]1N(CC(F)(F)F)C1CC1 ZINC000042748990 174866621 /nfs/dbraw/zinc/86/66/21/174866621.db2.gz RXHWIMWKNGMLII-DGCLKSJQSA-N 0 3 286.297 2.474 10 0 CEAEHN CCN(CC)C(=O)CN(C)[C@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042909324 174909896 /nfs/dbraw/zinc/90/98/96/174909896.db2.gz NIPLTYHJUKWJNO-PBHICJAKSA-N 0 3 291.439 2.184 10 0 CEAEHN Cc1ccc([C@H]([C@@H](C)N)N(CC(N)=O)C2CCCC2)s1 ZINC000043242800 174989744 /nfs/dbraw/zinc/98/97/44/174989744.db2.gz WQISUOUWERCLHU-ABAIWWIYSA-N 0 3 295.452 2.175 10 0 CEAEHN C[C@H](N)[C@H](c1ccccn1)N(CC(F)(F)F)C1CC1 ZINC000043341181 175015390 /nfs/dbraw/zinc/01/53/90/175015390.db2.gz HCZATDYWNLTTID-JOYOIKCWSA-N 0 3 273.302 2.497 10 0 CEAEHN CC(=O)Nc1ccccc1O[C@@H](CN)c1cccnc1 ZINC000043349937 175019179 /nfs/dbraw/zinc/01/91/79/175019179.db2.gz OCMKTGAXWSZQAG-HNNXBMFYSA-N 0 3 271.320 2.119 10 0 CEAEHN NC[C@H](c1ccncc1)N(CC(F)(F)F)C1CC1 ZINC000043354823 175021984 /nfs/dbraw/zinc/02/19/84/175021984.db2.gz VHYVVVWFHJFQGB-LLVKDONJSA-N 0 3 259.275 2.108 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N1CCOC[C@@H]1C ZINC000043364176 175024724 /nfs/dbraw/zinc/02/47/24/175024724.db2.gz YFYZDLWKUVLLJN-JKOKRWQUSA-N 0 3 252.358 2.087 10 0 CEAEHN Cc1ccc([C@H]([C@H](C)N)N(C)CC(F)(F)F)o1 ZINC000043364515 175025368 /nfs/dbraw/zinc/02/53/68/175025368.db2.gz QGKQUQYIWJXEPX-WPRPVWTQSA-N 0 3 250.264 2.470 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1cc(C)cc(C)c1 ZINC000043394194 175034742 /nfs/dbraw/zinc/03/47/42/175034742.db2.gz YOAANWQHGWGEGJ-CVEARBPZSA-N 0 3 262.397 2.414 10 0 CEAEHN Cc1cc(C)cc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000043393798 175035263 /nfs/dbraw/zinc/03/52/63/175035263.db2.gz ZVRCZKSRRYWBCB-LZWOXQAQSA-N 0 3 262.397 2.412 10 0 CEAEHN CN[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000043811290 175110286 /nfs/dbraw/zinc/11/02/86/175110286.db2.gz WJHHLMJMXVRNBD-GUTXKFCHSA-N 0 3 278.396 2.065 10 0 CEAEHN CCN[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000043811489 175111189 /nfs/dbraw/zinc/11/11/89/175111189.db2.gz NUSHSYIPMFFQJB-LZWOXQAQSA-N 0 3 292.423 2.455 10 0 CEAEHN CCCN(C)C[C@@H](NC)c1ccc2c(c1)OCCO2 ZINC000043885886 175117004 /nfs/dbraw/zinc/11/70/04/175117004.db2.gz SJQDYNSBLKWBGC-CYBMUJFWSA-N 0 3 264.369 2.060 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N1CCOC(C)(C)C1 ZINC000043897923 175120601 /nfs/dbraw/zinc/12/06/01/175120601.db2.gz OZBBHTATHIJUDM-GOEBONIOSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](CN(C)C1CCOCC1)c1cc(C)ccc1OC ZINC000043898241 175121557 /nfs/dbraw/zinc/12/15/57/175121557.db2.gz SNNCPFKQOAHAHU-INIZCTEOSA-N 0 3 292.423 2.375 10 0 CEAEHN CN[C@H](CN(C)CC(F)(F)F)c1cccc(OC)c1 ZINC000043900600 175122081 /nfs/dbraw/zinc/12/20/81/175122081.db2.gz OQNSZAABBSYADV-GFCCVEGCSA-N 0 3 276.302 2.450 10 0 CEAEHN CN[C@H](CN(C)C[C@@H]1CCCO1)c1ccc(OC)cc1 ZINC000043965835 175127151 /nfs/dbraw/zinc/12/71/51/175127151.db2.gz ZICIGXOBJXALBV-JKSUJKDBSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@H]1c2ccccc2OC[C@H]1N(CC)CCOC ZINC000043968810 175129945 /nfs/dbraw/zinc/12/99/45/175129945.db2.gz YIPPNSOTHRWNFY-WBVHZDCISA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N(CCOC)C1CC1 ZINC000043970012 175131572 /nfs/dbraw/zinc/13/15/72/175131572.db2.gz WBFJOFAVGRMQJD-DOTOQJQBSA-N 0 3 290.407 2.209 10 0 CEAEHN CCCNC(=O)CCNCc1c(C)nc2scc(C)n12 ZINC000045072697 175301675 /nfs/dbraw/zinc/30/16/75/175301675.db2.gz NRDPZHLIECVNGQ-UHFFFAOYSA-N 0 3 294.424 2.019 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)NCCOCCC(C)C ZINC000045106869 175308200 /nfs/dbraw/zinc/30/82/00/175308200.db2.gz NRCLKOFSCVYILD-CYBMUJFWSA-N 0 3 272.433 2.332 10 0 CEAEHN COc1nc(N(C)C)sc1CN[C@@H]1CC1(C)C ZINC000045117115 175311429 /nfs/dbraw/zinc/31/14/29/175311429.db2.gz SPAHEEMHLDXXEM-SECBINFHSA-N 0 3 255.387 2.106 10 0 CEAEHN CC(C)C[C@@H]1CSC(NCc2cnn(C)c2)=N1 ZINC000045136098 175313421 /nfs/dbraw/zinc/31/34/21/175313421.db2.gz YAIQIGHJQFEPSE-LLVKDONJSA-N 0 3 252.387 2.027 10 0 CEAEHN CN[C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138142 175314746 /nfs/dbraw/zinc/31/47/46/175314746.db2.gz VCVGZIUKYQPSCO-GXFFZTMASA-N 0 3 282.409 2.044 10 0 CEAEHN CCCCN(C)C[C@](NCC)(C(=O)OC)c1ccccc1 ZINC000045221925 175330811 /nfs/dbraw/zinc/33/08/11/175330811.db2.gz KLVNYNJPEZQCQZ-QGZVFWFLSA-N 0 3 292.423 2.396 10 0 CEAEHN CCCN[C@@](C)(CCN1CCC(C)CC1)C(=O)OCC ZINC000045225563 175332594 /nfs/dbraw/zinc/33/25/94/175332594.db2.gz RFMQHGRBVNYSQK-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCOC(=O)[C@](C)(CCN1CCC(C)CC1)NC1CC1 ZINC000045225600 175333052 /nfs/dbraw/zinc/33/30/52/175333052.db2.gz WNHZAAUEZSFTFR-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CC(C)[NH2+][C@](C)(CCN1CCCCCC1)C(=O)[O-] ZINC000045228847 175334016 /nfs/dbraw/zinc/33/40/16/175334016.db2.gz LRZGKQZBUNTULZ-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CN[C@](CN1CCCCCC1)(C(=O)OC)c1ccccc1 ZINC000045228677 175334217 /nfs/dbraw/zinc/33/42/17/175334217.db2.gz UZIBNHANKOYSPS-KRWDZBQOSA-N 0 3 290.407 2.150 10 0 CEAEHN C[N@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C1CCCCC1 ZINC000045231237 175334555 /nfs/dbraw/zinc/33/45/55/175334555.db2.gz SHICIAIPJPNFBO-OAHLLOKOSA-N 0 3 268.401 2.236 10 0 CEAEHN C[N@@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C1CCCCC1 ZINC000045231237 175334556 /nfs/dbraw/zinc/33/45/56/175334556.db2.gz SHICIAIPJPNFBO-OAHLLOKOSA-N 0 3 268.401 2.236 10 0 CEAEHN CCN[C@](CN(C)CC(C)C)(C(=O)OC)c1ccccc1 ZINC000045263463 175337463 /nfs/dbraw/zinc/33/74/63/175337463.db2.gz KAIWODNOHMZWET-KRWDZBQOSA-N 0 3 292.423 2.252 10 0 CEAEHN CCCN[C@@](CN(CC)C(C)C)(C(N)=O)c1ccccc1 ZINC000045265421 175338237 /nfs/dbraw/zinc/33/82/37/175338237.db2.gz UBZVVVKOKMXKDO-QGZVFWFLSA-N 0 3 291.439 2.097 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045266518 175339162 /nfs/dbraw/zinc/33/91/62/175339162.db2.gz FDDKHTORIQEKAH-GXTWGEPZSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045266518 175339163 /nfs/dbraw/zinc/33/91/63/175339163.db2.gz FDDKHTORIQEKAH-GXTWGEPZSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(CC)[C@@H](C)CC)C(=O)[O-] ZINC000045266518 175339165 /nfs/dbraw/zinc/33/91/65/175339165.db2.gz FDDKHTORIQEKAH-GXTWGEPZSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN(CC)C[C@](N)(C(=O)OCC)c1ccccc1 ZINC000045267428 175340244 /nfs/dbraw/zinc/34/02/44/175340244.db2.gz BASVZYWXZWZTTG-MRXNPFEDSA-N 0 3 278.396 2.136 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)C[C@@H](C)CC)NC1CC1 ZINC000045268409 175340769 /nfs/dbraw/zinc/34/07/69/175340769.db2.gz KHMJMDOWUUAJKS-WFASDCNBSA-N 0 3 270.417 2.038 10 0 CEAEHN CC(C)CCN(C)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045281267 175351731 /nfs/dbraw/zinc/35/17/31/175351731.db2.gz GVEJZKXKPUKJFI-CQSZACIVSA-N 0 3 258.406 2.196 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)CC1CCCCC1)NC ZINC000045281546 175352802 /nfs/dbraw/zinc/35/28/02/175352802.db2.gz BMTXEORPRXYGAN-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN C[NH2+][C@@](C)(CCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000045378753 175368325 /nfs/dbraw/zinc/36/83/25/175368325.db2.gz MASKSWCOURWEDX-KRWDZBQOSA-N 0 3 290.407 2.278 10 0 CEAEHN CC(=O)Nc1cccc([C@@H](C)NC2CC(CO)C2)c1 ZINC000658351901 415334174 /nfs/dbraw/zinc/33/41/74/415334174.db2.gz QLYXBZSRGIBZCE-CKQAKLJMSA-N 0 3 262.353 2.067 10 0 CEAEHN CN[C@H](C)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000659358696 415537510 /nfs/dbraw/zinc/53/75/10/415537510.db2.gz KQYYRYWKUPBHFW-SSDOTTSWSA-N 0 3 261.152 2.218 10 0 CEAEHN CCN[C@H]1COc2cc(O[C@@H](C)COC)ccc21 ZINC000070375891 175899668 /nfs/dbraw/zinc/89/96/68/175899668.db2.gz GXVLKEFQFZQELG-GWCFXTLKSA-N 0 3 251.326 2.143 10 0 CEAEHN N[C@@H](Cc1ccccc1F)c1ccc2c(c1)C(=O)NCC2 ZINC000070544624 175978955 /nfs/dbraw/zinc/97/89/55/175978955.db2.gz ADVGTWCQRDCHMG-INIZCTEOSA-N 0 3 284.334 2.354 10 0 CEAEHN C[C@H](Cc1ccccc1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071031362 176022391 /nfs/dbraw/zinc/02/23/91/176022391.db2.gz SRMZUWLFRWLRNP-CZUORRHYSA-N 0 3 272.392 2.361 10 0 CEAEHN C[C@H](c1ccccc1)N1CCC[C@H](NC2CC2)C1=O ZINC000071032699 176023499 /nfs/dbraw/zinc/02/34/99/176023499.db2.gz HZSJSORIBVDVBE-DOMZBBRYSA-N 0 3 258.365 2.491 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc(Cl)cc1 ZINC000071032589 176023761 /nfs/dbraw/zinc/02/37/61/176023761.db2.gz KNJCFUBUAXQWSP-LBPRGKRZSA-N 0 3 250.729 2.197 10 0 CEAEHN CC[C@@H](c1ccccc1)N1CC[C@H](NC2CC2)C1=O ZINC000071041849 176028238 /nfs/dbraw/zinc/02/82/38/176028238.db2.gz UOXXCWHLXRNHBV-GJZGRUSLSA-N 0 3 258.365 2.491 10 0 CEAEHN CCN[C@@H]1CCCN(c2cnc3ccccc3c2)C1=O ZINC000071042719 176028594 /nfs/dbraw/zinc/02/85/94/176028594.db2.gz QUOPVXWMVZOQDU-OAHLLOKOSA-N 0 3 269.348 2.340 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1cnc2ccccc2c1 ZINC000071042711 176028629 /nfs/dbraw/zinc/02/86/29/176028629.db2.gz DUASAYPITBOLSC-OAHLLOKOSA-N 0 3 267.332 2.092 10 0 CEAEHN CC[C@@H]1CCC[C@](NCCN(CC)CC)(C(=O)OC)C1 ZINC000071125747 176035864 /nfs/dbraw/zinc/03/58/64/176035864.db2.gz OVVOSZDPKQOGQI-GDBMZVCRSA-N 0 3 284.444 2.430 10 0 CEAEHN C[C@@H]1CCC[C@@H](N2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000071148296 176043930 /nfs/dbraw/zinc/04/39/30/176043930.db2.gz SKGSLTRGDRHGNU-CHWSQXEVSA-N 0 3 283.485 2.247 10 0 CEAEHN CC(=O)c1ccc(N(C)C[C@H]2CCN(C)C2)c(F)c1 ZINC000071189369 176065048 /nfs/dbraw/zinc/06/50/48/176065048.db2.gz FHBXGKOLWAMEFE-LBPRGKRZSA-N 0 3 264.344 2.416 10 0 CEAEHN CN(C)Cc1ccccc1NCc1cccc(C(N)=O)c1 ZINC000071205026 176079623 /nfs/dbraw/zinc/07/96/23/176079623.db2.gz SAHWEUHXVPYXAB-UHFFFAOYSA-N 0 3 283.375 2.459 10 0 CEAEHN CC1CCC(CO)(NCc2cnn3ccccc23)CC1 ZINC000071373512 176139219 /nfs/dbraw/zinc/13/92/19/176139219.db2.gz WYUKNIOMAUXISL-UHFFFAOYSA-N 0 3 273.380 2.365 10 0 CEAEHN Cc1ccc(N)c(C(=O)NCCN2CCCCCC2)c1 ZINC000071383392 176146656 /nfs/dbraw/zinc/14/66/56/176146656.db2.gz YQIMFLXLIBMXPU-UHFFFAOYSA-N 0 3 275.396 2.183 10 0 CEAEHN CCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1CNC ZINC000071403676 176155371 /nfs/dbraw/zinc/15/53/71/176155371.db2.gz KBQMIUCPNDNXEI-CYBMUJFWSA-N 0 3 278.396 2.398 10 0 CEAEHN CC(C)(C)c1ccc(OCc2n[nH]c(CN)n2)cc1 ZINC000072236614 176345662 /nfs/dbraw/zinc/34/56/62/176345662.db2.gz NHNPKXGPDUVYSA-UHFFFAOYSA-N 0 3 260.341 2.140 10 0 CEAEHN CCC[C@@H]1C[C@@H]1NC(=O)c1cc2c(s1)CCNC2 ZINC000662518070 415871716 /nfs/dbraw/zinc/87/17/16/415871716.db2.gz ZGFMJAQFGXVHAF-KOLCDFICSA-N 0 3 264.394 2.312 10 0 CEAEHN CC1(C)CCN(C(=O)[C@H]2C[C@H](F)CN2)CC(C)(C)C1 ZINC000662657189 415921587 /nfs/dbraw/zinc/92/15/87/415921587.db2.gz KGZDFODFTOAUEB-NWDGAFQWSA-N 0 3 270.392 2.361 10 0 CEAEHN Cc1cc(Br)c2nc([C@@H](C)N)cn2c1 ZINC000076792251 177097154 /nfs/dbraw/zinc/09/71/54/177097154.db2.gz DJLAZUGKEAGPPN-SSDOTTSWSA-N 0 3 254.131 2.425 10 0 CEAEHN Cc1nn(C)c(Cl)c1CNC[C@@H]1CCCC[C@@H]1O ZINC000077466279 177271646 /nfs/dbraw/zinc/27/16/46/177271646.db2.gz ACSYTSQOERJAGK-JQWIXIFHSA-N 0 3 271.792 2.023 10 0 CEAEHN CSCCCNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000077569984 177281835 /nfs/dbraw/zinc/28/18/35/177281835.db2.gz QKAZSHCRNQYBKW-LBPRGKRZSA-N 0 3 275.462 2.015 10 0 CEAEHN Cc1cc2ncc(CNC[C@@]3(O)CCC[C@@H](C)C3)cn2n1 ZINC000078638674 177363581 /nfs/dbraw/zinc/36/35/81/177363581.db2.gz MASPACIYOBFFNA-MLGOLLRUSA-N 0 3 288.395 2.069 10 0 CEAEHN CCC[C@H](COC)NCC(=O)Nc1cccc(OC)c1 ZINC000079743573 177549278 /nfs/dbraw/zinc/54/92/78/177549278.db2.gz USVRCAKWDLQPRF-CYBMUJFWSA-N 0 3 280.368 2.038 10 0 CEAEHN CCC(CC)(c1ccccc1)c1nc(C[NH3+])cc(=O)[n-]1 ZINC000079939485 177583970 /nfs/dbraw/zinc/58/39/70/177583970.db2.gz XJVIYHVOYKCRRJ-UHFFFAOYSA-N 0 3 271.364 2.335 10 0 CEAEHN CCNC(=O)[C@H]1C[C@@H](c2ccc(OCC)cc2)CCN1 ZINC000080104921 177608448 /nfs/dbraw/zinc/60/84/48/177608448.db2.gz YEODRSXZDZENID-DZGCQCFKSA-N 0 3 276.380 2.057 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H](C)C[C@@H]2COCCN2)o1 ZINC000133588721 419432397 /nfs/dbraw/zinc/43/23/97/419432397.db2.gz FSTFFAXBTCQPES-KGYLQXTDSA-N 0 3 252.358 2.006 10 0 CEAEHN CC[C@H](C)N(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000080012648 287565846 /nfs/dbraw/zinc/56/58/46/287565846.db2.gz WOEWRGUGHJXFSN-QWHCGFSZSA-N 0 3 257.422 2.403 10 0 CEAEHN C[C@@H](NCCn1cncn1)c1ccc2c(c1)CCC2 ZINC000268857875 270330720 /nfs/dbraw/zinc/33/07/20/270330720.db2.gz UWUSDNYTEKQFDH-GFCCVEGCSA-N 0 3 256.353 2.118 10 0 CEAEHN Cc1nnsc1CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000311544301 270333076 /nfs/dbraw/zinc/33/30/76/270333076.db2.gz OCJBJGSPJOFZPF-XQQFMLRXSA-N 0 3 281.425 2.362 10 0 CEAEHN Cc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)c(Cl)c1 ZINC000392928458 270341507 /nfs/dbraw/zinc/34/15/07/270341507.db2.gz NQTWQJZERBWJTH-GWCFXTLKSA-N 0 3 266.772 2.405 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1ccc(F)cc1F ZINC000398966823 270364827 /nfs/dbraw/zinc/36/48/27/270364827.db2.gz RSZOKINVRHZIAX-ISVAXAHUSA-N 0 3 268.307 2.269 10 0 CEAEHN CCC[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180588525 276025736 /nfs/dbraw/zinc/02/57/36/276025736.db2.gz CWHNIJHCEMSWAY-TZMCWYRMSA-N 0 3 271.368 2.119 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1cc(Cl)cn1C)N(C)C ZINC000154042626 276037184 /nfs/dbraw/zinc/03/71/84/276037184.db2.gz QVUZCRWTTMVQIB-CYBMUJFWSA-N 0 3 285.819 2.367 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(N(C)C)c1 ZINC000177424252 276181983 /nfs/dbraw/zinc/18/19/83/276181983.db2.gz RYRPPSVVQHDSLY-INIZCTEOSA-N 0 3 289.423 2.309 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC3(CCCC3)C2)C1 ZINC000174234987 276374876 /nfs/dbraw/zinc/37/48/76/276374876.db2.gz XYJDZWGRMVDKGN-AWEZNQCLSA-N 0 3 279.428 2.446 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@H]1CCCc3occc31)CC2 ZINC000192984203 276695015 /nfs/dbraw/zinc/69/50/15/276695015.db2.gz XXHNPZDHIBNGPH-AAEUAGOBSA-N 0 3 286.379 2.416 10 0 CEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000120522368 277393875 /nfs/dbraw/zinc/39/38/75/277393875.db2.gz FKUZPPRXGRVXGS-FMKPAKJESA-N 0 3 294.439 2.228 10 0 CEAEHN CSCCCN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000069432477 278129220 /nfs/dbraw/zinc/12/92/20/278129220.db2.gz ISVGZKJRLRFBOG-LBPRGKRZSA-N 0 3 264.394 2.437 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000105872223 278376637 /nfs/dbraw/zinc/37/66/37/278376637.db2.gz UXCAVQBUGYKBKV-ZWNOBZJWSA-N 0 3 260.316 2.083 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000263523271 279059836 /nfs/dbraw/zinc/05/98/36/279059836.db2.gz SAXHASYOILMSFB-WMUDQEJXSA-N 0 3 282.428 2.338 10 0 CEAEHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCS[C@@H](C)C1 ZINC000245805160 279308108 /nfs/dbraw/zinc/30/81/08/279308108.db2.gz BYWLMHAZKHAYRT-MCIONIFRSA-N 0 3 299.484 2.254 10 0 CEAEHN CCC[C@H](C(=O)NCCCOC1CCCC1)N(C)C ZINC000126359519 279829126 /nfs/dbraw/zinc/82/91/26/279829126.db2.gz JHMBTNAQQBAAEA-CQSZACIVSA-N 0 3 270.417 2.182 10 0 CEAEHN Cc1cc(C)cc(CCC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000128436935 279887757 /nfs/dbraw/zinc/88/77/57/279887757.db2.gz JEABNBOLSRGNIB-INIZCTEOSA-N 0 3 274.408 2.399 10 0 CEAEHN CCS[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000175873634 280050136 /nfs/dbraw/zinc/05/01/36/280050136.db2.gz DCQKQHKTNLHRCN-MELADBBJSA-N 0 3 299.484 2.396 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1Cc1ccno1 ZINC000228489526 280217290 /nfs/dbraw/zinc/21/72/90/280217290.db2.gz BSAWUDZQWALPBT-HZSPNIEDSA-N 0 3 250.342 2.190 10 0 CEAEHN CCC[C@H](C(=O)N1C[C@@H]2CCCC[C@H]2C1)N(C)C ZINC000245745250 280259427 /nfs/dbraw/zinc/25/94/27/280259427.db2.gz FTWCFFJXLUKFBR-MELADBBJSA-N 0 3 252.402 2.365 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)C2(C)CC2)C1 ZINC000245876384 280263739 /nfs/dbraw/zinc/26/37/39/280263739.db2.gz INIUEDUJLPHQJJ-CHWSQXEVSA-N 0 3 267.417 2.301 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246588168 280302253 /nfs/dbraw/zinc/30/22/53/280302253.db2.gz YPTJWHDBPDEHCN-OCCSQVGLSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246588168 280302255 /nfs/dbraw/zinc/30/22/55/280302255.db2.gz YPTJWHDBPDEHCN-OCCSQVGLSA-N 0 3 276.380 2.159 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H](C)CC(C)C)C1 ZINC000246674758 280305875 /nfs/dbraw/zinc/30/58/75/280305875.db2.gz LNKOEWUJUCDTNI-OLZOCXBDSA-N 0 3 255.406 2.205 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H]2CC[C@H](C)CC2)C1 ZINC000247185307 280322374 /nfs/dbraw/zinc/32/23/74/280322374.db2.gz PWBKCDFMLAQHCQ-MGPQQGTHSA-N 0 3 267.417 2.349 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1csnc1C ZINC000182094646 288311243 /nfs/dbraw/zinc/31/12/43/288311243.db2.gz NTAVVBJURUZJLX-NWDGAFQWSA-N 0 3 279.409 2.150 10 0 CEAEHN COCCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1 ZINC000157297079 289210969 /nfs/dbraw/zinc/21/09/69/289210969.db2.gz CGERPRMZEAPFLC-ZIAGYGMSSA-N 0 3 278.396 2.187 10 0 CEAEHN CN1CCNC[C@@H]1c1noc([C@H]2C[C@H]2C2CCCCC2)n1 ZINC000263214946 290062476 /nfs/dbraw/zinc/06/24/76/290062476.db2.gz KSNATWZBFPIXRV-MELADBBJSA-N 0 3 290.411 2.330 10 0 CEAEHN CC(C)CCCOC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069195778 519642774 /nfs/dbraw/zinc/64/27/74/519642774.db2.gz ACCMZZRASOEOIB-OAHLLOKOSA-N 0 3 270.417 2.071 10 0 CEAEHN CCNC(C)(C)C(=O)N(C)c1ccccc1OC ZINC000061299308 519903192 /nfs/dbraw/zinc/90/31/92/519903192.db2.gz INJWRWOTMLUDTN-UHFFFAOYSA-N 0 3 250.342 2.046 10 0 CEAEHN CCNCc1cnc(N2C[C@H](C)OC[C@@H]2CC)s1 ZINC000054908776 520019105 /nfs/dbraw/zinc/01/91/05/520019105.db2.gz OCFJWISHHRJBCW-QWRGUYRKSA-N 0 3 269.414 2.256 10 0 CEAEHN CCCN[C@@H]1c2ccccc2CC[C@H]1S(C)(=O)=O ZINC000054930626 520029341 /nfs/dbraw/zinc/02/93/41/520029341.db2.gz QLFALHQEBYKJSA-ZIAGYGMSSA-N 0 3 267.394 2.087 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OC[C@@H](O)COC ZINC000069053939 520065346 /nfs/dbraw/zinc/06/53/46/520065346.db2.gz SAXFQICRCQNPSB-YPMHNXCESA-N 0 3 285.359 2.272 10 0 CEAEHN CCCN[C@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062522644 520071111 /nfs/dbraw/zinc/07/11/11/520071111.db2.gz OTQRCGXOWFKJMM-BFHYXJOUSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@H](CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062522644 520071117 /nfs/dbraw/zinc/07/11/17/520071117.db2.gz OTQRCGXOWFKJMM-BFHYXJOUSA-N 0 3 270.417 2.340 10 0 CEAEHN CCN(CC[C@H](NC(C)C)C(N)=O)c1ccccc1C ZINC000062438008 521158536 /nfs/dbraw/zinc/15/85/36/521158536.db2.gz WBMUVHQQAXZPBO-AWEZNQCLSA-N 0 3 277.412 2.063 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCC(C(C)(C)C)CC1)NC ZINC000062530525 521242371 /nfs/dbraw/zinc/24/23/71/521242371.db2.gz XDTVWDBNODWSGY-AWEZNQCLSA-N 0 3 284.444 2.286 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1cc(F)ccc1N ZINC000069428186 521300404 /nfs/dbraw/zinc/30/04/04/521300404.db2.gz IYKNOEFYZMOUAW-UHFFFAOYSA-N 0 3 267.348 2.467 10 0 CEAEHN CCN1CCN(Cc2ccc(CNC(C)(C)C)o2)CC1 ZINC000052422335 521687575 /nfs/dbraw/zinc/68/75/75/521687575.db2.gz MWSRMFXLBKSTCU-UHFFFAOYSA-N 0 3 279.428 2.305 10 0 CEAEHN COCC[C@@H](N)C(=O)Nc1c2ncsc2ccc1Cl ZINC000052791890 521824884 /nfs/dbraw/zinc/82/48/84/521824884.db2.gz SYCSSTOSHVIYPA-MRVPVSSYSA-N 0 3 299.783 2.252 10 0 CEAEHN CC(C)(C)NCc1nccn1CCOC(F)(F)F ZINC000089055954 517378889 /nfs/dbraw/zinc/37/88/89/517378889.db2.gz NVYCNMUHFGPHPF-UHFFFAOYSA-N 0 3 265.279 2.308 10 0 CEAEHN CC(C)(C)NCc1cc(Cl)ccc1OCCC(N)=O ZINC000062730786 518763746 /nfs/dbraw/zinc/76/37/46/518763746.db2.gz FBDJGSWJGSZPOD-UHFFFAOYSA-N 0 3 284.787 2.482 10 0 CEAEHN CC(C)C[C@H](N)C(=O)Nc1ccccc1[C@H](C)O ZINC000049547309 519369553 /nfs/dbraw/zinc/36/95/53/519369553.db2.gz PXKMUQFZQUUPNF-JQWIXIFHSA-N 0 3 250.342 2.052 10 0 CEAEHN CC(C)N1C(=O)CC[C@H](N)[C@H]1c1ccc(F)cc1 ZINC000062211483 519665174 /nfs/dbraw/zinc/66/51/74/519665174.db2.gz XGDYPCLRHAKHAG-GXTWGEPZSA-N 0 3 250.317 2.225 10 0 CEAEHN CC(C)NCc1ccc(N2Cc3ccccc3C2)nn1 ZINC000051398582 519726961 /nfs/dbraw/zinc/72/69/61/519726961.db2.gz PPYMNFONYCQIBM-UHFFFAOYSA-N 0 3 268.364 2.495 10 0 CEAEHN CC(C)NCc1ccoc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000052380298 519727725 /nfs/dbraw/zinc/72/77/25/519727725.db2.gz ZMOWKYPVMLYMJN-CHWSQXEVSA-N 0 3 266.385 2.387 10 0 CEAEHN CC(C)CN1CCN([C@H](CN)c2c(F)cccc2F)CC1 ZINC000055078565 519728007 /nfs/dbraw/zinc/72/80/07/519728007.db2.gz ZYWMIKJLSUDAKR-OAHLLOKOSA-N 0 3 297.393 2.238 10 0 CEAEHN CC(C)N[C@@](C)(CO[C@@H]1CCCc2ccccc21)C(N)=O ZINC000045502464 519736185 /nfs/dbraw/zinc/73/61/85/519736185.db2.gz LYYNNYDDRFCMKF-WBVHZDCISA-N 0 3 290.407 2.323 10 0 CEAEHN CC(C)[NH2+][C@@](C)(C[C@@H](C)N(CC1CC1)C1CC1)C(=O)[O-] ZINC000068648340 519736353 /nfs/dbraw/zinc/73/63/53/519736353.db2.gz JOEULPCRHBEOIH-WBMJQRKESA-N 0 3 282.428 2.481 10 0 CEAEHN CC(C)N[C@@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648340 519736356 /nfs/dbraw/zinc/73/63/56/519736356.db2.gz JOEULPCRHBEOIH-WBMJQRKESA-N 0 3 282.428 2.481 10 0 CEAEHN CC(C)N[C@@](C)(C[C@@H](C)[N@@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648340 519736357 /nfs/dbraw/zinc/73/63/57/519736357.db2.gz JOEULPCRHBEOIH-WBMJQRKESA-N 0 3 282.428 2.481 10 0 CEAEHN CC(C)[NH2+][C@H](CCN1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000062530962 519738465 /nfs/dbraw/zinc/73/84/65/519738465.db2.gz BATMTDIGWRVEKV-JKSUJKDBSA-N 0 3 290.407 2.317 10 0 CEAEHN CC(C)N[C@](CSCc1ccco1)(C(N)=O)C1CC1 ZINC000069184289 519741070 /nfs/dbraw/zinc/74/10/70/519741070.db2.gz NIDODLFDESRIQE-AWEZNQCLSA-N 0 3 282.409 2.145 10 0 CEAEHN CC(C)Oc1cccc(C(=O)N2[C@H](C)CNC[C@@H]2C)c1 ZINC000069132905 519782443 /nfs/dbraw/zinc/78/24/43/519782443.db2.gz HAPSZTVDOFGSGL-BETUJISGSA-N 0 3 276.380 2.296 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(Cl)c(N)c1 ZINC000049191822 519793372 /nfs/dbraw/zinc/79/33/72/519793372.db2.gz QHOBTISYFRNZKU-CYBMUJFWSA-N 0 3 283.803 2.238 10 0 CEAEHN CCCN1CCC(O)(c2ccc(OC)c(OC)c2)CC1 ZINC000055192488 519847945 /nfs/dbraw/zinc/84/79/45/519847945.db2.gz MEMXEGQZTVFCJX-UHFFFAOYSA-N 0 3 279.380 2.397 10 0 CEAEHN CC(C)c1noc(COc2ccc3c(c2)OC[C@@H]3N)n1 ZINC000062803385 519905115 /nfs/dbraw/zinc/90/51/15/519905115.db2.gz WDPADIDPJIWUBP-NSHDSACASA-N 0 3 275.308 2.164 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(-c2nnco2)ccc1C ZINC000061291600 519906071 /nfs/dbraw/zinc/90/60/71/519906071.db2.gz QSKJCESMAFTLPP-UHFFFAOYSA-N 0 3 288.351 2.372 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(N(CC)CC)nc1 ZINC000061291567 519906715 /nfs/dbraw/zinc/90/67/15/519906715.db2.gz IKXNEXBJEHUVKS-UHFFFAOYSA-N 0 3 278.400 2.254 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(NC(=O)CC)c1 ZINC000061298506 519907226 /nfs/dbraw/zinc/90/72/26/519907226.db2.gz BHHRJMFNJAXSEJ-UHFFFAOYSA-N 0 3 277.368 2.362 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000061298340 519907245 /nfs/dbraw/zinc/90/72/45/519907245.db2.gz HCGWLAAEWKOJNR-UHFFFAOYSA-N 0 3 289.379 2.362 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000061287166 519907479 /nfs/dbraw/zinc/90/74/79/519907479.db2.gz RZDNLXOGZPODPT-UHFFFAOYSA-N 0 3 286.278 2.335 10 0 CEAEHN CCCNCc1ccc(-n2ccc(C(C)C)n2)nn1 ZINC000052885339 519946746 /nfs/dbraw/zinc/94/67/46/519946746.db2.gz AQBJRWFYBDUALY-UHFFFAOYSA-N 0 3 259.357 2.285 10 0 CEAEHN CCCN[C@@H](C)c1sc(CS(C)(=O)=O)nc1C ZINC000052789297 519990157 /nfs/dbraw/zinc/99/01/57/519990157.db2.gz WVBBOPWYPNVAKV-QMMMGPOBSA-N 0 3 276.427 2.057 10 0 CEAEHN CCCN[C@@H](C)c1cnc(-c2ncccn2)nc1C ZINC000054963078 519991182 /nfs/dbraw/zinc/99/11/82/519991182.db2.gz MLHFLPPNSMMQBW-JTQLQIEISA-N 0 3 257.341 2.303 10 0 CEAEHN CCNCc1ccc(Cn2nnc3ccccc32)o1 ZINC000052576592 519998420 /nfs/dbraw/zinc/99/84/20/519998420.db2.gz LPZIRGGOOTZDIN-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CCCN[C@@H](CS(C)(=O)=O)c1cccc(C)c1 ZINC000052789189 520011452 /nfs/dbraw/zinc/01/14/52/520011452.db2.gz VDOKJOGSNXVWJA-ZDUSSCGKSA-N 0 3 255.383 2.080 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1)[C@@H]1COCCO1 ZINC000055300430 520017332 /nfs/dbraw/zinc/01/73/32/520017332.db2.gz XTELAPXCQLWKCD-GJZGRUSLSA-N 0 3 265.353 2.151 10 0 CEAEHN CCCN[C@@](CN(C)c1ccccc1C)(C(N)=O)C1CC1 ZINC000069231350 520048719 /nfs/dbraw/zinc/04/87/19/520048719.db2.gz XCSFAZBBDGNYGL-QGZVFWFLSA-N 0 3 289.423 2.065 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OC[C@H](O)COC ZINC000069053937 520065507 /nfs/dbraw/zinc/06/55/07/520065507.db2.gz SAXFQICRCQNPSB-DGCLKSJQSA-N 0 3 285.359 2.272 10 0 CEAEHN CCCN[C@H](Cn1ncccc1=O)c1ccc(C)cc1 ZINC000061402210 520088866 /nfs/dbraw/zinc/08/88/66/520088866.db2.gz NJNDTXRQSGOTLT-OAHLLOKOSA-N 0 3 271.364 2.293 10 0 CEAEHN CCCN[C@H]1CCCc2nc(CS(C)(=O)=O)sc21 ZINC000052789312 520094858 /nfs/dbraw/zinc/09/48/58/520094858.db2.gz MHVURZODQSPLDD-VIFPVBQESA-N 0 3 288.438 2.065 10 0 CEAEHN CCCN[C@H]1COc2cc(OCc3nccn3C)ccc21 ZINC000062805070 520098319 /nfs/dbraw/zinc/09/83/19/520098319.db2.gz ZFKOSGFJAMZUCL-AWEZNQCLSA-N 0 3 287.363 2.432 10 0 CEAEHN CCCN[C@](C)(CN1CCCC(C)(C)C1)C(=O)OCC ZINC000069516726 520107216 /nfs/dbraw/zinc/10/72/16/520107216.db2.gz KCKWCRWDHCHQBV-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CC(=O)N2C)[C@H]1CCCCO1 ZINC000050962162 520112376 /nfs/dbraw/zinc/11/23/76/520112376.db2.gz PTBZYXPJGQUPDF-WBVHZDCISA-N 0 3 288.391 2.425 10 0 CEAEHN CCN[C@@](C)(CCSCc1ccccc1)C(N)=O ZINC000045556660 520135286 /nfs/dbraw/zinc/13/52/86/520135286.db2.gz BVQFIKSXKSKGQI-AWEZNQCLSA-N 0 3 266.410 2.163 10 0 CEAEHN CCN[C@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451251 520185445 /nfs/dbraw/zinc/18/54/45/520185445.db2.gz XKTJODMHOKBHJT-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@H](CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451251 520185448 /nfs/dbraw/zinc/18/54/48/520185448.db2.gz XKTJODMHOKBHJT-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@H](CN1CCCOCC1)c1ccccc1OC ZINC000061918056 520195919 /nfs/dbraw/zinc/19/59/19/520195919.db2.gz GBPXPQNIUDYRRF-OAHLLOKOSA-N 0 3 278.396 2.068 10 0 CEAEHN CCN[C@H](c1ccc(OC)c(C)c1)[C@@H]1COCCO1 ZINC000055300288 520208660 /nfs/dbraw/zinc/20/86/60/520208660.db2.gz TTZOLGUHRSAMEA-LSDHHAIUSA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CC(C)(C)O2)[C@H]1COCCO1 ZINC000055301518 520209677 /nfs/dbraw/zinc/20/96/77/520209677.db2.gz OPMFLBQWMZTBBL-HZPDHXFCSA-N 0 3 291.391 2.466 10 0 CEAEHN CCN[C@](C)(CCN1CCCC(C)(C)C1)C(=O)OC ZINC000069517136 520229628 /nfs/dbraw/zinc/22/96/28/520229628.db2.gz OZZXOYVGVNQTRC-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNc1ccc(C(=O)NC[C@H]2CCCCN2C)cc1 ZINC000050777808 520288930 /nfs/dbraw/zinc/28/89/30/520288930.db2.gz PKKCRURNCXQDFX-OAHLLOKOSA-N 0 3 275.396 2.333 10 0 CEAEHN CCN(CC(=O)NC(C)C)c1cc(Cl)ccc1CN ZINC000062786941 520324903 /nfs/dbraw/zinc/32/49/03/520324903.db2.gz BLNWMIGMWMUDAH-UHFFFAOYSA-N 0 3 283.803 2.150 10 0 CEAEHN CCCOc1ccc(C[C@H](CN)C(=O)N2CCCC2)cc1 ZINC000052919434 520376297 /nfs/dbraw/zinc/37/62/97/520376297.db2.gz VINGGQDPHZFXAX-OAHLLOKOSA-N 0 3 290.407 2.215 10 0 CEAEHN CCCOc1cccc(C(=O)N2[C@H](C)CNC[C@H]2C)c1 ZINC000069133465 520443088 /nfs/dbraw/zinc/44/30/88/520443088.db2.gz XGRUPQJKWHHSFZ-CHWSQXEVSA-N 0 3 276.380 2.298 10 0 CEAEHN CCCCNC(=O)[C@@H](C)N[C@H]1CCc2ccccc2C1 ZINC000052396225 520650782 /nfs/dbraw/zinc/65/07/82/520650782.db2.gz VVLOFFZYZLJKPK-CJNGLKHVSA-N 0 3 274.408 2.438 10 0 CEAEHN CCN(CC)CCc1nc(C)c(C(C)C)c(N)n1 ZINC000061687304 520711987 /nfs/dbraw/zinc/71/19/87/520711987.db2.gz HHNXNZDGFURGNN-UHFFFAOYSA-N 0 3 250.390 2.375 10 0 CEAEHN CCN(CC1CC1)[C@H](C)C(=O)Nc1cc(N)ccc1F ZINC000069237158 520966134 /nfs/dbraw/zinc/96/61/34/520966134.db2.gz ATJFVAJISQVACO-SNVBAGLBSA-N 0 3 279.359 2.467 10 0 CEAEHN CCOC(=O)Nc1ccc(NC(=O)C(C)(C)NC)cc1 ZINC000061300885 520994606 /nfs/dbraw/zinc/99/46/06/520994606.db2.gz OSMMGOGOUNIPCP-UHFFFAOYSA-N 0 3 279.340 2.192 10 0 CEAEHN CCCC[C@@H](C)NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051091838 521006319 /nfs/dbraw/zinc/00/63/19/521006319.db2.gz VYIBEAGFUDMXFZ-MRVPVSSYSA-N 0 3 270.764 2.329 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@@H](N)CCOC ZINC000052808161 521015318 /nfs/dbraw/zinc/01/53/18/521015318.db2.gz PGONGQPBEQJXOC-JTQLQIEISA-N 0 3 286.759 2.041 10 0 CEAEHN CCOC(=O)[C@@H](CN1CCC(CC)(CC)CC1)NC ZINC000062956499 521063568 /nfs/dbraw/zinc/06/35/68/521063568.db2.gz QATLVYNNBNXBOV-CYBMUJFWSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOc1ccc(NC(=O)c2ccnc(NN)c2)cc1 ZINC000051089284 521120079 /nfs/dbraw/zinc/12/00/79/521120079.db2.gz DMRKNRKWKGFIGE-UHFFFAOYSA-N 0 3 272.308 2.018 10 0 CEAEHN CCOc1ccc(NC(=O)c2cc[nH]c(=NN)c2)cc1 ZINC000051089284 521120084 /nfs/dbraw/zinc/12/00/84/521120084.db2.gz DMRKNRKWKGFIGE-UHFFFAOYSA-N 0 3 272.308 2.018 10 0 CEAEHN CCOC(=O)[C@H](CN(C)C(C)(C)CC)NC(C)C ZINC000069446546 521250677 /nfs/dbraw/zinc/25/06/77/521250677.db2.gz IWXCHXNHFDMCMC-LBPRGKRZSA-N 0 3 258.406 2.037 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1ccc(F)cc1N ZINC000069427862 521301854 /nfs/dbraw/zinc/30/18/54/521301854.db2.gz GDMNUPFENXJVQK-UHFFFAOYSA-N 0 3 267.348 2.467 10 0 CEAEHN CCOC(=O)[C@](CN1CCC[C@@H](CC)C1)(NC)C1CC1 ZINC000069099971 521340273 /nfs/dbraw/zinc/34/02/73/521340273.db2.gz LHSYGAPKFOQWJM-CZUORRHYSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN(Cc1cccnc1C(N)=S)C1CCCC1 ZINC000061659728 521398552 /nfs/dbraw/zinc/39/85/52/521398552.db2.gz YSIDNUIKASUKLQ-UHFFFAOYSA-N 0 3 263.410 2.480 10 0 CEAEHN CCCc1ccc([C@H](CN2CCN(C)C2=O)NC)cc1 ZINC000052885588 521418775 /nfs/dbraw/zinc/41/87/75/521418775.db2.gz WDUIOVPPQRTDHL-HNNXBMFYSA-N 0 3 275.396 2.267 10 0 CEAEHN CCCn1cccc1C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000070195887 521658547 /nfs/dbraw/zinc/65/85/47/521658547.db2.gz LBKZAPRGEGAOTL-CQSZACIVSA-N 0 3 283.375 2.428 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)NC ZINC000062746500 521743915 /nfs/dbraw/zinc/74/39/15/521743915.db2.gz LNDARSYSDOQGKP-VHSXEESVSA-N 0 3 268.332 2.010 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000052792003 521825001 /nfs/dbraw/zinc/82/50/01/521825001.db2.gz HRIAFONVFXNPLV-CZUORRHYSA-N 0 3 292.423 2.426 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2ccc(OC)cc2)c[nH]1 ZINC000052811280 521834955 /nfs/dbraw/zinc/83/49/55/521834955.db2.gz VMKFEGMGESWRFP-GFCCVEGCSA-N 0 3 261.325 2.122 10 0 CEAEHN COCCc1nc(C)c(CNC(C)(C)C)c(C)n1 ZINC000054854482 522031925 /nfs/dbraw/zinc/03/19/25/522031925.db2.gz PZENYJQUQUPSSU-UHFFFAOYSA-N 0 3 251.374 2.170 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1cc(C)c(CN)o1 ZINC000052547353 522092463 /nfs/dbraw/zinc/09/24/63/522092463.db2.gz KXVVVPDCRQKIGZ-GFCCVEGCSA-N 0 3 254.374 2.294 10 0 CEAEHN CC[C@@H](C)N(CCOC)C(=O)[C@@H](CN)c1ccccc1 ZINC000061612982 522088488 /nfs/dbraw/zinc/08/84/88/522088488.db2.gz AXJUSWXEBPOZEL-HIFRSBDPSA-N 0 3 278.396 2.002 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@@H](NC2CCC(CC)CC2)C1=O ZINC000049118576 522106732 /nfs/dbraw/zinc/10/67/32/522106732.db2.gz XFIPBEVIXNROAZ-BLYZHGLHSA-N 0 3 280.412 2.471 10 0 CEAEHN CNCc1cc2ccccc2c(N2CCO[C@@H](C)C2)n1 ZINC000051400155 522114787 /nfs/dbraw/zinc/11/47/87/522114787.db2.gz GJISBAUIBXKCFU-LBPRGKRZSA-N 0 3 271.364 2.179 10 0 CEAEHN CC[C@@H](C)N1CCN(c2nc(C)c([C@H](C)N)s2)CC1 ZINC000055076289 522137433 /nfs/dbraw/zinc/13/74/33/522137433.db2.gz MBDSPEZIRRLFMA-MNOVXSKESA-N 0 3 282.457 2.392 10 0 CEAEHN Cc1cccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[O-] ZINC000155443313 534618375 /nfs/dbraw/zinc/61/83/75/534618375.db2.gz QZOSPKCAEAEDDW-GXTWGEPZSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[O-] ZINC000155443313 534618376 /nfs/dbraw/zinc/61/83/76/534618376.db2.gz QZOSPKCAEAEDDW-GXTWGEPZSA-N 0 3 276.380 2.159 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784729 522341330 /nfs/dbraw/zinc/34/13/30/522341330.db2.gz PTHOBYHQIACRIP-UWVGGRQHSA-N 0 3 269.213 2.452 10 0 CEAEHN CN[C@@H](Cn1ccc(=O)cc1)c1cc(C)ccc1OC ZINC000061627805 522365740 /nfs/dbraw/zinc/36/57/40/522365740.db2.gz WJCVTQGIAPVGSY-HNNXBMFYSA-N 0 3 272.348 2.126 10 0 CEAEHN CN[C@@H]1COc2cc(OCc3ccccn3)ccc21 ZINC000062804489 522401075 /nfs/dbraw/zinc/40/10/75/522401075.db2.gz YFMCDYIJWLVEIR-CQSZACIVSA-N 0 3 256.305 2.314 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)Sc1nc2ccccc2o1)C(N)=O ZINC000068637610 522419976 /nfs/dbraw/zinc/41/99/76/522419976.db2.gz YIJFEHYARDPPEG-OTYXRUKQSA-N 0 3 293.392 2.162 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCCCC(=O)N(C)C ZINC000062746181 522447091 /nfs/dbraw/zinc/44/70/91/522447091.db2.gz TZGDEELLMAMQEX-LLVKDONJSA-N 0 3 282.359 2.353 10 0 CEAEHN CN[C@H](c1ccc(OC)c(OC)c1OC)[C@@H]1CCCOC1 ZINC000062234163 522480785 /nfs/dbraw/zinc/48/07/85/522480785.db2.gz FOAHGDPPQUKCHU-RISCZKNCSA-N 0 3 295.379 2.400 10 0 CEAEHN CCc1nc2cc(N)ccc2n1[C@H](C)CN1CCOCC1 ZINC000052854846 522485547 /nfs/dbraw/zinc/48/55/47/522485547.db2.gz PMZYEMHRAVNHBX-GFCCVEGCSA-N 0 3 288.395 2.074 10 0 CEAEHN CN[C@H]1COc2cc(OCCOCC(F)(F)F)ccc21 ZINC000062804084 522507762 /nfs/dbraw/zinc/50/77/62/522507762.db2.gz AIPRFQHNKNNWBF-NSHDSACASA-N 0 3 291.269 2.297 10 0 CEAEHN CN[C@H]1COc2cc(OC[C@H]3CCCCO3)ccc21 ZINC000062804016 522508251 /nfs/dbraw/zinc/50/82/51/522508251.db2.gz QMVWFRGKMAIGNX-OCCSQVGLSA-N 0 3 263.337 2.287 10 0 CEAEHN CC[C@H](NC(=O)[C@H]1CCCCN1)c1cccs1 ZINC000049532089 522511554 /nfs/dbraw/zinc/51/15/54/522511554.db2.gz KOCSXBYOYPBAIN-WDEREUQCSA-N 0 3 252.383 2.458 10 0 CEAEHN CNc1ccc(CN(CCOC)CC(C)C)cn1 ZINC000050815107 522606223 /nfs/dbraw/zinc/60/62/23/522606223.db2.gz BSSVOPKHOLAZMY-UHFFFAOYSA-N 0 3 251.374 2.228 10 0 CEAEHN COc1cc(F)ccc1NC(=O)[C@H](N)CC(C)C ZINC000049569941 522610905 /nfs/dbraw/zinc/61/09/05/522610905.db2.gz JZAWEPXDJZPDMZ-SNVBAGLBSA-N 0 3 254.305 2.146 10 0 CEAEHN COc1cc(F)ccc1N[C@@H]1CN2CCC1CC2 ZINC000049564012 522616985 /nfs/dbraw/zinc/61/69/85/522616985.db2.gz MWDPGYHWOIKFDZ-CYBMUJFWSA-N 0 3 250.317 2.340 10 0 CEAEHN COC1CCN(c2nc(C)c([C@H](C)N)s2)CC1 ZINC000054895412 522709595 /nfs/dbraw/zinc/70/95/95/522709595.db2.gz OBLSNSDBILNMGJ-QMMMGPOBSA-N 0 3 255.387 2.086 10 0 CEAEHN COC1CCN(c2c(CNC(C)(C)C)c(C)nn2C)CC1 ZINC000062735580 522710552 /nfs/dbraw/zinc/71/05/52/522710552.db2.gz QFMSDIUISBOSFC-UHFFFAOYSA-N 0 3 294.443 2.232 10 0 CEAEHN COc1cc(OC)c(OC)cc1CN[C@H]1C[C@@H]1C ZINC000052269560 522827149 /nfs/dbraw/zinc/82/71/49/522827149.db2.gz UUUOACBRDQFQSP-ONGXEEELSA-N 0 3 251.326 2.210 10 0 CEAEHN CC[C@@H](N[C@@H](C)C(=O)N1CCOCC1)c1cccs1 ZINC000049530654 522906635 /nfs/dbraw/zinc/90/66/35/522906635.db2.gz GMAPFUYKQFIUHK-NWDGAFQWSA-N 0 3 282.409 2.036 10 0 CEAEHN C[N@H+](CC[C@H](NC1CC1)C(=O)[O-])C1CCCCCC1 ZINC000062451280 522932705 /nfs/dbraw/zinc/93/27/05/522932705.db2.gz KAIOTIVPZVFYRA-AWEZNQCLSA-N 0 3 268.401 2.236 10 0 CEAEHN C[N@@H+](CC[C@H](NC1CC1)C(=O)[O-])C1CCCCCC1 ZINC000062451280 522932710 /nfs/dbraw/zinc/93/27/10/522932710.db2.gz KAIOTIVPZVFYRA-AWEZNQCLSA-N 0 3 268.401 2.236 10 0 CEAEHN CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1CN ZINC000049120934 523045946 /nfs/dbraw/zinc/04/59/46/523045946.db2.gz VGETWBHGNVPSIQ-JSGCOSHPSA-N 0 3 296.436 2.392 10 0 CEAEHN COCCCN(C)C[C@H](O)c1ccc(C)cc1C ZINC000062034411 523229479 /nfs/dbraw/zinc/22/94/79/523229479.db2.gz CBAMEGREWIQRJJ-HNNXBMFYSA-N 0 3 251.370 2.305 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1Cc1cc(CN)oc1C ZINC000052571056 523350394 /nfs/dbraw/zinc/35/03/94/523350394.db2.gz RLTUJPFTXNLYBK-MFKMUULPSA-N 0 3 252.358 2.046 10 0 CEAEHN CCn1cc([C@H](Cc2csc(C)n2)NC)cn1 ZINC000055295098 523480672 /nfs/dbraw/zinc/48/06/72/523480672.db2.gz CBPFEYINTCFNCH-LBPRGKRZSA-N 0 3 250.371 2.171 10 0 CEAEHN COCCN(C)CCN[C@@H](C)c1c(F)cccc1F ZINC000061375076 523607677 /nfs/dbraw/zinc/60/76/77/523607677.db2.gz WKSABRLSFCGMPJ-NSHDSACASA-N 0 3 272.339 2.194 10 0 CEAEHN CN1C(=O)CCC[C@H](N)[C@@H]1c1ccccc1Cl ZINC000070292156 523682160 /nfs/dbraw/zinc/68/21/60/523682160.db2.gz KITJYRCANFOHHP-AAEUAGOBSA-N 0 3 252.745 2.351 10 0 CEAEHN CO[C@H](C(=O)Nc1cccc(CN)c1)c1ccccc1 ZINC000050436850 523835153 /nfs/dbraw/zinc/83/51/53/523835153.db2.gz XZPIOQDHNUFCIA-HNNXBMFYSA-N 0 3 270.332 2.472 10 0 CEAEHN CN1CCN(C[C@H](N)c2cccc(C(F)(F)F)c2)C1=O ZINC000052885725 523906474 /nfs/dbraw/zinc/90/64/74/523906474.db2.gz LBSHOWSPUXLECT-NSHDSACASA-N 0 3 287.285 2.073 10 0 CEAEHN COCCNC[C@H](O)c1c(OC)ccc2ccccc21 ZINC000055030650 523943857 /nfs/dbraw/zinc/94/38/57/523943857.db2.gz PPBBXBHZMYMNGJ-AWEZNQCLSA-N 0 3 275.348 2.118 10 0 CEAEHN COCCNCc1cc(C)c(OCCOC)c(C)c1 ZINC000062728627 523948868 /nfs/dbraw/zinc/94/88/68/523948868.db2.gz ZSMQXGJWCJPEMF-UHFFFAOYSA-N 0 3 267.369 2.065 10 0 CEAEHN COCCNCc1cc(F)ccc1N(C)[C@@H](C)COC ZINC000062737321 523949699 /nfs/dbraw/zinc/94/96/99/523949699.db2.gz CUPHUSFLMVUDQQ-LBPRGKRZSA-N 0 3 284.375 2.033 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2nc3cc(N)ccc3[nH]2)CC1 ZINC000055063493 523956248 /nfs/dbraw/zinc/95/62/48/523956248.db2.gz IBWVWKRPCQFTEW-LBPRGKRZSA-N 0 3 287.411 2.061 10 0 CEAEHN COCCNCc1cnc(N2Cc3ccccc3C2)s1 ZINC000054905513 523956514 /nfs/dbraw/zinc/95/65/14/523956514.db2.gz VLFVLRKNKOGHFQ-UHFFFAOYSA-N 0 3 289.404 2.399 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(Cl)c(CN)n2)CC1 ZINC000055073562 523960686 /nfs/dbraw/zinc/96/06/86/523960686.db2.gz PPAISBFWPPQEON-NSHDSACASA-N 0 3 282.819 2.114 10 0 CEAEHN COCCN[C@](C)(CO)c1cccc2ccccc21 ZINC000053292559 523962060 /nfs/dbraw/zinc/96/20/60/523962060.db2.gz ZOBSXSSFBOYCSP-MRXNPFEDSA-N 0 3 259.349 2.283 10 0 CEAEHN CCc1cccc(C)c1-n1nnnc1CNCC(C)C ZINC000054744239 524062094 /nfs/dbraw/zinc/06/20/94/524062094.db2.gz GABXVYVGXHRAPA-UHFFFAOYSA-N 0 3 273.384 2.279 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)c2ccnc(NN)c2)c1 ZINC000051094546 524184748 /nfs/dbraw/zinc/18/47/48/524184748.db2.gz REVMYWJIBYRMFI-UHFFFAOYSA-N 0 3 292.726 2.282 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)c2cc[nH]c(=NN)c2)c1 ZINC000051094546 524184755 /nfs/dbraw/zinc/18/47/55/524184755.db2.gz REVMYWJIBYRMFI-UHFFFAOYSA-N 0 3 292.726 2.282 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@@H]1CCCO ZINC000052762987 524276498 /nfs/dbraw/zinc/27/64/98/524276498.db2.gz YIAGLOWXYDZDEW-DZGCQCFKSA-N 0 3 276.380 2.251 10 0 CEAEHN COc1ccc(NC(=O)CNC[C@@H](C)CSC)cc1 ZINC000069447974 524498322 /nfs/dbraw/zinc/49/83/22/524498322.db2.gz HYVKWAQYDOFJPB-LLVKDONJSA-N 0 3 282.409 2.222 10 0 CEAEHN COc1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1O ZINC000061611785 524589297 /nfs/dbraw/zinc/58/92/97/524589297.db2.gz JUDBFKDQGVSVGT-ZDUSSCGKSA-N 0 3 286.331 2.082 10 0 CEAEHN COc1ccc(NC(=O)[C@H]2CCC[C@H](C)N2)cc1C ZINC000049532365 524615849 /nfs/dbraw/zinc/61/58/49/524615849.db2.gz RUSFGFORVYECAM-WCQYABFASA-N 0 3 262.353 2.473 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cc3ccccc3o2)CCN1C ZINC000068812053 524664132 /nfs/dbraw/zinc/66/41/32/524664132.db2.gz RORHBMBAIXLTLA-JSGCOSHPSA-N 0 3 273.380 2.069 10 0 CEAEHN Cc1cc(F)ccc1[C@@H](NC1CCCC1)C(N)=O ZINC000050579741 525005828 /nfs/dbraw/zinc/00/58/28/525005828.db2.gz YQJXTHOYYDGYDW-CYBMUJFWSA-N 0 3 250.317 2.193 10 0 CEAEHN C[C@@H]([NH3+])[C@]([O-])(c1ccccc1Cl)C(F)(F)F ZINC000062784756 525023592 /nfs/dbraw/zinc/02/35/92/525023592.db2.gz IUIMTKDSDKFNOE-MUWHJKNJSA-N 0 3 253.651 2.437 10 0 CEAEHN Cc1cc(N2CCN(CC3CC3)CC2)ccc1CO ZINC000050583107 525081286 /nfs/dbraw/zinc/08/12/86/525081286.db2.gz JSVPXRDGWGUPNH-UHFFFAOYSA-N 0 3 260.381 2.019 10 0 CEAEHN C[C@@H]1CSCCN1c1nc(C2CC2)c(CN)s1 ZINC000070222238 525171576 /nfs/dbraw/zinc/17/15/76/525171576.db2.gz NCLRYNXCTJQZCD-MRVPVSSYSA-N 0 3 269.439 2.421 10 0 CEAEHN COc1ccc([C@H](O)[C@H](N)c2ccccc2)c(OC)c1 ZINC000054682425 525379352 /nfs/dbraw/zinc/37/93/52/525379352.db2.gz ISMDOTMBGOSBDD-CVEARBPZSA-N 0 3 273.332 2.437 10 0 CEAEHN Cc1ccccc1[C@H](C)NCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000155922220 525414296 /nfs/dbraw/zinc/41/42/96/525414296.db2.gz OKGZPQVGTXAWKQ-KFWWJZLASA-N 0 3 290.407 2.281 10 0 CEAEHN Cc1ccc(O[C@@H](C)C[C@](C)(NC(C)C)C(N)=O)cc1 ZINC000068653539 525461914 /nfs/dbraw/zinc/46/19/14/525461914.db2.gz NVUAGEMFTDEQGO-BBRMVZONSA-N 0 3 278.396 2.394 10 0 CEAEHN CN[C@H](C)c1cc(F)ccc1N1CCOC[C@@H]1C ZINC000035776768 536406509 /nfs/dbraw/zinc/40/65/09/536406509.db2.gz HAFVGIJRLHPULC-WDEREUQCSA-N 0 3 252.333 2.331 10 0 CEAEHN CSC[C@@H](C)CN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000069438818 525623059 /nfs/dbraw/zinc/62/30/59/525623059.db2.gz HTPSAEDSJJAVQQ-AAEUAGOBSA-N 0 3 299.461 2.494 10 0 CEAEHN C[C@@H]1[C@@H](C)CCCN1Cc1cccnc1C(N)=S ZINC000061663655 525642079 /nfs/dbraw/zinc/64/20/79/525642079.db2.gz NFOKQYKXFBZESY-WDEREUQCSA-N 0 3 263.410 2.336 10 0 CEAEHN C[C@@](N)(c1cncnc1)c1ccccc1Br ZINC000052887684 525750623 /nfs/dbraw/zinc/75/06/23/525750623.db2.gz ICTLAJCEIYXAIV-GFCCVEGCSA-N 0 3 278.153 2.461 10 0 CEAEHN Cc1c(N)cc(C(=O)N[C@H](C)CN2CCCCC2)cc1F ZINC000049500490 525817489 /nfs/dbraw/zinc/81/74/89/525817489.db2.gz SRPWJNCGZIATBB-LLVKDONJSA-N 0 3 293.386 2.321 10 0 CEAEHN Cc1ccsc1[C@H](N)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392339 525890855 /nfs/dbraw/zinc/89/08/55/525890855.db2.gz GOABMWYSCJKADX-CYBMUJFWSA-N 0 3 287.388 2.295 10 0 CEAEHN COc1cccc(CN(C)Cc2occc2CN)c1 ZINC000052372918 525916534 /nfs/dbraw/zinc/91/65/34/525916534.db2.gz QYAFPXAPVBLVHS-UHFFFAOYSA-N 0 3 260.337 2.379 10 0 CEAEHN Cc1nnc(N2C[C@@H](C)N[C@@H](C)C2)c2ccccc12 ZINC000053712169 526360967 /nfs/dbraw/zinc/36/09/67/526360967.db2.gz LJTKQJFAUDJYDZ-PHIMTYICSA-N 0 3 256.353 2.125 10 0 CEAEHN c1ccc([C@H]2CN(Cc3ccccn3)CCN2)cc1 ZINC000068693508 526498913 /nfs/dbraw/zinc/49/89/13/526498913.db2.gz MWLTVYNPTWUZKA-MRXNPFEDSA-N 0 3 253.349 2.228 10 0 CEAEHN O=C(CCN[C@@H]1CCCc2sccc21)NC1CC1 ZINC000061362162 526515184 /nfs/dbraw/zinc/51/51/84/526515184.db2.gz ACFVEJVEYDLCEZ-GFCCVEGCSA-N 0 3 264.394 2.384 10 0 CEAEHN Cc1nc(C2CCOCC2)nc(NN)c1C(C)C ZINC000061689077 526785073 /nfs/dbraw/zinc/78/50/73/526785073.db2.gz JUCUKQRMJLMHIR-UHFFFAOYSA-N 0 3 250.346 2.088 10 0 CEAEHN Clc1cccc(-c2cc(N3CCNCC3)n[nH]2)c1 ZINC000062669952 526970685 /nfs/dbraw/zinc/97/06/85/526970685.db2.gz UIEKFOBSYLWKGN-UHFFFAOYSA-N 0 3 262.744 2.140 10 0 CEAEHN Cc1nc(N2CCOCC2(C)C)sc1CNC1CC1 ZINC000055001882 526971044 /nfs/dbraw/zinc/97/10/44/526971044.db2.gz VHZYJWARIOKHEE-UHFFFAOYSA-N 0 3 281.425 2.319 10 0 CEAEHN NC(=O)[C@]1(NC2CCCC2)CCCc2sccc21 ZINC000061329906 527016603 /nfs/dbraw/zinc/01/66/03/527016603.db2.gz AJXNCUBDPNMCKE-AWEZNQCLSA-N 0 3 264.394 2.297 10 0 CEAEHN NC[C@@H](C(=O)Nc1cccc2n[nH]cc21)c1ccccc1 ZINC000061611924 527202729 /nfs/dbraw/zinc/20/27/29/527202729.db2.gz HAEPQDGNVIZHEX-GFCCVEGCSA-N 0 3 280.331 2.244 10 0 CEAEHN NC[C@H](C(=O)Nc1cccc2n[nH]cc21)c1ccccc1 ZINC000061611925 527225400 /nfs/dbraw/zinc/22/54/00/527225400.db2.gz HAEPQDGNVIZHEX-LBPRGKRZSA-N 0 3 280.331 2.244 10 0 CEAEHN NCc1c(N2Cc3ccccc3C2)nc2ccccn21 ZINC000050911783 527242979 /nfs/dbraw/zinc/24/29/79/527242979.db2.gz YGJRAPWQNXRFFU-UHFFFAOYSA-N 0 3 264.332 2.313 10 0 CEAEHN NCc1ccc(F)cc1Cn1ncc(=O)c2ccccc21 ZINC000069401992 527254616 /nfs/dbraw/zinc/25/46/16/527254616.db2.gz ZLORQDGUHLEVED-UHFFFAOYSA-N 0 3 283.306 2.043 10 0 CEAEHN NCc1ccnc(Cc2ccc(F)cc2Cl)n1 ZINC000062609148 527262136 /nfs/dbraw/zinc/26/21/36/527262136.db2.gz OMEPFGCQKUFWGR-UHFFFAOYSA-N 0 3 251.692 2.319 10 0 CEAEHN NNc1cc(C(=O)Nc2ccc(Cl)cc2)ccn1 ZINC000051096327 527272693 /nfs/dbraw/zinc/27/26/93/527272693.db2.gz WOYDTRXKORHZBP-UHFFFAOYSA-N 0 3 262.700 2.273 10 0 CEAEHN NN=c1cc(C(=O)Nc2ccc(Cl)cc2)cc[nH]1 ZINC000051096327 527272696 /nfs/dbraw/zinc/27/26/96/527272696.db2.gz WOYDTRXKORHZBP-UHFFFAOYSA-N 0 3 262.700 2.273 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000069052704 527278312 /nfs/dbraw/zinc/27/83/12/527278312.db2.gz WJHNVUNQNQMXNL-PVXIVEMSSA-N 0 3 268.360 2.483 10 0 CEAEHN N[C@@H]1COc2cc(OCCc3ccncc3)ccc21 ZINC000062803648 527376503 /nfs/dbraw/zinc/37/65/03/527376503.db2.gz KBVVOXFCECMKII-CQSZACIVSA-N 0 3 256.305 2.095 10 0 CEAEHN N[C@H](c1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000050892104 527390812 /nfs/dbraw/zinc/39/08/12/527390812.db2.gz JIIGDDVKEFVNPL-OAHLLOKOSA-N 0 3 282.299 2.104 10 0 CEAEHN N[C@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000054681942 527392195 /nfs/dbraw/zinc/39/21/95/527392195.db2.gz QNPDAQVEUMGMTF-CVEARBPZSA-N 0 3 271.316 2.191 10 0 CEAEHN N[C@H]1COc2cc(OCCc3ccncc3)ccc21 ZINC000062803647 527417155 /nfs/dbraw/zinc/41/71/55/527417155.db2.gz KBVVOXFCECMKII-AWEZNQCLSA-N 0 3 256.305 2.095 10 0 CEAEHN O=c1[n-][nH]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000061591155 527435035 /nfs/dbraw/zinc/43/50/35/527435035.db2.gz UKZKHBOOIUWRCM-UHFFFAOYSA-N 0 3 290.392 2.071 10 0 CEAEHN Nc1nc2ccccc2cc1CN1CCCC[C@@H]1CO ZINC000050817062 527560857 /nfs/dbraw/zinc/56/08/57/527560857.db2.gz FSYNZZVKAIBOBU-CQSZACIVSA-N 0 3 271.364 2.164 10 0 CEAEHN Cn1nccc1[C@H](N)c1cccc(Br)c1 ZINC000069020481 527628680 /nfs/dbraw/zinc/62/86/80/527628680.db2.gz UKUDROSBGPNOLZ-LLVKDONJSA-N 0 3 266.142 2.231 10 0 CEAEHN FC(F)(F)CN1CCN([C@@H]2CNCc3ccccc32)CC1 ZINC000069267210 527667768 /nfs/dbraw/zinc/66/77/68/527667768.db2.gz YENYHMPRMFVFKQ-CQSZACIVSA-N 0 3 299.340 2.011 10 0 CEAEHN Cc1nn(C)c(N2CCC[C@H]2C)c1CNCC(C)C ZINC000062736471 527676255 /nfs/dbraw/zinc/67/62/55/527676255.db2.gz OXBSUYGKRNCVLG-GFCCVEGCSA-N 0 3 264.417 2.463 10 0 CEAEHN Cc1nn(C)c(N2CC[C@H](C)C2)c1CNC(C)(C)C ZINC000062736631 527677062 /nfs/dbraw/zinc/67/70/62/527677062.db2.gz VEYBGGGUSAXFJW-NSHDSACASA-N 0 3 264.417 2.463 10 0 CEAEHN CCCC1(CNC(=O)N2CCN3CCC[C@@H]3C2)CCC1 ZINC000177250848 528047627 /nfs/dbraw/zinc/04/76/27/528047627.db2.gz NHNDKRQLAMHNTE-CQSZACIVSA-N 0 3 279.428 2.446 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000173330103 528965947 /nfs/dbraw/zinc/96/59/47/528965947.db2.gz DUCLCKTWUQWNOR-AVGNSLFASA-N 0 3 255.406 2.155 10 0 CEAEHN CC1(C)CN[C@@]2(CCCSC2)O[C@]12CCOC2 ZINC000757144978 574510337 /nfs/dbraw/zinc/51/03/37/574510337.db2.gz NZRDIZLSLLWUAT-STQMWFEESA-N 0 3 257.399 2.015 10 0 CEAEHN CCN[S@](=O)(=N[C@@H](C)CC)c1ccc(N)cc1 ZINC000675073904 574511335 /nfs/dbraw/zinc/51/13/35/574511335.db2.gz BWVMSMAMOTTWKC-BTDLBPIBSA-N 0 3 255.387 2.419 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1ccccc1OCC)N(C)C ZINC000131896127 625280949 /nfs/dbraw/zinc/28/09/49/625280949.db2.gz SGZUHAWZFPEQBE-HNNXBMFYSA-N 0 3 292.423 2.474 10 0 CEAEHN COc1ccc(-c2ncc(CN)s2)c(OC)c1 ZINC000040996835 623177362 /nfs/dbraw/zinc/17/73/62/623177362.db2.gz NJQZVNPCVBXXFB-UHFFFAOYSA-N 0 3 250.323 2.286 10 0 CEAEHN CCN1CCC[C@H]1CNS(=O)(=O)/C=C\c1ccccc1 ZINC000255200630 623348343 /nfs/dbraw/zinc/34/83/43/623348343.db2.gz VSTCSLVZRGZJJQ-WQTVUKCASA-N 0 3 294.420 2.061 10 0 CEAEHN C[C@@H]1CN(C[C@](C)(O)c2ccccc2)CC(C)(C)O1 ZINC000052097445 625662512 /nfs/dbraw/zinc/66/25/12/625662512.db2.gz ZBHQYEMYRHILBR-CJNGLKHVSA-N 0 3 263.381 2.393 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(Cl)nc2)C1 ZINC000049210945 629853220 /nfs/dbraw/zinc/85/32/20/629853220.db2.gz WYKIYIXHTSYQGG-NSHDSACASA-N 0 3 282.775 2.341 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000263494095 631446004 /nfs/dbraw/zinc/44/60/04/631446004.db2.gz JGAYBKDRZDNQFL-OEGGNGQFSA-N 0 3 282.428 2.338 10 0 CEAEHN Cc1ccnc(C[C@@H](C)N(C)Cc2cnc3nccn3c2)c1 ZINC000055413862 639364955 /nfs/dbraw/zinc/36/49/55/639364955.db2.gz WEECVNPVKQFYNL-CQSZACIVSA-N 0 3 295.390 2.496 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2cc(C)nc(Cl)c2)C1 ZINC000180916368 641494603 /nfs/dbraw/zinc/49/46/03/641494603.db2.gz FACDEAMYCRVRQV-GFCCVEGCSA-N 0 3 281.787 2.258 10 0 CEAEHN CCCN[C@@H]1CCC[C@H]1S(=O)(=O)c1ccccc1OC ZINC000081987629 177913999 /nfs/dbraw/zinc/91/39/99/177913999.db2.gz MLSODJNGVVJDLV-TZMCWYRMSA-N 0 3 297.420 2.390 10 0 CEAEHN COCc1nc(-c2ccc(OC)c(OC)c2)sc1CN ZINC000082446495 178023934 /nfs/dbraw/zinc/02/39/34/178023934.db2.gz WMNKRFQUBMXNAI-UHFFFAOYSA-N 0 3 294.376 2.432 10 0 CEAEHN CNCc1sc(N2CCCC[C@@H]2C)nc1COC ZINC000082447160 178026148 /nfs/dbraw/zinc/02/61/48/178026148.db2.gz HSDNPLPMMXYWDF-JTQLQIEISA-N 0 3 269.414 2.388 10 0 CEAEHN CNCc1sc(N2CCCCCC2)nc1COC ZINC000082447331 178027053 /nfs/dbraw/zinc/02/70/53/178027053.db2.gz BXZTVRGSICFKGF-UHFFFAOYSA-N 0 3 269.414 2.389 10 0 CEAEHN C[C@@H](CN1CCCC1)Nc1ncc(Br)cn1 ZINC000082661967 178150166 /nfs/dbraw/zinc/15/01/66/178150166.db2.gz KOBILMBYVLUGFZ-VIFPVBQESA-N 0 3 285.189 2.135 10 0 CEAEHN Cc1cc(Br)cn2c([C@@H](C)N)cnc12 ZINC000082693422 178187711 /nfs/dbraw/zinc/18/77/11/178187711.db2.gz QPPCQXMJQXOVTD-SSDOTTSWSA-N 0 3 254.131 2.425 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000034939067 361797973 /nfs/dbraw/zinc/79/79/73/361797973.db2.gz BHUOJUTVIWWRLN-LDYMZIIASA-N 0 3 251.717 2.266 10 0 CEAEHN Cn1cc([C@H](N)c2ccc(F)cc2Br)cn1 ZINC000034957694 361800322 /nfs/dbraw/zinc/80/03/22/361800322.db2.gz SVXABXRIYBCCLP-NSHDSACASA-N 0 3 284.132 2.370 10 0 CEAEHN Cn1cc([C@@H](N)c2cc(F)ccc2Br)cn1 ZINC000034957683 361800334 /nfs/dbraw/zinc/80/03/34/361800334.db2.gz ILBHGOJHEGZNHD-LLVKDONJSA-N 0 3 284.132 2.370 10 0 CEAEHN CCOc1ccccc1N1CCN(C[C@](C)(O)CC)CC1 ZINC000123014946 365634327 /nfs/dbraw/zinc/63/43/27/365634327.db2.gz GUOAYOBIBJDTNJ-QGZVFWFLSA-N 0 3 292.423 2.368 10 0 CEAEHN CC[C@](C)(O)CN(C)Cc1ccccc1N1CCOCC1 ZINC000123293846 365637129 /nfs/dbraw/zinc/63/71/29/365637129.db2.gz FNQYDNKCRMUOLG-KRWDZBQOSA-N 0 3 292.423 2.116 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1ccccc1N1CCCC1 ZINC000037016732 361884081 /nfs/dbraw/zinc/88/40/81/361884081.db2.gz YHCGTIXFZGBPDN-GFCCVEGCSA-N 0 3 261.369 2.353 10 0 CEAEHN CC(C)(N)C(=O)Cc1ccc(Br)cc1 ZINC000096957616 185141705 /nfs/dbraw/zinc/14/17/05/185141705.db2.gz RJXGGVBQSGAMHY-UHFFFAOYSA-N 0 3 256.143 2.298 10 0 CEAEHN NC[C@H](c1ccc2c(c1)OCCCO2)N1CCCCC1 ZINC000037675140 361920866 /nfs/dbraw/zinc/92/08/66/361920866.db2.gz ZTZWOYXQTOHXLS-CQSZACIVSA-N 0 3 276.380 2.334 10 0 CEAEHN CN1CCC2(CC1)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005902 185150743 /nfs/dbraw/zinc/15/07/43/185150743.db2.gz CWLCFRCWRLIGMF-LBPRGKRZSA-N 0 3 251.301 2.106 10 0 CEAEHN CN1CC[C@]2(C1)C[C@@H](O)c1cc(Br)ccc1O2 ZINC000097004738 185150767 /nfs/dbraw/zinc/15/07/67/185150767.db2.gz CYXSQJHHFFYTMC-DGCLKSJQSA-N 0 3 298.180 2.339 10 0 CEAEHN N[C@@H](c1cncn1Cc1cccs1)[C@H]1CCOC1 ZINC000097013769 185151574 /nfs/dbraw/zinc/15/15/74/185151574.db2.gz BPFRUYREPCJIJX-GXFFZTMASA-N 0 3 263.366 2.029 10 0 CEAEHN CCn1c2ccccc2cc(CNC[C@H]2CCCO2)c1=O ZINC000039287555 361987776 /nfs/dbraw/zinc/98/77/76/361987776.db2.gz CZCITERFAWWJER-OAHLLOKOSA-N 0 3 286.375 2.290 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccnc(Cl)c1 ZINC000037991407 361973605 /nfs/dbraw/zinc/97/36/05/361973605.db2.gz CWNQZVUAWKJARK-GFCCVEGCSA-N 0 3 283.803 2.441 10 0 CEAEHN CCC(CC)C[N@@H+]1CCC[C@H](N(C)CC(=O)[O-])CC1 ZINC000263534670 282163005 /nfs/dbraw/zinc/16/30/05/282163005.db2.gz YOAJMPHJASNJKA-AWEZNQCLSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC(CC)C[N@H+]1CCC[C@H](N(C)CC(=O)[O-])CC1 ZINC000263534670 282163006 /nfs/dbraw/zinc/16/30/06/282163006.db2.gz YOAJMPHJASNJKA-AWEZNQCLSA-N 0 3 270.417 2.294 10 0 CEAEHN CC[C@@H](NC(=O)[C@H](N)CC(C)C)c1nccs1 ZINC000080269046 539172460 /nfs/dbraw/zinc/17/24/60/539172460.db2.gz XAHRVLJWUYRWNA-NXEZZACHSA-N 0 3 255.387 2.084 10 0 CEAEHN CCN1C[C@]2(C[C@H]2N)c2cc(Br)ccc21 ZINC000725247754 539192702 /nfs/dbraw/zinc/19/27/02/539192702.db2.gz XATMWTQASIIMGN-VXGBXAGGSA-N 0 3 267.170 2.258 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CCC[C@@H](O)C2)c1C ZINC000218812706 539247845 /nfs/dbraw/zinc/24/78/45/539247845.db2.gz JMIWELCQXZFJIK-ZLKJLUDKSA-N 0 3 265.401 2.474 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCc3occc32)C1 ZINC000170830511 282198184 /nfs/dbraw/zinc/19/81/84/282198184.db2.gz GELXDBKFDBJXQX-YPMHNXCESA-N 0 3 277.368 2.003 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000247081736 282200204 /nfs/dbraw/zinc/20/02/04/282200204.db2.gz CZYPDUAQTVRFPF-UTUOFQBUSA-N 0 3 294.345 2.231 10 0 CEAEHN CCOc1ccc([C@@H](C)NC[C@@H]2CN(CC)CCO2)cc1 ZINC000223622119 539268532 /nfs/dbraw/zinc/26/85/32/539268532.db2.gz QRVSMPBXIDQRJP-RHSMWYFYSA-N 0 3 292.423 2.457 10 0 CEAEHN C[C@@H](NC[C@@H](O)Cn1cccn1)c1ccc(Cl)s1 ZINC000042587552 362104552 /nfs/dbraw/zinc/10/45/52/362104552.db2.gz MIFSPVBCBDUFOM-NXEZZACHSA-N 0 3 285.800 2.310 10 0 CEAEHN CN1C[C@@H](CO)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000000487953 343350550 /nfs/dbraw/zinc/35/05/50/343350550.db2.gz UFKTZIXVYHGAES-PSOPSSQASA-N 0 3 256.349 2.120 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000082287423 282260886 /nfs/dbraw/zinc/26/08/86/282260886.db2.gz GGXFOVZVIVJNES-HNNXBMFYSA-N 0 3 272.392 2.271 10 0 CEAEHN COc1cc(OC)c(OC)cc1CN[C@H]1CCC[C@H](O)C1 ZINC000037164490 343426169 /nfs/dbraw/zinc/42/61/69/343426169.db2.gz DMWVXVNQGQQWRM-STQMWFEESA-N 0 3 295.379 2.106 10 0 CEAEHN Cc1cc(Nc2cnn(CCN3CCCCC3)c2)ncn1 ZINC000092978329 344209492 /nfs/dbraw/zinc/20/94/92/344209492.db2.gz KMKRTQYZHFGOPF-UHFFFAOYSA-N 0 3 286.383 2.211 10 0 CEAEHN CCOC(CN)(OCC)c1ccnc(NC(C)C)c1 ZINC000114540864 344280450 /nfs/dbraw/zinc/28/04/50/344280450.db2.gz BMAYDZQORFPELM-UHFFFAOYSA-N 0 3 267.373 2.086 10 0 CEAEHN C[C@](N)(CCO)c1cc(Br)c(F)cc1F ZINC000116129332 344285428 /nfs/dbraw/zinc/28/54/28/344285428.db2.gz RQSCZHOLHSHJQO-JTQLQIEISA-N 0 3 280.112 2.284 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cc(C)ccc2C)C1 ZINC000134435546 344373905 /nfs/dbraw/zinc/37/39/05/344373905.db2.gz CKKZADXQCIMLFQ-INIZCTEOSA-N 0 3 262.397 2.114 10 0 CEAEHN NC(=O)c1ccccc1[C@H]1NCCc2ccccc21 ZINC000165488105 344474294 /nfs/dbraw/zinc/47/42/94/344474294.db2.gz VAMDMRKHKPRFQT-HNNXBMFYSA-N 0 3 252.317 2.021 10 0 CEAEHN CC(C)(N)C(=O)Cc1ccc(F)cc1Br ZINC000168662511 344480809 /nfs/dbraw/zinc/48/08/09/344480809.db2.gz CFWVXVUMCNPFOJ-UHFFFAOYSA-N 0 3 274.133 2.437 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)COc2cccc3ccccc32)C1 ZINC000170861776 344491669 /nfs/dbraw/zinc/49/16/69/344491669.db2.gz IVCFKNOEVUAHIE-HNNXBMFYSA-N 0 3 298.386 2.381 10 0 CEAEHN Cc1cccc(CCC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170857070 344491677 /nfs/dbraw/zinc/49/16/77/344491677.db2.gz SFHMZNTYQWHRHD-OAHLLOKOSA-N 0 3 260.381 2.090 10 0 CEAEHN COC[C@@H](N)c1ccc(F)c(F)c1Br ZINC000229826655 344569115 /nfs/dbraw/zinc/56/91/15/344569115.db2.gz ASLUBBLJXSQXGP-SSDOTTSWSA-N 0 3 266.085 2.374 10 0 CEAEHN COc1ccc(CN2CCC[C@@H]2CCCO)cc1OC ZINC000052762143 362473943 /nfs/dbraw/zinc/47/39/43/362473943.db2.gz BWQBSDCBKUGHQB-CQSZACIVSA-N 0 3 279.380 2.441 10 0 CEAEHN CC(C)CN(CC(C)C)C(=O)CN1CCC[C@@H]1CCCO ZINC000052761937 362474263 /nfs/dbraw/zinc/47/42/63/362474263.db2.gz MOUDVGRMDVHYLA-MRXNPFEDSA-N 0 3 298.471 2.364 10 0 CEAEHN Nc1cccc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000306869213 344718496 /nfs/dbraw/zinc/71/84/96/344718496.db2.gz SJFVJIQFLPAAKI-CQSZACIVSA-N 0 3 268.364 2.350 10 0 CEAEHN Nc1ccc(N[C@@H]2CCCN(Cc3ccncc3)CC2)cn1 ZINC000328625300 344756111 /nfs/dbraw/zinc/75/61/11/344756111.db2.gz CYJPPMGBSGATPD-OAHLLOKOSA-N 0 3 297.406 2.356 10 0 CEAEHN OCCN1CCC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000384687545 344829098 /nfs/dbraw/zinc/82/90/98/344829098.db2.gz HUBPURWVOZNGHM-GFCCVEGCSA-N 0 3 286.778 2.025 10 0 CEAEHN O=[N+]([O-])c1cc(Cl)ccc1NC1CCN(CCO)CC1 ZINC000398989582 344856227 /nfs/dbraw/zinc/85/62/27/344856227.db2.gz JOQDHXOKARYAJP-UHFFFAOYSA-N 0 3 299.758 2.117 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000054074916 362510379 /nfs/dbraw/zinc/51/03/79/362510379.db2.gz QKMCQQPAQFAGBJ-RKDXNWHRSA-N 0 3 256.296 2.092 10 0 CEAEHN CN[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000054075016 362510519 /nfs/dbraw/zinc/51/05/19/362510519.db2.gz ZIPZVJLJTWUFHR-SNVBAGLBSA-N 0 3 266.772 2.439 10 0 CEAEHN CN(C)C[C@@H](NC(=O)C1=COCCC1)c1ccccc1 ZINC000107437898 232196237 /nfs/dbraw/zinc/19/62/37/232196237.db2.gz AGQQTWCKKVEJJO-OAHLLOKOSA-N 0 3 274.364 2.100 10 0 CEAEHN COC[C@@H](C)[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000057942683 362602475 /nfs/dbraw/zinc/60/24/75/362602475.db2.gz CBWJFYRMDKAIJD-MRVPVSSYSA-N 0 3 274.158 2.279 10 0 CEAEHN CCCN[C@H](Cc1ncnn1C)c1snnc1C(C)C ZINC000097275419 185576978 /nfs/dbraw/zinc/57/69/78/185576978.db2.gz PBNRWCDZEZVOFK-SNVBAGLBSA-N 0 3 294.428 2.073 10 0 CEAEHN CCN[C@@H](Cc1ncnn1C)c1ccc(C(F)(F)F)cn1 ZINC000097275478 185577193 /nfs/dbraw/zinc/57/71/93/185577193.db2.gz KQYSKAGGZMMRRK-NSHDSACASA-N 0 3 299.300 2.122 10 0 CEAEHN O[C@H](CNc1ccc2ccccc2n1)CN1CCCCC1 ZINC000174684381 232296969 /nfs/dbraw/zinc/29/69/69/232296969.db2.gz CAADNQMEPIHRHM-OAHLLOKOSA-N 0 3 285.391 2.494 10 0 CEAEHN CC[C@](C)([C@@H](NN)[C@@H]1CC(C)(C)OC1(C)C)N(C)C ZINC000097583276 185630675 /nfs/dbraw/zinc/63/06/75/185630675.db2.gz LKYRWVIPNSKVGT-SLEUVZQESA-N 0 3 271.449 2.142 10 0 CEAEHN CCN[C@@](CO)(COC1CCCC1)c1ccccc1 ZINC000085282734 178999967 /nfs/dbraw/zinc/99/99/67/178999967.db2.gz LUDWJWCQQCUGRE-INIZCTEOSA-N 0 3 263.381 2.443 10 0 CEAEHN CCCN[C@](CO)(COCCC)c1ccccc1 ZINC000085286605 179004221 /nfs/dbraw/zinc/00/42/21/179004221.db2.gz HUNHNFBYKYBPFO-OAHLLOKOSA-N 0 3 251.370 2.300 10 0 CEAEHN CCCN[C@](CO)(CSCCOC)c1ccccc1 ZINC000085298007 179009164 /nfs/dbraw/zinc/00/91/64/179009164.db2.gz KSDYZZOJYYETRT-OAHLLOKOSA-N 0 3 283.437 2.253 10 0 CEAEHN N[C@H]1COC[C@H]1c1nc2cccc(Cl)c2s1 ZINC000085352956 179029835 /nfs/dbraw/zinc/02/98/35/179029835.db2.gz BKMOBPAEGZZCRA-SVRRBLITSA-N 0 3 254.742 2.391 10 0 CEAEHN CCN(CC)CCc1nc(C)c(Br)c(N)n1 ZINC000085459061 179068029 /nfs/dbraw/zinc/06/80/29/179068029.db2.gz YVYVVENMRIZCBB-UHFFFAOYSA-N 0 3 287.205 2.014 10 0 CEAEHN CC(C)OCCN1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000085504274 179084112 /nfs/dbraw/zinc/08/41/12/179084112.db2.gz HPWHKHKKJUBHLU-GOEBONIOSA-N 0 3 262.397 2.446 10 0 CEAEHN Cc1oncc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128941545 365812259 /nfs/dbraw/zinc/81/22/59/365812259.db2.gz NEJIVJBCGNVIQQ-KGLIPLIRSA-N 0 3 250.342 2.110 10 0 CEAEHN CCC[C@@H](N)C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000236901172 370649386 /nfs/dbraw/zinc/64/93/86/370649386.db2.gz HNFYJEWUCFKUTO-ZIAGYGMSSA-N 0 3 268.401 2.064 10 0 CEAEHN O=C(CNC[C@H]1CCCC[C@H]1O)Nc1c(F)cccc1F ZINC000085986713 179212336 /nfs/dbraw/zinc/21/23/36/179212336.db2.gz IFHWSBJYXWQYDL-ZWNOBZJWSA-N 0 3 298.333 2.044 10 0 CEAEHN CN1CCC=C(CCNC(=O)Cc2ccc(F)cc2)C1 ZINC000065421453 362819837 /nfs/dbraw/zinc/81/98/37/362819837.db2.gz HDEZMMOJGPTNCU-UHFFFAOYSA-N 0 3 276.355 2.136 10 0 CEAEHN N[C@@H](c1csc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086020171 179218245 /nfs/dbraw/zinc/21/82/45/179218245.db2.gz RMAPDAHBOYUOLE-NOZJJQNGSA-N 0 3 281.402 2.336 10 0 CEAEHN CCc1oc2ccccc2c1[C@@H](N)[C@H]1CCS(=O)(=O)C1 ZINC000086022730 179219098 /nfs/dbraw/zinc/21/90/98/179219098.db2.gz FAYRVEHJMPPYHW-BONVTDFDSA-N 0 3 293.388 2.430 10 0 CEAEHN CC(C)[C@H]1CSC(NCCc2nccs2)=N1 ZINC000086127268 179235297 /nfs/dbraw/zinc/23/52/97/179235297.db2.gz PDGPQZGIUKJTSS-SECBINFHSA-N 0 3 255.412 2.403 10 0 CEAEHN CC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(CN)c2)[C@@H]1C ZINC000086091577 179228937 /nfs/dbraw/zinc/22/89/37/179228937.db2.gz OYNPTOYOMCRTSJ-ZLDLUXBVSA-N 0 3 296.436 2.248 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(Cc2cscn2)CCN1 ZINC000086149431 179240297 /nfs/dbraw/zinc/24/02/97/179240297.db2.gz BWTRNNHOEKBKJT-HNNXBMFYSA-N 0 3 273.405 2.464 10 0 CEAEHN CN(CCN1CCCC1)c1nc(Br)cs1 ZINC000086291170 179265418 /nfs/dbraw/zinc/26/54/18/179265418.db2.gz VGMDWLRSLPSEID-UHFFFAOYSA-N 0 3 290.230 2.438 10 0 CEAEHN c1csc(CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128587395 187379239 /nfs/dbraw/zinc/37/92/39/187379239.db2.gz GKOJRURFCHMZQC-GFCCVEGCSA-N 0 3 262.382 2.252 10 0 CEAEHN C[C@H]1[C@@H](C)S(=O)(=O)c2ccc(Cl)cc2[C@@H]1N ZINC000086308935 179269107 /nfs/dbraw/zinc/26/91/07/179269107.db2.gz RZBWRKFETFZZLO-MVKOHCKWSA-N 0 3 259.758 2.152 10 0 CEAEHN CC(C)(C)NC(=O)[C@@H](CN)Cc1ccc2ccccc2n1 ZINC000086317256 179269462 /nfs/dbraw/zinc/26/94/62/179269462.db2.gz KSBFZTWZMKNXFS-CYBMUJFWSA-N 0 3 285.391 2.267 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cc(Cl)cs2)CCO1 ZINC000086333170 179273178 /nfs/dbraw/zinc/27/31/78/179273178.db2.gz WTGNENSLIYSSNN-WPRPVWTQSA-N 0 3 260.790 2.122 10 0 CEAEHN CC(C)CN1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086443967 179293754 /nfs/dbraw/zinc/29/37/54/179293754.db2.gz RWVJCGAVMVLVQM-LBPRGKRZSA-N 0 3 294.468 2.257 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2scnc2C)[C@H](CC)CN1 ZINC000086448143 179295813 /nfs/dbraw/zinc/29/58/13/179295813.db2.gz ZGKQUMOEDDPVJN-GHMZBOCLSA-N 0 3 267.398 2.054 10 0 CEAEHN CC1(C)COCCN1c1nc2c(s1)CCC[C@@H]2N ZINC000086443851 179294260 /nfs/dbraw/zinc/29/42/60/179294260.db2.gz ZERYTIWYMGYFII-VIFPVBQESA-N 0 3 267.398 2.094 10 0 CEAEHN CN(C[C@H]1CCCOC1)c1nc2c(s1)CCC[C@@H]2N ZINC000086444209 179294860 /nfs/dbraw/zinc/29/48/60/179294860.db2.gz ZBDXQCQCXHAWQI-MNOVXSKESA-N 0 3 281.425 2.342 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1nc2c(s1)CCC[C@@H]2O ZINC000086444741 179294927 /nfs/dbraw/zinc/29/49/27/179294927.db2.gz CZGKXKFNSBAJKD-MNOVXSKESA-N 0 3 281.425 2.043 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc2c(c1)CCO2 ZINC000086447444 179295566 /nfs/dbraw/zinc/29/55/66/179295566.db2.gz KRULSTGKVMBQQJ-LSDHHAIUSA-N 0 3 288.391 2.224 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cc(C)oc2C)[C@@H](CC)CN1 ZINC000086447252 179295727 /nfs/dbraw/zinc/29/57/27/179295727.db2.gz ANTDOWBPJQHMNN-STQMWFEESA-N 0 3 264.369 2.499 10 0 CEAEHN CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)[C@@H](CC)CN1 ZINC000086447811 179295877 /nfs/dbraw/zinc/29/58/77/179295877.db2.gz GBIHDVUYDCHLLY-ILXRZTDVSA-N 0 3 282.428 2.325 10 0 CEAEHN N=C(N)c1c(F)cccc1Sc1nncs1 ZINC000086477295 179300454 /nfs/dbraw/zinc/30/04/54/179300454.db2.gz CIBQETSJZJLGCA-UHFFFAOYSA-N 0 3 254.315 2.112 10 0 CEAEHN CNC(=O)[C@@H]1C[C@@H](c2cc(C)c(C)cc2C)CCN1 ZINC000086492920 179302655 /nfs/dbraw/zinc/30/26/55/179302655.db2.gz UCJGGKQZINJPQW-ZFWWWQNUSA-N 0 3 260.381 2.193 10 0 CEAEHN COc1ccc([C@H]2[C@@H](CN)OCCN2C2CC2)cc1Cl ZINC000086585002 179310451 /nfs/dbraw/zinc/31/04/51/179310451.db2.gz VYWCGGGKRLSYDZ-CABCVRRESA-N 0 3 296.798 2.212 10 0 CEAEHN C[C@H](CO)CN[C@H](c1ccccc1)c1ccncc1 ZINC000086627950 179313668 /nfs/dbraw/zinc/31/36/68/179313668.db2.gz BYCVAYZNLFNSBZ-XJKSGUPXSA-N 0 3 256.349 2.389 10 0 CEAEHN COc1cccc([C@@H](C)N[C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674892 179318894 /nfs/dbraw/zinc/31/88/94/179318894.db2.gz UWZXDVXQLNRFPH-DFBGVHRSSA-N 0 3 297.420 2.312 10 0 CEAEHN C[C@H](Cc1ccc(F)cc1)N[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675997 179318958 /nfs/dbraw/zinc/31/89/58/179318958.db2.gz PHLDTZGYUQSLHU-UGFHNGPFSA-N 0 3 299.411 2.312 10 0 CEAEHN CC[N@@H+]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000086839557 179351710 /nfs/dbraw/zinc/35/17/10/179351710.db2.gz CJZXPLKAJHZDCK-CYBMUJFWSA-N 0 3 286.383 2.153 10 0 CEAEHN CC[N@H+]1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000086839557 179351713 /nfs/dbraw/zinc/35/17/13/179351713.db2.gz CJZXPLKAJHZDCK-CYBMUJFWSA-N 0 3 286.383 2.153 10 0 CEAEHN CC[N@@H+]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000086839557 179351714 /nfs/dbraw/zinc/35/17/14/179351714.db2.gz CJZXPLKAJHZDCK-CYBMUJFWSA-N 0 3 286.383 2.153 10 0 CEAEHN CC[N@H+]1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000086839557 179351716 /nfs/dbraw/zinc/35/17/16/179351716.db2.gz CJZXPLKAJHZDCK-CYBMUJFWSA-N 0 3 286.383 2.153 10 0 CEAEHN COC(=O)C[C@@](C)(N)c1ccccc1Br ZINC000086851292 179359491 /nfs/dbraw/zinc/35/94/91/179359491.db2.gz FKSXAZZGUKNBIA-LLVKDONJSA-N 0 3 272.142 2.186 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869137 179362657 /nfs/dbraw/zinc/36/26/57/179362657.db2.gz GSVXWWDONUNOLU-GDBMZVCRSA-N 0 3 282.428 2.438 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869137 179362659 /nfs/dbraw/zinc/36/26/59/179362659.db2.gz GSVXWWDONUNOLU-GDBMZVCRSA-N 0 3 282.428 2.438 10 0 CEAEHN CC[N@H+](CCC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868860 179362784 /nfs/dbraw/zinc/36/27/84/179362784.db2.gz OQGHWKLZNYBDFN-CYBMUJFWSA-N 0 3 256.390 2.046 10 0 CEAEHN CC[N@@H+](CCC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868860 179362786 /nfs/dbraw/zinc/36/27/86/179362786.db2.gz OQGHWKLZNYBDFN-CYBMUJFWSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851779 179358905 /nfs/dbraw/zinc/35/89/05/179358905.db2.gz RWIQTPXBVPRBMI-HNNXBMFYSA-N 0 3 280.416 2.417 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@@](C)(O)CC)c1C ZINC000087013787 179379803 /nfs/dbraw/zinc/37/98/03/179379803.db2.gz USYBOYAYRWKNOM-YGRLFVJLSA-N 0 3 253.390 2.331 10 0 CEAEHN N[C@@H]1CCCc2nc([C@H]3CSCCO3)sc21 ZINC000086989834 179374528 /nfs/dbraw/zinc/37/45/28/179374528.db2.gz XEVWICGKOLYJOL-VXNVDRBHSA-N 0 3 256.396 2.284 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1ccc(OC)c(F)c1 ZINC000086992288 179375049 /nfs/dbraw/zinc/37/50/49/179375049.db2.gz YVYYDLQUCLHPKD-CQSZACIVSA-N 0 3 284.375 2.193 10 0 CEAEHN CC[C@@](C)(O)CNCC(=O)Nc1ccccc1Cl ZINC000087027957 179381960 /nfs/dbraw/zinc/38/19/60/179381960.db2.gz YKGIQWFXGIELRQ-CYBMUJFWSA-N 0 3 270.760 2.029 10 0 CEAEHN CCC1CCC(O)(CNCc2c[nH]nc2C)CC1 ZINC000087061366 179389698 /nfs/dbraw/zinc/38/96/98/179389698.db2.gz BLLWMPYQGNDQNY-UHFFFAOYSA-N 0 3 251.374 2.139 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2ccc(OC)cc2OC)O1 ZINC000087090342 179394160 /nfs/dbraw/zinc/39/41/60/179394160.db2.gz HPADKTXUECYTIM-YGRLFVJLSA-N 0 3 251.326 2.143 10 0 CEAEHN CCOCCCNCc1cccnc1OC(C)C ZINC000087325203 179412860 /nfs/dbraw/zinc/41/28/60/179412860.db2.gz DLDXOVHAIDHXBI-UHFFFAOYSA-N 0 3 252.358 2.385 10 0 CEAEHN CCN[C@H](CC(=O)OCC)c1cccc(OC)c1 ZINC000087549066 179444740 /nfs/dbraw/zinc/44/47/40/179444740.db2.gz UZFGLBHNJRCMGN-CYBMUJFWSA-N 0 3 251.326 2.299 10 0 CEAEHN CCN[C@@](CC)(CC(=O)OC)c1ccc(OC)cc1 ZINC000087553783 179446240 /nfs/dbraw/zinc/44/62/40/179446240.db2.gz ZPLOMBOGQZNJIE-HNNXBMFYSA-N 0 3 265.353 2.473 10 0 CEAEHN CCOC(=O)c1cccc([C@H]2CNCCN2C(C)C)c1 ZINC000616637498 348543010 /nfs/dbraw/zinc/54/30/10/348543010.db2.gz NXJREXNKXTYUPJ-OAHLLOKOSA-N 0 3 276.380 2.218 10 0 CEAEHN c1ccc(CN2CCOC[C@@H](c3ccncn3)C2)cc1 ZINC000616659733 348552074 /nfs/dbraw/zinc/55/20/74/348552074.db2.gz IASZYURPVZCBHC-HNNXBMFYSA-N 0 3 269.348 2.093 10 0 CEAEHN c1ccc(CN2CCCO[C@H](c3ccncn3)C2)cc1 ZINC000616653374 348549335 /nfs/dbraw/zinc/54/93/35/348549335.db2.gz ULBAHWCIECIXTJ-INIZCTEOSA-N 0 3 269.348 2.440 10 0 CEAEHN C/C=C(/C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000616573017 348524288 /nfs/dbraw/zinc/52/42/88/348524288.db2.gz YNDLGRIKWYJKML-WJOBXRDNSA-N 0 3 276.355 2.435 10 0 CEAEHN CO[C@H]1CCCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616601896 348531389 /nfs/dbraw/zinc/53/13/89/348531389.db2.gz LPLMGYVXCAFSQG-LBPRGKRZSA-N 0 3 272.389 2.012 10 0 CEAEHN CC(=O)Nc1ccccc1[C@H]1CNCCN1C(C)(C)C ZINC000616602738 348531709 /nfs/dbraw/zinc/53/17/09/348531709.db2.gz BBUQKEYRCFKJPN-OAHLLOKOSA-N 0 3 275.396 2.390 10 0 CEAEHN c1cn([C@@H]2CCN(Cc3ccccc3)CCO2)cn1 ZINC000616664060 348554724 /nfs/dbraw/zinc/55/47/24/348554724.db2.gz MQHFWZDOJZVLKL-HNNXBMFYSA-N 0 3 257.337 2.304 10 0 CEAEHN CC[C@H](NC(=O)[C@@H]1CNCc2ccccc21)C(C)C ZINC000087618695 539651730 /nfs/dbraw/zinc/65/17/30/539651730.db2.gz YLMRDSCMZHTGRY-CABCVRRESA-N 0 3 260.381 2.424 10 0 CEAEHN CN[C@@H](C)c1c(C)nn(Cc2ncnn2CC(C)C)c1C ZINC000088622048 179641069 /nfs/dbraw/zinc/64/10/69/179641069.db2.gz ZASHLYUZTKIEAI-NSHDSACASA-N 0 3 290.415 2.076 10 0 CEAEHN CCn1cncc1COc1c(CNC)cccc1OC ZINC000090235471 179936854 /nfs/dbraw/zinc/93/68/54/179936854.db2.gz NTGQJTLQUKZXAK-UHFFFAOYSA-N 0 3 275.352 2.210 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1ccc(Cl)cc1Cl ZINC000623764895 350106617 /nfs/dbraw/zinc/10/66/17/350106617.db2.gz LJDBJVAMXSOUBQ-NEPJUHHUSA-N 0 3 276.163 2.233 10 0 CEAEHN CNCc1cccnc1N(C)Cc1scnc1C ZINC000104436088 186001415 /nfs/dbraw/zinc/00/14/15/186001415.db2.gz GYQPHQDTDYEECD-UHFFFAOYSA-N 0 3 262.382 2.202 10 0 CEAEHN C[C@]1(c2nc(-c3ccc(Cl)cc3)no2)COC[C@H]1N ZINC000090573124 180007211 /nfs/dbraw/zinc/00/72/11/180007211.db2.gz BYWCLPGYUDPPHL-MFKMUULPSA-N 0 3 279.727 2.005 10 0 CEAEHN C[C@@]1(c2nc3cc(F)ccc3n2C2CC2)COC[C@@H]1N ZINC000090571729 180007341 /nfs/dbraw/zinc/00/73/41/180007341.db2.gz SGYDVISRESMZKC-DZGCQCFKSA-N 0 3 275.327 2.126 10 0 CEAEHN C[C@@]1(c2nc(-c3cccc(Cl)c3)no2)COC[C@@H]1N ZINC000090573285 180008016 /nfs/dbraw/zinc/00/80/16/180008016.db2.gz JEQHBEYUJCRTPO-GXFFZTMASA-N 0 3 279.727 2.005 10 0 CEAEHN CCC(C)(C)C1CCC(NC(=O)[C@@]2(C)COC[C@@H]2N)CC1 ZINC000090585350 180009689 /nfs/dbraw/zinc/00/96/89/180009689.db2.gz UBVAVMBBFSMJLF-QKRUXVEJSA-N 0 3 296.455 2.461 10 0 CEAEHN CC(C)COc1ccccc1NC(=O)[C@]1(C)COC[C@@H]1N ZINC000090590041 180010050 /nfs/dbraw/zinc/01/00/50/180010050.db2.gz OXZNMWMZTRNHLL-GOEBONIOSA-N 0 3 292.379 2.024 10 0 CEAEHN C[C@@H](OC[C@@H](N)c1ccc2c(c1)OCO2)C(F)(F)F ZINC000090672243 180020890 /nfs/dbraw/zinc/02/08/90/180020890.db2.gz XQMRDBFBKIRLEX-VXNVDRBHSA-N 0 3 277.242 2.383 10 0 CEAEHN CN[C@](CO)(CO[C@H](C)C(F)(F)F)c1ccccc1 ZINC000090676025 180022646 /nfs/dbraw/zinc/02/26/46/180022646.db2.gz YKSQOMXJDRTPGN-ZYHUDNBSSA-N 0 3 277.286 2.061 10 0 CEAEHN CCCCC(=O)N1CCCSC[C@@H]1CN(C)C ZINC000090699750 180027751 /nfs/dbraw/zinc/02/77/51/180027751.db2.gz UQCRYUIDSWUDRV-LBPRGKRZSA-N 0 3 258.431 2.072 10 0 CEAEHN C/C=C/C(=O)N1CCCSC[C@@H]1CN1CCCCC1 ZINC000090701292 180027801 /nfs/dbraw/zinc/02/78/01/180027801.db2.gz BOERPMNQJLDSHV-NOYTZHBZSA-N 0 3 282.453 2.383 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)c1ccc(F)cc1 ZINC000090699848 180027916 /nfs/dbraw/zinc/02/79/16/180027916.db2.gz QMRSUDLAFDFNDX-CQSZACIVSA-N 0 3 296.411 2.335 10 0 CEAEHN CCOc1cc(N[C@@H](CN(C)C)C(C)C)nc(C)n1 ZINC000090792138 180042812 /nfs/dbraw/zinc/04/28/12/180042812.db2.gz VVBCSMKRMIMBRK-LBPRGKRZSA-N 0 3 266.389 2.182 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1ccc2c(c1)OCCCO2)[S@](C)=O ZINC000090841659 180043866 /nfs/dbraw/zinc/04/38/66/180043866.db2.gz JKMAWJVUGZMOBU-JOOBJXAISA-N 0 3 297.420 2.266 10 0 CEAEHN CC(C)NCc1nccn1C[C@H]1Cc2ccccc2O1 ZINC000090876353 180051793 /nfs/dbraw/zinc/05/17/93/180051793.db2.gz FUPAAGJRDWANNA-CQSZACIVSA-N 0 3 271.364 2.385 10 0 CEAEHN CCNCc1ccn(C[C@H]2Cc3cc(F)ccc3O2)n1 ZINC000090895620 180056441 /nfs/dbraw/zinc/05/64/41/180056441.db2.gz XILXNRMMZBGGDW-CQSZACIVSA-N 0 3 275.327 2.135 10 0 CEAEHN OCCN(C[C@@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090900902 180058532 /nfs/dbraw/zinc/05/85/32/180058532.db2.gz LBJBWYIFLYZJIX-ZDUSSCGKSA-N 0 3 267.756 2.100 10 0 CEAEHN Cc1nn(C[C@H]2Cc3cc(C)ccc3O2)c(C)c1CN ZINC000090900407 180059205 /nfs/dbraw/zinc/05/92/05/180059205.db2.gz FSCSRGHCGXRTOB-CQSZACIVSA-N 0 3 271.364 2.271 10 0 CEAEHN CC(C)CNCc1occc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907879 180062435 /nfs/dbraw/zinc/06/24/35/180062435.db2.gz TXYRQTCATHJAQF-GASCZTMLSA-N 0 3 278.396 2.388 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H](C)Cn1ccnc1 ZINC000090960112 180075291 /nfs/dbraw/zinc/07/52/91/180075291.db2.gz ODTSXBPOZJOBDS-SNVBAGLBSA-N 0 3 278.381 2.081 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H]1CCC[C@@H](O)C1 ZINC000090960131 180075708 /nfs/dbraw/zinc/07/57/08/180075708.db2.gz JWCIYKIVCMYMMX-WDEREUQCSA-N 0 3 268.382 2.100 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)NC[C@H]1Cc2ccccc21 ZINC000090992599 180082503 /nfs/dbraw/zinc/08/25/03/180082503.db2.gz KZCUTKFSXXMKMR-TZMCWYRMSA-N 0 3 260.381 2.173 10 0 CEAEHN CCCn1ccc(CNCCC(=O)N[C@H](C)CC)c1 ZINC000091012630 180086336 /nfs/dbraw/zinc/08/63/36/180086336.db2.gz MIVPKEZORWGURZ-CYBMUJFWSA-N 0 3 265.401 2.293 10 0 CEAEHN CC(C)n1c(C[C@@H]2CSCCN2)nc2cccnc21 ZINC000091128712 180100565 /nfs/dbraw/zinc/10/05/65/180100565.db2.gz DYYBHNSGNUSZEJ-LLVKDONJSA-N 0 3 276.409 2.260 10 0 CEAEHN Cc1ccc([C@H](NCC[S@](C)=O)C2CC2)cc1 ZINC000091341690 180137300 /nfs/dbraw/zinc/13/73/00/180137300.db2.gz WYKWUIQGDMUYLK-WMLDXEAASA-N 0 3 251.395 2.414 10 0 CEAEHN CN(Cc1ccccc1)[C@@H](CN)c1cncn1C1CC1 ZINC000091276192 180119581 /nfs/dbraw/zinc/11/95/81/180119581.db2.gz BKBUEQGKBMFXLP-HNNXBMFYSA-N 0 3 270.380 2.350 10 0 CEAEHN CCCn1c(C[C@@H]2CNCCO2)nc2c1cccc2F ZINC000091293287 180124193 /nfs/dbraw/zinc/12/41/93/180124193.db2.gz RZHSJOWNEROFOV-LLVKDONJSA-N 0 3 277.343 2.116 10 0 CEAEHN Clc1ccc2oc(C[C@H]3CNCCO3)nc2c1 ZINC000091295230 180124750 /nfs/dbraw/zinc/12/47/50/180124750.db2.gz LPUIEIPKYNHOOR-VIFPVBQESA-N 0 3 252.701 2.012 10 0 CEAEHN CCNc1ccccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000091428293 180153197 /nfs/dbraw/zinc/15/31/97/180153197.db2.gz JXIPFMNILNDOLU-ZDUSSCGKSA-N 0 3 275.396 2.285 10 0 CEAEHN COCCNC[C@@H](O)Cc1c(Cl)cccc1Cl ZINC000091467716 180164331 /nfs/dbraw/zinc/16/43/31/180164331.db2.gz HIXXCEJUZFWRQR-VIFPVBQESA-N 0 3 278.179 2.133 10 0 CEAEHN CN(C)[C@@H]1CCCN(CC(=O)c2ccc(F)cc2F)C1 ZINC000091395581 180146404 /nfs/dbraw/zinc/14/64/04/180146404.db2.gz LANITUDOUBICNH-GFCCVEGCSA-N 0 3 282.334 2.174 10 0 CEAEHN CN(C)[C@H]1CCCN(C(=O)c2cc3cc(N)ccc3o2)C1 ZINC000091394413 180146686 /nfs/dbraw/zinc/14/66/86/180146686.db2.gz PYKJIWAENGJPRD-ZDUSSCGKSA-N 0 3 287.363 2.181 10 0 CEAEHN CCNCc1cncc(N2CCc3ccccc32)n1 ZINC000091418789 180150161 /nfs/dbraw/zinc/15/01/61/180150161.db2.gz RLZFUIFTNAVJIG-UHFFFAOYSA-N 0 3 254.337 2.280 10 0 CEAEHN Cc1nn(-c2cncc(CNCC(C)C)n2)cc1Cl ZINC000091422584 180151532 /nfs/dbraw/zinc/15/15/32/180151532.db2.gz MHCNCEXQYVQKND-UHFFFAOYSA-N 0 3 279.775 2.370 10 0 CEAEHN CC(C)([C@H](N)c1ccc(F)c(F)c1F)N1CCOCC1 ZINC000091566325 180193980 /nfs/dbraw/zinc/19/39/80/180193980.db2.gz ULMGAGWAKSRPKW-CYBMUJFWSA-N 0 3 288.313 2.215 10 0 CEAEHN CCOc1ccccc1[C@H](NC)C(C)(C)N1CCOCC1 ZINC000091566706 180195013 /nfs/dbraw/zinc/19/50/13/180195013.db2.gz LFFFGKKCQZWBCF-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H](c1ccco1)C(C)(C)N1CCOCC1 ZINC000091566912 180195154 /nfs/dbraw/zinc/19/51/54/180195154.db2.gz LKXHSPUSRYRCBK-ZDUSSCGKSA-N 0 3 252.358 2.041 10 0 CEAEHN C[C@H](CN1CCOCC1)N1CCC[C@@H]1c1ccco1 ZINC000091578403 180198262 /nfs/dbraw/zinc/19/82/62/180198262.db2.gz BIDMRMBOAFWLQB-ZIAGYGMSSA-N 0 3 264.369 2.137 10 0 CEAEHN CC(C)c1nn(C)c(N[C@H](C)CN2CCCCC2)c1N ZINC000091584026 180199626 /nfs/dbraw/zinc/19/96/26/180199626.db2.gz WDKVUBZBYQJWFD-GFCCVEGCSA-N 0 3 279.432 2.412 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cccc(C)c1)N1CCOCC1 ZINC000091611855 180206274 /nfs/dbraw/zinc/20/62/74/180206274.db2.gz HUGCNYJHZDVZMW-HOTGVXAUSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccccc1OC)N1CCOCC1 ZINC000091611635 180206350 /nfs/dbraw/zinc/20/63/50/180206350.db2.gz GUYZWWOGEOVYER-HOTGVXAUSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCN[C@@H](c1cncnc1)[C@](C)(CC)N1CCOCC1 ZINC000091613091 180207737 /nfs/dbraw/zinc/20/77/37/180207737.db2.gz KKROAHNKOUHJAU-HOTGVXAUSA-N 0 3 292.427 2.018 10 0 CEAEHN CCCN[C@@H](c1cnccn1)[C@](C)(CC)N1CCOCC1 ZINC000091613099 180208328 /nfs/dbraw/zinc/20/83/28/180208328.db2.gz IEUSQAMPKPUTIC-HOTGVXAUSA-N 0 3 292.427 2.018 10 0 CEAEHN CCCN[C@H](c1nccn1CC)C(C)(C)N(C)C ZINC000091529547 180180654 /nfs/dbraw/zinc/18/06/54/180180654.db2.gz MWMLTMAJNMGXID-GFCCVEGCSA-N 0 3 252.406 2.284 10 0 CEAEHN CCCn1ccnc1[C@@H](N)C1(N(C)C)CCCC1 ZINC000091637419 180212203 /nfs/dbraw/zinc/21/22/03/180212203.db2.gz IJAWQTNEARIKHJ-GFCCVEGCSA-N 0 3 250.390 2.167 10 0 CEAEHN O=C([C@H]1CCOC1)C1(N2CCCCC2)CCCC1 ZINC000091641462 180213233 /nfs/dbraw/zinc/21/32/33/180213233.db2.gz OVQHSNUVQDICMN-ZDUSSCGKSA-N 0 3 251.370 2.391 10 0 CEAEHN N[C@H](c1ccc(F)cc1)C1(N2CCOCC2)CCCC1 ZINC000091643018 180214076 /nfs/dbraw/zinc/21/40/76/180214076.db2.gz QLOGAUVTWOEDPP-OAHLLOKOSA-N 0 3 278.371 2.471 10 0 CEAEHN CN[C@H](c1nccn1C)C1(N(C)C)CCCCCC1 ZINC000091654453 180216820 /nfs/dbraw/zinc/21/68/20/180216820.db2.gz DRDSTJBJFXSFFR-CYBMUJFWSA-N 0 3 264.417 2.335 10 0 CEAEHN CCN1CCC[C@H]1CNc1nc(Cl)ncc1C ZINC000091658221 180218380 /nfs/dbraw/zinc/21/83/80/180218380.db2.gz BOGBNBDJVYEVGS-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN c1cnc2c(c1)CCC[C@H]2N[C@H]1CN2CCC1CC2 ZINC000091660181 180218718 /nfs/dbraw/zinc/21/87/18/180218718.db2.gz SOYQUNZWYPMMTH-CABCVRRESA-N 0 3 257.381 2.143 10 0 CEAEHN Cc1cnc(Cl)nc1N[C@H]1CCN(C2CC2)C1 ZINC000091658769 180219059 /nfs/dbraw/zinc/21/90/59/180219059.db2.gz KJJOKJZOIFAZMZ-VIFPVBQESA-N 0 3 252.749 2.087 10 0 CEAEHN CCCN[C@@H](c1cccs1)[C@@H]1CN(C)CCO1 ZINC000091719538 180234400 /nfs/dbraw/zinc/23/44/00/180234400.db2.gz WKPLMHNIAGTBPN-WCQYABFASA-N 0 3 254.399 2.119 10 0 CEAEHN CCCN[C@@H](c1ccccc1OCC)[C@@H]1CN(C)CCO1 ZINC000091719442 180234487 /nfs/dbraw/zinc/23/44/87/180234487.db2.gz PAGVVOGYCFCLFU-IRXDYDNUSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@H](c1cccc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719205 180234633 /nfs/dbraw/zinc/23/46/33/180234633.db2.gz YCTDZZWNFQSUGW-HZPDHXFCSA-N 0 3 262.397 2.366 10 0 CEAEHN CN[C@H](c1ccc(OC)cc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721511 180238860 /nfs/dbraw/zinc/23/88/60/180238860.db2.gz BCSJASNYULCCIC-KBRIMQKVSA-N 0 3 290.407 2.127 10 0 CEAEHN CCc1ccc(-c2nnc(CCNCCOC)s2)o1 ZINC000091777742 180251741 /nfs/dbraw/zinc/25/17/41/180251741.db2.gz FJPXYLMBRAJHMP-UHFFFAOYSA-N 0 3 281.381 2.139 10 0 CEAEHN CCc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2N)o1 ZINC000091777301 180251751 /nfs/dbraw/zinc/25/17/51/180251751.db2.gz QVJBWHUCALCEMY-UKRRQHHQSA-N 0 3 270.332 2.197 10 0 CEAEHN C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CC1CC[NH+](C)CC1 ZINC000091782518 180254835 /nfs/dbraw/zinc/25/48/35/180254835.db2.gz SBUAJOFHEZUXBQ-NSHDSACASA-N 0 3 280.368 2.312 10 0 CEAEHN CCNCc1sc([C@@H]2CN3CCC[C@@H]3CO2)nc1C ZINC000091723129 180242145 /nfs/dbraw/zinc/24/21/45/180242145.db2.gz PVILBYSFMCZIRY-NEPJUHHUSA-N 0 3 281.425 2.097 10 0 CEAEHN CCNCc1ncoc1-c1cc(OC)ccc1OC ZINC000091957753 180292425 /nfs/dbraw/zinc/29/24/25/180292425.db2.gz JPYIDTXHEAAMDS-UHFFFAOYSA-N 0 3 262.309 2.468 10 0 CEAEHN Cc1ccc(O[C@@H]2CCC[C@H]2O)c(CNC(C)C)n1 ZINC000091995529 180301917 /nfs/dbraw/zinc/30/19/17/180301917.db2.gz QGZJWEPFCKQJQZ-UKRRQHHQSA-N 0 3 264.369 2.180 10 0 CEAEHN Cc1cccc(C(=O)CN2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000092002107 180304212 /nfs/dbraw/zinc/30/42/12/180304212.db2.gz JKMYDNLOAYLMDX-CVEARBPZSA-N 0 3 272.392 2.346 10 0 CEAEHN CNc1c(F)cccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092023885 180308471 /nfs/dbraw/zinc/30/84/71/180308471.db2.gz ADJSBHYFBXWCGY-NEPJUHHUSA-N 0 3 291.370 2.176 10 0 CEAEHN Cc1ccc(N)cc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000092080567 180318879 /nfs/dbraw/zinc/31/88/79/180318879.db2.gz SHGXKJOFYDVFHA-XQQFMLRXSA-N 0 3 275.396 2.492 10 0 CEAEHN C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(N)c2)C[C@H]1C ZINC000092080956 180319814 /nfs/dbraw/zinc/31/98/14/180319814.db2.gz ADRUKGNCRBWESZ-NXEZZACHSA-N 0 3 281.787 2.449 10 0 CEAEHN CNCc1c(N2C[C@H](C)[C@H](C)C2)nc2sccn12 ZINC000092086487 180320404 /nfs/dbraw/zinc/32/04/04/180320404.db2.gz IRHCMQCFKSYCPV-AOOOYVTPSA-N 0 3 264.398 2.207 10 0 CEAEHN CNCc1cnn(C[C@H]2Cc3ccccc3S2)c1 ZINC000092271203 180355446 /nfs/dbraw/zinc/35/54/46/180355446.db2.gz ACSYUYBBMQFLHP-CYBMUJFWSA-N 0 3 259.378 2.320 10 0 CEAEHN CNCc1ccn(C[C@@H]2CSc3ccccc32)n1 ZINC000092295451 180358538 /nfs/dbraw/zinc/35/85/38/180358538.db2.gz KXNVKZARHGVZGR-LLVKDONJSA-N 0 3 259.378 2.492 10 0 CEAEHN CCOC(=O)[C@@H]1CCCN(C[C@@H]2COc3ccccc32)C1 ZINC000092305655 180360560 /nfs/dbraw/zinc/36/05/60/180360560.db2.gz RSRVGZICGCJEPB-ZIAGYGMSSA-N 0 3 289.375 2.438 10 0 CEAEHN CC(=O)C1CCN(C[C@H]2COc3ccccc32)CC1 ZINC000092301870 180359545 /nfs/dbraw/zinc/35/95/45/180359545.db2.gz FXDDLKYMSCSYTB-AWEZNQCLSA-N 0 3 259.349 2.464 10 0 CEAEHN C[C@H](c1ccc(F)cc1F)N1CCO[C@H](CN(C)C)C1 ZINC000105924276 186091526 /nfs/dbraw/zinc/09/15/26/186091526.db2.gz GPYUIEOHEBRRFO-DGCLKSJQSA-N 0 3 284.350 2.288 10 0 CEAEHN CC(C)Oc1ccccc1CN1CCO[C@@H](CN(C)C)C1 ZINC000105923929 186091579 /nfs/dbraw/zinc/09/15/79/186091579.db2.gz SOPMVUJDEHHSEY-INIZCTEOSA-N 0 3 292.423 2.236 10 0 CEAEHN COc1ccc2c(c1)[C@H](NCC(OC)OC)CCC2 ZINC000092383682 180372981 /nfs/dbraw/zinc/37/29/81/180372981.db2.gz YPMVUPKJLVRNQK-CQSZACIVSA-N 0 3 265.353 2.281 10 0 CEAEHN Cc1nn(C)c(C)c1CNC[C@@H]1Cc2cc(F)ccc2O1 ZINC000092330990 180364571 /nfs/dbraw/zinc/36/45/71/180364571.db2.gz REERDTYQIFCXPK-AWEZNQCLSA-N 0 3 289.354 2.269 10 0 CEAEHN CC[C@@H]1CN(Cc2ccccc2F)CCN1CCOC ZINC000106113390 186102767 /nfs/dbraw/zinc/10/27/67/186102767.db2.gz TTYZOLWKKXVPJI-OAHLLOKOSA-N 0 3 280.387 2.368 10 0 CEAEHN Cc1cnn(C[C@@H]2CN(CC3CCCCC3)CCO2)c1 ZINC000106194277 186103821 /nfs/dbraw/zinc/10/38/21/186103821.db2.gz OSQMHYHTCYTFHA-INIZCTEOSA-N 0 3 277.412 2.473 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1cccc(NC)n1 ZINC000092369653 180370133 /nfs/dbraw/zinc/37/01/33/180370133.db2.gz HMEJZGKIAGCPHG-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN COC(=O)CCN[C@H]1CCCc2ccc(OC)cc21 ZINC000092383501 180372836 /nfs/dbraw/zinc/37/28/36/180372836.db2.gz ZYUQQBIEYOZCFA-AWEZNQCLSA-N 0 3 263.337 2.225 10 0 CEAEHN CCCNc1ccnc(CN(CCC)CC(=O)N(C)C)c1 ZINC000092418938 180382012 /nfs/dbraw/zinc/38/20/12/180382012.db2.gz GHRINFGZGMUKNF-UHFFFAOYSA-N 0 3 292.427 2.204 10 0 CEAEHN Cc1cccc(COc2ccc3c(c2)OC[C@@H]3N)n1 ZINC000092427678 180383848 /nfs/dbraw/zinc/38/38/48/180383848.db2.gz XIYPZRLCZQYQRE-AWEZNQCLSA-N 0 3 256.305 2.361 10 0 CEAEHN CCCOCCO[C@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092386824 180373626 /nfs/dbraw/zinc/37/36/26/180373626.db2.gz SEGWJKLDCYGKRA-HOTGVXAUSA-N 0 3 279.380 2.453 10 0 CEAEHN CCOCCO[C@@H]1CCc2ccc(OC)cc2[C@H]1N ZINC000092386397 180373818 /nfs/dbraw/zinc/37/38/18/180373818.db2.gz QCUHETCOTWIWFH-HUUCEWRRSA-N 0 3 265.353 2.063 10 0 CEAEHN CNC(=O)c1ccc(Cl)c(NC(=O)CNC(C)(C)C)c1 ZINC000092460688 180389793 /nfs/dbraw/zinc/38/97/93/180389793.db2.gz NDOYVCQSJAXGTC-UHFFFAOYSA-N 0 3 297.786 2.026 10 0 CEAEHN COCCNCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000092495316 180396685 /nfs/dbraw/zinc/39/66/85/180396685.db2.gz HUVGSXFBVBLHLI-ZDUSSCGKSA-N 0 3 292.423 2.397 10 0 CEAEHN OC1(CN[C@@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000178634450 542250933 /nfs/dbraw/zinc/25/09/33/542250933.db2.gz IOWOPRIXMIIQKP-CYBMUJFWSA-N 0 3 297.395 2.494 10 0 CEAEHN CC(C)[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccccc1 ZINC000109041594 186240914 /nfs/dbraw/zinc/24/09/14/186240914.db2.gz PQIHKSOQDKIGQC-CQSZACIVSA-N 0 3 298.452 2.301 10 0 CEAEHN Cc1ccc([C@H](C)NCC(C)(C)NS(C)(=O)=O)c(C)c1 ZINC000109041896 186240965 /nfs/dbraw/zinc/24/09/65/186240965.db2.gz HCSIEJZDQPVKJR-ZDUSSCGKSA-N 0 3 298.452 2.282 10 0 CEAEHN COc1ccccc1NC(=S)N1CCC[C@@H]1CN(C)C ZINC000109671244 186268827 /nfs/dbraw/zinc/26/88/27/186268827.db2.gz WRABJVRKGBXQAD-GFCCVEGCSA-N 0 3 293.436 2.418 10 0 CEAEHN CN[C@@H]1CCCc2nc(-c3cccc(C)n3)ncc21 ZINC000110475616 186297922 /nfs/dbraw/zinc/29/79/22/186297922.db2.gz FTCBAWXPSWJFEE-GFCCVEGCSA-N 0 3 254.337 2.444 10 0 CEAEHN NC[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000110537941 186301604 /nfs/dbraw/zinc/30/16/04/186301604.db2.gz FDDSIXLFCMTEHK-LBPRGKRZSA-N 0 3 280.331 2.244 10 0 CEAEHN CC(C)(C)NCc1cccnc1O[C@@H]1CCOC1 ZINC000110532449 186301712 /nfs/dbraw/zinc/30/17/12/186301712.db2.gz KKHGFQMCLLAYDW-GFCCVEGCSA-N 0 3 250.342 2.137 10 0 CEAEHN NCc1cccc(NC(=O)[C@H]2COc3ccccc3C2)c1 ZINC000110539579 186302436 /nfs/dbraw/zinc/30/24/36/186302436.db2.gz FAZPIVSZTOFHMZ-CQSZACIVSA-N 0 3 282.343 2.335 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@@H]1CCCOC1 ZINC000110630234 186307228 /nfs/dbraw/zinc/30/72/28/186307228.db2.gz AHIZTAFKKMBIGE-MRVPVSSYSA-N 0 3 265.288 2.118 10 0 CEAEHN COc1ccc([C@H](CN)N2CCCC2)c(Cl)c1OC ZINC000110827309 186327179 /nfs/dbraw/zinc/32/71/79/186327179.db2.gz ZTWVGZMQYFKIFY-NSHDSACASA-N 0 3 284.787 2.453 10 0 CEAEHN CN(CC1CCCC1)c1nc2sccn2c1CN ZINC000110838942 186328932 /nfs/dbraw/zinc/32/89/32/186328932.db2.gz GSVZCTRPUMIVLP-UHFFFAOYSA-N 0 3 264.398 2.481 10 0 CEAEHN CO[C@@H]1CCC[C@@H]1NCc1n[nH]nc1-c1ccccc1 ZINC000110925350 186334002 /nfs/dbraw/zinc/33/40/02/186334002.db2.gz IVEZRZGZHCORFQ-GXTWGEPZSA-N 0 3 272.352 2.129 10 0 CEAEHN CO[C@@H]1CCC[C@@H]1NCc1[nH]nnc1-c1ccccc1 ZINC000110925350 186334003 /nfs/dbraw/zinc/33/40/03/186334003.db2.gz IVEZRZGZHCORFQ-GXTWGEPZSA-N 0 3 272.352 2.129 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1O[C@@H]1CCS(=O)(=O)C1 ZINC000110960684 186336349 /nfs/dbraw/zinc/33/63/49/186336349.db2.gz RCQVJSKREYXBJC-CHWSQXEVSA-N 0 3 297.420 2.231 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1O[C@@H](C)C(=O)NC1CC1 ZINC000110959584 186336886 /nfs/dbraw/zinc/33/68/86/186336886.db2.gz QEBRMDRPAMAKPK-RYUDHWBXSA-N 0 3 276.380 2.321 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1O[C@H]1CCOC1=O ZINC000110960782 186338196 /nfs/dbraw/zinc/33/81/96/186338196.db2.gz DQTQXWGMRJQRKB-AAEUAGOBSA-N 0 3 263.337 2.360 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2ccc(Cl)s2)CCN1C ZINC000110701627 186314910 /nfs/dbraw/zinc/31/49/10/186314910.db2.gz ASWBHIFNJYXZTK-UWVGGRQHSA-N 0 3 273.833 2.037 10 0 CEAEHN C[C@@H]([C@H](O)c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110736562 186318985 /nfs/dbraw/zinc/31/89/85/186318985.db2.gz FLTXLUCMNHSJPU-ZFWWWQNUSA-N 0 3 262.397 2.135 10 0 CEAEHN CN1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1(C)C ZINC000110760340 186322677 /nfs/dbraw/zinc/32/26/77/186322677.db2.gz BKJXLZOBTSFRSJ-UHFFFAOYSA-N 0 3 296.484 2.430 10 0 CEAEHN Cc1nc(CN)sc1-c1nc(-c2ccccc2)n[nH]1 ZINC000110791176 186324014 /nfs/dbraw/zinc/32/40/14/186324014.db2.gz AQTQDIUQQZDHKF-UHFFFAOYSA-N 0 3 271.349 2.362 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000110777773 186324668 /nfs/dbraw/zinc/32/46/68/186324668.db2.gz ULBXGDVPEJOWQT-SNVBAGLBSA-N 0 3 284.381 2.299 10 0 CEAEHN CN([C@H](CN)c1cccc(F)c1F)C1CCOCC1 ZINC000111039325 186346802 /nfs/dbraw/zinc/34/68/02/186346802.db2.gz NWNYACGFJABKLD-CYBMUJFWSA-N 0 3 270.323 2.075 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1ccc(OC)cc1OC ZINC000111117693 186354425 /nfs/dbraw/zinc/35/44/25/186354425.db2.gz ZODMZVQBIOAQCA-OAHLLOKOSA-N 0 3 296.411 2.062 10 0 CEAEHN CCOCCN(CC)c1ccc(Cl)c(CN)n1 ZINC000111123573 186355731 /nfs/dbraw/zinc/35/57/31/186355731.db2.gz HSQQNYMPIZDFMQ-UHFFFAOYSA-N 0 3 257.765 2.057 10 0 CEAEHN COc1ccc(NC(=O)c2ccc(CN)cn2)cc1C ZINC000111281859 186387722 /nfs/dbraw/zinc/38/77/22/186387722.db2.gz NPQCVCOIIJWUOI-UHFFFAOYSA-N 0 3 271.320 2.110 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN)cn2)cc1 ZINC000111281876 186387803 /nfs/dbraw/zinc/38/78/03/186387803.db2.gz ZIQOKIXLBNEEIF-LBPRGKRZSA-N 0 3 269.348 2.340 10 0 CEAEHN NCc1ccc(C(=O)Nc2ccccc2OC(F)F)nc1 ZINC000111281374 186388955 /nfs/dbraw/zinc/38/89/55/186388955.db2.gz IRIWPRNTOUHFHC-UHFFFAOYSA-N 0 3 293.273 2.394 10 0 CEAEHN Cc1c(Cl)ncnc1N[C@@H](C)CN1CCCC1 ZINC000111297503 186392518 /nfs/dbraw/zinc/39/25/18/186392518.db2.gz LNTSWDDZIFOYNH-VIFPVBQESA-N 0 3 254.765 2.335 10 0 CEAEHN O=C(C1CCN(C2CC2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000195361790 539811887 /nfs/dbraw/zinc/81/18/87/539811887.db2.gz LDXUIAVNBGDIHB-HZPDHXFCSA-N 0 3 292.423 2.031 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@H](O)C(C)C)c1C ZINC000131328109 366043198 /nfs/dbraw/zinc/04/31/98/366043198.db2.gz CAVNPSBXODLWHO-MFKMUULPSA-N 0 3 253.390 2.187 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC1CC1 ZINC000122614709 187041295 /nfs/dbraw/zinc/04/12/95/187041295.db2.gz QNBYWWPHDLLTJI-CYBMUJFWSA-N 0 3 255.406 2.014 10 0 CEAEHN CC(=O)Oc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000123245423 187080300 /nfs/dbraw/zinc/08/03/00/187080300.db2.gz WCHLOBYCOWRZQA-MRXNPFEDSA-N 0 3 288.391 2.282 10 0 CEAEHN COc1ccc([C@@H](C)NC[C@H](C)N2CCOCC2)cc1F ZINC000123306337 187083605 /nfs/dbraw/zinc/08/36/05/187083605.db2.gz WCDOTLFSJBAHTJ-QWHCGFSZSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CCCC1)c1cccc(-n2ccnc2)c1 ZINC000237493464 539852800 /nfs/dbraw/zinc/85/28/00/539852800.db2.gz AJGWMZZZGOQRFT-CYBMUJFWSA-N 0 3 298.390 2.321 10 0 CEAEHN CC(C)CCN(C(=O)COC1(C)CNC1)C1CCCC1 ZINC000098061073 539961002 /nfs/dbraw/zinc/96/10/02/539961002.db2.gz XRILHLDNRGLPAI-UHFFFAOYSA-N 0 3 282.428 2.182 10 0 CEAEHN CN(C)C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 ZINC000154216977 188130421 /nfs/dbraw/zinc/13/04/21/188130421.db2.gz UODLKSXFCMXHGX-KRWDZBQOSA-N 0 3 298.386 2.354 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cccc(F)c2F)[C@@H](C)C1 ZINC000155509850 188210975 /nfs/dbraw/zinc/21/09/75/188210975.db2.gz VCFHOTXWSDIUCA-GWCFXTLKSA-N 0 3 282.334 2.423 10 0 CEAEHN CSCC[C@H](N)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000157804000 188339244 /nfs/dbraw/zinc/33/92/44/188339244.db2.gz CIVSEHMKDCIPCU-AWEZNQCLSA-N 0 3 292.448 2.206 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCCN(C)C)cc2)O1 ZINC000132981139 366185765 /nfs/dbraw/zinc/18/57/65/366185765.db2.gz IEHWMPSMKRTQAB-DOMZBBRYSA-N 0 3 292.379 2.133 10 0 CEAEHN Cc1cc(Cl)ncc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000133068606 366192465 /nfs/dbraw/zinc/19/24/65/366192465.db2.gz UYRVKLRJOWUANL-JTQLQIEISA-N 0 3 282.775 2.211 10 0 CEAEHN Cc1ccc(C(=O)CCC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170862480 188698558 /nfs/dbraw/zinc/69/85/58/188698558.db2.gz LYMQNXATHKVNFC-HNNXBMFYSA-N 0 3 288.391 2.120 10 0 CEAEHN O=C(c1cc2c(s1)CCC2)N1CCN2CCC[C@@H]2C1 ZINC000171585149 188745370 /nfs/dbraw/zinc/74/53/70/188745370.db2.gz ZWKYXWHSMQGSNF-GFCCVEGCSA-N 0 3 276.405 2.157 10 0 CEAEHN COc1nc2ccc(Br)cc2cc1CN ZINC000675069251 540108974 /nfs/dbraw/zinc/10/89/74/540108974.db2.gz DHPNVFBDXJRHOB-UHFFFAOYSA-N 0 3 267.126 2.465 10 0 CEAEHN C[C@@H](COCc1ccccc1)NC(=O)C1CCN(C)CC1 ZINC000173367631 188852080 /nfs/dbraw/zinc/85/20/80/188852080.db2.gz HJRQZDJNAYMRAC-AWEZNQCLSA-N 0 3 290.407 2.050 10 0 CEAEHN CN[C@H](C)C(=O)N(C)Cc1csc(Br)c1 ZINC000054076668 540200616 /nfs/dbraw/zinc/20/06/16/540200616.db2.gz JRIQVRRCEGRORT-SSDOTTSWSA-N 0 3 291.214 2.077 10 0 CEAEHN CCN1CCC[C@@H](N[C@@H](C)c2ccc(F)cn2)C1 ZINC000133955740 366271131 /nfs/dbraw/zinc/27/11/31/366271131.db2.gz XVVIMHTVDNXDCY-WCQYABFASA-N 0 3 251.349 2.356 10 0 CEAEHN NCc1c(N2CCOCC2)cccc1C(F)(F)F ZINC000575602327 366298720 /nfs/dbraw/zinc/29/87/20/366298720.db2.gz YYRFIAFMOINSJZ-UHFFFAOYSA-N 0 3 260.259 2.001 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000134602176 366346141 /nfs/dbraw/zinc/34/61/41/366346141.db2.gz ACQKFEFNQPSDKJ-QMMMGPOBSA-N 0 3 288.725 2.394 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC000134795899 366361627 /nfs/dbraw/zinc/36/16/27/366361627.db2.gz TWZUDJIIUVKDDN-CQSZACIVSA-N 0 3 278.371 2.266 10 0 CEAEHN Cc1cc(CNCC2C[C@H](C)O[C@@H](C)C2)nn1C ZINC000414427875 236360386 /nfs/dbraw/zinc/36/03/86/236360386.db2.gz AFJOACPEZBSGPS-RYUDHWBXSA-N 0 3 251.374 2.022 10 0 CEAEHN CN[C@H](C)C(=O)NCc1c(Cl)cccc1Cl ZINC000578205361 366460255 /nfs/dbraw/zinc/46/02/55/366460255.db2.gz OKAHHKRZSXMYES-SSDOTTSWSA-N 0 3 261.152 2.218 10 0 CEAEHN O[C@@H]1CCC[C@H](CN2CCOc3ccccc3C2)C1 ZINC000311637848 540457598 /nfs/dbraw/zinc/45/75/98/540457598.db2.gz KHBMJEDYVPMABU-DZGCQCFKSA-N 0 3 261.365 2.432 10 0 CEAEHN C[C@@H](N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019475018 296014805 /nfs/dbraw/zinc/01/48/05/296014805.db2.gz SOPGEVJJXMXDGC-ZBZBBCKZSA-N 0 3 250.386 2.055 10 0 CEAEHN CCC[C@H](C(=O)OCC)N1CCC[C@@H]1Cn1ccnc1C ZINC000178331461 189107674 /nfs/dbraw/zinc/10/76/74/189107674.db2.gz UJUDRVBBYNQFRJ-HUUCEWRRSA-N 0 3 293.411 2.388 10 0 CEAEHN CSC[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000152020009 366683850 /nfs/dbraw/zinc/68/38/50/366683850.db2.gz CAPQIVSKQSNJQC-TZMCWYRMSA-N 0 3 295.452 2.340 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1ccc2c(c1)CCO2)N(C)C ZINC000179329358 189186385 /nfs/dbraw/zinc/18/63/85/189186385.db2.gz PTEGFXIBRQJYIC-HNNXBMFYSA-N 0 3 290.407 2.011 10 0 CEAEHN CCCOc1ccc([C@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000676234678 540907675 /nfs/dbraw/zinc/90/76/75/540907675.db2.gz JDWDPYQJRCSVBR-SMDDNHRTSA-N 0 3 262.353 2.015 10 0 CEAEHN CCCc1cnc(NC(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000180797345 189275903 /nfs/dbraw/zinc/27/59/03/189275903.db2.gz NEPNHKSCRMAABJ-JTQLQIEISA-N 0 3 282.413 2.263 10 0 CEAEHN CC[C@@H](N[C@H]1CCc2ncnn2C1)c1ccccc1F ZINC000180853466 189279687 /nfs/dbraw/zinc/27/96/87/189279687.db2.gz ACOFRWUCMNUTFG-SMDDNHRTSA-N 0 3 274.343 2.473 10 0 CEAEHN COCCCCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152552473 366703477 /nfs/dbraw/zinc/70/34/77/366703477.db2.gz QZBKIUSUXHRDLW-OAHLLOKOSA-N 0 3 264.369 2.351 10 0 CEAEHN C[C@H](CCC(C)(C)C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000153834882 366739031 /nfs/dbraw/zinc/73/90/31/366739031.db2.gz GMSPZPDGSSZUQU-KGLIPLIRSA-N 0 3 299.459 2.173 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000082284877 363758896 /nfs/dbraw/zinc/75/88/96/363758896.db2.gz OZGAKXUOLKDIST-GFCCVEGCSA-N 0 3 252.745 2.116 10 0 CEAEHN CC1CCN(Cc2cc(N)cc3c2OCOC3)CC1 ZINC000011568548 361359743 /nfs/dbraw/zinc/35/97/43/361359743.db2.gz GVPMCAFJTVKGMU-UHFFFAOYSA-N 0 3 262.353 2.367 10 0 CEAEHN N[C@@H](Cn1cccn1)c1cccc(Br)c1 ZINC000011848811 361365855 /nfs/dbraw/zinc/36/58/55/361365855.db2.gz RWWNMBNGUKOOPH-NSHDSACASA-N 0 3 266.142 2.346 10 0 CEAEHN c1csc(-c2noc(CN3CCN4CCC[C@@H]4C3)n2)c1 ZINC000022932723 361589503 /nfs/dbraw/zinc/58/95/03/361589503.db2.gz YFXLVGCCGRCHFS-LLVKDONJSA-N 0 3 290.392 2.078 10 0 CEAEHN COCc1nc(CNC[C@@H]2CCO[C@H](C)C2)cs1 ZINC000678361955 541121786 /nfs/dbraw/zinc/12/17/86/541121786.db2.gz ORDPPWKXBXZCED-GHMZBOCLSA-N 0 3 270.398 2.194 10 0 CEAEHN O=C(CCC1CCCC1)N1CCN2CCC[C@@H]2C1 ZINC000027932155 361662977 /nfs/dbraw/zinc/66/29/77/361662977.db2.gz HOQDCKRELOFZEP-CQSZACIVSA-N 0 3 250.386 2.263 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@@H]2CCC[C@@H]2O)c1C ZINC000089165118 363944220 /nfs/dbraw/zinc/94/42/20/363944220.db2.gz URQGLMICIBYECF-BPNCWPANSA-N 0 3 265.401 2.331 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H](N)c1cnc2cc[nH]c2c1 ZINC000089221488 363949933 /nfs/dbraw/zinc/94/99/33/363949933.db2.gz DSYOJAHJFWJLKE-JTQLQIEISA-N 0 3 276.340 2.087 10 0 CEAEHN CCc1noc(C)c1NC(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000093093197 364141493 /nfs/dbraw/zinc/14/14/93/364141493.db2.gz BBMORERJNXJTAD-CMPLNLGQSA-N 0 3 292.383 2.246 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(CCc2ccncc2)C1 ZINC000101565502 364561767 /nfs/dbraw/zinc/56/17/67/364561767.db2.gz RYFCIQCYHOHFOT-OAHLLOKOSA-N 0 3 275.396 2.005 10 0 CEAEHN CCc1ccc([C@@H](CNC(=O)[C@H](C)COC)N(C)C)cc1 ZINC000103428385 364652114 /nfs/dbraw/zinc/65/21/14/364652114.db2.gz ULANCMCYLOJJLB-CZUORRHYSA-N 0 3 292.423 2.250 10 0 CEAEHN COC[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000103430175 364652132 /nfs/dbraw/zinc/65/21/32/364652132.db2.gz KHIVRGSQBOFYLK-HOCLYGCPSA-N 0 3 290.407 2.050 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCCC(C)(C)C2)C1 ZINC000112745409 364840269 /nfs/dbraw/zinc/84/02/69/364840269.db2.gz RXJVCJZAURZYCG-ZDUSSCGKSA-N 0 3 267.417 2.302 10 0 CEAEHN COc1cccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000113233734 364879178 /nfs/dbraw/zinc/87/91/78/364879178.db2.gz WPDOYAMNSITUJW-TZMCWYRMSA-N 0 3 274.364 2.004 10 0 CEAEHN COCc1cccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000113229268 364879210 /nfs/dbraw/zinc/87/92/10/364879210.db2.gz HZYJSLRQGFANJU-CZUORRHYSA-N 0 3 288.391 2.142 10 0 CEAEHN COC[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114642008 364953963 /nfs/dbraw/zinc/95/39/63/364953963.db2.gz YFPGKWMSTJRNAD-GDBMZVCRSA-N 0 3 290.407 2.050 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000115361952 365002610 /nfs/dbraw/zinc/00/26/10/365002610.db2.gz UZPLAKKLTPJFJN-CQSZACIVSA-N 0 3 276.355 2.020 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000116190144 365042354 /nfs/dbraw/zinc/04/23/54/365042354.db2.gz CZYPDUAQTVRFPF-WOPDTQHZSA-N 0 3 294.345 2.231 10 0 CEAEHN CC[C@H](CC1CCCC1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116788849 365068600 /nfs/dbraw/zinc/06/86/00/365068600.db2.gz GGNGKGGSTYCOKM-CVEARBPZSA-N 0 3 296.455 2.382 10 0 CEAEHN CCCCCC[C@@H](C)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117024008 365089013 /nfs/dbraw/zinc/08/90/13/365089013.db2.gz RLRLFSHNHFRUKI-HUUCEWRRSA-N 0 3 299.459 2.317 10 0 CEAEHN CC(C)CCC[C@@H](C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117023678 365089131 /nfs/dbraw/zinc/08/91/31/365089131.db2.gz JUHQSMAZNBDVJU-CABCVRRESA-N 0 3 299.459 2.173 10 0 CEAEHN CC(=O)Nc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000119503719 365282708 /nfs/dbraw/zinc/28/27/08/365282708.db2.gz VLHXERHHPBYNFZ-INIZCTEOSA-N 0 3 299.378 2.074 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(C)s2)CCN1C[C@@H](C)O ZINC000120702949 365462407 /nfs/dbraw/zinc/46/24/07/365462407.db2.gz DZDWJLKUHCDAEY-OCCSQVGLSA-N 0 3 282.453 2.334 10 0 CEAEHN Cc1c(CNC(C)(C)CNC(=O)OC(C)(C)C)cnn1C ZINC000161941481 367123293 /nfs/dbraw/zinc/12/32/93/367123293.db2.gz VJBMYODFFMAKOC-UHFFFAOYSA-N 0 3 296.415 2.121 10 0 CEAEHN Cc1ccc(C[C@H](C)NC(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000162122176 367138592 /nfs/dbraw/zinc/13/85/92/367138592.db2.gz WZTHCUGLTQOHNZ-WCQYABFASA-N 0 3 295.452 2.333 10 0 CEAEHN CCC[C@H](C(=O)NCCc1c(F)cccc1F)N(C)C ZINC000161655785 367103929 /nfs/dbraw/zinc/10/39/29/367103929.db2.gz ITJWCNZEVBDYBV-CQSZACIVSA-N 0 3 284.350 2.354 10 0 CEAEHN C[C@@H](c1nc2ccccc2o1)N1CCO[C@@H](CN(C)C)C1 ZINC000245542994 370836311 /nfs/dbraw/zinc/83/63/11/370836311.db2.gz KOBJSHBKAUKSMY-STQMWFEESA-N 0 3 289.379 2.151 10 0 CEAEHN CC(C)(C)n1cc(CN2CCN3CCCC[C@H]3C2)cn1 ZINC000245567839 370840427 /nfs/dbraw/zinc/84/04/27/370840427.db2.gz UXAPSFYVVPGXRC-HNNXBMFYSA-N 0 3 276.428 2.308 10 0 CEAEHN COc1cc(CN2CCN3CCCC[C@H]3C2)cc(OC)c1 ZINC000245563148 370840969 /nfs/dbraw/zinc/84/09/69/370840969.db2.gz PJTALLQGVWMGNK-HNNXBMFYSA-N 0 3 290.407 2.374 10 0 CEAEHN CCC[C@H](C(=O)N1CCN2CCC[C@H]2C1)C(C)C ZINC000245655106 370854625 /nfs/dbraw/zinc/85/46/25/370854625.db2.gz FTUACKAKEYWLTR-KBPBESRZSA-N 0 3 252.402 2.365 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245683057 370857418 /nfs/dbraw/zinc/85/74/18/370857418.db2.gz VSXJJUWDXYDMNV-UNQGMJICSA-N 0 3 273.380 2.139 10 0 CEAEHN CC[C@H](NC[C@@H]1CN(C)CCO1)c1ccccc1F ZINC000164074654 367276139 /nfs/dbraw/zinc/27/61/39/367276139.db2.gz YWBUKSONFGKZNL-DOMZBBRYSA-N 0 3 266.360 2.197 10 0 CEAEHN CC(C)COCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000167612180 367341516 /nfs/dbraw/zinc/34/15/16/367341516.db2.gz DBTWEOKFMJOICM-LSDHHAIUSA-N 0 3 254.418 2.218 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000171070985 367471789 /nfs/dbraw/zinc/47/17/89/367471789.db2.gz HTEILSXEFJABJH-LLVKDONJSA-N 0 3 299.321 2.456 10 0 CEAEHN CC(C)Oc1cccc(CC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170854848 367430636 /nfs/dbraw/zinc/43/06/36/367430636.db2.gz WFWBMXSKSGJNEX-HNNXBMFYSA-N 0 3 290.407 2.179 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)c(C)n1C(C)C ZINC000170860371 367432164 /nfs/dbraw/zinc/43/21/64/367432164.db2.gz NWWFMMNKMGSJHH-CQSZACIVSA-N 0 3 277.412 2.462 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccnc3ccccc32)C1 ZINC000170859344 367432623 /nfs/dbraw/zinc/43/26/23/367432623.db2.gz VFQOWOLAYIUSGT-LBPRGKRZSA-N 0 3 269.348 2.011 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000170863687 367433981 /nfs/dbraw/zinc/43/39/81/367433981.db2.gz FSLRZJOPSFUXRM-LBPRGKRZSA-N 0 3 286.297 2.482 10 0 CEAEHN C[C@H](CC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000170862205 367434886 /nfs/dbraw/zinc/43/48/86/367434886.db2.gz ZBRLLPMAWRJHIQ-HIFRSBDPSA-N 0 3 260.381 2.343 10 0 CEAEHN C[C@H]1CN(C[C@H](O)COCc2ccccc2F)CCS1 ZINC000170901506 367444196 /nfs/dbraw/zinc/44/41/96/367444196.db2.gz FQFYQITZZUGSRF-JSGCOSHPSA-N 0 3 299.411 2.141 10 0 CEAEHN C[C@H]1CN(C[C@H](O)c2ccc(F)cc2)CCS1 ZINC000171694025 367597095 /nfs/dbraw/zinc/59/70/95/367597095.db2.gz RBZUSYMOTCYVKX-GWCFXTLKSA-N 0 3 255.358 2.296 10 0 CEAEHN O=C(NCc1ccc(Cl)cc1)N1CCN2CCC[C@@H]2C1 ZINC000171807293 367619697 /nfs/dbraw/zinc/61/96/97/367619697.db2.gz LYFQUARRZKNHMH-CQSZACIVSA-N 0 3 293.798 2.330 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171904643 367635403 /nfs/dbraw/zinc/63/54/03/367635403.db2.gz GWTAHVXURCCXEM-QLFBSQMISA-N 0 3 279.428 2.302 10 0 CEAEHN Cc1nc(C)n(C[C@@H]2CCCN(CCc3cccnc3)C2)n1 ZINC000172163008 367687578 /nfs/dbraw/zinc/68/75/78/367687578.db2.gz QVBOLTKSPOBPNG-QGZVFWFLSA-N 0 3 299.422 2.245 10 0 CEAEHN CCCCSCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000172542529 367772911 /nfs/dbraw/zinc/77/29/11/367772911.db2.gz KXOZPXLXDZRGMN-CYBMUJFWSA-N 0 3 270.442 2.216 10 0 CEAEHN CC[C@H]1CN(Cc2cc(F)cc(F)c2)CCN1C[C@H](C)O ZINC000245740536 370867084 /nfs/dbraw/zinc/86/70/84/370867084.db2.gz LQDBOZKDTLVATF-LRDDRELGSA-N 0 3 298.377 2.242 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCSC[C@@H]1C ZINC000172549517 367774509 /nfs/dbraw/zinc/77/45/09/367774509.db2.gz XOVBDQLZAAYYEG-QWHCGFSZSA-N 0 3 287.473 2.110 10 0 CEAEHN CCc1ccc([C@@H]2CCCCN2C[C@H](O)COC)o1 ZINC000172988222 367855245 /nfs/dbraw/zinc/85/52/45/367855245.db2.gz HMJLLNKQQJOXBU-JSGCOSHPSA-N 0 3 267.369 2.376 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000173905264 367957251 /nfs/dbraw/zinc/95/72/51/367957251.db2.gz VYGPIZZYFSMVGQ-CQSZACIVSA-N 0 3 286.379 2.346 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@H](C)c2ccccc2)CC1 ZINC000174071555 367978493 /nfs/dbraw/zinc/97/84/93/367978493.db2.gz YTTQMQGJFPSCLI-RDJZCZTQSA-N 0 3 276.424 2.179 10 0 CEAEHN C[C@H](CCOc1ccccc1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000174288881 368005905 /nfs/dbraw/zinc/00/59/05/368005905.db2.gz PDNALGPPNMPMEL-HUUCEWRRSA-N 0 3 290.407 2.254 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccnc1OC ZINC000176304394 368222031 /nfs/dbraw/zinc/22/20/31/368222031.db2.gz XMGWIOTZTRAQSO-GFCCVEGCSA-N 0 3 292.383 2.038 10 0 CEAEHN CC[C@H](NC[C@H]1CN(CC)CCO1)c1ccc(OC)cc1 ZINC000163847672 541679412 /nfs/dbraw/zinc/67/94/12/541679412.db2.gz AFBJAVKBWOLDBF-IRXDYDNUSA-N 0 3 292.423 2.457 10 0 CEAEHN CC[C@H](OC1CCCCC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000246040500 370902410 /nfs/dbraw/zinc/90/24/10/370902410.db2.gz RPJKGDKXRPDZQQ-HOCLYGCPSA-N 0 3 294.439 2.421 10 0 CEAEHN COC(=O)c1oc([C@H](C)N2CCN3CCC[C@H]3C2)cc1C ZINC000246204973 370927955 /nfs/dbraw/zinc/92/79/55/370927955.db2.gz YDTUNSVURZZAGC-STQMWFEESA-N 0 3 292.379 2.216 10 0 CEAEHN C[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000246123272 370911767 /nfs/dbraw/zinc/91/17/67/370911767.db2.gz IMQLUTGCJSNRCN-HIFRSBDPSA-N 0 3 279.428 2.445 10 0 CEAEHN Cc1cccc(C)c1OC[C@H](O)CN1CCS[C@@H](C)C1 ZINC000246174672 370921219 /nfs/dbraw/zinc/92/12/19/370921219.db2.gz TWXWHXRWRUQUOD-LSDHHAIUSA-N 0 3 295.448 2.480 10 0 CEAEHN CCOc1ccc(CN2CCN(CCOC)[C@@H](C)C2)cc1 ZINC000246249665 370935824 /nfs/dbraw/zinc/93/58/24/370935824.db2.gz FFXAHVGUCZZQAE-HNNXBMFYSA-N 0 3 292.423 2.238 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2cc(C)no2)C12CCOCC2 ZINC000186321404 368956086 /nfs/dbraw/zinc/95/60/86/368956086.db2.gz OMRXYIKJLJOJDZ-ZIAGYGMSSA-N 0 3 280.368 2.047 10 0 CEAEHN Cc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)c(C)n1 ZINC000187042807 369090229 /nfs/dbraw/zinc/09/02/29/369090229.db2.gz LKIQETSVYLIYHR-OAHLLOKOSA-N 0 3 285.395 2.202 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2F)C1 ZINC000187865710 369239299 /nfs/dbraw/zinc/23/92/99/369239299.db2.gz AAEBSXCBMNWGGT-GFCCVEGCSA-N 0 3 299.777 2.325 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc2c1CCCN2 ZINC000246438886 370960167 /nfs/dbraw/zinc/96/01/67/370960167.db2.gz HPEIYVFBRIPNTN-KGLIPLIRSA-N 0 3 299.418 2.353 10 0 CEAEHN C[C@@H](CNCc1ccc(Cl)cc1F)N1CCOCC1 ZINC000189242198 369481285 /nfs/dbraw/zinc/48/12/85/369481285.db2.gz KTUKDWWAHDRXKY-NSHDSACASA-N 0 3 286.778 2.289 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1cccc(OC)c1 ZINC000227905882 370389052 /nfs/dbraw/zinc/38/90/52/370389052.db2.gz XIFNGBYGHWJISI-HNNXBMFYSA-N 0 3 281.396 2.305 10 0 CEAEHN CCC[C@H](N)C(=O)NCC1(CCOCC)CCCC1 ZINC000236846661 370638769 /nfs/dbraw/zinc/63/87/69/370638769.db2.gz MYHBEIWLIKHXON-ZDUSSCGKSA-N 0 3 270.417 2.217 10 0 CEAEHN Cc1nnc([C@@H](C)N2CCC[C@@H]2Cn2ccnc2C)o1 ZINC000247032231 371050714 /nfs/dbraw/zinc/05/07/14/371050714.db2.gz MLKQGMSKGRMWIF-ZWNOBZJWSA-N 0 3 275.356 2.109 10 0 CEAEHN C[C@H](O)CN1CCN(CCc2ccccc2Cl)C[C@@H]1C ZINC000247116347 371066419 /nfs/dbraw/zinc/06/64/19/371066419.db2.gz JFYFTCGYUVTWKM-KBPBESRZSA-N 0 3 296.842 2.269 10 0 CEAEHN C[C@H](O)CN1CCN(CCCc2ccccc2)C[C@H]1C ZINC000247141805 371070074 /nfs/dbraw/zinc/07/00/74/371070074.db2.gz LCEHHHFAZHYQIU-CVEARBPZSA-N 0 3 276.424 2.006 10 0 CEAEHN COc1ccsc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247273147 371086685 /nfs/dbraw/zinc/08/66/85/371086685.db2.gz JZDLVUYMBJQINZ-WDEREUQCSA-N 0 3 282.409 2.215 10 0 CEAEHN C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1cccs1 ZINC000247650782 371131788 /nfs/dbraw/zinc/13/17/88/371131788.db2.gz WRPWMCZQIBTLSI-RYUDHWBXSA-N 0 3 279.409 2.299 10 0 CEAEHN CCCN(CC(F)F)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247385428 371101741 /nfs/dbraw/zinc/10/17/41/371101741.db2.gz QAVKUTRUCZKHHV-NEPJUHHUSA-N 0 3 291.386 2.402 10 0 CEAEHN C[C@H](Cc1cccs1)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247505821 371117532 /nfs/dbraw/zinc/11/75/32/371117532.db2.gz ONATWCXXFCYQOO-OLZOCXBDSA-N 0 3 293.436 2.169 10 0 CEAEHN CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C(C)C ZINC000247509108 371119099 /nfs/dbraw/zinc/11/90/99/371119099.db2.gz PFBAIEASUDBECT-CHWSQXEVSA-N 0 3 255.406 2.205 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(F)c2F)CCN1C[C@H](C)O ZINC000247561425 371125356 /nfs/dbraw/zinc/12/53/56/371125356.db2.gz GAZXBZXGWWLCNK-JSGCOSHPSA-N 0 3 298.377 2.242 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000054073972 541840885 /nfs/dbraw/zinc/84/08/85/541840885.db2.gz VGHCPHZFVDCWPW-DTWKUNHWSA-N 0 3 274.286 2.491 10 0 CEAEHN COC(=O)[C@@H](c1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000248356497 371178745 /nfs/dbraw/zinc/17/87/45/371178745.db2.gz OJYOTTQGVMLBQD-JKSUJKDBSA-N 0 3 288.391 2.071 10 0 CEAEHN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000248616321 371223807 /nfs/dbraw/zinc/22/38/07/371223807.db2.gz AKZPBJKNMXSXKB-RBSFLKMASA-N 0 3 282.428 2.134 10 0 CEAEHN C[C@H](O)CN1CCN(C[C@@H](C)Cc2ccccc2)C[C@@H]1C ZINC000248618627 371223827 /nfs/dbraw/zinc/22/38/27/371223827.db2.gz ZQMCRYPJURWHSG-ULQDDVLXSA-N 0 3 290.451 2.252 10 0 CEAEHN CC(=O)CC(C)(C)CC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000249106583 371294607 /nfs/dbraw/zinc/29/46/07/371294607.db2.gz XFONAXFESBYFQS-TZMCWYRMSA-N 0 3 282.428 2.227 10 0 CEAEHN C[C@H]1C[C@H](CCN2CCN(CCO)[C@H](C)C2)C[C@@H](C)C1 ZINC000249564171 371337806 /nfs/dbraw/zinc/33/78/06/371337806.db2.gz MNVDTXFMCSWWNV-TWMKSMIVSA-N 0 3 282.472 2.447 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC000249614794 371348236 /nfs/dbraw/zinc/34/82/36/371348236.db2.gz YVMLLBSYTBQRCN-UONOGXRCSA-N 0 3 276.380 2.054 10 0 CEAEHN CC(=O)c1cc(F)ccc1N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000251826922 371418318 /nfs/dbraw/zinc/41/83/18/371418318.db2.gz PHASWHLORNLBEV-MEBBXXQBSA-N 0 3 264.344 2.415 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccccn2)C1 ZINC000250246201 371381155 /nfs/dbraw/zinc/38/11/55/371381155.db2.gz XDINIMKYHOMRQB-KGLIPLIRSA-N 0 3 290.411 2.268 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nnc(-c2ccccc2)o1 ZINC000252443573 371438103 /nfs/dbraw/zinc/43/81/03/371438103.db2.gz CZTDICXASUNOMN-ZFWWWQNUSA-N 0 3 298.390 2.405 10 0 CEAEHN CC[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccncc1 ZINC000252465314 371439928 /nfs/dbraw/zinc/43/99/28/371439928.db2.gz PXNFDQYAYXJVKH-GJZGRUSLSA-N 0 3 288.395 2.022 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCc1ccccn1 ZINC000252662440 371463721 /nfs/dbraw/zinc/46/37/21/371463721.db2.gz ZDWLBADWTGBTMP-HOCLYGCPSA-N 0 3 259.397 2.183 10 0 CEAEHN CO[C@H](C)[C@@H](C)N[C@H](CN(C)C)c1ccccc1 ZINC000252711090 371470914 /nfs/dbraw/zinc/47/09/14/371470914.db2.gz INJXGDOURXYGEL-UMVBOHGHSA-N 0 3 250.386 2.302 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H](C)C[C@H](C)O)c1C ZINC000252756117 371475943 /nfs/dbraw/zinc/47/59/43/371475943.db2.gz JMYCKULEMFAKAB-DCAQKATOSA-N 0 3 253.390 2.330 10 0 CEAEHN C[C@@H](NC[C@@H](O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000268849659 372255093 /nfs/dbraw/zinc/25/50/93/372255093.db2.gz COGIOAOTFZLLJK-BXUZGUMPSA-N 0 3 299.436 2.148 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(C)c(C)c2)CCCN1 ZINC000643614943 373220253 /nfs/dbraw/zinc/22/02/53/373220253.db2.gz RBMWBHJKXHDWMV-HNNXBMFYSA-N 0 3 262.353 2.011 10 0 CEAEHN CC[C@H](NC(=O)[C@@H]1CNCCOC1)c1ccc(Cl)cc1 ZINC000643625871 373225409 /nfs/dbraw/zinc/22/54/09/373225409.db2.gz SYKARECRPLIEJP-OCCSQVGLSA-N 0 3 296.798 2.143 10 0 CEAEHN Cc1cccc(OCC(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000247170571 220219588 /nfs/dbraw/zinc/21/95/88/220219588.db2.gz KROAIQUXAXTZMZ-CABCVRRESA-N 0 3 288.391 2.069 10 0 CEAEHN CC[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000247165190 220219215 /nfs/dbraw/zinc/21/92/15/220219215.db2.gz KVNFPFKWWGWWSY-MGPQQGTHSA-N 0 3 267.417 2.301 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1ccc(F)c(F)c1 ZINC000282500706 375500478 /nfs/dbraw/zinc/50/04/78/375500478.db2.gz WRFVKEBOJVJWFT-RVBZMBCESA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@H](CNCc1cc[nH]c1)N(C)C(=O)OC(C)(C)C ZINC000282853487 375595428 /nfs/dbraw/zinc/59/54/28/375595428.db2.gz PRABKSXOHHKMFC-LLVKDONJSA-N 0 3 267.373 2.360 10 0 CEAEHN C[C@@H](CNCc1ccccn1)N(C)C(=O)OC(C)(C)C ZINC000282816661 375582549 /nfs/dbraw/zinc/58/25/49/375582549.db2.gz MZHZEABYTNDZAY-LBPRGKRZSA-N 0 3 279.384 2.427 10 0 CEAEHN C[C@@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccnn1C ZINC000283167280 375667654 /nfs/dbraw/zinc/66/76/54/375667654.db2.gz IYTSCCUBOFAMHF-NWDGAFQWSA-N 0 3 296.415 2.326 10 0 CEAEHN CCN1CC[C@@H](N[C@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448722 376849935 /nfs/dbraw/zinc/84/99/35/376849935.db2.gz COVSKAMFCOESCS-CHWSQXEVSA-N 0 3 278.396 2.449 10 0 CEAEHN CN1CC[C@@H](CNCc2ccco2)[C@@H]1c1cccnc1 ZINC000328640210 376869406 /nfs/dbraw/zinc/86/94/06/376869406.db2.gz PWASFSWKICPAFG-HOCLYGCPSA-N 0 3 271.364 2.457 10 0 CEAEHN C[C@H](C(=O)Nc1cccnc1)[C@@H](N)c1ccccc1 ZINC000131615635 249316339 /nfs/dbraw/zinc/31/63/39/249316339.db2.gz PYFHDVLPOUIBSM-SMDDNHRTSA-N 0 3 255.321 2.356 10 0 CEAEHN O[C@H]1CCCC[C@@H]1N1CCN(CC2CCCCC2)CC1 ZINC000305444955 379717288 /nfs/dbraw/zinc/71/72/88/379717288.db2.gz OTHYPRFQFWMERJ-IRXDYDNUSA-N 0 3 280.456 2.488 10 0 CEAEHN C[C@H](NCC(=O)N(C1CC1)C1CCCC1)[C@@H]1CCCO1 ZINC000183092149 542286152 /nfs/dbraw/zinc/28/61/52/542286152.db2.gz FPZRDGWCBZHZMZ-WFASDCNBSA-N 0 3 280.412 2.077 10 0 CEAEHN CCCNCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000088921579 184614393 /nfs/dbraw/zinc/61/43/93/184614393.db2.gz RTTCOTVJZKQYCW-UHFFFAOYSA-N 0 3 296.436 2.361 10 0 CEAEHN CCC[C@H](C)N(C)S(=O)(=O)c1csc(CNC)c1 ZINC000088964434 184615552 /nfs/dbraw/zinc/61/55/52/184615552.db2.gz UCUYTHMXDCYDDH-JTQLQIEISA-N 0 3 290.454 2.277 10 0 CEAEHN Cc1cc(C)c([C@@H](N)CN2C(=O)CC(C)CC2=O)c(C)c1 ZINC000093356588 184666489 /nfs/dbraw/zinc/66/64/89/184666489.db2.gz AANUYYBPDDLTPA-AWEZNQCLSA-N 0 3 288.391 2.397 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC000132081492 285271888 /nfs/dbraw/zinc/27/18/88/285271888.db2.gz ZGDJIOGWNQBYKX-FZMZJTMJSA-N 0 3 292.427 2.073 10 0 CEAEHN CS(=O)(=O)CCS[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000081768505 177855923 /nfs/dbraw/zinc/85/59/23/177855923.db2.gz XCGAWIONHQNBMN-KGLIPLIRSA-N 0 3 299.461 2.169 10 0 CEAEHN COCCNCc1cc(F)ccc1N1CC[C@H](COC)C1 ZINC000081072457 177765664 /nfs/dbraw/zinc/76/56/64/177765664.db2.gz JFHWBMKBRQUPSU-ZDUSSCGKSA-N 0 3 296.386 2.034 10 0 CEAEHN NC(=O)[C@@]1(N)CCC[C@H](Sc2cc3ccccc3[nH]2)C1 ZINC000094630028 184829187 /nfs/dbraw/zinc/82/91/87/184829187.db2.gz GRPBAQBWGGIZIL-XHDPSFHLSA-N 0 3 289.404 2.385 10 0 CEAEHN CCNCc1cccc(OCC)c1O[C@H](C)[C@@H](C)O ZINC000094652804 184834875 /nfs/dbraw/zinc/83/48/75/184834875.db2.gz HSTHMOPHAYCYNT-VXGBXAGGSA-N 0 3 267.369 2.343 10 0 CEAEHN COc1ccc([C@@H]2CN[C@@H](C)[C@@H](C)O2)c(OC)c1 ZINC000094656985 184836325 /nfs/dbraw/zinc/83/63/25/184836325.db2.gz RVAGQWWEQBBVHE-RBZYPMLTSA-N 0 3 251.326 2.142 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC1COC1 ZINC000094710219 184845107 /nfs/dbraw/zinc/84/51/07/184845107.db2.gz ADQGQDNRMMFPNV-DGCLKSJQSA-N 0 3 284.400 2.058 10 0 CEAEHN C[C@H]1CN(c2ccc(Br)c(F)c2)CCN1 ZINC000083536287 135027265 /nfs/dbraw/zinc/02/72/65/135027265.db2.gz WNVVXBCPBAXESY-QMMMGPOBSA-N 0 3 273.149 2.386 10 0 CEAEHN N[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)c2ccccc21 ZINC000087203552 135049095 /nfs/dbraw/zinc/04/90/95/135049095.db2.gz JLPLWRLAZFXJRA-JSGCOSHPSA-N 0 3 274.364 2.382 10 0 CEAEHN COCOc1ccc2ccccc2c1N1CCNCC1 ZINC000087888397 135052011 /nfs/dbraw/zinc/05/20/11/135052011.db2.gz FZLNSXZWVGDVFR-UHFFFAOYSA-N 0 3 272.348 2.232 10 0 CEAEHN C[C@@H]1CCc2ccccc2N1C(=O)C[C@H]1CSCCN1 ZINC000091133881 135067043 /nfs/dbraw/zinc/06/70/43/135067043.db2.gz WCGSFLJALYTLAB-OCCSQVGLSA-N 0 3 290.432 2.449 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@@H](N)Cc3ccccc32)o1 ZINC000091762836 135073698 /nfs/dbraw/zinc/07/36/98/135073698.db2.gz UYXUJNOOLFYQGK-LBPRGKRZSA-N 0 3 270.332 2.372 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1ccccc1OC1CCC1 ZINC000236883881 394488995 /nfs/dbraw/zinc/48/89/95/394488995.db2.gz COOMHPVFWWONOF-AWEZNQCLSA-N 0 3 276.380 2.362 10 0 CEAEHN C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000246445793 394516164 /nfs/dbraw/zinc/51/61/64/394516164.db2.gz MIBOMQOAFJIEFF-CZUORRHYSA-N 0 3 294.826 2.493 10 0 CEAEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000253278603 394576324 /nfs/dbraw/zinc/57/63/24/394576324.db2.gz OFIDJTREUWDQHQ-CBBWQLFWSA-N 0 3 282.428 2.038 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccc(F)cc2)C1 ZINC000048768912 394528361 /nfs/dbraw/zinc/52/83/61/394528361.db2.gz HIGMSVDLWORTMI-CQSZACIVSA-N 0 3 279.359 2.109 10 0 CEAEHN CN[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000048775792 394529322 /nfs/dbraw/zinc/52/93/22/394529322.db2.gz WKVIBAKDRLBSQK-MRVPVSSYSA-N 0 3 256.733 2.203 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2Cc3ccccc3C2)C1 ZINC000247464444 394531404 /nfs/dbraw/zinc/53/14/04/394531404.db2.gz URYRRRQKMMSWHJ-CZUORRHYSA-N 0 3 287.407 2.441 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCCc2cccnc21 ZINC000248844515 394548214 /nfs/dbraw/zinc/54/82/14/394548214.db2.gz SPTRJLGTLMEBBW-BMFZPTHFSA-N 0 3 299.418 2.197 10 0 CEAEHN CC[C@@](C)(O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000249366870 394554057 /nfs/dbraw/zinc/55/40/57/394554057.db2.gz MOBOKXHTSSAIQS-CVEARBPZSA-N 0 3 261.365 2.279 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000105872225 394722737 /nfs/dbraw/zinc/72/27/37/394722737.db2.gz UXCAVQBUGYKBKV-GWCFXTLKSA-N 0 3 260.316 2.083 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc2c1CCC2 ZINC000113229483 394748071 /nfs/dbraw/zinc/74/80/71/394748071.db2.gz QTAIQYXSEFZTBM-DZGCQCFKSA-N 0 3 284.403 2.484 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000123634944 394829981 /nfs/dbraw/zinc/82/99/81/394829981.db2.gz YUQMWILEINAZLD-SSDOTTSWSA-N 0 3 287.157 2.004 10 0 CEAEHN C[C@@H]1CCCC[C@H]1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171897444 395099754 /nfs/dbraw/zinc/09/97/54/395099754.db2.gz FWNSEZFAYKHNIW-MGPQQGTHSA-N 0 3 265.401 2.055 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1occc1C ZINC000175038454 395130966 /nfs/dbraw/zinc/13/09/66/395130966.db2.gz HNBXGJWOZKREAQ-QWHCGFSZSA-N 0 3 262.353 2.287 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)OCC(F)(F)F)[C@@H](C)C1 ZINC000177029562 395145333 /nfs/dbraw/zinc/14/53/33/395145333.db2.gz FCFQACAEKQEOPA-IUCAKERBSA-N 0 3 268.279 2.004 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCc2ccc(F)cc2)C1 ZINC000194636152 395444819 /nfs/dbraw/zinc/44/48/19/395444819.db2.gz KMEPJANGSLOZCX-OAHLLOKOSA-N 0 3 278.371 2.359 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1cc(F)ccc1F ZINC000398972703 400562886 /nfs/dbraw/zinc/56/28/86/400562886.db2.gz XGVIHSRPUOZJKQ-OQPBUACISA-N 0 3 268.307 2.269 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H](C)CS(C)(=O)=O)c(C)c1 ZINC000081900569 292247831 /nfs/dbraw/zinc/24/78/31/292247831.db2.gz MCJGAXWODABZJU-OLZOCXBDSA-N 0 3 269.410 2.387 10 0 CEAEHN CO[C@H]1C[C@H](c2nc(C)no2)N(C[Si](C)(C)C)C1 ZINC000189344328 153091093 /nfs/dbraw/zinc/09/10/93/153091093.db2.gz RTRHIGHASFMHFH-WDEREUQCSA-N 0 3 269.421 2.017 10 0 CEAEHN CO[C@H](C)[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000189735657 153106237 /nfs/dbraw/zinc/10/62/37/153106237.db2.gz GOMJDOHXLXWJSZ-GUTXKFCHSA-N 0 3 293.411 2.012 10 0 CEAEHN O=C(Cc1c(F)cccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000195314774 153282708 /nfs/dbraw/zinc/28/27/08/153282708.db2.gz PYZUFHBQLOFQBK-LLVKDONJSA-N 0 3 296.773 2.328 10 0 CEAEHN COc1cccc([C@@H](C)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195337098 153286053 /nfs/dbraw/zinc/28/60/53/153286053.db2.gz LSHGKBGHSBBWMB-UKRRQHHQSA-N 0 3 288.391 2.105 10 0 CEAEHN CCSc1cc(C(=O)N2CCN3CCC[C@@H]3C2)ccn1 ZINC000195337123 153287253 /nfs/dbraw/zinc/28/72/53/153287253.db2.gz VNOGYHHWHFDVRI-CYBMUJFWSA-N 0 3 291.420 2.114 10 0 CEAEHN CN1CCNC[C@H]1c1noc(C2CCCCCCC2)n1 ZINC000263193582 154030870 /nfs/dbraw/zinc/03/08/70/154030870.db2.gz IELDCINIMITYHM-ZDUSSCGKSA-N 0 3 278.400 2.474 10 0 CEAEHN CC(C)c1ccsc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263224106 154039044 /nfs/dbraw/zinc/03/90/44/154039044.db2.gz MMVAWCKXVWMHDF-LLVKDONJSA-N 0 3 292.408 2.498 10 0 CEAEHN CC(C)c1ccsc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263224107 154039606 /nfs/dbraw/zinc/03/96/06/154039606.db2.gz MMVAWCKXVWMHDF-NSHDSACASA-N 0 3 292.408 2.498 10 0 CEAEHN CCc1sc(-c2nc([C@H]3CNCCN3C)no2)cc1C ZINC000263285396 154049467 /nfs/dbraw/zinc/04/94/67/154049467.db2.gz UXWFFANWTJLUBB-SNVBAGLBSA-N 0 3 292.408 2.245 10 0 CEAEHN CC1(C)CC(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263484286 154096146 /nfs/dbraw/zinc/09/61/46/154096146.db2.gz GZORTSVAKXYUQY-UHFFFAOYSA-N 0 3 280.412 2.092 10 0 CEAEHN CC1(C)CC(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263484286 154096152 /nfs/dbraw/zinc/09/61/52/154096152.db2.gz GZORTSVAKXYUQY-UHFFFAOYSA-N 0 3 280.412 2.092 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000263486602 154100826 /nfs/dbraw/zinc/10/08/26/154100826.db2.gz HNCLZGRQKKRPOF-MRFVTOPCSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC[C@H](C)C2)C1 ZINC000263486602 154100833 /nfs/dbraw/zinc/10/08/33/154100833.db2.gz HNCLZGRQKKRPOF-MRFVTOPCSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC[C@H](C)C2)C1 ZINC000263486602 154100836 /nfs/dbraw/zinc/10/08/36/154100836.db2.gz HNCLZGRQKKRPOF-MRFVTOPCSA-N 0 3 268.401 2.092 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000263534950 154116329 /nfs/dbraw/zinc/11/63/29/154116329.db2.gz YQQSGPNLYHEQRE-DNDYEEKYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@@H]2CCCC[C@H]2C)C1 ZINC000263534950 154116333 /nfs/dbraw/zinc/11/63/33/154116333.db2.gz YQQSGPNLYHEQRE-DNDYEEKYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@@H]2CCCC[C@H]2C)C1 ZINC000263534950 154116337 /nfs/dbraw/zinc/11/63/37/154116337.db2.gz YQQSGPNLYHEQRE-DNDYEEKYSA-N 0 3 282.428 2.340 10 0 CEAEHN CO[C@H]1C[C@H](CO)N(Cc2csc3ccccc23)C1 ZINC000344081016 154269415 /nfs/dbraw/zinc/26/94/15/154269415.db2.gz CJDGNJPFKKEWKK-OLZOCXBDSA-N 0 3 277.389 2.483 10 0 CEAEHN CCc1nnc([C@@H]2C[N@H+](CC3CCCCC3)CCO2)[n-]1 ZINC000173687168 165079937 /nfs/dbraw/zinc/07/99/37/165079937.db2.gz GVPVNWSRIHRQGX-ZDUSSCGKSA-N 0 3 278.400 2.321 10 0 CEAEHN CCc1nnc([C@@H]2C[N@@H+](CC3CCCCC3)CCO2)[n-]1 ZINC000173687168 165079942 /nfs/dbraw/zinc/07/99/42/165079942.db2.gz GVPVNWSRIHRQGX-ZDUSSCGKSA-N 0 3 278.400 2.321 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCC(C)C ZINC000176132251 165154372 /nfs/dbraw/zinc/15/43/72/165154372.db2.gz XEYQYGKZVDLGMM-CYBMUJFWSA-N 0 3 255.406 2.158 10 0 CEAEHN CCc1nnc(NC(=O)N(C)C[C@H]2CCCN2CC)s1 ZINC000176264558 165158194 /nfs/dbraw/zinc/15/81/94/165158194.db2.gz FUMNZTGJGBEZQX-SNVBAGLBSA-N 0 3 297.428 2.049 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000177705835 165206908 /nfs/dbraw/zinc/20/69/08/165206908.db2.gz DARVRGGEUSTTSZ-KBPBESRZSA-N 0 3 283.460 2.096 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000179039228 165266261 /nfs/dbraw/zinc/26/62/61/165266261.db2.gz RAJXPLRAWHZQAK-QMTHXVAHSA-N 0 3 261.369 2.357 10 0 CEAEHN CCC[C@H](C(=O)N1CCN2CCC[C@@H]2C1)C(C)C ZINC000179410367 165278148 /nfs/dbraw/zinc/27/81/48/165278148.db2.gz FTUACKAKEYWLTR-KGLIPLIRSA-N 0 3 252.402 2.365 10 0 CEAEHN O=C(CCN1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000182304988 165370250 /nfs/dbraw/zinc/37/02/50/165370250.db2.gz JVIQUAAXMXISHG-OAHLLOKOSA-N 0 3 298.390 2.263 10 0 CEAEHN CC[C@@H]1CN(C(=O)N[C@H](CC(C)C)CN(C)C)C[C@@H](C)O1 ZINC000247376166 287147135 /nfs/dbraw/zinc/14/71/35/287147135.db2.gz FSPGLLITJPEWEN-RBSFLKMASA-N 0 3 299.459 2.172 10 0 CEAEHN CC(=O)NCCN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000020185195 171048156 /nfs/dbraw/zinc/04/81/56/171048156.db2.gz AXHJSEUNVHWOEZ-LBPRGKRZSA-N 0 3 260.381 2.352 10 0 CEAEHN CCCN(C)[C@@H](CN)c1ccc(OC)cc1OC ZINC000020226490 171091978 /nfs/dbraw/zinc/09/19/78/171091978.db2.gz COKXRPOADXVXOD-ZDUSSCGKSA-N 0 3 252.358 2.045 10 0 CEAEHN COc1ccc([C@H](N)CN2CCCCC2)cc1F ZINC000020260316 171117220 /nfs/dbraw/zinc/11/72/20/171117220.db2.gz NFJMQGCLRRFYQC-CYBMUJFWSA-N 0 3 252.333 2.320 10 0 CEAEHN N[C@@H](CN1CCOC1=O)c1cccc2ccccc21 ZINC000020262236 171119483 /nfs/dbraw/zinc/11/94/83/171119483.db2.gz LVUXZNAJBYPOHL-AWEZNQCLSA-N 0 3 256.305 2.292 10 0 CEAEHN CN(C)CCNc1ccc(I)cc1 ZINC000020359130 171158356 /nfs/dbraw/zinc/15/83/56/171158356.db2.gz RHIMOAOXSNXPBP-UHFFFAOYSA-N 0 3 290.148 2.265 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)NCCc1ccc(OC)cc1 ZINC000020364331 171163220 /nfs/dbraw/zinc/16/32/20/171163220.db2.gz VZMIBAWZPINGIC-ZDUSSCGKSA-N 0 3 278.396 2.084 10 0 CEAEHN N[C@@H](Cc1c[nH]cn1)c1nc2cc(Cl)ccc2[nH]1 ZINC000020374755 171170043 /nfs/dbraw/zinc/17/00/43/171170043.db2.gz WPRDJZAJVINGEW-VIFPVBQESA-N 0 3 261.716 2.182 10 0 CEAEHN N[C@@H](Cc1c[nH]cn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000020374755 171170045 /nfs/dbraw/zinc/17/00/45/171170045.db2.gz WPRDJZAJVINGEW-VIFPVBQESA-N 0 3 261.716 2.182 10 0 CEAEHN C[C@@H]1CCC[C@H](C(=O)Nc2c(F)cccc2F)N1 ZINC000020476460 171220739 /nfs/dbraw/zinc/22/07/39/171220739.db2.gz DMIUAXBLJKIJDK-LDYMZIIASA-N 0 3 254.280 2.434 10 0 CEAEHN COc1ccc([C@@H](CN)N(C)C(C)C)c(OC)c1 ZINC000022167740 171366591 /nfs/dbraw/zinc/36/65/91/171366591.db2.gz SLWVQTKUVPWDKA-CYBMUJFWSA-N 0 3 252.358 2.044 10 0 CEAEHN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2CN)C1 ZINC000022210448 171373296 /nfs/dbraw/zinc/37/32/96/171373296.db2.gz LPLYJPZFDPGWCF-BETUJISGSA-N 0 3 275.396 2.062 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc(C(F)(F)F)c2)CCO1 ZINC000022222007 171378842 /nfs/dbraw/zinc/37/88/42/171378842.db2.gz DXGHJBSVXNUONK-MFKMUULPSA-N 0 3 288.313 2.426 10 0 CEAEHN CC(C)N(C)[C@@H](CN)c1ccc(Br)o1 ZINC000022222109 171378944 /nfs/dbraw/zinc/37/89/44/171378944.db2.gz MQQMGBYZFWASPQ-QMMMGPOBSA-N 0 3 261.163 2.382 10 0 CEAEHN CCN(CC)CCOc1ccccc1OCC(C)=O ZINC000027873257 171535261 /nfs/dbraw/zinc/53/52/61/171535261.db2.gz YFLJJXAMDIXAAA-UHFFFAOYSA-N 0 3 265.353 2.375 10 0 CEAEHN OCCNCc1cc(Cl)ccc1OC(F)F ZINC000035223213 172067403 /nfs/dbraw/zinc/06/74/03/172067403.db2.gz KPVAZDYTBVAJQY-UHFFFAOYSA-N 0 3 251.660 2.023 10 0 CEAEHN COC(=O)c1cc(CN[C@@H](C)[C@@H]2CCCO2)oc1C ZINC000035273867 172094488 /nfs/dbraw/zinc/09/44/88/172094488.db2.gz XEKFTMGGTZHHSF-ZANVPECISA-N 0 3 267.325 2.032 10 0 CEAEHN CCNC(=O)COc1c2ccccc2ccc1[C@H](C)N ZINC000035427357 172194319 /nfs/dbraw/zinc/19/43/19/172194319.db2.gz GCBLILRSJVDENJ-NSHDSACASA-N 0 3 272.348 2.374 10 0 CEAEHN CNCc1c(N2CCC[C@H](C)C2)nc2sccn12 ZINC000035429687 172197862 /nfs/dbraw/zinc/19/78/62/172197862.db2.gz FLVGDDVXINRIQV-JTQLQIEISA-N 0 3 264.398 2.352 10 0 CEAEHN CCN(CC)c1nc2ccccn2c1CNC1CC1 ZINC000035433871 172201753 /nfs/dbraw/zinc/20/17/53/172201753.db2.gz FFLKTUVLPHYQHJ-UHFFFAOYSA-N 0 3 258.369 2.433 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000035571753 172267602 /nfs/dbraw/zinc/26/76/02/172267602.db2.gz WKQFPVZPKMAOHI-WCQYABFASA-N 0 3 280.343 2.487 10 0 CEAEHN C[C@@H](CO)N[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000035603254 172291785 /nfs/dbraw/zinc/29/17/85/172291785.db2.gz OIEHASWIADSZES-LRDDRELGSA-N 0 3 257.333 2.452 10 0 CEAEHN CNCc1cc(Cl)cc(Cl)c1OC[C@@H](C)C(N)=O ZINC000035661981 172340141 /nfs/dbraw/zinc/34/01/41/172340141.db2.gz JOYVRHZJCFZLGM-SSDOTTSWSA-N 0 3 291.178 2.213 10 0 CEAEHN C[C@@H](NCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000035735816 172388217 /nfs/dbraw/zinc/38/82/17/172388217.db2.gz QFQFPHFETRRDHJ-MFKMUULPSA-N 0 3 282.771 2.436 10 0 CEAEHN CCC(C)(C)NCc1sc(N(C)C)nc1OC ZINC000036907155 172796568 /nfs/dbraw/zinc/79/65/68/172796568.db2.gz MHKMYUHLPZPCDO-UHFFFAOYSA-N 0 3 257.403 2.496 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccccc1-c1nc(C)no1 ZINC000037013352 172872074 /nfs/dbraw/zinc/87/20/74/172872074.db2.gz QDMNBRWHRJDWSE-RNCFNFMXSA-N 0 3 288.351 2.357 10 0 CEAEHN Cc1noc(C)c1CN[C@@H](CC(C)C)CN(C)C ZINC000037167219 173001128 /nfs/dbraw/zinc/00/11/28/173001128.db2.gz SKJMPPUIQOENGU-ZDUSSCGKSA-N 0 3 253.390 2.357 10 0 CEAEHN CN([C@@H](CN)c1ccc(F)c(F)c1)[C@@H]1CCSC1 ZINC000037174468 173008650 /nfs/dbraw/zinc/00/86/50/173008650.db2.gz VAZFEXPHGNVKFB-MFKMUULPSA-N 0 3 272.364 2.402 10 0 CEAEHN Cc1ccc([C@H](CN)N2CCOC(C)(C)C2)cc1C ZINC000037180175 173012763 /nfs/dbraw/zinc/01/27/63/173012763.db2.gz KNQVHZJNROAMIH-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN CCCNCc1ccc(I)o1 ZINC000037184357 173016728 /nfs/dbraw/zinc/01/67/28/173016728.db2.gz BPSDQTFBJVYUHH-UHFFFAOYSA-N 0 3 265.094 2.384 10 0 CEAEHN CC(C)(C)OC(=O)N[C@H](CN)c1cc(F)ccc1F ZINC000037228270 173047973 /nfs/dbraw/zinc/04/79/73/173047973.db2.gz QTPBOOVRMRCRTN-LLVKDONJSA-N 0 3 272.295 2.489 10 0 CEAEHN Cc1nc2sccn2c1CN[C@H](C)[C@@H]1CCCO1 ZINC000037242343 173059147 /nfs/dbraw/zinc/05/91/47/173059147.db2.gz SMHVBCFZXHLEAV-PWSUYJOCSA-N 0 3 265.382 2.361 10 0 CEAEHN CC[C@@H](C)CN(C)CC(=O)Nc1ccc(C)c(N)c1 ZINC000037273552 173085799 /nfs/dbraw/zinc/08/57/99/173085799.db2.gz XCLVEQRIQSJTCP-LLVKDONJSA-N 0 3 263.385 2.494 10 0 CEAEHN CCCn1c2ccccc2nc1[C@H]1C[C@@H](OC)CN1 ZINC000037323595 173124588 /nfs/dbraw/zinc/12/45/88/173124588.db2.gz PNBRCDTVTTVGHH-DGCLKSJQSA-N 0 3 259.353 2.496 10 0 CEAEHN CCOc1ccc(NC(=O)CN[C@H](C)CC)cc1 ZINC000037386433 173169540 /nfs/dbraw/zinc/16/95/40/173169540.db2.gz JDDWNZQLHGDRNB-LLVKDONJSA-N 0 3 250.342 2.412 10 0 CEAEHN O=C(CNC1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000037386794 173170422 /nfs/dbraw/zinc/17/04/22/173170422.db2.gz QTMTYKYSTZYBBQ-UHFFFAOYSA-N 0 3 290.363 2.319 10 0 CEAEHN CCCOc1ccc(CNCC(OC)OC)cc1 ZINC000037388327 173171416 /nfs/dbraw/zinc/17/14/16/173171416.db2.gz SBKBLFJAACXWQW-UHFFFAOYSA-N 0 3 253.342 2.184 10 0 CEAEHN CC(C)NCC(=O)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000037396012 173177012 /nfs/dbraw/zinc/17/70/12/173177012.db2.gz YJERMZBRVBZUQF-ZJUUUORDSA-N 0 3 266.307 2.222 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1N1CCN(Cc2ccccc2)CC1 ZINC000037490605 173232383 /nfs/dbraw/zinc/23/23/83/173232383.db2.gz RHZYYYBROVMBMN-DLBZAZTESA-N 0 3 274.408 2.108 10 0 CEAEHN C[C@](NC1CCCCC1)(C(N)=O)c1ccc2c(c1)OCO2 ZINC000037971038 173921778 /nfs/dbraw/zinc/92/17/78/173921778.db2.gz LYDRKKHEHPWEQI-MRXNPFEDSA-N 0 3 290.363 2.038 10 0 CEAEHN C[C@H](CN[C@@H]1COc2cc(O)ccc21)N1CCCCC1 ZINC000038028603 174017719 /nfs/dbraw/zinc/01/77/19/174017719.db2.gz TZYSAVQNJSUYBR-IUODEOHRSA-N 0 3 276.380 2.290 10 0 CEAEHN CC[C@@H](C)N[C@](CC)(C(N)=O)c1ccc(F)cc1 ZINC000038065508 174075911 /nfs/dbraw/zinc/07/59/11/174075911.db2.gz DCBUZVZBPJKZBY-YGRLFVJLSA-N 0 3 252.333 2.304 10 0 CEAEHN C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCCCN1 ZINC000038100815 174115601 /nfs/dbraw/zinc/11/56/01/174115601.db2.gz SANQQWAREVLCPH-ZYHUDNBSSA-N 0 3 264.394 2.336 10 0 CEAEHN c1nc(C[C@H]2NCCc3c4ccccc4[nH]c32)c[nH]1 ZINC000040431084 174259887 /nfs/dbraw/zinc/25/98/87/174259887.db2.gz SLFMYESZZPZJHF-CQSZACIVSA-N 0 3 252.321 2.321 10 0 CEAEHN COc1ccc([C@@H](C)NC(=O)[C@@H](N)CC(C)C)cc1OC ZINC000040491245 174292215 /nfs/dbraw/zinc/29/22/15/174292215.db2.gz DWENHOSOFFVQCX-YPMHNXCESA-N 0 3 294.395 2.254 10 0 CEAEHN COc1ccc([C@@H](C)NC(=O)[C@@](C)(N)C2CC2)cc1OC ZINC000040491288 174292365 /nfs/dbraw/zinc/29/23/65/174292365.db2.gz LUAGOTWCZHEYAT-HWPZZCPQSA-N 0 3 292.379 2.008 10 0 CEAEHN CCN1CCC[C@@H](NCc2cnc3ccccc3n2)C1 ZINC000040502836 174298834 /nfs/dbraw/zinc/29/88/34/174298834.db2.gz IHLYQEPBWLDOBO-CYBMUJFWSA-N 0 3 270.380 2.204 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCCN3)C1 ZINC000040503631 174300377 /nfs/dbraw/zinc/30/03/77/174300377.db2.gz HIBNGKGVVDNGLZ-HNNXBMFYSA-N 0 3 287.407 2.259 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000040629899 174357774 /nfs/dbraw/zinc/35/77/74/174357774.db2.gz MRYBSHBHHUISQN-LDYMZIIASA-N 0 3 288.269 2.021 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccc(F)cc3F)c[nH]2)C1 ZINC000040637852 174361920 /nfs/dbraw/zinc/36/19/20/174361920.db2.gz SAEMIBPLOBOQGZ-JOYOIKCWSA-N 0 3 279.290 2.404 10 0 CEAEHN Cn1ccnc1CCNCc1cc(F)ccc1F ZINC000040639036 174363118 /nfs/dbraw/zinc/36/31/18/174363118.db2.gz FAFGQWRSYYJABS-UHFFFAOYSA-N 0 3 251.280 2.031 10 0 CEAEHN CC(C)(NC1CC(c2ccc(Cl)cc2)C1)C(N)=O ZINC000040674517 174372962 /nfs/dbraw/zinc/37/29/62/174372962.db2.gz CDFDZIREPFZIEH-UHFFFAOYSA-N 0 3 266.772 2.440 10 0 CEAEHN CC(C)(N[C@H]1CCc2cc(Br)ccc21)C(N)=O ZINC000040674772 174373476 /nfs/dbraw/zinc/37/34/76/174373476.db2.gz QYZKKVUHJOYNJX-NSHDSACASA-N 0 3 297.196 2.290 10 0 CEAEHN CCOC1CCN(C[C@H](N)c2ccccc2C)CC1 ZINC000040689256 174376009 /nfs/dbraw/zinc/37/60/09/174376009.db2.gz NKFFZFJXBWYFQY-INIZCTEOSA-N 0 3 262.397 2.496 10 0 CEAEHN Cc1cc(=O)n(C[C@@H](N)c2ccc(C(C)C)cc2)cn1 ZINC000040728038 174387662 /nfs/dbraw/zinc/38/76/62/174387662.db2.gz PFIRETYIDAXJFF-OAHLLOKOSA-N 0 3 271.364 2.375 10 0 CEAEHN Cc1cccc(CCC(=O)N(C)[C@H](CN)C(F)(F)F)c1 ZINC000662980109 414816741 /nfs/dbraw/zinc/81/67/41/414816741.db2.gz ZRHMRBFWJGFZPD-GFCCVEGCSA-N 0 3 288.313 2.276 10 0 CEAEHN CCc1ccsc1C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662979307 414817666 /nfs/dbraw/zinc/81/76/66/414817666.db2.gz LCEZEFPERSTPSH-MRVPVSSYSA-N 0 3 280.315 2.272 10 0 CEAEHN CN(C(=O)c1cccc(Cl)c1F)[C@@H](CN)C(F)(F)F ZINC000662984231 414819367 /nfs/dbraw/zinc/81/93/67/414819367.db2.gz IZXYOUYLFMPVBF-QMMMGPOBSA-N 0 3 298.667 2.441 10 0 CEAEHN CC(C)(C)[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000660441581 414822734 /nfs/dbraw/zinc/82/27/34/414822734.db2.gz GHIYRESFATWVLT-RDBSUJKOSA-N 0 3 255.402 2.284 10 0 CEAEHN OCC1CC(NCc2ccccc2OC(F)F)C1 ZINC000657808593 415088128 /nfs/dbraw/zinc/08/81/28/415088128.db2.gz MVUAQUYYYWIEKZ-UHFFFAOYSA-N 0 3 257.280 2.149 10 0 CEAEHN CC(C)(C)c1ncc(CNC2CC(CO)C2)s1 ZINC000657813082 415090607 /nfs/dbraw/zinc/09/06/07/415090607.db2.gz QFFJMFDGNFORRK-UHFFFAOYSA-N 0 3 254.399 2.301 10 0 CEAEHN N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300050 175001144 /nfs/dbraw/zinc/00/11/44/175001144.db2.gz BWXAKJMVYKPOHV-HQJQHLMTSA-N 0 3 294.203 2.428 10 0 CEAEHN CCCN[C@H](c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000043301219 175002178 /nfs/dbraw/zinc/00/21/78/175002178.db2.gz YHHLZJAZOFEQEU-DOMZBBRYSA-N 0 3 297.420 2.171 10 0 CEAEHN CC[C@H](N)[C@H](c1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043334344 175010589 /nfs/dbraw/zinc/01/05/89/175010589.db2.gz CMHYSWVWWGVJJD-KZVDOYCCSA-N 0 3 252.358 2.167 10 0 CEAEHN NC[C@@H](Oc1ccc(F)c(F)c1)c1cccnc1 ZINC000043351219 175019828 /nfs/dbraw/zinc/01/98/28/175019828.db2.gz GAKKDXLEIISISY-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN CC(=O)Nc1ccccc1O[C@@H](CN)c1ccncc1 ZINC000043355505 175023252 /nfs/dbraw/zinc/02/32/52/175023252.db2.gz VJTCAHLIIFWZLJ-HNNXBMFYSA-N 0 3 271.320 2.119 10 0 CEAEHN Cc1ccc([C@@H]([C@H](C)N)N(C)[C@@H]2CCSC2)o1 ZINC000043364092 175025103 /nfs/dbraw/zinc/02/51/03/175025103.db2.gz QTPMFVAMHOSKCS-DMDPSCGWSA-N 0 3 254.399 2.414 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N(CC(N)=O)C1CCCC1 ZINC000043365105 175026183 /nfs/dbraw/zinc/02/61/83/175026183.db2.gz FIDMSUOCAGKDDX-CZUORRHYSA-N 0 3 293.411 2.096 10 0 CEAEHN OC[C@@H](NC[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391479 175034505 /nfs/dbraw/zinc/03/45/05/175034505.db2.gz WHDJQHYGRHGBTG-GXFFZTMASA-N 0 3 273.735 2.281 10 0 CEAEHN CCN(Cc1ccncc1)c1nc(C)ccc1CN ZINC000043395874 175035412 /nfs/dbraw/zinc/03/54/12/175035412.db2.gz UQQOOLBXKSRCJS-UHFFFAOYSA-N 0 3 256.353 2.270 10 0 CEAEHN Cc1ccc(CN)c(OCc2ccc3c(c2)OCO3)n1 ZINC000043396285 175036488 /nfs/dbraw/zinc/03/64/88/175036488.db2.gz LRSCREPCKSEVPA-UHFFFAOYSA-N 0 3 272.304 2.156 10 0 CEAEHN CN[C@@H](CN(C)C(C)C)c1ccc(OC)cc1OC ZINC000043813033 175111107 /nfs/dbraw/zinc/11/11/07/175111107.db2.gz JQJUKQJBTHUIRZ-AWEZNQCLSA-N 0 3 266.385 2.305 10 0 CEAEHN CCN[C@@H](CN(C)CC)c1ccc(OC)cc1OC ZINC000043820283 175113601 /nfs/dbraw/zinc/11/36/01/175113601.db2.gz QPUYKXXWSBSWIF-AWEZNQCLSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN(C[C@H](NC)c1ccc2c(c1)OCCO2)C1CC1 ZINC000043821376 175114451 /nfs/dbraw/zinc/11/44/51/175114451.db2.gz FRVVYAQHMBJCNM-AWEZNQCLSA-N 0 3 276.380 2.203 10 0 CEAEHN CCN[C@H](CN(C)C1CC1)c1ccc(OC)cc1OC ZINC000043823006 175114757 /nfs/dbraw/zinc/11/47/57/175114757.db2.gz WIIKULFGPQADRI-OAHLLOKOSA-N 0 3 278.396 2.449 10 0 CEAEHN CCCN(C)C[C@H](NCC)c1ccc2c(c1)OCO2 ZINC000043886095 175116925 /nfs/dbraw/zinc/11/69/25/175116925.db2.gz UVPTWLZKVJGMPK-ZDUSSCGKSA-N 0 3 264.369 2.408 10 0 CEAEHN CCOc1ccc([C@@H](CN2CCOCC2(C)C)NC)cc1 ZINC000043916722 175125869 /nfs/dbraw/zinc/12/58/69/175125869.db2.gz BOABBSRYKASDLN-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N(C)[C@@H](C)COC ZINC000043969317 175130353 /nfs/dbraw/zinc/13/03/53/175130353.db2.gz RLHMJWQZQRIFSQ-DUVNUKRYSA-N 0 3 278.396 2.065 10 0 CEAEHN CCCC1N=NC(=S)N1C[C@H](C)N1CCCCC1 ZINC000045005113 175288343 /nfs/dbraw/zinc/28/83/43/175288343.db2.gz RUWNIHUAWYJUOA-NSHDSACASA-N 0 3 268.430 2.394 10 0 CEAEHN C[C@@H](CNc1cncc(Cl)n1)N1CCCCC1 ZINC000045014499 175291221 /nfs/dbraw/zinc/29/12/21/175291221.db2.gz VOACPYNCBJUDKY-JTQLQIEISA-N 0 3 254.765 2.416 10 0 CEAEHN COCC[C@@H](C)N[C@H](CC(=O)OC)c1cccs1 ZINC000045023379 175292480 /nfs/dbraw/zinc/29/24/80/175292480.db2.gz DIRFMWGKSQKCHL-GHMZBOCLSA-N 0 3 271.382 2.367 10 0 CEAEHN CN[C@@](C)(CCOC)c1nc2c(s1)CCCC2 ZINC000045044648 175295384 /nfs/dbraw/zinc/29/53/84/175295384.db2.gz HMOWQSOXXHKDCR-ZDUSSCGKSA-N 0 3 254.399 2.493 10 0 CEAEHN CCCN(CC(N)=S)Cc1ccccc1OC ZINC000045093606 175307098 /nfs/dbraw/zinc/30/70/98/175307098.db2.gz OGHPSXKNRQCBHI-UHFFFAOYSA-N 0 3 252.383 2.193 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCN2CCCC2)c1C ZINC000045168257 175319248 /nfs/dbraw/zinc/31/92/48/175319248.db2.gz JXXZWRUODQOZOB-GFCCVEGCSA-N 0 3 264.417 2.266 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NC[C@H]1CCCCO1 ZINC000045172619 175321984 /nfs/dbraw/zinc/32/19/84/175321984.db2.gz KINCGSZUYRTUQD-ZWNOBZJWSA-N 0 3 251.374 2.257 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2CCN(C3CC3)C2)c1C ZINC000045172782 175322083 /nfs/dbraw/zinc/32/20/83/175322083.db2.gz QJLGGUQMFLZATF-FZMZJTMJSA-N 0 3 276.428 2.407 10 0 CEAEHN CCCCN(C)C[C@@](NCC)(C(=O)OC)c1ccccc1 ZINC000045221927 175331033 /nfs/dbraw/zinc/33/10/33/175331033.db2.gz KLVNYNJPEZQCQZ-KRWDZBQOSA-N 0 3 292.423 2.396 10 0 CEAEHN CCCCN(CC)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045223353 175331137 /nfs/dbraw/zinc/33/11/37/175331137.db2.gz UGJVNUGFPRDLSA-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCN[C@@](C)(CCN1CCCC[C@@H]1C)C(=O)OCC ZINC000045227087 175333404 /nfs/dbraw/zinc/33/34/04/175333404.db2.gz NIUKCZJDSXODCD-ZFWWWQNUSA-N 0 3 270.417 2.182 10 0 CEAEHN CC(C)N[C@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231234 175334775 /nfs/dbraw/zinc/33/47/75/175334775.db2.gz XBMBCVZZZDPIBA-OAHLLOKOSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)N[C@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231234 175334776 /nfs/dbraw/zinc/33/47/76/175334776.db2.gz XBMBCVZZZDPIBA-OAHLLOKOSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)[NH2+][C@](C)(CCN(C)C1CCCCC1)C(=O)[O-] ZINC000045231234 175334777 /nfs/dbraw/zinc/33/47/77/175334777.db2.gz XBMBCVZZZDPIBA-OAHLLOKOSA-N 0 3 270.417 2.482 10 0 CEAEHN CCC[N@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])C(C)C ZINC000045266878 175338829 /nfs/dbraw/zinc/33/88/29/175338829.db2.gz VAOONVSKIHTGNZ-CQSZACIVSA-N 0 3 258.406 2.338 10 0 CEAEHN CCC[N@@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])C(C)C ZINC000045266878 175338831 /nfs/dbraw/zinc/33/88/31/175338831.db2.gz VAOONVSKIHTGNZ-CQSZACIVSA-N 0 3 258.406 2.338 10 0 CEAEHN CCCN(CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045266878 175338832 /nfs/dbraw/zinc/33/88/32/175338832.db2.gz VAOONVSKIHTGNZ-CQSZACIVSA-N 0 3 258.406 2.338 10 0 CEAEHN CCCCCN(C)CC[C@](C)([NH2+]CCC)C(=O)[O-] ZINC000045268190 175341038 /nfs/dbraw/zinc/34/10/38/175341038.db2.gz BMCQUXDRBKWTQE-AWEZNQCLSA-N 0 3 258.406 2.341 10 0 CEAEHN CCN[C@@](CN(C)C(CC)CC)(C(N)=O)c1ccccc1 ZINC000045269590 175341791 /nfs/dbraw/zinc/34/17/91/175341791.db2.gz PEAAEMILYYYDNP-QGZVFWFLSA-N 0 3 291.439 2.097 10 0 CEAEHN CCC1CCN(C[C@@](N)(C(=O)OC)c2ccccc2)CC1 ZINC000045281335 175352247 /nfs/dbraw/zinc/35/22/47/175352247.db2.gz JTNVBNAVTWEMQX-KRWDZBQOSA-N 0 3 290.407 2.136 10 0 CEAEHN CCCN[C@H](CN1CCCCCCC1)C(=O)OCC ZINC000045371273 175364175 /nfs/dbraw/zinc/36/41/75/175364175.db2.gz RWHONPDEGPPXDF-CQSZACIVSA-N 0 3 270.417 2.184 10 0 CEAEHN CCOC(=O)[C@@H](CN1CCCCCCC1)NC(C)C ZINC000045371299 175364213 /nfs/dbraw/zinc/36/42/13/175364213.db2.gz GOHSDZRBLORBGD-CQSZACIVSA-N 0 3 270.417 2.182 10 0 CEAEHN C[C@@]1(C(=O)N2CCC[C@H](OC3CCC3)C2)CCCCN1 ZINC000655494617 415306861 /nfs/dbraw/zinc/30/68/61/415306861.db2.gz DUNXDJKTZRMLCX-HOCLYGCPSA-N 0 3 280.412 2.079 10 0 CEAEHN N[C@@H](c1ccc2c(c1)OCCCO2)[C@@H]1CCCCO1 ZINC000050960721 175521612 /nfs/dbraw/zinc/52/16/12/175521612.db2.gz JCVFAKWEQWRFBU-ZFWWWQNUSA-N 0 3 263.337 2.417 10 0 CEAEHN N[C@@H](CNC(=O)CCc1ccccc1)c1ccccc1 ZINC000062838075 175675320 /nfs/dbraw/zinc/67/53/20/175675320.db2.gz XVDTUPJQMYAGQY-INIZCTEOSA-N 0 3 268.360 2.435 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CC2(CCC2)C1)C1CCCC1 ZINC000659279637 415486652 /nfs/dbraw/zinc/48/66/52/415486652.db2.gz AAVWMKXTQQBHNV-LLVKDONJSA-N 0 3 250.386 2.343 10 0 CEAEHN CCN[C@@H](Cc1cnccc1N)c1cc(C)ccn1 ZINC000070401267 175911135 /nfs/dbraw/zinc/91/11/35/175911135.db2.gz KRNSBDLZJZZRBR-HNNXBMFYSA-N 0 3 256.353 2.261 10 0 CEAEHN COc1ccc([C@@H](N)c2cc(C)cnc2N)cc1OC ZINC000070404442 175912533 /nfs/dbraw/zinc/91/25/33/175912533.db2.gz VGPNFGYLUYPTHW-CQSZACIVSA-N 0 3 273.336 2.038 10 0 CEAEHN NCc1ccnn1Cc1cccc(Br)c1 ZINC000070708278 176002601 /nfs/dbraw/zinc/00/26/01/176002601.db2.gz DGUREFHALVMMQG-UHFFFAOYSA-N 0 3 266.142 2.153 10 0 CEAEHN CCN[C@H]1CCN(c2ccc(C)c(Br)c2)C1=O ZINC000070940853 176014901 /nfs/dbraw/zinc/01/49/01/176014901.db2.gz RHOKPFFGKXZHPG-LBPRGKRZSA-N 0 3 297.196 2.472 10 0 CEAEHN CC(C)N[C@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000071032921 176023619 /nfs/dbraw/zinc/02/36/19/176023619.db2.gz AUQHNEISUBPRNJ-NSHDSACASA-N 0 3 254.280 2.068 10 0 CEAEHN Cc1nc(N2CCC[C@@H](NC3CC3)C2=O)sc1C ZINC000071037182 176026045 /nfs/dbraw/zinc/02/60/45/176026045.db2.gz ZOAJXJDFTWKMDZ-LLVKDONJSA-N 0 3 265.382 2.007 10 0 CEAEHN Cc1c(Cl)nnc(OC2CCN(C)CC2)c1C ZINC000071170898 176051548 /nfs/dbraw/zinc/05/15/48/176051548.db2.gz USRMMOMIJQRIQG-UHFFFAOYSA-N 0 3 255.749 2.220 10 0 CEAEHN Cc1c(Cl)nnc(OCCN2CCCC2)c1C ZINC000071170886 176051632 /nfs/dbraw/zinc/05/16/32/176051632.db2.gz PBLNBAHBTMNKKR-UHFFFAOYSA-N 0 3 255.749 2.221 10 0 CEAEHN CN(Cc1cccc(Cl)c1)c1cnc(CN)cn1 ZINC000071177868 176055721 /nfs/dbraw/zinc/05/57/21/176055721.db2.gz ORDIZNVDYWSGHW-UHFFFAOYSA-N 0 3 262.744 2.225 10 0 CEAEHN CC(=O)c1c(F)cccc1N(C)C[C@H]1CCN(C)C1 ZINC000071189375 176064315 /nfs/dbraw/zinc/06/43/15/176064315.db2.gz XYSNJHQDRPGDIR-LBPRGKRZSA-N 0 3 264.344 2.416 10 0 CEAEHN CCc1ccc(CN(CCOC)CCC(N)=S)s1 ZINC000071225997 176089813 /nfs/dbraw/zinc/08/98/13/176089813.db2.gz MDBWQQLZSJATHV-UHFFFAOYSA-N 0 3 286.466 2.435 10 0 CEAEHN C[C@H]1CCCN1Cc1ccc(F)cc1C(N)=S ZINC000071265858 176099468 /nfs/dbraw/zinc/09/94/68/176099468.db2.gz TZRROQKIKDSPHM-VIFPVBQESA-N 0 3 252.358 2.444 10 0 CEAEHN COc1ccc([C@@H]2CNC[C@@H](C3CC3)O2)cc1F ZINC000071308491 176116164 /nfs/dbraw/zinc/11/61/64/176116164.db2.gz YTUTUEGCTHFGQG-KBPBESRZSA-N 0 3 251.301 2.274 10 0 CEAEHN COc1ccc([C@@H]2CNC[C@@H](C3CC3)O2)c(OC)c1 ZINC000071308554 176116244 /nfs/dbraw/zinc/11/62/44/176116244.db2.gz NWHYVGUTITVLGR-GJZGRUSLSA-N 0 3 263.337 2.143 10 0 CEAEHN COc1ccc([C@@H]2CNC[C@H](C3CC3)O2)cc1F ZINC000071308487 176116268 /nfs/dbraw/zinc/11/62/68/176116268.db2.gz YTUTUEGCTHFGQG-KGLIPLIRSA-N 0 3 251.301 2.274 10 0 CEAEHN CC[C@H]1CCC[C@@H](N2CCN(CC(C)(C)O)CC2)C1 ZINC000071382257 176145708 /nfs/dbraw/zinc/14/57/08/176145708.db2.gz YFLMLAQMBIOVSL-LSDHHAIUSA-N 0 3 268.445 2.344 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1CNC ZINC000071403672 176155385 /nfs/dbraw/zinc/15/53/85/176155385.db2.gz BKPBAPOHUQOFQP-OLZOCXBDSA-N 0 3 278.396 2.396 10 0 CEAEHN COC(=O)[C@H](C)Oc1ccc(C)cc1CNC1CC1 ZINC000071406845 176156494 /nfs/dbraw/zinc/15/64/94/176156494.db2.gz MUTJISRVHDNCHG-NSHDSACASA-N 0 3 263.337 2.187 10 0 CEAEHN CC(=O)N1CCc2cc(N(C)C3CCN(C)CC3)ccc21 ZINC000071711318 176248722 /nfs/dbraw/zinc/24/87/22/176248722.db2.gz PJAIYAITTYSANP-UHFFFAOYSA-N 0 3 287.407 2.126 10 0 CEAEHN CN(C)CCN1CCc2c(Br)cccc2C1 ZINC000074449500 176553385 /nfs/dbraw/zinc/55/33/85/176553385.db2.gz HTMHMQBNTOBPOD-UHFFFAOYSA-N 0 3 283.213 2.369 10 0 CEAEHN C[C@@]1(C(=O)N2CCC[C@H](CCF)C2)CCCCN1 ZINC000662689752 415931312 /nfs/dbraw/zinc/93/13/12/415931312.db2.gz XGIAHTXKNFJWAL-OCCSQVGLSA-N 0 3 256.365 2.117 10 0 CEAEHN Cn1c(C[C@@H](N)c2ccccn2)nc2ccccc21 ZINC000075727799 176763894 /nfs/dbraw/zinc/76/38/94/176763894.db2.gz FGCWWPAUFPJTQE-LLVKDONJSA-N 0 3 252.321 2.211 10 0 CEAEHN N[C@@H](Cn1cccn1)c1ccc(Br)s1 ZINC000076413320 177021240 /nfs/dbraw/zinc/02/12/40/177021240.db2.gz YZCZVZKKAOIEBZ-ZETCQYMHSA-N 0 3 272.171 2.407 10 0 CEAEHN CN[C@@H](C)c1cn2cccc(Br)c2n1 ZINC000076792721 177097827 /nfs/dbraw/zinc/09/78/27/177097827.db2.gz MMUBXVKGDRXBFQ-ZETCQYMHSA-N 0 3 254.131 2.377 10 0 CEAEHN COC[C@](C)(N)c1cc(Br)cs1 ZINC000077430005 177266580 /nfs/dbraw/zinc/26/65/80/177266580.db2.gz KRLMOZAHQGNVFQ-QMMMGPOBSA-N 0 3 250.161 2.331 10 0 CEAEHN C[C@]1(C(=O)Nc2cccc(F)c2F)CCCCN1 ZINC000136158162 419440645 /nfs/dbraw/zinc/44/06/45/419440645.db2.gz IJRHQCYHBVCAAM-CYBMUJFWSA-N 0 3 254.280 2.436 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F ZINC000262095352 270330229 /nfs/dbraw/zinc/33/02/29/270330229.db2.gz BLJOYGRTXCPUBD-LEWSCRJBSA-N 0 3 282.359 2.145 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000194343507 270297611 /nfs/dbraw/zinc/29/76/11/270297611.db2.gz JSTATUMQSZXILN-GFCCVEGCSA-N 0 3 295.358 2.440 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCc2cccc(F)c2F)C1 ZINC000195183468 270307014 /nfs/dbraw/zinc/30/70/14/270307014.db2.gz OCSRHSGRQIDXRD-ZDUSSCGKSA-N 0 3 296.361 2.498 10 0 CEAEHN CCn1cncc1CNCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000227668923 270311601 /nfs/dbraw/zinc/31/16/01/270311601.db2.gz WPIMBIXSXGEGNN-GFCCVEGCSA-N 0 3 296.415 2.296 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@H](O)C2CCC2)c1C ZINC000316292789 270334292 /nfs/dbraw/zinc/33/42/92/270334292.db2.gz ZLVGFNRAAPBEMH-YGRLFVJLSA-N 0 3 265.401 2.331 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CSc3ccccc32)C1 ZINC000118330099 273808362 /nfs/dbraw/zinc/80/83/62/273808362.db2.gz XZAYIHJESMLHPM-YPMHNXCESA-N 0 3 276.405 2.038 10 0 CEAEHN CCC[C@@H](C(=O)OCC)N1CCC[C@H]1Cn1ccnc1C ZINC000247153348 276021577 /nfs/dbraw/zinc/02/15/77/276021577.db2.gz UJUDRVBBYNQFRJ-GJZGRUSLSA-N 0 3 293.411 2.388 10 0 CEAEHN CCC[C@H](C(=O)N[C@H]1CCOc2c(F)cccc21)N(C)C ZINC000189021753 276039023 /nfs/dbraw/zinc/03/90/23/276039023.db2.gz FSECNEBMNOBOEV-UONOGXRCSA-N 0 3 294.370 2.496 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1c(C)nsc1NC ZINC000176964185 276181412 /nfs/dbraw/zinc/18/14/12/276181412.db2.gz CXDQERDGWHYMHJ-NSHDSACASA-N 0 3 296.440 2.050 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2c(F)cccc2Cl)CCO1 ZINC000128142719 276806558 /nfs/dbraw/zinc/80/65/58/276806558.db2.gz PXMLMXMWFAFXEU-NSHDSACASA-N 0 3 286.778 2.242 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)C1 ZINC000170861246 276871802 /nfs/dbraw/zinc/87/18/02/276871802.db2.gz FFOOEIJFBSEVHB-SCOAYWHSSA-N 0 3 295.386 2.411 10 0 CEAEHN CC(=O)c1ccc(N[C@H]2CN(C(C)C)C[C@H]2C)nc1 ZINC000181212800 277113108 /nfs/dbraw/zinc/11/31/08/277113108.db2.gz IGTJRBJVFOZURB-RISCZKNCSA-N 0 3 261.369 2.425 10 0 CEAEHN CN1CCO[C@@H](CN[C@H]2CCc3c2cccc3Cl)C1 ZINC000246516923 277120068 /nfs/dbraw/zinc/12/00/68/277120068.db2.gz BYFMXRXMBVOZST-NHYWBVRUSA-N 0 3 280.799 2.248 10 0 CEAEHN CN1c2ccccc2[C@H](NCC2CCOCC2)CC1=O ZINC000111153881 277218678 /nfs/dbraw/zinc/21/86/78/277218678.db2.gz VMABGLUUROYQKW-CQSZACIVSA-N 0 3 274.364 2.110 10 0 CEAEHN COCCn1c(N)ncc1-c1ccc(Cl)cc1 ZINC000004678838 277242648 /nfs/dbraw/zinc/24/26/48/277242648.db2.gz MHILWEBJKVUJIT-UHFFFAOYSA-N 0 3 251.717 2.432 10 0 CEAEHN COc1cccc2c1CC[C@@H](N[C@@H]1CCCn3ncnc31)C2 ZINC000192444365 278032503 /nfs/dbraw/zinc/03/25/03/278032503.db2.gz RLINFABYJSENNL-UKRRQHHQSA-N 0 3 298.390 2.269 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000263466683 279059711 /nfs/dbraw/zinc/05/97/11/279059711.db2.gz CTWOJDVEVJDUKP-ABXWRUBCSA-N 0 3 268.401 2.092 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CCSC1 ZINC000123031430 279122706 /nfs/dbraw/zinc/12/27/06/279122706.db2.gz CIPOCZWHBXLHAI-CHWSQXEVSA-N 0 3 287.473 2.110 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1COc2ccccc21 ZINC000113156320 279130773 /nfs/dbraw/zinc/13/07/73/279130773.db2.gz FKYBSECRASLUNX-UKRRQHHQSA-N 0 3 290.407 2.255 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCC1CC1 ZINC000073722186 279665168 /nfs/dbraw/zinc/66/51/68/279665168.db2.gz MWBQILTXKFXADV-CYBMUJFWSA-N 0 3 255.406 2.062 10 0 CEAEHN CCCn1c(CNCC2CC(O)C2)nc2ccccc21 ZINC000091423442 279708620 /nfs/dbraw/zinc/70/86/20/279708620.db2.gz UWBHPYJWUAFCLB-UHFFFAOYSA-N 0 3 273.380 2.307 10 0 CEAEHN C[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1c(F)cccc1F ZINC000134602301 280026936 /nfs/dbraw/zinc/02/69/36/280026936.db2.gz DMRSGSIJHFUKCU-QWRGUYRKSA-N 0 3 282.334 2.231 10 0 CEAEHN Cc1ncc(C(=O)N[C@H](CC(C)C)CN(C)C)s1 ZINC000195356366 280202621 /nfs/dbraw/zinc/20/26/21/280202621.db2.gz VZKGBLGEFJYCIR-LLVKDONJSA-N 0 3 269.414 2.158 10 0 CEAEHN OC1CC(CNCc2cc(Cl)cc3c2OCC3)C1 ZINC000228477447 280217281 /nfs/dbraw/zinc/21/72/81/280217281.db2.gz YSAJPCCHALKDLE-UHFFFAOYSA-N 0 3 267.756 2.135 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245716520 280257982 /nfs/dbraw/zinc/25/79/82/280257982.db2.gz UENKAHDZUFMIIC-LXTVHRRPSA-N 0 3 299.459 2.218 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC[C@H]1CCCO1 ZINC000249494036 280399891 /nfs/dbraw/zinc/39/98/91/280399891.db2.gz VUFWEGNCMPWBLH-YJNKXOJESA-N 0 3 281.396 2.362 10 0 CEAEHN Cc1ccc(C)c(NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000118786380 280797226 /nfs/dbraw/zinc/79/72/26/280797226.db2.gz GAGNUZIVOHJVFJ-CQSZACIVSA-N 0 3 291.395 2.098 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@H]2CCCO2)c1C ZINC000045167763 288756415 /nfs/dbraw/zinc/75/64/15/288756415.db2.gz DUWWGBIPJDWSBO-GXFFZTMASA-N 0 3 251.374 2.349 10 0 CEAEHN CCc1noc(C)c1NC(=O)N[C@H]1CCCN(CC)C1 ZINC000155303209 289170530 /nfs/dbraw/zinc/17/05/30/289170530.db2.gz SLOSUFXBPSFWKI-NSHDSACASA-N 0 3 280.372 2.151 10 0 CEAEHN CC(=O)[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)C1(C)C ZINC000155948891 289186277 /nfs/dbraw/zinc/18/62/77/289186277.db2.gz ODCUTIBLPWJMLQ-MHEUCROKSA-N 0 3 294.439 2.083 10 0 CEAEHN C[C@H](N)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000237411117 289764819 /nfs/dbraw/zinc/76/48/19/289764819.db2.gz XQNIQKUXMIHCDG-JTQLQIEISA-N 0 3 276.336 2.404 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)NC1C2CC3CC(C2)CC1C3 ZINC000091135081 295539460 /nfs/dbraw/zinc/53/94/60/295539460.db2.gz XMMVXNFEADHPPW-GMDIISMXSA-N 0 3 294.464 2.022 10 0 CEAEHN C[C@@H]1COC[C@@H](C)N1CCCOCC(F)(F)F ZINC000077369897 297148797 /nfs/dbraw/zinc/14/87/97/297148797.db2.gz VOGAEZUOKLGFIU-NXEZZACHSA-N 0 3 255.280 2.065 10 0 CEAEHN COc1nc(N(C)C)sc1CNC[C@@H](C)CSC ZINC000069436343 524976213 /nfs/dbraw/zinc/97/62/13/524976213.db2.gz XLCAFSPNBDLSMR-SECBINFHSA-N 0 3 289.470 2.306 10 0 CEAEHN C[C@H]1C[C@H](NC(=O)N2CC[C@H](N(C)C)C2)C[C@@H](C)C1 ZINC000246776263 300512138 /nfs/dbraw/zinc/51/21/38/300512138.db2.gz BUKCLRAFRIXQBO-DGAVXFQQSA-N 0 3 267.417 2.157 10 0 CEAEHN CCc1nc(CN(C)C(=O)[C@@]2(C)CCCCN2)cs1 ZINC000393245325 329085268 /nfs/dbraw/zinc/08/52/68/329085268.db2.gz SFCMDKORIFQADB-CQSZACIVSA-N 0 3 281.425 2.196 10 0 CEAEHN CC(=O)c1sc(N2CCC[C@@H]2CN(C)C)nc1C ZINC000061655422 518497525 /nfs/dbraw/zinc/49/75/25/518497525.db2.gz NZVHNNARVGAFHJ-LLVKDONJSA-N 0 3 267.398 2.185 10 0 CEAEHN CC(C)[NH2+][C@H](CCN(C)CC1CCCCC1)C(=O)[O-] ZINC000062526693 519737832 /nfs/dbraw/zinc/73/78/32/519737832.db2.gz WCGGCKZCIRRKJK-CQSZACIVSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@H](CC[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000062526693 519737834 /nfs/dbraw/zinc/73/78/34/519737834.db2.gz WCGGCKZCIRRKJK-CQSZACIVSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@H](CC[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000062526693 519737835 /nfs/dbraw/zinc/73/78/35/519737835.db2.gz WCGGCKZCIRRKJK-CQSZACIVSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)[NH2+][C@H](CCN(C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456670 519738116 /nfs/dbraw/zinc/73/81/16/519738116.db2.gz JUIZLCUGAOALBZ-NWDGAFQWSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)N[C@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456670 519738117 /nfs/dbraw/zinc/73/81/17/519738117.db2.gz JUIZLCUGAOALBZ-NWDGAFQWSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)N[C@H](CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456670 519738118 /nfs/dbraw/zinc/73/81/18/519738118.db2.gz JUIZLCUGAOALBZ-NWDGAFQWSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)[C@H](C)N(C)Cc1cccnc1C(N)=S ZINC000061659747 519811827 /nfs/dbraw/zinc/81/18/27/519811827.db2.gz JRRPWSIKVZOCQO-JTQLQIEISA-N 0 3 251.399 2.192 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)N ZINC000062745687 519893486 /nfs/dbraw/zinc/89/34/86/519893486.db2.gz HYXIUJUWAKCESG-ZJUUUORDSA-N 0 3 268.332 2.139 10 0 CEAEHN CCNCc1cc(CN2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000052380841 519991549 /nfs/dbraw/zinc/99/15/49/519991549.db2.gz RUHACQAGJRSBLR-TXEJJXNPSA-N 0 3 266.385 2.307 10 0 CEAEHN CCNCc1cnc(N2CCCSCC2)s1 ZINC000054909465 520016337 /nfs/dbraw/zinc/01/63/37/520016337.db2.gz CJRJAFXEVRHVPJ-UHFFFAOYSA-N 0 3 257.428 2.196 10 0 CEAEHN CCCN[C@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525121 520068566 /nfs/dbraw/zinc/06/85/66/520068566.db2.gz ASXWHLKLDCKORI-JXQTWKCFSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@H](CC[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525121 520068575 /nfs/dbraw/zinc/06/85/75/520068575.db2.gz ASXWHLKLDCKORI-JXQTWKCFSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC[NH2+][C@H](CCN(C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525121 520068584 /nfs/dbraw/zinc/06/85/84/520068584.db2.gz ASXWHLKLDCKORI-JXQTWKCFSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC[NH2+][C@H](CCN1CCCC[C@@H]1CC)C(=O)[O-] ZINC000062446145 520075151 /nfs/dbraw/zinc/07/51/51/520075151.db2.gz HBWFIAWIRXMYQF-QWHCGFSZSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Sc1cccc(OC)c1)C(N)=O ZINC000068634264 520147940 /nfs/dbraw/zinc/14/79/40/520147940.db2.gz NFAITBODKLDVJJ-NHYWBVRUSA-N 0 3 296.436 2.419 10 0 CEAEHN CCCC[C@H](N)C(=O)Nc1ccccc1[C@H](C)O ZINC000049547481 521215273 /nfs/dbraw/zinc/21/52/73/521215273.db2.gz XOVMPUIWPKVCQP-JQWIXIFHSA-N 0 3 250.342 2.196 10 0 CEAEHN CCN(Cc1occc1CNC)CC(F)(F)F ZINC000052503039 521470246 /nfs/dbraw/zinc/47/02/46/521470246.db2.gz DMXVHULDGQNRBL-UHFFFAOYSA-N 0 3 250.264 2.383 10 0 CEAEHN CCC(CC)N(CCOC)Cc1cccnc1N ZINC000052730236 521558760 /nfs/dbraw/zinc/55/87/60/521558760.db2.gz OXDLMLXIBMKNHV-UHFFFAOYSA-N 0 3 251.374 2.301 10 0 CEAEHN CCCN(CC)C[C@@](NCC)(C(=O)OCC)C1CC1 ZINC000069098110 521611973 /nfs/dbraw/zinc/61/19/73/521611973.db2.gz UYRQHUXIJKXWRK-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@H]2CCCCC2=O)CC1 ZINC000055071473 522125038 /nfs/dbraw/zinc/12/50/38/522125038.db2.gz DTQVAQVTBWVQGF-ZIAGYGMSSA-N 0 3 252.402 2.162 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2cccc(N)c2C)CC1 ZINC000055063520 522126198 /nfs/dbraw/zinc/12/61/98/522126198.db2.gz WCUZBKHHEAIATA-CYBMUJFWSA-N 0 3 261.413 2.493 10 0 CEAEHN COC[C@@H](C)N(C)Cc1ccoc1CNCC(C)C ZINC000052511965 522218668 /nfs/dbraw/zinc/21/86/68/522218668.db2.gz NBJWDQDSDUXTPK-CYBMUJFWSA-N 0 3 268.401 2.492 10 0 CEAEHN CCc1nc(N(CCOC)[C@@H](C)CC)sc1CN ZINC000055001134 522384016 /nfs/dbraw/zinc/38/40/16/522384016.db2.gz AOAMLSVMGINQDX-JTQLQIEISA-N 0 3 271.430 2.416 10 0 CEAEHN CCCN[C@@H](C)[C@@H](C)S(=O)(=O)c1ccccc1F ZINC000081922868 517588419 /nfs/dbraw/zinc/58/84/19/517588419.db2.gz CSCZTGJMWZWUKF-WDEREUQCSA-N 0 3 273.373 2.376 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@@H](C)C(=O)NC1CCCCC1 ZINC000049555897 519342057 /nfs/dbraw/zinc/34/20/57/519342057.db2.gz GRJDQAITMJVQBQ-GOEBONIOSA-N 0 3 297.487 2.390 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCc1nccn1C(F)F ZINC000049555913 519342114 /nfs/dbraw/zinc/34/21/14/519342114.db2.gz WUVUBMXPIYNXSV-LLVKDONJSA-N 0 3 274.359 2.344 10 0 CEAEHN CC(C)CN1C(=O)C[C@H](N)[C@H]1c1ccc(F)c(F)c1 ZINC000070294361 519719318 /nfs/dbraw/zinc/71/93/18/519719318.db2.gz JREKDXVRYDTITJ-GXTWGEPZSA-N 0 3 268.307 2.222 10 0 CEAEHN CC(C)NCc1cnc(N2CCO[C@H]3CCC[C@@H]32)s1 ZINC000054907052 519728749 /nfs/dbraw/zinc/72/87/49/519728749.db2.gz JSUAGQCGDGGYAL-STQMWFEESA-N 0 3 281.425 2.399 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN(C)CC1CCCCC1)C(=O)[O-] ZINC000062526687 519734272 /nfs/dbraw/zinc/73/42/72/519734272.db2.gz WCGGCKZCIRRKJK-AWEZNQCLSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@@H](CC[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000062526687 519734275 /nfs/dbraw/zinc/73/42/75/519734275.db2.gz WCGGCKZCIRRKJK-AWEZNQCLSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@@H](CC[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000062526687 519734277 /nfs/dbraw/zinc/73/42/77/519734277.db2.gz WCGGCKZCIRRKJK-AWEZNQCLSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@@H](CCSc1cc(F)ccc1F)C(N)=O ZINC000062600690 519734681 /nfs/dbraw/zinc/73/46/81/519734681.db2.gz GLMZHARWOBVYCV-NSHDSACASA-N 0 3 288.363 2.299 10 0 CEAEHN CC(C)N[C@@](C)(C[C@@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656464 519736403 /nfs/dbraw/zinc/73/64/03/519736403.db2.gz IBXGVTJCOBIOMM-ABAIWWIYSA-N 0 3 282.359 2.225 10 0 CEAEHN CC(C)N[C@@](CSCc1ccco1)(C(N)=O)C1CC1 ZINC000069184291 519737602 /nfs/dbraw/zinc/73/76/02/519737602.db2.gz NIDODLFDESRIQE-CQSZACIVSA-N 0 3 282.409 2.145 10 0 CEAEHN CC(C)N[C@H](CCOc1cccc2ccccc21)C(N)=O ZINC000062550548 519738417 /nfs/dbraw/zinc/73/84/17/519738417.db2.gz JVEZXOGDMQTBRV-OAHLLOKOSA-N 0 3 286.375 2.461 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)CCc1cccc(N)c1 ZINC000049561759 519775231 /nfs/dbraw/zinc/77/52/31/519775231.db2.gz QZFGMCDVXZMFED-INIZCTEOSA-N 0 3 291.439 2.294 10 0 CEAEHN CC(C)Oc1ccc([C@H](N)CN2C[C@@H](C)CC2=O)cc1 ZINC000062816486 519781920 /nfs/dbraw/zinc/78/19/20/519781920.db2.gz DRCAZUDQYXMYNF-SWLSCSKDSA-N 0 3 276.380 2.342 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000061291921 519906904 /nfs/dbraw/zinc/90/69/04/519906904.db2.gz QSRYPCWWNZAYRZ-UHFFFAOYSA-N 0 3 280.368 2.339 10 0 CEAEHN CCCNCc1ccc(CN(CCCOC)CCOC)o1 ZINC000052543238 519947047 /nfs/dbraw/zinc/94/70/47/519947047.db2.gz DDWJJOGAGQUXDK-UHFFFAOYSA-N 0 3 298.427 2.264 10 0 CEAEHN CCN(C(=O)[C@@H](C)NC)[C@@H](C)c1ccc(F)cc1 ZINC000054075259 520012648 /nfs/dbraw/zinc/01/26/48/520012648.db2.gz LJUQVHJVVHKKGI-MNOVXSKESA-N 0 3 252.333 2.343 10 0 CEAEHN CCCN[C@@H](c1ccc2c(c1)CCO2)[C@@H]1COCCO1 ZINC000055300470 520017227 /nfs/dbraw/zinc/01/72/27/520017227.db2.gz BUQASXQQETVKCR-HOTGVXAUSA-N 0 3 277.364 2.078 10 0 CEAEHN CCNCc1occc1CN(C)CC(F)(F)F ZINC000052483290 520029614 /nfs/dbraw/zinc/02/96/14/520029614.db2.gz SVYYYLOKAPHEEA-UHFFFAOYSA-N 0 3 250.264 2.383 10 0 CEAEHN CCNCc1occc1Cn1nnc2ccccc21 ZINC000052576610 520031674 /nfs/dbraw/zinc/03/16/74/520031674.db2.gz BGZIYYZCUQKBSP-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CCNCc1occc1CN(C)[C@@H]1CCSC1 ZINC000052453272 520031766 /nfs/dbraw/zinc/03/17/66/520031766.db2.gz AGVDTSVCLWALTP-GFCCVEGCSA-N 0 3 254.399 2.326 10 0 CEAEHN CCC[NH2+][C@@](C)(C[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000068620368 520041114 /nfs/dbraw/zinc/04/11/14/520041114.db2.gz SEKPGRBXDUAMDF-OCCSQVGLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@H]1COc2cc(OC[C@@H]3CCOC3)ccc21 ZINC000062804579 520124271 /nfs/dbraw/zinc/12/42/71/520124271.db2.gz GOMMEGAXTUNWSY-BXUZGUMPSA-N 0 3 263.337 2.145 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCC(=O)OC ZINC000062746961 520177982 /nfs/dbraw/zinc/17/79/82/520177982.db2.gz OPEZEZQKRWSNSW-SECBINFHSA-N 0 3 255.289 2.048 10 0 CEAEHN CCN[C@H](C)c1cccc(S(=O)(=O)NC2CCC2)c1 ZINC000052212686 520179533 /nfs/dbraw/zinc/17/95/33/520179533.db2.gz VGWDUYLTQYCCRP-LLVKDONJSA-N 0 3 282.409 2.188 10 0 CEAEHN CCN[C@H](C)c1cnc(N(CC)CCOC)s1 ZINC000054908265 520181254 /nfs/dbraw/zinc/18/12/54/520181254.db2.gz RSIYPIMHUMESDY-SNVBAGLBSA-N 0 3 257.403 2.286 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCN(C3CC3)CC2)s1 ZINC000054909513 520181938 /nfs/dbraw/zinc/18/19/38/520181938.db2.gz ZEALKKLZJORNBP-LLVKDONJSA-N 0 3 280.441 2.098 10 0 CEAEHN CCN[C@H](c1ccc(CC)cc1)[C@@H](C)S(C)(=O)=O ZINC000054930475 520207555 /nfs/dbraw/zinc/20/75/55/520207555.db2.gz ZDSZVLIIBOJOFJ-RISCZKNCSA-N 0 3 269.410 2.333 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCCCO1 ZINC000050962160 520210408 /nfs/dbraw/zinc/21/04/08/520210408.db2.gz PTBZYXPJGQUPDF-DOTOQJQBSA-N 0 3 288.391 2.425 10 0 CEAEHN CCN[C@H]1CCN([C@@H]2CCCc3sccc32)C1=O ZINC000061363717 520216544 /nfs/dbraw/zinc/21/65/44/520216544.db2.gz JZVZKPSCCLMESQ-NWDGAFQWSA-N 0 3 264.394 2.336 10 0 CEAEHN CCN[C@](C)(COc1cccc2ccccc21)C(N)=O ZINC000045519082 520233683 /nfs/dbraw/zinc/23/36/83/520233683.db2.gz CLLBQDUZDKDTKA-MRXNPFEDSA-N 0 3 272.348 2.072 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(=O)[O-] ZINC000068647959 520235367 /nfs/dbraw/zinc/23/53/67/520235367.db2.gz QISDOWIHTRYOSK-MLGOLLRUSA-N 0 3 282.428 2.340 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1cc(C)cc(C)c1)C(N)=O ZINC000068656143 520239887 /nfs/dbraw/zinc/23/98/87/520239887.db2.gz QELGDISZLDGWJW-XJKSGUPXSA-N 0 3 278.396 2.314 10 0 CEAEHN CCN[C@](CSc1cccc(OC)c1)(C(N)=O)C1CC1 ZINC000069186424 520253711 /nfs/dbraw/zinc/25/37/11/520253711.db2.gz MYTOMNOBWHMBCS-HNNXBMFYSA-N 0 3 294.420 2.031 10 0 CEAEHN CCCO[C@H]1CCCN([C@@H](CN)c2ccoc2)C1 ZINC000063047881 520288225 /nfs/dbraw/zinc/28/82/25/520288225.db2.gz UNCPGCOIXMVDBK-KBPBESRZSA-N 0 3 252.358 2.170 10 0 CEAEHN CCNc1ccc(C(=O)N[C@@H](C)CN2CCCC2)cc1 ZINC000050787864 520290838 /nfs/dbraw/zinc/29/08/38/520290838.db2.gz REWMNKHLPYLKEK-ZDUSSCGKSA-N 0 3 275.396 2.333 10 0 CEAEHN CCNc1ncccc1CN1CCN(C(C)C)CC1 ZINC000052721142 520379096 /nfs/dbraw/zinc/37/90/96/520379096.db2.gz ODNDQUDDVZRFAP-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN CCN(CC(C)C)c1ncc(CNCCOC)s1 ZINC000054902178 520415810 /nfs/dbraw/zinc/41/58/10/520415810.db2.gz IFQURVZELRKAHI-UHFFFAOYSA-N 0 3 271.430 2.361 10 0 CEAEHN CCN(CC(F)(F)F)C(=O)[C@H](CN)c1ccccc1 ZINC000061613006 520417542 /nfs/dbraw/zinc/41/75/42/520417542.db2.gz OXJPWBJLOZVZGI-LLVKDONJSA-N 0 3 274.286 2.140 10 0 CEAEHN CCC[C@@H](C)N(C)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069100172 520644676 /nfs/dbraw/zinc/64/46/76/520644676.db2.gz COJHSDXRUJMOCE-MLGOLLRUSA-N 0 3 282.428 2.181 10 0 CEAEHN CCC[C@@H](N)[C@@H](CC)S(=O)(=O)c1ccccc1 ZINC000061702547 520727012 /nfs/dbraw/zinc/72/70/12/520727012.db2.gz WBHOZLYUJJXKGL-CHWSQXEVSA-N 0 3 255.383 2.366 10 0 CEAEHN CCN(CC1CC1)[C@@H](CN)c1cc(OC)ccc1OC ZINC000069237594 520965477 /nfs/dbraw/zinc/96/54/77/520965477.db2.gz DJZICVYJEXJEFV-HNNXBMFYSA-N 0 3 278.396 2.436 10 0 CEAEHN CCC[C@H](N[C@H](C)C(=O)NCCOC)c1cccs1 ZINC000049545056 521172444 /nfs/dbraw/zinc/17/24/44/521172444.db2.gz UYLWSVZEYPDBJL-NEPJUHHUSA-N 0 3 284.425 2.330 10 0 CEAEHN CCOc1ccc([C@@H](NC)[C@H]2COCCO2)cc1OCC ZINC000055299474 521231020 /nfs/dbraw/zinc/23/10/20/521231020.db2.gz JTQDPKPSUUQUCI-HZPDHXFCSA-N 0 3 295.379 2.160 10 0 CEAEHN CCOC(=O)[C@H](CCN1CC[C@H](c2ccccc2)C1)NC ZINC000062530870 521245433 /nfs/dbraw/zinc/24/54/33/521245433.db2.gz KEBAKGDSJDGYDU-HOTGVXAUSA-N 0 3 290.407 2.017 10 0 CEAEHN CCOc1cccc(CNC2CC2)c1OCCC(=O)OC ZINC000069317012 521360496 /nfs/dbraw/zinc/36/04/96/521360496.db2.gz YIISUXKYTWYVFR-UHFFFAOYSA-N 0 3 293.363 2.279 10 0 CEAEHN CCN(Cc1occc1CNC)Cc1ccncc1 ZINC000052514926 521469243 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CN1c2ccc([C@@H](N)c3ccoc3)cc2CCC1=O ZINC000062806378 524032908 /nfs/dbraw/zinc/03/29/08/524032908.db2.gz PJFVFBYLVIBVPR-OAHLLOKOSA-N 0 3 256.305 2.237 10 0 CEAEHN CNC(=O)[C@@H](C)Oc1cc(OC)ccc1CNC(C)(C)C ZINC000062733107 524080845 /nfs/dbraw/zinc/08/08/45/524080845.db2.gz FQPJJIZDEZEQCA-LLVKDONJSA-N 0 3 294.395 2.097 10 0 CEAEHN COc1ccc(Cl)cc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069132685 524195014 /nfs/dbraw/zinc/19/50/14/524195014.db2.gz XXOQBYAWBJAWCA-NXEZZACHSA-N 0 3 282.771 2.171 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1c[nH]c2ccccc12 ZINC000049189000 524314054 /nfs/dbraw/zinc/31/40/54/524314054.db2.gz BXTKPBFEPQRJJC-GFCCVEGCSA-N 0 3 271.364 2.382 10 0 CEAEHN C[C@H](CN1CCCCC1)N[C@H](C)C(=O)Nc1ccccc1 ZINC000049501966 524333773 /nfs/dbraw/zinc/33/37/73/524333773.db2.gz ABRHQRRHLZTMNQ-HUUCEWRRSA-N 0 3 289.423 2.478 10 0 CEAEHN C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(CN)c2)C[C@@H]1C ZINC000068583084 524423706 /nfs/dbraw/zinc/42/37/06/524423706.db2.gz CYXIUZLDCGHYJF-OBJOEFQTSA-N 0 3 296.436 2.248 10 0 CEAEHN Cc1ccc(CN)cc1NC(=O)Cc1cccc(O)c1 ZINC000050430600 524425014 /nfs/dbraw/zinc/42/50/14/524425014.db2.gz FETUIARTHFQBGP-UHFFFAOYSA-N 0 3 270.332 2.341 10 0 CEAEHN C[C@@H]1CCN([C@@H](CN)c2cc(F)c(F)c(F)c2)C1 ZINC000062710271 524524225 /nfs/dbraw/zinc/52/42/25/524524225.db2.gz PYDPVPGWEZTPSB-PELKAZGASA-N 0 3 258.287 2.446 10 0 CEAEHN Cc1cc(CN)nc(-c2nccc3ccccc32)n1 ZINC000069316167 524671118 /nfs/dbraw/zinc/67/11/18/524671118.db2.gz DSEDNQPYDPEYNO-UHFFFAOYSA-N 0 3 250.305 2.459 10 0 CEAEHN C[C@H](Cc1c(F)cccc1F)NCc1cnccn1 ZINC000054766497 524687807 /nfs/dbraw/zinc/68/78/07/524687807.db2.gz XIUWYOMUFKIGJK-SNVBAGLBSA-N 0 3 263.291 2.476 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1ccc(Br)cc1)C(N)=O ZINC000049525852 524748929 /nfs/dbraw/zinc/74/89/29/524748929.db2.gz BPCPXKPKJSLVIJ-IUCAKERBSA-N 0 3 285.185 2.221 10 0 CEAEHN Cc1cc(CNC2CC2)nc(-c2ncccc2C)n1 ZINC000054832008 524753326 /nfs/dbraw/zinc/75/33/26/524753326.db2.gz ZTEPZUQPAJDJNY-UHFFFAOYSA-N 0 3 254.337 2.407 10 0 CEAEHN C[C@H](N)c1cc(Cl)ccc1O[C@H]1CCOC1=O ZINC000050209326 524862423 /nfs/dbraw/zinc/86/24/23/524862423.db2.gz ZRDUSRCMMJHNGC-CPCISQLKSA-N 0 3 255.701 2.054 10 0 CEAEHN C[C@H](N)c1ccc(F)cc1OCC(=O)N1CCCCC1 ZINC000062745956 524865520 /nfs/dbraw/zinc/86/55/20/524865520.db2.gz ZMYILJOSXVINTM-NSHDSACASA-N 0 3 280.343 2.237 10 0 CEAEHN C[C@@H]1CN(c2cc(Cl)ccc2CN)CCCO1 ZINC000062787059 525062110 /nfs/dbraw/zinc/06/21/10/525062110.db2.gz JTWUBMYHKMSMPA-SNVBAGLBSA-N 0 3 254.761 2.414 10 0 CEAEHN C[C@@H]1CN(c2cc(Cl)ccc2CN)C[C@H](C)O1 ZINC000062786720 525062252 /nfs/dbraw/zinc/06/22/52/525062252.db2.gz PMLDYQZNMUPUTR-AOOOYVTPSA-N 0 3 254.761 2.412 10 0 CEAEHN Cc1ccc(NC(=O)CN[C@H](CC(C)C)CN(C)C)cc1 ZINC000049556011 525065515 /nfs/dbraw/zinc/06/55/15/525065515.db2.gz RLDWOOCARASBCW-MRXNPFEDSA-N 0 3 291.439 2.499 10 0 CEAEHN C[C@@H]1CN(c2nc(C3CC3)c(CN)s2)CCCO1 ZINC000069182154 525072853 /nfs/dbraw/zinc/07/28/53/525072853.db2.gz IVCZFDUXMSCAAW-SECBINFHSA-N 0 3 267.398 2.094 10 0 CEAEHN COc1ccc([C@@H](N)c2ccc3[nH]c(=O)oc3c2)cc1F ZINC000061668856 525192146 /nfs/dbraw/zinc/19/21/46/525192146.db2.gz LLNXMICNKJOBIN-CQSZACIVSA-N 0 3 288.278 2.317 10 0 CEAEHN COc1ccc([C@H](N)c2cncc(F)c2)cc1OC ZINC000049576135 525363113 /nfs/dbraw/zinc/36/31/13/525363113.db2.gz DKUKEZVNUHPUBW-AWEZNQCLSA-N 0 3 262.284 2.286 10 0 CEAEHN C[C@H](NS(=O)(=O)c1cccc(CN)c1)C1CCCCC1 ZINC000052341337 525509095 /nfs/dbraw/zinc/50/90/95/525509095.db2.gz JLCHBORBRONRHM-LBPRGKRZSA-N 0 3 296.436 2.392 10 0 CEAEHN Cc1c(CNC(C)C)cnn1[C@@H]1CCCC[C@H]1O ZINC000054600043 525723259 /nfs/dbraw/zinc/72/32/59/525723259.db2.gz ZIPBAGYRYJLWHA-ZIAGYGMSSA-N 0 3 251.374 2.166 10 0 CEAEHN C[C@@H](O)c1ccc(NC(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000061655763 525869639 /nfs/dbraw/zinc/86/96/39/525869639.db2.gz RJYMUFMWIZPTJF-DOMZBBRYSA-N 0 3 291.395 2.298 10 0 CEAEHN C[C@@H](O)c1ccccc1NC(=O)C1(N)CCCCC1 ZINC000049547403 525870946 /nfs/dbraw/zinc/87/09/46/525870946.db2.gz GYBJQGWTNVHEFA-LLVKDONJSA-N 0 3 262.353 2.340 10 0 CEAEHN C[C@@H](O)c1ccccc1NC(=O)[C@H](CN)c1ccccc1 ZINC000061612924 525872670 /nfs/dbraw/zinc/87/26/70/525872670.db2.gz PPCMMHGMDMXCGK-IUODEOHRSA-N 0 3 284.359 2.421 10 0 CEAEHN Cc1ccc(C(=O)N(C)c2cccc(CN)c2)c(C)n1 ZINC000061950444 526067247 /nfs/dbraw/zinc/06/72/47/526067247.db2.gz SUNOALAHNHYISW-UHFFFAOYSA-N 0 3 269.348 2.434 10 0 CEAEHN C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H]1CCCO ZINC000052762988 526163090 /nfs/dbraw/zinc/16/30/90/526163090.db2.gz YIAGLOWXYDZDEW-UKRRQHHQSA-N 0 3 276.380 2.251 10 0 CEAEHN C[C@H](c1nc([C@@H]2CCOC2)no1)[C@H](N)c1ccccc1 ZINC000157960091 526177829 /nfs/dbraw/zinc/17/78/29/526177829.db2.gz OYSICQBDVDGGNA-UHTWSYAYSA-N 0 3 273.336 2.377 10 0 CEAEHN c1c(N2CCNCC2)n[nH]c1C12CC3CC(CC(C3)C1)C2 ZINC000062669853 526402228 /nfs/dbraw/zinc/40/22/28/526402228.db2.gz DKJGSCSIQYVRCM-UHFFFAOYSA-N 0 3 286.423 2.287 10 0 CEAEHN O=C(CN1CC[C@@H](N2CCCC2)C1)c1ccc(F)cc1F ZINC000062981529 526801582 /nfs/dbraw/zinc/80/15/82/526801582.db2.gz AQVRBOVJQDJXEW-CYBMUJFWSA-N 0 3 294.345 2.318 10 0 CEAEHN Cc1nc(C[C@H]2CCCO2)nc(C)c1CNC(C)C ZINC000054854305 526923247 /nfs/dbraw/zinc/92/32/47/526923247.db2.gz FBNJRKUNLQWAQE-CYBMUJFWSA-N 0 3 263.385 2.313 10 0 CEAEHN NC(=O)[C@H](N)CCSc1cc(Cl)ccc1Cl ZINC000062598316 526994198 /nfs/dbraw/zinc/99/41/98/526994198.db2.gz QZGOEDIYIRBDHJ-MRVPVSSYSA-N 0 3 279.192 2.288 10 0 CEAEHN O=C(COc1ccccc1)Nc1ccc2c(c1)CNCC2 ZINC000069052563 526985196 /nfs/dbraw/zinc/98/51/96/526985196.db2.gz DZHYKLAVOSOZHR-UHFFFAOYSA-N 0 3 282.343 2.350 10 0 CEAEHN NCc1cc(CN2CCC[C@H]2c2cccnc2)ccn1 ZINC000068749628 527248058 /nfs/dbraw/zinc/24/80/58/527248058.db2.gz NQOBRBJCADZQNA-INIZCTEOSA-N 0 3 268.364 2.272 10 0 CEAEHN NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000054716818 527263566 /nfs/dbraw/zinc/26/35/66/527263566.db2.gz LJCZGYLQEKIUIR-UHFFFAOYSA-N 0 3 255.243 2.409 10 0 CEAEHN NCc1occc1CN1CCN(c2ccccc2)CC1 ZINC000052417314 527269344 /nfs/dbraw/zinc/26/93/44/527269344.db2.gz GPAPKTRIEUUDTE-UHFFFAOYSA-N 0 3 271.364 2.061 10 0 CEAEHN N[C@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054681929 527392064 /nfs/dbraw/zinc/39/20/64/527392064.db2.gz BWRHOZKZKTVQEU-CABCVRRESA-N 0 3 257.289 2.149 10 0 CEAEHN Cn1ccnc1[C@H](N)Cc1ccc(F)cc1Cl ZINC000069473872 527463282 /nfs/dbraw/zinc/46/32/82/527463282.db2.gz TXHBZKNZTFXQBE-LLVKDONJSA-N 0 3 253.708 2.455 10 0 CEAEHN Nc1cc2ccccc2c(=O)n1CCN1CCCCC1 ZINC000049575427 527463754 /nfs/dbraw/zinc/46/37/54/527463754.db2.gz CSQNDUBUIBSTFB-UHFFFAOYSA-N 0 3 271.364 2.070 10 0 CEAEHN Cc1nn(C)c(N(C)C(C)C)c1CNCC(C)C ZINC000062734548 527670123 /nfs/dbraw/zinc/67/01/23/527670123.db2.gz ZHAIRCCDDZUKOE-UHFFFAOYSA-N 0 3 252.406 2.319 10 0 CEAEHN FC(F)(F)COCCNCc1ccc2c(c1)OCO2 ZINC000061674798 527670936 /nfs/dbraw/zinc/67/09/36/527670936.db2.gz JJMXBGPYDWHXSN-UHFFFAOYSA-N 0 3 277.242 2.084 10 0 CEAEHN FC(F)(F)CO[C@H]1CCC[C@H](NCc2cncnc2)C1 ZINC000054767841 527671851 /nfs/dbraw/zinc/67/18/51/527671851.db2.gz DKXNXBYNBPCDIP-RYUDHWBXSA-N 0 3 289.301 2.456 10 0 CEAEHN Cc1nn(C)c(N2CC[C@H](C)C2)c1CNCC(C)C ZINC000062736633 527676955 /nfs/dbraw/zinc/67/69/55/527676955.db2.gz IHKCSTUYOLKEGQ-LBPRGKRZSA-N 0 3 264.417 2.320 10 0 CEAEHN O[C@@]1(c2cccc3cnccc32)CCN(C2CC2)C1 ZINC000061988525 527682074 /nfs/dbraw/zinc/68/20/74/527682074.db2.gz SMMDQGXMJUKKCQ-INIZCTEOSA-N 0 3 254.333 2.291 10 0 CEAEHN CCC[C@H](C(=O)N1CCO[C@@H](c2cccs2)C1)N(C)C ZINC000155003407 527974970 /nfs/dbraw/zinc/97/49/70/527974970.db2.gz BGRMHRIXUPAGFK-CHWSQXEVSA-N 0 3 296.436 2.378 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCSc2ccccn2)C1 ZINC000152295651 529052249 /nfs/dbraw/zinc/05/22/49/529052249.db2.gz DBXCHPHKFCOKLB-CYBMUJFWSA-N 0 3 293.436 2.164 10 0 CEAEHN CCO[C@H]1CCCN(c2cncc(CNC(C)(C)C)n2)C1 ZINC000091421052 535621359 /nfs/dbraw/zinc/62/13/59/535621359.db2.gz HYIDASPRVMLTHK-AWEZNQCLSA-N 0 3 292.427 2.370 10 0 CEAEHN CN[C@H]1CCCN(c2cccc3ccc(C)nc32)C1=O ZINC000071031459 536415317 /nfs/dbraw/zinc/41/53/17/536415317.db2.gz BNBLGJDZTVVBFR-ZDUSSCGKSA-N 0 3 269.348 2.258 10 0 CEAEHN COc1ccccc1N1CCN([C@H]2CCC[C@H](O)C2)CC1 ZINC000093731516 537071538 /nfs/dbraw/zinc/07/15/38/537071538.db2.gz XLPROLVZOLIHLN-GJZGRUSLSA-N 0 3 290.407 2.121 10 0 CEAEHN COc1cccc(N2CCN(CC(C)(C)C(C)=O)CC2)c1 ZINC000091401909 537123345 /nfs/dbraw/zinc/12/33/45/537123345.db2.gz NOPXTZREEOUSPL-UHFFFAOYSA-N 0 3 290.407 2.432 10 0 CEAEHN Cc1ccnc(CN2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000328170350 538838423 /nfs/dbraw/zinc/83/84/23/538838423.db2.gz KLSZEMQTQJUMOR-HOCLYGCPSA-N 0 3 259.397 2.449 10 0 CEAEHN N[C@H](CC1CCCCC1)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000261768338 623450095 /nfs/dbraw/zinc/45/00/95/623450095.db2.gz VRDXZOJSKKDRPH-OWCLPIDISA-N 0 3 294.439 2.454 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1cnn(C)n1 ZINC000311093606 628361840 /nfs/dbraw/zinc/36/18/40/628361840.db2.gz RMNCYKUZFTVEKR-KWCYVHTRSA-N 0 3 250.390 2.366 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(COC)cc2)C1 ZINC000192511017 628381233 /nfs/dbraw/zinc/38/12/33/628381233.db2.gz KSWVQJXPYBNBIE-OAHLLOKOSA-N 0 3 291.395 2.439 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cc(C)no1 ZINC000094434278 628714452 /nfs/dbraw/zinc/71/44/52/628714452.db2.gz PDECIHNETMOXCZ-ZIAGYGMSSA-N 0 3 263.385 2.432 10 0 CEAEHN CCC1CCC(c2noc([C@H](CN)OC)n2)CC1 ZINC000227299303 639580488 /nfs/dbraw/zinc/58/04/88/639580488.db2.gz ONJBUVVZXOQSDC-ILDUYXDCSA-N 0 3 253.346 2.400 10 0 CEAEHN CC(C)Cc1nnc(NC(=O)[C@H]2C[C@H](C)CCN2)s1 ZINC000230295188 639753563 /nfs/dbraw/zinc/75/35/63/639753563.db2.gz MRQARUHBJLKYLJ-NXEZZACHSA-N 0 3 282.413 2.063 10 0 CEAEHN C[C@@H](N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019475020 649376420 /nfs/dbraw/zinc/37/64/20/649376420.db2.gz SOPGEVJJXMXDGC-KUWSCQPZSA-N 0 3 250.386 2.055 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NCC[S@](C)=O ZINC000131423253 652424253 /nfs/dbraw/zinc/42/42/53/652424253.db2.gz QFTCVEPTWBHJNK-PIGZYNQJSA-N 0 3 255.383 2.114 10 0 CEAEHN CNCc1sc(N2CCCC[C@H]2C)nc1COC ZINC000082447159 178025748 /nfs/dbraw/zinc/02/57/48/178025748.db2.gz HSDNPLPMMXYWDF-SNVBAGLBSA-N 0 3 269.414 2.388 10 0 CEAEHN CCCOCCOc1ncc(Br)cc1CN ZINC000082534134 178089180 /nfs/dbraw/zinc/08/91/80/178089180.db2.gz CNTOVVQZOMKIAS-UHFFFAOYSA-N 0 3 289.173 2.108 10 0 CEAEHN NCc1cn(-c2ccccc2Br)cn1 ZINC000082555816 178091681 /nfs/dbraw/zinc/09/16/81/178091681.db2.gz LHZFBONMQHZGQV-UHFFFAOYSA-N 0 3 252.115 2.094 10 0 CEAEHN c1nc(CCNC2=NC[C@H](C3CC3)S2)cs1 ZINC000082626564 178140342 /nfs/dbraw/zinc/14/03/42/178140342.db2.gz JWLVMCZVJVWQEK-SNVBAGLBSA-N 0 3 253.396 2.157 10 0 CEAEHN CN1c2ccc([C@H](N)c3ccccc3)cc2CC1=O ZINC000034940646 361798292 /nfs/dbraw/zinc/79/82/92/361798292.db2.gz PNMXAHZLEFKVQJ-MRXNPFEDSA-N 0 3 252.317 2.254 10 0 CEAEHN Cn1cc([C@H](N)Cc2c(F)cccc2Cl)cn1 ZINC000034957610 361800135 /nfs/dbraw/zinc/80/01/35/361800135.db2.gz IWKTYQFZDKMZIT-GFCCVEGCSA-N 0 3 253.708 2.455 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC[C@H](OCC)C1CCCC1 ZINC000121717503 365606009 /nfs/dbraw/zinc/60/60/09/365606009.db2.gz PGTLDFGTPNKIGX-KGLIPLIRSA-N 0 3 270.417 2.215 10 0 CEAEHN CC(C)Nc1cccc(C(=O)N(C)C2CCN(C)CC2)n1 ZINC000096779279 185113072 /nfs/dbraw/zinc/11/30/72/185113072.db2.gz IRKXXYHCAOHLFG-UHFFFAOYSA-N 0 3 290.411 2.068 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccccc2C2CC2)C1 ZINC000122002375 539032482 /nfs/dbraw/zinc/03/24/82/539032482.db2.gz IFMQAFHBOXKMFO-INIZCTEOSA-N 0 3 274.408 2.374 10 0 CEAEHN Cc1cc(C(=O)N(C)C[C@@H]2CCN(C)C2)cc(Cl)n1 ZINC000125801275 187200811 /nfs/dbraw/zinc/20/08/11/187200811.db2.gz RVNANVWZUNEMIH-LLVKDONJSA-N 0 3 281.787 2.067 10 0 CEAEHN N[C@@H]1C[C@]12CNc1ccc(Br)c(Cl)c12 ZINC000725247694 539192563 /nfs/dbraw/zinc/19/25/63/539192563.db2.gz UVCTXCZXPHUPRR-XCBNKYQSSA-N 0 3 273.561 2.497 10 0 CEAEHN OC[C@@H]1CCCC[C@@H]1NCc1ccncc1Cl ZINC000231041990 539227791 /nfs/dbraw/zinc/22/77/91/539227791.db2.gz OXDDSECIMSRMMV-AAEUAGOBSA-N 0 3 254.761 2.376 10 0 CEAEHN CN(Cc1ccccc1)C[C@H](O)CN1CCC[C@H]1C(F)F ZINC000677737830 539265949 /nfs/dbraw/zinc/26/59/49/539265949.db2.gz QMAZZVKVQFHPQC-GJZGRUSLSA-N 0 3 298.377 2.209 10 0 CEAEHN N[C@]1(c2nccs2)CCN(Cc2ccccc2)C1 ZINC000041182163 362024233 /nfs/dbraw/zinc/02/42/33/362024233.db2.gz PERQCIVNKOUVBQ-CQSZACIVSA-N 0 3 259.378 2.203 10 0 CEAEHN CS[C@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000042853430 362124593 /nfs/dbraw/zinc/12/45/93/362124593.db2.gz BRKTYVYGLWAQDX-DGCLKSJQSA-N 0 3 266.410 2.157 10 0 CEAEHN COC(=O)C[C@@H](N)c1cc(Br)ccc1OC ZINC000034961680 343421424 /nfs/dbraw/zinc/42/14/24/343421424.db2.gz DCBGEQZCKQFXFC-SECBINFHSA-N 0 3 288.141 2.021 10 0 CEAEHN COC(=O)C[C@H](N)c1cncc(CCc2ccccc2)c1 ZINC000038956999 343434861 /nfs/dbraw/zinc/43/48/61/343434861.db2.gz RLROAGNNUOVXCN-INIZCTEOSA-N 0 3 284.359 2.430 10 0 CEAEHN CNc1nc(NCc2ccccc2)nc(N2CCCC2)n1 ZINC000128083744 344334211 /nfs/dbraw/zinc/33/42/11/344334211.db2.gz ODOXHVRMCSKCGD-UHFFFAOYSA-N 0 3 284.367 2.126 10 0 CEAEHN Cc1cc(Cl)ccc1NC(=O)C(C)(C)N1CCNCC1 ZINC000129593629 344345074 /nfs/dbraw/zinc/34/50/74/344345074.db2.gz FIMSCMAJYBTCEK-UHFFFAOYSA-N 0 3 295.814 2.271 10 0 CEAEHN Cc1ccc([C@@H](CN)N(C)C)c(Br)c1 ZINC000129633030 344345595 /nfs/dbraw/zinc/34/55/95/344345595.db2.gz ORCYAGQIPSLZIJ-LLVKDONJSA-N 0 3 257.175 2.319 10 0 CEAEHN CCN1CCO[C@H](CNCc2cc(C)ccc2C)C1 ZINC000134435521 344373970 /nfs/dbraw/zinc/37/39/70/344373970.db2.gz CKKZADXQCIMLFQ-MRXNPFEDSA-N 0 3 262.397 2.114 10 0 CEAEHN COc1c(CNCC(C2CC2)C2CC2)c(C)nn1C ZINC000135235732 344380850 /nfs/dbraw/zinc/38/08/50/344380850.db2.gz MQENXNYGUMHNMW-UHFFFAOYSA-N 0 3 263.385 2.263 10 0 CEAEHN C[C@@H]1CN(c2ccccc2Br)N=C1N ZINC000137422087 344387996 /nfs/dbraw/zinc/38/79/96/344387996.db2.gz SANVNAQLIMWOTN-SSDOTTSWSA-N 0 3 254.131 2.177 10 0 CEAEHN CN1CCC[C@H]1CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000139250943 344392717 /nfs/dbraw/zinc/39/27/17/344392717.db2.gz YVJJOSMNCHTZEB-GOEBONIOSA-N 0 3 287.407 2.457 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCN2C)o1 ZINC000139395914 344393451 /nfs/dbraw/zinc/39/34/51/344393451.db2.gz OQYWSFDRPWFGCS-NWDGAFQWSA-N 0 3 265.357 2.042 10 0 CEAEHN O=C(c1cscc1Br)[C@@H]1CCCN1 ZINC000167658072 344479100 /nfs/dbraw/zinc/47/91/00/344479100.db2.gz QKGKYAVZLOMBEW-QMMMGPOBSA-N 0 3 260.156 2.445 10 0 CEAEHN Cc1ccc(CCC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170857062 344491666 /nfs/dbraw/zinc/49/16/66/344491666.db2.gz PEWWILGNODSTGE-HNNXBMFYSA-N 0 3 260.381 2.090 10 0 CEAEHN CCCC[C@H](CCC)NC(=O)C(C)(C)N1CCNCC1 ZINC000226069016 344548610 /nfs/dbraw/zinc/54/86/10/344548610.db2.gz YKVMNJXXFLSHGN-AWEZNQCLSA-N 0 3 283.460 2.145 10 0 CEAEHN CC[C@H](N[C@@H]1CCCNC1=O)c1ccc(F)cc1 ZINC000050394471 362418789 /nfs/dbraw/zinc/41/87/89/362418789.db2.gz QNQDEOMDCRPBSB-QWHCGFSZSA-N 0 3 250.317 2.145 10 0 CEAEHN NCc1cc(OC(F)(F)F)cnc1Br ZINC000238675306 344607746 /nfs/dbraw/zinc/60/77/46/344607746.db2.gz XVRPPCCSRRPWLX-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN CN(C)Cc1ccc(Br)cc1C(N)=S ZINC000307036053 344719665 /nfs/dbraw/zinc/71/96/65/344719665.db2.gz OCMDDJRAHJXBNS-UHFFFAOYSA-N 0 3 273.199 2.145 10 0 CEAEHN C[C@@H]1CSC2(CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000300895390 344702007 /nfs/dbraw/zinc/70/20/07/344702007.db2.gz VDAIDYULUDMVGG-SNVBAGLBSA-N 0 3 272.414 2.439 10 0 CEAEHN Cn1nc(CNC[C@@H](O)C(C)(C)C)c2ccccc21 ZINC000324255311 344754208 /nfs/dbraw/zinc/75/42/08/344754208.db2.gz FQRBBHITIJBTCT-CQSZACIVSA-N 0 3 261.369 2.070 10 0 CEAEHN CCCOc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000392927756 344839816 /nfs/dbraw/zinc/83/98/16/344839816.db2.gz CXZRRRPIDTYNEX-WFASDCNBSA-N 0 3 276.380 2.232 10 0 CEAEHN OCCN1CCC[C@H](NCc2c(F)cccc2Cl)C1 ZINC000394953081 344843783 /nfs/dbraw/zinc/84/37/83/344843783.db2.gz JFUAYJKXJMTQNN-NSHDSACASA-N 0 3 286.778 2.025 10 0 CEAEHN C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)NCCS2 ZINC000401678269 344869051 /nfs/dbraw/zinc/86/90/51/344869051.db2.gz FJLGRUPBJUJJFO-MFKMUULPSA-N 0 3 272.414 2.296 10 0 CEAEHN CN(C)C[C@H]1COc2ccccc2[C@]1(O)c1ccccc1 ZINC000584626321 344968432 /nfs/dbraw/zinc/96/84/32/344968432.db2.gz SLCBSKKXXYOQMP-YJBOKZPZSA-N 0 3 283.371 2.493 10 0 CEAEHN Cc1nn(-c2ccccc2)c(C)c1[C@H](CN)N(C)C ZINC000053994332 362503981 /nfs/dbraw/zinc/50/39/81/362503981.db2.gz XBBRAPNJUBMSAQ-AWEZNQCLSA-N 0 3 258.369 2.051 10 0 CEAEHN O=C(CCN1CCC[C@@H]1CCCO)c1ccccc1 ZINC000053932015 362502107 /nfs/dbraw/zinc/50/21/07/362502107.db2.gz IBGDELDNQNIXFI-OAHLLOKOSA-N 0 3 261.365 2.496 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)N1CCCCC1)C(=O)OCC ZINC000084302253 178850767 /nfs/dbraw/zinc/85/07/67/178850767.db2.gz VDAMZYYACJAXIA-HIFRSBDPSA-N 0 3 270.417 2.182 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)CC2CCCC2)C1 ZINC000057617705 362589757 /nfs/dbraw/zinc/58/97/57/362589757.db2.gz USMGJDVZZDOWDD-AWEZNQCLSA-N 0 3 267.417 2.302 10 0 CEAEHN CCOc1ccc([C@H](N)c2ccnnc2)cc1OCC ZINC000097123183 185541341 /nfs/dbraw/zinc/54/13/41/185541341.db2.gz VGTIDUBDIPHETI-HNNXBMFYSA-N 0 3 273.336 2.322 10 0 CEAEHN CS(=O)(=O)CCC[C@@H](N)c1cccc(Cl)c1F ZINC000084412732 178884786 /nfs/dbraw/zinc/88/47/86/178884786.db2.gz BTZULFCWLIPPLN-SNVBAGLBSA-N 0 3 279.764 2.304 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCSCCCO)c1C ZINC000151235499 232216041 /nfs/dbraw/zinc/21/60/41/232216041.db2.gz XSLXDNSLSKODEH-LLVKDONJSA-N 0 3 285.457 2.286 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2cnc(C(C)(C)C)s2)CCO1 ZINC000128248705 187359812 /nfs/dbraw/zinc/35/98/12/187359812.db2.gz LHYMMPXLDTVQIY-GFCCVEGCSA-N 0 3 297.468 2.203 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2cnc(C(C)(C)C)s2)CCO1 ZINC000128248943 187360069 /nfs/dbraw/zinc/36/00/69/187360069.db2.gz LHYMMPXLDTVQIY-LBPRGKRZSA-N 0 3 297.468 2.203 10 0 CEAEHN CCN(CC)C(C)(C)[C@H](Cc1c(F)cccc1F)NN ZINC000097581031 185629678 /nfs/dbraw/zinc/62/96/78/185629678.db2.gz ZDKBCMZMYCDCJI-AWEZNQCLSA-N 0 3 285.382 2.460 10 0 CEAEHN Cc1ccccc1OC[C@@](N)(CO)c1ccccc1 ZINC000085285003 179003056 /nfs/dbraw/zinc/00/30/56/179003056.db2.gz GSLIMRLNKGBZHY-INIZCTEOSA-N 0 3 257.333 2.220 10 0 CEAEHN CN[C@@](CO)(COc1ccccc1)c1ccccc1 ZINC000085285227 179003069 /nfs/dbraw/zinc/00/30/69/179003069.db2.gz XNQYWWFVPNNBBC-INIZCTEOSA-N 0 3 257.333 2.173 10 0 CEAEHN CO[C@H]1COCCN(Cc2c[nH]c3ccccc23)C1 ZINC000085435985 179062722 /nfs/dbraw/zinc/06/27/22/179062722.db2.gz HRRNPQNEWDGLFP-CYBMUJFWSA-N 0 3 260.337 2.015 10 0 CEAEHN Cn1cc(CN2C[C@H](c3ccccc3)NCC2(C)C)cn1 ZINC000085507717 179085692 /nfs/dbraw/zinc/08/56/92/179085692.db2.gz JUOJHAIPNXDHIY-MRXNPFEDSA-N 0 3 284.407 2.345 10 0 CEAEHN C[C@H](N[C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N1CCCCC1 ZINC000085674788 179111999 /nfs/dbraw/zinc/11/19/99/179111999.db2.gz NUMXMOFVNXPASS-AJNGGQMLSA-N 0 3 294.439 2.181 10 0 CEAEHN CN(C)c1ccncc1N[C@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085632080 179107742 /nfs/dbraw/zinc/10/77/42/179107742.db2.gz FBFQGZZIBKNDMY-SWHYSGLUSA-N 0 3 261.369 2.373 10 0 CEAEHN CCCN[C@@H](C(N)=O)c1ccc(Br)c(C)c1 ZINC000085707278 179121946 /nfs/dbraw/zinc/12/19/46/179121946.db2.gz JZMXXRBPGUYYNX-LLVKDONJSA-N 0 3 285.185 2.284 10 0 CEAEHN CN(C1CCCCC1)S(=O)(=O)Nc1ccccc1CN ZINC000085810680 179177554 /nfs/dbraw/zinc/17/75/54/179177554.db2.gz XDJAEFUGRNEBMS-UHFFFAOYSA-N 0 3 297.424 2.067 10 0 CEAEHN CN[C@H](CCO)C[S@@](=O)c1cc(Cl)ccc1Cl ZINC000085926728 179202262 /nfs/dbraw/zinc/20/22/62/179202262.db2.gz CVXQWVONMAGLJP-XLFHBGCDSA-N 0 3 296.219 2.071 10 0 CEAEHN C[C@H]1CN(c2ncc(Br)cc2CN)C[C@H]1C ZINC000086012401 179214610 /nfs/dbraw/zinc/21/46/10/179214610.db2.gz SAOQCLKGZJFOCF-DTORHVGOSA-N 0 3 284.201 2.395 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000086020334 179217774 /nfs/dbraw/zinc/21/77/74/179217774.db2.gz SYLYDXMIMIFCAT-JKSUJKDBSA-N 0 3 293.432 2.261 10 0 CEAEHN Cc1cccc(NC(=O)CNC[C@@H]2CCCC[C@@H]2O)c1 ZINC000085985789 179211811 /nfs/dbraw/zinc/21/18/11/179211811.db2.gz GBAQPAKQUTXXCE-ZFWWWQNUSA-N 0 3 276.380 2.074 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000086021192 179218753 /nfs/dbraw/zinc/21/87/53/179218753.db2.gz AJGLFTDVVMNZGH-HZPDHXFCSA-N 0 3 293.432 2.261 10 0 CEAEHN CCCN[C@@H](c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000086022334 179218802 /nfs/dbraw/zinc/21/88/02/179218802.db2.gz PRMUKPRDYAUJKC-WCQYABFASA-N 0 3 271.382 2.063 10 0 CEAEHN CCCN[C@@H](c1ccc(CC)o1)[C@H]1CCS(=O)(=O)C1 ZINC000086022623 179219028 /nfs/dbraw/zinc/21/90/28/179219028.db2.gz AFJGMWOCXATFKL-SMDDNHRTSA-N 0 3 285.409 2.317 10 0 CEAEHN Cc1cc(CN2CCN[C@@H](c3ccccc3)C2)on1 ZINC000086146397 179238479 /nfs/dbraw/zinc/23/84/79/179238479.db2.gz YXIBXGOTEBYEGY-OAHLLOKOSA-N 0 3 257.337 2.130 10 0 CEAEHN CC[C@H]1CC[C@H](NC(=O)c2ccc(CN)cn2)[C@@H]1C ZINC000086082851 179227920 /nfs/dbraw/zinc/22/79/20/179227920.db2.gz MDOYOBDOFJHJSY-WXHSDQCUSA-N 0 3 261.369 2.095 10 0 CEAEHN CC[C@@H]1CN[C@@H](c2ccccc2)CN1Cc1nc(C)no1 ZINC000086260311 179259352 /nfs/dbraw/zinc/25/93/52/179259352.db2.gz QGZIUOMFSOKVES-HUUCEWRRSA-N 0 3 286.379 2.303 10 0 CEAEHN Cc1nccc(CN2C[C@H](c3ccccc3)NC[C@@H]2C)n1 ZINC000086260183 179259599 /nfs/dbraw/zinc/25/95/99/179259599.db2.gz RBFDQZHOTAEWMK-SUMWQHHRSA-N 0 3 282.391 2.320 10 0 CEAEHN CN(c1nc(Br)cs1)C1CCN(C)CC1 ZINC000086279278 179262735 /nfs/dbraw/zinc/26/27/35/179262735.db2.gz DEMAEIUAUVLNFP-UHFFFAOYSA-N 0 3 290.230 2.436 10 0 CEAEHN CN[C@@H]1CCCc2sc(N(C)Cc3cnn(C)c3)nc21 ZINC000086443779 179293487 /nfs/dbraw/zinc/29/34/87/179293487.db2.gz OLHFBHSPMAYOEG-LLVKDONJSA-N 0 3 291.424 2.110 10 0 CEAEHN CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3N)CCN1C ZINC000086444158 179293769 /nfs/dbraw/zinc/29/37/69/179293769.db2.gz DPGHZHBLIQCFEA-MNOVXSKESA-N 0 3 280.441 2.010 10 0 CEAEHN CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(OC)cc1[O-] ZINC000086446954 179295825 /nfs/dbraw/zinc/29/58/25/179295825.db2.gz LUOINPCLEVDBMH-NWDGAFQWSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)[C@H](CC)CN1 ZINC000086446985 179295744 /nfs/dbraw/zinc/29/57/44/179295744.db2.gz FUAQJBBQQXIYJC-ZIAGYGMSSA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1ccc(OC)cc1 ZINC000086447180 179295768 /nfs/dbraw/zinc/29/57/68/179295768.db2.gz RCQXXKDZAZUMGE-LSDHHAIUSA-N 0 3 290.407 2.227 10 0 CEAEHN COC(OC)[C@@H](N)Cc1ccc(F)cc1Br ZINC000086451792 179296630 /nfs/dbraw/zinc/29/66/30/179296630.db2.gz ROVOTBOFFILFDJ-JTQLQIEISA-N 0 3 292.148 2.077 10 0 CEAEHN COc1ccc([C@H](O)c2cnccc2N)cc1Cl ZINC000086596263 179310811 /nfs/dbraw/zinc/31/08/11/179310811.db2.gz ZERNREBDQBRFHS-ZDUSSCGKSA-N 0 3 264.712 2.408 10 0 CEAEHN CN1CCC[C@@](O)(c2ccc3c(c2)OCCCO3)CC1 ZINC000086834190 179350149 /nfs/dbraw/zinc/35/01/49/179350149.db2.gz CQPPLQRBDFUZQV-INIZCTEOSA-N 0 3 277.364 2.151 10 0 CEAEHN CC(C)C[C@H]([NH2+][C@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086843285 179353595 /nfs/dbraw/zinc/35/35/95/179353595.db2.gz HSXIBYQEATXGGH-KBPBESRZSA-N 0 3 270.417 2.338 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CCC)CC(=O)[O-])CC1 ZINC000086869056 179362947 /nfs/dbraw/zinc/36/29/47/179362947.db2.gz TUTJQHQQFXBGMC-CYBMUJFWSA-N 0 3 256.390 2.048 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CCC)CC(=O)[O-])CC1 ZINC000086869056 179362948 /nfs/dbraw/zinc/36/29/48/179362948.db2.gz TUTJQHQQFXBGMC-CYBMUJFWSA-N 0 3 256.390 2.048 10 0 CEAEHN CCOC(=O)[C@@]1(N[C@H](C)CC)CCCN(CC)CC1 ZINC000086850532 179358258 /nfs/dbraw/zinc/35/82/58/179358258.db2.gz YSBOUCOXYFQKBL-UKRRQHHQSA-N 0 3 270.417 2.182 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1ccccc1F ZINC000086979546 179373092 /nfs/dbraw/zinc/37/30/92/179373092.db2.gz QVLXZOBWAYLNMC-LBPRGKRZSA-N 0 3 259.346 2.040 10 0 CEAEHN CN[C@]1(c2nc3c(s2)CCC3)CCCOCC1 ZINC000086876943 179365201 /nfs/dbraw/zinc/36/52/01/179365201.db2.gz XRKYIBKLAUFSCH-CYBMUJFWSA-N 0 3 252.383 2.247 10 0 CEAEHN COc1ccc(Br)c(C=C2CNC2)c1 ZINC000086881992 179365386 /nfs/dbraw/zinc/36/53/86/179365386.db2.gz RPZCFOSVBQWNGL-UHFFFAOYSA-N 0 3 254.127 2.444 10 0 CEAEHN CN[C@H](c1cncc(F)c1)[C@H]1CSCCS1 ZINC000086985062 179373694 /nfs/dbraw/zinc/37/36/94/179373694.db2.gz KRJCJUIYFDNRNS-GHMZBOCLSA-N 0 3 258.387 2.330 10 0 CEAEHN CN[C@H]1CC(C)(C)Cc2nc(CCCOC)ncc21 ZINC000086971277 179370740 /nfs/dbraw/zinc/37/07/40/179370740.db2.gz WPPLHTRCICZWGK-LBPRGKRZSA-N 0 3 263.385 2.289 10 0 CEAEHN C[C@H]1SCCC[C@]1(CO)NCc1cccs1 ZINC000086968901 179370760 /nfs/dbraw/zinc/37/07/60/179370760.db2.gz YWQRXDATWZPHNF-ZYHUDNBSSA-N 0 3 257.424 2.484 10 0 CEAEHN CS(=O)(=O)c1ccc([C@@H]2CNCC3(CCCC3)O2)cc1 ZINC000087007792 179378712 /nfs/dbraw/zinc/37/87/12/179378712.db2.gz GLMBRANIRCHSTO-AWEZNQCLSA-N 0 3 295.404 2.064 10 0 CEAEHN CC1(C)CCC(O)(CNC[C@H](O)c2ccco2)CC1 ZINC000087063587 179390129 /nfs/dbraw/zinc/39/01/29/179390129.db2.gz IYUHCGZGJIVYJW-LBPRGKRZSA-N 0 3 267.369 2.234 10 0 CEAEHN O=C(CNCC1(O)CCCCCC1)Nc1ccccc1F ZINC000087089351 179393618 /nfs/dbraw/zinc/39/36/18/179393618.db2.gz QWDQOTDPCGUOHQ-UHFFFAOYSA-N 0 3 294.370 2.439 10 0 CEAEHN CSC[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000066829126 362887732 /nfs/dbraw/zinc/88/77/32/362887732.db2.gz BJTKXUMPIUXXEO-VXGBXAGGSA-N 0 3 260.447 2.078 10 0 CEAEHN CCCOc1ccc([C@@H](CC(=O)OC)NC)cc1 ZINC000087552863 179445390 /nfs/dbraw/zinc/44/53/90/179445390.db2.gz DGEJPDKKQKGJEX-CYBMUJFWSA-N 0 3 251.326 2.299 10 0 CEAEHN CC(C)(C)N1CCOCC[C@@H]1c1ccccc1C(N)=O ZINC000616655989 348549850 /nfs/dbraw/zinc/54/98/50/348549850.db2.gz OZZIFDHNWIIWAM-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN CC[C@@H]1CCOCCN1CCNC(=O)OC(C)(C)C ZINC000616598093 348529311 /nfs/dbraw/zinc/52/93/11/348529311.db2.gz NYUDAGGQUVZMTP-GFCCVEGCSA-N 0 3 272.389 2.012 10 0 CEAEHN CC(C)(C)OC(=O)NCCN1CCC[C@@H](F)CC1 ZINC000616601226 348530819 /nfs/dbraw/zinc/53/08/19/348530819.db2.gz MITBFEFWUYTBGL-LLVKDONJSA-N 0 3 260.353 2.335 10 0 CEAEHN OCCN1CCC[C@@H](c2ccnc3ccccc32)C1 ZINC000616609280 348533341 /nfs/dbraw/zinc/53/33/41/348533341.db2.gz OSNZCZZEKSTBAP-CYBMUJFWSA-N 0 3 256.349 2.407 10 0 CEAEHN CCOC(=O)c1cccc([C@H]2CCCN(CCO)C2)c1 ZINC000616617748 348535518 /nfs/dbraw/zinc/53/55/18/348535518.db2.gz IXYHCAHVFAMFOP-HNNXBMFYSA-N 0 3 277.364 2.035 10 0 CEAEHN OCCN1CCC(c2cnc3ccccc3c2)CC1 ZINC000616619084 348536352 /nfs/dbraw/zinc/53/63/52/348536352.db2.gz BLXOWOQWCJWTSJ-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN OCCc1ccc([C@@H]2c3ccccc3CCN2CCO)cc1 ZINC000616679856 348558982 /nfs/dbraw/zinc/55/89/82/348558982.db2.gz ZHCQELHGBXTZQW-LJQANCHMSA-N 0 3 297.398 2.161 10 0 CEAEHN CCN1CCO[C@H](c2cnnc3ccccc32)CC1 ZINC000616686995 348561050 /nfs/dbraw/zinc/56/10/50/348561050.db2.gz OZEDNLDKFKIWGO-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CCCNCc1ccnn1Cc1c(Cl)c(C)nn1C ZINC000089256992 179761427 /nfs/dbraw/zinc/76/14/27/179761427.db2.gz JRRSAFHRDJUXIF-UHFFFAOYSA-N 0 3 281.791 2.126 10 0 CEAEHN Cn1nc(CNC[C@@H]2CCC[C@@H]2CO)c2ccccc21 ZINC000089498509 179804293 /nfs/dbraw/zinc/80/42/93/179804293.db2.gz GWRTXQMVHDFDNZ-QWHCGFSZSA-N 0 3 273.380 2.072 10 0 CEAEHN CN1C(=O)CC[C@@H](N[C@H]2CCCCc3ccccc32)C1=O ZINC000090023092 179906518 /nfs/dbraw/zinc/90/65/18/179906518.db2.gz WUDRNUNZKAQYCE-LSDHHAIUSA-N 0 3 286.375 2.191 10 0 CEAEHN CCN[C@H]1COC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000090473583 179989746 /nfs/dbraw/zinc/98/97/46/179989746.db2.gz WDOMXTVXACXECK-NEPJUHHUSA-N 0 3 293.754 2.482 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1csc(C(F)(F)F)c1 ZINC000623768398 350108166 /nfs/dbraw/zinc/10/81/66/350108166.db2.gz UZEPJWYYPBKCMU-IUCAKERBSA-N 0 3 281.299 2.006 10 0 CEAEHN C[C@@]1(c2nc3c(cccc3F)n2C2CC2)COC[C@H]1N ZINC000090571799 180007851 /nfs/dbraw/zinc/00/78/51/180007851.db2.gz HMWGGKWIJUQIBE-IUODEOHRSA-N 0 3 275.327 2.126 10 0 CEAEHN Cc1cccc(C(C)C)c1NC(=O)[C@]1(C)COC[C@@H]1N ZINC000090580742 180008876 /nfs/dbraw/zinc/00/88/76/180008876.db2.gz ONLZSOYVNGGFCO-XJKSGUPXSA-N 0 3 276.380 2.421 10 0 CEAEHN CC(C)NC(=O)N1CCCSC[C@@H]1CN1CCCCC1 ZINC000090701790 180027957 /nfs/dbraw/zinc/02/79/57/180027957.db2.gz XJJRSASUSLRJDR-AWEZNQCLSA-N 0 3 299.484 2.398 10 0 CEAEHN O=S(=O)(CC[C@H]1CCCC[NH2+]1)[N-]c1ccsc1 ZINC000090868007 180048563 /nfs/dbraw/zinc/04/85/63/180048563.db2.gz BDNQFXPWAPAQEO-SNVBAGLBSA-N 0 3 274.411 2.022 10 0 CEAEHN Cc1ncc(CNC2CC2)n1C[C@H]1Cc2ccccc2O1 ZINC000090877819 180052066 /nfs/dbraw/zinc/05/20/66/180052066.db2.gz KUTZIZDWBUIKJR-MRXNPFEDSA-N 0 3 283.375 2.447 10 0 CEAEHN COC(=O)C1CCN(C[C@@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090900778 180058620 /nfs/dbraw/zinc/05/86/20/180058620.db2.gz MTBZMWCATAZNOK-HNNXBMFYSA-N 0 3 289.375 2.184 10 0 CEAEHN Cc1ccc2c(c1)C[C@@H](CN1CCCC[C@@H]1CO)O2 ZINC000090900906 180058805 /nfs/dbraw/zinc/05/88/05/180058805.db2.gz SUNJZUIGEYJGED-CABCVRRESA-N 0 3 261.365 2.145 10 0 CEAEHN CCN(CCC(=O)OC)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900801 180059049 /nfs/dbraw/zinc/05/90/49/180059049.db2.gz BDKPYGJADMQDJV-AWEZNQCLSA-N 0 3 277.364 2.184 10 0 CEAEHN NC[C@@H](c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905715 180059736 /nfs/dbraw/zinc/05/97/36/180059736.db2.gz JWGSDHXTFVGADL-WDMOLILDSA-N 0 3 284.762 2.342 10 0 CEAEHN CCCOc1ccc([C@@H](N)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906073 180060737 /nfs/dbraw/zinc/06/07/37/180060737.db2.gz CPUWYNNKNHGSSJ-BBWFWOEESA-N 0 3 290.407 2.338 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@@H](C)[C@H]1CCCO1 ZINC000090961360 180076329 /nfs/dbraw/zinc/07/63/29/180076329.db2.gz XMWONSLDMDDFIB-XHDPSFHLSA-N 0 3 262.353 2.302 10 0 CEAEHN NCc1cccc(C(=O)NC[C@@H]2Cc3ccccc32)c1 ZINC000090992110 180081569 /nfs/dbraw/zinc/08/15/69/180081569.db2.gz FBSVSHQHEDABDU-HNNXBMFYSA-N 0 3 266.344 2.215 10 0 CEAEHN NC(=O)c1ccc(F)c(CNC[C@H]2Cc3ccccc32)c1 ZINC000090992880 180082284 /nfs/dbraw/zinc/08/22/84/180082284.db2.gz JNXPNDGVLYUROG-CYBMUJFWSA-N 0 3 284.334 2.354 10 0 CEAEHN CCn1nc(C)c(Br)c1Cn1cccc1CN ZINC000090995126 180082731 /nfs/dbraw/zinc/08/27/31/180082731.db2.gz LMYSQLCJBLFKMT-UHFFFAOYSA-N 0 3 297.200 2.282 10 0 CEAEHN CCCn1ccc(CNCCC(=O)N(CC)CC)c1 ZINC000091012264 180086398 /nfs/dbraw/zinc/08/63/98/180086398.db2.gz QFWPLDWDVWCIJB-UHFFFAOYSA-N 0 3 265.401 2.246 10 0 CEAEHN C[C@H](NCc1c[nH]c2ncccc12)C(=O)N1CCCCC1 ZINC000091017324 180086909 /nfs/dbraw/zinc/08/69/09/180086909.db2.gz UDQVLBJIEURMLA-LBPRGKRZSA-N 0 3 286.379 2.054 10 0 CEAEHN c1cc2c(cn1)nc(C[C@H]1CSCCN1)n2C1CC1 ZINC000091128707 180100317 /nfs/dbraw/zinc/10/03/17/180100317.db2.gz MLEPQEPHNPSHPZ-JTQLQIEISA-N 0 3 274.393 2.014 10 0 CEAEHN Cn1c(C[C@@H]2CSCCN2)nc2cc(Cl)ccc21 ZINC000091128540 180100533 /nfs/dbraw/zinc/10/05/33/180100533.db2.gz QTSPNSFDSGBEMI-SNVBAGLBSA-N 0 3 281.812 2.474 10 0 CEAEHN CCSc1ccccc1NC(=O)C[C@H]1CNCCO1 ZINC000091300509 180128039 /nfs/dbraw/zinc/12/80/39/180128039.db2.gz LVXDUHYGRWRVIG-NSHDSACASA-N 0 3 280.393 2.116 10 0 CEAEHN CC(C)NCc1cncc(O[C@H](C)C(F)(F)F)n1 ZINC000091435610 180154335 /nfs/dbraw/zinc/15/43/35/180154335.db2.gz VWXVXURVRKNEJA-MRVPVSSYSA-N 0 3 263.263 2.304 10 0 CEAEHN C[C@@H](N)c1c(F)cccc1N(C)CC1CC(O)C1 ZINC000091460533 180161398 /nfs/dbraw/zinc/16/13/98/180161398.db2.gz PVGOECMKZADKEY-KPPDAEKUSA-N 0 3 252.333 2.053 10 0 CEAEHN Cc1ccnc(N)c1[C@@H](N)C(C)(C)N1CCCCC1 ZINC000091564378 180193253 /nfs/dbraw/zinc/19/32/53/180193253.db2.gz WEFNJBSMCNAHJA-CYBMUJFWSA-N 0 3 262.401 2.237 10 0 CEAEHN CCn1cc([C@H](NC)C(C)(C)N2CCCCC2)cn1 ZINC000091564948 180193742 /nfs/dbraw/zinc/19/37/42/180193742.db2.gz NJCDJQZHJBYFGK-AWEZNQCLSA-N 0 3 264.417 2.428 10 0 CEAEHN CC(C)([C@@H](N)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091566266 180194152 /nfs/dbraw/zinc/19/41/52/180194152.db2.gz FBKXMSMRDIAXMX-ZDUSSCGKSA-N 0 3 270.323 2.075 10 0 CEAEHN CN[C@@H](c1cccc(F)c1F)C(C)(C)N1CCOCC1 ZINC000091566715 180195158 /nfs/dbraw/zinc/19/51/58/180195158.db2.gz PTSIJJWUUFEURF-AWEZNQCLSA-N 0 3 284.350 2.336 10 0 CEAEHN CCN[C@@H](c1cnccc1N)[C@@](C)(CC)N(C)C ZINC000091571211 180195707 /nfs/dbraw/zinc/19/57/07/180195707.db2.gz WNNFZCXFRMDGGQ-UONOGXRCSA-N 0 3 250.390 2.045 10 0 CEAEHN CC[C@](C)(C(=O)Cc1cc(C)nn1C)N1CCCC1 ZINC000091601666 180203383 /nfs/dbraw/zinc/20/33/83/180203383.db2.gz SFGISGUXPAIWAL-OAHLLOKOSA-N 0 3 263.385 2.105 10 0 CEAEHN CC[C@](C)(C(=O)Cc1cnccc1N)N1CCCCC1 ZINC000091608142 180204563 /nfs/dbraw/zinc/20/45/63/180204563.db2.gz XIOXZHGLOPPIKT-MRXNPFEDSA-N 0 3 275.396 2.430 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cccc(OC)c1)N1CCOCC1 ZINC000091611691 180206374 /nfs/dbraw/zinc/20/63/74/180206374.db2.gz JKLUNDRWURJEKC-HOTGVXAUSA-N 0 3 278.396 2.196 10 0 CEAEHN CCN[C@H](c1cnn(CC)c1)[C@](C)(CC)N1CCOCC1 ZINC000091612997 180207439 /nfs/dbraw/zinc/20/74/39/180207439.db2.gz MEOWRJXSAPBRFI-CVEARBPZSA-N 0 3 294.443 2.055 10 0 CEAEHN CCN(CC)C(CC)(CC)C(=O)Cc1ncnn1CC ZINC000091615393 180208225 /nfs/dbraw/zinc/20/82/25/180208225.db2.gz IFQHCISNHPLNAO-UHFFFAOYSA-N 0 3 280.416 2.310 10 0 CEAEHN CCN(CC(=O)N[C@@H](C)CCC(C)C)CC(C)(C)O ZINC000091527938 180179790 /nfs/dbraw/zinc/17/97/90/180179790.db2.gz JFYJJJOMZHOKCK-ZDUSSCGKSA-N 0 3 272.433 2.020 10 0 CEAEHN Cc1cc(CC(=O)C2(N(C)C)CCC(C)CC2)n(C)n1 ZINC000091648176 180215864 /nfs/dbraw/zinc/21/58/64/180215864.db2.gz ICYBEDXJGVFEBL-UHFFFAOYSA-N 0 3 277.412 2.351 10 0 CEAEHN Cc1ccsc1[C@@H](C)NC[C@@H]1CN(C)CCO1 ZINC000091667212 180223633 /nfs/dbraw/zinc/22/36/33/180223633.db2.gz LHRUTDRVDAFBQV-VXGBXAGGSA-N 0 3 254.399 2.038 10 0 CEAEHN CCN[C@@H](c1cccc2cnccc21)[C@H]1CN(C)CCO1 ZINC000091718732 180233129 /nfs/dbraw/zinc/23/31/29/180233129.db2.gz XQKOMPNYPXGISA-SJORKVTESA-N 0 3 285.391 2.216 10 0 CEAEHN CCCOc1ccc([C@H](NCC)[C@@H]2CN(C)CCO2)cc1 ZINC000091718766 180233399 /nfs/dbraw/zinc/23/33/99/180233399.db2.gz YRLMTSNKKHCLEF-IRXDYDNUSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H](c1cccc(C)c1C)[C@H]1CN(C)CCO1 ZINC000091718704 180233605 /nfs/dbraw/zinc/23/36/05/180233605.db2.gz XNNBSYPMLDSLJT-CVEARBPZSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@H](c1ccc(C)cc1)[C@@H]1CN(C)CCO1 ZINC000091719235 180234235 /nfs/dbraw/zinc/23/42/35/180234235.db2.gz IFUKMIUUNGCWHB-JKSUJKDBSA-N 0 3 262.397 2.366 10 0 CEAEHN CCCN[C@@H](c1cc(F)cc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719280 180234337 /nfs/dbraw/zinc/23/43/37/180234337.db2.gz BXENFVHRBAJWAJ-CABCVRRESA-N 0 3 284.350 2.336 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1C)[C@@H]1CN(C)CCO1 ZINC000091719554 180234588 /nfs/dbraw/zinc/23/45/88/180234588.db2.gz WRYPKBQDIQLRBQ-IRXDYDNUSA-N 0 3 292.423 2.375 10 0 CEAEHN CCCOc1ccc([C@H](C)N[C@@H]2CCOC[C@@H]2O)cc1 ZINC000624236153 350239178 /nfs/dbraw/zinc/23/91/78/350239178.db2.gz XGXFRVPLUDJBEU-MAZHCROVSA-N 0 3 279.380 2.276 10 0 CEAEHN CCN[C@H](c1cc(F)ccc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721547 180238280 /nfs/dbraw/zinc/23/82/80/180238280.db2.gz PWMLFIICSASRAC-DAXOMENPSA-N 0 3 296.361 2.479 10 0 CEAEHN C[C@@H](N)c1cccn1CC(=O)Nc1ccc(F)cc1 ZINC000091799855 180259351 /nfs/dbraw/zinc/25/93/51/180259351.db2.gz XTIXBHMDLIAGFJ-SNVBAGLBSA-N 0 3 261.300 2.286 10 0 CEAEHN COC(=O)c1ccc([C@@H](C)N2CCC[C@@H]2CN(C)C)o1 ZINC000091782257 180253336 /nfs/dbraw/zinc/25/33/36/180253336.db2.gz VCQIDTXXZFBXEH-VXGBXAGGSA-N 0 3 280.368 2.153 10 0 CEAEHN CCN[C@@H](C)c1sc([C@H]2CN(C)CCO2)nc1C ZINC000091722424 180240193 /nfs/dbraw/zinc/24/01/93/180240193.db2.gz VEIGEHNJENXWKP-GXSJLCMTSA-N 0 3 269.414 2.125 10 0 CEAEHN CCN[C@H]1CCCc2nc([C@@H]3CN(C)CCO3)sc21 ZINC000091722467 180240202 /nfs/dbraw/zinc/24/02/02/180240202.db2.gz SXOIIJBXNRBQRX-JQWIXIFHSA-N 0 3 281.425 2.133 10 0 CEAEHN CN[C@@H]1CCCc2nc([C@H]3CN4CCC[C@@H]4CO3)sc21 ZINC000091722456 180240308 /nfs/dbraw/zinc/24/03/08/180240308.db2.gz XQRIIDYUWVBCIT-NQBHXWOUSA-N 0 3 293.436 2.276 10 0 CEAEHN Cc1nc([C@@H]2CN(C)CCO2)sc1CNC(C)(C)C ZINC000091723156 180241410 /nfs/dbraw/zinc/24/14/10/180241410.db2.gz NYKDYMGDIXIZLQ-NSHDSACASA-N 0 3 283.441 2.343 10 0 CEAEHN C[C@H](c1ccncc1)N(C)C[C@H](O)COC(C)(C)C ZINC000091986631 180298567 /nfs/dbraw/zinc/29/85/67/180298567.db2.gz GNSRSKCKACCXKK-OCCSQVGLSA-N 0 3 266.385 2.250 10 0 CEAEHN CC[C@@H]1CN(C(=O)N2CCC(C)CC2)[C@H](CC)CN1 ZINC000091991341 180299838 /nfs/dbraw/zinc/29/98/38/180299838.db2.gz YNISVJSJICHWHG-ZIAGYGMSSA-N 0 3 267.417 2.301 10 0 CEAEHN C[C@H]1CCCN(C(=O)N2CCNCC23CCCCC3)C1 ZINC000091991392 180299937 /nfs/dbraw/zinc/29/99/37/180299937.db2.gz CFPGPUMXPGNAHI-AWEZNQCLSA-N 0 3 279.428 2.446 10 0 CEAEHN C[C@@H]1CCCN(C(=O)Nc2cccc(F)c2C(=N)N)C1 ZINC000091993309 180300540 /nfs/dbraw/zinc/30/05/40/180300540.db2.gz JZLCXPKIBNAAEK-SECBINFHSA-N 0 3 278.331 2.374 10 0 CEAEHN CCNCc1nc(C)ccc1OCc1cc(C)no1 ZINC000091994923 180301034 /nfs/dbraw/zinc/30/10/34/180301034.db2.gz JWIHXQYUYGZWDU-UHFFFAOYSA-N 0 3 261.325 2.375 10 0 CEAEHN Cc1ccc(OC[C@@H](O)C(F)(F)F)c(CNC(C)C)n1 ZINC000091995547 180302198 /nfs/dbraw/zinc/30/21/98/180302198.db2.gz MXXBOKJAQAUSLN-GFCCVEGCSA-N 0 3 292.301 2.190 10 0 CEAEHN CC[C@@H](C)NC(=O)COc1ccc(C)nc1CNC(C)C ZINC000091995625 180302380 /nfs/dbraw/zinc/30/23/80/180302380.db2.gz NVDZYSVDKHDALK-GFCCVEGCSA-N 0 3 293.411 2.182 10 0 CEAEHN Cc1c(Cl)ncnc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092023770 180308705 /nfs/dbraw/zinc/30/87/05/180308705.db2.gz VTAUADPBDRVWLA-MNOVXSKESA-N 0 3 266.776 2.111 10 0 CEAEHN c1ccc(OCCN2CCC(Nc3cccnn3)CC2)cc1 ZINC000105804535 186072514 /nfs/dbraw/zinc/07/25/14/186072514.db2.gz ZSHUOSNEUHUNKQ-UHFFFAOYSA-N 0 3 298.390 2.432 10 0 CEAEHN C[C@H]1CN(c2ccc(CNC(C)(C)C)nn2)C[C@@H]1C ZINC000092089034 180321750 /nfs/dbraw/zinc/32/17/50/180321750.db2.gz FGFHXYLOARUYLX-RYUDHWBXSA-N 0 3 262.401 2.457 10 0 CEAEHN CCN(CC)[C@H](CNC(=O)CC[C@H](C)O)c1ccccc1 ZINC000092155727 180335225 /nfs/dbraw/zinc/33/52/25/180335225.db2.gz GCYRVGAKKVIPEM-GOEBONIOSA-N 0 3 292.423 2.347 10 0 CEAEHN Fc1cccc(CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105883331 186083028 /nfs/dbraw/zinc/08/30/28/186083028.db2.gz ARUJPCJFXNVJHH-CQSZACIVSA-N 0 3 274.343 2.329 10 0 CEAEHN CO[C@H]1CCCC[C@@H]1NCc1c(C)nn(C)c1C ZINC000092325247 180362834 /nfs/dbraw/zinc/36/28/34/180362834.db2.gz JEHSVQLEEWKFLX-KBPBESRZSA-N 0 3 251.374 2.084 10 0 CEAEHN CCOC(=O)Cc1csc(CCN(CC)CC)n1 ZINC000106100338 186101898 /nfs/dbraw/zinc/10/18/98/186101898.db2.gz NSPXBMWWEFLPPK-UHFFFAOYSA-N 0 3 270.398 2.133 10 0 CEAEHN Cc1noc(C)c1[C@H](C)NC[C@H](O)COC(C)(C)C ZINC000092339407 180365087 /nfs/dbraw/zinc/36/50/87/180365087.db2.gz BFDCCPSEFHYXBA-CABZTGNLSA-N 0 3 270.373 2.118 10 0 CEAEHN CC[C@H]1CSC(NCc2c(C)nn(C)c2C)=N1 ZINC000092341145 180365917 /nfs/dbraw/zinc/36/59/17/180365917.db2.gz XEKZZWUJENULPJ-JTQLQIEISA-N 0 3 252.387 2.008 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(C[C@@H]2CCCO2)C1 ZINC000105897225 186085311 /nfs/dbraw/zinc/08/53/11/186085311.db2.gz CDVKOHLHYKTFPZ-KGLIPLIRSA-N 0 3 263.385 2.261 10 0 CEAEHN CCNCc1nc2c([nH]1)CCc1ccc(OC)cc1-2 ZINC000092389111 180375635 /nfs/dbraw/zinc/37/56/35/180375635.db2.gz CWMVHASIQOLIHZ-UHFFFAOYSA-N 0 3 257.337 2.293 10 0 CEAEHN CCNc1ccnc(CN2CCC(COC)CC2)c1 ZINC000092419280 180382497 /nfs/dbraw/zinc/38/24/97/180382497.db2.gz TYYGUQFELBIGSB-UHFFFAOYSA-N 0 3 263.385 2.372 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@@H](n1nc(C)nc1C)CC2 ZINC000092386144 180373403 /nfs/dbraw/zinc/37/34/03/180373403.db2.gz LYIBOWQSFVURET-LSDHHAIUSA-N 0 3 272.352 2.091 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@@H]1n1cccn1 ZINC000092385989 180373446 /nfs/dbraw/zinc/37/34/46/180373446.db2.gz XXEVSHXXNIAPOC-GJZGRUSLSA-N 0 3 257.337 2.340 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@H]1n1ccnc1 ZINC000092386055 180373632 /nfs/dbraw/zinc/37/36/32/180373632.db2.gz DOYRGZFOGRQMOV-CABCVRRESA-N 0 3 257.337 2.340 10 0 CEAEHN CCOCCN(CC)C[C@@](C)(O)c1ccccc1 ZINC000107062178 186157563 /nfs/dbraw/zinc/15/75/63/186157563.db2.gz HAKSPLUNOOHTLL-OAHLLOKOSA-N 0 3 251.370 2.253 10 0 CEAEHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)cccc1[O-] ZINC000625969569 350616065 /nfs/dbraw/zinc/61/60/65/350616065.db2.gz KAHSVQQTNBJEFO-ZDUSSCGKSA-N 0 3 276.380 2.257 10 0 CEAEHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)cccc1[O-] ZINC000625969569 350616066 /nfs/dbraw/zinc/61/60/66/350616066.db2.gz KAHSVQQTNBJEFO-ZDUSSCGKSA-N 0 3 276.380 2.257 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1cccnc1 ZINC000109394770 186250233 /nfs/dbraw/zinc/25/02/33/186250233.db2.gz ZYWDZWIPGDZCGW-OAHLLOKOSA-N 0 3 292.427 2.199 10 0 CEAEHN Cc1cc(NCCc2nncn2C)c2ccccc2n1 ZINC000109424476 186251947 /nfs/dbraw/zinc/25/19/47/186251947.db2.gz OHDPZMDMVFJLCF-UHFFFAOYSA-N 0 3 267.336 2.326 10 0 CEAEHN CCC[C@@H](C(N)=S)N1CCN(Cc2cccs2)CC1 ZINC000109470296 186254608 /nfs/dbraw/zinc/25/46/08/186254608.db2.gz LPDOZJLJELOCHK-ZDUSSCGKSA-N 0 3 297.493 2.321 10 0 CEAEHN CCC[C@H](C)CN1CCN([C@@H](CCC)C(N)=S)CC1 ZINC000109470178 186255292 /nfs/dbraw/zinc/25/52/92/186255292.db2.gz OGVBGBDRHLMJMA-KBPBESRZSA-N 0 3 285.501 2.495 10 0 CEAEHN CCCN[C@H](CN(CCC(C)C)C1CC1)C(=O)OC ZINC000109999551 186281737 /nfs/dbraw/zinc/28/17/37/186281737.db2.gz MSGXJVAOROZILK-CQSZACIVSA-N 0 3 270.417 2.038 10 0 CEAEHN COCCNCc1c(C)nc(-c2cccc(C)n2)nc1C ZINC000110482207 186298826 /nfs/dbraw/zinc/29/88/26/186298826.db2.gz DVUNNKBXEHBOEE-UHFFFAOYSA-N 0 3 286.379 2.200 10 0 CEAEHN CN(CC(=O)Nc1cc(F)ccc1N)CC1CCCC1 ZINC000110832927 186328272 /nfs/dbraw/zinc/32/82/72/186328272.db2.gz NTFKBOQDRKXDJI-UHFFFAOYSA-N 0 3 279.359 2.468 10 0 CEAEHN CCCN[C@@](C)(CN(C)CC1CCCC1)C(=O)OCC ZINC000110840487 186328939 /nfs/dbraw/zinc/32/89/39/186328939.db2.gz FGMGUTHQCJTVPL-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CN1CCN(Cc2ccc(Cl)cc2N)CC1(C)C ZINC000110704609 186313993 /nfs/dbraw/zinc/31/39/93/186313993.db2.gz WHYXOBFCTMWVAX-UHFFFAOYSA-N 0 3 267.804 2.448 10 0 CEAEHN COc1ccc(C)cc1[C@H](N)CN1CCN(C)C(C)(C)C1 ZINC000110716389 186316481 /nfs/dbraw/zinc/31/64/81/186316481.db2.gz GFIHNCOTJBSSSM-OAHLLOKOSA-N 0 3 291.439 2.029 10 0 CEAEHN CCN1CCN(Cc2ccc3c(c2)CCN3)C[C@@H]1C ZINC000110762674 186323195 /nfs/dbraw/zinc/32/31/95/186323195.db2.gz GTYNOZFJIZQPSS-ZDUSSCGKSA-N 0 3 259.397 2.181 10 0 CEAEHN CCOC(CCN(C)C[C@@H]1CCCCO1)OCC ZINC000110785196 186324642 /nfs/dbraw/zinc/32/46/42/186324642.db2.gz OMHFVXMBBOIFCU-ZDUSSCGKSA-N 0 3 259.390 2.277 10 0 CEAEHN c1ccc(NC[C@H]2CCN(Cc3ccncc3)C2)nc1 ZINC000130753641 365988073 /nfs/dbraw/zinc/98/80/73/365988073.db2.gz RZFVZEGOKNTSKB-OAHLLOKOSA-N 0 3 268.364 2.411 10 0 CEAEHN O=C1CC[C@@H](N[C@H]2CCSc3c(F)cccc32)CN1 ZINC000111018061 186343968 /nfs/dbraw/zinc/34/39/68/186343968.db2.gz UPJFBHJUABMAQM-SKDRFNHKSA-N 0 3 280.368 2.231 10 0 CEAEHN CCN1CCC[C@H](Nc2ccc(F)cc2C(N)=S)C1 ZINC000111031054 186346965 /nfs/dbraw/zinc/34/69/65/186346965.db2.gz UHIJDJURCNLNON-NSHDSACASA-N 0 3 281.400 2.356 10 0 CEAEHN CN(CC1CCOCC1)c1nc2c(cc1CN)CCCC2 ZINC000111153833 186360461 /nfs/dbraw/zinc/36/04/61/186360461.db2.gz QWRDFPNJUHEXQU-UHFFFAOYSA-N 0 3 289.423 2.282 10 0 CEAEHN COC(CN[C@@H](C)Cc1cccc(Cl)c1)OC ZINC000111112261 186354150 /nfs/dbraw/zinc/35/41/50/186354150.db2.gz XXXSRVHJVOMEEJ-JTQLQIEISA-N 0 3 257.761 2.480 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1cc(F)ccc1F ZINC000111117724 186354328 /nfs/dbraw/zinc/35/43/28/186354328.db2.gz SVYXQWRCWIVZMF-AWEZNQCLSA-N 0 3 272.339 2.323 10 0 CEAEHN CN(C)CCN(C)c1nc2c(s1)[C@@H](O)CC(C)(C)C2 ZINC000111151544 186359737 /nfs/dbraw/zinc/35/97/37/186359737.db2.gz DZSDUWKVPNIGNR-NSHDSACASA-N 0 3 283.441 2.147 10 0 CEAEHN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CN)cn1 ZINC000111281790 186387839 /nfs/dbraw/zinc/38/78/39/186387839.db2.gz XTNANQFGULMGQK-CHWSQXEVSA-N 0 3 261.369 2.239 10 0 CEAEHN CN1CCCN(c2ccc(N)cc2C(F)F)CC1 ZINC000111289787 186390682 /nfs/dbraw/zinc/39/06/82/186390682.db2.gz MCZGACSUMTVROV-UHFFFAOYSA-N 0 3 255.312 2.348 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000123401183 187089300 /nfs/dbraw/zinc/08/93/00/187089300.db2.gz UGEWEMIKKHLVHQ-RYUDHWBXSA-N 0 3 284.350 2.336 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1cccn1C)c1ccccc1 ZINC000123493022 187095057 /nfs/dbraw/zinc/09/50/57/187095057.db2.gz GFICIUNYPAWCIQ-CQSZACIVSA-N 0 3 271.364 2.058 10 0 CEAEHN Cc1ccncc1CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000123779194 187108333 /nfs/dbraw/zinc/10/83/33/187108333.db2.gz ZJZUQBPFQDKIOY-HOCLYGCPSA-N 0 3 259.397 2.449 10 0 CEAEHN CCc1ncsc1C(=O)N(C)C[C@@H]1CCCN1CC ZINC000123819850 187110330 /nfs/dbraw/zinc/11/03/30/187110330.db2.gz CEIYZPXHGXZNFO-NSHDSACASA-N 0 3 281.425 2.262 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(C)cc(C)c1O ZINC000094574499 539882346 /nfs/dbraw/zinc/88/23/46/539882346.db2.gz HWTNWYQYLAHBIW-JOYOIKCWSA-N 0 3 250.342 2.321 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)C(C)C)cc1F ZINC000094956336 539888600 /nfs/dbraw/zinc/88/86/00/539888600.db2.gz OJEMFLFGZGKTAY-GWCFXTLKSA-N 0 3 252.333 2.295 10 0 CEAEHN COc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000155622683 188217426 /nfs/dbraw/zinc/21/74/26/188217426.db2.gz GWMPNUSQFHPANN-OCCSQVGLSA-N 0 3 276.380 2.154 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cccnc2Cl)[C@@H](C)C1 ZINC000155356538 188200974 /nfs/dbraw/zinc/20/09/74/188200974.db2.gz JRBIRMXSJJPRRC-JQWIXIFHSA-N 0 3 281.787 2.194 10 0 CEAEHN COc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000155490157 188210144 /nfs/dbraw/zinc/21/01/44/188210144.db2.gz NSCXNPVZLYXJOM-WFASDCNBSA-N 0 3 276.380 2.154 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000155754593 188226201 /nfs/dbraw/zinc/22/62/01/188226201.db2.gz QNBRODDETZEUGD-FZMZJTMJSA-N 0 3 264.344 2.284 10 0 CEAEHN CCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000073503778 363224437 /nfs/dbraw/zinc/22/44/37/363224437.db2.gz SLDJRSVPFDUVFG-STQMWFEESA-N 0 3 279.384 2.433 10 0 CEAEHN C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1cccs1 ZINC000158684233 188389370 /nfs/dbraw/zinc/38/93/70/188389370.db2.gz WTLIRBNKHRZNSO-WDEREUQCSA-N 0 3 252.383 2.014 10 0 CEAEHN Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)nn1C ZINC000337275030 366120847 /nfs/dbraw/zinc/12/08/47/366120847.db2.gz FSXZXYDZNNWRNF-XHSDSOJGSA-N 0 3 277.412 2.244 10 0 CEAEHN Fc1ccc2c(c1)[C@@H](N[C@H]1CCc3ncnn3C1)CC2 ZINC000175010533 283003786 /nfs/dbraw/zinc/00/37/86/283003786.db2.gz TUAZSONIZZTOHB-JSGCOSHPSA-N 0 3 272.327 2.009 10 0 CEAEHN Cc1ccc2cc(C(=O)N3CC[C@H](N(C)C)C3)[nH]c2c1 ZINC000170867550 188700210 /nfs/dbraw/zinc/70/02/10/188700210.db2.gz VPKFFNPDOGDXBZ-ZDUSSCGKSA-N 0 3 271.364 2.252 10 0 CEAEHN CC(C)CN1CCN(CCOc2cncc(Cl)c2)CC1 ZINC000675076461 540117720 /nfs/dbraw/zinc/11/77/20/540117720.db2.gz NZTIPXIBJKOMGZ-UHFFFAOYSA-N 0 3 297.830 2.387 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)c1cccnc1 ZINC000079269581 363587287 /nfs/dbraw/zinc/58/72/87/363587287.db2.gz OGNQCWZWLIIMNE-UKRRQHHQSA-N 0 3 292.427 2.418 10 0 CEAEHN COc1ccc(OC)c(CN[C@H]2CCCCC[C@H]2O)c1 ZINC000135658597 366464520 /nfs/dbraw/zinc/46/45/20/366464520.db2.gz AQQCCMCTTGJTDP-LSDHHAIUSA-N 0 3 279.380 2.487 10 0 CEAEHN CN[C@@H](CN1CCOCC1)c1cccc(Br)c1 ZINC000148359074 366581094 /nfs/dbraw/zinc/58/10/94/366581094.db2.gz LXCXBWNDTKQXOO-ZDUSSCGKSA-N 0 3 299.212 2.042 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC000176982802 189018694 /nfs/dbraw/zinc/01/86/94/189018694.db2.gz MOHSSLJITISJGE-LLVKDONJSA-N 0 3 282.409 2.313 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000178571934 189127710 /nfs/dbraw/zinc/12/77/10/189127710.db2.gz XTBVCSNJHPGVPB-YOKVUHJFSA-N 0 3 296.436 2.185 10 0 CEAEHN CCCc1csc(NC(=O)N2CCN3CCC[C@@H]3C2)n1 ZINC000180693179 189270288 /nfs/dbraw/zinc/27/02/88/189270288.db2.gz PLVAULZVPQVOML-GFCCVEGCSA-N 0 3 294.424 2.408 10 0 CEAEHN Cc1cccc(CN2C[C@H]3CCCCN3C[C@@H]2C)n1 ZINC000083882225 363790334 /nfs/dbraw/zinc/79/03/34/363790334.db2.gz NAMMOCIQNAIJEN-GOEBONIOSA-N 0 3 259.397 2.449 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000083550240 363778082 /nfs/dbraw/zinc/77/80/82/363778082.db2.gz XGJYALZZOPFZKE-IUODEOHRSA-N 0 3 283.375 2.477 10 0 CEAEHN OC[C@H]1CCCN1C[C@H]1CCCN1c1ncccc1Cl ZINC000301699104 201146227 /nfs/dbraw/zinc/14/62/27/201146227.db2.gz COYIGZOJGQRFKT-CHWSQXEVSA-N 0 3 295.814 2.161 10 0 CEAEHN C[C@@H]1CN[C@@H](C)CN1c1cccc(C(F)(F)F)n1 ZINC000086471542 363836978 /nfs/dbraw/zinc/83/69/78/363836978.db2.gz YNMWHBJYISTWPI-DTWKUNHWSA-N 0 3 259.275 2.287 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1cccc2c1OCCCO2 ZINC000089164764 363944095 /nfs/dbraw/zinc/94/40/95/363944095.db2.gz GMXMLIRDCDJLOS-JSGCOSHPSA-N 0 3 277.364 2.099 10 0 CEAEHN c1ccc(SCCN2CC[C@H](N3CCOCC3)C2)cc1 ZINC000089710286 363995113 /nfs/dbraw/zinc/99/51/13/363995113.db2.gz HMTXZJHYFKXZAS-HNNXBMFYSA-N 0 3 292.448 2.185 10 0 CEAEHN C[C@]1(C(=O)NC[C@H]2CCCC23CC3)CCCCN1 ZINC000638794404 370756191 /nfs/dbraw/zinc/75/61/91/370756191.db2.gz CGODOAKHULHJJC-TZMCWYRMSA-N 0 3 250.386 2.215 10 0 CEAEHN COC(=O)c1ccc([C@H](C)N2CCN3CCCC[C@@H]3C2)o1 ZINC000093952661 364242723 /nfs/dbraw/zinc/24/27/23/364242723.db2.gz UTIGHDCGUVFEQY-QWHCGFSZSA-N 0 3 292.379 2.297 10 0 CEAEHN COC[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000103364222 364644843 /nfs/dbraw/zinc/64/48/43/364644843.db2.gz KJZVKPPCBAVGEU-CQSZACIVSA-N 0 3 290.407 2.050 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000103475503 364657241 /nfs/dbraw/zinc/65/72/41/364657241.db2.gz JHZSZOOXXMWQGZ-CYBMUJFWSA-N 0 3 271.368 2.073 10 0 CEAEHN CC(C)(C)CCN1CCO[C@H](Cn2cccn2)C1 ZINC000112697922 364829368 /nfs/dbraw/zinc/82/93/68/364829368.db2.gz IFVPAUQUSZJGLK-ZDUSSCGKSA-N 0 3 251.374 2.020 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000113269789 364882284 /nfs/dbraw/zinc/88/22/84/364882284.db2.gz GRYAJAXCJHVINF-NWDGAFQWSA-N 0 3 278.400 2.036 10 0 CEAEHN CC(C)CNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000113311483 364887575 /nfs/dbraw/zinc/88/75/75/364887575.db2.gz GFFULOUKGJXUQU-UHFFFAOYSA-N 0 3 294.443 2.126 10 0 CEAEHN C[C@]1(C(=O)N2CCO[C@H](c3ccccc3)C2)CCCCN1 ZINC000119070708 365209736 /nfs/dbraw/zinc/20/97/36/365209736.db2.gz LHPMWHMORAXNNU-DOTOQJQBSA-N 0 3 288.391 2.119 10 0 CEAEHN CCC1(CN2CCO[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000335979124 365246585 /nfs/dbraw/zinc/24/65/85/365246585.db2.gz MBZWPNDVABBMFS-UONOGXRCSA-N 0 3 253.386 2.447 10 0 CEAEHN CCCC(O)(CCC)CNCc1c(C)nn(C)c1OC ZINC000119703062 365314128 /nfs/dbraw/zinc/31/41/28/365314128.db2.gz UQHASMHBHSZRLU-UHFFFAOYSA-N 0 3 283.416 2.158 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC000275512675 193064325 /nfs/dbraw/zinc/06/43/25/193064325.db2.gz IAUCNJTZVNASHD-SECBINFHSA-N 0 3 287.816 2.353 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1cccc(C)c1)N(C)C ZINC000161879874 367118090 /nfs/dbraw/zinc/11/80/90/367118090.db2.gz MLIXKJSVJWFMSS-HNNXBMFYSA-N 0 3 262.397 2.384 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)OCCC(C)C ZINC000245432406 370818365 /nfs/dbraw/zinc/81/83/65/370818365.db2.gz OIEVIRLCZURVCL-GJZGRUSLSA-N 0 3 284.444 2.380 10 0 CEAEHN CCC[C@H](C(=O)NCCc1ccc(C)c(OC)c1)N(C)C ZINC000162264529 367147399 /nfs/dbraw/zinc/14/73/99/367147399.db2.gz LSUBNDFPXAWNSU-OAHLLOKOSA-N 0 3 292.423 2.393 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@@H]1C=CCC1 ZINC000245436569 370820179 /nfs/dbraw/zinc/82/01/79/370820179.db2.gz VGEOWEXKVYXSAI-KGLIPLIRSA-N 0 3 250.386 2.285 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](C)Oc1ccccc1F)N(C)C ZINC000162326962 367151735 /nfs/dbraw/zinc/15/17/35/367151735.db2.gz ZMZTYADIUOZVFC-TZMCWYRMSA-N 0 3 296.386 2.440 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC=CCC1 ZINC000245474343 370826768 /nfs/dbraw/zinc/82/67/68/370826768.db2.gz QVRXNZGTXLOZHB-ZIAGYGMSSA-N 0 3 265.401 2.221 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1Cc1cncs1 ZINC000166960433 367333314 /nfs/dbraw/zinc/33/33/14/367333314.db2.gz PSSCEFZBHGZHEK-NWDGAFQWSA-N 0 3 251.399 2.202 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccc(F)c(Cl)c2)C1 ZINC000170836344 367429607 /nfs/dbraw/zinc/42/96/07/367429607.db2.gz XHSURRQAXJXSGF-NSHDSACASA-N 0 3 299.777 2.325 10 0 CEAEHN CC[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000170856166 367432384 /nfs/dbraw/zinc/43/23/84/367432384.db2.gz MMDSLOJQNARJEV-HUUCEWRRSA-N 0 3 260.381 2.343 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC000170856098 367432819 /nfs/dbraw/zinc/43/28/19/367432819.db2.gz AXBREJZLSCNWGH-AWEZNQCLSA-N 0 3 294.370 2.147 10 0 CEAEHN CCCN(C)c1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170864202 367434005 /nfs/dbraw/zinc/43/40/05/367434005.db2.gz AKTBYUQEZRHKNI-MRXNPFEDSA-N 0 3 289.423 2.309 10 0 CEAEHN Cc1cc(OCC(=O)N2CC[C@H](N(C)C)C2)ccc1Cl ZINC000170862797 367434192 /nfs/dbraw/zinc/43/41/92/367434192.db2.gz RHWYTTPQKNJWEV-LBPRGKRZSA-N 0 3 296.798 2.190 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cccc(OC(F)F)c2)C1 ZINC000170863579 367434899 /nfs/dbraw/zinc/43/48/99/367434899.db2.gz KOBMJZDQJRLJDB-LLVKDONJSA-N 0 3 284.306 2.064 10 0 CEAEHN Cc1cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c(C)s1 ZINC000170936462 367450086 /nfs/dbraw/zinc/45/00/86/367450086.db2.gz CZEQPXLWNWBEEX-VXGBXAGGSA-N 0 3 282.453 2.252 10 0 CEAEHN Cc1ccc2oc(C(=O)N3CCN4CCC[C@H]4C3)cc2n1 ZINC000171471229 367550298 /nfs/dbraw/zinc/55/02/98/367550298.db2.gz ILJZYSGHCRTDES-LBPRGKRZSA-N 0 3 285.347 2.056 10 0 CEAEHN CN(C)C[C@@H](NC(=O)NCCC1CC1)c1ccccc1 ZINC000173561754 367922797 /nfs/dbraw/zinc/92/27/97/367922797.db2.gz JPSZRMUZHRPPMM-OAHLLOKOSA-N 0 3 275.396 2.389 10 0 CEAEHN C[C@@H]1COC[C@H](C)N1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181714554 368485882 /nfs/dbraw/zinc/48/58/82/368485882.db2.gz NVTSJIPVLJLLMZ-OKILXGFUSA-N 0 3 296.455 2.380 10 0 CEAEHN CCc1nnc(CN[C@@H](C)C2CCCCC2)n1C ZINC000182693169 368581833 /nfs/dbraw/zinc/58/18/33/368581833.db2.gz INCQCXYCPCMVGW-NSHDSACASA-N 0 3 250.390 2.436 10 0 CEAEHN C[C@H](CN[C@@H](C)c1cccs1)CS(C)(=O)=O ZINC000182546906 368567431 /nfs/dbraw/zinc/56/74/31/368567431.db2.gz OXNREWWAFPPOOR-ZJUUUORDSA-N 0 3 261.412 2.079 10 0 CEAEHN CCN1CCC[C@H](Nc2cncc(SC)n2)C1 ZINC000183919232 368657605 /nfs/dbraw/zinc/65/76/05/368657605.db2.gz WEUVXRATCBTQEB-JTQLQIEISA-N 0 3 252.387 2.095 10 0 CEAEHN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000185045353 368739522 /nfs/dbraw/zinc/73/95/22/368739522.db2.gz PKDJOCRTMGLVLL-OAGGEKHMSA-N 0 3 294.439 2.278 10 0 CEAEHN O=C([C@@H]1CSc2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000246268251 370938306 /nfs/dbraw/zinc/93/83/06/370938306.db2.gz AUOXLYGXXUNPDR-GXTWGEPZSA-N 0 3 288.416 2.183 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC000185897500 368883836 /nfs/dbraw/zinc/88/38/36/368883836.db2.gz UAFMJWYOXZNCCI-YDHLFZDLSA-N 0 3 252.402 2.269 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@H]2CCOc3ccccc32)CC1 ZINC000634950330 368985527 /nfs/dbraw/zinc/98/55/27/368985527.db2.gz PHWZZCILBFDUID-OCCSQVGLSA-N 0 3 295.404 2.067 10 0 CEAEHN CC[C@](C)(O)CN1CCc2c(cccc2NC(C)=O)C1 ZINC000187332893 369140965 /nfs/dbraw/zinc/14/09/65/369140965.db2.gz SEGBFEBOHZSGJA-INIZCTEOSA-N 0 3 276.380 2.164 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC000187950652 369260020 /nfs/dbraw/zinc/26/00/20/369260020.db2.gz ABGKMQYXBHHKER-CYBMUJFWSA-N 0 3 250.342 2.144 10 0 CEAEHN COCc1nc2n(n1)CCC[C@@H]2NCCC(C)(C)C ZINC000188099808 369296417 /nfs/dbraw/zinc/29/64/17/369296417.db2.gz DPAWVHKEIUEZSZ-NSHDSACASA-N 0 3 266.389 2.285 10 0 CEAEHN CCc1ccccc1CN1CCN(C[C@H](O)CC)CC1 ZINC000189042817 369447963 /nfs/dbraw/zinc/44/79/63/369447963.db2.gz BMCABOVLIRDTTB-QGZVFWFLSA-N 0 3 276.424 2.138 10 0 CEAEHN O=C(Cc1cnc2ccccc2c1)N1CCN2CCC[C@H]2C1 ZINC000189724072 369563913 /nfs/dbraw/zinc/56/39/13/369563913.db2.gz DWNRACBYECEAHG-INIZCTEOSA-N 0 3 295.386 2.084 10 0 CEAEHN C[C@@H](CNCc1cc(Cl)cs1)N1CCOCC1 ZINC000192994250 369879477 /nfs/dbraw/zinc/87/94/77/369879477.db2.gz RPNGOUGEWJXABZ-JTQLQIEISA-N 0 3 274.817 2.212 10 0 CEAEHN Cc1nc(Cl)ccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000194591658 370055888 /nfs/dbraw/zinc/05/58/88/370055888.db2.gz DZVDRYWPANXXKY-LLVKDONJSA-N 0 3 294.786 2.355 10 0 CEAEHN CCC1CCC(NC(=O)[C@]2(COC)CCCCN2)CC1 ZINC000637916140 370168742 /nfs/dbraw/zinc/16/87/42/370168742.db2.gz ATRNXQZIUMSXIO-ZBCRRDGASA-N 0 3 282.428 2.230 10 0 CEAEHN Cn1c(N)ncc1-c1ccc(Br)s1 ZINC000215785450 370181061 /nfs/dbraw/zinc/18/10/61/370181061.db2.gz GCHHGPFYFTWPKA-UHFFFAOYSA-N 0 3 258.144 2.493 10 0 CEAEHN CCN1CCC[C@H](NCc2ccnn2C(C)C)C1 ZINC000354146236 370233519 /nfs/dbraw/zinc/23/35/19/370233519.db2.gz MRHWBJFQMGVKSU-ZDUSSCGKSA-N 0 3 250.390 2.038 10 0 CEAEHN Cc1ccc(C)c(NC(=O)CN2CCN3CCC[C@H]3C2)c1 ZINC000246998934 371044007 /nfs/dbraw/zinc/04/40/07/371044007.db2.gz BJGZRRLFPFXYII-HNNXBMFYSA-N 0 3 287.407 2.022 10 0 CEAEHN Cc1ccccc1NC(=O)[C@@H](C)N1CCN2CCC[C@H]2C1 ZINC000247229871 371079910 /nfs/dbraw/zinc/07/99/10/371079910.db2.gz RENFSWSXVOEWIU-CABCVRRESA-N 0 3 287.407 2.102 10 0 CEAEHN C[C@@H](CCc1cccc(F)c1)N1CCO[C@@H](CN(C)C)C1 ZINC000248394497 371186191 /nfs/dbraw/zinc/18/61/91/371186191.db2.gz XVIUBGVOCPUGIO-YOEHRIQHSA-N 0 3 294.414 2.409 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(CC)C2)CCO1 ZINC000248524612 371205499 /nfs/dbraw/zinc/20/54/99/371205499.db2.gz CIQNQRDAODQZDP-QLFBSQMISA-N 0 3 282.428 2.182 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccc(F)cn2)C1 ZINC000248546034 371209738 /nfs/dbraw/zinc/20/97/38/371209738.db2.gz FKZFFZDXABVUAP-ZYHUDNBSSA-N 0 3 280.347 2.071 10 0 CEAEHN CC[C@H](C)[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000248593027 371218375 /nfs/dbraw/zinc/21/83/75/371218375.db2.gz SDTLDEONPBIQRB-XDQVBPFNSA-N 0 3 252.402 2.364 10 0 CEAEHN C[C@H](c1cnccn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248599238 371219576 /nfs/dbraw/zinc/21/95/76/371219576.db2.gz BQYVZAFMIVDGMT-NFAWXSAZSA-N 0 3 261.369 2.165 10 0 CEAEHN CC[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCO1 ZINC000248604999 371221280 /nfs/dbraw/zinc/22/12/80/371221280.db2.gz VFHSZNLMXIVFRP-TUVASFSCSA-N 0 3 282.428 2.037 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC[C@@H](C)[S@](C)=O)c1C ZINC000252729222 371473976 /nfs/dbraw/zinc/47/39/76/371473976.db2.gz FSEUBENAXBVQPO-FDMGOTLNSA-N 0 3 285.457 2.328 10 0 CEAEHN CC(C)(C)c1cnc(NC(=O)[C@H](N)C2CCOCC2)s1 ZINC000261780635 371729605 /nfs/dbraw/zinc/72/96/05/371729605.db2.gz MYHZSXDURHEFIO-LLVKDONJSA-N 0 3 297.424 2.133 10 0 CEAEHN CC(C)OCc1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000261887570 371763421 /nfs/dbraw/zinc/76/34/21/371763421.db2.gz PZYWBTAFYKPIEO-UHFFFAOYSA-N 0 3 292.379 2.058 10 0 CEAEHN Cc1cc2cc(NC(=O)[C@@H](N)C3CCOCC3)ccc2[nH]1 ZINC000261920241 371771292 /nfs/dbraw/zinc/77/12/92/371771292.db2.gz YOAAZKFSYYCXTI-HNNXBMFYSA-N 0 3 287.363 2.169 10 0 CEAEHN c1ncn(CCN[C@H]2CCSc3ccccc32)n1 ZINC000268824639 372241227 /nfs/dbraw/zinc/24/12/27/372241227.db2.gz MTFXVBYSZSTHJJ-LBPRGKRZSA-N 0 3 260.366 2.105 10 0 CEAEHN Cc1c(CN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cnn1C ZINC000381101473 375169049 /nfs/dbraw/zinc/16/90/49/375169049.db2.gz ZPPBYEPIHPORCZ-QWRGUYRKSA-N 0 3 296.415 2.120 10 0 CEAEHN C[C@@H]1[C@@H](O)CCCN1C[C@H]1CCC2(CCCC2)O1 ZINC000384851532 375218733 /nfs/dbraw/zinc/21/87/33/375218733.db2.gz BQKCGLAJTWIJGQ-MCIONIFRSA-N 0 3 253.386 2.323 10 0 CEAEHN CCN1CC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000389170319 375299254 /nfs/dbraw/zinc/29/92/54/375299254.db2.gz NQLCTSHYKSICEY-MRVPVSSYSA-N 0 3 260.263 2.002 10 0 CEAEHN CCN1CC[C@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000389223420 375301564 /nfs/dbraw/zinc/30/15/64/375301564.db2.gz GFMDQRCBOPYSNH-HNNXBMFYSA-N 0 3 270.380 2.056 10 0 CEAEHN CCN1CC[C@@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000389243611 375301812 /nfs/dbraw/zinc/30/18/12/375301812.db2.gz LJTYBXOGOUDONU-OAHLLOKOSA-N 0 3 270.380 2.056 10 0 CEAEHN CCN1CC[C@H](NCc2csc(-c3ccccn3)n2)C1 ZINC000389434595 375303504 /nfs/dbraw/zinc/30/35/04/375303504.db2.gz ZMJMCZGEDOARNM-LBPRGKRZSA-N 0 3 288.420 2.389 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(OC(F)F)cc1 ZINC000282285838 375448729 /nfs/dbraw/zinc/44/87/29/375448729.db2.gz IOJZNXZIGKDLJU-BXKDBHETSA-N 0 3 284.306 2.045 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cc(F)cc(Cl)c1 ZINC000282410464 375477939 /nfs/dbraw/zinc/47/79/39/375477939.db2.gz QEOJNXYIGATAIR-PELKAZGASA-N 0 3 270.735 2.236 10 0 CEAEHN CCN1CC[C@H](NCc2csc(C3CC3)n2)C1 ZINC000414541329 375843518 /nfs/dbraw/zinc/84/35/18/375843518.db2.gz IRWJORROYQFBHU-NSHDSACASA-N 0 3 251.399 2.204 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCC(C)(C)O)c1C ZINC000311072715 376651392 /nfs/dbraw/zinc/65/13/92/376651392.db2.gz MBBWCFZNUZKJGA-SNVBAGLBSA-N 0 3 253.390 2.331 10 0 CEAEHN COc1ccc(NC(=O)CNC2(C(C)C)CC2)cc1 ZINC000293207885 377470854 /nfs/dbraw/zinc/47/08/54/377470854.db2.gz YDHHOPLXHFTLRH-UHFFFAOYSA-N 0 3 262.353 2.412 10 0 CEAEHN C[C@H](c1cnccn1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000184624248 249333275 /nfs/dbraw/zinc/33/32/75/249333275.db2.gz BQYVZAFMIVDGMT-UMVBOHGHSA-N 0 3 261.369 2.165 10 0 CEAEHN Cc1cncc(NC(=O)[C@@H]2CN(C)C[C@H]2C(F)(F)F)c1 ZINC000299742349 379125787 /nfs/dbraw/zinc/12/57/87/379125787.db2.gz HFANKALFNAFSHY-GHMZBOCLSA-N 0 3 287.285 2.069 10 0 CEAEHN Cc1ccccc1[C@H](C)NC[C@H](C)CS(C)(=O)=O ZINC000181555213 542273708 /nfs/dbraw/zinc/27/37/08/542273708.db2.gz UXHXWJNPYLOQHY-AAEUAGOBSA-N 0 3 269.410 2.326 10 0 CEAEHN C[C@@H](NC1CCN(C(N)=O)CC1)c1cc(F)ccc1F ZINC000037272430 542279630 /nfs/dbraw/zinc/27/96/30/542279630.db2.gz ZZUTZSQKAOCIQN-SECBINFHSA-N 0 3 283.322 2.159 10 0 CEAEHN CCC(=O)Nc1cccc(NC(=O)CN[C@@H](C)CC)c1 ZINC000040809666 184548554 /nfs/dbraw/zinc/54/85/54/184548554.db2.gz NPVIDKKHXWNXFM-NSHDSACASA-N 0 3 277.368 2.362 10 0 CEAEHN CCCNCc1cc(S(=O)(=O)N(C)C(C)C)cs1 ZINC000088917186 184614231 /nfs/dbraw/zinc/61/42/31/184614231.db2.gz MZLRETWIBKCKFS-UHFFFAOYSA-N 0 3 290.454 2.277 10 0 CEAEHN NC(=O)[C@]1(N)CCC[C@H]1CCSc1ccc(Cl)cn1 ZINC000093631210 184698660 /nfs/dbraw/zinc/69/86/60/184698660.db2.gz AIXDVNWVUVMHNR-ZANVPECISA-N 0 3 299.827 2.200 10 0 CEAEHN CC[C@@](C)(N)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000094234491 184767432 /nfs/dbraw/zinc/76/74/32/184767432.db2.gz SIBIEHIHYUCSGU-OAHLLOKOSA-N 0 3 264.344 2.444 10 0 CEAEHN C[C@@H](Cc1ccc(F)cc1)Nc1ccc(N)c(N)n1 ZINC000094260436 184770919 /nfs/dbraw/zinc/77/09/19/184770919.db2.gz GEEGTAPZIPLCRX-VIFPVBQESA-N 0 3 260.316 2.428 10 0 CEAEHN Cc1cccc(CS(=O)(=O)[C@@H]2CCC(C)(C)[C@H]2N)c1 ZINC000094311509 184778540 /nfs/dbraw/zinc/77/85/40/184778540.db2.gz KOCPXGPHEOXUJR-KGLIPLIRSA-N 0 3 281.421 2.426 10 0 CEAEHN CN(C)C1(C(=O)[C@H]2CCO[C@@]3(CCOC3)C2)CCCCC1 ZINC000094394216 184792932 /nfs/dbraw/zinc/79/29/32/184792932.db2.gz RHVHTPWJYFOEFV-HOCLYGCPSA-N 0 3 295.423 2.406 10 0 CEAEHN CCN[C@H](CCN1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000094829972 184876601 /nfs/dbraw/zinc/87/66/01/184876601.db2.gz LPKYFLZFVPKRFQ-MRXNPFEDSA-N 0 3 297.393 2.253 10 0 CEAEHN CN[C@@H](c1ccc(OC)cc1)[C@@H]1CSCCO1 ZINC000094503150 184811735 /nfs/dbraw/zinc/81/17/35/184811735.db2.gz UHRYHDGCSTYFFM-STQMWFEESA-N 0 3 253.367 2.088 10 0 CEAEHN COc1cccc(CNC(C)C)c1O[C@@H](C)[C@H](C)O ZINC000094652909 184834527 /nfs/dbraw/zinc/83/45/27/184834527.db2.gz OXCJMGFKPWYHEA-RYUDHWBXSA-N 0 3 267.369 2.341 10 0 CEAEHN C[C@H](CC(=O)N1CCO[C@@H](CN(C)C)C1)C1CCCCC1 ZINC000116783522 533636605 /nfs/dbraw/zinc/63/66/05/533636605.db2.gz YQDWJLFQTLYFOI-ZBFHGGJFSA-N 0 3 296.455 2.382 10 0 CEAEHN CCC[C@](C)(N)C(=O)NCc1ccnc(O[C@H](C)CC)c1 ZINC000262101177 131191382 /nfs/dbraw/zinc/19/13/82/131191382.db2.gz CWNMPCOSYYPZAG-WBMJQRKESA-N 0 3 293.411 2.393 10 0 CEAEHN COc1ccc(OC)c(N2CCNC[C@@H]2C(C)C)c1 ZINC000083479490 135023915 /nfs/dbraw/zinc/02/39/15/135023915.db2.gz MPXNQYAKHYGMMZ-CQSZACIVSA-N 0 3 264.369 2.138 10 0 CEAEHN CC(C)NCc1cncc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000091418822 135069552 /nfs/dbraw/zinc/06/95/52/135069552.db2.gz WXZJKQFPNXTFMP-STQMWFEESA-N 0 3 262.401 2.457 10 0 CEAEHN CN(C)C[C@@H](NC(=O)NCc1ccoc1)c1ccccc1 ZINC000045185803 394509317 /nfs/dbraw/zinc/50/93/17/394509317.db2.gz SGUVOQLBMSQRDS-OAHLLOKOSA-N 0 3 287.363 2.382 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2nc(C)c(C)s2)C1 ZINC000049210943 394543239 /nfs/dbraw/zinc/54/32/39/394543239.db2.gz BBUDEYYPRFPFGG-NSHDSACASA-N 0 3 282.413 2.366 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000262590667 394620376 /nfs/dbraw/zinc/62/03/76/394620376.db2.gz UTLACDMGIJSFLR-VYDXJSESSA-N 0 3 289.423 2.066 10 0 CEAEHN NCc1cc(F)c(F)cc1I ZINC000098095781 394701716 /nfs/dbraw/zinc/70/17/16/394701716.db2.gz QXTXGZDPSSNEIW-UHFFFAOYSA-N 0 3 269.032 2.028 10 0 CEAEHN COC[C@H](C)C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000103382236 394715510 /nfs/dbraw/zinc/71/55/10/394715510.db2.gz KOSZGFKORDPPAM-DZGCQCFKSA-N 0 3 288.391 2.280 10 0 CEAEHN CN(CCOC(C)(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105804157 394722814 /nfs/dbraw/zinc/72/28/14/394722814.db2.gz UQRVALGOPCGWMY-CQSZACIVSA-N 0 3 292.427 2.192 10 0 CEAEHN Cc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)o1 ZINC000105905221 394722925 /nfs/dbraw/zinc/72/29/25/394722925.db2.gz ALLQACICNTXCPM-ZDUSSCGKSA-N 0 3 272.352 2.137 10 0 CEAEHN CCO[C@@H]1C[C@H](N(C)CCN2CCCC2=O)C12CCCC2 ZINC000121124665 394792712 /nfs/dbraw/zinc/79/27/12/394792712.db2.gz QDZPPNQCPAWEEU-LSDHHAIUSA-N 0 3 294.439 2.278 10 0 CEAEHN CC[C@@H]1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000122410576 394813877 /nfs/dbraw/zinc/81/38/77/394813877.db2.gz UEOFJPSUZXNRSL-ZIAGYGMSSA-N 0 3 269.433 2.404 10 0 CEAEHN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)C1CCCC1 ZINC000125367791 394842568 /nfs/dbraw/zinc/84/25/68/394842568.db2.gz FFKIEHDDKCLMLO-DGCLKSJQSA-N 0 3 278.400 2.428 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1N[C@@H]1CCc2cc(F)ccc21 ZINC000282129105 394910736 /nfs/dbraw/zinc/91/07/36/394910736.db2.gz BIBHQXMRJSAPDI-CUOATXAZSA-N 0 3 262.328 2.070 10 0 CEAEHN CN(C)CCNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000133887015 394955084 /nfs/dbraw/zinc/95/50/84/394955084.db2.gz MDXHYKNVDWYTNN-ZDUSSCGKSA-N 0 3 291.395 2.150 10 0 CEAEHN CC[C@H](C)CN(C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000132560736 394933445 /nfs/dbraw/zinc/93/34/45/394933445.db2.gz NDOJEXHVMZZADA-IHRRRGAJSA-N 0 3 269.433 2.403 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NC[C@@H](O)C(F)(F)F ZINC000380974295 395170959 /nfs/dbraw/zinc/17/09/59/395170959.db2.gz GLZAMYZQHOXZLO-WCQYABFASA-N 0 3 290.329 2.020 10 0 CEAEHN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(N[C@H]2C[C@@H]2C)C1 ZINC000180638316 395205103 /nfs/dbraw/zinc/20/51/03/395205103.db2.gz SSBSOZKDKUVSSJ-AAEUAGOBSA-N 0 3 297.395 2.036 10 0 CEAEHN Fc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2ncnn2C1 ZINC000183217690 395252895 /nfs/dbraw/zinc/25/28/95/395252895.db2.gz IBASJMZUSBEKRK-ZFWWWQNUSA-N 0 3 286.354 2.399 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1Cc1ccns1 ZINC000404334238 395282955 /nfs/dbraw/zinc/28/29/55/395282955.db2.gz AQIPOLZEEIJEQQ-NWDGAFQWSA-N 0 3 251.399 2.202 10 0 CEAEHN C[C@]1(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCN1 ZINC000403251085 395274784 /nfs/dbraw/zinc/27/47/84/395274784.db2.gz HQQUNIUQASYHRM-GUIRCDHDSA-N 0 3 250.386 2.071 10 0 CEAEHN CC(C)OC[C@@H](O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190952626 395344730 /nfs/dbraw/zinc/34/47/30/395344730.db2.gz OEXHUMOBXLRUMG-AWEZNQCLSA-N 0 3 285.428 2.196 10 0 CEAEHN NCc1ncoc1-c1ncsc1Br ZINC000575469664 400610641 /nfs/dbraw/zinc/61/06/41/400610641.db2.gz KMQVABNXKZIZNY-UHFFFAOYSA-N 0 3 260.116 2.019 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(F)nc1 ZINC000189436130 153093058 /nfs/dbraw/zinc/09/30/58/153093058.db2.gz AFBRTVHQIPEMQM-CQSZACIVSA-N 0 3 274.343 2.390 10 0 CEAEHN O=C(CCC(=O)N1CCN2CCC[C@H]2C1)c1cccs1 ZINC000195313747 153280325 /nfs/dbraw/zinc/28/03/25/153280325.db2.gz WUIFQGOHWXHSDB-LBPRGKRZSA-N 0 3 292.404 2.018 10 0 CEAEHN O=C(CCCOc1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000195313416 153283832 /nfs/dbraw/zinc/28/38/32/153283832.db2.gz HFFMYLNLGVIIRV-OAHLLOKOSA-N 0 3 288.391 2.152 10 0 CEAEHN CCc1csc([C@H]2CCCN(CCCO)C2)n1 ZINC000195443113 153289358 /nfs/dbraw/zinc/28/93/58/153289358.db2.gz AXLSEBCUOUPXSD-NSHDSACASA-N 0 3 254.399 2.267 10 0 CEAEHN CCc1noc([C@@H](C)N2CCC(c3ccn[nH]3)CC2)n1 ZINC000195507733 153294384 /nfs/dbraw/zinc/29/43/84/153294384.db2.gz YYCPSGZLEWGSEI-SNVBAGLBSA-N 0 3 275.356 2.296 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)[C@@H](CO)SC)c1C ZINC000223898722 153320283 /nfs/dbraw/zinc/32/02/83/153320283.db2.gz GJUZQBFQGQXXQH-GBIKHYSHSA-N 0 3 285.457 2.283 10 0 CEAEHN Cc1ccc2oc(-c3nc([C@H]4CNCCN4C)no3)cc2c1 ZINC000263166158 154028349 /nfs/dbraw/zinc/02/83/49/154028349.db2.gz FFEISZDZEACCOG-GFCCVEGCSA-N 0 3 298.346 2.367 10 0 CEAEHN CN1CCNC[C@H]1c1noc([C@@H]2CCCc3ccccc32)n1 ZINC000263278631 154047125 /nfs/dbraw/zinc/04/71/25/154047125.db2.gz TWKXQGJHSSRXKK-CABCVRRESA-N 0 3 298.390 2.114 10 0 CEAEHN C[C@@H](CCC1CC1)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263467829 154097788 /nfs/dbraw/zinc/09/77/88/154097788.db2.gz CZOGWYUQLKXUCX-JQRITLKVSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H](CCC1CC1)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263467829 154097794 /nfs/dbraw/zinc/09/77/94/154097794.db2.gz CZOGWYUQLKXUCX-JQRITLKVSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[C@H]1CCC[C@@H]([NH2+]C2CC(N(CC)CC(=O)[O-])C2)C1 ZINC000263494135 154105562 /nfs/dbraw/zinc/10/55/62/154105562.db2.gz JHMKPXWJBFCVBU-ZUJMUWTESA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@H]1CCC[C@@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)C1 ZINC000263494135 154105564 /nfs/dbraw/zinc/10/55/64/154105564.db2.gz JHMKPXWJBFCVBU-ZUJMUWTESA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@H]1CCC[C@@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)C1 ZINC000263494135 154105567 /nfs/dbraw/zinc/10/55/67/154105567.db2.gz JHMKPXWJBFCVBU-ZUJMUWTESA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@H]1CC[C@@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531660 154116009 /nfs/dbraw/zinc/11/60/09/154116009.db2.gz WVHRSVYKBWQMES-PPWQZUPISA-N 0 3 280.412 2.092 10 0 CEAEHN CC[C@H]1CC[C@@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531660 154116010 /nfs/dbraw/zinc/11/60/10/154116010.db2.gz WVHRSVYKBWQMES-PPWQZUPISA-N 0 3 280.412 2.092 10 0 CEAEHN CC[C@@H](C)[C@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263532974 154116295 /nfs/dbraw/zinc/11/62/95/154116295.db2.gz XOACYMUASSSICL-RMNLLRHXSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@@H](C)[C@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532974 154116297 /nfs/dbraw/zinc/11/62/97/154116297.db2.gz XOACYMUASSSICL-RMNLLRHXSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@@H](C)[C@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532974 154116298 /nfs/dbraw/zinc/11/62/98/154116298.db2.gz XOACYMUASSSICL-RMNLLRHXSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCS[C@@H](C)C1 ZINC000171425681 162384773 /nfs/dbraw/zinc/38/47/73/162384773.db2.gz RGWGYPIORRJTJB-QWHCGFSZSA-N 0 3 287.473 2.110 10 0 CEAEHN CCc1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000172247671 165054598 /nfs/dbraw/zinc/05/45/98/165054598.db2.gz YWJQHWSRKOQFOQ-HUUCEWRRSA-N 0 3 276.424 2.136 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCC1CCOCC1 ZINC000173833028 165088840 /nfs/dbraw/zinc/08/88/40/165088840.db2.gz DYQHLWKMUSAEOK-OAHLLOKOSA-N 0 3 284.444 2.286 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(COC)o1 ZINC000174963255 165122481 /nfs/dbraw/zinc/12/24/81/165122481.db2.gz BFCDQTUYXOVZGP-CHWSQXEVSA-N 0 3 292.379 2.125 10 0 CEAEHN CCc1nnc(NC(=O)N(C)C[C@@H]2CCCN2CC)s1 ZINC000176264544 165161032 /nfs/dbraw/zinc/16/10/32/165161032.db2.gz FUMNZTGJGBEZQX-JTQLQIEISA-N 0 3 297.428 2.049 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1 ZINC000177005738 165180338 /nfs/dbraw/zinc/18/03/38/165180338.db2.gz ZQUZICCMFSIXLJ-CQSZACIVSA-N 0 3 276.380 2.252 10 0 CEAEHN CC(C)c1csc([C@H]2CCCN(CCO)C2)n1 ZINC000177814726 165211861 /nfs/dbraw/zinc/21/18/61/165211861.db2.gz RCYOCHMEEVJCQT-NSHDSACASA-N 0 3 254.399 2.438 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC000180348558 165306297 /nfs/dbraw/zinc/30/62/97/165306297.db2.gz CRUBAWIEICPHIV-AWEZNQCLSA-N 0 3 292.427 2.329 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@H]1CCc3ccccc31)CC2 ZINC000180611376 165315529 /nfs/dbraw/zinc/31/55/29/165315529.db2.gz BFJLBDJLOHVWIR-HIFRSBDPSA-N 0 3 282.391 2.432 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)C2(C)CCCCCC2)CCO1 ZINC000180804424 165322220 /nfs/dbraw/zinc/32/22/20/165322220.db2.gz MUTFEBAVERWHHB-CQSZACIVSA-N 0 3 282.428 2.136 10 0 CEAEHN C[C@@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccoc1 ZINC000180930923 165324376 /nfs/dbraw/zinc/32/43/76/165324376.db2.gz TUDFOZXXOMQJSY-OCCSQVGLSA-N 0 3 272.352 2.389 10 0 CEAEHN C[C@@H](c1ccc(F)cc1F)N1CCO[C@@H](CN(C)C)C1 ZINC000247072850 287137679 /nfs/dbraw/zinc/13/76/79/287137679.db2.gz GPYUIEOHEBRRFO-AAEUAGOBSA-N 0 3 284.350 2.288 10 0 CEAEHN COc1cc(CO)ccc1OCCN1CCCCC1 ZINC000009280651 170369976 /nfs/dbraw/zinc/36/99/76/170369976.db2.gz YIJUQQBQEMDYMA-UHFFFAOYSA-N 0 3 265.353 2.052 10 0 CEAEHN CN(C)C[C@@H](NCc1cccnc1)c1ccccc1 ZINC000020129278 171017328 /nfs/dbraw/zinc/01/73/28/171017328.db2.gz SBMKEJOFRVZKCI-MRXNPFEDSA-N 0 3 255.365 2.474 10 0 CEAEHN CN(C)C[C@@H](NCc1ccncc1)c1ccccc1 ZINC000020129286 171017469 /nfs/dbraw/zinc/01/74/69/171017469.db2.gz LJKVBNITQXWTSM-MRXNPFEDSA-N 0 3 255.365 2.474 10 0 CEAEHN CCCCOc1ccc(CNCCNC(C)=O)cc1 ZINC000020185073 171048132 /nfs/dbraw/zinc/04/81/32/171048132.db2.gz RZSIILQJVYSZBT-UHFFFAOYSA-N 0 3 264.369 2.091 10 0 CEAEHN Cc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH3+])cc2)cc1 ZINC000020224443 171087279 /nfs/dbraw/zinc/08/72/79/171087279.db2.gz BYHOYLCOYLGXIN-UHFFFAOYSA-N 0 3 290.388 2.297 10 0 CEAEHN CCCN(C)[C@H](CN)c1cc(OC)ccc1OC ZINC000020226461 171090942 /nfs/dbraw/zinc/09/09/42/171090942.db2.gz KBRTWVGMMSCTBH-CYBMUJFWSA-N 0 3 252.358 2.045 10 0 CEAEHN CCOc1ccccc1[C@H](CN)N1CCSCC1 ZINC000020257044 171111883 /nfs/dbraw/zinc/11/18/83/171111883.db2.gz VMXPBPKXKJXCIP-ZDUSSCGKSA-N 0 3 266.410 2.134 10 0 CEAEHN CN(C)CCNc1ccc(Br)cc1N ZINC000020381680 171172719 /nfs/dbraw/zinc/17/27/19/171172719.db2.gz PSNAPJQFPBWWKN-UHFFFAOYSA-N 0 3 258.163 2.005 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)Oc1ccccc1CN ZINC000020386365 171175640 /nfs/dbraw/zinc/17/56/40/171175640.db2.gz YADYYRBHIMLYAJ-NSHDSACASA-N 0 3 264.369 2.217 10 0 CEAEHN C[C@@H](OC(C)(C)C)C(=O)Nc1cccc(CN)c1 ZINC000020508668 171229649 /nfs/dbraw/zinc/22/96/49/171229649.db2.gz UKYMRJFJPFTUOF-SNVBAGLBSA-N 0 3 250.342 2.287 10 0 CEAEHN CC(C)(C)OCCC(=O)Nc1cccc(CN)c1 ZINC000020508642 171229701 /nfs/dbraw/zinc/22/97/01/171229701.db2.gz XDTMBGQYVFMALN-UHFFFAOYSA-N 0 3 250.342 2.289 10 0 CEAEHN NC(=O)C[C@H](N)c1cccc(Oc2ccccc2)c1 ZINC000020577909 171256428 /nfs/dbraw/zinc/25/64/28/171256428.db2.gz XZJBDQKUGQSVBJ-AWEZNQCLSA-N 0 3 256.305 2.354 10 0 CEAEHN COc1ccccc1C(=O)Nc1cccc(CN)c1 ZINC000022146730 171356692 /nfs/dbraw/zinc/35/66/92/171356692.db2.gz PBRQSAIMRGDBPJ-UHFFFAOYSA-N 0 3 256.305 2.406 10 0 CEAEHN CC(=O)Nc1ccccc1Oc1ncccc1CN ZINC000022162863 171364628 /nfs/dbraw/zinc/36/46/28/171364628.db2.gz VAXCAEJDTVYMEJ-UHFFFAOYSA-N 0 3 257.293 2.291 10 0 CEAEHN C[C@H]1[C@H](NS(=O)(=O)c2ccccc2CN)CCC[C@@H]1C ZINC000022165823 171365642 /nfs/dbraw/zinc/36/56/42/171365642.db2.gz QFFMHZXKRHPIGI-OUCADQQQSA-N 0 3 296.436 2.248 10 0 CEAEHN CN(c1ccc(Cl)cc1N)C1CCN(C)CC1 ZINC000022165670 171365741 /nfs/dbraw/zinc/36/57/41/171365741.db2.gz UUWURRWSSZDDHF-UHFFFAOYSA-N 0 3 253.777 2.453 10 0 CEAEHN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(CN)c2)[C@@H]1C ZINC000022173419 171369384 /nfs/dbraw/zinc/36/93/84/171369384.db2.gz BFQDKNSJDNTJNV-LALPHHSUSA-N 0 3 296.436 2.248 10 0 CEAEHN COc1cccc(OC)c1Oc1ncccc1CN ZINC000022222396 171378997 /nfs/dbraw/zinc/37/89/97/171378997.db2.gz JDTCVVXRETUZFO-UHFFFAOYSA-N 0 3 260.293 2.350 10 0 CEAEHN Cc1ccc([C@H](N)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000035382338 172165679 /nfs/dbraw/zinc/16/56/79/172165679.db2.gz KXHAHKVDLSRZQI-CQSZACIVSA-N 0 3 274.345 2.436 10 0 CEAEHN CCCC[C@H](N)c1nc(CCN(CC)CC)no1 ZINC000035411346 172182797 /nfs/dbraw/zinc/18/27/97/172182797.db2.gz PRJITDRYVYBADK-NSHDSACASA-N 0 3 254.378 2.144 10 0 CEAEHN CCNCc1c(N(C)C(C)C)nc2sccn12 ZINC000035429821 172198184 /nfs/dbraw/zinc/19/81/84/172198184.db2.gz SMFJWHLMGRBDOD-UHFFFAOYSA-N 0 3 252.387 2.350 10 0 CEAEHN CN[C@H](c1ccc(OC)c(OC)c1)[C@@H]1CCCO1 ZINC000035463407 172211873 /nfs/dbraw/zinc/21/18/73/172211873.db2.gz RRQREHSEYLBPRR-GXTWGEPZSA-N 0 3 251.326 2.143 10 0 CEAEHN CN[C@H](CC(F)(F)F)c1ccc2c(c1)CC(=O)N2 ZINC000035495959 172228648 /nfs/dbraw/zinc/22/86/48/172228648.db2.gz YCDLBIMILPNXMW-SNVBAGLBSA-N 0 3 258.243 2.394 10 0 CEAEHN CN[C@@H](c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000035500601 172235036 /nfs/dbraw/zinc/23/50/36/172235036.db2.gz RQVHADUNRPEMSV-GFCCVEGCSA-N 0 3 260.318 2.491 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)OCCO2)[C@H]1CCCO1 ZINC000035545075 172252877 /nfs/dbraw/zinc/25/28/77/172252877.db2.gz UMLQAGABJNMJPQ-HIFRSBDPSA-N 0 3 263.337 2.287 10 0 CEAEHN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N ZINC000035571727 172267647 /nfs/dbraw/zinc/26/76/47/172267647.db2.gz KBMATORPRKJBNN-CHWSQXEVSA-N 0 3 292.379 2.357 10 0 CEAEHN CN(C)CCOc1c(Cl)cc(Cl)cc1CO ZINC000035662580 172340660 /nfs/dbraw/zinc/34/06/60/172340660.db2.gz NFITUPNZCJXAEE-UHFFFAOYSA-N 0 3 264.152 2.426 10 0 CEAEHN N[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000035679607 172350298 /nfs/dbraw/zinc/35/02/98/172350298.db2.gz LREFEKIDGXPZSE-LURJTMIESA-N 0 3 278.661 2.423 10 0 CEAEHN CC(C)N[C@@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760625 172398787 /nfs/dbraw/zinc/39/87/87/172398787.db2.gz FBZLFVQKXUOOKK-ZYHUDNBSSA-N 0 3 253.367 2.292 10 0 CEAEHN CN([C@@H](CN)c1cccc(F)c1)[C@@H]1CCSC1 ZINC000037174490 173009070 /nfs/dbraw/zinc/00/90/70/173009070.db2.gz GPVQNGNNGSLYJT-OLZOCXBDSA-N 0 3 254.374 2.263 10 0 CEAEHN COC(=O)c1ccccc1CN[C@H](C)[C@H]1CCCO1 ZINC000037242276 173058530 /nfs/dbraw/zinc/05/85/30/173058530.db2.gz COBIOCBWSZMLED-BXUZGUMPSA-N 0 3 263.337 2.130 10 0 CEAEHN O=C(CN[C@H](c1ccc(F)cc1)C1CC1)NC1CC1 ZINC000037262976 173072863 /nfs/dbraw/zinc/07/28/63/173072863.db2.gz ABBISNMYGLITMG-HNNXBMFYSA-N 0 3 262.328 2.145 10 0 CEAEHN CCCNCc1c(Cl)cccc1N(C)CC(=O)NC ZINC000037271337 173083377 /nfs/dbraw/zinc/08/33/77/173083377.db2.gz VULAAMJRRNJCPG-UHFFFAOYSA-N 0 3 283.803 2.022 10 0 CEAEHN CC[C@H](C)CN(C)CC(=O)Nc1c(C)cccc1N ZINC000037273527 173085620 /nfs/dbraw/zinc/08/56/20/173085620.db2.gz BTTMEBKGSWXLHU-NSHDSACASA-N 0 3 263.385 2.494 10 0 CEAEHN COC(=O)CCCNCc1ccc(SC)cc1 ZINC000037395190 173175316 /nfs/dbraw/zinc/17/53/16/173175316.db2.gz SIEPYVHVRGDNCJ-UHFFFAOYSA-N 0 3 253.367 2.451 10 0 CEAEHN COC(=O)CCCNCc1ccc(OC(F)F)cc1 ZINC000037416040 173193538 /nfs/dbraw/zinc/19/35/38/173193538.db2.gz PXYQSYKTLGTEGG-UHFFFAOYSA-N 0 3 273.279 2.331 10 0 CEAEHN C[C@H](NC(=O)CNC1CC1)c1ccc(Cl)s1 ZINC000037477043 173228144 /nfs/dbraw/zinc/22/81/44/173228144.db2.gz KRUOKNKMPOZSSP-ZETCQYMHSA-N 0 3 258.774 2.331 10 0 CEAEHN COCCN(CCOC)[C@@H](CN)c1ccc(SC)cc1 ZINC000037489468 173231855 /nfs/dbraw/zinc/23/18/55/173231855.db2.gz VUQHPERPIZQAMO-HNNXBMFYSA-N 0 3 298.452 2.003 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1F ZINC000040464178 174273340 /nfs/dbraw/zinc/27/33/40/174273340.db2.gz IWXAHJQIUDEGFK-CWSCBRNRSA-N 0 3 252.333 2.376 10 0 CEAEHN CSCC[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000040467335 174275690 /nfs/dbraw/zinc/27/56/90/174275690.db2.gz YRQXMLNHKATVIY-SDDRHHMPSA-N 0 3 258.431 2.104 10 0 CEAEHN Cc1cc(C)c(CN)c(OC[C@@H]2CCCCO2)n1 ZINC000040509651 174303923 /nfs/dbraw/zinc/30/39/23/174303923.db2.gz UZHMYOZNKHJYEF-LBPRGKRZSA-N 0 3 250.342 2.105 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519136 174308775 /nfs/dbraw/zinc/30/87/75/174308775.db2.gz CSCQPQMETBGJGJ-RNCFNFMXSA-N 0 3 269.414 2.455 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000040629685 174357855 /nfs/dbraw/zinc/35/78/55/174357855.db2.gz YUBZJBFXUONOPF-GZMMTYOYSA-N 0 3 289.162 2.309 10 0 CEAEHN COc1ccccc1-c1c[nH]c([C@@H]2C[C@@H](OC)CN2)n1 ZINC000040637917 174362252 /nfs/dbraw/zinc/36/22/52/174362252.db2.gz RXDTYRTXYBFVET-PWSUYJOCSA-N 0 3 273.336 2.135 10 0 CEAEHN CCOC1CCN([C@H](CN)c2ccc(F)cc2F)CC1 ZINC000040678673 174374629 /nfs/dbraw/zinc/37/46/29/174374629.db2.gz LVRPCRKICJHZGO-OAHLLOKOSA-N 0 3 284.350 2.466 10 0 CEAEHN CCOC1CCN(C[C@@H]2Cc3ccccc3CN2)CC1 ZINC000040690149 174377029 /nfs/dbraw/zinc/37/70/29/174377029.db2.gz CQJHTXSRZOMUHU-INIZCTEOSA-N 0 3 274.408 2.202 10 0 CEAEHN NCc1c(Oc2ccc(CO)cc2)nc2sccn21 ZINC000040711268 174381289 /nfs/dbraw/zinc/38/12/89/174381289.db2.gz UPJBFQBPOLNWNJ-UHFFFAOYSA-N 0 3 275.333 2.139 10 0 CEAEHN Cc1cc(C)c([C@@H](N)Cn2cnc(C)cc2=O)c(C)c1 ZINC000040728190 174387842 /nfs/dbraw/zinc/38/78/42/174387842.db2.gz FKVVMPYTTPOJHE-AWEZNQCLSA-N 0 3 271.364 2.177 10 0 CEAEHN CC(C)Cc1ccc([C@H](N)CN2C(=O)C[C@@H](C)C2=O)cc1 ZINC000040739867 174390444 /nfs/dbraw/zinc/39/04/44/174390444.db2.gz LZEJLXFDQMUYSV-IUODEOHRSA-N 0 3 288.391 2.280 10 0 CEAEHN Cc1cc(C)cc(OCCN2C[C@@H](C)C[C@H](O)C2)c1 ZINC000401698497 414754316 /nfs/dbraw/zinc/75/43/16/414754316.db2.gz LTKPSBPIDFTKAG-GJZGRUSLSA-N 0 3 263.381 2.385 10 0 CEAEHN CN(C(=O)Cc1ccccc1Cl)[C@@H](CN)C(F)(F)F ZINC000662975052 414814857 /nfs/dbraw/zinc/81/48/57/414814857.db2.gz DSMYCIHLCWWZPM-JTQLQIEISA-N 0 3 294.704 2.231 10 0 CEAEHN CN(C(=O)CCCc1ccccc1)[C@H](CN)C(F)(F)F ZINC000662977523 414816939 /nfs/dbraw/zinc/81/69/39/414816939.db2.gz LAHJJRUOELUMHW-GFCCVEGCSA-N 0 3 288.313 2.357 10 0 CEAEHN CCCC[C@H](C)C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662985004 414818566 /nfs/dbraw/zinc/81/85/66/414818566.db2.gz QCIUMRLMDUHTTN-IUCAKERBSA-N 0 3 254.296 2.161 10 0 CEAEHN CN(C(=O)C1CCC2(CC2)CC1)[C@@H](CN)C(F)(F)F ZINC000662986502 414819104 /nfs/dbraw/zinc/81/91/04/414819104.db2.gz GMUXDPSGPCPMPO-JTQLQIEISA-N 0 3 278.318 2.305 10 0 CEAEHN CN(C(=O)c1sccc1Cl)[C@@H](CN)C(F)(F)F ZINC000662983455 414819548 /nfs/dbraw/zinc/81/95/48/414819548.db2.gz CJDAPLVBVIGZTD-LURJTMIESA-N 0 3 286.706 2.363 10 0 CEAEHN COc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)on1 ZINC000660463664 414836134 /nfs/dbraw/zinc/83/61/34/414836134.db2.gz DUVJKRRTCGSPPV-MCIONIFRSA-N 0 3 280.368 2.199 10 0 CEAEHN CSc1cccc(CN[C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000660480382 414843145 /nfs/dbraw/zinc/84/31/45/414843145.db2.gz UCQZANDADWTRTM-ZWNOBZJWSA-N 0 3 264.394 2.165 10 0 CEAEHN CN1C[C@@H](CNCc2ccc(F)cc2Cl)CC1=O ZINC000657695730 415051392 /nfs/dbraw/zinc/05/13/92/415051392.db2.gz CSAOAEIAVOMZMT-SECBINFHSA-N 0 3 270.735 2.047 10 0 CEAEHN CC[C@H](N)[C@@H](c1cccc(Cl)c1)N(C)CC(=O)N(C)C ZINC000043014125 174941533 /nfs/dbraw/zinc/94/15/33/174941533.db2.gz WSJHMDMXORFCBA-DZGCQCFKSA-N 0 3 297.830 2.138 10 0 CEAEHN COc1ccccc1[C@@H](CN)N(C)Cc1cc(C)on1 ZINC000043097632 174965948 /nfs/dbraw/zinc/96/59/48/174965948.db2.gz BDNMZTCFQJLYJM-CQSZACIVSA-N 0 3 275.352 2.123 10 0 CEAEHN N[C@@H](c1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000043299789 175000564 /nfs/dbraw/zinc/00/05/64/175000564.db2.gz CHNRLMZKUMUGBL-IUODEOHRSA-N 0 3 275.373 2.274 10 0 CEAEHN CC(C)c1ccc([C@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000043299987 175001062 /nfs/dbraw/zinc/00/10/62/175001062.db2.gz GJRJCSBBFCJVKF-KBPBESRZSA-N 0 3 267.394 2.245 10 0 CEAEHN Cc1cccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000043314402 175004042 /nfs/dbraw/zinc/00/40/42/175004042.db2.gz XDMUZBFGNVINLC-DVOMOZLQSA-N 0 3 262.397 2.412 10 0 CEAEHN CCOC(=O)[C@@H](NCCN(C)C)c1cccc(C)c1C ZINC000043315738 175004410 /nfs/dbraw/zinc/00/44/10/175004410.db2.gz OSFBOGFPQPKKJH-HNNXBMFYSA-N 0 3 278.396 2.059 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043334342 175010840 /nfs/dbraw/zinc/01/08/40/175010840.db2.gz CMHYSWVWWGVJJD-OPDFLTKYSA-N 0 3 252.358 2.167 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccco1)N(C)Cc1cc(C)on1 ZINC000043335284 175011470 /nfs/dbraw/zinc/01/14/70/175011470.db2.gz JRZVRSGBBJKGCB-OCCSQVGLSA-N 0 3 263.341 2.486 10 0 CEAEHN C[C@@H](N)[C@H](c1ccco1)N(C)Cc1cscn1 ZINC000043336328 175012821 /nfs/dbraw/zinc/01/28/21/175012821.db2.gz DMJRLPVFSJACRK-BXKDBHETSA-N 0 3 251.355 2.256 10 0 CEAEHN NC[C@H](c1ccccn1)N1CCC[C@@H]1c1ccncc1 ZINC000043339395 175013599 /nfs/dbraw/zinc/01/35/99/175013599.db2.gz ZJBGGPYMAMOANP-HZPDHXFCSA-N 0 3 268.364 2.314 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341214 175015107 /nfs/dbraw/zinc/01/51/07/175015107.db2.gz BZCCYLGTQDOLAA-MFKMUULPSA-N 0 3 262.382 2.058 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N1CCO[C@@H](CC)C1 ZINC000043364191 175024816 /nfs/dbraw/zinc/02/48/16/175024816.db2.gz HJYNOXQQIRZFOT-GZBFAFLISA-N 0 3 266.385 2.477 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2cc(C)cc(C)c2)CCO1 ZINC000043394117 175034696 /nfs/dbraw/zinc/03/46/96/175034696.db2.gz BNMFNVZUUILHPZ-HOTGVXAUSA-N 0 3 262.397 2.414 10 0 CEAEHN CCOC(=O)[C@H](NCCN(C)C)c1cc(C)cc(C)c1 ZINC000043394934 175035423 /nfs/dbraw/zinc/03/54/23/175035423.db2.gz BSULRTVRYGDXCA-OAHLLOKOSA-N 0 3 278.396 2.059 10 0 CEAEHN CCOc1ccccc1[C@H](CN1C[C@@H](C)O[C@@H](C)C1)NC ZINC000043811392 175110152 /nfs/dbraw/zinc/11/01/52/175110152.db2.gz XBFPYYVSQORROO-LZWOXQAQSA-N 0 3 292.423 2.455 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@@H]1N(C)Cc1cccnc1 ZINC000043893525 175118500 /nfs/dbraw/zinc/11/85/00/175118500.db2.gz YEOWMLDCEASUKL-DOTOQJQBSA-N 0 3 283.375 2.235 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N1CCOCC1(C)C ZINC000043917135 175125787 /nfs/dbraw/zinc/12/57/87/175125787.db2.gz KMDQYBRSZZLHDL-GDBMZVCRSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N(CC)CCOC ZINC000043968701 175129474 /nfs/dbraw/zinc/12/94/74/175129474.db2.gz LZOIUMZTSKXZFN-GOEBONIOSA-N 0 3 278.396 2.067 10 0 CEAEHN CC[C@@H]1CCCN1C(=O)[C@H](CN)Cc1ccccc1 ZINC000044803283 175255977 /nfs/dbraw/zinc/25/59/77/175255977.db2.gz AADORWSRBHIIOB-LSDHHAIUSA-N 0 3 260.381 2.205 10 0 CEAEHN CC(C)CN(C(=O)[C@H](CN)Cc1ccccc1)C1CC1 ZINC000044807565 175257049 /nfs/dbraw/zinc/25/70/49/175257049.db2.gz BGOYPOOFPQYMTN-HNNXBMFYSA-N 0 3 274.408 2.451 10 0 CEAEHN CCN[C@@](C)(CCOC)c1nc2c(s1)CCC2 ZINC000045044673 175295418 /nfs/dbraw/zinc/29/54/18/175295418.db2.gz MDWTVHPIHHJVMZ-ZDUSSCGKSA-N 0 3 254.399 2.493 10 0 CEAEHN CN(CC(C)(C)C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000045085688 175303717 /nfs/dbraw/zinc/30/37/17/175303717.db2.gz ILTFJKGPGTYPDB-CQSZACIVSA-N 0 3 262.397 2.309 10 0 CEAEHN NC1(C(=O)N2CCC[C@H]2C2CCCC2)CCCC1 ZINC000045088364 175304494 /nfs/dbraw/zinc/30/44/94/175304494.db2.gz LAQBPKHPKFSAAR-ZDUSSCGKSA-N 0 3 250.386 2.439 10 0 CEAEHN COc1nc(N(C)C)sc1CN[C@H]1CC1(C)C ZINC000045117113 175311674 /nfs/dbraw/zinc/31/16/74/175311674.db2.gz SPAHEEMHLDXXEM-VIFPVBQESA-N 0 3 255.387 2.106 10 0 CEAEHN CC[C@H](C)[C@@H](N)c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169390 175320207 /nfs/dbraw/zinc/32/02/07/175320207.db2.gz HSTYENFOOLZFKW-ISVAXAHUSA-N 0 3 261.373 2.473 10 0 CEAEHN CC[N@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])CC(C)C ZINC000045264171 175337565 /nfs/dbraw/zinc/33/75/65/175337565.db2.gz XECVCBCYYZDNQI-CQSZACIVSA-N 0 3 258.406 2.196 10 0 CEAEHN CC[N@@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])CC(C)C ZINC000045264171 175337566 /nfs/dbraw/zinc/33/75/66/175337566.db2.gz XECVCBCYYZDNQI-CQSZACIVSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN(CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])CC(C)C ZINC000045264171 175337568 /nfs/dbraw/zinc/33/75/68/175337568.db2.gz XECVCBCYYZDNQI-CQSZACIVSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN(CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045267945 175339742 /nfs/dbraw/zinc/33/97/42/175339742.db2.gz PIYPAORLENFUJU-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCCCN(C)C[C@@](N)(C(=O)OC)c1ccccc1 ZINC000045268065 175339772 /nfs/dbraw/zinc/33/97/72/175339772.db2.gz XTAWQEKKHXYEGN-INIZCTEOSA-N 0 3 278.396 2.136 10 0 CEAEHN CN[C@@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271952 175342179 /nfs/dbraw/zinc/34/21/79/175342179.db2.gz MGQUYQJSHYTCBS-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CN[C@@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271952 175342180 /nfs/dbraw/zinc/34/21/80/175342180.db2.gz MGQUYQJSHYTCBS-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045274754 175345002 /nfs/dbraw/zinc/34/50/02/175345002.db2.gz GJUCYNWSSKZGNC-BLLLJJGKSA-N 0 3 284.444 2.427 10 0 CEAEHN CCCCN(CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045276313 175346314 /nfs/dbraw/zinc/34/63/14/175346314.db2.gz DITYNEORYVKXPU-OAHLLOKOSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281013 175351373 /nfs/dbraw/zinc/35/13/73/175351373.db2.gz SDGMIEMWZVFFQV-HNNXBMFYSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281013 175351374 /nfs/dbraw/zinc/35/13/74/175351374.db2.gz SDGMIEMWZVFFQV-HNNXBMFYSA-N 0 3 270.417 2.338 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCC(CC)CC1)NC(C)C ZINC000045281396 175351985 /nfs/dbraw/zinc/35/19/85/175351985.db2.gz FBPOZWBFYPTOKY-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN C[C@H](NC[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1F ZINC000658245594 415280081 /nfs/dbraw/zinc/28/00/81/415280081.db2.gz SRTJXBLMGVQBJQ-VHSXEESVSA-N 0 3 268.307 2.094 10 0 CEAEHN CCCc1ccccc1NC(=O)[C@@]1(COC)CCCN1 ZINC000659264183 415478932 /nfs/dbraw/zinc/47/89/32/415478932.db2.gz FAMQSEHWGMRUDZ-INIZCTEOSA-N 0 3 276.380 2.346 10 0 CEAEHN CNCc1ccnn1Cc1ccccc1Br ZINC000070708827 176002819 /nfs/dbraw/zinc/00/28/19/176002819.db2.gz PRBHEQGEMGAVSI-UHFFFAOYSA-N 0 3 280.169 2.413 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(F)cc1F ZINC000070987420 176018498 /nfs/dbraw/zinc/01/84/98/176018498.db2.gz CLFHCNSAFJELRH-GXTWGEPZSA-N 0 3 266.291 2.118 10 0 CEAEHN CCc1nc(N2CC[C@H](NC(C)C)C2=O)sc1C ZINC000071032251 176023388 /nfs/dbraw/zinc/02/33/88/176023388.db2.gz YPRKWEAYMZZLIV-NSHDSACASA-N 0 3 267.398 2.117 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1CCc1ccsc1 ZINC000071032288 176023426 /nfs/dbraw/zinc/02/34/26/176023426.db2.gz OMIMSLQNMHGGGG-CYBMUJFWSA-N 0 3 264.394 2.034 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1Cc1ccccc1F ZINC000071032837 176023541 /nfs/dbraw/zinc/02/35/41/176023541.db2.gz TXRNKANYSSKWOH-AWEZNQCLSA-N 0 3 262.328 2.069 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1C1CCCCCCC1 ZINC000071037733 176026732 /nfs/dbraw/zinc/02/67/32/176026732.db2.gz YXXXYTTUJAFSPE-CQSZACIVSA-N 0 3 250.386 2.452 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1[C@@H]1CCc2ccccc2C1 ZINC000071041974 176028076 /nfs/dbraw/zinc/02/80/76/176028076.db2.gz DQADALZXGMWKSR-SJORKVTESA-N 0 3 284.403 2.287 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1c1cc(F)c(F)cc1F ZINC000071042661 176028503 /nfs/dbraw/zinc/02/85/03/176028503.db2.gz UMHSGXAAQAUFGJ-LBPRGKRZSA-N 0 3 284.281 2.351 10 0 CEAEHN COC(CNCc1ccc2c(c1)CC(C)(C)O2)OC ZINC000071170252 176051108 /nfs/dbraw/zinc/05/11/08/176051108.db2.gz TULARGQCHCEAFD-UHFFFAOYSA-N 0 3 265.353 2.109 10 0 CEAEHN NCc1cnc(Sc2cc(F)ccc2F)cn1 ZINC000071178555 176055749 /nfs/dbraw/zinc/05/57/49/176055749.db2.gz UULVQWPPNVALMD-UHFFFAOYSA-N 0 3 253.277 2.365 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1O[C@@H]1CCN(C)C1=O ZINC000071183193 176058328 /nfs/dbraw/zinc/05/83/28/176058328.db2.gz QFQJNEOOCKAPMB-BXUZGUMPSA-N 0 3 294.370 2.496 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000071189313 176064687 /nfs/dbraw/zinc/06/46/87/176064687.db2.gz CSHMEBZTZWXBOD-VIFPVBQESA-N 0 3 286.297 2.128 10 0 CEAEHN CCOC(=O)c1ncsc1N[C@H](C)CN1CCCC1 ZINC000071202077 176078351 /nfs/dbraw/zinc/07/83/51/176078351.db2.gz VCUVHVMKRYCGGH-SNVBAGLBSA-N 0 3 283.397 2.216 10 0 CEAEHN c1ccc2c(c1)C[C@@H](CNC1=NC[C@@H](C3CC3)S1)O2 ZINC000071307915 176116404 /nfs/dbraw/zinc/11/64/04/176116404.db2.gz NEQJHVKHBUOITL-JSGCOSHPSA-N 0 3 274.389 2.461 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335724 176126977 /nfs/dbraw/zinc/12/69/77/176126977.db2.gz LPAWJGJYRHHDMJ-ZDUSSCGKSA-N 0 3 299.459 2.172 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2cc(C)ccc2N)CC1 ZINC000071384049 176146979 /nfs/dbraw/zinc/14/69/79/176146979.db2.gz RNVMMPIKMQCCKQ-CQSZACIVSA-N 0 3 261.413 2.493 10 0 CEAEHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N)c(Cl)c1 ZINC000071394894 176149503 /nfs/dbraw/zinc/14/95/03/176149503.db2.gz MIZYRFZIHUAUCT-LLVKDONJSA-N 0 3 281.787 2.136 10 0 CEAEHN CCCCNC(=O)[C@H](C)Oc1ccc(C)cc1CN ZINC000071403379 176154655 /nfs/dbraw/zinc/15/46/55/176154655.db2.gz ATKCVMZWAKZCFR-LBPRGKRZSA-N 0 3 264.369 2.137 10 0 CEAEHN Cc1ccc(O[C@@H](C)C(=O)NC2CCCC2)c(CN)c1 ZINC000071403358 176154683 /nfs/dbraw/zinc/15/46/83/176154683.db2.gz UQYHKYFJUNWQBA-LBPRGKRZSA-N 0 3 276.380 2.280 10 0 CEAEHN CC[C@H](Oc1ccc(C)cc1CNC(C)C)C(N)=O ZINC000071406567 176155962 /nfs/dbraw/zinc/15/59/62/176155962.db2.gz SXMCMWPENHGKMX-ZDUSSCGKSA-N 0 3 264.369 2.136 10 0 CEAEHN CNC(=O)[C@H](C)Oc1ccc(C)cc1CNC(C)C ZINC000071406638 176156148 /nfs/dbraw/zinc/15/61/48/176156148.db2.gz NINNMYYCPUYLEI-LBPRGKRZSA-N 0 3 264.369 2.006 10 0 CEAEHN CO[C@@](C)(CN)c1ccc(Br)s1 ZINC000071571737 176197433 /nfs/dbraw/zinc/19/74/33/176197433.db2.gz CWAGANMSVVPVPN-QMMMGPOBSA-N 0 3 250.161 2.331 10 0 CEAEHN N[C@@H](CO)c1ccc(Br)c(Cl)c1 ZINC000072199137 176339656 /nfs/dbraw/zinc/33/96/56/176339656.db2.gz MAQPLFXZWZJVQQ-QMMMGPOBSA-N 0 3 250.523 2.095 10 0 CEAEHN CCC[C@H]1C[C@@H]1NC(=O)c1cc2c(s1)CCNC2 ZINC000662518076 415871339 /nfs/dbraw/zinc/87/13/39/415871339.db2.gz ZGFMJAQFGXVHAF-ONGXEEELSA-N 0 3 264.394 2.312 10 0 CEAEHN O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H](F)CN1 ZINC000662664311 415924643 /nfs/dbraw/zinc/92/46/43/415924643.db2.gz RAZJOFIOCVQDLA-GZMMTYOYSA-N 0 3 291.153 2.310 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662716503 415941450 /nfs/dbraw/zinc/94/14/50/415941450.db2.gz UKYHZOHYKSZLRX-IACUBPJLSA-N 0 3 252.402 2.399 10 0 CEAEHN CCOC(=O)CCCCCN1[C@H](C)COC[C@H]1C ZINC000077369878 177259359 /nfs/dbraw/zinc/25/93/59/177259359.db2.gz RIWXJKNMLKRPIW-CHWSQXEVSA-N 0 3 257.374 2.219 10 0 CEAEHN Cc1ccc(NC(=O)[C@@H](C)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000079043245 177420074 /nfs/dbraw/zinc/42/00/74/177420074.db2.gz XBTSPEQKNSUSOY-SNPRPXQTSA-N 0 3 276.380 2.215 10 0 CEAEHN CC1(C)CCC(=O)[C@@H](CN2CCN(C3CC3)CC2)C1 ZINC000079662610 177532890 /nfs/dbraw/zinc/53/28/90/177532890.db2.gz NGXGCHBQZALCRR-CYBMUJFWSA-N 0 3 264.413 2.162 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCS[C@H](C)CC2)[C@@H](C)C1 ZINC000192260912 270277072 /nfs/dbraw/zinc/27/70/72/270277072.db2.gz RAIMNUQCXURKCB-MJBXVCDLSA-N 0 3 299.484 2.252 10 0 CEAEHN CCc1ccc(OCC(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000194632462 270301917 /nfs/dbraw/zinc/30/19/17/270301917.db2.gz IBNATTUQFXCASR-HNNXBMFYSA-N 0 3 290.407 2.228 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC000194655445 270302229 /nfs/dbraw/zinc/30/22/29/270302229.db2.gz FMYYMUILZDKVAM-OCCSQVGLSA-N 0 3 294.370 2.194 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@@H](O)C2CCC2)c1C ZINC000316292779 270334432 /nfs/dbraw/zinc/33/44/32/270334432.db2.gz ZLVGFNRAAPBEMH-QMTHXVAHSA-N 0 3 265.401 2.331 10 0 CEAEHN CCOc1ccc(OCCN2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399386868 270369258 /nfs/dbraw/zinc/36/92/58/270369258.db2.gz BPNKOVRCQUAGEX-UONOGXRCSA-N 0 3 279.380 2.309 10 0 CEAEHN CC1(C)CN(c2cc(C(F)(F)F)ccn2)CCN1 ZINC000212756216 273584759 /nfs/dbraw/zinc/58/47/59/273584759.db2.gz ATKRDCSQSUZPDJ-UHFFFAOYSA-N 0 3 259.275 2.289 10 0 CEAEHN C[C@H]1CN(c2ncc(Cl)cc2Br)CCN1 ZINC000162764038 274599120 /nfs/dbraw/zinc/59/91/20/274599120.db2.gz SCZNRQHDESBZRU-ZETCQYMHSA-N 0 3 290.592 2.296 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000248342959 275051424 /nfs/dbraw/zinc/05/14/24/275051424.db2.gz JWTOXNLIWLCZAM-HOTGVXAUSA-N 0 3 278.371 2.029 10 0 CEAEHN c1ccc2nc(N3CCN4CCCC[C@@H]4C3)cnc2c1 ZINC000054058250 275071935 /nfs/dbraw/zinc/07/19/35/275071935.db2.gz WGFIZHCQSJVRAK-CYBMUJFWSA-N 0 3 268.364 2.304 10 0 CEAEHN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H](N)C1=O ZINC000002513868 275521732 /nfs/dbraw/zinc/52/17/32/275521732.db2.gz NXNBNRIAPCKSDV-LLVKDONJSA-N 0 3 276.336 2.228 10 0 CEAEHN CC(C)C[C@H](NC[C@@H]1CN(C)CCO1)c1ccccn1 ZINC000180495010 275916469 /nfs/dbraw/zinc/91/64/69/275916469.db2.gz JMWBITDVNFKGIG-ZBFHGGJFSA-N 0 3 277.412 2.089 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247466533 277063963 /nfs/dbraw/zinc/06/39/63/277063963.db2.gz RNAFKOCZRJHQMH-ILXRZTDVSA-N 0 3 264.413 2.413 10 0 CEAEHN CSC[C@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000131538886 277514551 /nfs/dbraw/zinc/51/45/51/277514551.db2.gz IPHQCJKCTGCSMR-CMPLNLGQSA-N 0 3 264.394 2.435 10 0 CEAEHN COCC[C@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000081705882 277552250 /nfs/dbraw/zinc/55/22/50/277552250.db2.gz JTHANMBANIQOOG-AAEUAGOBSA-N 0 3 262.353 2.109 10 0 CEAEHN C[C@H](N[C@@H]1CC(=O)N(C)c2ccccc21)[C@H]1CCCO1 ZINC000037242973 278269410 /nfs/dbraw/zinc/26/94/10/278269410.db2.gz HRDLHUKWSGWRGW-NJZAAPMLSA-N 0 3 274.364 2.251 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC[C@@H]1CCOC1=O ZINC000120495525 279194672 /nfs/dbraw/zinc/19/46/72/279194672.db2.gz VXANFTJLPQCODF-KGLIPLIRSA-N 0 3 291.395 2.127 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](OC)c1ccccc1 ZINC000177025692 279326617 /nfs/dbraw/zinc/32/66/17/279326617.db2.gz VFHMELIRDNBOSX-JKSUJKDBSA-N 0 3 290.407 2.317 10 0 CEAEHN Cc1noc(C)c1CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000067761157 279655851 /nfs/dbraw/zinc/65/58/51/279655851.db2.gz RSXKQIAUYXHKNF-CYBMUJFWSA-N 0 3 296.415 2.067 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCC2(SC)CCC2)C1 ZINC000194917227 280198660 /nfs/dbraw/zinc/19/86/60/280198660.db2.gz UHFFPZXSUXGODH-GFCCVEGCSA-N 0 3 285.457 2.056 10 0 CEAEHN CCn1nccc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245768222 280260222 /nfs/dbraw/zinc/26/02/22/280260222.db2.gz REDKWUMSQXWCCY-ZFWWWQNUSA-N 0 3 263.385 2.030 10 0 CEAEHN CN(C)C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1 ZINC000246485525 280296785 /nfs/dbraw/zinc/29/67/85/280296785.db2.gz LSIZZGHOSIJEFI-XHSDSOJGSA-N 0 3 272.392 2.452 10 0 CEAEHN CC1(C)CCCC[C@@H]1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000246553418 280300790 /nfs/dbraw/zinc/30/07/90/280300790.db2.gz MTTQPPIBHBDFKB-KBPBESRZSA-N 0 3 279.428 2.445 10 0 CEAEHN CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)C1(C)C ZINC000249076742 280382862 /nfs/dbraw/zinc/38/28/62/280382862.db2.gz ODCUTIBLPWJMLQ-FAAHXZRKSA-N 0 3 294.439 2.083 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000175436907 288310617 /nfs/dbraw/zinc/31/06/17/288310617.db2.gz WDXRJKYPNNURQR-UONOGXRCSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000175436907 288310619 /nfs/dbraw/zinc/31/06/19/288310619.db2.gz WDXRJKYPNNURQR-UONOGXRCSA-N 0 3 288.391 2.399 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000069135399 281383093 /nfs/dbraw/zinc/38/30/93/281383093.db2.gz PNTXQGLUOOEGLE-QWHCGFSZSA-N 0 3 267.394 2.223 10 0 CEAEHN CC(=O)N[C@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000153941873 289128168 /nfs/dbraw/zinc/12/81/68/289128168.db2.gz JUHHAWLXPJTEPM-AWEZNQCLSA-N 0 3 271.364 2.268 10 0 CEAEHN CCC[C@@H](NC[C@H]1CCCN1CC(C)C)C(=O)OCC ZINC000155210063 289168126 /nfs/dbraw/zinc/16/81/26/289168126.db2.gz HNINOEKAFBHVHU-HUUCEWRRSA-N 0 3 284.444 2.428 10 0 CEAEHN CCc1noc(C)c1NC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000155736048 289181677 /nfs/dbraw/zinc/18/16/77/289181677.db2.gz MDABXNWBMRXPJC-GXFFZTMASA-N 0 3 294.399 2.396 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C\c2cnc(C)s2)C1 ZINC000254992732 289256787 /nfs/dbraw/zinc/25/67/87/289256787.db2.gz VAZPZDLUZQMTQG-ZHRWSRJISA-N 0 3 279.409 2.065 10 0 CEAEHN COC[C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000103428391 292992135 /nfs/dbraw/zinc/99/21/35/292992135.db2.gz FUADFJVLHPGQGM-GOEBONIOSA-N 0 3 290.407 2.222 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C ZINC000282177008 295109947 /nfs/dbraw/zinc/10/99/47/295109947.db2.gz FISPVIMJFAZUJB-SGMGOOAPSA-N 0 3 276.380 2.321 10 0 CEAEHN C[C@@H](NCC1CC(O)C1)c1ccc(Br)cn1 ZINC000528018606 297778410 /nfs/dbraw/zinc/77/84/10/297778410.db2.gz NBYNWRORMLRQRW-FKTRJACZSA-N 0 3 285.185 2.266 10 0 CEAEHN CC[C@@H](CSC)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000181059707 312779668 /nfs/dbraw/zinc/77/96/68/312779668.db2.gz DJTKPYCFDDSJPF-QWHCGFSZSA-N 0 3 289.489 2.404 10 0 CEAEHN CCC[C@@H](C(=O)NCCCCOC(C)C)N(C)C ZINC000183341981 321715719 /nfs/dbraw/zinc/71/57/19/321715719.db2.gz ATSZHCBQWXCFAD-ZDUSSCGKSA-N 0 3 258.406 2.038 10 0 CEAEHN CCOC(=O)[C@]12CCO[C@@H]1CCN(Cc1ccccc1)C2 ZINC000536956974 330383423 /nfs/dbraw/zinc/38/34/23/330383423.db2.gz BDWBZNRNEVGYGS-WBVHZDCISA-N 0 3 289.375 2.231 10 0 CEAEHN CC1CCN([C@@H]2CNC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536961278 330384338 /nfs/dbraw/zinc/38/43/38/330384338.db2.gz YSCMBBGJKBYAOV-KGLIPLIRSA-N 0 3 282.428 2.038 10 0 CEAEHN c1ccc(CN2C[C@@H]3CCN(c4cccnc4)C[C@@H]3C2)nc1 ZINC000253596179 333185701 /nfs/dbraw/zinc/18/57/01/333185701.db2.gz OEFKMRUZQSFEIH-HOTGVXAUSA-N 0 3 294.402 2.435 10 0 CEAEHN CC(C)NCc1ccoc1CN1CCOCC1(C)C ZINC000052546081 519727819 /nfs/dbraw/zinc/72/78/19/519727819.db2.gz WIKYKVIWWSWFFQ-UHFFFAOYSA-N 0 3 266.385 2.388 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@@H](CN2CCC(O)CC2)C1 ZINC000054558830 519801828 /nfs/dbraw/zinc/80/18/28/519801828.db2.gz XWVBRSCMCZDRCT-CHWSQXEVSA-N 0 3 253.386 2.085 10 0 CEAEHN CCCNCc1occc1CN1C[C@@H](C)OC[C@@H]1C ZINC000052476456 519973053 /nfs/dbraw/zinc/97/30/53/519973053.db2.gz TUCBKWAMNHTDPI-QWHCGFSZSA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1cc(CN2CC[C@H](C)C[C@@H]2C)on1 ZINC000052510029 519991847 /nfs/dbraw/zinc/99/18/47/519991847.db2.gz IBQSONXBNDMJCK-RYUDHWBXSA-N 0 3 251.374 2.405 10 0 CEAEHN CCNCc1coc(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000052540282 520018644 /nfs/dbraw/zinc/01/86/44/520018644.db2.gz BJVUOUOUSSGJIN-LSDHHAIUSA-N 0 3 264.369 2.142 10 0 CEAEHN CCN[C@H](Cc1ccccc1OC)c1ccnn1C ZINC000069467565 520202748 /nfs/dbraw/zinc/20/27/48/520202748.db2.gz ISQBNNOIYACWAA-CYBMUJFWSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@](CSCc1ccccc1)(C(N)=O)C1CC1 ZINC000069185902 520253219 /nfs/dbraw/zinc/25/32/19/520253219.db2.gz RBMKTYDRVFDZRE-HNNXBMFYSA-N 0 3 278.421 2.163 10 0 CEAEHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H](C)C2CCCC2)C1(C)C ZINC000157293939 520393162 /nfs/dbraw/zinc/39/31/62/520393162.db2.gz LHLLRKHGPSPVAB-NORZTCDRSA-N 0 3 282.428 2.214 10 0 CEAEHN CCOC(=O)[C@@](CN1[C@@H](C)CCC[C@@H]1C)(NC)C1CC1 ZINC000069096139 521166157 /nfs/dbraw/zinc/16/61/57/521166157.db2.gz PXRBAFLYZROTOH-XEZPLFJOSA-N 0 3 282.428 2.181 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1ccc(F)cc1C=O ZINC000061644964 521874060 /nfs/dbraw/zinc/87/40/60/521874060.db2.gz SWGGUSFXJNMBQI-CYBMUJFWSA-N 0 3 250.317 2.169 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1nonc1C ZINC000070261461 522333393 /nfs/dbraw/zinc/33/33/93/522333393.db2.gz BBOPRYYGAVYIMF-QMMMGPOBSA-N 0 3 265.288 2.377 10 0 CEAEHN CCc1nc(N(C)[C@H]2CCSC2)sc1CN ZINC000054996977 522380989 /nfs/dbraw/zinc/38/09/89/522380989.db2.gz DLEFRUSRXALSDM-QMMMGPOBSA-N 0 3 257.428 2.106 10 0 CEAEHN CN[C@H](C)c1cnc(N2CCC(OC)CC2)s1 ZINC000054903186 522454995 /nfs/dbraw/zinc/45/49/95/522454995.db2.gz GEKDRRKFRXPLHZ-SECBINFHSA-N 0 3 255.387 2.039 10 0 CEAEHN COc1cc(F)c([C@@H](N)C2CCOCC2)c(F)c1 ZINC000061672157 522584411 /nfs/dbraw/zinc/58/44/11/522584411.db2.gz FMPMVUZKHXTXJL-ZDUSSCGKSA-N 0 3 257.280 2.400 10 0 CEAEHN CC(C)(C)N1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069181418 518712828 /nfs/dbraw/zinc/71/28/28/518712828.db2.gz INPBBOVVSGAFAL-UHFFFAOYSA-N 0 3 294.468 2.400 10 0 CEAEHN CC(C)C[C@H](N[C@H](C)Cc1ccco1)C(=O)N(C)C ZINC000062769977 519397388 /nfs/dbraw/zinc/39/73/88/519397388.db2.gz QBOBWBKMXUHFNF-OCCSQVGLSA-N 0 3 266.385 2.303 10 0 CEAEHN CC(C)Cn1ccnc(NCCN(C(C)C)C(C)C)c1=O ZINC000061762079 519519709 /nfs/dbraw/zinc/51/97/09/519519709.db2.gz LHIWPYWAIQDKQO-UHFFFAOYSA-N 0 3 294.443 2.430 10 0 CEAEHN CC(C)N1CCO[C@H](CN)[C@@H]1c1c(F)cccc1F ZINC000070288668 519685738 /nfs/dbraw/zinc/68/57/38/519685738.db2.gz KOSWCIJPOBAPGY-TZMCWYRMSA-N 0 3 270.323 2.074 10 0 CEAEHN CC(C)NC(=O)CCOc1cc(F)ccc1[C@@H](C)N ZINC000062745472 519704203 /nfs/dbraw/zinc/70/42/03/519704203.db2.gz YOSLSNICEDSQNX-SNVBAGLBSA-N 0 3 268.332 2.139 10 0 CEAEHN CC(C)NCc1ccccc1OC[C@H](O)C(F)(F)F ZINC000068875953 519728040 /nfs/dbraw/zinc/72/80/40/519728040.db2.gz VCKOVAZQKDIURW-LBPRGKRZSA-N 0 3 277.286 2.487 10 0 CEAEHN CC(C)CN1CCN(c2cc(F)ccc2N)CC1 ZINC000055085644 519728317 /nfs/dbraw/zinc/72/83/17/519728317.db2.gz CRVPRNYGXJUTPN-UHFFFAOYSA-N 0 3 251.349 2.186 10 0 CEAEHN CC(C)CN1CCN(c2ccc(N)cc2F)CC1 ZINC000055085593 519729148 /nfs/dbraw/zinc/72/91/48/519729148.db2.gz MPNJGVLITXVUOB-UHFFFAOYSA-N 0 3 251.349 2.186 10 0 CEAEHN CC(C)N[C@@](C)(C[C@H](C)Oc1ccccc1F)C(N)=O ZINC000068655864 519737142 /nfs/dbraw/zinc/73/71/42/519737142.db2.gz FOXXLFDRVGCZKX-NHYWBVRUSA-N 0 3 282.359 2.225 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(N)cn1C(C)C ZINC000049550986 519775585 /nfs/dbraw/zinc/77/55/85/519775585.db2.gz LBDXFMZVVWZLAJ-AWEZNQCLSA-N 0 3 294.443 2.357 10 0 CEAEHN CC(C)Oc1cccc([C@@H](CN)N2CCCOCC2)c1 ZINC000061916502 519783587 /nfs/dbraw/zinc/78/35/87/519783587.db2.gz LQDLUVWGVXNCNK-MRXNPFEDSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCC1CCN(CC[C@H](NC(C)C)C(=O)OC)CC1 ZINC000062531169 519901483 /nfs/dbraw/zinc/90/14/83/519901483.db2.gz KWLFWKRMXWNTPH-HNNXBMFYSA-N 0 3 284.444 2.428 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000061292199 519907591 /nfs/dbraw/zinc/90/75/91/519907591.db2.gz WYOXQZJBPVMCCN-UHFFFAOYSA-N 0 3 293.392 2.057 10 0 CEAEHN CCNCc1c(C)nn([C@H]2CCCC[C@@H]2O)c1C ZINC000054599982 519985431 /nfs/dbraw/zinc/98/54/31/519985431.db2.gz BQPHHUWEWZGBRY-KBPBESRZSA-N 0 3 251.374 2.085 10 0 CEAEHN CC[NH2+]Cc1cc(=O)[n-]c(C(C)(C)c2ccc(F)cc2)n1 ZINC000069399647 519985756 /nfs/dbraw/zinc/98/57/56/519985756.db2.gz SNAOMPRZHLNZBD-UHFFFAOYSA-N 0 3 289.354 2.344 10 0 CEAEHN CCCN[C@@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525117 519993902 /nfs/dbraw/zinc/99/39/02/519993902.db2.gz ASXWHLKLDCKORI-RUXDESIVSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@@H](CC[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525117 519993910 /nfs/dbraw/zinc/99/39/10/519993910.db2.gz ASXWHLKLDCKORI-RUXDESIVSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC[NH2+][C@@H](CCN(C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525117 519993918 /nfs/dbraw/zinc/99/39/18/519993918.db2.gz ASXWHLKLDCKORI-RUXDESIVSA-N 0 3 270.417 2.340 10 0 CEAEHN CCNCc1cccc(OCC)c1OCCC(=O)OC ZINC000069317004 520006213 /nfs/dbraw/zinc/00/62/13/520006213.db2.gz KTDFLQGBWANRDN-UHFFFAOYSA-N 0 3 281.352 2.137 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1OC)[C@H]1COCCO1 ZINC000055300539 520017266 /nfs/dbraw/zinc/01/72/66/520017266.db2.gz JRVMEAPNJLPIEN-CVEARBPZSA-N 0 3 295.379 2.160 10 0 CEAEHN CCCN[C@@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1COCCO1 ZINC000055300723 520018508 /nfs/dbraw/zinc/01/85/08/520018508.db2.gz XIOYMDSPUHWMAY-ZLIFDBKOSA-N 0 3 291.391 2.466 10 0 CEAEHN CCNCc1coc(CN(C)CC(F)(F)F)c1 ZINC000052483338 520018547 /nfs/dbraw/zinc/01/85/47/520018547.db2.gz KMZUAXXXLKSVPJ-UHFFFAOYSA-N 0 3 250.264 2.383 10 0 CEAEHN CCNCc1nc(C(C)C)ncc1N1CCO[C@@H](CC)C1 ZINC000051444736 520019938 /nfs/dbraw/zinc/01/99/38/520019938.db2.gz IBUUYPPIVLWDBM-ZDUSSCGKSA-N 0 3 292.427 2.325 10 0 CEAEHN CCNCc1oc(CN2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000052381011 520028457 /nfs/dbraw/zinc/02/84/57/520028457.db2.gz WVQSFBCRVCCIKH-STQMWFEESA-N 0 3 266.385 2.307 10 0 CEAEHN CCCN[C@H]1c2ccccc2CCC[C@H]1S(C)(=O)=O ZINC000054930497 520097505 /nfs/dbraw/zinc/09/75/05/520097505.db2.gz ANDOLBPEKNIJNJ-CABCVRRESA-N 0 3 281.421 2.477 10 0 CEAEHN CCOC[C@@H](O)COc1ccc(Cl)cc1[C@H](C)NC ZINC000069275809 520107147 /nfs/dbraw/zinc/10/71/47/520107147.db2.gz RVRKBAYDCGAVHU-CMPLNLGQSA-N 0 3 287.787 2.397 10 0 CEAEHN CCN[C@@H]1CCN([C@@H]2CCCc3sccc32)C1=O ZINC000061363715 520119901 /nfs/dbraw/zinc/11/99/01/520119901.db2.gz JZVZKPSCCLMESQ-VXGBXAGGSA-N 0 3 264.394 2.336 10 0 CEAEHN CCCN[C@](COc1cccc(C)c1C)(C(N)=O)C1CC1 ZINC000069197074 520124175 /nfs/dbraw/zinc/12/41/75/520124175.db2.gz SDDCPOWTKMQXEA-KRWDZBQOSA-N 0 3 290.407 2.316 10 0 CEAEHN CCN[C@@](C)(CCN1CCCC(C)(C)C1)C(=O)OCC ZINC000069516399 520132978 /nfs/dbraw/zinc/13/29/78/520132978.db2.gz QHSKEFCDOXYRDW-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCCCN(C)C[C@](NCC)(C(=O)OC)C1CC1 ZINC000069098478 520152412 /nfs/dbraw/zinc/15/24/12/520152412.db2.gz QWIQUQKGQNFVQN-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@](COc1c(C)cc(C)cc1C)(C(N)=O)C1CC1 ZINC000069194549 520156535 /nfs/dbraw/zinc/15/65/35/520156535.db2.gz ZLQFERPJRSKSKZ-QGZVFWFLSA-N 0 3 290.407 2.234 10 0 CEAEHN CCN[C@@](CSC1CCCCC1)(C(N)=O)C1CC1 ZINC000069188460 520158985 /nfs/dbraw/zinc/15/89/85/520158985.db2.gz RKXWFKKDPNSIGK-CQSZACIVSA-N 0 3 270.442 2.296 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1cc2ccccc2o1 ZINC000052885551 520196579 /nfs/dbraw/zinc/19/65/79/520196579.db2.gz JBHUUHLXZUILGY-CYBMUJFWSA-N 0 3 287.363 2.451 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)NC(=O)CO2)[C@H]1CCCCO1 ZINC000050962258 520210527 /nfs/dbraw/zinc/21/05/27/520210527.db2.gz CPTJJHCBMRGFEQ-GDBMZVCRSA-N 0 3 290.363 2.237 10 0 CEAEHN CCN[C@](CSc1ccccc1F)(C(N)=O)C1CC1 ZINC000069186326 520252760 /nfs/dbraw/zinc/25/27/60/520252760.db2.gz COHLKQGOZCSMTK-AWEZNQCLSA-N 0 3 282.384 2.161 10 0 CEAEHN CCNc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000061656056 520283041 /nfs/dbraw/zinc/28/30/41/520283041.db2.gz GRHLPKZBVBQISF-HNNXBMFYSA-N 0 3 275.396 2.285 10 0 CEAEHN CCNc1ccccc1C(=O)N[C@H](CN(C)C)C(C)C ZINC000050779764 520339926 /nfs/dbraw/zinc/33/99/26/520339926.db2.gz CMPFOIAESJHFEC-OAHLLOKOSA-N 0 3 277.412 2.434 10 0 CEAEHN CCCCN(Cc1ccnc(C(N)=S)c1)C1CC1 ZINC000068752291 520549629 /nfs/dbraw/zinc/54/96/29/520549629.db2.gz WOPNSNQOCSRLJR-UHFFFAOYSA-N 0 3 263.410 2.480 10 0 CEAEHN CCOC(=O)CCNCc1cc(F)c(F)c(F)c1 ZINC000062708696 520687091 /nfs/dbraw/zinc/68/70/91/520687091.db2.gz KMGULDBSQGSAJV-UHFFFAOYSA-N 0 3 261.243 2.147 10 0 CEAEHN CC1CCN(Cc2nc(NN)ccc2Cl)CC1 ZINC000061638901 521025683 /nfs/dbraw/zinc/02/56/83/521025683.db2.gz AOIUMGZROMDGCX-UHFFFAOYSA-N 0 3 254.765 2.253 10 0 CEAEHN CCC[C@H](N)C(=O)NCC1(c2ccccc2C)CC1 ZINC000157955963 521111154 /nfs/dbraw/zinc/11/11/54/521111154.db2.gz OQDQXCOPEDWSLN-AWEZNQCLSA-N 0 3 260.381 2.270 10 0 CEAEHN CCN(CCn1cc(N)cn1)Cc1ccccc1C ZINC000050614727 521184107 /nfs/dbraw/zinc/18/41/07/521184107.db2.gz YLLCJBBSKKWGIY-UHFFFAOYSA-N 0 3 258.369 2.296 10 0 CEAEHN CCOc1ccc([C@@H](COC)NC)cc1OCC ZINC000055226209 521228912 /nfs/dbraw/zinc/22/89/12/521228912.db2.gz ZNCMBIJZXXZBHW-GFCCVEGCSA-N 0 3 253.342 2.391 10 0 CEAEHN CCC(C)(C)N(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000069442567 521294965 /nfs/dbraw/zinc/29/49/65/521294965.db2.gz GZTNVNAJWWLPNZ-AWEZNQCLSA-N 0 3 262.397 2.451 10 0 CEAEHN CCOc1cccc(CNC(C)(C)C)c1O[C@@H](C)C(N)=O ZINC000062732679 521358836 /nfs/dbraw/zinc/35/88/36/521358836.db2.gz HINDIGPFZPHCII-NSHDSACASA-N 0 3 294.395 2.226 10 0 CEAEHN CCCC1N=NC(=S)N1[C@@H](CN(C)C)C(C)C ZINC000049219749 521570052 /nfs/dbraw/zinc/57/00/52/521570052.db2.gz WTJWHYSAUCPZNW-JTQLQIEISA-N 0 3 256.419 2.278 10 0 CEAEHN CCOC1CCN(Cc2cc(CNC)oc2C)CC1 ZINC000052484103 521656346 /nfs/dbraw/zinc/65/63/46/521656346.db2.gz FEBFNKLZEHIVJF-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN COCC[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000052790836 521826512 /nfs/dbraw/zinc/82/65/12/521826512.db2.gz ACSXTYLPHRROFJ-SNVBAGLBSA-N 0 3 276.258 2.008 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CCC(=O)c1ccccc1F ZINC000061653399 521836673 /nfs/dbraw/zinc/83/66/73/521836673.db2.gz KGCYHPKVWSOXKR-ZDUSSCGKSA-N 0 3 278.371 2.425 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000061300790 521940758 /nfs/dbraw/zinc/94/07/58/521940758.db2.gz KQHZPRQAIBEREP-UHFFFAOYSA-N 0 3 270.716 2.005 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000061300656 521941768 /nfs/dbraw/zinc/94/17/68/521941768.db2.gz KOWDQYBXKVKPMT-UHFFFAOYSA-N 0 3 284.743 2.063 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000061300824 521943055 /nfs/dbraw/zinc/94/30/55/521943055.db2.gz BXXZVGBSTLNCIY-UHFFFAOYSA-N 0 3 283.759 2.235 10 0 CEAEHN COCC[C@H](N)c1nc2cccc(Cl)c2n1C ZINC000052785270 521950618 /nfs/dbraw/zinc/95/06/18/521950618.db2.gz GJTOOKBTIRGDGH-VIFPVBQESA-N 0 3 253.733 2.263 10 0 CEAEHN CNCc1cccc(O[C@H]2CCC[C@@H](OC)C2)n1 ZINC000070335168 522134034 /nfs/dbraw/zinc/13/40/34/522134034.db2.gz YVZAGLRWZLDOAU-OLZOCXBDSA-N 0 3 250.342 2.137 10 0 CEAEHN CNCc1ccccc1NC(=O)c1cccnc1OC ZINC000061445194 522136635 /nfs/dbraw/zinc/13/66/35/522136635.db2.gz TYQMIKTVYBKIQB-UHFFFAOYSA-N 0 3 271.320 2.062 10 0 CEAEHN CNCc1cnc(N2CCN(CC(C)C)CC2)c(Cl)c1 ZINC000055082493 522146360 /nfs/dbraw/zinc/14/63/60/522146360.db2.gz RVVSHFCOPADJCR-UHFFFAOYSA-N 0 3 296.846 2.232 10 0 CEAEHN CNCc1sc(N2CCO[C@@H](C)C2)nc1C(C)(C)C ZINC000054995723 522167004 /nfs/dbraw/zinc/16/70/04/522167004.db2.gz LPPMKUZPEPQLOH-JTQLQIEISA-N 0 3 283.441 2.385 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 ZINC000154325840 522303569 /nfs/dbraw/zinc/30/35/69/522303569.db2.gz PUIDORVQANVJIO-NOZJJQNGSA-N 0 3 287.367 2.092 10 0 CEAEHN CN[C@@H](C)c1c(C)nn(CC2CCOCC2)c1C ZINC000054717933 522329777 /nfs/dbraw/zinc/32/97/77/522329777.db2.gz YFQHMZWJQRZWDX-JTQLQIEISA-N 0 3 251.374 2.207 10 0 CEAEHN CN[C@@H](c1ccnn1C)c1ccc2ncccc2c1 ZINC000069468107 522371437 /nfs/dbraw/zinc/37/14/37/522371437.db2.gz NANIACJWRLWJSL-OAHLLOKOSA-N 0 3 252.321 2.277 10 0 CEAEHN CC[C@@H](C)c1ccccc1OCC[C@H](NC)C(N)=O ZINC000062551081 522435718 /nfs/dbraw/zinc/43/57/18/522435718.db2.gz RNASOCXZEGKPHM-YPMHNXCESA-N 0 3 264.369 2.042 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@H]1CCCCNC1=O ZINC000062746627 522446175 /nfs/dbraw/zinc/44/61/75/522446175.db2.gz WGZIWOPPRQZDPF-MFKMUULPSA-N 0 3 280.343 2.154 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1nc(C)no1 ZINC000062746218 522447672 /nfs/dbraw/zinc/44/76/72/522447672.db2.gz IXKAZXSRCVQBJQ-MRVPVSSYSA-N 0 3 265.288 2.377 10 0 CEAEHN CN[C@H](c1cc2c(cc1F)NC(=O)CC2)C1CCOCC1 ZINC000061671767 522477089 /nfs/dbraw/zinc/47/70/89/522477089.db2.gz IEMVEFDYVNOJRI-INIZCTEOSA-N 0 3 292.354 2.398 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CC(C)(C)O2)[C@H]1COCCO1 ZINC000055301488 522483238 /nfs/dbraw/zinc/48/32/38/522483238.db2.gz UWZXVLBTMLFEAY-HUUCEWRRSA-N 0 3 277.364 2.076 10 0 CEAEHN CNc1nc2ccccc2cc1CN1CCC(CO)CC1 ZINC000050791828 522689283 /nfs/dbraw/zinc/68/92/83/522689283.db2.gz HGAFCPUQSVNXLZ-UHFFFAOYSA-N 0 3 285.391 2.481 10 0 CEAEHN COC1CCN([C@@H](CN)c2ccc(F)c(C)c2)CC1 ZINC000050546030 522706399 /nfs/dbraw/zinc/70/63/99/522706399.db2.gz UBPDOFQMPPJRHS-HNNXBMFYSA-N 0 3 266.360 2.245 10 0 CEAEHN C[N@@H+](CC[C@@H](NC1CC1)C(=O)[O-])C1CCCCCC1 ZINC000062451283 522927519 /nfs/dbraw/zinc/92/75/19/522927519.db2.gz KAIOTIVPZVFYRA-CQSZACIVSA-N 0 3 268.401 2.236 10 0 CEAEHN C[N@H+](CC[C@@H](NC1CC1)C(=O)[O-])C1CCCCCC1 ZINC000062451283 522927511 /nfs/dbraw/zinc/92/75/11/522927511.db2.gz KAIOTIVPZVFYRA-CQSZACIVSA-N 0 3 268.401 2.236 10 0 CEAEHN CN(CCn1cc(N)cn1)Cc1cccc(Cl)c1 ZINC000050614770 522999537 /nfs/dbraw/zinc/99/95/37/522999537.db2.gz KPFOCONBANEOJO-UHFFFAOYSA-N 0 3 264.760 2.251 10 0 CEAEHN COCCCN(CCOC)c1ccc(Cl)cc1CN ZINC000052857340 523261890 /nfs/dbraw/zinc/26/18/90/523261890.db2.gz MXUNSVRJEHASTA-UHFFFAOYSA-N 0 3 286.803 2.288 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1Cc1cc(C)c(CN)o1 ZINC000052571052 523352180 /nfs/dbraw/zinc/35/21/80/523352180.db2.gz ZUZDWXQIIPBKFR-NEPJUHHUSA-N 0 3 252.358 2.046 10 0 CEAEHN CCn1cc(Cn2nc(C)c([C@H](C)NC)c2C)cn1 ZINC000054717912 523400179 /nfs/dbraw/zinc/40/01/79/523400179.db2.gz FZFMVVZJXIUMCF-JTQLQIEISA-N 0 3 261.373 2.045 10 0 CEAEHN CC[C@@H]1CN(c2ccccc2CNCCOC)CCO1 ZINC000062735931 523470369 /nfs/dbraw/zinc/47/03/69/523470369.db2.gz APWNJKIIQGQJIY-OAHLLOKOSA-N 0 3 278.396 2.038 10 0 CEAEHN CCn1ccnc1NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000050608527 523550303 /nfs/dbraw/zinc/55/03/03/523550303.db2.gz XQHUBTPDJJWIOF-SNVBAGLBSA-N 0 3 276.306 2.199 10 0 CEAEHN COCCN(C)Cc1csc(CNC(C)(C)C)n1 ZINC000052572737 523623139 /nfs/dbraw/zinc/62/31/39/523623139.db2.gz HNUIDBFCXODZDL-UHFFFAOYSA-N 0 3 271.430 2.109 10 0 CEAEHN COCCN(C)CCn1ccc2c1CC(C)(C)C[C@H]2O ZINC000061380790 523619775 /nfs/dbraw/zinc/61/97/75/523619775.db2.gz AIVRDGKEKGEWGB-OAHLLOKOSA-N 0 3 280.412 2.072 10 0 CEAEHN CN1CCC(Oc2cc(Cl)ccc2C(N)=S)CC1 ZINC000062788715 523781651 /nfs/dbraw/zinc/78/16/51/523781651.db2.gz SRTYYALPKNODRX-UHFFFAOYSA-N 0 3 284.812 2.447 10 0 CEAEHN CN1CCCC[C@H]1CNC(=O)c1cccc2c1NCCC2 ZINC000050958110 523797478 /nfs/dbraw/zinc/79/74/78/523797478.db2.gz BNFCFQOPXFNERV-AWEZNQCLSA-N 0 3 287.407 2.259 10 0 CEAEHN COC(=O)[C@H](CCN1CCC(C(C)(C)C)CC1)NC1CC1 ZINC000062530672 523898073 /nfs/dbraw/zinc/89/80/73/523898073.db2.gz JZEWNYRGCXEDAK-HNNXBMFYSA-N 0 3 296.455 2.428 10 0 CEAEHN COCCNCc1cc(F)ccc1N1CC[C@H](C)C1 ZINC000062736642 523950484 /nfs/dbraw/zinc/95/04/84/523950484.db2.gz JNFHZPGQUPMGAT-LBPRGKRZSA-N 0 3 266.360 2.408 10 0 CEAEHN COCCNCc1cc(OC)ccc1OCCOC(C)C ZINC000062727769 523950627 /nfs/dbraw/zinc/95/06/27/523950627.db2.gz GWWGDAFDNAAKIS-UHFFFAOYSA-N 0 3 297.395 2.235 10 0 CEAEHN COC(=O)[C@](C)(N)CCCCN1Cc2ccccc2C1 ZINC000050912337 524001726 /nfs/dbraw/zinc/00/17/26/524001726.db2.gz JZKZQWYDAGPBLG-MRXNPFEDSA-N 0 3 276.380 2.063 10 0 CEAEHN CNC(=O)CCCOc1c(CNC(C)C)cccc1OC ZINC000068816428 524065271 /nfs/dbraw/zinc/06/52/71/524065271.db2.gz XDULBXUCMFBFLZ-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN COc1ccc(CNC(C)(C)C)c(OC[C@H](C)O)c1 ZINC000062733116 524068834 /nfs/dbraw/zinc/06/88/34/524068834.db2.gz CVRIWPKXOHYINT-NSHDSACASA-N 0 3 267.369 2.343 10 0 CEAEHN Cc1ccc(C)c(NS(=O)(=O)C[C@H]2CCCCN2)c1 ZINC000049630907 524160986 /nfs/dbraw/zinc/16/09/86/524160986.db2.gz ZHZHSNFCSVIZGW-CYBMUJFWSA-N 0 3 282.409 2.187 10 0 CEAEHN Cc1ccc(C)c(OC[C@@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069197294 524181548 /nfs/dbraw/zinc/18/15/48/524181548.db2.gz PYGJNCWTRFPASM-KRWDZBQOSA-N 0 3 290.407 2.314 10 0 CEAEHN COc1ccc(Cl)cc1[C@]([O-])([C@H](C)[NH3+])C(F)(F)F ZINC000062784393 524256194 /nfs/dbraw/zinc/25/61/94/524256194.db2.gz ZQTSTTNCTGQJAO-QUBYGPBYSA-N 0 3 283.677 2.446 10 0 CEAEHN Cc1cc(C)c([C@H](N)Cn2nc(C)ccc2=O)c(C)c1 ZINC000061810469 524336280 /nfs/dbraw/zinc/33/62/80/524336280.db2.gz LQYADDOORSABEL-CQSZACIVSA-N 0 3 271.364 2.177 10 0 CEAEHN C[C@@H]1CCC[C@H](C)N1Cc1cccnc1C(N)=S ZINC000061659670 524362300 /nfs/dbraw/zinc/36/23/00/524362300.db2.gz CHWIPGYNMNMFNC-PHIMTYICSA-N 0 3 263.410 2.479 10 0 CEAEHN Cc1cc(C)cc(O[C@H](C)C[C@](C)(NC2CC2)C(N)=O)c1 ZINC000068656130 524455800 /nfs/dbraw/zinc/45/58/00/524455800.db2.gz BPVYTFSKPWEWNY-DYVFJYSZSA-N 0 3 290.407 2.457 10 0 CEAEHN Cc1cccc(CSC[C@](C)(NC(C)C)C(N)=O)c1 ZINC000054966390 524461078 /nfs/dbraw/zinc/46/10/78/524461078.db2.gz CJLDHJSGGMGBHQ-HNNXBMFYSA-N 0 3 280.437 2.470 10 0 CEAEHN COc1ccc(NC(=O)CNC2CCCC2)c(C)c1 ZINC000061568199 524496730 /nfs/dbraw/zinc/49/67/30/524496730.db2.gz MRNVXSFVWWKYBA-UHFFFAOYSA-N 0 3 262.353 2.474 10 0 CEAEHN Cc1cc(C)nc(N[C@H](CC(C)C)CN(C)C)n1 ZINC000049558174 524594281 /nfs/dbraw/zinc/59/42/81/524594281.db2.gz MDKKJHSLVMAZQQ-CYBMUJFWSA-N 0 3 250.390 2.482 10 0 CEAEHN C[C@@H](CN1CCCCC1)Nc1ccc(C(N)=S)cn1 ZINC000049502468 524606705 /nfs/dbraw/zinc/60/67/05/524606705.db2.gz AYECQNODVHOWPT-NSHDSACASA-N 0 3 278.425 2.002 10 0 CEAEHN C[C@H](C[C@@](C)([NH2+]C1CC1)C(=O)[O-])N1CCCC(C)(C)C1 ZINC000068647795 524629918 /nfs/dbraw/zinc/62/99/18/524629918.db2.gz HHMDSXLAGXMBSB-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@@H+]1CCCC(C)(C)C1 ZINC000068647795 524629928 /nfs/dbraw/zinc/62/99/28/524629928.db2.gz HHMDSXLAGXMBSB-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@H+]1CCCC(C)(C)C1 ZINC000068647795 524629935 /nfs/dbraw/zinc/62/99/35/524629935.db2.gz HHMDSXLAGXMBSB-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H]1CN(Cc2oc3ccccc3c2CN)CCO1 ZINC000052382568 524652887 /nfs/dbraw/zinc/65/28/87/524652887.db2.gz RNTIQMRIHKVWFS-NSHDSACASA-N 0 3 260.337 2.112 10 0 CEAEHN Cc1cc(CO)ccc1N1CCN(CC(C)C)CC1 ZINC000055080052 524793851 /nfs/dbraw/zinc/79/38/51/524793851.db2.gz IRCIQOJWSUUKJO-UHFFFAOYSA-N 0 3 262.397 2.265 10 0 CEAEHN C[C@H]([NH3+])[C@@]([O-])(c1ccc(F)cc1F)C(F)(F)F ZINC000062784605 524847304 /nfs/dbraw/zinc/84/73/04/524847304.db2.gz LQQWFUMLTZZKFW-SSDLBLMSSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(N)=O)Oc1ccc(F)c(F)c1 ZINC000068657721 524863469 /nfs/dbraw/zinc/86/34/69/524863469.db2.gz MSPROTYQKUGWCR-VFZGTOFNSA-N 0 3 298.333 2.118 10 0 CEAEHN C[C@H](N)c1cnc(N(C)C[C@@H]2CCCCO2)s1 ZINC000054896726 524867812 /nfs/dbraw/zinc/86/78/12/524867812.db2.gz FTBJFYBNOYVYIP-UWVGGRQHSA-N 0 3 255.387 2.168 10 0 CEAEHN C[C@@H](Cc1ccco1)NC(=O)Nc1cccc(CN)c1 ZINC000049147541 524925451 /nfs/dbraw/zinc/92/54/51/524925451.db2.gz CZIYNBHNQTXXME-NSHDSACASA-N 0 3 273.336 2.491 10 0 CEAEHN C[C@@H](Cc1ccco1)N[C@@H]1CCCc2c1cnn2CCO ZINC000062771683 524928222 /nfs/dbraw/zinc/92/82/22/524928222.db2.gz ACBUKPVHVPNUHA-SWLSCSKDSA-N 0 3 289.379 2.067 10 0 CEAEHN COc1ccc(OC[C@@H](C)C(N)=O)c(CNC(C)(C)C)c1 ZINC000062727534 524966395 /nfs/dbraw/zinc/96/63/95/524966395.db2.gz QQUAXHAXEFJVTB-LLVKDONJSA-N 0 3 294.395 2.084 10 0 CEAEHN C[C@@H](N)c1cc(Cl)ccc1OCc1ncon1 ZINC000050209399 525024922 /nfs/dbraw/zinc/02/49/22/525024922.db2.gz FCIMPONVTWHFTB-SSDOTTSWSA-N 0 3 253.689 2.322 10 0 CEAEHN Cc1ccccc1C(=O)CN1CCC[C@H]1CN(C)C ZINC000061645737 525042188 /nfs/dbraw/zinc/04/21/88/525042188.db2.gz BQVUDGUZSWLCNI-AWEZNQCLSA-N 0 3 260.381 2.204 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc(OC(F)F)cc1 ZINC000069132682 525097246 /nfs/dbraw/zinc/09/72/46/525097246.db2.gz SAVBDVSODWKIKH-NXEZZACHSA-N 0 3 284.306 2.110 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cccc(Cl)c1 ZINC000069133077 525097614 /nfs/dbraw/zinc/09/76/14/525097614.db2.gz ZQPFXGANXNECEE-NXEZZACHSA-N 0 3 252.745 2.162 10 0 CEAEHN COc1ccc([C@@H](N)[C@H]2CCCCO2)c(OC)c1OC ZINC000050962779 525192517 /nfs/dbraw/zinc/19/25/17/525192517.db2.gz ARKWOVPVBKRYLO-DGCLKSJQSA-N 0 3 281.352 2.281 10 0 CEAEHN C[C@H](NCC(=O)Nc1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000183089769 525307030 /nfs/dbraw/zinc/30/70/30/525307030.db2.gz GNEHCNKQQWBMML-ZANVPECISA-N 0 3 284.306 2.060 10 0 CEAEHN C[C@]1(c2ccccc2)CN(CCCn2ccnc2)CCN1 ZINC000068693763 525329256 /nfs/dbraw/zinc/32/92/56/525329256.db2.gz ZXDAPWULPPZUEJ-QGZVFWFLSA-N 0 3 284.407 2.094 10 0 CEAEHN COc1ccc([C@H](N)Cc2ccncc2)c(OC)c1 ZINC000055232990 525363567 /nfs/dbraw/zinc/36/35/67/525363567.db2.gz CPFFLHUURCMQSF-CQSZACIVSA-N 0 3 258.321 2.341 10 0 CEAEHN Cc1ccc(OCCN(C)C[C@H](O)COC(C)(C)C)cc1 ZINC000052816465 525417526 /nfs/dbraw/zinc/41/75/26/525417526.db2.gz RDCZHYJHOVEJLM-HNNXBMFYSA-N 0 3 295.423 2.482 10 0 CEAEHN Cc1ccc(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)cc1C ZINC000068656036 525462109 /nfs/dbraw/zinc/46/21/09/525462109.db2.gz RGMJISFAUDGXJX-SUMWQHHRSA-N 0 3 290.407 2.457 10 0 CEAEHN C[C@@H]1C[C@H]1NCC(=O)Nc1ccccc1Br ZINC000052287699 525497225 /nfs/dbraw/zinc/49/72/25/525497225.db2.gz JWERSYKIOWUYKJ-LDYMZIIASA-N 0 3 283.169 2.386 10 0 CEAEHN C[C@@H]1Cc2ccccc2N1Cc1ccnc(C(=N)N)c1 ZINC000068760985 525535121 /nfs/dbraw/zinc/53/51/21/525535121.db2.gz JNQAHIDOGLZAPA-LLVKDONJSA-N 0 3 266.348 2.317 10 0 CEAEHN Cc1ccn(-c2ncc(CNC3CC3)cc2Cl)n1 ZINC000052885128 525570538 /nfs/dbraw/zinc/57/05/38/525570538.db2.gz NRXVEHYJWUSJGH-UHFFFAOYSA-N 0 3 262.744 2.481 10 0 CEAEHN C[C@H](N[C@H](c1cccs1)C1CC1)C(=O)N(C)C ZINC000049956688 525599840 /nfs/dbraw/zinc/59/98/40/525599840.db2.gz BKJLGKSFPPTYNG-CABZTGNLSA-N 0 3 252.383 2.266 10 0 CEAEHN Cc1ccnc(SCc2nc(NN)ccc2Cl)n1 ZINC000061640265 525709361 /nfs/dbraw/zinc/70/93/61/525709361.db2.gz WNBVTWZVUOMEQL-UHFFFAOYSA-N 0 3 281.772 2.411 10 0 CEAEHN Cc1ccc([C@@H](C)NC[C@@H](O)COCCOC(C)C)cc1 ZINC000049556584 525729022 /nfs/dbraw/zinc/72/90/22/525729022.db2.gz SVUDPJMOMXFBQW-NVXWUHKLSA-N 0 3 295.423 2.448 10 0 CEAEHN C[C@@H]1c2ccsc2CCN1CC1(CO)CCOCC1 ZINC000052199535 525735954 /nfs/dbraw/zinc/73/59/54/525735954.db2.gz VECCCJGHOFPHKV-GFCCVEGCSA-N 0 3 281.421 2.456 10 0 CEAEHN Cc1ccc(-n2ncc(CN)c2-c2ccccc2)nn1 ZINC000049960990 525931788 /nfs/dbraw/zinc/93/17/88/525931788.db2.gz DXLSSVXRWLKVCE-UHFFFAOYSA-N 0 3 265.320 2.096 10 0 CEAEHN COc1cccc(CNC(C)C)c1OCc1nonc1C ZINC000070261324 526010583 /nfs/dbraw/zinc/01/05/83/526010583.db2.gz ZWWNEFCZNASJSC-UHFFFAOYSA-N 0 3 291.351 2.464 10 0 CEAEHN CSc1ccc([C@@H]2[C@H](N)CC(=O)N2C2CC2)cc1 ZINC000070293889 526065123 /nfs/dbraw/zinc/06/51/23/526065123.db2.gz SLLOHVMFDGEKSG-TZMCWYRMSA-N 0 3 262.378 2.172 10 0 CEAEHN Cc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c([O-])c1 ZINC000049560330 526210550 /nfs/dbraw/zinc/21/05/50/526210550.db2.gz HNZOUVBDKNDHLW-CYBMUJFWSA-N 0 3 278.396 2.407 10 0 CEAEHN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](CN)c1ccccc1 ZINC000061610858 526257606 /nfs/dbraw/zinc/25/76/06/526257606.db2.gz RZKSJSFWWIMEJZ-QEJZJMRPSA-N 0 3 260.381 2.424 10 0 CEAEHN Cc1cc(C(=O)N2[C@@H](C)CNC[C@@H]2C)c2ccccc2n1 ZINC000069133353 526263283 /nfs/dbraw/zinc/26/32/83/526263283.db2.gz HTJZINOSOCNWBO-STQMWFEESA-N 0 3 283.375 2.366 10 0 CEAEHN Cc1nc(C[C@@H]2CCCO2)sc1CNC1CC1 ZINC000052330862 526922032 /nfs/dbraw/zinc/92/20/32/526922032.db2.gz WIMVCHZVUSLYEH-NSHDSACASA-N 0 3 252.383 2.425 10 0 CEAEHN NC(=O)[C@@H](CCSc1cccc(Cl)c1)NC1CC1 ZINC000062603389 526953446 /nfs/dbraw/zinc/95/34/46/526953446.db2.gz IIRIDLPBOYFKOZ-GFCCVEGCSA-N 0 3 284.812 2.428 10 0 CEAEHN O=C(N[C@@H]1COc2ccccc21)c1ccc2c(c1)CNC2 ZINC000156770658 526962914 /nfs/dbraw/zinc/96/29/14/526962914.db2.gz JAZLCBRNGODYEA-OAHLLOKOSA-N 0 3 280.327 2.153 10 0 CEAEHN NCc1cc(CN2C(=O)CCc3cc(F)ccc32)ccn1 ZINC000068750998 527247527 /nfs/dbraw/zinc/24/75/27/527247527.db2.gz BMIDPIFGZKUGMP-UHFFFAOYSA-N 0 3 285.322 2.159 10 0 CEAEHN NN=c1[nH]cc(C(=O)NCc2ccccc2F)cc1Cl ZINC000051096625 527286885 /nfs/dbraw/zinc/28/68/85/527286885.db2.gz ISCCINZYNXPHML-UHFFFAOYSA-N 0 3 294.717 2.090 10 0 CEAEHN Cc1nccn1CCOc1cc(F)ccc1[C@@H](C)N ZINC000062745140 527433445 /nfs/dbraw/zinc/43/34/45/527433445.db2.gz MAICJIWALKFMPU-SNVBAGLBSA-N 0 3 263.316 2.429 10 0 CEAEHN Cn1ccnc1NCc1ccc(-c2cc[nH]n2)cc1 ZINC000050606246 527447946 /nfs/dbraw/zinc/44/79/46/527447946.db2.gz CIXFXTWWPBKBLH-UHFFFAOYSA-N 0 3 253.309 2.422 10 0 CEAEHN Nc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000061702164 527497261 /nfs/dbraw/zinc/49/72/61/527497261.db2.gz LRDZGDOCXPGUBO-HNNXBMFYSA-N 0 3 269.348 2.317 10 0 CEAEHN FC(F)(F)CN1CCN([C@H]2CNCc3ccccc32)CC1 ZINC000069267207 527667879 /nfs/dbraw/zinc/66/78/79/527667879.db2.gz YENYHMPRMFVFKQ-AWEZNQCLSA-N 0 3 299.340 2.011 10 0 CEAEHN CCCC1(CNC(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000177270982 528052930 /nfs/dbraw/zinc/05/29/30/528052930.db2.gz QVAVLIOHQZKAFI-CYBMUJFWSA-N 0 3 267.417 2.350 10 0 CEAEHN CCC[C@@H](C(=O)N1CCO[C@H](c2cccs2)C1)N(C)C ZINC000155003075 528839946 /nfs/dbraw/zinc/83/99/46/528839946.db2.gz BGRMHRIXUPAGFK-STQMWFEESA-N 0 3 296.436 2.378 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C2(CCOC)CCCC2)C1 ZINC000177541857 529087212 /nfs/dbraw/zinc/08/72/12/529087212.db2.gz DSJXHAAYCOLBLP-AWEZNQCLSA-N 0 3 282.428 2.184 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCC2(CC)CCC2)C1 ZINC000176440072 529089484 /nfs/dbraw/zinc/08/94/84/529089484.db2.gz XELQYGAQTTYTQT-ZDUSSCGKSA-N 0 3 267.417 2.350 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCc1ccoc1 ZINC000177331903 529095567 /nfs/dbraw/zinc/09/55/67/529095567.db2.gz MOBHDTIQXGDWDZ-AWEZNQCLSA-N 0 3 264.369 2.155 10 0 CEAEHN CC[C@]1(CO)CCCN(c2cc(N3CCCC3)cnn2)C1 ZINC000091793862 535950110 /nfs/dbraw/zinc/95/01/10/535950110.db2.gz RUSNKIJXSWSPCS-INIZCTEOSA-N 0 3 290.411 2.066 10 0 CEAEHN C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)[C@@H]1CCCO1 ZINC000119950021 538814529 /nfs/dbraw/zinc/81/45/29/538814529.db2.gz KKUQVVGZUZCUHH-NFAWXSAZSA-N 0 3 297.420 2.006 10 0 CEAEHN CC1(C)CN[C@]2(CCCSC2)O[C@@]12CCCOC2 ZINC000757147274 574510457 /nfs/dbraw/zinc/51/04/57/574510457.db2.gz SBIHPUJWQGFMDH-ZIAGYGMSSA-N 0 3 271.426 2.405 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)C[C@H](N)CC(C)(C)C)C1 ZINC000757152066 574510865 /nfs/dbraw/zinc/51/08/65/574510865.db2.gz SDAUWVPJNYEZQG-JHJVBQTASA-N 0 3 290.473 2.058 10 0 CEAEHN CCC(CC)[C@H](N)CS(=O)(=O)N1CCC(C)(C)CC1 ZINC000757154386 574511144 /nfs/dbraw/zinc/51/11/44/574511144.db2.gz XTZFRCVNUNFYEC-CYBMUJFWSA-N 0 3 290.473 2.202 10 0 CEAEHN CO[C@H](CN)c1sc(C)cc1Br ZINC000757166950 574511208 /nfs/dbraw/zinc/51/12/08/574511208.db2.gz LYTXQWRXRCSVOD-SSDOTTSWSA-N 0 3 250.161 2.465 10 0 CEAEHN CC[C@@H](CO)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757135262 574826565 /nfs/dbraw/zinc/82/65/65/574826565.db2.gz RUWVQULEBUGBIR-LBPRGKRZSA-N 0 3 295.383 2.053 10 0 CEAEHN O=C(c1ccc(F)cc1)[C@@H](O)CNCc1ccccc1 ZINC000669383350 570352898 /nfs/dbraw/zinc/35/28/98/570352898.db2.gz TYLCXHMKHOHZFI-HNNXBMFYSA-N 0 3 273.307 2.159 10 0 CEAEHN C[C@@H](O)CCN(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757132526 622801014 /nfs/dbraw/zinc/80/10/14/622801014.db2.gz BJHFXQJZXXAAFT-LLVKDONJSA-N 0 3 295.383 2.053 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000263531963 625205017 /nfs/dbraw/zinc/20/50/17/625205017.db2.gz WYLFBCNYGDEDSF-QDIHITRGSA-N 0 3 294.439 2.482 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000263531961 625205050 /nfs/dbraw/zinc/20/50/50/625205050.db2.gz WYLFBCNYGDEDSF-CKUJCDMFSA-N 0 3 294.439 2.482 10 0 CEAEHN CC(C)(C)c1csc(CNCC2CC(O)C2)n1 ZINC000094966242 628885866 /nfs/dbraw/zinc/88/58/66/628885866.db2.gz JIWKIGAMKJIOJX-UHFFFAOYSA-N 0 3 254.399 2.301 10 0 CEAEHN Cc1cnc([C@H](C)NC(=O)[C@@H](N)CC2CCCCC2)o1 ZINC000261778495 629190042 /nfs/dbraw/zinc/19/00/42/629190042.db2.gz PHXNXBFQIMWHNB-AAEUAGOBSA-N 0 3 279.384 2.458 10 0 CEAEHN CN(C[C@@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000252952563 641599405 /nfs/dbraw/zinc/59/94/05/641599405.db2.gz FUIHTMGBYKDELT-QWHCGFSZSA-N 0 3 289.297 2.460 10 0 CEAEHN COC[C@@H](C)C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183190183 641718029 /nfs/dbraw/zinc/71/80/29/641718029.db2.gz JYVRPFZBCKLWEG-ZBFHGGJFSA-N 0 3 291.391 2.477 10 0 CEAEHN COC[C@H](C)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117101604 645669332 /nfs/dbraw/zinc/66/93/32/645669332.db2.gz MPMOJPLIFOEAEM-ZFWWWQNUSA-N 0 3 277.364 2.087 10 0 CEAEHN CN[C@@H]1CCC[C@@H]1S(=O)(=O)c1cccc(Cl)c1 ZINC000081981956 177911328 /nfs/dbraw/zinc/91/13/28/177911328.db2.gz WHJOHRVAEORWHG-NEPJUHHUSA-N 0 3 273.785 2.254 10 0 CEAEHN COc1ccc(-c2cc(CN)sn2)cc1OC ZINC000082555127 178089672 /nfs/dbraw/zinc/08/96/72/178089672.db2.gz FHIQTOGDSUBKOE-UHFFFAOYSA-N 0 3 250.323 2.286 10 0 CEAEHN COc1ccc(NCCN(C)C)cc1Br ZINC000082624487 178139805 /nfs/dbraw/zinc/13/98/05/178139805.db2.gz WZUFUBAKJVCUQV-UHFFFAOYSA-N 0 3 273.174 2.431 10 0 CEAEHN C[S@](=O)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000082755575 178278166 /nfs/dbraw/zinc/27/81/66/178278166.db2.gz HYCWZCBZCYHBHZ-XXFAHNHDSA-N 0 3 251.273 2.084 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)CC2CCCCCC2)CCO1 ZINC000176608434 282136861 /nfs/dbraw/zinc/13/68/61/282136861.db2.gz QCHGCNNCBYZORC-HNNXBMFYSA-N 0 3 282.428 2.136 10 0 CEAEHN C[C@@H]1CNC[C@H](c2ccccc2Br)O1 ZINC000036673168 361850597 /nfs/dbraw/zinc/85/05/97/361850597.db2.gz CQFGVXSNTPGXLO-LDYMZIIASA-N 0 3 256.143 2.499 10 0 CEAEHN NC1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000037616678 361912892 /nfs/dbraw/zinc/91/28/92/361912892.db2.gz CPIJHHYXXUEDJR-ZJUUUORDSA-N 0 3 278.318 2.495 10 0 CEAEHN CN1CC[C@]2(C1)C[C@H](O)c1cc(Br)ccc1O2 ZINC000097004181 185150538 /nfs/dbraw/zinc/15/05/38/185150538.db2.gz CYXSQJHHFFYTMC-WCQYABFASA-N 0 3 298.180 2.339 10 0 CEAEHN Cn1cc(CN[C@@H]2CCC[C@H](O)C2)c(C(C)(C)C)n1 ZINC000126530497 539231627 /nfs/dbraw/zinc/23/16/27/539231627.db2.gz QXNATAFKSNWQSI-OLZOCXBDSA-N 0 3 265.401 2.111 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000247475832 282200102 /nfs/dbraw/zinc/20/01/02/282200102.db2.gz SHOXFGXZPHSFRO-DYEKYZERSA-N 0 3 294.345 2.231 10 0 CEAEHN CCc1ccc([C@@H](C)NCC(=O)NCCCOC)cc1 ZINC000042267421 362074725 /nfs/dbraw/zinc/07/47/25/362074725.db2.gz MIRFMWWZPUVCFN-CYBMUJFWSA-N 0 3 278.396 2.052 10 0 CEAEHN C[C@H](CNC(=O)OCc1ccccc1)N1CCCC1 ZINC000036077127 343422745 /nfs/dbraw/zinc/42/27/45/343422745.db2.gz DGDHHTPPJJUFQC-CYBMUJFWSA-N 0 3 262.353 2.397 10 0 CEAEHN COC(=O)C[C@H](N)c1ccc(Br)cc1F ZINC000036670197 343423651 /nfs/dbraw/zinc/42/36/51/343423651.db2.gz GDYZFUYWCOOSBV-VIFPVBQESA-N 0 3 276.105 2.151 10 0 CEAEHN CCOC(=O)c1ccc(-c2cccc(CN)n2)cc1 ZINC000034113503 343418747 /nfs/dbraw/zinc/41/87/47/343418747.db2.gz WERJSLJYUGFUPH-UHFFFAOYSA-N 0 3 256.305 2.384 10 0 CEAEHN COc1ccc(CN[C@H]2CCC[C@H](O)C2)c(OC)c1OC ZINC000037164394 343426120 /nfs/dbraw/zinc/42/61/20/343426120.db2.gz QLNVQJRXESGHGN-STQMWFEESA-N 0 3 295.379 2.106 10 0 CEAEHN CCCCCC(=O)NCCNC[C@H](O)c1ccccc1 ZINC000040504181 343437923 /nfs/dbraw/zinc/43/79/23/343437923.db2.gz OSLWYHFDPZURCD-HNNXBMFYSA-N 0 3 278.396 2.006 10 0 CEAEHN COc1ccc(CNC[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000228599195 539349976 /nfs/dbraw/zinc/34/99/76/539349976.db2.gz QRWUJMJRZJVKNQ-FZMZJTMJSA-N 0 3 253.317 2.085 10 0 CEAEHN CCOC(=O)c1cccc(NC(=O)[C@H]2C[C@H](C)CCN2)c1 ZINC000126972079 187273913 /nfs/dbraw/zinc/27/39/13/187273913.db2.gz KERKZXYEWOVCHW-BXUZGUMPSA-N 0 3 290.363 2.190 10 0 CEAEHN Cc1ccc([C@H](C)NCCN2C(=O)CCC2=O)cc1C ZINC000089684883 344127739 /nfs/dbraw/zinc/12/77/39/344127739.db2.gz KURBYBJBCOCATI-ZDUSSCGKSA-N 0 3 274.364 2.103 10 0 CEAEHN NCc1ncc(Br)cc1C(F)(F)F ZINC000095630961 344237362 /nfs/dbraw/zinc/23/73/62/344237362.db2.gz YBEPYGLYWWTDLC-UHFFFAOYSA-N 0 3 255.037 2.322 10 0 CEAEHN Cc1c(Cl)cccc1NC(=O)C(C)(C)N1CCNCC1 ZINC000129574963 344345126 /nfs/dbraw/zinc/34/51/26/344345126.db2.gz XPILIGHDGTWIGT-UHFFFAOYSA-N 0 3 295.814 2.271 10 0 CEAEHN CCCC[C@@H](CC)CNC(=O)C(C)(C)N1CCNCC1 ZINC000129691223 344346570 /nfs/dbraw/zinc/34/65/70/344346570.db2.gz DZQCXOZWSHTVIO-CQSZACIVSA-N 0 3 283.460 2.003 10 0 CEAEHN COc1ccc(N(C)C(=O)[C@@]2(C)CCCCN2)cc1 ZINC000133396775 344368677 /nfs/dbraw/zinc/36/86/77/344368677.db2.gz HVCLBCZOWYXZAY-OAHLLOKOSA-N 0 3 262.353 2.190 10 0 CEAEHN CCC(CC)N(CCOC)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000170833184 344490852 /nfs/dbraw/zinc/49/08/52/344490852.db2.gz GFUAOVYTFMTMOR-CQSZACIVSA-N 0 3 299.459 2.317 10 0 CEAEHN CC(C)COc1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170860218 344491798 /nfs/dbraw/zinc/49/17/98/344491798.db2.gz OFHBUPYTRFVENM-HNNXBMFYSA-N 0 3 290.407 2.498 10 0 CEAEHN C[C@@H](N)C(=O)Nc1cccc(Cl)c1Br ZINC000235159298 344589822 /nfs/dbraw/zinc/58/98/22/344589822.db2.gz MEGZOXLXVGVZDO-RXMQYKEDSA-N 0 3 277.549 2.388 10 0 CEAEHN NC[C@@H](O)c1ccc(Br)c(Cl)c1F ZINC000236205152 344594643 /nfs/dbraw/zinc/59/46/43/344594643.db2.gz NRTZFLIDXHRHQS-ZCFIWIBFSA-N 0 3 268.513 2.234 10 0 CEAEHN CC(C)(C)c1ccc(CN[C@@H]2CCCNC2=O)cc1 ZINC000050393806 362417136 /nfs/dbraw/zinc/41/71/36/362417136.db2.gz JAZGWIATRKESKN-CQSZACIVSA-N 0 3 260.381 2.352 10 0 CEAEHN C[C@](O)(CN1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000052097508 362465507 /nfs/dbraw/zinc/46/55/07/362465507.db2.gz LUWCDCKCNOHSJH-SFHVURJKSA-N 0 3 288.435 2.454 10 0 CEAEHN O=C(CCN1CCO[C@@H]2CCCC[C@@H]21)NC1CCCC1 ZINC000052441770 362471431 /nfs/dbraw/zinc/47/14/31/362471431.db2.gz ZLNPTKYTBUOMDH-LSDHHAIUSA-N 0 3 280.412 2.079 10 0 CEAEHN COC(C)(C)CCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000336784331 365802674 /nfs/dbraw/zinc/80/26/74/365802674.db2.gz OZLZUHTTZAXXQF-KBPBESRZSA-N 0 3 254.418 2.360 10 0 CEAEHN CC(C)(C)c1nc(CN2CC[C@H]3OCCN[C@H]3C2)cs1 ZINC000404095662 344878095 /nfs/dbraw/zinc/87/80/95/344878095.db2.gz XVCMBSCSCGOBKA-QWHCGFSZSA-N 0 3 295.452 2.003 10 0 CEAEHN NCc1ccc(CN2C(=O)c3ccccc3C2=O)cc1F ZINC000404150174 344878731 /nfs/dbraw/zinc/87/87/31/344878731.db2.gz RPIGMKBWYZGBNI-UHFFFAOYSA-N 0 3 284.290 2.081 10 0 CEAEHN CCC[S@](=O)C[C@H](NC)c1ccc2c(c1)OCCCO2 ZINC000084009768 178771923 /nfs/dbraw/zinc/77/19/23/178771923.db2.gz QKOXKCYTOOJMFA-RNODOKPDSA-N 0 3 297.420 2.267 10 0 CEAEHN CCCC[S@@](=O)C[C@H](N)c1ccc2c(c1)OCCO2 ZINC000084038776 178776857 /nfs/dbraw/zinc/77/68/57/178776857.db2.gz JYUSQEOSSARPNU-BUXKBTBVSA-N 0 3 283.393 2.006 10 0 CEAEHN Cc1cc(-c2cnc(C(F)(F)F)nc2)cc(CN)n1 ZINC000584629721 344969211 /nfs/dbraw/zinc/96/92/11/344969211.db2.gz PHZXQXXMGMONKM-UHFFFAOYSA-N 0 3 268.242 2.325 10 0 CEAEHN CN1C(=O)[C@H](N)[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 ZINC000584640101 344971809 /nfs/dbraw/zinc/97/18/09/344971809.db2.gz PKGATXGVSMIGRV-DHGKCCLASA-N 0 3 250.386 2.151 10 0 CEAEHN C[C@H](O)[C@@]1(C)COC(C)(C)CN1Cc1ccccc1 ZINC000584645733 344972706 /nfs/dbraw/zinc/97/27/06/344972706.db2.gz CMORFXOTVLUKQA-XJKSGUPXSA-N 0 3 263.381 2.437 10 0 CEAEHN N[C@H](Cc1cc(Cl)cc2c1OCC2)c1ccnnc1 ZINC000097387583 185596023 /nfs/dbraw/zinc/59/60/23/185596023.db2.gz VYUNDMQJCBMPMW-CYBMUJFWSA-N 0 3 275.739 2.307 10 0 CEAEHN CN[C@H](Cc1ccc(F)cc1C)c1cnns1 ZINC000097453919 185609712 /nfs/dbraw/zinc/60/97/12/185609712.db2.gz IOOBPYSTQACPHA-LLVKDONJSA-N 0 3 251.330 2.489 10 0 CEAEHN C[C@H](O)c1ccnc(N2CCN(C(C)(C)C)CC2)c1 ZINC000095003082 136515200 /nfs/dbraw/zinc/51/52/00/136515200.db2.gz FLLQSKYVNYCVPQ-LBPRGKRZSA-N 0 3 263.385 2.055 10 0 CEAEHN NC[C@](O)(COc1cccc(F)c1)c1ccccc1 ZINC000085307115 179012737 /nfs/dbraw/zinc/01/27/37/179012737.db2.gz SEMYVGUWAFKGLX-HNNXBMFYSA-N 0 3 261.296 2.051 10 0 CEAEHN N[C@@H]1COC[C@H]1c1nc2cccc(Cl)c2s1 ZINC000085352958 179029479 /nfs/dbraw/zinc/02/94/79/179029479.db2.gz BKMOBPAEGZZCRA-HTRCEHHLSA-N 0 3 254.742 2.391 10 0 CEAEHN C[C@H]1CN[C@](C)(c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085531826 179091529 /nfs/dbraw/zinc/09/15/29/179091529.db2.gz WIHAMYFYBLZFDE-YOEHRIQHSA-N 0 3 284.407 2.129 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1cc(C)ccc1F)C(N)=O ZINC000085560552 179094457 /nfs/dbraw/zinc/09/44/57/179094457.db2.gz PVULUMOJMYFWJD-XHDPSFHLSA-N 0 3 282.359 2.145 10 0 CEAEHN Fc1ccc(NCCCNCc2cccnc2)nc1 ZINC000063197146 362757884 /nfs/dbraw/zinc/75/78/84/362757884.db2.gz NFNSPSZKUKTFFC-UHFFFAOYSA-N 0 3 260.316 2.208 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085673842 179112101 /nfs/dbraw/zinc/11/21/01/179112101.db2.gz YLTMFRUYFKBATA-RQJABVFESA-N 0 3 282.428 2.037 10 0 CEAEHN CCc1ncc(CNC[C@H]2CCCC[C@H]2O)s1 ZINC000085976186 179207719 /nfs/dbraw/zinc/20/77/19/179207719.db2.gz PAEGNJSPUNHBJG-ZYHUDNBSSA-N 0 3 254.399 2.346 10 0 CEAEHN CC(C)(N)c1cn(Cc2cc(Cl)ccc2F)nn1 ZINC000231129248 539558252 /nfs/dbraw/zinc/55/82/52/539558252.db2.gz BFQPYYHDCLKNLK-UHFFFAOYSA-N 0 3 268.723 2.313 10 0 CEAEHN CCN(C[C@H](O)COCc1ccccc1)C[C@@H]1CCCO1 ZINC000065353030 362810291 /nfs/dbraw/zinc/81/02/91/362810291.db2.gz YWAHGJHPYMOXKR-IRXDYDNUSA-N 0 3 293.407 2.065 10 0 CEAEHN CCc1ccc([C@H](NC)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000086020336 179218166 /nfs/dbraw/zinc/21/81/66/179218166.db2.gz YZHFNFZCKRBEKH-BXKDBHETSA-N 0 3 273.423 2.006 10 0 CEAEHN CCOCCCN1CCN[C@@](C)(c2ccccc2)C1 ZINC000086125623 179235523 /nfs/dbraw/zinc/23/55/23/179235523.db2.gz JVJDMCBINCWILU-MRXNPFEDSA-N 0 3 262.397 2.234 10 0 CEAEHN C[C@H](C(=O)Nc1ncccc1[O-])[C@H]([NH3+])c1ccccc1 ZINC000128604324 187380052 /nfs/dbraw/zinc/38/00/52/187380052.db2.gz UTRDLOIFSRMIAT-GWCFXTLKSA-N 0 3 271.320 2.062 10 0 CEAEHN CN[C@@H]1CCCc2sc(N(C)C3CCOCC3)nc21 ZINC000086442930 179294065 /nfs/dbraw/zinc/29/40/65/179294065.db2.gz RBBRXRXEFGYNIC-LLVKDONJSA-N 0 3 281.425 2.355 10 0 CEAEHN CCN(C[C@@H]1CCCO1)c1nc2c(s1)CCC[C@@H]2N ZINC000086443305 179294198 /nfs/dbraw/zinc/29/41/98/179294198.db2.gz ZHIGJGOFIVHBLU-QWRGUYRKSA-N 0 3 281.425 2.485 10 0 CEAEHN CC[C@H]1CN(C(=O)COc2ccccc2)[C@@H](CC)CN1 ZINC000086446566 179294752 /nfs/dbraw/zinc/29/47/52/179294752.db2.gz YEAMTKHWNIXAFL-KBPBESRZSA-N 0 3 276.380 2.054 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)[C@@H](CC)CN1 ZINC000086446601 179294869 /nfs/dbraw/zinc/29/48/69/179294869.db2.gz RUOQSBMSGDOGKL-OLZOCXBDSA-N 0 3 294.370 2.437 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(C)nc2C)[C@H](CC)CN1 ZINC000086446148 179294983 /nfs/dbraw/zinc/29/49/83/179294983.db2.gz KVRZEVNWHWKVRP-ZIAGYGMSSA-N 0 3 275.396 2.301 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(OC)cc1 ZINC000086446989 179295559 /nfs/dbraw/zinc/29/55/59/179295559.db2.gz FUAQJBBQQXIYJC-UONOGXRCSA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H](CC)CN1 ZINC000086447291 179295850 /nfs/dbraw/zinc/29/58/50/179295850.db2.gz DLYRDPVVYBKVBX-OLZOCXBDSA-N 0 3 290.363 2.018 10 0 CEAEHN CC[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)[C@H](CC)CN1 ZINC000086447807 179295759 /nfs/dbraw/zinc/29/57/59/179295759.db2.gz GBIHDVUYDCHLLY-KFWWJZLASA-N 0 3 282.428 2.325 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc2[nH]cnc2c1 ZINC000086447568 179295938 /nfs/dbraw/zinc/29/59/38/179295938.db2.gz VABLBBDBJCNYGK-QWHCGFSZSA-N 0 3 286.379 2.166 10 0 CEAEHN Cc1[nH]ncc1CNc1ncc(N)cc1Br ZINC000086481113 179301092 /nfs/dbraw/zinc/30/10/92/179301092.db2.gz GFNVDWYLLCEWRN-UHFFFAOYSA-N 0 3 282.145 2.070 10 0 CEAEHN COC(OC)[C@@H](N)Cc1ccc(Cl)c(Cl)c1 ZINC000086451928 179296577 /nfs/dbraw/zinc/29/65/77/179296577.db2.gz KYWWJKHIPBCUMH-JTQLQIEISA-N 0 3 264.152 2.482 10 0 CEAEHN CCC(CC)(CC)NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000086647085 179316567 /nfs/dbraw/zinc/31/65/67/179316567.db2.gz XNWFECYEHKDLDA-LBPRGKRZSA-N 0 3 276.446 2.017 10 0 CEAEHN COC(=O)c1ccccc1CN1CCC[C@H]1CCCO ZINC000130276837 365940267 /nfs/dbraw/zinc/94/02/67/365940267.db2.gz VGWWOPYUGNZENZ-AWEZNQCLSA-N 0 3 277.364 2.210 10 0 CEAEHN COC(=O)[C@@]1(Nc2ccc(OC)cc2)CCCN(C)CC1 ZINC000086819797 179348217 /nfs/dbraw/zinc/34/82/17/179348217.db2.gz WUCUNHFRGXJTEG-MRXNPFEDSA-N 0 3 292.379 2.135 10 0 CEAEHN CN[C@]1(c2nc3c(s2)CCC3)CCCN(C)CC1 ZINC000086833651 179349758 /nfs/dbraw/zinc/34/97/58/179349758.db2.gz XUOLJFUTPDYGKY-CQSZACIVSA-N 0 3 265.426 2.162 10 0 CEAEHN CCc1nc([C@]2(N)CCCN(C)CC2)sc1C ZINC000086833634 179350427 /nfs/dbraw/zinc/35/04/27/179350427.db2.gz PGTXKBYNBSRAPN-ZDUSSCGKSA-N 0 3 253.415 2.284 10 0 CEAEHN CCN1CCC[C@](O)(c2cc(Cl)cnc2N)CC1 ZINC000086852296 179359690 /nfs/dbraw/zinc/35/96/90/179359690.db2.gz JUVQWIVUFPGADA-CYBMUJFWSA-N 0 3 269.776 2.011 10 0 CEAEHN CC1(C)CC[C@@H](S(=O)(=O)c2cccs2)[C@H]1N ZINC000086866846 179361022 /nfs/dbraw/zinc/36/10/22/179361022.db2.gz FEORCXQPLNJTQF-PSASIEDQSA-N 0 3 259.396 2.038 10 0 CEAEHN CC[C@@H](C)N[C@@]1(C(=O)OC)CCCN(C(C)C)CC1 ZINC000086850502 179358012 /nfs/dbraw/zinc/35/80/12/179358012.db2.gz YAPLAKACIMPNGI-HIFRSBDPSA-N 0 3 270.417 2.181 10 0 CEAEHN CCC[C@H]1CCC[C@@](NCCN(C)C)(C(=O)OC)CC1 ZINC000086949894 179368533 /nfs/dbraw/zinc/36/85/33/179368533.db2.gz WFAOADSZRPTFJC-HOCLYGCPSA-N 0 3 284.444 2.430 10 0 CEAEHN Cc1cc([C@@H](N)CCCC(N)=O)sc1Br ZINC000087019498 179381137 /nfs/dbraw/zinc/38/11/37/179381137.db2.gz DPRBTOMNAMGEHK-ZETCQYMHSA-N 0 3 291.214 2.474 10 0 CEAEHN CC[C@@](C)(O)CNCC(=O)Nc1cc(Cl)ccc1C ZINC000087028039 179381712 /nfs/dbraw/zinc/38/17/12/179381712.db2.gz HNGHFKGQWNLNEK-CQSZACIVSA-N 0 3 284.787 2.338 10 0 CEAEHN COc1ccc([C@H](CN)N2CCC[C@@H]2C)cc1F ZINC000086983657 179374123 /nfs/dbraw/zinc/37/41/23/179374123.db2.gz BILKBWRSBNMQET-GWCFXTLKSA-N 0 3 252.333 2.318 10 0 CEAEHN CCN1C(=O)CCC[C@@H](N)[C@H]1c1ccc(OC)c(F)c1 ZINC000086995299 179376406 /nfs/dbraw/zinc/37/64/06/179376406.db2.gz JSXPTMZAGKEERH-IUODEOHRSA-N 0 3 280.343 2.235 10 0 CEAEHN C[C@@H](NCC1(O)CCC(C)(C)CC1)c1cnccn1 ZINC000087046547 179388167 /nfs/dbraw/zinc/38/81/67/179388167.db2.gz OKWXFZAZSDCQLV-GFCCVEGCSA-N 0 3 263.385 2.459 10 0 CEAEHN CCC1CCC(O)(CNCc2c(C)n[nH]c2C)CC1 ZINC000087061215 179389433 /nfs/dbraw/zinc/38/94/33/179389433.db2.gz REOIIOKOYKJKJP-UHFFFAOYSA-N 0 3 265.401 2.447 10 0 CEAEHN COc1cc(OC)c([C@H]2CNCC(C)(C)O2)cc1OC ZINC000087090394 179394239 /nfs/dbraw/zinc/39/42/39/179394239.db2.gz CNMQMKTYQNTCOO-CQSZACIVSA-N 0 3 281.352 2.152 10 0 CEAEHN CC(C)CNC(=O)[C@H](C)NCC1(O)CCC(C)(C)CC1 ZINC000087063493 179390027 /nfs/dbraw/zinc/39/00/27/179390027.db2.gz VZBPKFIUVWTZFV-ZDUSSCGKSA-N 0 3 284.444 2.068 10 0 CEAEHN Cc1ccccc1NC(=O)CNCC1(O)CCC(C)CC1 ZINC000087063272 179390370 /nfs/dbraw/zinc/39/03/70/179390370.db2.gz RNUNGZYKLFUYMA-UHFFFAOYSA-N 0 3 290.407 2.464 10 0 CEAEHN COc1cc(OC)cc([C@H]2CNCC(C)(C)O2)c1 ZINC000087090445 179393968 /nfs/dbraw/zinc/39/39/68/179393968.db2.gz FJRUZNJSZQIYJA-CYBMUJFWSA-N 0 3 251.326 2.143 10 0 CEAEHN CCOc1ccc(NC(=O)C[C@H]2CCCO2)cc1CN ZINC000087244982 179404720 /nfs/dbraw/zinc/40/47/20/179404720.db2.gz QVUGZDGMKDTMTA-CYBMUJFWSA-N 0 3 278.352 2.052 10 0 CEAEHN CCN[C@@H](COC)Cc1nc(CSCC(C)C)no1 ZINC000087126000 179396291 /nfs/dbraw/zinc/39/62/91/179396291.db2.gz GBARRSMQQMTUDH-LLVKDONJSA-N 0 3 287.429 2.126 10 0 CEAEHN OCCc1ccc([C@@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000616632116 348540885 /nfs/dbraw/zinc/54/08/85/348540885.db2.gz MZKPDLQYXRBOGU-IBGZPJMESA-N 0 3 296.414 2.368 10 0 CEAEHN CC(C)(C)N1CCNC[C@@H]1c1cc2ccccc2nn1 ZINC000616637258 348543308 /nfs/dbraw/zinc/54/33/08/348543308.db2.gz IKFCLYNMBRPFEB-OAHLLOKOSA-N 0 3 270.380 2.375 10 0 CEAEHN CC(C)(C)N1CCNC[C@@H]1c1cnnc2ccccc21 ZINC000616638385 348543342 /nfs/dbraw/zinc/54/33/42/348543342.db2.gz YIKDZOBHGCLCND-OAHLLOKOSA-N 0 3 270.380 2.375 10 0 CEAEHN CC(C)N1CCCOC[C@@H]1c1cccc(CCO)c1 ZINC000616644702 348545362 /nfs/dbraw/zinc/54/53/62/348545362.db2.gz CVURTKHGMFKUBU-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN CC(C)(C)N1CCCO[C@@H](c2ccccc2C(N)=O)C1 ZINC000616652737 348549397 /nfs/dbraw/zinc/54/93/97/348549397.db2.gz JKLAASDLCWPNIO-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN CC1(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@H](N)C2)CC1 ZINC000616569821 348523522 /nfs/dbraw/zinc/52/35/22/348523522.db2.gz KSUKZZVUXBNAEG-UONOGXRCSA-N 0 3 276.355 2.269 10 0 CEAEHN CCN1CCOC[C@@H](c2ccccc2NC(C)=O)C1 ZINC000616598046 348529157 /nfs/dbraw/zinc/52/91/57/348529157.db2.gz NTRPGLFWKBPQPD-ZDUSSCGKSA-N 0 3 262.353 2.081 10 0 CEAEHN CC(C)(C)N1CCCOC[C@H]1c1ccccc1C(N)=O ZINC000616597158 348529211 /nfs/dbraw/zinc/52/92/11/348529211.db2.gz NWYZFTSAOHHDPX-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN OCCN1CCCC[C@@H]1c1cnnc2ccccc21 ZINC000616614277 348534677 /nfs/dbraw/zinc/53/46/77/348534677.db2.gz OAPAFGKADHFWQA-OAHLLOKOSA-N 0 3 257.337 2.149 10 0 CEAEHN OCCN1CCC[C@H](c2cccc3cccnc32)C1 ZINC000616617690 348535922 /nfs/dbraw/zinc/53/59/22/348535922.db2.gz DNVLQDDLIULBDY-AWEZNQCLSA-N 0 3 256.349 2.407 10 0 CEAEHN OCCN1CCC(c2ccc3cnccc3c2)CC1 ZINC000616619933 348536716 /nfs/dbraw/zinc/53/67/16/348536716.db2.gz SORZAJCNBYWSEA-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN c1ccc(CN2CCO[C@@H](c3cncnc3)CC2)cc1 ZINC000616662189 348552938 /nfs/dbraw/zinc/55/29/38/348552938.db2.gz CYMSFMQJVGRQFW-MRXNPFEDSA-N 0 3 269.348 2.440 10 0 CEAEHN CC(C)N1CCO[C@H](c2cccc(CCO)c2)CC1 ZINC000616687327 348560470 /nfs/dbraw/zinc/56/04/70/348560470.db2.gz UVZCEUFRVXSVHQ-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN CCc1ccc(CNC)cc1S(=O)(=O)N[C@@H](C)CC ZINC000088978336 179689158 /nfs/dbraw/zinc/68/91/58/179689158.db2.gz IXELTLKFSOBKBL-NSHDSACASA-N 0 3 284.425 2.045 10 0 CEAEHN CCn1nc(C)cc1CNC[C@@]1(O)CCC[C@@H](C)C1 ZINC000089184420 179746238 /nfs/dbraw/zinc/74/62/38/179746238.db2.gz TXJXNBZYQCUOHT-IUODEOHRSA-N 0 3 265.401 2.242 10 0 CEAEHN CCCN[C@H](Cc1c(Cl)c(C)nn1C)c1cnccn1 ZINC000089250886 179760688 /nfs/dbraw/zinc/76/06/88/179760688.db2.gz ZGVADIXQFFXFJB-LLVKDONJSA-N 0 3 293.802 2.455 10 0 CEAEHN O=[S@]1CCCN[C@@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000090344315 179969596 /nfs/dbraw/zinc/96/95/96/179969596.db2.gz LPGDHFXSYBZSGD-PTDZQCTISA-N 0 3 267.438 2.313 10 0 CEAEHN CC(C)(C)c1ccc(CN[C@H]2CCOC[C@@H]2O)cc1 ZINC000623765959 350106484 /nfs/dbraw/zinc/10/64/84/350106484.db2.gz ZUKLCQDCLPBHIT-GJZGRUSLSA-N 0 3 263.381 2.224 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000623767355 350107042 /nfs/dbraw/zinc/10/70/42/350107042.db2.gz UNTSTEICHBXYNX-RYUDHWBXSA-N 0 3 276.163 2.233 10 0 CEAEHN C[C@]1(C(=O)Nc2cccc(C(F)(F)F)c2)COC[C@@H]1N ZINC000090580306 180008184 /nfs/dbraw/zinc/00/81/84/180008184.db2.gz WBHOXGSNOZTTIZ-JQWIXIFHSA-N 0 3 288.269 2.008 10 0 CEAEHN C[C@]1(c2nc3cc(Cl)ccc3o2)COC[C@@H]1N ZINC000090574329 180008458 /nfs/dbraw/zinc/00/84/58/180008458.db2.gz GCQIFCLUSKVTLQ-JQWIXIFHSA-N 0 3 252.701 2.096 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)COC[C@@H]1N ZINC000090580563 180008593 /nfs/dbraw/zinc/00/85/93/180008593.db2.gz IGHGYOCLQOOOMQ-JQWIXIFHSA-N 0 3 288.269 2.008 10 0 CEAEHN C[C@H](OC[C@@H](N)c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000090672430 180020900 /nfs/dbraw/zinc/02/09/00/180020900.db2.gz PPDUFXGVSMPBBQ-WCBMZHEXSA-N 0 3 291.269 2.425 10 0 CEAEHN C[C@H](OCC(=O)Nc1cccc(CN)c1)C(F)(F)F ZINC000090671966 180021087 /nfs/dbraw/zinc/02/10/87/180021087.db2.gz AVRUBKOZSVYAAC-QMMMGPOBSA-N 0 3 276.258 2.051 10 0 CEAEHN COc1ccc([C@H](N)c2cnccc2C)cc1OC ZINC000090696461 180027214 /nfs/dbraw/zinc/02/72/14/180027214.db2.gz ZWPMABUZHSUSDS-HNNXBMFYSA-N 0 3 258.321 2.455 10 0 CEAEHN C/C=C/C(=O)N1CCCSC[C@H]1CN1CCCCC1 ZINC000090701293 180028025 /nfs/dbraw/zinc/02/80/25/180028025.db2.gz BOERPMNQJLDSHV-VXTUICGHSA-N 0 3 282.453 2.383 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)CC1CCCC1 ZINC000090699782 180028078 /nfs/dbraw/zinc/02/80/78/180028078.db2.gz FWUHAGXZMJJBAB-CQSZACIVSA-N 0 3 284.469 2.462 10 0 CEAEHN COc1ccc2c(c1)CCC[C@@H]2NC[C@@H](C)[S@](C)=O ZINC000090841874 180043364 /nfs/dbraw/zinc/04/33/64/180043364.db2.gz LDNAUDFVVFAQLJ-VZMUKZCBSA-N 0 3 281.421 2.429 10 0 CEAEHN COc1ccc([C@H](C)NC[C@H](C)[S@](C)=O)c(OC)c1 ZINC000090841831 180043567 /nfs/dbraw/zinc/04/35/67/180043567.db2.gz OOVIDSYFRNTDSL-ZHYXMNDGSA-N 0 3 285.409 2.121 10 0 CEAEHN CCOC(=O)CSc1cccc(CNCCOC)c1 ZINC000090873160 180050229 /nfs/dbraw/zinc/05/02/29/180050229.db2.gz DICSQFNWPQYGPQ-UHFFFAOYSA-N 0 3 283.393 2.078 10 0 CEAEHN Cc1ccc(CNC[C@H]2Cc3ccccc3O2)cn1 ZINC000090874607 180050559 /nfs/dbraw/zinc/05/05/59/180050559.db2.gz VJIJUKYTYHSAHS-OAHLLOKOSA-N 0 3 254.333 2.483 10 0 CEAEHN Fc1ccc2c(c1)C[C@@H](CNCc1ccccn1)O2 ZINC000090891999 180053666 /nfs/dbraw/zinc/05/36/66/180053666.db2.gz ZADUYRAWUJZMBZ-AWEZNQCLSA-N 0 3 258.296 2.314 10 0 CEAEHN OCC[C@H]1CCCCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894760 180055752 /nfs/dbraw/zinc/05/57/52/180055752.db2.gz CRJMMQNARWNLRN-CABCVRRESA-N 0 3 279.355 2.366 10 0 CEAEHN CNCc1cnn(C[C@@H]2Cc3cc(F)ccc3O2)c1C ZINC000090895589 180055915 /nfs/dbraw/zinc/05/59/15/180055915.db2.gz XQTLOLJQHXHYET-AWEZNQCLSA-N 0 3 275.327 2.054 10 0 CEAEHN CCOc1ccc([C@@H](CN2C[C@H]3CC[C@@H](C2)O3)NC)cc1 ZINC000090906143 180060848 /nfs/dbraw/zinc/06/08/48/180060848.db2.gz WCLDBWAKNCDKIW-IXDOHACOSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@@H]1CCCc2sc(N3C[C@H]4CC[C@@H](C3)O4)nc21 ZINC000090908123 180062298 /nfs/dbraw/zinc/06/22/98/180062298.db2.gz DOBFXGMMGDNTDC-GRYCIOLGSA-N 0 3 293.436 2.498 10 0 CEAEHN NCc1nc(CN[C@H]2C[C@@H]2c2ccccc2)cs1 ZINC000090932272 180065612 /nfs/dbraw/zinc/06/56/12/180065612.db2.gz QBNIBDBZUONASP-OLZOCXBDSA-N 0 3 259.378 2.248 10 0 CEAEHN CC(=O)Nc1ccsc1CNC[C@@H]1CCCC[C@@H]1O ZINC000090960824 180076273 /nfs/dbraw/zinc/07/62/73/180076273.db2.gz JKQJGQATKDGHGJ-AAEUAGOBSA-N 0 3 282.409 2.347 10 0 CEAEHN NCc1ccccc1CNC(=O)[C@H]1Cc2ccccc21 ZINC000090985437 180080711 /nfs/dbraw/zinc/08/07/11/180080711.db2.gz IMSRUXYNRILPNF-INIZCTEOSA-N 0 3 266.344 2.101 10 0 CEAEHN Cc1ccc2c(c1)nc(C[C@@H]1CSCCN1)n2C ZINC000091128500 180100135 /nfs/dbraw/zinc/10/01/35/180100135.db2.gz MDJGCAXPRULAIP-LLVKDONJSA-N 0 3 261.394 2.129 10 0 CEAEHN CCOC(CN[C@H]1CCN(Cc2ccccc2)C1)OCC ZINC000091354212 180138414 /nfs/dbraw/zinc/13/84/14/180138414.db2.gz GYEZVTNEVFCXDM-INIZCTEOSA-N 0 3 292.423 2.250 10 0 CEAEHN c1cnc2nnc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2c1 ZINC000091355283 180139109 /nfs/dbraw/zinc/13/91/09/180139109.db2.gz PBRZDDPEIIEKEP-SRVKXCTJSA-N 0 3 257.341 2.108 10 0 CEAEHN CC(C)n1cncc1[C@@H](O)[C@H]1NCc2ccccc21 ZINC000091273626 180118003 /nfs/dbraw/zinc/11/80/03/180118003.db2.gz MIWOIMMUMNCNIQ-LSDHHAIUSA-N 0 3 257.337 2.342 10 0 CEAEHN CCN[C@@H](CC(=O)OCC)c1cncn1C(C)C ZINC000091274087 180118965 /nfs/dbraw/zinc/11/89/65/180118965.db2.gz FSXBZONVGVSFQN-NSHDSACASA-N 0 3 253.346 2.068 10 0 CEAEHN CC[C@H](NC(=O)C[C@@H]1CSCCN1)c1cccs1 ZINC000091290502 180121872 /nfs/dbraw/zinc/12/18/72/180121872.db2.gz UZJSHLVYMHWQEM-MNOVXSKESA-N 0 3 284.450 2.411 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CSCCN2)C[C@@H]1C ZINC000091291674 180123126 /nfs/dbraw/zinc/12/31/26/180123126.db2.gz YAACYVSCHAOIAC-MROQNXINSA-N 0 3 270.442 2.022 10 0 CEAEHN Clc1ccc2sc(C[C@@H]3CNCCO3)nc2c1 ZINC000091294569 180124652 /nfs/dbraw/zinc/12/46/52/180124652.db2.gz WCJMHIJPRVXALQ-SECBINFHSA-N 0 3 268.769 2.481 10 0 CEAEHN CN(C)[C@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000091392146 180144847 /nfs/dbraw/zinc/14/48/47/180144847.db2.gz NCIDRUGBZMZDJL-AWEZNQCLSA-N 0 3 287.407 2.211 10 0 CEAEHN CN(C)[C@@H]1CCCN(C(=O)c2cc3cc(N)ccc3o2)C1 ZINC000091394412 180146445 /nfs/dbraw/zinc/14/64/45/180146445.db2.gz PYKJIWAENGJPRD-CYBMUJFWSA-N 0 3 287.363 2.181 10 0 CEAEHN CNCc1cncc(N2CC[C@H](c3ccccc3)C2)n1 ZINC000091418116 180149866 /nfs/dbraw/zinc/14/98/66/180149866.db2.gz LKCRMUSNMHQRID-AWEZNQCLSA-N 0 3 268.364 2.190 10 0 CEAEHN CN(Cc1ccc(Cl)cc1)c1cncc(CN)n1 ZINC000091420911 180150614 /nfs/dbraw/zinc/15/06/14/180150614.db2.gz UGCNWDWZZHMXGF-UHFFFAOYSA-N 0 3 262.744 2.225 10 0 CEAEHN CNCc1cncc(N(C)Cc2ccc(C)cc2)n1 ZINC000091418975 180150747 /nfs/dbraw/zinc/15/07/47/180150747.db2.gz UZXXJOLLOQJOML-UHFFFAOYSA-N 0 3 256.353 2.141 10 0 CEAEHN CN(Cc1cccc(Cl)c1)c1cncc(CN)n1 ZINC000091419941 180150761 /nfs/dbraw/zinc/15/07/61/180150761.db2.gz YWZPWPRQXMZEMY-UHFFFAOYSA-N 0 3 262.744 2.225 10 0 CEAEHN CC[C@H](C)N(CCOC)c1cncc(CNC(C)C)n1 ZINC000091420634 180150771 /nfs/dbraw/zinc/15/07/71/180150771.db2.gz KMVIZHNOCNLTLU-ZDUSSCGKSA-N 0 3 280.416 2.226 10 0 CEAEHN CNCc1cncc(N2CCCc3ccccc3C2)n1 ZINC000091421372 180150986 /nfs/dbraw/zinc/15/09/86/180150986.db2.gz COIQPGDQJGYTQA-UHFFFAOYSA-N 0 3 268.364 2.149 10 0 CEAEHN CC1(C)Cc2cccc(CNCC3CC(O)C3)c2O1 ZINC000091424047 180151127 /nfs/dbraw/zinc/15/11/27/180151127.db2.gz RAXSHEAAYKLQSV-UHFFFAOYSA-N 0 3 261.365 2.261 10 0 CEAEHN CCc1c(C)nn(-c2cncc(CNC(C)C)n2)c1C ZINC000091422449 180151346 /nfs/dbraw/zinc/15/13/46/180151346.db2.gz DBSDADLFEYDNIJ-UHFFFAOYSA-N 0 3 273.384 2.340 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cc(OC)ccc1OC)N(C)C ZINC000091570144 180195420 /nfs/dbraw/zinc/19/54/20/180195420.db2.gz OVVOSJKSQAUCKS-CABCVRRESA-N 0 3 266.385 2.434 10 0 CEAEHN CC[C@](C)(C(=O)Cc1ccnc(N)c1)N1CCCC1 ZINC000091601745 180203574 /nfs/dbraw/zinc/20/35/74/180203574.db2.gz WSCDHPDQPGSKNV-OAHLLOKOSA-N 0 3 261.369 2.040 10 0 CEAEHN CC[C@@](C)([C@@H](O)C1CCCCC1)N1CCOCC1 ZINC000091611255 180206788 /nfs/dbraw/zinc/20/67/88/180206788.db2.gz KEXHYQGTMOEXDX-GJZGRUSLSA-N 0 3 255.402 2.429 10 0 CEAEHN COc1ccc(CNCC2CC(O)C2)c(Cl)c1OC ZINC000091525422 180178883 /nfs/dbraw/zinc/17/88/83/180178883.db2.gz UCEKIMWXGCLWMJ-UHFFFAOYSA-N 0 3 285.771 2.218 10 0 CEAEHN CCc1nn(C)c(C[C@H](O)C(C)(C)N2CCCC2)c1Cl ZINC000091533168 180181231 /nfs/dbraw/zinc/18/12/31/180181231.db2.gz PIEOGVZWNSLYNW-ZDUSSCGKSA-N 0 3 299.846 2.414 10 0 CEAEHN CCn1cc(CC(=O)C2(N3CCCC3)CCCC2)cn1 ZINC000091639981 180211968 /nfs/dbraw/zinc/21/19/68/180211968.db2.gz UEBPOTMCIYJRIR-UHFFFAOYSA-N 0 3 275.396 2.423 10 0 CEAEHN O[C@@H](CC1CCC1)C1(N2CCOCC2)CCCC1 ZINC000091642747 180214149 /nfs/dbraw/zinc/21/41/49/180214149.db2.gz SWBQAOXIYCFKFZ-AWEZNQCLSA-N 0 3 253.386 2.183 10 0 CEAEHN Cc1cccc2c1OCCC[C@H]2NC[C@@H]1CN(C)CCO1 ZINC000091667511 180223244 /nfs/dbraw/zinc/22/32/44/180223244.db2.gz WUCUXCJSTIZJJT-GDBMZVCRSA-N 0 3 290.407 2.129 10 0 CEAEHN CC[C@H](NC(=O)N1CC[C@H](N(C)C)C1)c1nc(C)cs1 ZINC000105307790 186051220 /nfs/dbraw/zinc/05/12/20/186051220.db2.gz CGNXPWDMEXMKPM-RYUDHWBXSA-N 0 3 296.440 2.248 10 0 CEAEHN CN[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717730 180232926 /nfs/dbraw/zinc/23/29/26/180232926.db2.gz HXCBFCXERNBILJ-HOTGVXAUSA-N 0 3 262.397 2.401 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718695 180233268 /nfs/dbraw/zinc/23/32/68/180233268.db2.gz ZWIAPBSGOQYRTD-JKSUJKDBSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@H](c1cc(C)ccc1OC)[C@@H]1CN(C)CCO1 ZINC000091719507 180234178 /nfs/dbraw/zinc/23/41/78/180234178.db2.gz NBUNPKSOFOOPJV-DLBZAZTESA-N 0 3 292.423 2.375 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1C)[C@H]1CN(C)CCO1 ZINC000091719557 180234349 /nfs/dbraw/zinc/23/43/49/180234349.db2.gz WRYPKBQDIQLRBQ-IAGOWNOFSA-N 0 3 292.423 2.375 10 0 CEAEHN CCCN[C@H](c1ccc(F)c(F)c1)[C@H]1CN(C)CCO1 ZINC000091719285 180234507 /nfs/dbraw/zinc/23/45/07/180234507.db2.gz RFVLIMFCPWKXDB-HUUCEWRRSA-N 0 3 284.350 2.336 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1ccc(OC(F)F)cc1 ZINC000624235575 350239714 /nfs/dbraw/zinc/23/97/14/350239714.db2.gz MOKBDUBWTBRKAT-TVYUQYBPSA-N 0 3 287.306 2.088 10 0 CEAEHN CN[C@H](c1cccc(C)c1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721307 180238290 /nfs/dbraw/zinc/23/82/90/180238290.db2.gz YWDFQRNNMYKPJF-DJIMGWMZSA-N 0 3 274.408 2.427 10 0 CEAEHN COc1cccc(NC(=O)Cn2cccc2[C@H](C)N)c1 ZINC000091800087 180259437 /nfs/dbraw/zinc/25/94/37/180259437.db2.gz ARCLLSRJGGGPKH-NSHDSACASA-N 0 3 273.336 2.155 10 0 CEAEHN C[C@H](C(=O)N1CCCCCC1)N(C)C1CCC(=O)CC1 ZINC000091853955 180273728 /nfs/dbraw/zinc/27/37/28/180273728.db2.gz HDSOXFCVHYYUJX-CYBMUJFWSA-N 0 3 280.412 2.221 10 0 CEAEHN CCN1CCO[C@@H](COc2cc(F)ccc2[C@@H](C)NC)C1 ZINC000092051271 180313107 /nfs/dbraw/zinc/31/31/07/180313107.db2.gz IMGGHIWTZPDJMI-TZMCWYRMSA-N 0 3 296.386 2.206 10 0 CEAEHN CCc1nc(COc2ccc(C)nc2CNC(C)C)no1 ZINC000091995447 180301728 /nfs/dbraw/zinc/30/17/28/180301728.db2.gz RNOSTIQJCBFXTG-UHFFFAOYSA-N 0 3 290.367 2.412 10 0 CEAEHN COC[C@H](C)Oc1ccc(C)nc1CNC(C)C ZINC000091995455 180302089 /nfs/dbraw/zinc/30/20/89/180302089.db2.gz WIAOHRWXQPIPII-LBPRGKRZSA-N 0 3 252.358 2.302 10 0 CEAEHN Cc1cc(CN)cc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1C ZINC000092113695 180327543 /nfs/dbraw/zinc/32/75/43/180327543.db2.gz NRAXSONTJQBYGZ-TXEJJXNPSA-N 0 3 296.436 2.039 10 0 CEAEHN CN[C@@H](c1ccc(OC)c(OC)c1)C(C)(C)OC ZINC000092138934 180333635 /nfs/dbraw/zinc/33/36/35/180333635.db2.gz BITAINVAJDHYSP-ZDUSSCGKSA-N 0 3 253.342 2.389 10 0 CEAEHN CCN[C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1C ZINC000105832567 186077069 /nfs/dbraw/zinc/07/70/69/186077069.db2.gz NVSWKBYQPQCPOT-JSGCOSHPSA-N 0 3 274.364 2.041 10 0 CEAEHN CN(c1cccnn1)C1CCN(CCc2ccncc2)CC1 ZINC000105910320 186089648 /nfs/dbraw/zinc/08/96/48/186089648.db2.gz SEEABMHVIXPEOL-UHFFFAOYSA-N 0 3 297.406 2.015 10 0 CEAEHN CCOC(=O)CCN1CCC[C@@H](n2ccnc2CC)C1 ZINC000105922631 186090541 /nfs/dbraw/zinc/09/05/41/186090541.db2.gz OQIGOSYRNIXKIB-CYBMUJFWSA-N 0 3 279.384 2.036 10 0 CEAEHN Cc1cc(Cn2cc(C(C)(C)N)nn2)c2ccccc2n1 ZINC000092364615 180368156 /nfs/dbraw/zinc/36/81/56/180368156.db2.gz YMRMZCPSTPVPIG-UHFFFAOYSA-N 0 3 281.363 2.377 10 0 CEAEHN CCNc1cccc(CN2CCN([C@@H](C)CC)CC2)n1 ZINC000092370241 180369894 /nfs/dbraw/zinc/36/98/94/180369894.db2.gz PWCDJVIGWDJWCP-AWEZNQCLSA-N 0 3 276.428 2.430 10 0 CEAEHN CCNc1cccc(CN2CCN(C(C)C)CC2)n1 ZINC000092368445 180370183 /nfs/dbraw/zinc/37/01/83/180370183.db2.gz ORLBNTOVVPQOMW-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN CCc1nn(C)cc1CN[C@@H]1CCCC[C@@H]1OC ZINC000092409420 180380145 /nfs/dbraw/zinc/38/01/45/180380145.db2.gz REAXXQAOPIOVEF-KGLIPLIRSA-N 0 3 251.374 2.030 10 0 CEAEHN COc1ccc2c(c1)[C@@](CN)(NCC(F)(F)F)CCC2 ZINC000092384847 180373723 /nfs/dbraw/zinc/37/37/23/180373723.db2.gz CRKBLLBJZVDDRA-CYBMUJFWSA-N 0 3 288.313 2.337 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@@H]1n1ccnc1 ZINC000092386051 180374005 /nfs/dbraw/zinc/37/40/05/180374005.db2.gz DOYRGZFOGRQMOV-GJZGRUSLSA-N 0 3 257.337 2.340 10 0 CEAEHN COc1ccc(N(C)C(=O)CNC(C)(C)C)cc1 ZINC000092461103 180390213 /nfs/dbraw/zinc/39/02/13/180390213.db2.gz LTTDMKJATWUVBX-UHFFFAOYSA-N 0 3 250.342 2.046 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)C[C@@H]1CCCOC1 ZINC000107835481 186194003 /nfs/dbraw/zinc/19/40/03/186194003.db2.gz DNEBPAJSTRXUCD-LSDHHAIUSA-N 0 3 299.459 2.031 10 0 CEAEHN Cc1ccc([C@H](C)NCC(C)(C)NS(C)(=O)=O)s1 ZINC000109041631 186240815 /nfs/dbraw/zinc/24/08/15/186240815.db2.gz FQPHQKBAURLRFA-JTQLQIEISA-N 0 3 290.454 2.035 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000109124077 186244537 /nfs/dbraw/zinc/24/45/37/186244537.db2.gz CYEMSWYASTYWFO-JHJVBQTASA-N 0 3 294.345 2.231 10 0 CEAEHN CN[C@@H](COC)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000109502142 186257221 /nfs/dbraw/zinc/25/72/21/186257221.db2.gz NZXHMIPMCVGCSW-LLVKDONJSA-N 0 3 281.743 2.167 10 0 CEAEHN CCCN(CCN(C)C)Cc1c(N)cccc1F ZINC000109427728 186251680 /nfs/dbraw/zinc/25/16/80/186251680.db2.gz QBOPNAYPKCXFAF-UHFFFAOYSA-N 0 3 253.365 2.182 10 0 CEAEHN CC[C@H](C(N)=S)N1CCN(Cc2ccc(C)cc2)CC1 ZINC000109469792 186253822 /nfs/dbraw/zinc/25/38/22/186253822.db2.gz XSMJQNCHTRJCCQ-OAHLLOKOSA-N 0 3 291.464 2.177 10 0 CEAEHN CCN(CC)CCc1noc(CC(=O)C(C)(C)C)n1 ZINC000109477873 186254726 /nfs/dbraw/zinc/25/47/26/186254726.db2.gz PWXHICXUMIPFNP-UHFFFAOYSA-N 0 3 267.373 2.112 10 0 CEAEHN CCOc1ccccc1[C@@H](CO[C@@H]1CCOC1)NC ZINC000110526739 186300709 /nfs/dbraw/zinc/30/07/09/186300709.db2.gz FFHFUIVWSZWVAW-TZMCWYRMSA-N 0 3 265.353 2.151 10 0 CEAEHN CCOc1ccccc1[C@@H](CO[C@H]1CCOC1)NC ZINC000110526745 186301341 /nfs/dbraw/zinc/30/13/41/186301341.db2.gz FFHFUIVWSZWVAW-GXTWGEPZSA-N 0 3 265.353 2.151 10 0 CEAEHN CCCOc1cc(NCCN(C)CCOC)c(N)cc1F ZINC000110641187 186307961 /nfs/dbraw/zinc/30/79/61/186307961.db2.gz OJPVDOMTGQBSGD-UHFFFAOYSA-N 0 3 299.390 2.187 10 0 CEAEHN CN(CC(=O)Nc1ccccc1N)CC1CCCC1 ZINC000110833253 186328496 /nfs/dbraw/zinc/32/84/96/186328496.db2.gz IPCJVEMCQRMQPS-UHFFFAOYSA-N 0 3 261.369 2.329 10 0 CEAEHN c1ccc(-c2n[nH]nc2CNC[C@H]2CCCCO2)cc1 ZINC000110925207 186333693 /nfs/dbraw/zinc/33/36/93/186333693.db2.gz FWQXPDHNLFSAPZ-CYBMUJFWSA-N 0 3 272.352 2.130 10 0 CEAEHN c1ccc(-c2nn[nH]c2CNC[C@H]2CCCCO2)cc1 ZINC000110925207 186333695 /nfs/dbraw/zinc/33/36/95/186333695.db2.gz FWQXPDHNLFSAPZ-CYBMUJFWSA-N 0 3 272.352 2.130 10 0 CEAEHN CCN1CCN(Cc2ccc(N)cc2Cl)C[C@@H]1C ZINC000110703203 186313855 /nfs/dbraw/zinc/31/38/55/186313855.db2.gz YYEIHYDSFHHSME-NSHDSACASA-N 0 3 267.804 2.448 10 0 CEAEHN CN1CCN([C@@H]2CCc3ccccc3[C@@H]2O)CC1(C)C ZINC000110736298 186317968 /nfs/dbraw/zinc/31/79/68/186317968.db2.gz WULVLADDKQUJDU-CVEARBPZSA-N 0 3 274.408 2.061 10 0 CEAEHN CCCNc1cc(CN2CCN(C)C(C)(C)C2)ccn1 ZINC000110743250 186319292 /nfs/dbraw/zinc/31/92/92/186319292.db2.gz BHZIXRWASZBDLM-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CC[C@@H]1CN(C[C@@H]2CCCCCC2=O)CCN1C ZINC000110743974 186319375 /nfs/dbraw/zinc/31/93/75/186319375.db2.gz UADGDJUYZNIHGC-UONOGXRCSA-N 0 3 252.402 2.162 10 0 CEAEHN CCN1CCN(Cc2c3ccccc3oc2CN)C[C@@H]1C ZINC000110752384 186320113 /nfs/dbraw/zinc/32/01/13/186320113.db2.gz XBAREPYUCSJWBQ-ZDUSSCGKSA-N 0 3 287.407 2.418 10 0 CEAEHN CN1CCN(Cc2cc(CNC(C)(C)C)no2)CC1(C)C ZINC000110754920 186320727 /nfs/dbraw/zinc/32/07/27/186320727.db2.gz KMFASNCVLVPWKP-UHFFFAOYSA-N 0 3 294.443 2.089 10 0 CEAEHN Cc1ccc([C@@H](O)CCN2CCN(C)C(C)(C)C2)cc1 ZINC000110748311 186320855 /nfs/dbraw/zinc/32/08/55/186320855.db2.gz KFBYXHDRLBBPOL-INIZCTEOSA-N 0 3 276.424 2.445 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1cccc(F)c1F ZINC000111039328 186347071 /nfs/dbraw/zinc/34/70/71/186347071.db2.gz ZZHCYDJBWSZKTF-MFKMUULPSA-N 0 3 270.323 2.075 10 0 CEAEHN CCCNc1c(F)cc(C(=O)N(C)CCN(C)C)cc1F ZINC000111151632 186361081 /nfs/dbraw/zinc/36/10/81/186361081.db2.gz IKIUVALPBSZYNM-UHFFFAOYSA-N 0 3 299.365 2.420 10 0 CEAEHN CCc1ccc([C@H](CN)N(C)CC2CCOCC2)o1 ZINC000111159998 186362314 /nfs/dbraw/zinc/36/23/14/186362314.db2.gz IOLSUZJGISRIEF-AWEZNQCLSA-N 0 3 266.385 2.200 10 0 CEAEHN CCCOCCO[C@@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000111107323 186352329 /nfs/dbraw/zinc/35/23/29/186352329.db2.gz MHKYYMZSHUYPKX-CVEARBPZSA-N 0 3 279.380 2.453 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1ccc(OC)cc1OC ZINC000111117691 186354418 /nfs/dbraw/zinc/35/44/18/186354418.db2.gz ZODMZVQBIOAQCA-HNNXBMFYSA-N 0 3 296.411 2.062 10 0 CEAEHN CCOCCN(CC)c1c(CNCC(C)C)c(C)nn1C ZINC000111120692 186354985 /nfs/dbraw/zinc/35/49/85/186354985.db2.gz PGZAIPRCDUKRCF-UHFFFAOYSA-N 0 3 296.459 2.337 10 0 CEAEHN CN(C)CCN(C)c1ccc(N)c(C(F)(F)F)c1 ZINC000111131868 186356275 /nfs/dbraw/zinc/35/62/75/186356275.db2.gz GJBZYZNNLOJRDS-UHFFFAOYSA-N 0 3 261.291 2.285 10 0 CEAEHN COc1ccc(C(=O)CN(C)CCN(C)C)cc1Cl ZINC000111139821 186357077 /nfs/dbraw/zinc/35/70/77/186357077.db2.gz JXZVHYQSEGAWHI-UHFFFAOYSA-N 0 3 284.787 2.025 10 0 CEAEHN CCOc1ccc([C@@H](C)O)cc1CN(C)CCN(C)C ZINC000111143135 186358766 /nfs/dbraw/zinc/35/87/66/186358766.db2.gz ZGWBUDLSTJLKKG-CYBMUJFWSA-N 0 3 280.412 2.132 10 0 CEAEHN Cc1cc(C)c([C@H](O)CN(C)CCN(C)C)c(C)c1 ZINC000111143424 186359261 /nfs/dbraw/zinc/35/92/61/186359261.db2.gz YEENIKOLAIKSRF-OAHLLOKOSA-N 0 3 264.413 2.139 10 0 CEAEHN CNCc1cc(F)ccc1N(C)CC1CCOCC1 ZINC000111167258 186363746 /nfs/dbraw/zinc/36/37/46/186363746.db2.gz LYRAQPJUIOEQRF-UHFFFAOYSA-N 0 3 266.360 2.408 10 0 CEAEHN CO[C@H]1CCC[C@@H]1NCc1nc2ccccc2n1C ZINC000111233997 186373103 /nfs/dbraw/zinc/37/31/03/186373103.db2.gz OSYHLJQRYQGCSD-JSGCOSHPSA-N 0 3 259.353 2.230 10 0 CEAEHN Cc1cc2ncc(CN[C@@H](CC(C)C)CN(C)C)cn2n1 ZINC000111235311 186373221 /nfs/dbraw/zinc/37/32/21/186373221.db2.gz GFNIBBQKMMIOCX-HNNXBMFYSA-N 0 3 289.427 2.104 10 0 CEAEHN C[C@@H](CN1CCCC1)NCc1nc2ccccc2n1C ZINC000111233935 186373365 /nfs/dbraw/zinc/37/33/65/186373365.db2.gz IEEXUPNLFKZRRG-ZDUSSCGKSA-N 0 3 272.396 2.147 10 0 CEAEHN NCc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)nc1 ZINC000111282286 186387682 /nfs/dbraw/zinc/38/76/82/186387682.db2.gz CNKVEDDVCADDIJ-OAHLLOKOSA-N 0 3 281.359 2.348 10 0 CEAEHN CC[C@H](NC(=O)c1ccc(CN)cn1)c1ccccc1 ZINC000111282278 186387708 /nfs/dbraw/zinc/38/77/08/186387708.db2.gz APTHDBGXXJIMNH-AWEZNQCLSA-N 0 3 269.348 2.421 10 0 CEAEHN Cc1nc(C[NH3+])sc1-c1nc2c([n-]1)nccc2C ZINC000111280125 186388357 /nfs/dbraw/zinc/38/83/57/186388357.db2.gz KZNZMCBUVGEPIG-UHFFFAOYSA-N 0 3 259.338 2.157 10 0 CEAEHN CCN(Cc1ccccc1)C(=O)c1ccc(CN)cn1 ZINC000111281363 186388918 /nfs/dbraw/zinc/38/89/18/186388918.db2.gz PJFXZNJLKKGBBN-UHFFFAOYSA-N 0 3 269.348 2.203 10 0 CEAEHN CCC1(C)CCN(C(=O)c2ccc(CN)cn2)CC1 ZINC000111282492 186390258 /nfs/dbraw/zinc/39/02/58/186390258.db2.gz UWVYHKRRLYCFTE-UHFFFAOYSA-N 0 3 261.369 2.193 10 0 CEAEHN N[C@H](c1ccc2c(c1)COC2)c1ccc2c(c1)CC(=O)N2 ZINC000111305627 186393781 /nfs/dbraw/zinc/39/37/81/186393781.db2.gz GDHBCPYUGFBYKU-QGZVFWFLSA-N 0 3 280.327 2.260 10 0 CEAEHN CCOC(=O)CCCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000070272555 363066092 /nfs/dbraw/zinc/06/60/92/363066092.db2.gz SDJQANYMTNBDRZ-GFCCVEGCSA-N 0 3 293.363 2.452 10 0 CEAEHN CC(C)OC[C@H](O)CN(Cc1ccsc1)C1CC1 ZINC000070197553 363053030 /nfs/dbraw/zinc/05/30/30/363053030.db2.gz IGHBIQDPROZSRL-CQSZACIVSA-N 0 3 269.410 2.498 10 0 CEAEHN CCOC1CCN(C[C@@H](O)COCc2ccccc2)CC1 ZINC000070197265 363053705 /nfs/dbraw/zinc/05/37/05/363053705.db2.gz XEHVPGYXMDHRQS-MRXNPFEDSA-N 0 3 293.407 2.065 10 0 CEAEHN CCc1cc(N2CCNCC2)nc(-c2cccc(F)c2)n1 ZINC000070451617 363083775 /nfs/dbraw/zinc/08/37/75/363083775.db2.gz ALFAFUPGZSKFLS-UHFFFAOYSA-N 0 3 286.354 2.255 10 0 CEAEHN COC(=O)[C@@H]1CN([C@@H](C)CCc2ccccc2)CCC1=O ZINC000070460830 363088139 /nfs/dbraw/zinc/08/81/39/363088139.db2.gz XHPMCCKALVVASY-DZGCQCFKSA-N 0 3 289.375 2.072 10 0 CEAEHN COc1ccc(F)cc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000122148328 187017753 /nfs/dbraw/zinc/01/77/53/187017753.db2.gz AQRZXPAMEXMLPC-NSHDSACASA-N 0 3 281.331 2.002 10 0 CEAEHN CC(=O)Oc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000123215096 187077940 /nfs/dbraw/zinc/07/79/40/187077940.db2.gz CMWQXPWUMSNTSU-HNNXBMFYSA-N 0 3 299.374 2.335 10 0 CEAEHN CCc1nc(C)c([C@H](C)NC[C@@H](C)N2CCOCC2)s1 ZINC000123237718 187079569 /nfs/dbraw/zinc/07/95/69/187079569.db2.gz ZXFAPJNBLSCAGO-NEPJUHHUSA-N 0 3 297.468 2.385 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1CNCc1ccncc1Br ZINC000631077497 351952011 /nfs/dbraw/zinc/95/20/11/351952011.db2.gz GGWVQPPUTITFDA-DGCLKSJQSA-N 0 3 299.212 2.485 10 0 CEAEHN NCc1c[nH]c(-c2cc(Br)cs2)n1 ZINC000070599545 363100549 /nfs/dbraw/zinc/10/05/49/363100549.db2.gz LGAPIOVYDCOBSA-UHFFFAOYSA-N 0 3 258.144 2.359 10 0 CEAEHN N[C@H](CO)c1ccc(Cl)cc1Br ZINC000072199132 363121159 /nfs/dbraw/zinc/12/11/59/363121159.db2.gz ZWMGYWXYDLGLCS-MRVPVSSYSA-N 0 3 250.523 2.095 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2cc(C)oc2C)C1 ZINC000252641684 539883619 /nfs/dbraw/zinc/88/36/19/539883619.db2.gz MCWIXDMTEMNAHK-OCCSQVGLSA-N 0 3 266.385 2.268 10 0 CEAEHN C[C@H](C(=O)NCC[C@H]1CCCO1)[C@H](N)c1ccccc1 ZINC000251086164 539971980 /nfs/dbraw/zinc/97/19/80/539971980.db2.gz XRYWMEZXIKJNMO-CFVMTHIKSA-N 0 3 276.380 2.008 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc(C)cc1OC)N(C)C ZINC000154034694 188119228 /nfs/dbraw/zinc/11/92/28/188119228.db2.gz AQCXTCYNBUYYAG-AWEZNQCLSA-N 0 3 278.396 2.350 10 0 CEAEHN COCOc1ccc(OC)cc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000154479416 188145052 /nfs/dbraw/zinc/14/50/52/188145052.db2.gz MVWJTJMCKRPOAI-WFASDCNBSA-N 0 3 295.379 2.335 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccccc2F)[C@@H](C)C1 ZINC000155687376 188221164 /nfs/dbraw/zinc/22/11/64/188221164.db2.gz SSOWSYBHLKPVDD-FZMZJTMJSA-N 0 3 264.344 2.284 10 0 CEAEHN CC(C)[C@@H](CO)NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000156400695 188260015 /nfs/dbraw/zinc/26/00/15/188260015.db2.gz YVFBFMVCBPQBQY-DZGCQCFKSA-N 0 3 296.798 2.440 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1cccs1 ZINC000158684379 188389007 /nfs/dbraw/zinc/38/90/07/188389007.db2.gz WTLIRBNKHRZNSO-GHMZBOCLSA-N 0 3 252.383 2.014 10 0 CEAEHN CC[C@H](CCO)N[C@@H](C)c1c(C)nn(CC)c1C ZINC000131906783 366098999 /nfs/dbraw/zinc/09/89/99/366098999.db2.gz XKMYLVXVBLOMRG-GXFFZTMASA-N 0 3 253.390 2.331 10 0 CEAEHN CCCCN=[S@](=O)(NCC)c1ccc(N)cc1 ZINC000675074777 540116260 /nfs/dbraw/zinc/11/62/60/540116260.db2.gz IADUASXBTLYBLQ-QGZVFWFLSA-N 0 3 255.387 2.420 10 0 CEAEHN CC(C)N[S@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675075836 540116768 /nfs/dbraw/zinc/11/67/68/540116768.db2.gz SHLRAALIXSQTSB-KRWDZBQOSA-N 0 3 253.371 2.171 10 0 CEAEHN Cc1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)c(Cl)c1 ZINC000404257782 540120538 /nfs/dbraw/zinc/12/05/38/540120538.db2.gz MWDHAVLJILMFKT-GJZGRUSLSA-N 0 3 280.799 2.211 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cc2c(cc1SC)OCCO2 ZINC000236946263 370663177 /nfs/dbraw/zinc/66/31/77/370663177.db2.gz VKXKJUKXZFQLCI-VIFPVBQESA-N 0 3 296.392 2.246 10 0 CEAEHN CCN(CC)c1ncc(CN[C@@H]2CCO[C@H]2C)s1 ZINC000134246106 366302588 /nfs/dbraw/zinc/30/25/88/366302588.db2.gz HGIHNUWONCEVLY-CMPLNLGQSA-N 0 3 269.414 2.256 10 0 CEAEHN CCc1cc(I)cc(CN)c1OC ZINC000575725123 366348180 /nfs/dbraw/zinc/34/81/80/366348180.db2.gz GNEVIHMMCXDJMS-UHFFFAOYSA-N 0 3 291.132 2.321 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2cncc(Br)c2)C1 ZINC000166496256 540304798 /nfs/dbraw/zinc/30/47/98/540304798.db2.gz DXBWHXNHZUVALD-NEPJUHHUSA-N 0 3 285.185 2.237 10 0 CEAEHN CN1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952216 540646525 /nfs/dbraw/zinc/64/65/25/540646525.db2.gz AULQVTOFZLFZPV-AWEZNQCLSA-N 0 3 297.443 2.023 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(F)c1 ZINC000176963515 189017414 /nfs/dbraw/zinc/01/74/14/189017414.db2.gz KAIVGPLWJDIGNX-AWEZNQCLSA-N 0 3 264.344 2.382 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccccn1 ZINC000177024914 189021700 /nfs/dbraw/zinc/02/17/00/189021700.db2.gz RJFNLAXBNMRNCI-GFCCVEGCSA-N 0 3 262.357 2.030 10 0 CEAEHN C[C@H](c1cn(-c2ccccc2)nn1)N1CCN2CCC[C@@H]2C1 ZINC000177498444 189054130 /nfs/dbraw/zinc/05/41/30/189054130.db2.gz SAUYDWCYJAWDOW-GDBMZVCRSA-N 0 3 297.406 2.108 10 0 CEAEHN Cc1cc(CN2CCC[C@H]2Cn2ccnc2C)no1 ZINC000178314844 189106018 /nfs/dbraw/zinc/10/60/18/189106018.db2.gz DAVFDUBQYXUOLA-AWEZNQCLSA-N 0 3 260.341 2.153 10 0 CEAEHN CCC[C@@H](C(=O)OCC)N1CCC[C@@H]1Cn1ccnc1C ZINC000178331445 189107621 /nfs/dbraw/zinc/10/76/21/189107621.db2.gz UJUDRVBBYNQFRJ-CABCVRRESA-N 0 3 293.411 2.388 10 0 CEAEHN COc1cc(C(=O)N2CCN3CCC[C@H]3C2)ccc1Cl ZINC000179342278 189187008 /nfs/dbraw/zinc/18/70/08/189187008.db2.gz LYQOJHRRISMCMW-LBPRGKRZSA-N 0 3 294.782 2.269 10 0 CEAEHN c1cn2c(cccc2CN2CCN3CCCC[C@@H]3C2)n1 ZINC000179892874 189226719 /nfs/dbraw/zinc/22/67/19/189226719.db2.gz QXSKWUJPNJYWET-CQSZACIVSA-N 0 3 270.380 2.004 10 0 CEAEHN C[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000180271614 189248001 /nfs/dbraw/zinc/24/80/01/189248001.db2.gz QDMAHKFJIPNBET-UTUOFQBUSA-N 0 3 282.409 2.035 10 0 CEAEHN CCc1ccc([C@@H](C)N[C@@H]2CCc3ncnn3C2)o1 ZINC000180597837 189264553 /nfs/dbraw/zinc/26/45/53/189264553.db2.gz RFOPSLCIFJIKPX-GHMZBOCLSA-N 0 3 260.341 2.099 10 0 CEAEHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000182891533 189338583 /nfs/dbraw/zinc/33/85/83/189338583.db2.gz HWOZZOMZRCIPPA-CQSZACIVSA-N 0 3 276.380 2.242 10 0 CEAEHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000182891533 189338584 /nfs/dbraw/zinc/33/85/84/189338584.db2.gz HWOZZOMZRCIPPA-CQSZACIVSA-N 0 3 276.380 2.242 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCO[C@H](C(CC)CC)C1 ZINC000183086285 189346386 /nfs/dbraw/zinc/34/63/86/189346386.db2.gz CCUWBIYRVNEVSU-RDBSUJKOSA-N 0 3 270.417 2.214 10 0 CEAEHN OCCN1CCC2(CC1)Oc1ccccc1[C@@H]2n1cccc1 ZINC000029315512 361683907 /nfs/dbraw/zinc/68/39/07/361683907.db2.gz XCWSTXJAIKIBPH-KRWDZBQOSA-N 0 3 298.386 2.297 10 0 CEAEHN C[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCS1 ZINC000084963594 363827801 /nfs/dbraw/zinc/82/78/01/363827801.db2.gz UKLGZCSZOISRGZ-HIFRSBDPSA-N 0 3 281.421 2.001 10 0 CEAEHN CC(C)n1cncc1CNC[C@@H]1CCCC[C@@H]1O ZINC000090209453 364050407 /nfs/dbraw/zinc/05/04/07/364050407.db2.gz NFXKBFCUSSUIRC-JSGCOSHPSA-N 0 3 251.374 2.105 10 0 CEAEHN Cc1cc(Cl)cc(CN[C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000334597179 364063346 /nfs/dbraw/zinc/06/33/46/364063346.db2.gz OWOCURYXWBJHOB-ZWNOBZJWSA-N 0 3 266.772 2.405 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc2[nH]cnc2c1 ZINC000092667316 364096991 /nfs/dbraw/zinc/09/69/91/364096991.db2.gz NBVXAOQNEKPYGH-ZDUSSCGKSA-N 0 3 286.379 2.119 10 0 CEAEHN CCn1cc(C2CCN(Cc3cn(C)nc3C)CC2)cn1 ZINC000092809121 364110595 /nfs/dbraw/zinc/11/05/95/364110595.db2.gz POXVTFZZTCVQMH-UHFFFAOYSA-N 0 3 287.411 2.325 10 0 CEAEHN Cc1c(CNCCCOc2ccccc2)cnn1C ZINC000093650235 364211039 /nfs/dbraw/zinc/21/10/39/364211039.db2.gz CYXZHWGYKYASGN-UHFFFAOYSA-N 0 3 259.353 2.287 10 0 CEAEHN Cc1cc(Br)c(CN)nc1Br ZINC000156749733 366837639 /nfs/dbraw/zinc/83/76/39/366837639.db2.gz MCDDHOXPCDGVII-UHFFFAOYSA-N 0 3 279.963 2.374 10 0 CEAEHN CC(=O)CCN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000103474059 364657923 /nfs/dbraw/zinc/65/79/23/364657923.db2.gz CGAVAABRSIEXGL-AWEZNQCLSA-N 0 3 261.369 2.103 10 0 CEAEHN Cc1ccc([C@@H](C)NCC[C@H]2CCS(=O)(=O)C2)o1 ZINC000680406416 541409460 /nfs/dbraw/zinc/40/94/60/541409460.db2.gz ZZMKNHIYNDQLKG-NEPJUHHUSA-N 0 3 271.382 2.063 10 0 CEAEHN NC[C@@H]1CN(c2cc(Cl)cc(Cl)c2)C(=O)O1 ZINC000019669224 541444504 /nfs/dbraw/zinc/44/45/04/541444504.db2.gz AYQKEYCSKUSUQT-SECBINFHSA-N 0 3 261.108 2.277 10 0 CEAEHN CCCC(C)(C)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000116535585 365061966 /nfs/dbraw/zinc/06/19/66/365061966.db2.gz ZZRIEHHJJGETCL-LBPRGKRZSA-N 0 3 255.406 2.349 10 0 CEAEHN Cn1c(CNC[C@@H]2CCc3nccn3C2)nc2ccccc21 ZINC000275452841 193044245 /nfs/dbraw/zinc/04/42/45/193044245.db2.gz GRTVHMQGBNUCJF-ZDUSSCGKSA-N 0 3 295.390 2.122 10 0 CEAEHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccsc1 ZINC000275519318 193064858 /nfs/dbraw/zinc/06/48/58/193064858.db2.gz LANUCSBDTCFGQN-STQMWFEESA-N 0 3 277.393 2.492 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)cn1 ZINC000282502183 299358201 /nfs/dbraw/zinc/35/82/01/299358201.db2.gz YGFQWAKPYMQECL-YGOYTEALSA-N 0 3 267.760 2.053 10 0 CEAEHN Cc1cc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)ccn1 ZINC000120217098 365391118 /nfs/dbraw/zinc/39/11/18/365391118.db2.gz LEBZVWGDEZKOBP-SMDDNHRTSA-N 0 3 276.384 2.240 10 0 CEAEHN Cc1ncccc1CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000120251940 365396207 /nfs/dbraw/zinc/39/62/07/365396207.db2.gz AADSLGJGDZRGBD-INIZCTEOSA-N 0 3 297.406 2.281 10 0 CEAEHN Cc1ccccc1[C@H](C)NCC(=O)NC(=O)NCC(C)C ZINC000120481782 365430804 /nfs/dbraw/zinc/43/08/04/365430804.db2.gz KTSRGPYMLRREQB-ZDUSSCGKSA-N 0 3 291.395 2.127 10 0 CEAEHN COCCN1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1C ZINC000120829608 365481239 /nfs/dbraw/zinc/48/12/39/365481239.db2.gz ZOSCPZKEWCKGNM-NHZBNJEXSA-N 0 3 292.398 2.491 10 0 CEAEHN CCSCC[C@@H](C)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000245499889 370829249 /nfs/dbraw/zinc/82/92/49/370829249.db2.gz ZAXKFKIWQGYSFO-OLZOCXBDSA-N 0 3 285.457 2.008 10 0 CEAEHN C[C@@H]1CCC[C@H](CN2CCO[C@@H](CN(C)C)C2)C1 ZINC000245636689 370853227 /nfs/dbraw/zinc/85/32/27/370853227.db2.gz XDXPYPGKKUCXHD-ILXRZTDVSA-N 0 3 254.418 2.075 10 0 CEAEHN C[C@@H]1CN(c2ncc(Cl)cc2Br)CCN1 ZINC000162763913 367188577 /nfs/dbraw/zinc/18/85/77/367188577.db2.gz SCZNRQHDESBZRU-SSDOTTSWSA-N 0 3 290.592 2.296 10 0 CEAEHN C[C@H](O)[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000162784345 367189904 /nfs/dbraw/zinc/18/99/04/367189904.db2.gz QQVVPFNQXDIGMJ-GXTWGEPZSA-N 0 3 256.349 2.438 10 0 CEAEHN CC[C@@H](C(=O)N1CCC[C@@H](c2nc(C)cs2)C1)N(C)C ZINC000163788269 367265352 /nfs/dbraw/zinc/26/53/52/367265352.db2.gz BXEQNENAKLJVEC-OLZOCXBDSA-N 0 3 295.452 2.498 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1cccc(F)c1F ZINC000165627418 367310098 /nfs/dbraw/zinc/31/00/98/367310098.db2.gz YCZQLZAVQUAWPG-GHMZBOCLSA-N 0 3 297.349 2.371 10 0 CEAEHN CCN(Cc1cnn(C)c1)C[C@@](C)(O)c1ccccc1 ZINC000170778969 367414025 /nfs/dbraw/zinc/41/40/25/367414025.db2.gz LJQYEZHEGYJOBP-MRXNPFEDSA-N 0 3 273.380 2.150 10 0 CEAEHN Cc1nc2ccc(NC(=O)N3CC[C@@H](N(C)C)C3)cc2o1 ZINC000171074877 367471424 /nfs/dbraw/zinc/47/14/24/367471424.db2.gz XFEHGLSHVDMFDB-GFCCVEGCSA-N 0 3 288.351 2.304 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000170856356 367432534 /nfs/dbraw/zinc/43/25/34/367432534.db2.gz ZTQUGALULGSLHL-JTQLQIEISA-N 0 3 284.306 2.064 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000170863692 367434051 /nfs/dbraw/zinc/43/40/51/367434051.db2.gz HWWGILIOTGOAIQ-LBPRGKRZSA-N 0 3 286.297 2.482 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000170862127 367434226 /nfs/dbraw/zinc/43/42/26/367434226.db2.gz JXDAWWISIDHFJR-LBPRGKRZSA-N 0 3 258.321 2.209 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000170862123 367434826 /nfs/dbraw/zinc/43/48/26/367434826.db2.gz JXDAWWISIDHFJR-GFCCVEGCSA-N 0 3 258.321 2.209 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000170864487 367436791 /nfs/dbraw/zinc/43/67/91/367436791.db2.gz VXRMUFCZNMAZDQ-ZDUSSCGKSA-N 0 3 269.348 2.011 10 0 CEAEHN CC[C@@H]1CN(Cc2c(F)cccc2F)CCN1C[C@H](C)O ZINC000245748671 370869089 /nfs/dbraw/zinc/86/90/89/370869089.db2.gz NHVAHGSAKSBEHT-QWHCGFSZSA-N 0 3 298.377 2.242 10 0 CEAEHN CCc1ccc(CN2CCN(C[C@H](C)O)[C@@H](CC)C2)o1 ZINC000245783936 370872915 /nfs/dbraw/zinc/87/29/15/370872915.db2.gz UWVDNLCLKBILAT-KBPBESRZSA-N 0 3 280.412 2.119 10 0 CEAEHN C[C@H]1CN(C[C@@H](O)COCc2ccccc2F)CCS1 ZINC000245809174 370874889 /nfs/dbraw/zinc/87/48/89/370874889.db2.gz FQFYQITZZUGSRF-GXTWGEPZSA-N 0 3 299.411 2.141 10 0 CEAEHN Cc1cccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1C ZINC000245808388 370875108 /nfs/dbraw/zinc/87/51/08/370875108.db2.gz YZWFFBWRMPTIMC-LSDHHAIUSA-N 0 3 276.424 2.190 10 0 CEAEHN Cc1cccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1C ZINC000245808383 370875686 /nfs/dbraw/zinc/87/56/86/370875686.db2.gz YZWFFBWRMPTIMC-CABCVRRESA-N 0 3 276.424 2.190 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](N3CC=CC3)C2)o1 ZINC000173464696 367912464 /nfs/dbraw/zinc/91/24/64/367912464.db2.gz CQRISHTUWIQZIB-KGLIPLIRSA-N 0 3 289.379 2.305 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(CCC(=O)OC(C)C)C2)c1 ZINC000173699685 367935445 /nfs/dbraw/zinc/93/54/45/367935445.db2.gz XHALCHWCXQRSNN-CQSZACIVSA-N 0 3 279.384 2.170 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccsc1 ZINC000175020954 368091088 /nfs/dbraw/zinc/09/10/88/368091088.db2.gz WRRGSPHIBZPUOJ-CHWSQXEVSA-N 0 3 264.394 2.447 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cccc(C)n1 ZINC000177402769 368266074 /nfs/dbraw/zinc/26/60/74/368266074.db2.gz IFCBEWISTSUZSB-OAHLLOKOSA-N 0 3 290.411 2.016 10 0 CEAEHN Cc1ccc2c(c1)[C@@H](NC[C@@H]1CN(C)CCO1)CCCO2 ZINC000180497527 368384392 /nfs/dbraw/zinc/38/43/92/368384392.db2.gz AEJMUTORNYENHP-ZBFHGGJFSA-N 0 3 290.407 2.129 10 0 CEAEHN O[C@]12CCCC[C@H]1CN(Cc1cccc3nccn31)CC2 ZINC000246015802 370900174 /nfs/dbraw/zinc/90/01/74/370900174.db2.gz ZKYZMRYLRXYKMW-YOEHRIQHSA-N 0 3 285.391 2.461 10 0 CEAEHN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000185045389 368739619 /nfs/dbraw/zinc/73/96/19/368739619.db2.gz PKDJOCRTMGLVLL-BZUAXINKSA-N 0 3 294.439 2.278 10 0 CEAEHN c1ccc(OCCN2CCN3CCCC[C@H]3C2)cc1 ZINC000246127359 370913025 /nfs/dbraw/zinc/91/30/25/370913025.db2.gz BQRWGCQZRQTKAD-HNNXBMFYSA-N 0 3 260.381 2.236 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2ccncc2)C12CCOCC2 ZINC000185662459 368839038 /nfs/dbraw/zinc/83/90/38/368839038.db2.gz CCXWXSXECSWMLD-LSDHHAIUSA-N 0 3 276.380 2.145 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2c(C)noc2C)C12CCOCC2 ZINC000186275425 368948716 /nfs/dbraw/zinc/94/87/16/368948716.db2.gz QLSXWWXOCUIUCW-LSDHHAIUSA-N 0 3 294.395 2.355 10 0 CEAEHN Cc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)c(C)n1 ZINC000187049470 369092004 /nfs/dbraw/zinc/09/20/04/369092004.db2.gz JSNIXIRBBBCNRX-HNNXBMFYSA-N 0 3 270.380 2.421 10 0 CEAEHN Cc1cnccc1CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000187052009 369092118 /nfs/dbraw/zinc/09/21/18/369092118.db2.gz SSYGGNDRGBBRAJ-OAHLLOKOSA-N 0 3 292.427 2.166 10 0 CEAEHN CCc1nnc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)n1C ZINC000187571170 369181434 /nfs/dbraw/zinc/18/14/34/369181434.db2.gz ZASVVUNYSBWSEG-GRYCIOLGSA-N 0 3 250.390 2.292 10 0 CEAEHN CC[C@@H](CC(=O)N1CCN2CCC[C@H]2C1)C(C)C ZINC000246361301 370950575 /nfs/dbraw/zinc/95/05/75/370950575.db2.gz FJVJQQZRZZHDMX-KBPBESRZSA-N 0 3 252.402 2.365 10 0 CEAEHN CN1CCO[C@H](CN[C@H]2CCSc3ccc(F)cc32)C1 ZINC000246378740 370953485 /nfs/dbraw/zinc/95/34/85/370953485.db2.gz JWHLPNNQOMCATB-OCCSQVGLSA-N 0 3 296.411 2.283 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1Cc1nccs1 ZINC000246390217 370954450 /nfs/dbraw/zinc/95/44/50/370954450.db2.gz CCMQMJVUNSXALY-RYUDHWBXSA-N 0 3 251.399 2.202 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC000246576044 370979578 /nfs/dbraw/zinc/97/95/78/370979578.db2.gz HBUGSVMYZFGPCI-ZBFHGGJFSA-N 0 3 274.408 2.466 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H]1CC[C@@H](C)O1 ZINC000249077928 284163738 /nfs/dbraw/zinc/16/37/38/284163738.db2.gz MCDZTIZLYWNOKM-QTVXIADOSA-N 0 3 281.396 2.360 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H]1CCCCO1 ZINC000194215265 284163992 /nfs/dbraw/zinc/16/39/92/284163992.db2.gz ITLRVVONLBXLPJ-AJNGGQMLSA-N 0 3 281.396 2.362 10 0 CEAEHN CCC(=O)CCN1CC[C@H](CNc2ccccn2)C1 ZINC000190242454 369607522 /nfs/dbraw/zinc/60/75/22/369607522.db2.gz QCPVHPNJHYAJHN-CYBMUJFWSA-N 0 3 261.369 2.185 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC1=CCCOC1 ZINC000179200555 284189133 /nfs/dbraw/zinc/18/91/33/284189133.db2.gz ISDSIOBSPNSBGJ-ILXRZTDVSA-N 0 3 279.380 2.139 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1ccc(F)cc1 ZINC000193248031 369911840 /nfs/dbraw/zinc/91/18/40/369911840.db2.gz CUMIJHVRPBNORS-HNNXBMFYSA-N 0 3 269.360 2.435 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1ccc2c(c1)OCO2 ZINC000193358374 369932147 /nfs/dbraw/zinc/93/21/47/369932147.db2.gz KYPWWFUAGYTYPY-CQSZACIVSA-N 0 3 295.379 2.025 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccc3ncccc3c2)C1 ZINC000194575871 370055108 /nfs/dbraw/zinc/05/51/08/370055108.db2.gz VUGYYQXJAQXKMS-HNNXBMFYSA-N 0 3 298.390 2.080 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000195222931 370115246 /nfs/dbraw/zinc/11/52/46/370115246.db2.gz ILOPPESITFAGIW-SOUVJXGZSA-N 0 3 291.370 2.027 10 0 CEAEHN CC(C)CC[C@@H](N)C(=O)Nc1nnc(CC(C)C)s1 ZINC000637873838 370138146 /nfs/dbraw/zinc/13/81/46/370138146.db2.gz BGYAEVIABMHAIJ-SNVBAGLBSA-N 0 3 284.429 2.439 10 0 CEAEHN CC(C)c1oc(NC(=O)c2ccc(Cl)cc2)nc1O ZINC000227173943 370364076 /nfs/dbraw/zinc/36/40/76/370364076.db2.gz XHKAKHCIYLFTTG-SNVBAGLBSA-N 0 3 280.711 2.007 10 0 CEAEHN CC(C)C1OC(NC(=O)c2ccc(Cl)cc2)=NC1=O ZINC000227173943 370364084 /nfs/dbraw/zinc/36/40/84/370364084.db2.gz XHKAKHCIYLFTTG-SNVBAGLBSA-N 0 3 280.711 2.007 10 0 CEAEHN CCCC(=O)Nc1cc(N)ccc1N1CCN(CC)CC1 ZINC000226258356 370332874 /nfs/dbraw/zinc/33/28/74/370332874.db2.gz PTMFDWMUEQVQAU-UHFFFAOYSA-N 0 3 290.411 2.149 10 0 CEAEHN CC(C)n1cc(CN[C@@H]2CCCCC[C@@H]2O)cn1 ZINC000232784425 370511483 /nfs/dbraw/zinc/51/14/83/370511483.db2.gz KQAKLORNFPSDRB-KGLIPLIRSA-N 0 3 251.374 2.247 10 0 CEAEHN Oc1cccc2c1CC[C@H]2NCCOCC(F)F ZINC000236620222 370598047 /nfs/dbraw/zinc/59/80/47/370598047.db2.gz ZPWYBBQTOUTJQA-LLVKDONJSA-N 0 3 257.280 2.251 10 0 CEAEHN C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000235674888 370573345 /nfs/dbraw/zinc/57/33/45/370573345.db2.gz OOJALXGIJMJYAU-ZANVPECISA-N 0 3 282.771 2.068 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)COC1CCCCC1 ZINC000247004260 371044666 /nfs/dbraw/zinc/04/46/66/371044666.db2.gz FPAPYZVHWFKKIT-KBPBESRZSA-N 0 3 280.412 2.031 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)COC1CCCCC1 ZINC000247004288 371045500 /nfs/dbraw/zinc/04/55/00/371045500.db2.gz FPAPYZVHWFKKIT-KGLIPLIRSA-N 0 3 280.412 2.031 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000247232561 371080248 /nfs/dbraw/zinc/08/02/48/371080248.db2.gz DAVXXXDRXUKOAV-KGYLQXTDSA-N 0 3 294.345 2.231 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)COc2ccccc2F)C1 ZINC000247469464 371112312 /nfs/dbraw/zinc/11/23/12/371112312.db2.gz VDSINUNPXWGLRR-TZMCWYRMSA-N 0 3 294.370 2.049 10 0 CEAEHN COC(=O)[C@H](C)CN1CCc2sccc2[C@@H]1C ZINC000049538408 284255397 /nfs/dbraw/zinc/25/53/97/284255397.db2.gz UGIGEDOCVYIGPA-ZJUUUORDSA-N 0 3 253.367 2.476 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([O-])c1 ZINC000248723962 371238132 /nfs/dbraw/zinc/23/81/32/371238132.db2.gz UEKRHEIKYFQXJD-TZMCWYRMSA-N 0 3 288.391 2.263 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c([O-])c1 ZINC000248723962 371238138 /nfs/dbraw/zinc/23/81/38/371238138.db2.gz UEKRHEIKYFQXJD-TZMCWYRMSA-N 0 3 288.391 2.263 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(C[C@H]3CCC=CO3)C2)no1 ZINC000248825382 371250408 /nfs/dbraw/zinc/25/04/08/371250408.db2.gz FZMGDKJISLCNRG-UONOGXRCSA-N 0 3 277.368 2.325 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC000249692795 371354076 /nfs/dbraw/zinc/35/40/76/371354076.db2.gz NCJCGEQUJIAMHU-KBPBESRZSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H](C)Cc2cccs2)C1 ZINC000249749916 371359067 /nfs/dbraw/zinc/35/90/67/371359067.db2.gz BZZIVYYAZSIKPJ-OLZOCXBDSA-N 0 3 295.452 2.463 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000249764603 371361028 /nfs/dbraw/zinc/36/10/28/371361028.db2.gz OBTJBWAWZPWGLD-MCIONIFRSA-N 0 3 267.417 2.158 10 0 CEAEHN CCN1CCC[C@@H](N[C@H](C)c2ccc(F)cn2)C1 ZINC000250388633 371383711 /nfs/dbraw/zinc/38/37/11/371383711.db2.gz XVVIMHTVDNXDCY-DGCLKSJQSA-N 0 3 251.349 2.356 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1nnsc1Cl ZINC000252661624 371463536 /nfs/dbraw/zinc/46/35/36/371463536.db2.gz NETDVKBSWXVLAA-ZJUUUORDSA-N 0 3 286.832 2.250 10 0 CEAEHN NC[C@H](c1ccc(Br)cc1)N1CCC1 ZINC000258082001 371616840 /nfs/dbraw/zinc/61/68/40/371616840.db2.gz VKCNSKYBGALMNX-LLVKDONJSA-N 0 3 255.159 2.155 10 0 CEAEHN CCCC[C@@H](CCC)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261668505 371698047 /nfs/dbraw/zinc/69/80/47/371698047.db2.gz AAKPLQGNNDLEKH-HIFRSBDPSA-N 0 3 284.444 2.463 10 0 CEAEHN Cc1cccc2sc(NC(=O)C3(N)CCOCC3)nc21 ZINC000261890963 371762667 /nfs/dbraw/zinc/76/26/67/371762667.db2.gz QMXLPNTVVMZNEY-UHFFFAOYSA-N 0 3 291.376 2.051 10 0 CEAEHN NC1(C(=O)Nc2cccc(C(F)F)c2)CCOCC1 ZINC000261822903 371742360 /nfs/dbraw/zinc/74/23/60/371742360.db2.gz KLTNDMCGOKBSNQ-UHFFFAOYSA-N 0 3 270.279 2.071 10 0 CEAEHN CCOC(=O)c1ccc(NCc2ccc3c(c2)CNC3)nc1 ZINC000262510652 371870565 /nfs/dbraw/zinc/87/05/65/371870565.db2.gz MYSIDXWJBCDOHW-UHFFFAOYSA-N 0 3 297.358 2.474 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000262631343 371888827 /nfs/dbraw/zinc/88/88/27/371888827.db2.gz FECYGEVZDLMDOH-GXFFZTMASA-N 0 3 272.352 2.389 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NCCCc1cccc(OC)c1 ZINC000262715673 371901613 /nfs/dbraw/zinc/90/16/13/371901613.db2.gz UWEQMEYNWVFCCM-MRXNPFEDSA-N 0 3 278.396 2.262 10 0 CEAEHN CSCC[C@@H](N)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000262717602 371901633 /nfs/dbraw/zinc/90/16/33/371901633.db2.gz WHWADGPNALMBPB-GXFFZTMASA-N 0 3 284.425 2.106 10 0 CEAEHN CC[C@H]1CN(Cc2ccc3ccccc3n2)C[C@@H]1O ZINC000270493592 372811454 /nfs/dbraw/zinc/81/14/54/372811454.db2.gz AXFPBXDRSWBHPC-LRDDRELGSA-N 0 3 256.349 2.438 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cccc(C)c2C)CCCN1 ZINC000643614847 373220351 /nfs/dbraw/zinc/22/03/51/373220351.db2.gz NLNDMEPYMSMEPO-OAHLLOKOSA-N 0 3 262.353 2.011 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(Cl)cc2)CCCN1 ZINC000643614742 373221245 /nfs/dbraw/zinc/22/12/45/373221245.db2.gz JNKNEQWVMDQKQM-CYBMUJFWSA-N 0 3 268.744 2.047 10 0 CEAEHN CC[C@@H](NC(=O)[C@@H]1CNCCOC1)c1ccc(Cl)cc1 ZINC000643625872 373224208 /nfs/dbraw/zinc/22/42/08/373224208.db2.gz SYKARECRPLIEJP-TZMCWYRMSA-N 0 3 296.798 2.143 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cccc(C(F)F)c2)CCCN1 ZINC000643673288 373233065 /nfs/dbraw/zinc/23/30/65/373233065.db2.gz WOLIMZLBAVVHCC-CQSZACIVSA-N 0 3 284.306 2.331 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc(C)cc2OC)C1 ZINC000165257935 541979546 /nfs/dbraw/zinc/97/95/46/541979546.db2.gz QBBHCEYBXBFKMS-LSDHHAIUSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN1CC[C@@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000389517882 375306392 /nfs/dbraw/zinc/30/63/92/375306392.db2.gz GKCZUQJLIQSKPJ-GFCCVEGCSA-N 0 3 296.798 2.295 10 0 CEAEHN CCN1CC[C@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000389515668 375306424 /nfs/dbraw/zinc/30/64/24/375306424.db2.gz FYKHXTNBXIGSMR-LBPRGKRZSA-N 0 3 278.787 2.172 10 0 CEAEHN CCN1CCO[C@H](CNCc2csc(C)c2C)C1 ZINC000399883873 375370939 /nfs/dbraw/zinc/37/09/39/375370939.db2.gz LVEIFTQQSQBHII-CQSZACIVSA-N 0 3 268.426 2.175 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cccc(Cl)c1F ZINC000282342819 375460824 /nfs/dbraw/zinc/46/08/24/375460824.db2.gz MEZWOXOKOFGYEJ-GZMMTYOYSA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@@H]1CC(CNCc2ccc(CO)o2)C[C@@H](C)O1 ZINC000282391580 375473270 /nfs/dbraw/zinc/47/32/70/375473270.db2.gz YAMYZSRASDVWLJ-GHMZBOCLSA-N 0 3 253.342 2.065 10 0 CEAEHN Cc1cnn(C)c1CNC(C)(C)CNC(=O)OC(C)(C)C ZINC000286710898 376043551 /nfs/dbraw/zinc/04/35/51/376043551.db2.gz WSJYRDYCQQHEAU-UHFFFAOYSA-N 0 3 296.415 2.121 10 0 CEAEHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12NCCS2 ZINC000306378970 376546421 /nfs/dbraw/zinc/54/64/21/376546421.db2.gz PGJSHVYILIWZPA-GWCFXTLKSA-N 0 3 272.414 2.296 10 0 CEAEHN CCOC1(CNCc2cnn(C)c2C)CCCC1 ZINC000311113857 376653873 /nfs/dbraw/zinc/65/38/73/376653873.db2.gz XHMLMXGYNCGNMP-UHFFFAOYSA-N 0 3 251.374 2.167 10 0 CEAEHN COc1ccc(F)cc1CNC[C@@H]1CCCC[C@@H]1O ZINC000291278582 377155608 /nfs/dbraw/zinc/15/56/08/377155608.db2.gz UMQWADKYEHMNGO-FZMZJTMJSA-N 0 3 267.344 2.475 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCCc1ccccn1 ZINC000177014667 542243240 /nfs/dbraw/zinc/24/32/40/542243240.db2.gz ZIJLTNMIIBADGD-MRXNPFEDSA-N 0 3 289.423 2.347 10 0 CEAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)N(C)C1CCCCC1 ZINC000183170133 542287054 /nfs/dbraw/zinc/28/70/54/542287054.db2.gz PCCHYOAKNSPMBC-KCQAQPDRSA-N 0 3 282.428 2.323 10 0 CEAEHN CCC[C@H](C)N(C)S(=O)(=O)c1ccsc1CNC ZINC000088964599 184615636 /nfs/dbraw/zinc/61/56/36/184615636.db2.gz AUOVWKAJPRPVKH-JTQLQIEISA-N 0 3 290.454 2.277 10 0 CEAEHN CCOc1ccccc1[C@H](C)NCCC(=O)NC1CC1 ZINC000092986160 184641306 /nfs/dbraw/zinc/64/13/06/184641306.db2.gz WRGHEFWUJPRAIE-LBPRGKRZSA-N 0 3 276.380 2.405 10 0 CEAEHN COC(=O)[C@H](C)[C@H](C)NCc1ccc(F)cc1F ZINC000093028828 184643742 /nfs/dbraw/zinc/64/37/42/184643742.db2.gz PDWYXIBCQHLHBQ-BDAKNGLRSA-N 0 3 257.280 2.252 10 0 CEAEHN O=[S@@](C[C@@H]1CCCCN1)c1nc2ccccc2o1 ZINC000095073500 285191160 /nfs/dbraw/zinc/19/11/60/285191160.db2.gz MNYXXQCZSJXPCO-XTZNXHDOSA-N 0 3 264.350 2.078 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)N1CCCC[C@@H]1[C@@H]1CCCC1=O ZINC000093490880 184683654 /nfs/dbraw/zinc/68/36/54/184683654.db2.gz SJGFQLYKSRMGOS-SOUVJXGZSA-N 0 3 294.439 2.467 10 0 CEAEHN N[C@@H]1CCCCC[C@@H]1S(=O)(=O)Cc1ccccc1 ZINC000081923741 177897774 /nfs/dbraw/zinc/89/77/74/177897774.db2.gz IKGIUASLAVNJPF-KGLIPLIRSA-N 0 3 267.394 2.261 10 0 CEAEHN COc1cccc(S(=O)(=O)[C@H]2CC(C)(C)CC[C@H]2N)c1 ZINC000081923593 177897282 /nfs/dbraw/zinc/89/72/82/177897282.db2.gz GUTRCYBXGKGUIS-KGLIPLIRSA-N 0 3 297.420 2.375 10 0 CEAEHN CCC(CC)N1C(=O)C[C@H](NC[C@H](C)C(C)C)C1=O ZINC000081050247 177762031 /nfs/dbraw/zinc/76/20/31/177762031.db2.gz QEICSXIYJFKVRA-AAEUAGOBSA-N 0 3 268.401 2.184 10 0 CEAEHN CCc1cccc(OCC[C@@H]2CCC[C@@]2(N)C(N)=O)c1 ZINC000093621027 184697457 /nfs/dbraw/zinc/69/74/57/184697457.db2.gz SLEQMTPZNCOGOZ-BBRMVZONSA-N 0 3 276.380 2.001 10 0 CEAEHN Cc1cc(C)cc([C@@H](N)[C@H]2CN(C(C)C)CCO2)c1 ZINC000093925420 184743629 /nfs/dbraw/zinc/74/36/29/184743629.db2.gz XDLWBZWOAWHQGO-HZPDHXFCSA-N 0 3 262.397 2.412 10 0 CEAEHN O=C(CCCN1CCN2CCC[C@@H]2C1)c1cccs1 ZINC000094462645 184805102 /nfs/dbraw/zinc/80/51/02/184805102.db2.gz WNNXYCVPXOPEGF-CYBMUJFWSA-N 0 3 278.421 2.491 10 0 CEAEHN CCCCOC(=O)COc1c(F)cc(CN)cc1F ZINC000094346120 184786546 /nfs/dbraw/zinc/78/65/46/184786546.db2.gz PXMAQKAKVMNXPB-UHFFFAOYSA-N 0 3 273.279 2.146 10 0 CEAEHN CCCN[C@@H](c1ccccc1C)[C@H]1CN2CCN1CC2 ZINC000094510470 184812120 /nfs/dbraw/zinc/81/21/20/184812120.db2.gz PJSQTYVHIHPYIA-SJORKVTESA-N 0 3 273.424 2.036 10 0 CEAEHN O=S1(=O)CCC(NCc2ccccc2C2CC2)CC1 ZINC000094518376 184813157 /nfs/dbraw/zinc/81/31/57/184813157.db2.gz MBNUOLPJLJOLJI-UHFFFAOYSA-N 0 3 279.405 2.231 10 0 CEAEHN CCCN[C@@H](c1cc(OC)cc(OC)c1)[C@H]1COCCO1 ZINC000094651361 184834739 /nfs/dbraw/zinc/83/47/39/184834739.db2.gz KMNXALSWEMOXIZ-CVEARBPZSA-N 0 3 295.379 2.160 10 0 CEAEHN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000262115133 131192192 /nfs/dbraw/zinc/19/21/92/131192192.db2.gz IHFVMMRBAJSGNI-DDTOSNHZSA-N 0 3 282.359 2.001 10 0 CEAEHN CC(C)[C@H](N)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000262590119 131237288 /nfs/dbraw/zinc/23/72/88/131237288.db2.gz UPRRRGDRTZURQQ-AWEZNQCLSA-N 0 3 278.371 2.248 10 0 CEAEHN C[C@@H]1CN(c2cc(Br)ccc2F)CCN1 ZINC000083060789 135013330 /nfs/dbraw/zinc/01/33/30/135013330.db2.gz LOYPIGVJRKEYFD-MRVPVSSYSA-N 0 3 273.149 2.386 10 0 CEAEHN C[C@@H]1CNCCN1c1cccc(OC(F)(F)F)c1 ZINC000083433807 135020976 /nfs/dbraw/zinc/02/09/76/135020976.db2.gz QUOYVEJEUPZDIT-SECBINFHSA-N 0 3 260.259 2.383 10 0 CEAEHN Fc1ccc(OCC2CCC2)c(N2CCNCC2)c1 ZINC000088135496 135053134 /nfs/dbraw/zinc/05/31/34/135053134.db2.gz ORJQZNGOOGKYOA-UHFFFAOYSA-N 0 3 264.344 2.414 10 0 CEAEHN NCc1cccc(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000088416164 135053947 /nfs/dbraw/zinc/05/39/47/135053947.db2.gz IBGWBEDYBVOGFJ-VIFPVBQESA-N 0 3 259.275 2.319 10 0 CEAEHN C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H](C)N1 ZINC000090802708 135065855 /nfs/dbraw/zinc/06/58/55/135065855.db2.gz OMSZQEIIHGGABW-RKDXNWHRSA-N 0 3 259.275 2.287 10 0 CEAEHN C[C@H]1CCc2ccccc2N1C(=O)C[C@H]1CSCCN1 ZINC000091133882 135067141 /nfs/dbraw/zinc/06/71/41/135067141.db2.gz WCGSFLJALYTLAB-JSGCOSHPSA-N 0 3 290.432 2.449 10 0 CEAEHN NCc1cncc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000091419052 135069546 /nfs/dbraw/zinc/06/95/46/135069546.db2.gz XLAWYJTXBPAGDO-UHFFFAOYSA-N 0 3 282.391 2.394 10 0 CEAEHN CCCNCc1cncc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000091418846 135069556 /nfs/dbraw/zinc/06/95/56/135069556.db2.gz MILXMDZMTAHTQU-STQMWFEESA-N 0 3 262.401 2.459 10 0 CEAEHN CCNCc1cncc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000091422048 135069811 /nfs/dbraw/zinc/06/98/11/135069811.db2.gz VHPYWDILLNUINR-JSGCOSHPSA-N 0 3 260.385 2.355 10 0 CEAEHN NCc1c(F)cccc1N1CCCC[C@H]1CCO ZINC000093395184 135080497 /nfs/dbraw/zinc/08/04/97/135080497.db2.gz BLILXFXCXMGKNB-NSHDSACASA-N 0 3 252.333 2.026 10 0 CEAEHN CC[C@H]1COCCN1c1nc(C(F)(F)F)ccc1CN ZINC000094334139 135085999 /nfs/dbraw/zinc/08/59/99/135085999.db2.gz XMUBJBYXUADVMV-JTQLQIEISA-N 0 3 289.301 2.174 10 0 CEAEHN CCc1cnc(CN2C[C@H]3CCCCN3C[C@H]2C)o1 ZINC000300404587 394454963 /nfs/dbraw/zinc/45/49/63/394454963.db2.gz GQHBQOMWSJHEKZ-CHWSQXEVSA-N 0 3 263.385 2.296 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2ccccc2F)C1 ZINC000052592407 394558061 /nfs/dbraw/zinc/55/80/61/394558061.db2.gz GTQULFJUIUULHF-CQSZACIVSA-N 0 3 293.386 2.451 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Cl)ccn1 ZINC000246884292 394522857 /nfs/dbraw/zinc/52/28/57/394522857.db2.gz GFAGJUKPAOQGNK-OLZOCXBDSA-N 0 3 293.798 2.434 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C)o1 ZINC000247067650 394526304 /nfs/dbraw/zinc/52/63/04/394526304.db2.gz XXCOUQDLMOIODY-OLZOCXBDSA-N 0 3 262.353 2.287 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(OC)cc2)C1 ZINC000048769219 394528888 /nfs/dbraw/zinc/52/88/88/394528888.db2.gz BGIAJPGGFUDEIE-CYBMUJFWSA-N 0 3 277.368 2.301 10 0 CEAEHN C[C@@H]1CN(CCN2CCC[C@H]2c2ccco2)CCO1 ZINC000249299175 394553429 /nfs/dbraw/zinc/55/34/29/394553429.db2.gz RTWAFNQNEAAMNI-KGLIPLIRSA-N 0 3 264.369 2.137 10 0 CEAEHN OC1CC(CNCc2ccccc2OC(F)F)C1 ZINC000091426555 394657046 /nfs/dbraw/zinc/65/70/46/394657046.db2.gz CAGLHPNHTSMREL-UHFFFAOYSA-N 0 3 257.280 2.149 10 0 CEAEHN N[C@H](C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1CCOCC1 ZINC000261774242 394607161 /nfs/dbraw/zinc/60/71/61/394607161.db2.gz MMHQGCJJFHCNFE-BVUBDWEXSA-N 0 3 294.439 2.215 10 0 CEAEHN C[C@@H](NCCc1cn(C)cn1)c1ccc(Cl)cn1 ZINC000414129889 394711502 /nfs/dbraw/zinc/71/15/02/394711502.db2.gz WAYWPXGLHSTPKQ-SNVBAGLBSA-N 0 3 264.760 2.362 10 0 CEAEHN CCC[C@@H](N)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000158176906 395039842 /nfs/dbraw/zinc/03/98/42/395039842.db2.gz OOGOAGBYVFXMKH-LLVKDONJSA-N 0 3 295.452 2.198 10 0 CEAEHN CCC[C@@H](N)C(=O)NCCCOc1ccccc1C ZINC000158201596 395040827 /nfs/dbraw/zinc/04/08/27/395040827.db2.gz KVCAOIYUJUWKQS-CYBMUJFWSA-N 0 3 264.369 2.008 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)cs1 ZINC000176936198 395143886 /nfs/dbraw/zinc/14/38/86/395143886.db2.gz SHUZZOWDLABLDE-NWDGAFQWSA-N 0 3 294.420 2.456 10 0 CEAEHN COc1ccc(NC(=O)CN[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000646091620 396289477 /nfs/dbraw/zinc/28/94/77/396289477.db2.gz XIFBJVQUFBSQFJ-NILFDRSVSA-N 0 3 274.364 2.412 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000155404397 289173280 /nfs/dbraw/zinc/17/32/80/289173280.db2.gz XIFFUPJOUGHSNL-SKDRFNHKSA-N 0 3 269.776 2.127 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000037046186 400114852 /nfs/dbraw/zinc/11/48/52/400114852.db2.gz FJBMUUXJUCBYRU-BXUZGUMPSA-N 0 3 264.369 2.390 10 0 CEAEHN COc1ccc(CNCC[C@@H]2CCCO2)c(OC)c1OC ZINC000037988686 400123248 /nfs/dbraw/zinc/12/32/48/400123248.db2.gz OIJIPHNLRNJHDG-ZDUSSCGKSA-N 0 3 295.379 2.371 10 0 CEAEHN CC[C@H]1CN(c2ccnc(Cl)c2)CCN1CCOC ZINC000125514675 400278311 /nfs/dbraw/zinc/27/83/11/400278311.db2.gz MDZQEUAXFPAOJB-LBPRGKRZSA-N 0 3 283.803 2.282 10 0 CEAEHN Cc1cnccc1CC(=O)N[C@H](CC(C)C)CN(C)C ZINC000188291279 153049522 /nfs/dbraw/zinc/04/95/22/153049522.db2.gz JVBGMLGPLMFKQW-OAHLLOKOSA-N 0 3 277.412 2.025 10 0 CEAEHN C[C@@H]1C(=O)NCCCN1CCCc1ccc(Cl)cc1 ZINC000189329726 153091495 /nfs/dbraw/zinc/09/14/95/153091495.db2.gz JSPJRODZKYWVEE-GFCCVEGCSA-N 0 3 280.799 2.483 10 0 CEAEHN O=C1O[C@@H](CN2CCC(c3cc[nH]n3)CC2)CC12CCC2 ZINC000191978730 153199643 /nfs/dbraw/zinc/19/96/43/153199643.db2.gz KHLMNJHMWXVVEH-CYBMUJFWSA-N 0 3 289.379 2.075 10 0 CEAEHN O=C(CCc1cc(F)ccc1F)N1CCN2CCC[C@H]2C1 ZINC000195337188 153285429 /nfs/dbraw/zinc/28/54/29/153285429.db2.gz HYOVRJKBAWFUAE-AWEZNQCLSA-N 0 3 294.345 2.204 10 0 CEAEHN CCCCS[C@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195336568 153286838 /nfs/dbraw/zinc/28/68/38/153286838.db2.gz PSCSVXDGGUSCKG-CHWSQXEVSA-N 0 3 270.442 2.215 10 0 CEAEHN Cc1cnc(C)c(NC[C@@H]2NCCc3ccccc32)n1 ZINC000261726116 153821685 /nfs/dbraw/zinc/82/16/85/153821685.db2.gz KUUPBNUZDGGVJJ-HNNXBMFYSA-N 0 3 268.364 2.392 10 0 CEAEHN C[C@@H]1CCC[C@H](Cc2nc([C@@H]3CNCCN3C)no2)C1 ZINC000263129517 154020291 /nfs/dbraw/zinc/02/02/91/154020291.db2.gz BOEBQLYTDXRITE-AGIUHOORSA-N 0 3 278.400 2.015 10 0 CEAEHN C[C@H](CC1CCCC1)c1nc([C@H]2CNCCN2C)no1 ZINC000263166147 154028473 /nfs/dbraw/zinc/02/84/73/154028473.db2.gz FFDCCQMKOORAFX-DGCLKSJQSA-N 0 3 278.400 2.330 10 0 CEAEHN CC[C@@H](C)N(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000080012644 286764720 /nfs/dbraw/zinc/76/47/20/286764720.db2.gz WOEWRGUGHJXFSN-CHWSQXEVSA-N 0 3 257.422 2.403 10 0 CEAEHN CCN(C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)C(C)C ZINC000131816864 162299346 /nfs/dbraw/zinc/29/93/46/162299346.db2.gz VXTQMFLDVCVPHO-STQMWFEESA-N 0 3 255.406 2.155 10 0 CEAEHN [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1 ZINC000166458257 162350053 /nfs/dbraw/zinc/35/00/53/162350053.db2.gz VJWOAMARTWSHKQ-APPZFPTMSA-N 0 3 288.269 2.477 10 0 CEAEHN CC[C@H](N[C@@H]1CCCNC1=O)c1cccc(F)c1 ZINC000166566863 162351584 /nfs/dbraw/zinc/35/15/84/162351584.db2.gz QZIIKOUSWIGPHV-QWHCGFSZSA-N 0 3 250.317 2.145 10 0 CEAEHN CC[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000155948380 287059867 /nfs/dbraw/zinc/05/98/67/287059867.db2.gz KVNFPFKWWGWWSY-MCIONIFRSA-N 0 3 267.417 2.301 10 0 CEAEHN O=C(NCCC1=CCCCC1)N1CCN2CCC[C@@H]2C1 ZINC000171896360 165049578 /nfs/dbraw/zinc/04/95/78/165049578.db2.gz QYJCQPLVQGMVLT-OAHLLOKOSA-N 0 3 277.412 2.367 10 0 CEAEHN CCC[C@H](C)CS(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000173885236 165086153 /nfs/dbraw/zinc/08/61/53/165086153.db2.gz DSRPJSRPQOTIGV-IHRRRGAJSA-N 0 3 290.473 2.071 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nc(-c2ccoc2)no1 ZINC000175342873 165132786 /nfs/dbraw/zinc/13/27/86/165132786.db2.gz LPGLDJCSVLBACX-ZDUSSCGKSA-N 0 3 290.367 2.246 10 0 CEAEHN CC[C@@H](CSC)N(C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000179596732 165284045 /nfs/dbraw/zinc/28/40/45/165284045.db2.gz VUYNHBVXQHRSHV-OLZOCXBDSA-N 0 3 287.473 2.254 10 0 CEAEHN CC[C@@H](CSC)N(C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000179596764 165285327 /nfs/dbraw/zinc/28/53/27/165285327.db2.gz VUYNHBVXQHRSHV-STQMWFEESA-N 0 3 287.473 2.254 10 0 CEAEHN CCc1ccnc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)c1 ZINC000180289647 165306534 /nfs/dbraw/zinc/30/65/34/165306534.db2.gz MMJSPKBFFLZLOO-GJZGRUSLSA-N 0 3 287.407 2.343 10 0 CEAEHN CCN1CCC[C@@H](Nc2ncccc2-c2nc(C)no2)C1 ZINC000180423531 165309335 /nfs/dbraw/zinc/30/93/35/165309335.db2.gz AYMXCYANQXYQQE-GFCCVEGCSA-N 0 3 287.367 2.336 10 0 CEAEHN Cc1ccc([C@@H](N)Cn2ncc3ccccc3c2=O)cc1 ZINC000019260316 170761606 /nfs/dbraw/zinc/76/16/06/170761606.db2.gz HMRZYYWKNMCSQO-INIZCTEOSA-N 0 3 279.343 2.405 10 0 CEAEHN NC[C@@H](c1ccccc1Cl)N1CCC(CO)CC1 ZINC000020179049 171043517 /nfs/dbraw/zinc/04/35/17/171043517.db2.gz QPAVRKVSWKACEO-AWEZNQCLSA-N 0 3 268.788 2.044 10 0 CEAEHN CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1[C@@H](C)N ZINC000020419447 171184564 /nfs/dbraw/zinc/18/45/64/171184564.db2.gz SMCPYHQHKOFXAM-TUAOUCFPSA-N 0 3 264.369 2.388 10 0 CEAEHN NCc1cccc(C(=O)NCc2cccc(F)c2)c1 ZINC000020473234 171216489 /nfs/dbraw/zinc/21/64/89/171216489.db2.gz FFFAFYVZHWQBDX-UHFFFAOYSA-N 0 3 258.296 2.214 10 0 CEAEHN CCOC(=O)C[C@H](N)c1ccc(OC(F)F)cc1 ZINC000020577682 171256199 /nfs/dbraw/zinc/25/61/99/171256199.db2.gz NFOBREVXWRUPRP-JTQLQIEISA-N 0 3 259.252 2.241 10 0 CEAEHN CCC[C@@H](C)NS(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000021814398 171331856 /nfs/dbraw/zinc/33/18/56/171331856.db2.gz KQOSHKJQDKOKIX-GHMZBOCLSA-N 0 3 270.398 2.173 10 0 CEAEHN CCCCCNS(=O)(=O)c1cccc([C@H](C)N)c1 ZINC000022146914 171356783 /nfs/dbraw/zinc/35/67/83/171356783.db2.gz SXTFIKJYMLNVQH-NSHDSACASA-N 0 3 270.398 2.175 10 0 CEAEHN C[C@H](C(=O)Nc1ccccc1N)N1CCCCCC1 ZINC000022152952 171359935 /nfs/dbraw/zinc/35/99/35/171359935.db2.gz OSASQGAYPWYEFL-GFCCVEGCSA-N 0 3 261.369 2.472 10 0 CEAEHN NCc1ccccc1NC(=O)CCCOCC(F)(F)F ZINC000022164240 171364994 /nfs/dbraw/zinc/36/49/94/171364994.db2.gz ODNQDGFDPIUJTI-UHFFFAOYSA-N 0 3 290.285 2.443 10 0 CEAEHN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1CN ZINC000022171562 171368077 /nfs/dbraw/zinc/36/80/77/171368077.db2.gz ULZMUNYPWKCQTH-AAEUAGOBSA-N 0 3 282.409 2.002 10 0 CEAEHN CCN(CC)[C@H](CN)c1cnn(-c2ccccc2)c1 ZINC000022174854 171369939 /nfs/dbraw/zinc/36/99/39/171369939.db2.gz SVGYCLZPSWRHTR-OAHLLOKOSA-N 0 3 258.369 2.214 10 0 CEAEHN C[C@H](OCC(F)(F)F)C(=O)Nc1ccccc1CN ZINC000022212717 171374504 /nfs/dbraw/zinc/37/45/04/171374504.db2.gz AIOCBJXJODUTGP-QMMMGPOBSA-N 0 3 276.258 2.051 10 0 CEAEHN CC1CCN(C[C@@H](N)c2ccc3c(c2)OCO3)CC1 ZINC000022562906 171391492 /nfs/dbraw/zinc/39/14/92/171391492.db2.gz GHARZRGVTDKFNS-CYBMUJFWSA-N 0 3 262.353 2.147 10 0 CEAEHN CCN(c1c(CNC2CC2)c(C)nn1C)C(C)C ZINC000034824695 171878550 /nfs/dbraw/zinc/87/85/50/171878550.db2.gz HTWXOOFSMIBEBF-UHFFFAOYSA-N 0 3 250.390 2.215 10 0 CEAEHN C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000035140749 172008470 /nfs/dbraw/zinc/00/84/70/172008470.db2.gz NRUZZHRLEBERRB-QMMMGPOBSA-N 0 3 277.755 2.465 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ccccc21)C(=O)N1CCCC1 ZINC000035180663 172034454 /nfs/dbraw/zinc/03/44/54/172034454.db2.gz DTFBXTVMGWKHID-DOMZBBRYSA-N 0 3 258.365 2.274 10 0 CEAEHN COC(=O)c1c2c(sc1NC(=O)C=C(C)C)CNCC2 ZINC000035216890 172057550 /nfs/dbraw/zinc/05/75/50/172057550.db2.gz SACQOYJIZWPJGC-UHFFFAOYSA-N 0 3 294.376 2.085 10 0 CEAEHN N[C@H](Cc1ncc[nH]1)c1ccc(Br)s1 ZINC000035382278 172164850 /nfs/dbraw/zinc/16/48/50/172164850.db2.gz ZZSWEVDBCBXFRX-ZCFIWIBFSA-N 0 3 272.171 2.476 10 0 CEAEHN CCCN(CCC)c1nc2sccn2c1CN ZINC000035429744 172197873 /nfs/dbraw/zinc/19/78/73/172197873.db2.gz GWOAGXGBLXNCFS-UHFFFAOYSA-N 0 3 252.387 2.481 10 0 CEAEHN CCCCN(C)c1nc2sccn2c1CNC ZINC000035429772 172197917 /nfs/dbraw/zinc/19/79/17/172197917.db2.gz YZECTIZRZHASDY-UHFFFAOYSA-N 0 3 252.387 2.352 10 0 CEAEHN CC(C)N(C)c1nc2sccn2c1CNC1CC1 ZINC000035429816 172198591 /nfs/dbraw/zinc/19/85/91/172198591.db2.gz XNYKMCPPXQVDFI-UHFFFAOYSA-N 0 3 264.398 2.492 10 0 CEAEHN N[C@H]1CC(=O)N(c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000035679688 172350513 /nfs/dbraw/zinc/35/05/13/172350513.db2.gz GMRFBKXJFHGCQH-ZETCQYMHSA-N 0 3 278.661 2.423 10 0 CEAEHN C[C@H]1CS(=O)(=O)c2ccc(C(C)(C)C)cc2[C@@H]1N ZINC000035755768 172396434 /nfs/dbraw/zinc/39/64/34/172396434.db2.gz SMXCFSTYSGJFKG-TVQRCGJNSA-N 0 3 267.394 2.407 10 0 CEAEHN CCCN[C@H]1c2ccccc2S(=O)(=O)C[C@H]1C ZINC000035760569 172398299 /nfs/dbraw/zinc/39/82/99/172398299.db2.gz ISKFIMWZJJOQOG-ZWNOBZJWSA-N 0 3 253.367 2.151 10 0 CEAEHN CCCN[C@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760608 172398753 /nfs/dbraw/zinc/39/87/53/172398753.db2.gz AWKIWZPLHYTMNA-PWSUYJOCSA-N 0 3 253.367 2.293 10 0 CEAEHN C[C@H]1CCC[C@H](C(=O)Nc2ccc(N(C)C)cc2)N1 ZINC000036335644 172618343 /nfs/dbraw/zinc/61/83/43/172618343.db2.gz VVVXMSJIVWIELM-SMDDNHRTSA-N 0 3 261.369 2.222 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1ccc(C)c(C)c1 ZINC000037180181 173013013 /nfs/dbraw/zinc/01/30/13/173013013.db2.gz ALCIAIOAADTRPG-CVEARBPZSA-N 0 3 262.397 2.414 10 0 CEAEHN Cc1ncsc1[C@H](C)N[C@@H]1CN2CCC1CC2 ZINC000037211767 173033630 /nfs/dbraw/zinc/03/36/30/173033630.db2.gz VNLVQOYPKORQQI-CMPLNLGQSA-N 0 3 251.399 2.196 10 0 CEAEHN C[C@H](N[C@H]1CCS(=O)(=O)c2ccccc21)C1CC1 ZINC000037259310 173069157 /nfs/dbraw/zinc/06/91/57/173069157.db2.gz RCJKLZDUYUEINR-GWCFXTLKSA-N 0 3 265.378 2.293 10 0 CEAEHN Cc1nc2sccn2c1CN[C@@H]1CCC[C@@H](O)C1 ZINC000037321074 173121883 /nfs/dbraw/zinc/12/18/83/173121883.db2.gz DMUSPNCTUDJDIB-GHMZBOCLSA-N 0 3 265.382 2.097 10 0 CEAEHN CCCOc1cccc(CNCCC(=O)OC)c1 ZINC000038038275 174038535 /nfs/dbraw/zinc/03/85/35/174038535.db2.gz POJSFJPHMAXJFZ-UHFFFAOYSA-N 0 3 251.326 2.128 10 0 CEAEHN CC(C)[C@H](NCCCS(C)(=O)=O)c1cccs1 ZINC000038047640 174058185 /nfs/dbraw/zinc/05/81/85/174058185.db2.gz MMEPIUFAZHPOTF-LBPRGKRZSA-N 0 3 275.439 2.470 10 0 CEAEHN CC[C@H](C)N[C@@]1(C(N)=O)CCCCc2ccccc21 ZINC000038065343 174075896 /nfs/dbraw/zinc/07/58/96/174075896.db2.gz VEASFQJGCJOAAP-LRDDRELGSA-N 0 3 260.381 2.482 10 0 CEAEHN Cc1csc2nc(C)c(CNC[C@@H](C)N(C)C)n12 ZINC000038087563 174099845 /nfs/dbraw/zinc/09/98/45/174099845.db2.gz YSBZTBUROJJNDO-SECBINFHSA-N 0 3 266.414 2.052 10 0 CEAEHN CC(C)CN(CCN(C)C)C(=O)[C@@H]1Cc2ccccc2N1 ZINC000040468689 174276963 /nfs/dbraw/zinc/27/69/63/174276963.db2.gz WESRCQHRZWDSJU-INIZCTEOSA-N 0 3 289.423 2.069 10 0 CEAEHN CCN1CCC[C@H](NCc2c(C)nc3sccn23)C1 ZINC000040502785 174298635 /nfs/dbraw/zinc/29/86/35/174298635.db2.gz HBWNJIIROWAWJE-LBPRGKRZSA-N 0 3 278.425 2.278 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519103 174308634 /nfs/dbraw/zinc/30/86/34/174308634.db2.gz UQULMPPOCQELNV-PSASIEDQSA-N 0 3 255.387 2.065 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc3ccccc3c2)C1 ZINC000040632818 174358972 /nfs/dbraw/zinc/35/89/72/174358972.db2.gz CXHJWEJTUKVPOR-GJZGRUSLSA-N 0 3 270.332 2.155 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)[C@@H]1C[C@@H](OC)CN1 ZINC000040634289 174360348 /nfs/dbraw/zinc/36/03/48/174360348.db2.gz RLHFVSPWWPZNFU-OCCSQVGLSA-N 0 3 292.379 2.099 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@@H]1C[C@H](OC)CN1 ZINC000040634320 174360619 /nfs/dbraw/zinc/36/06/19/174360619.db2.gz YARVEEGCFRRLEJ-JQWIXIFHSA-N 0 3 280.393 2.114 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3ccccc3)c(C)[nH]2)C1 ZINC000040637910 174361803 /nfs/dbraw/zinc/36/18/03/174361803.db2.gz PKQUYUGRFRXHGZ-CHWSQXEVSA-N 0 3 257.337 2.435 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3ccc(C)s3)c[nH]2)C1 ZINC000040637793 174362122 /nfs/dbraw/zinc/36/21/22/174362122.db2.gz GAISLGUOGJXHNQ-ZJUUUORDSA-N 0 3 263.366 2.496 10 0 CEAEHN C[C@H](NC(C)(C)C(N)=O)c1cccc(Br)c1 ZINC000040674053 174372026 /nfs/dbraw/zinc/37/20/26/174372026.db2.gz FPUVQNSUMVCDKU-QMMMGPOBSA-N 0 3 285.185 2.364 10 0 CEAEHN CC(C)(N[C@@H](c1ccc(F)cc1)C1CC1)C(N)=O ZINC000040674725 174373461 /nfs/dbraw/zinc/37/34/61/174373461.db2.gz YYBDPJZAWSRZLW-GFCCVEGCSA-N 0 3 250.317 2.130 10 0 CEAEHN CCNCc1c(C)nn(C)c1Oc1ccc(CO)cc1 ZINC000040711251 174381310 /nfs/dbraw/zinc/38/13/10/174381310.db2.gz XMGMFSNOPBTVJH-UHFFFAOYSA-N 0 3 275.352 2.123 10 0 CEAEHN CN1CCC[C@@H](Nc2ccc(N)c3ncccc23)C1 ZINC000040715779 174382672 /nfs/dbraw/zinc/38/26/72/174382672.db2.gz DDZRQQUBFILBFC-LLVKDONJSA-N 0 3 256.353 2.323 10 0 CEAEHN CCCOc1ccc([C@@H](N)Cn2cnc(C)cc2=O)cc1 ZINC000040728055 174387702 /nfs/dbraw/zinc/38/77/02/174387702.db2.gz RRFKIGIQDWVPAV-HNNXBMFYSA-N 0 3 287.363 2.041 10 0 CEAEHN N[C@@H](CC(=O)Nc1ccc(CCO)cc1)c1ccccc1 ZINC000040739207 174390041 /nfs/dbraw/zinc/39/00/41/174390041.db2.gz YWELXJQLUCASMP-INIZCTEOSA-N 0 3 284.359 2.250 10 0 CEAEHN Cc1csc(NC[C@@H](C(C)C)N2CCN(C)CC2)n1 ZINC000040770408 174399940 /nfs/dbraw/zinc/39/99/40/174399940.db2.gz OWEODSOQRQSKOW-ZDUSSCGKSA-N 0 3 282.457 2.135 10 0 CEAEHN CC[C@H](NC(=O)C(C)(C)N1CCNCC1)C1CCCCC1 ZINC000129728393 414813571 /nfs/dbraw/zinc/81/35/71/414813571.db2.gz XKWICOIGSCPPBJ-HNNXBMFYSA-N 0 3 295.471 2.145 10 0 CEAEHN CN(C(=O)c1ccc(Cl)s1)[C@H](CN)C(F)(F)F ZINC000662976758 414816283 /nfs/dbraw/zinc/81/62/83/414816283.db2.gz QFICERZBMJJYGS-ZCFIWIBFSA-N 0 3 286.706 2.363 10 0 CEAEHN CCOc1ccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)cc1 ZINC000662978184 414817026 /nfs/dbraw/zinc/81/70/26/414817026.db2.gz YXLVHZDFEOXAGZ-NSHDSACASA-N 0 3 290.285 2.047 10 0 CEAEHN Cc1cc(F)cc(C(=O)N(C)[C@@H](CN)C(F)(F)F)c1 ZINC000662982526 414818643 /nfs/dbraw/zinc/81/86/43/414818643.db2.gz ZFKZLBWROKNFCE-JTQLQIEISA-N 0 3 278.249 2.096 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2ccc(F)c(F)c2F)C1 ZINC000657325754 414859824 /nfs/dbraw/zinc/85/98/24/414859824.db2.gz KQTNYJBLISOTQW-VHSXEESVSA-N 0 3 259.271 2.497 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1CCn1cc(Cl)cn1 ZINC000312221646 414862699 /nfs/dbraw/zinc/86/26/99/414862699.db2.gz BDNNEMMKXJHAPF-LSDHHAIUSA-N 0 3 296.846 2.485 10 0 CEAEHN CC(C)Oc1ncccc1CNC[C@H](O)C(C)(C)C ZINC000311952276 414862753 /nfs/dbraw/zinc/86/27/53/414862753.db2.gz MYQZHBJKKTYXRC-ZDUSSCGKSA-N 0 3 266.385 2.365 10 0 CEAEHN Cc1ncc(CN[C@@H](C)COCc2ccccc2)n1C ZINC000657378876 414898991 /nfs/dbraw/zinc/89/89/91/414898991.db2.gz NKDVZDPDBLQHTK-ZDUSSCGKSA-N 0 3 273.380 2.423 10 0 CEAEHN CCC1CCN(c2nc3sccn3c2CN)CC1 ZINC000042447185 174741573 /nfs/dbraw/zinc/74/15/73/174741573.db2.gz SPVJJUCMIOOFQQ-UHFFFAOYSA-N 0 3 264.398 2.481 10 0 CEAEHN NC[C@@H](Oc1ccccc1C(N)=O)c1cccc(F)c1 ZINC000042973846 174937177 /nfs/dbraw/zinc/93/71/77/174937177.db2.gz AQRICISCRQENCV-CQSZACIVSA-N 0 3 274.295 2.003 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@H](OC2CCC2)C1 ZINC000653812034 415114969 /nfs/dbraw/zinc/11/49/69/415114969.db2.gz ADJHVQPLJSVWHB-ZBFHGGJFSA-N 0 3 285.428 2.198 10 0 CEAEHN CC(C)(C)c1ccc([C@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000043299991 175000806 /nfs/dbraw/zinc/00/08/06/175000806.db2.gz BEXQOPQVZFDAOO-JSGCOSHPSA-N 0 3 281.421 2.419 10 0 CEAEHN C[C@@H](N)[C@H](c1ccco1)N(C)CCc1ccccn1 ZINC000043334606 175010487 /nfs/dbraw/zinc/01/04/87/175010487.db2.gz HQDSWRCYBVMNSU-IUODEOHRSA-N 0 3 259.353 2.237 10 0 CEAEHN Cc1nc2ccccc2n1[C@@H](CN)c1ccccn1 ZINC000043341346 175015298 /nfs/dbraw/zinc/01/52/98/175015298.db2.gz HNLWHFKRBPNWHQ-HNNXBMFYSA-N 0 3 252.321 2.288 10 0 CEAEHN COc1ccccc1CN(C)[C@@H](CN)c1ccncc1 ZINC000043354039 175021574 /nfs/dbraw/zinc/02/15/74/175021574.db2.gz JUCPBUKNQBZOPC-HNNXBMFYSA-N 0 3 271.364 2.222 10 0 CEAEHN NC[C@H](OCCCc1ccncc1)c1ccncc1 ZINC000043356060 175023456 /nfs/dbraw/zinc/02/34/56/175023456.db2.gz NEIGLQVFFKUASS-HNNXBMFYSA-N 0 3 257.337 2.126 10 0 CEAEHN Cc1cc(C)cc([C@@H](CN)N2CCSCC2)c1 ZINC000043393949 175034814 /nfs/dbraw/zinc/03/48/14/175034814.db2.gz XTXDECQGDIRQAV-CQSZACIVSA-N 0 3 250.411 2.352 10 0 CEAEHN CCN(CC)CC[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000043476828 175054670 /nfs/dbraw/zinc/05/46/70/175054670.db2.gz ZLIUTIXEOVULAX-UHFFFAOYSA-N 0 3 256.777 2.477 10 0 CEAEHN CC[NH+](CC)CCNCc1ccc([O-])c(Cl)c1 ZINC000043476828 175054671 /nfs/dbraw/zinc/05/46/71/175054671.db2.gz ZLIUTIXEOVULAX-UHFFFAOYSA-N 0 3 256.777 2.477 10 0 CEAEHN CN[C@@H](CN1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000043813979 175111843 /nfs/dbraw/zinc/11/18/43/175111843.db2.gz TYSDLSMQZIWESZ-AWEZNQCLSA-N 0 3 276.380 2.204 10 0 CEAEHN CCCN[C@H](CN(C)C)c1ccc(OC)cc1OC ZINC000043816177 175112565 /nfs/dbraw/zinc/11/25/65/175112565.db2.gz XABMSZRJDSJHGP-CQSZACIVSA-N 0 3 266.385 2.306 10 0 CEAEHN CN[C@@H](CN1CCOC[C@@H]1C)c1cc2ccccc2o1 ZINC000043891249 175118242 /nfs/dbraw/zinc/11/82/42/175118242.db2.gz DRIPNYMKKQPOHD-JSGCOSHPSA-N 0 3 274.364 2.414 10 0 CEAEHN CN[C@H](CN(C)Cc1cccnc1)c1ccccc1OC ZINC000043893415 175118387 /nfs/dbraw/zinc/11/83/87/175118387.db2.gz YSQZBSCIXMBYOI-MRXNPFEDSA-N 0 3 285.391 2.483 10 0 CEAEHN CN[C@H](CN(C)CC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000043900612 175121710 /nfs/dbraw/zinc/12/17/10/175121710.db2.gz KOPXQMVBTARHDK-SNVBAGLBSA-N 0 3 290.285 2.170 10 0 CEAEHN CCN[C@H](CN1CCOCC1(C)C)c1cccc(OC)c1 ZINC000043917053 175125759 /nfs/dbraw/zinc/12/57/59/175125759.db2.gz SRZGSVMJPNUKKP-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@H](CN(CC)CCOC)c1ccccc1OC ZINC000043968624 175130010 /nfs/dbraw/zinc/13/00/10/175130010.db2.gz WPXAACULBVFCLY-OAHLLOKOSA-N 0 3 280.412 2.314 10 0 CEAEHN Cc1cc(N)ccc1C(=O)NC[C@H](C)N1CCCCC1 ZINC000044748910 175244295 /nfs/dbraw/zinc/24/42/95/175244295.db2.gz CUHJKWZMPFAVMN-ZDUSSCGKSA-N 0 3 275.396 2.181 10 0 CEAEHN NC[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000044795299 175254841 /nfs/dbraw/zinc/25/48/41/175254841.db2.gz NOGHGKHOJVSXLN-AWEZNQCLSA-N 0 3 254.333 2.443 10 0 CEAEHN CCCN(C(=O)[C@H](CN)Cc1ccccc1)C1CC1 ZINC000044800499 175255633 /nfs/dbraw/zinc/25/56/33/175255633.db2.gz PZUZULNRBRNBSD-AWEZNQCLSA-N 0 3 260.381 2.205 10 0 CEAEHN CC1(NS(=O)(=O)c2cccc(CN)c2)CCCCC1 ZINC000045046337 175295984 /nfs/dbraw/zinc/29/59/84/175295984.db2.gz XTTJAGKEMVTNNQ-UHFFFAOYSA-N 0 3 282.409 2.146 10 0 CEAEHN CC1(NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCC1 ZINC000045046971 175296171 /nfs/dbraw/zinc/29/61/71/175296171.db2.gz VNZJWRKKYWGDME-AWEZNQCLSA-N 0 3 276.380 2.101 10 0 CEAEHN C[C@@H](CNC1=NC[C@H](c2ccccc2)S1)N(C)C ZINC000045108731 175308943 /nfs/dbraw/zinc/30/89/43/175308943.db2.gz DJOGOWISPFTNJH-WCQYABFASA-N 0 3 263.410 2.370 10 0 CEAEHN C[C@H](CNC(=O)[C@H]1C[C@@H](C)Nc2ccccc21)N(C)C ZINC000045109890 175309324 /nfs/dbraw/zinc/30/93/24/175309324.db2.gz XXKNQLWZVIUXMC-BZPMIXESSA-N 0 3 275.396 2.041 10 0 CEAEHN CC[C@H](C)NC(=O)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000045171872 175320875 /nfs/dbraw/zinc/32/08/75/175320875.db2.gz PPLSERNSKPXYJD-RYUDHWBXSA-N 0 3 294.443 2.475 10 0 CEAEHN CCCCN(C)C[C@](C)(NCCC)C(=O)OCC ZINC000045222068 175330516 /nfs/dbraw/zinc/33/05/16/175330516.db2.gz FWSMZEOUXFNVCI-AWEZNQCLSA-N 0 3 258.406 2.040 10 0 CEAEHN CCCN[C@@](C)(CN1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045224519 175332897 /nfs/dbraw/zinc/33/28/97/175332897.db2.gz RHGBSBOGRRAGMV-LZWOXQAQSA-N 0 3 284.444 2.286 10 0 CEAEHN CCCN(CCC)C[C@@](NCC)(C(N)=O)c1ccccc1 ZINC000045230237 175334183 /nfs/dbraw/zinc/33/41/83/175334183.db2.gz JZZCXINJRPWISJ-KRWDZBQOSA-N 0 3 291.439 2.099 10 0 CEAEHN CCOC(=O)[C@@](N)(CN(CC)C(C)C)c1ccccc1 ZINC000045265372 175338305 /nfs/dbraw/zinc/33/83/05/175338305.db2.gz IVVHLVMFFBRLFT-MRXNPFEDSA-N 0 3 278.396 2.134 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](CCC)C(C)C)C(=O)[O-] ZINC000045266868 175339310 /nfs/dbraw/zinc/33/93/10/175339310.db2.gz LPUOQLDSHWUWLY-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](CCC)C(C)C)C(=O)[O-] ZINC000045266868 175339311 /nfs/dbraw/zinc/33/93/11/175339311.db2.gz LPUOQLDSHWUWLY-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(CCC)C(C)C)C(=O)[O-] ZINC000045266868 175339312 /nfs/dbraw/zinc/33/93/12/175339312.db2.gz LPUOQLDSHWUWLY-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(CCC)C1CC1)C(=O)[O-] ZINC000045267942 175340174 /nfs/dbraw/zinc/34/01/74/175340174.db2.gz VSUGHNMDJNNKIB-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCCCN(C)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045268194 175340650 /nfs/dbraw/zinc/34/06/50/175340650.db2.gz ZAPWLAQNFAGWOA-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)CC(C)(C)C)NC1CC1 ZINC000045279354 175349114 /nfs/dbraw/zinc/34/91/14/175349114.db2.gz SAZFSJFVDGQWKG-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN C[N@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])CC1CCCCC1 ZINC000045281620 175352592 /nfs/dbraw/zinc/35/25/92/175352592.db2.gz IQJVDMVFMZASPM-MRXNPFEDSA-N 0 3 282.428 2.484 10 0 CEAEHN C[N@@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])CC1CCCCC1 ZINC000045281620 175352593 /nfs/dbraw/zinc/35/25/93/175352593.db2.gz IQJVDMVFMZASPM-MRXNPFEDSA-N 0 3 282.428 2.484 10 0 CEAEHN CN(CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])CC1CCCCC1 ZINC000045281620 175352595 /nfs/dbraw/zinc/35/25/95/175352595.db2.gz IQJVDMVFMZASPM-MRXNPFEDSA-N 0 3 282.428 2.484 10 0 CEAEHN CCCN[C@H](CN(CC)C1CCCC1)C(=O)OCC ZINC000045390348 175375032 /nfs/dbraw/zinc/37/50/32/175375032.db2.gz BTHNYECNMLVRAW-CQSZACIVSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN[C@H](CN(C)C1CCCCCC1)C(=O)OC ZINC000045419087 175377433 /nfs/dbraw/zinc/37/74/33/175377433.db2.gz MEFDZHFCHBCXFM-CQSZACIVSA-N 0 3 270.417 2.182 10 0 CEAEHN CCNCc1ccc(OC)cc1O[C@@H](C)COC ZINC000070375562 175899674 /nfs/dbraw/zinc/89/96/74/175899674.db2.gz SKLHXKHCSDBJEU-NSHDSACASA-N 0 3 253.342 2.218 10 0 CEAEHN NCc1ccn(Cc2ccc(Br)cc2)n1 ZINC000070708166 176002678 /nfs/dbraw/zinc/00/26/78/176002678.db2.gz DUQUFYVBMALBCQ-UHFFFAOYSA-N 0 3 266.142 2.153 10 0 CEAEHN C[C@@H](N)c1csc(N(C)Cc2cscn2)n1 ZINC000070845816 176008884 /nfs/dbraw/zinc/00/88/84/176008884.db2.gz CHGAXYXARGYLSE-SSDOTTSWSA-N 0 3 254.384 2.256 10 0 CEAEHN CCN(CCC(=O)OC)C[C@@H]1OCCc2ccccc21 ZINC000071030870 176021916 /nfs/dbraw/zinc/02/19/16/176021916.db2.gz QAFZLOUYLBCSRG-HNNXBMFYSA-N 0 3 277.364 2.185 10 0 CEAEHN C[C@@H](c1ccccc1)N1CCC[C@H](NC2CC2)C1=O ZINC000071032696 176023685 /nfs/dbraw/zinc/02/36/85/176023685.db2.gz HZSJSORIBVDVBE-WFASDCNBSA-N 0 3 258.365 2.491 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc(F)cc1Cl ZINC000071032506 176023767 /nfs/dbraw/zinc/02/37/67/176023767.db2.gz OXOKFEQERSAYCJ-NSHDSACASA-N 0 3 268.719 2.336 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccccc1Cl ZINC000071033247 176023787 /nfs/dbraw/zinc/02/37/87/176023787.db2.gz UDWPOXWXBDSXSC-LLVKDONJSA-N 0 3 250.729 2.197 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc2c(c1)CCC2 ZINC000071037842 176026667 /nfs/dbraw/zinc/02/66/67/176026667.db2.gz FISVMTQZWGVVCI-OAHLLOKOSA-N 0 3 256.349 2.033 10 0 CEAEHN CCN[C@@H]1CCN(c2ccc(Cl)cc2C)C1=O ZINC000071038581 176026996 /nfs/dbraw/zinc/02/69/96/176026996.db2.gz UDXWGIKWUNFIQJ-LLVKDONJSA-N 0 3 252.745 2.363 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1CCC1CCCCC1 ZINC000071041404 176027986 /nfs/dbraw/zinc/02/79/86/176027986.db2.gz SJUMSLMXNLIIGM-AWEZNQCLSA-N 0 3 250.386 2.310 10 0 CEAEHN C[C@H](C1CCCCC1)N1CC[C@H](NC2CC2)C1=O ZINC000071043100 176028978 /nfs/dbraw/zinc/02/89/78/176028978.db2.gz UCPVKZRFVKGTRQ-RISCZKNCSA-N 0 3 250.386 2.308 10 0 CEAEHN OC[C@H]1CCCN(C[C@@H]2OCCc3ccccc32)C1 ZINC000071098212 176032408 /nfs/dbraw/zinc/03/24/08/176032408.db2.gz GZVVQOMJHYUYSV-BBRMVZONSA-N 0 3 261.365 2.005 10 0 CEAEHN C[C@@H]1CCC[C@H](N(CC(N)=O)Cc2cccc(N)c2)C1 ZINC000071150521 176045056 /nfs/dbraw/zinc/04/50/56/176045056.db2.gz LNCJUSDLAQFNAT-DOMZBBRYSA-N 0 3 275.396 2.135 10 0 CEAEHN C[C@@H]1CCC[C@H](N(CC(N)=O)Cc2ccccc2N)C1 ZINC000071150537 176045262 /nfs/dbraw/zinc/04/52/62/176045262.db2.gz QOBFFVVYLAJBFX-OCCSQVGLSA-N 0 3 275.396 2.135 10 0 CEAEHN CC(C)NCc1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071182839 176058190 /nfs/dbraw/zinc/05/81/90/176058190.db2.gz IXBSAVHPCNWLJP-AWEZNQCLSA-N 0 3 296.798 2.448 10 0 CEAEHN C[C@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1F ZINC000071207297 176080780 /nfs/dbraw/zinc/08/07/80/176080780.db2.gz YFUSXMJCEMMTCM-ZANVPECISA-N 0 3 250.317 2.203 10 0 CEAEHN CCC[C@H](CC)NS(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071244437 176094715 /nfs/dbraw/zinc/09/47/15/176094715.db2.gz XBVMQZXAAZDUOA-NSHDSACASA-N 0 3 288.388 2.141 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(NCCc2ccccc2)C1 ZINC000071335180 176127010 /nfs/dbraw/zinc/12/70/10/176127010.db2.gz BKQLKNJEJGVPBW-UHFFFAOYSA-N 0 3 276.380 2.438 10 0 CEAEHN Cc1ccc(N)c(CN2CCN(CC3CC3)CC2)c1 ZINC000071383804 176147082 /nfs/dbraw/zinc/14/70/82/176147082.db2.gz UHXCZPHIDYIHTD-UHFFFAOYSA-N 0 3 259.397 2.105 10 0 CEAEHN Cc1ccc(N)c(CN2CCN(C(C)(C)C)CC2)c1 ZINC000071383770 176147197 /nfs/dbraw/zinc/14/71/97/176147197.db2.gz IPONIPFEZSYBKB-UHFFFAOYSA-N 0 3 261.413 2.493 10 0 CEAEHN CNCc1cc(C)ccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000071403651 176155049 /nfs/dbraw/zinc/15/50/49/176155049.db2.gz IXJQYJBVXCMFFT-LBPRGKRZSA-N 0 3 278.396 2.396 10 0 CEAEHN CCCNC(=O)COc1ccc(C)cc1CNCC ZINC000071406121 176155844 /nfs/dbraw/zinc/15/58/44/176155844.db2.gz POUAZBAOASDKFT-UHFFFAOYSA-N 0 3 264.369 2.010 10 0 CEAEHN c1csc([C@@H]2CCCCN2C[C@@H]2CCC3(CNC3)O2)n1 ZINC000662260290 415728987 /nfs/dbraw/zinc/72/89/87/415728987.db2.gz KNAAJEJRWCKMPI-STQMWFEESA-N 0 3 293.436 2.191 10 0 CEAEHN COc1ccc(N[C@@H]2CCCN(C)C2)c(OC)c1 ZINC000075192257 176672378 /nfs/dbraw/zinc/67/23/78/176672378.db2.gz KZQYXUKYMLWKGL-LLVKDONJSA-N 0 3 250.342 2.210 10 0 CEAEHN CC[C@H](C)N(Cc1ccc(OC)c(C)c1)C(=O)CN ZINC000076680171 177057808 /nfs/dbraw/zinc/05/78/08/177057808.db2.gz ZBSJTXIYCXSJOG-LBPRGKRZSA-N 0 3 264.369 2.089 10 0 CEAEHN CC[C@@H](C)N(Cc1ccc(OC)c(C)c1)C(=O)CN ZINC000076680169 177057994 /nfs/dbraw/zinc/05/79/94/177057994.db2.gz ZBSJTXIYCXSJOG-GFCCVEGCSA-N 0 3 264.369 2.089 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000392906073 270341168 /nfs/dbraw/zinc/34/11/68/270341168.db2.gz RNJPJHHULWDXAS-SKDRFNHKSA-N 0 3 286.297 2.462 10 0 CEAEHN CC[C@](C)(O)CN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396483231 270349417 /nfs/dbraw/zinc/34/94/17/270349417.db2.gz MXRJQVLRLUUPLC-WBVHZDCISA-N 0 3 276.424 2.354 10 0 CEAEHN Brc1cccc2ccc(N3CCNCC3)nc12 ZINC000058020072 273476229 /nfs/dbraw/zinc/47/62/29/273476229.db2.gz BSHYLYRHKLYWCF-UHFFFAOYSA-N 0 3 292.180 2.407 10 0 CEAEHN c1ccc(CNC[C@@H]2Cc3ccccc3CN2)cc1 ZINC000022867140 275067385 /nfs/dbraw/zinc/06/73/85/275067385.db2.gz SQEFOVHLFDGELY-KRWDZBQOSA-N 0 3 252.361 2.491 10 0 CEAEHN CC1(C)CCCN[C@@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000232824429 275815175 /nfs/dbraw/zinc/81/51/75/275815175.db2.gz UIDCPZBPRYWRRQ-TZMCWYRMSA-N 0 3 274.364 2.015 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1ccc(Cl)nc1)N(C)C ZINC000134360662 276281269 /nfs/dbraw/zinc/28/12/69/276281269.db2.gz KBJHRRSDRFOKDH-GFCCVEGCSA-N 0 3 283.803 2.424 10 0 CEAEHN CCN(CC)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116211462 276321752 /nfs/dbraw/zinc/32/17/52/276321752.db2.gz ZPUGWLRORFIYSJ-GFCCVEGCSA-N 0 3 250.342 2.285 10 0 CEAEHN CCOc1cccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000247482253 276379284 /nfs/dbraw/zinc/37/92/84/276379284.db2.gz STYDSPJUNSFPJE-UKRRQHHQSA-N 0 3 288.391 2.394 10 0 CEAEHN CC[C@@H](O)CN1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000254976994 276444921 /nfs/dbraw/zinc/44/49/21/276444921.db2.gz ABFFCXAMHMORCU-CWIOURORSA-N 0 3 292.398 2.227 10 0 CEAEHN CC(F)(F)CCN1CCOCC2(CCOCC2)C1 ZINC000336257522 278160781 /nfs/dbraw/zinc/16/07/81/278160781.db2.gz LUDDCOLPHUSVJH-UHFFFAOYSA-N 0 3 263.328 2.161 10 0 CEAEHN CC(C)(C(=O)N1CCN2CCC[C@H]2C1)c1cccc(F)c1 ZINC000172515803 278264531 /nfs/dbraw/zinc/26/45/31/278264531.db2.gz NSXHKRFTLALUFT-HNNXBMFYSA-N 0 3 290.382 2.410 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000245434208 279300520 /nfs/dbraw/zinc/30/05/20/279300520.db2.gz RCHHFVNXPFWNOA-LSDHHAIUSA-N 0 3 292.427 2.004 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC000175608232 279321968 /nfs/dbraw/zinc/32/19/68/279321968.db2.gz QMHQYXFALWYWFN-VDZJLULYSA-N 0 3 298.430 2.491 10 0 CEAEHN C[C@H](Cn1cccn1)N[C@H]1CCOc2ccccc21 ZINC000037155075 279387997 /nfs/dbraw/zinc/38/79/97/279387997.db2.gz FTFRQPOJHMGWHB-OCCSQVGLSA-N 0 3 257.337 2.385 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000180602315 279522154 /nfs/dbraw/zinc/52/21/54/279522154.db2.gz DLKRYBPDCKNOMY-TVQRCGJNSA-N 0 3 278.306 2.222 10 0 CEAEHN Cc1cccc(CNC(=O)N[C@H](CC(C)C)CN(C)C)n1 ZINC000080085298 279689672 /nfs/dbraw/zinc/68/96/72/279689672.db2.gz NHTDUZOYSPQPBA-OAHLLOKOSA-N 0 3 292.427 2.166 10 0 CEAEHN CC(C)[C@@H]1N(C(=O)C23CCCN2CCC3)C[C@@]12CCCO2 ZINC000334613299 280040411 /nfs/dbraw/zinc/04/04/11/280040411.db2.gz PDZPHXGHIQLNSJ-YOEHRIQHSA-N 0 3 292.423 2.031 10 0 CEAEHN CC(C)[C@@H]1N(C(=O)C23CCCN2CCC3)C[C@]12CCCO2 ZINC000334613297 280040559 /nfs/dbraw/zinc/04/05/59/280040559.db2.gz PDZPHXGHIQLNSJ-WMLDXEAASA-N 0 3 292.423 2.031 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000182190812 280218261 /nfs/dbraw/zinc/21/82/61/280218261.db2.gz AGPQZHLSJVPPLI-MJBXVCDLSA-N 0 3 267.417 2.157 10 0 CEAEHN CC(C)CCC[C@@H](C)NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000245450359 280240887 /nfs/dbraw/zinc/24/08/87/280240887.db2.gz OMXXCYYOLALACC-CVEARBPZSA-N 0 3 295.471 2.097 10 0 CEAEHN CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245717021 280257923 /nfs/dbraw/zinc/25/79/23/280257923.db2.gz CZJLZEXCUXBXAI-OCCSQVGLSA-N 0 3 288.391 2.263 10 0 CEAEHN CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000245717021 280257924 /nfs/dbraw/zinc/25/79/24/280257924.db2.gz CZJLZEXCUXBXAI-OCCSQVGLSA-N 0 3 288.391 2.263 10 0 CEAEHN CC[C@H](NC(=O)N(C)C[C@H]1CCCN1CC)[C@@H]1CCCO1 ZINC000245860371 280262800 /nfs/dbraw/zinc/26/28/00/280262800.db2.gz DFDYNISRIADGGJ-ILXRZTDVSA-N 0 3 297.443 2.070 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCCC2(C)C)C1 ZINC000246554076 280300768 /nfs/dbraw/zinc/30/07/68/280300768.db2.gz WFROSAUYJQHLLV-CHWSQXEVSA-N 0 3 267.417 2.299 10 0 CEAEHN CCc1ncc(C(=O)N2C[C@H]3CCCN3C[C@H]2CC)s1 ZINC000246864872 280312664 /nfs/dbraw/zinc/31/26/64/280312664.db2.gz DNGJBMPINGJIPB-VXGBXAGGSA-N 0 3 293.436 2.404 10 0 CEAEHN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)C[C@H]1CCOC1 ZINC000247081342 280320045 /nfs/dbraw/zinc/32/00/45/280320045.db2.gz PFKVPDOACGAUGO-RRFJBIMHSA-N 0 3 290.407 2.221 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000249131337 280385637 /nfs/dbraw/zinc/38/56/37/280385637.db2.gz FDKRHKCIIYAFKM-ZIAGYGMSSA-N 0 3 297.443 2.070 10 0 CEAEHN CCC[C@H](C(=O)N1CCN(C2CCCCC2)CC1)N(C)C ZINC000157966615 289226003 /nfs/dbraw/zinc/22/60/03/289226003.db2.gz FBHLPKCEOYLARH-MRXNPFEDSA-N 0 3 295.471 2.194 10 0 CEAEHN COc1ccc(O)cc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000188803488 295169756 /nfs/dbraw/zinc/16/97/56/295169756.db2.gz YICMTBKQGUTZJH-GFCCVEGCSA-N 0 3 294.395 2.107 10 0 CEAEHN NC[C@H](C(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000178566394 295261272 /nfs/dbraw/zinc/26/12/72/295261272.db2.gz RYRXBUBGWJROLP-XHSDSOJGSA-N 0 3 272.392 2.378 10 0 CEAEHN N[C@H](CO)c1cc(Cl)ccc1Br ZINC000072199128 295332043 /nfs/dbraw/zinc/33/20/43/295332043.db2.gz PBDZJYYIEXHHKS-MRVPVSSYSA-N 0 3 250.523 2.095 10 0 CEAEHN CSCCCNCC(=O)Nc1cccc(F)c1 ZINC000069446465 525476570 /nfs/dbraw/zinc/47/65/70/525476570.db2.gz OQRBUOCRANKTLI-UHFFFAOYSA-N 0 3 256.346 2.107 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)CSC(C)(C)C ZINC000113232471 300313028 /nfs/dbraw/zinc/31/30/28/300313028.db2.gz NQSLEYGLFSFFJM-NWDGAFQWSA-N 0 3 270.442 2.213 10 0 CEAEHN C[C@H]1C[C@H](NC(=O)[C@]2(C)CCCCN2)C[C@@H](C)C1 ZINC000248394642 300518792 /nfs/dbraw/zinc/51/87/92/300518792.db2.gz FRZYQXKDTKDYBH-JLNYLFASSA-N 0 3 252.402 2.460 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@]1(CN)C(F)(F)F ZINC000259289800 330381933 /nfs/dbraw/zinc/38/19/33/330381933.db2.gz VMUITAFSDWVMHR-JTQLQIEISA-N 0 3 268.279 2.277 10 0 CEAEHN CC(C)CNCc1cn(CCO[C@@H](C)CC(C)C)nn1 ZINC000052603572 519748384 /nfs/dbraw/zinc/74/83/84/519748384.db2.gz MXUWUKPIBVOZPU-AWEZNQCLSA-N 0 3 282.432 2.475 10 0 CEAEHN CCCNCc1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053451 519943784 /nfs/dbraw/zinc/94/37/84/519943784.db2.gz RALDNDVUVFOEAL-ZDUSSCGKSA-N 0 3 287.787 2.226 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OC[C@H](O)COC ZINC000069053936 519988700 /nfs/dbraw/zinc/98/87/00/519988700.db2.gz SAXFQICRCQNPSB-WCQYABFASA-N 0 3 285.359 2.272 10 0 CEAEHN CCCN[C@@H](CCN1CCC(CCC)CC1)C(=O)OC ZINC000062531162 519998960 /nfs/dbraw/zinc/99/89/60/519998960.db2.gz YENGEPHPYUBCPZ-HNNXBMFYSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@H](CCOc1cccc(C(C)C)c1)C(N)=O ZINC000062548023 520092377 /nfs/dbraw/zinc/09/23/77/520092377.db2.gz SMJHFUGAIRZAFJ-AWEZNQCLSA-N 0 3 264.369 2.042 10 0 CEAEHN CCN[C@H](CCN1CCC(C(C)(C)C)CC1)C(=O)OC ZINC000062530654 520189163 /nfs/dbraw/zinc/18/91/63/520189163.db2.gz WHELZQLWSUJXPN-CQSZACIVSA-N 0 3 284.444 2.286 10 0 CEAEHN CCN[C@H]1COc2cc(OC[C@@H]3CCCO3)ccc21 ZINC000062804720 520221280 /nfs/dbraw/zinc/22/12/80/520221280.db2.gz IMWGLHAULYAXCZ-JSGCOSHPSA-N 0 3 263.337 2.287 10 0 CEAEHN CCCCN(C)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069088932 520415993 /nfs/dbraw/zinc/41/59/93/520415993.db2.gz XXCAAEJOKKWFTB-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCCN(CCO)Cc1cccnc1NCC ZINC000052725528 520522706 /nfs/dbraw/zinc/52/27/06/520522706.db2.gz TWDJAYGBCKBKAT-UHFFFAOYSA-N 0 3 251.374 2.108 10 0 CEAEHN CCC[C@H](C)N(C)C[C@](NC)(C(=O)OCC)C1CC1 ZINC000069100234 521035810 /nfs/dbraw/zinc/03/58/10/521035810.db2.gz SYOLWKMTCSCBFY-SWLSCSKDSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCN(CCN(C)C)Cc1cc(CNCC(C)C)no1 ZINC000052544201 521656837 /nfs/dbraw/zinc/65/68/37/521656837.db2.gz ZHKHYZWQKCZLPS-UHFFFAOYSA-N 0 3 296.459 2.194 10 0 CEAEHN CC[C@@H](C)N1CCN(CC2(CO)CCCCC2)CC1 ZINC000055072903 522119658 /nfs/dbraw/zinc/11/96/58/522119658.db2.gz RUARIVILMBDXTF-OAHLLOKOSA-N 0 3 268.445 2.345 10 0 CEAEHN CN[C@@H](C)c1c(C)nn(C[C@H]2CCCCO2)c1C ZINC000054717885 522330748 /nfs/dbraw/zinc/33/07/48/522330748.db2.gz PJGBDRKQRBYWKD-GXFFZTMASA-N 0 3 251.374 2.349 10 0 CEAEHN CN[C@@H](C)c1ccccc1OC[C@H](O)C(F)(F)F ZINC000068876426 522337012 /nfs/dbraw/zinc/33/70/12/522337012.db2.gz NXBCEJVTUFTEHB-KWQFWETISA-N 0 3 263.259 2.269 10 0 CEAEHN CN[C@@H](C)c1cnc(Cc2nc(C)cs2)nc1C ZINC000055269972 522337157 /nfs/dbraw/zinc/33/71/57/522337157.db2.gz CYYALLZDSOOLML-VIFPVBQESA-N 0 3 262.382 2.421 10 0 CEAEHN CC(C)(C)NCc1nccn1CCc1ccncc1 ZINC000051015414 518767368 /nfs/dbraw/zinc/76/73/68/518767368.db2.gz HAQWAVPIZBXANB-UHFFFAOYSA-N 0 3 258.369 2.409 10 0 CEAEHN CC(C)(C)c1ccc([C@@H](N)Cn2ncccc2=O)cc1 ZINC000061402857 519048668 /nfs/dbraw/zinc/04/86/68/519048668.db2.gz NQAPQVJYIADVAI-AWEZNQCLSA-N 0 3 271.364 2.241 10 0 CEAEHN CC(C)N1C(=O)C[C@@H](N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000070293559 519665711 /nfs/dbraw/zinc/66/57/11/519665711.db2.gz BLPMEWVTIIBGOB-ZWNOBZJWSA-N 0 3 272.270 2.113 10 0 CEAEHN CC(C)CN1CCN(C[C@H]2CCCCC[C@H]2O)CC1 ZINC000055082379 519726464 /nfs/dbraw/zinc/72/64/64/519726464.db2.gz OSHKPGMSFKYWKF-HZPDHXFCSA-N 0 3 268.445 2.201 10 0 CEAEHN CC(C)NCc1nc(Cn2nnc3ccccc32)cs1 ZINC000052576776 519729170 /nfs/dbraw/zinc/72/91/70/519729170.db2.gz LOXDYLCWELBKIE-UHFFFAOYSA-N 0 3 287.392 2.434 10 0 CEAEHN CC(C)Oc1ccc([C@@H](N)CN2C[C@@H](C)CC2=O)cc1 ZINC000062816484 519781674 /nfs/dbraw/zinc/78/16/74/519781674.db2.gz DRCAZUDQYXMYNF-WFASDCNBSA-N 0 3 276.380 2.342 10 0 CEAEHN CC(C)Oc1ccc([C@@](O)(CN)C(F)(F)F)cc1 ZINC000062784663 519781742 /nfs/dbraw/zinc/78/17/42/519781742.db2.gz OPPFQEBUFIKRQW-NSHDSACASA-N 0 3 263.259 2.182 10 0 CEAEHN CC(C)[C@@]1(C)CC(=O)N(c2ccc3c(c2)CNCC3)C1=O ZINC000069052867 519808482 /nfs/dbraw/zinc/80/84/82/519808482.db2.gz WLHQXAARBSTCMF-QGZVFWFLSA-N 0 3 286.375 2.258 10 0 CEAEHN CC(C)[C@H]1CCC(=O)[C@H](CN2CCCN(C)CC2)C1 ZINC000054558922 519824526 /nfs/dbraw/zinc/82/45/26/519824526.db2.gz HWOLBIPKWAHBQD-GJZGRUSLSA-N 0 3 266.429 2.265 10 0 CEAEHN CCC1CCN(C[C@](NC(C)C)(C(=O)OC)C2CC2)CC1 ZINC000069183850 519859337 /nfs/dbraw/zinc/85/93/37/519859337.db2.gz PJUZLGXOISSKCT-QGZVFWFLSA-N 0 3 296.455 2.428 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000061292999 519906575 /nfs/dbraw/zinc/90/65/75/519906575.db2.gz UTEKHLLOSBPFPB-UHFFFAOYSA-N 0 3 272.352 2.403 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000061287033 519906775 /nfs/dbraw/zinc/90/67/75/519906775.db2.gz GAVFWPHXBREDFD-UHFFFAOYSA-N 0 3 266.341 2.030 10 0 CEAEHN CCCNCc1cccc(N2CCOC(C)(C)C2)n1 ZINC000051447045 519955017 /nfs/dbraw/zinc/95/50/17/519955017.db2.gz HOTJEVUOFDRJLF-UHFFFAOYSA-N 0 3 263.385 2.196 10 0 CEAEHN CCCN[C@@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460992 519997964 /nfs/dbraw/zinc/99/79/64/519997964.db2.gz CTLAMELLDMYVPN-LSDHHAIUSA-N 0 3 282.428 2.484 10 0 CEAEHN CCCN[C@@H](CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460992 519997966 /nfs/dbraw/zinc/99/79/66/519997966.db2.gz CTLAMELLDMYVPN-LSDHHAIUSA-N 0 3 282.428 2.484 10 0 CEAEHN CCNCc1cnc(N(C)CC(F)(F)F)s1 ZINC000054905046 520015002 /nfs/dbraw/zinc/01/50/02/520015002.db2.gz IUDXKBKILIICCS-UHFFFAOYSA-N 0 3 253.293 2.251 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1)[C@H](C)S(C)(=O)=O ZINC000054930580 520017910 /nfs/dbraw/zinc/01/79/10/520017910.db2.gz OOLUSAVTZAZKCV-SMDDNHRTSA-N 0 3 285.409 2.169 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCCCCO)ccc21 ZINC000062805007 520027604 /nfs/dbraw/zinc/02/76/04/520027604.db2.gz HIYHSQJYWQIDBI-CQSZACIVSA-N 0 3 265.353 2.271 10 0 CEAEHN CCNCc1oc(CN(CCOC)[C@@H](C)COC)cc1C ZINC000052572469 520027862 /nfs/dbraw/zinc/02/78/62/520027862.db2.gz XOMDNMMZUXVERL-AWEZNQCLSA-N 0 3 298.427 2.181 10 0 CEAEHN CCCN[C@@H]1c2ccccc2CC[C@@H]1S(C)(=O)=O ZINC000054930624 520029743 /nfs/dbraw/zinc/02/97/43/520029743.db2.gz QLFALHQEBYKJSA-UONOGXRCSA-N 0 3 267.394 2.087 10 0 CEAEHN CCCN[C@@](CN(C)CC1CCC1)(C(=O)OC)C1CC1 ZINC000069231888 520050872 /nfs/dbraw/zinc/05/08/72/520050872.db2.gz NDKYSLDYRIQPDT-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCN[C@@](CN1CCC[C@@H]1C)(C(=O)OCC)C1CC1 ZINC000069088512 520052952 /nfs/dbraw/zinc/05/29/52/520052952.db2.gz XJGAQKPHMWWGDW-XJKSGUPXSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCN[C@H](CS(C)(=O)=O)c1ccccc1C ZINC000052789204 520084960 /nfs/dbraw/zinc/08/49/60/520084960.db2.gz WQMZZHWELPMIQJ-CYBMUJFWSA-N 0 3 255.383 2.080 10 0 CEAEHN CCN[C@@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1CCCCO1 ZINC000050962212 520112247 /nfs/dbraw/zinc/11/22/47/520112247.db2.gz WQLYJWHGZSWJRI-JSGCOSHPSA-N 0 3 276.336 2.341 10 0 CEAEHN CCCN[C@](COC1CCCCCC1)(C(N)=O)C1CC1 ZINC000069194439 520121813 /nfs/dbraw/zinc/12/18/13/520121813.db2.gz RAXMHGHZJCBMFR-INIZCTEOSA-N 0 3 282.428 2.360 10 0 CEAEHN CCN[C@@H]1COc2cc(O[C@H](C)C(=O)OCC)ccc21 ZINC000062804637 520123855 /nfs/dbraw/zinc/12/38/55/520123855.db2.gz SNSKZJSMIUCPPH-ZWNOBZJWSA-N 0 3 279.336 2.060 10 0 CEAEHN CCN[C@@](CO[C@@H]1CCCC[C@@H]1CC)(C(N)=O)C1CC1 ZINC000069195901 520157339 /nfs/dbraw/zinc/15/73/39/520157339.db2.gz JPTNVEZJBGGJNL-JGGQBBKZSA-N 0 3 282.428 2.215 10 0 CEAEHN CCCNc1ccc(CN2CCCN(C)CC2)cn1 ZINC000050812377 520157464 /nfs/dbraw/zinc/15/74/64/520157464.db2.gz TWXFIABUURKVET-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CCN[C@@](CSc1ccccc1C)(C(N)=O)C1CC1 ZINC000069188279 520159220 /nfs/dbraw/zinc/15/92/20/520159220.db2.gz HOBRQECOSAVEHF-OAHLLOKOSA-N 0 3 278.421 2.331 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OC[C@@H](O)COCC ZINC000069276113 520177755 /nfs/dbraw/zinc/17/77/55/520177755.db2.gz KDPPCBAOLCSYGO-YPMHNXCESA-N 0 3 285.359 2.272 10 0 CEAEHN CCN[C@H](CC)[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000061702871 520182906 /nfs/dbraw/zinc/18/29/06/520182906.db2.gz AOOCPHTWYARREL-DGCLKSJQSA-N 0 3 255.383 2.237 10 0 CEAEHN CCN[C@H](CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000061702853 520200687 /nfs/dbraw/zinc/20/06/87/520200687.db2.gz LOXXRKDLPYFMDP-CYBMUJFWSA-N 0 3 269.410 2.485 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)C[C@@H](C)O2)[C@@H]1COCCO1 ZINC000055300277 520209739 /nfs/dbraw/zinc/20/97/39/520209739.db2.gz YPSBMZJTUNNPPQ-XFBWCDHKSA-N 0 3 277.364 2.076 10 0 CEAEHN CCN[C@](CSc1ccccc1OC)(C(N)=O)C1CC1 ZINC000069188803 520252836 /nfs/dbraw/zinc/25/28/36/520252836.db2.gz QOEYDSHWCWOSEX-HNNXBMFYSA-N 0 3 294.420 2.031 10 0 CEAEHN CCN[C@](CSc1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069186121 520253000 /nfs/dbraw/zinc/25/30/00/520253000.db2.gz UAASUCUEGCIVNF-HNNXBMFYSA-N 0 3 278.421 2.331 10 0 CEAEHN CCCOc1ccc(CNCC)c(O[C@H](CC)C(N)=O)c1 ZINC000061675897 520367240 /nfs/dbraw/zinc/36/72/40/520367240.db2.gz LVYJNBCMFMOHFB-CQSZACIVSA-N 0 3 294.395 2.228 10 0 CEAEHN CC1(C)COCCN1[C@@H](CN)c1ccc2ncccc2c1 ZINC000069502609 520507371 /nfs/dbraw/zinc/50/73/71/520507371.db2.gz KCRRPPZBQAODIV-INIZCTEOSA-N 0 3 285.391 2.345 10 0 CEAEHN CCO[C@H]1CCCN(c2ncc([C@@H](C)NC)s2)C1 ZINC000054909593 520529296 /nfs/dbraw/zinc/52/92/96/520529296.db2.gz SWYFJZQDKITLJA-MNOVXSKESA-N 0 3 269.414 2.429 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)CC[C@H](C)C[C@@H]1C ZINC000068631284 520689699 /nfs/dbraw/zinc/68/96/99/520689699.db2.gz YCXAKOBQOKOBHJ-OFQRWUPVSA-N 0 3 284.444 2.286 10 0 CEAEHN CCOc1cc(NC(=O)C(C)(C)NC)ccc1OC ZINC000061316425 520751999 /nfs/dbraw/zinc/75/19/99/520751999.db2.gz DWGUDQMXFFOILN-UHFFFAOYSA-N 0 3 266.341 2.030 10 0 CEAEHN CCCCOCCn1nc(C)c(CNCCOC)c1C ZINC000054717722 520795879 /nfs/dbraw/zinc/79/58/79/520795879.db2.gz BCFRHDHCOIYPGV-UHFFFAOYSA-N 0 3 283.416 2.053 10 0 CEAEHN CCOc1cc2c(cc1[C@@H](O)CNC1CC1)O[C@@H](C)C2 ZINC000055029088 520801901 /nfs/dbraw/zinc/80/19/01/520801901.db2.gz WSOXJOZZADYYCR-HZMBPMFUSA-N 0 3 277.364 2.194 10 0 CEAEHN CCN(CC)c1nc(C)c(CNCCOC)s1 ZINC000054995234 520924997 /nfs/dbraw/zinc/92/49/97/520924997.db2.gz AJZNFCFMQYZUJV-UHFFFAOYSA-N 0 3 257.403 2.034 10 0 CEAEHN CCN(CC1CC1)c1nc2sccn2c1CN ZINC000069238776 520970349 /nfs/dbraw/zinc/97/03/49/520970349.db2.gz IBENIMZMVNGAJI-UHFFFAOYSA-N 0 3 250.371 2.091 10 0 CEAEHN CCN(CCOC)[C@@H](CN)c1cccc2cccnc21 ZINC000069502636 521138168 /nfs/dbraw/zinc/13/81/68/521138168.db2.gz JCMFORAMAABNJF-HNNXBMFYSA-N 0 3 273.380 2.203 10 0 CEAEHN CCOC(=O)[C@@](CN(CC)C1CC1)(NC(C)C)C1CC1 ZINC000069098000 521167799 /nfs/dbraw/zinc/16/77/99/521167799.db2.gz YPVBJHXKQMPYHW-INIZCTEOSA-N 0 3 282.428 2.181 10 0 CEAEHN CCC[C@H](N[C@@H]1CN(C(C)C)C[C@@H]1C)C(=O)OCC ZINC000151842205 521173340 /nfs/dbraw/zinc/17/33/40/521173340.db2.gz MLVGEXWOZRTNAV-MELADBBJSA-N 0 3 270.417 2.037 10 0 CEAEHN CCOc1cccc(CN)c1OCc1nccn1CC ZINC000054743465 521332265 /nfs/dbraw/zinc/33/22/65/521332265.db2.gz PMBIFHBEXMRUCX-UHFFFAOYSA-N 0 3 275.352 2.339 10 0 CEAEHN CCOC(=O)[C@](CN1CCCCCC1)(NC1CC1)C1CC1 ZINC000069095120 521339537 /nfs/dbraw/zinc/33/95/37/521339537.db2.gz YFTSPKSKOAVCGN-QGZVFWFLSA-N 0 3 294.439 2.326 10 0 CEAEHN CCCc1ccc([C@H](N)Cn2nc(C)ccc2=O)cc1 ZINC000061810416 521419458 /nfs/dbraw/zinc/41/94/58/521419458.db2.gz WQLCATVHVCLYQJ-OAHLLOKOSA-N 0 3 271.364 2.204 10 0 CEAEHN CCN(Cc1nc(NN)ccc1Cl)CC(C)C ZINC000061639064 521452734 /nfs/dbraw/zinc/45/27/34/521452734.db2.gz VCYPNBLKOJHAKP-UHFFFAOYSA-N 0 3 256.781 2.499 10 0 CEAEHN CCCN(C)c1ccc(F)cc1CNCCOC ZINC000062735302 521520708 /nfs/dbraw/zinc/52/07/08/521520708.db2.gz GTUQUELIARTUCG-UHFFFAOYSA-N 0 3 254.349 2.408 10 0 CEAEHN CCC(CC)N(CCOC)c1ccnc(C(=N)N)c1 ZINC000061814292 521561205 /nfs/dbraw/zinc/56/12/05/521561205.db2.gz OVPMDCMHCZTREN-UHFFFAOYSA-N 0 3 264.373 2.007 10 0 CEAEHN CCOc1ccccc1OCCN[C@@H](C)COC ZINC000053565006 521563473 /nfs/dbraw/zinc/56/34/73/521563473.db2.gz VXFGRHFATJXEAV-LBPRGKRZSA-N 0 3 253.342 2.089 10 0 CEAEHN CCCC1N=NC(=S)N1CCN1CCCCC1 ZINC000049575332 521568365 /nfs/dbraw/zinc/56/83/65/521568365.db2.gz BOVAZKUFNBZIPC-UHFFFAOYSA-N 0 3 254.403 2.005 10 0 CEAEHN CCCC1N=NC(=S)N1[C@@H]1CCCN(CC)C1 ZINC000049219361 521569367 /nfs/dbraw/zinc/56/93/67/521569367.db2.gz 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RWLVYNQEUCCLJS-NSHDSACASA-N 0 3 293.754 2.191 10 0 CEAEHN COCC[C@H](N)C(=O)Nc1ccc2sccc2c1 ZINC000052792131 521949314 /nfs/dbraw/zinc/94/93/14/521949314.db2.gz XSZUBWHNONHQSY-NSHDSACASA-N 0 3 264.350 2.204 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547182 521957872 /nfs/dbraw/zinc/95/78/72/521957872.db2.gz BIXKEZSHUJBKNF-CWSCBRNRSA-N 0 3 250.342 2.052 10 0 CEAEHN CNCc1cc(C)nc(Cc2ccccc2OC)n1 ZINC000054830947 522103477 /nfs/dbraw/zinc/10/34/77/522103477.db2.gz MAJVBMZINQOTIY-UHFFFAOYSA-N 0 3 257.337 2.104 10 0 CEAEHN CNCc1ccc(COCC(F)(F)C(F)F)o1 ZINC000052628660 522116104 /nfs/dbraw/zinc/11/61/04/522116104.db2.gz GAOPNSCSTKEPOQ-UHFFFAOYSA-N 0 3 255.211 2.416 10 0 CEAEHN CNCc1oc2ccccc2c1CN1CCOC[C@H]1C ZINC000052475836 522161329 /nfs/dbraw/zinc/16/13/29/522161329.db2.gz YQFXZPGBARHREJ-GFCCVEGCSA-N 0 3 274.364 2.373 10 0 CEAEHN CN(C)c1cccc(OCc2cccnc2C(=N)N)c1 ZINC000061658831 522282759 /nfs/dbraw/zinc/28/27/59/522282759.db2.gz XWGDTBUUQDGCMT-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000052395841 522321234 /nfs/dbraw/zinc/32/12/34/522321234.db2.gz UVVHLXZQUQXDDK-RYUDHWBXSA-N 0 3 260.381 2.351 10 0 CEAEHN CN[C@@H](C)c1cc(Cl)ccc1OC[C@H](O)COC ZINC000069053756 522328716 /nfs/dbraw/zinc/32/87/16/522328716.db2.gz JMWZKWAOXVFPLT-GXSJLCMTSA-N 0 3 273.760 2.007 10 0 CEAEHN CN[C@@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702750 522377600 /nfs/dbraw/zinc/37/76/00/522377600.db2.gz HMPZYOYAJSINGA-KGLIPLIRSA-N 0 3 267.394 2.381 10 0 CEAEHN CCc1nc(N2CCO[C@H](C)C2)sc1CNC1CC1 ZINC000054995748 522388242 /nfs/dbraw/zinc/38/82/42/522388242.db2.gz YIOJVOUGMZNYQQ-SNVBAGLBSA-N 0 3 281.425 2.183 10 0 CEAEHN CCc1nc(N2CCO[C@@H]3CCCC[C@@H]32)sc1CN ZINC000055001797 522388486 /nfs/dbraw/zinc/38/84/86/522388486.db2.gz QTRHVCHKRJBITR-NWDGAFQWSA-N 0 3 281.425 2.312 10 0 CEAEHN CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000061626965 522394657 /nfs/dbraw/zinc/39/46/57/522394657.db2.gz QDCLMDJQKLDACH-LLVKDONJSA-N 0 3 272.270 2.026 10 0 CEAEHN CN[C@@](CSc1ccc(Cl)cc1)(C(N)=O)C1CC1 ZINC000069185408 522432392 /nfs/dbraw/zinc/43/23/92/522432392.db2.gz UHNRIKJUFKLSFZ-CYBMUJFWSA-N 0 3 284.812 2.286 10 0 CEAEHN CN[C@H](CCOc1ccc(C)cc1C(C)(C)C)C(N)=O ZINC000062547348 522461976 /nfs/dbraw/zinc/46/19/76/522461976.db2.gz VORNRPAYQKISHC-CYBMUJFWSA-N 0 3 278.396 2.135 10 0 CEAEHN CN[C@H](Cn1nc(C)ccc1=O)c1c(C)cc(C)cc1C ZINC000061810241 522475241 /nfs/dbraw/zinc/47/52/41/522475241.db2.gz AFERNLCCWCKAFH-OAHLLOKOSA-N 0 3 285.391 2.438 10 0 CEAEHN C[NH2+][C@](C)(C[C@H](C)N1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641735 522522711 /nfs/dbraw/zinc/52/27/11/522522711.db2.gz RHISECNTFSPNPC-JLJPHGGASA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@](C)(C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641735 522522722 /nfs/dbraw/zinc/52/27/22/522522722.db2.gz RHISECNTFSPNPC-JLJPHGGASA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@](C)(C[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641735 522522732 /nfs/dbraw/zinc/52/27/32/522522732.db2.gz RHISECNTFSPNPC-JLJPHGGASA-N 0 3 290.407 2.317 10 0 CEAEHN COc1cc(OC)cc([C@H](O)[C@H](N)c2ccccc2)c1 ZINC000054681814 522883058 /nfs/dbraw/zinc/88/30/58/522883058.db2.gz AVBZXLDRMBRELQ-CVEARBPZSA-N 0 3 273.332 2.437 10 0 CEAEHN CC[C@H]1CCCCN1Cc1cccnc1C(N)=S ZINC000061659698 523028568 /nfs/dbraw/zinc/02/85/68/523028568.db2.gz ZKAFTNDNYWFUEK-LBPRGKRZSA-N 0 3 263.410 2.480 10 0 CEAEHN CN(C[C@H]1CCCO1)c1cc(Cl)ccc1CN ZINC000062786904 523127556 /nfs/dbraw/zinc/12/75/56/523127556.db2.gz UJPHMKPXWKTHFW-GFCCVEGCSA-N 0 3 254.761 2.414 10 0 CEAEHN COC(=O)COc1c(CNC(C)(C)C)cccc1OC ZINC000062732234 523215261 /nfs/dbraw/zinc/21/52/61/523215261.db2.gz TWDKIUMSXVXNAR-UHFFFAOYSA-N 0 3 281.352 2.135 10 0 CEAEHN COc1ccc(-c2ncc(CNC3CC3)cn2)cc1OC ZINC000054856191 523236900 /nfs/dbraw/zinc/23/69/00/523236900.db2.gz KPSSGOURYWVHIS-UHFFFAOYSA-N 0 3 285.347 2.413 10 0 CEAEHN CC[C@H]1CN(c2cc(Cl)ccc2CN)CCO1 ZINC000062786806 523305719 /nfs/dbraw/zinc/30/57/19/523305719.db2.gz NKDDTSIIJVNHRE-LBPRGKRZSA-N 0 3 254.761 2.414 10 0 CEAEHN CC[C@H]1CN(c2nc(C)c([C@@H](C)N)s2)CCO1 ZINC000054895617 523308325 /nfs/dbraw/zinc/30/83/25/523308325.db2.gz IBBQXXUDZCHBTL-SCZZXKLOSA-N 0 3 255.387 2.086 10 0 CEAEHN CC[C@@H]1CN(c2ccc(Cl)cc2CN)CCO1 ZINC000052856758 523470701 /nfs/dbraw/zinc/47/07/01/523470701.db2.gz PNTPHWTWTZXZTN-GFCCVEGCSA-N 0 3 254.761 2.414 10 0 CEAEHN COC(=O)[C@@H](C(C)C)n1c(N)nc2ccc(F)c(F)c21 ZINC000053170237 523483116 /nfs/dbraw/zinc/48/31/16/523483116.db2.gz ILZVJXYYFQQXQO-SNVBAGLBSA-N 0 3 283.278 2.267 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1c1nc(C)c([C@@H](C)N)s1 ZINC000054898135 523520538 /nfs/dbraw/zinc/52/05/38/523520538.db2.gz NLWYECRMOWJASB-FXPVBKGRSA-N 0 3 269.414 2.475 10 0 CEAEHN COC(=O)[C@@H](CCN1CCC(C)(C)CC1)NC(C)C ZINC000062533103 523572560 /nfs/dbraw/zinc/57/25/60/523572560.db2.gz ZMOWMZVOWICVLZ-CYBMUJFWSA-N 0 3 270.417 2.038 10 0 CEAEHN COCCN(C)c1nc2c(s1)[C@H](N)CC(C)(C)C2 ZINC000054898335 523640077 /nfs/dbraw/zinc/64/00/77/523640077.db2.gz CLOZAPYYBAYRFH-SECBINFHSA-N 0 3 269.414 2.198 10 0 CEAEHN CN(c1nc(C(C)(C)C)c(CO)s1)C1CCN(C)CC1 ZINC000055002646 523660509 /nfs/dbraw/zinc/66/05/09/523660509.db2.gz RBWFDLFLBUNHGU-UHFFFAOYSA-N 0 3 297.468 2.463 10 0 CEAEHN COCCN(Cc1ccc(CNC(C)C)o1)[C@@H](C)COC ZINC000052572332 523749263 /nfs/dbraw/zinc/74/92/63/523749263.db2.gz DBBWSZSMWAILBB-AWEZNQCLSA-N 0 3 298.427 2.261 10 0 CEAEHN COCCN(Cc1ccoc1CNC1CC1)[C@@H](C)COC ZINC000052572352 523771551 /nfs/dbraw/zinc/77/15/51/523771551.db2.gz QRZJVIHLSQOSLM-ZDUSSCGKSA-N 0 3 296.411 2.015 10 0 CEAEHN COCCN(Cc1occc1CNC(C)C)[C@@H](C)COC ZINC000052572318 523778089 /nfs/dbraw/zinc/77/80/89/523778089.db2.gz KYXIEWIZIFAMBR-AWEZNQCLSA-N 0 3 298.427 2.261 10 0 CEAEHN CC[C@H](C)CNCc1sc(N(C)C)nc1OC ZINC000054468121 523884620 /nfs/dbraw/zinc/88/46/20/523884620.db2.gz FRNHZVDPSNMTNV-VIFPVBQESA-N 0 3 257.403 2.353 10 0 CEAEHN CN1CCN([C@H](CN)c2csc3ccccc23)CC1 ZINC000054463851 523919606 /nfs/dbraw/zinc/91/96/06/523919606.db2.gz COLNZIDFFGQJMC-CQSZACIVSA-N 0 3 275.421 2.149 10 0 CEAEHN CN1CCN(c2nc(-c3ccccc3)c(CN)s2)CC1 ZINC000054995385 523927812 /nfs/dbraw/zinc/92/78/12/523927812.db2.gz DHCAEBVIYIWXCO-UHFFFAOYSA-N 0 3 288.420 2.021 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1cc(CN)oc1C ZINC000052547356 523939746 /nfs/dbraw/zinc/93/97/46/523939746.db2.gz MRXHGHBQNSGLKY-NSHDSACASA-N 0 3 254.374 2.294 10 0 CEAEHN COCCNCc1sc(N(C)CC(C)C)nc1C ZINC000054996649 523958067 /nfs/dbraw/zinc/95/80/67/523958067.db2.gz PMRWVNBYOXFNMU-UHFFFAOYSA-N 0 3 271.430 2.280 10 0 CEAEHN CC[C@H](C)N1CCN(c2ncc([C@@H](C)N)s2)CC1 ZINC000055076315 523961737 /nfs/dbraw/zinc/96/17/37/523961737.db2.gz QPMQANOPOHPNGQ-WDEREUQCSA-N 0 3 268.430 2.083 10 0 CEAEHN COCCN[C@](C)(CO)c1ccc(Cl)c(Cl)c1 ZINC000053292586 523962027 /nfs/dbraw/zinc/96/20/27/523962027.db2.gz KFPZLQJYCRBMTR-GFCCVEGCSA-N 0 3 278.179 2.437 10 0 CEAEHN CC[C@H](C)N[C@@]1(C(N)=O)CCCc2sccc21 ZINC000061329949 524005910 /nfs/dbraw/zinc/00/59/10/524005910.db2.gz ODGDOADINUSIFM-ZANVPECISA-N 0 3 252.383 2.153 10 0 CEAEHN COC(=O)[C@](N)(CN1CCCC(C)(C)C1)c1ccccc1 ZINC000069517155 524006121 /nfs/dbraw/zinc/00/61/21/524006121.db2.gz IIGWEOVQVLXNGZ-KRWDZBQOSA-N 0 3 290.407 2.136 10 0 CEAEHN CC[C@H](C)N[C@H](C(N)=O)c1cccc2cccnc21 ZINC000069503192 524006316 /nfs/dbraw/zinc/00/63/16/524006316.db2.gz PSQJQSCWTLLARY-HZMBPMFUSA-N 0 3 257.337 2.149 10 0 CEAEHN CCc1ccc(OCC[C@@](C)(NC2CC2)C(N)=O)cc1 ZINC000045513393 524007375 /nfs/dbraw/zinc/00/73/75/524007375.db2.gz GGJLFHZYNJZADT-MRXNPFEDSA-N 0 3 276.380 2.014 10 0 CEAEHN COc1ccc(CNCc2cc(C)n(C)c2C)cn1 ZINC000052789755 524072248 /nfs/dbraw/zinc/07/22/48/524072248.db2.gz XLLRFABMOVWURD-UHFFFAOYSA-N 0 3 259.353 2.335 10 0 CEAEHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)no1 ZINC000052555203 524124187 /nfs/dbraw/zinc/12/41/87/524124187.db2.gz IKFNZMRCEWGJJK-AWEZNQCLSA-N 0 3 273.336 2.016 10 0 CEAEHN C[C@H](CCn1cccn1)N[C@@H]1COc2ccccc21 ZINC000183895603 524268641 /nfs/dbraw/zinc/26/86/41/524268641.db2.gz ANUZMQXBHCLMCB-TZMCWYRMSA-N 0 3 257.337 2.385 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1cc2cc(N)ccc2o1 ZINC000049149182 524313726 /nfs/dbraw/zinc/31/37/26/524313726.db2.gz WEMQILWSWGQAQG-LLVKDONJSA-N 0 3 287.363 2.229 10 0 CEAEHN C[C@@H]1CCC[C@H](C)N1Cc1ccnc(C(N)=S)c1 ZINC000068751809 524362206 /nfs/dbraw/zinc/36/22/06/524362206.db2.gz DLEFGKRTPPAXCX-PHIMTYICSA-N 0 3 263.410 2.479 10 0 CEAEHN Cc1cccc(N)c1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000049550952 524527564 /nfs/dbraw/zinc/52/75/64/524527564.db2.gz MWGRZPWLGJBIND-ZDUSSCGKSA-N 0 3 277.412 2.283 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1ccc(N)cc1Cl ZINC000049149113 524591020 /nfs/dbraw/zinc/59/10/20/524591020.db2.gz NSJHGEPWSGBZRV-JTQLQIEISA-N 0 3 281.787 2.136 10 0 CEAEHN C[C@@H](CN1CCCC1)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000049180484 524593300 /nfs/dbraw/zinc/59/33/00/524593300.db2.gz BGFWAGGRYGTDNR-KBPBESRZSA-N 0 3 275.396 2.088 10 0 CEAEHN C[C@@H](CN1CCCC1)n1c(N)cc2ccccc2c1=O ZINC000049185794 524595081 /nfs/dbraw/zinc/59/50/81/524595081.db2.gz VCPHYDJCTPHTJK-LBPRGKRZSA-N 0 3 271.364 2.241 10 0 CEAEHN Cc1cc(CN2CCN(c3ccccc3)CC2)oc1CN ZINC000052417316 524700597 /nfs/dbraw/zinc/70/05/97/524700597.db2.gz QLWYWKKXGVMNAO-UHFFFAOYSA-N 0 3 285.391 2.369 10 0 CEAEHN Cc1cc(CO)ccc1N1CCN(C(C)(C)C)CC1 ZINC000050561023 524793981 /nfs/dbraw/zinc/79/39/81/524793981.db2.gz XFNYFWAUSFEFQU-UHFFFAOYSA-N 0 3 262.397 2.408 10 0 CEAEHN C[C@H]([NH3+])[C@]([O-])(c1ccc(F)cc1F)C(F)(F)F ZINC000062784607 524863380 /nfs/dbraw/zinc/86/33/80/524863380.db2.gz LQQWFUMLTZZKFW-CDUCUWFYSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)Cc1c(F)cccc1Cl ZINC000069132748 525099264 /nfs/dbraw/zinc/09/92/64/525099264.db2.gz QTTQCFPHALWKJB-AOOOYVTPSA-N 0 3 284.762 2.230 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccccc1Cl ZINC000069132837 525101390 /nfs/dbraw/zinc/10/13/90/525101390.db2.gz QERIZNRIJNKLFR-AOOOYVTPSA-N 0 3 252.745 2.162 10 0 CEAEHN Cc1ccccc1CCC(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069133452 525102380 /nfs/dbraw/zinc/10/23/80/525102380.db2.gz ZHAJWJAHQGMWRD-KBPBESRZSA-N 0 3 260.381 2.136 10 0 CEAEHN C[C@](N)(c1cncnc1)c1ccccc1Br ZINC000052887683 525149741 /nfs/dbraw/zinc/14/97/41/525149741.db2.gz ICTLAJCEIYXAIV-LBPRGKRZSA-N 0 3 278.153 2.461 10 0 CEAEHN Cc1ccccc1N(C)Cc1cccnc1C(=N)N ZINC000061658354 525214834 /nfs/dbraw/zinc/21/48/34/525214834.db2.gz FJYFXVMKZJULCK-UHFFFAOYSA-N 0 3 254.337 2.310 10 0 CEAEHN C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCCO1 ZINC000155681031 525341724 /nfs/dbraw/zinc/34/17/24/525341724.db2.gz DCVOZIHWHXEPNB-DOMZBBRYSA-N 0 3 276.380 2.046 10 0 CEAEHN Cc1ccccc1[C@@H](C)NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631494 525362723 /nfs/dbraw/zinc/36/27/23/525362723.db2.gz QQVONINEBPFMJN-KGLIPLIRSA-N 0 3 296.436 2.118 10 0 CEAEHN COc1ccc([C@H](O)[C@H](N)c2ccccc2)cc1O ZINC000054682757 525379042 /nfs/dbraw/zinc/37/90/42/525379042.db2.gz DRWPUFZMFQRRSB-CABCVRRESA-N 0 3 259.305 2.134 10 0 CEAEHN C[C@H](NC[C@@H](O)CN1CCCCC1)c1cc(F)ccc1F ZINC000151258496 525381058 /nfs/dbraw/zinc/38/10/58/525381058.db2.gz ZTXDSNKSWCXJCD-GXTWGEPZSA-N 0 3 298.377 2.462 10 0 CEAEHN CSCCCNCC(=O)Nc1ccccc1F ZINC000069447061 525477845 /nfs/dbraw/zinc/47/78/45/525477845.db2.gz SZRFJOQYGCOIKZ-UHFFFAOYSA-N 0 3 256.346 2.107 10 0 CEAEHN CSCCNCc1ccc(I)o1 ZINC000068996314 525510323 /nfs/dbraw/zinc/51/03/23/525510323.db2.gz DDDCWCRRDGNKGL-UHFFFAOYSA-N 0 3 297.161 2.337 10 0 CEAEHN CSC[C@@H](C)CN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000069438809 525623236 /nfs/dbraw/zinc/62/32/36/525623236.db2.gz HTPSAEDSJJAVQQ-WCQYABFASA-N 0 3 299.461 2.494 10 0 CEAEHN Cc1c(N)cc(C(=O)N[C@@H](C)CN2CCCCC2)cc1F ZINC000049500488 525818313 /nfs/dbraw/zinc/81/83/13/525818313.db2.gz SRPWJNCGZIATBB-NSHDSACASA-N 0 3 293.386 2.321 10 0 CEAEHN C[C@@]1(N[C@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000061326119 525874751 /nfs/dbraw/zinc/87/47/51/525874751.db2.gz PIVHIYDMNQPYEB-WCQYABFASA-N 0 3 285.434 2.292 10 0 CEAEHN COc1cccc(CN(C)Cc2cccnc2CN)c1 ZINC000061656677 525911864 /nfs/dbraw/zinc/91/18/64/525911864.db2.gz BAVSXGABKNXRPF-UHFFFAOYSA-N 0 3 271.364 2.181 10 0 CEAEHN COc1cccc(CN(C)c2ncccc2CN)c1 ZINC000048893096 525921737 /nfs/dbraw/zinc/92/17/37/525921737.db2.gz OAOVDRVOCIHCJA-UHFFFAOYSA-N 0 3 257.337 2.185 10 0 CEAEHN COc1cccc(OC)c1OCc1cc(CN)co1 ZINC000052650176 526223833 /nfs/dbraw/zinc/22/38/33/526223833.db2.gz RNEBRVZSRFTACC-UHFFFAOYSA-N 0 3 263.293 2.335 10 0 CEAEHN Cc1ccc(C(N)=S)c(N2CCN(CC(C)C)CC2)c1 ZINC000055080681 526254918 /nfs/dbraw/zinc/25/49/18/526254918.db2.gz LGPWLZUDCUATRJ-UHFFFAOYSA-N 0 3 291.464 2.407 10 0 CEAEHN c1cc(C2CCN(CCc3cccnc3)CC2)n[nH]1 ZINC000149084714 526418337 /nfs/dbraw/zinc/41/83/37/526418337.db2.gz LSKYCCJWYARCRI-UHFFFAOYSA-N 0 3 256.353 2.227 10 0 CEAEHN c1ccc([C@@H]2CN(Cc3cccnc3)CCN2)cc1 ZINC000068693510 526493296 /nfs/dbraw/zinc/49/32/96/526493296.db2.gz FEZJMBNAICLMOE-INIZCTEOSA-N 0 3 253.349 2.228 10 0 CEAEHN Cc1nc(-c2ncccn2)nc(C)c1CNC(C)C ZINC000054854319 526624818 /nfs/dbraw/zinc/62/48/18/526624818.db2.gz VRMJKZRSZUIADT-UHFFFAOYSA-N 0 3 257.341 2.048 10 0 CEAEHN Cc1oc(CN)cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573147 526770901 /nfs/dbraw/zinc/77/09/01/526770901.db2.gz RIKGMLUKQSUFQN-LSDHHAIUSA-N 0 3 264.369 2.190 10 0 CEAEHN Cc1oc(CNC(C)(C)C)cc1CN1CCS(=O)CC1 ZINC000052516497 526775381 /nfs/dbraw/zinc/77/53/81/526775381.db2.gz NXECSVTYIZUTBO-UHFFFAOYSA-N 0 3 298.452 2.040 10 0 CEAEHN Cc1nc(CN[C@@H](CN(C)C)c2ccccc2)c[nH]1 ZINC000054798382 526892044 /nfs/dbraw/zinc/89/20/44/526892044.db2.gz SFADNNGFRPVGTC-HNNXBMFYSA-N 0 3 258.369 2.111 10 0 CEAEHN Cc1ncc(CN[C@@H](CN(C)C)c2ccccc2)[nH]1 ZINC000054798382 526892049 /nfs/dbraw/zinc/89/20/49/526892049.db2.gz SFADNNGFRPVGTC-HNNXBMFYSA-N 0 3 258.369 2.111 10 0 CEAEHN NC(=O)[C@H](NC1CCCC1)c1ccc2ncccc2c1 ZINC000069503141 526995606 /nfs/dbraw/zinc/99/56/06/526995606.db2.gz VLDNGMOFGHVZIS-OAHLLOKOSA-N 0 3 269.348 2.293 10 0 CEAEHN Clc1nsnc1N[C@H]1CCN2CCCC[C@@H]12 ZINC000049571778 527012990 /nfs/dbraw/zinc/01/29/90/527012990.db2.gz SGALQLHKVBBFTE-YUMQZZPRSA-N 0 3 258.778 2.230 10 0 CEAEHN Cn1c(Cl)cnc1Cn1ccnc1CNC(C)(C)C ZINC000051015538 527070652 /nfs/dbraw/zinc/07/06/52/527070652.db2.gz MWMHZRHMNCOXKL-UHFFFAOYSA-N 0 3 281.791 2.206 10 0 CEAEHN O=C(N[C@H]1COc2ccccc21)c1ccc2c(c1)CNC2 ZINC000156770804 527076796 /nfs/dbraw/zinc/07/67/96/527076796.db2.gz JAZLCBRNGODYEA-HNNXBMFYSA-N 0 3 280.327 2.153 10 0 CEAEHN NC(=S)c1ccc(F)cc1CN1CCC[C@H]1CCCO ZINC000069403175 527119045 /nfs/dbraw/zinc/11/90/45/527119045.db2.gz YIDRVRCYINAROX-ZDUSSCGKSA-N 0 3 296.411 2.197 10 0 CEAEHN O=S(=O)(C[C@@H]1CCCCN1)NC1CCCCCCC1 ZINC000049630708 527181924 /nfs/dbraw/zinc/18/19/24/527181924.db2.gz BPXZDBPHGMYFTO-AWEZNQCLSA-N 0 3 288.457 2.161 10 0 CEAEHN NCc1cc(Cl)ccc1N1CCCC[C@@H]1CO ZINC000052856991 527248811 /nfs/dbraw/zinc/24/88/11/527248811.db2.gz AIURULJEKPPUEY-GFCCVEGCSA-N 0 3 254.761 2.150 10 0 CEAEHN NCc1ccnc(Cc2ccccc2Br)n1 ZINC000055336020 527262792 /nfs/dbraw/zinc/26/27/92/527262792.db2.gz JOHCMGGOSJHODY-UHFFFAOYSA-N 0 3 278.153 2.289 10 0 CEAEHN N[C@H]1CCCc2nc(N3CCSCC3)sc21 ZINC000054894777 527409741 /nfs/dbraw/zinc/40/97/41/527409741.db2.gz OZIJYEPYZHWOED-QMMMGPOBSA-N 0 3 255.412 2.032 10 0 CEAEHN O[C@@H](CN1CC[C@@H]2CCCC[C@@H]2C1)C(F)(F)F ZINC000068875982 527650709 /nfs/dbraw/zinc/65/07/09/527650709.db2.gz KSJMPFXGVIQWKW-AXFHLTTASA-N 0 3 251.292 2.422 10 0 CEAEHN FC(F)(F)CO[C@@H]1CCC[C@@H](NCc2c[nH]cn2)C1 ZINC000054764943 527671686 /nfs/dbraw/zinc/67/16/86/527671686.db2.gz AFBXCLDYERVFBH-MWLCHTKSSA-N 0 3 277.290 2.389 10 0 CEAEHN CC[C@@H](O)CN1CCN(CCc2ccccc2Cl)CC1 ZINC000174082767 529228620 /nfs/dbraw/zinc/22/86/20/529228620.db2.gz HVZSJSJODHVSII-OAHLLOKOSA-N 0 3 296.842 2.271 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000174075686 529229420 /nfs/dbraw/zinc/22/94/20/529229420.db2.gz QNZINMGXKISEAV-NVXWUHKLSA-N 0 3 276.424 2.445 10 0 CEAEHN CC1(C)CN(c2nc(C(F)(F)F)ccc2CN)CCO1 ZINC000094334136 535359993 /nfs/dbraw/zinc/35/99/93/535359993.db2.gz IZDJQEQFRABSTO-UHFFFAOYSA-N 0 3 289.301 2.174 10 0 CEAEHN COc1ccc(F)c(N2CCC[C@H](NC3CC3)C2=O)c1 ZINC000094856915 536598958 /nfs/dbraw/zinc/59/89/58/536598958.db2.gz OZNWPIGBUGCBSK-ZDUSSCGKSA-N 0 3 278.327 2.082 10 0 CEAEHN CC(C)Cc1cncc(SC[C@H]2CNCCO2)c1 ZINC000757214582 574513042 /nfs/dbraw/zinc/51/30/42/574513042.db2.gz UALHSYMTLDWHBA-CYBMUJFWSA-N 0 3 266.410 2.361 10 0 CEAEHN CCC[C@@H](C(=O)NCCSC(F)(F)F)N(C)C ZINC000179515400 625564102 /nfs/dbraw/zinc/56/41/02/625564102.db2.gz QTLQCBLRJZSLST-QMMMGPOBSA-N 0 3 272.336 2.086 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC000262144917 624598572 /nfs/dbraw/zinc/59/85/72/624598572.db2.gz PWHWPSFWMZNSHG-QMMMGPOBSA-N 0 3 266.732 2.282 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2cc(F)c(F)cc2F)C1 ZINC000225262969 627323940 /nfs/dbraw/zinc/32/39/40/627323940.db2.gz LOCGFHDKNULJMA-VHSXEESVSA-N 0 3 259.271 2.497 10 0 CEAEHN O=C(CCC1CCCC1)N[C@@H]1CN2CCC1CC2 ZINC000222585077 639383551 /nfs/dbraw/zinc/38/35/51/639383551.db2.gz NNOLJZFSVWMRBT-CQSZACIVSA-N 0 3 250.386 2.167 10 0 CEAEHN OC[C@H](NC[C@H](O)c1cccc(F)c1)c1ccccc1 ZINC000063002457 639806912 /nfs/dbraw/zinc/80/69/12/639806912.db2.gz UFWNWOISIJCSIF-HOTGVXAUSA-N 0 3 275.323 2.182 10 0 CEAEHN C[C@@](N)(CCO)c1cc(Br)cs1 ZINC000082554916 178089119 /nfs/dbraw/zinc/08/91/19/178089119.db2.gz BKWUOHYONFBYTO-MRVPVSSYSA-N 0 3 250.161 2.067 10 0 CEAEHN Cc1cc(Br)c2ncc([C@H](C)N)n2c1 ZINC000082693659 178188352 /nfs/dbraw/zinc/18/83/52/178188352.db2.gz AJMFEVUSZVYMNS-ZETCQYMHSA-N 0 3 254.131 2.425 10 0 CEAEHN O=C(Nc1cccc(O)c1)[C@H]1CNCc2ccccc21 ZINC000082802899 178302153 /nfs/dbraw/zinc/30/21/53/178302153.db2.gz CKFLKGBQPRCTIE-HNNXBMFYSA-N 0 3 268.316 2.218 10 0 CEAEHN CCC[C@@H](C(=O)N(C)CCc1ncc(C)s1)N(C)C ZINC000124342463 365649198 /nfs/dbraw/zinc/64/91/98/365649198.db2.gz OIKLLJLYXVEBKY-LBPRGKRZSA-N 0 3 283.441 2.183 10 0 CEAEHN CN(C)C[C@@H]1CN([C@H]2CCCc3ccccc32)CCO1 ZINC000247363702 282128173 /nfs/dbraw/zinc/12/81/73/282128173.db2.gz MSWFIYXIJHHBSX-WBVHZDCISA-N 0 3 274.408 2.326 10 0 CEAEHN CNCc1cc(OC)c(Br)cc1OC ZINC000083256370 178372350 /nfs/dbraw/zinc/37/23/50/178372350.db2.gz ACMTVYBTGGFPOS-UHFFFAOYSA-N 0 3 260.131 2.186 10 0 CEAEHN CN(C)[C@H](CN)c1ccc(Br)cc1F ZINC000036670309 361850897 /nfs/dbraw/zinc/85/08/97/361850897.db2.gz PUNUMDVFEHTJOM-SNVBAGLBSA-N 0 3 261.138 2.150 10 0 CEAEHN C[C@H](NCC(=O)Nc1c(F)cccc1F)[C@H]1CCCO1 ZINC000036823872 361861064 /nfs/dbraw/zinc/86/10/64/361861064.db2.gz CVXGIRHRUJWJGW-JOYOIKCWSA-N 0 3 284.306 2.060 10 0 CEAEHN Cc1c2c(ccc1Br)[C@]1(C[C@@H]1N)CN2 ZINC000725246949 539192020 /nfs/dbraw/zinc/19/20/20/539192020.db2.gz BJXBOTUXDXXZIH-ONGXEEELSA-N 0 3 253.143 2.152 10 0 CEAEHN C[C@H]1CNCCN1c1cc(N)ccc1C(F)(F)F ZINC000725263656 539212084 /nfs/dbraw/zinc/21/20/84/539212084.db2.gz YVLXSEYMXHNRET-QMMMGPOBSA-N 0 3 259.275 2.086 10 0 CEAEHN Cc1cccc(NC[C@@H]2CCN(Cc3cncnc3)C2)n1 ZINC000128267965 539253035 /nfs/dbraw/zinc/25/30/35/539253035.db2.gz LWWRIJGWVVOXJM-AWEZNQCLSA-N 0 3 283.379 2.114 10 0 CEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)C[C@@H](CC)O1 ZINC000398581320 539262363 /nfs/dbraw/zinc/26/23/63/539262363.db2.gz MDPLZTPFSJDVLN-LXTVHRRPSA-N 0 3 255.402 2.427 10 0 CEAEHN O=C1CC[C@H](CNCc2ccc(Cl)c(Cl)c2)N1 ZINC000079928478 539276673 /nfs/dbraw/zinc/27/66/73/539276673.db2.gz YQBBEZLUEZSPPS-SECBINFHSA-N 0 3 273.163 2.362 10 0 CEAEHN CCCCOC[C@@H](O)CN1CC[C@@H](C(F)(F)F)C1 ZINC000310663505 539278992 /nfs/dbraw/zinc/27/89/92/539278992.db2.gz KMMRJUACMDZSOG-MNOVXSKESA-N 0 3 269.307 2.048 10 0 CEAEHN N[C@@H]1CCC[S@](=O)c2ccc(Br)cc21 ZINC000040976801 362010659 /nfs/dbraw/zinc/01/06/59/362010659.db2.gz UOJJSRUFIXRPLF-YMTOWFKASA-N 0 3 274.183 2.350 10 0 CEAEHN C[C@@H](NCCN[C@@H](C)c1ccccn1)c1ccccn1 ZINC000019369573 343374655 /nfs/dbraw/zinc/37/46/55/343374655.db2.gz JPAOPUWOGMRBHW-OKILXGFUSA-N 0 3 270.380 2.478 10 0 CEAEHN Cc1ccc([C@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)o1 ZINC000127870345 187338072 /nfs/dbraw/zinc/33/80/72/187338072.db2.gz ZCKCOVWAIAJSLH-VXGBXAGGSA-N 0 3 299.392 2.075 10 0 CEAEHN NC[C@@H](O)c1cccc(OCc2ccccc2)c1F ZINC000032240870 343411961 /nfs/dbraw/zinc/41/19/61/343411961.db2.gz MUJVDWHBAVZXAR-CYBMUJFWSA-N 0 3 261.296 2.397 10 0 CEAEHN CC(C)[C@@H](N)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007653 343424943 /nfs/dbraw/zinc/42/49/43/343424943.db2.gz FDENTWSHIPLFMJ-PRHODGIISA-N 0 3 256.296 2.125 10 0 CEAEHN C/C(=C\c1ccccc1)CN1CCO[C@H](CN(C)C)C1 ZINC000128197949 187356195 /nfs/dbraw/zinc/35/61/95/187356195.db2.gz KSBMFXPJPQTXPF-GSPCDJLXSA-N 0 3 274.408 2.352 10 0 CEAEHN COc1ccc2c(c1)CCN[C@H]2CN1CCCCC1 ZINC000113592172 344277607 /nfs/dbraw/zinc/27/76/07/344277607.db2.gz NJMCQINNLWKANS-INIZCTEOSA-N 0 3 260.381 2.368 10 0 CEAEHN NCc1ccc(-c2ccc3ncnc(N)c3c2)s1 ZINC000116593370 344287468 /nfs/dbraw/zinc/28/74/68/344287468.db2.gz RGRVLGOGDATJGS-UHFFFAOYSA-N 0 3 256.334 2.399 10 0 CEAEHN CSc1ccccc1NC(=O)C(C)(C)N1CCNCC1 ZINC000129621805 344345668 /nfs/dbraw/zinc/34/56/68/344345668.db2.gz PMPWEBGSEATWDK-UHFFFAOYSA-N 0 3 293.436 2.031 10 0 CEAEHN CN(C(=O)C(C)(C)N1CCNCC1)C1CCC(C)(C)CC1 ZINC000129810413 344347127 /nfs/dbraw/zinc/34/71/27/344347127.db2.gz OUELRPHTUASEHX-UHFFFAOYSA-N 0 3 295.471 2.097 10 0 CEAEHN N=C(c1ccc(Br)cn1)N1CCCC1 ZINC000133380497 344368557 /nfs/dbraw/zinc/36/85/57/344368557.db2.gz IICNVEOVZHHTIE-UHFFFAOYSA-N 0 3 254.131 2.265 10 0 CEAEHN CCCOc1ccc(CNC[C@@H]2CN(CC)CCO2)cc1 ZINC000134437343 344374387 /nfs/dbraw/zinc/37/43/87/344374387.db2.gz BNCTYOTXLWQKQS-QGZVFWFLSA-N 0 3 292.423 2.286 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(C)c(C)c2)C1 ZINC000134437285 344374393 /nfs/dbraw/zinc/37/43/93/344374393.db2.gz UQDFRWAZSUZXGB-INIZCTEOSA-N 0 3 262.397 2.114 10 0 CEAEHN CCCOc1cccc(CNC[C@@H]2CN(CC)CCO2)c1 ZINC000134435907 344374454 /nfs/dbraw/zinc/37/44/54/344374454.db2.gz JMPWGNHGRXOCHS-QGZVFWFLSA-N 0 3 292.423 2.286 10 0 CEAEHN CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1cccc(O)c13 ZINC000139727311 344395029 /nfs/dbraw/zinc/39/50/29/344395029.db2.gz QYNINOVRFBUMAB-VBQJREDUSA-N 0 3 271.360 2.259 10 0 CEAEHN N[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000146293429 344410297 /nfs/dbraw/zinc/41/02/97/344410297.db2.gz IHKXUUPBTZFRKU-SNVBAGLBSA-N 0 3 257.124 2.285 10 0 CEAEHN O=CC1CCN(CCOCCc2ccccc2)CC1 ZINC000148079113 344413173 /nfs/dbraw/zinc/41/31/73/344413173.db2.gz GUOZCKOCQPYIRW-UHFFFAOYSA-N 0 3 261.365 2.157 10 0 CEAEHN C[C@@H]1CC(c2ccncc2[N+](=O)[O-])=CC(=O)[C@@H]1CN(C)C ZINC000149822143 344415390 /nfs/dbraw/zinc/41/53/90/344415390.db2.gz MRURIDYMVHCNJL-ZWNOBZJWSA-N 0 3 289.335 2.160 10 0 CEAEHN Cc1cccc(CCC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170857067 344491656 /nfs/dbraw/zinc/49/16/56/344491656.db2.gz SFHMZNTYQWHRHD-HNNXBMFYSA-N 0 3 260.381 2.090 10 0 CEAEHN Cc1ccc(SCC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170861129 344492011 /nfs/dbraw/zinc/49/20/11/344492011.db2.gz MQIYOMHVSNBOCQ-CYBMUJFWSA-N 0 3 278.421 2.250 10 0 CEAEHN Cc1cc(C)c(CNCCO)c(OCc2ccccc2)n1 ZINC000217952875 344535910 /nfs/dbraw/zinc/53/59/10/344535910.db2.gz RRFGVSMEULDGAI-UHFFFAOYSA-N 0 3 286.375 2.359 10 0 CEAEHN Cn1cc(N)c(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000231659661 344575059 /nfs/dbraw/zinc/57/50/59/344575059.db2.gz XOQQCRJEJAWROZ-AWEZNQCLSA-N 0 3 285.395 2.079 10 0 CEAEHN CCOC(=O)C[C@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000233987965 344582747 /nfs/dbraw/zinc/58/27/47/344582747.db2.gz AHWBEJBKZMTJDD-IUCAKERBSA-N 0 3 291.800 2.366 10 0 CEAEHN CCCOc1ccc([C@@H](C)N[C@@H]2CCCNC2=O)cc1 ZINC000050394225 362418618 /nfs/dbraw/zinc/41/86/18/362418618.db2.gz GIWWRSJHGUWQTA-IUODEOHRSA-N 0 3 276.380 2.405 10 0 CEAEHN Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)n1C ZINC000053372683 362491853 /nfs/dbraw/zinc/49/18/53/362491853.db2.gz VJNNOQMHEAWDPX-OAHLLOKOSA-N 0 3 285.391 2.366 10 0 CEAEHN C[C@@](O)(CN1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000052097507 362464649 /nfs/dbraw/zinc/46/46/49/362464649.db2.gz LUWCDCKCNOHSJH-GOSISDBHSA-N 0 3 288.435 2.454 10 0 CEAEHN CN(C)C[C@@H](NC(=O)NCc1cccnc1)c1ccccc1 ZINC000053249427 362488762 /nfs/dbraw/zinc/48/87/62/362488762.db2.gz NZWIJGMFGNTXDK-MRXNPFEDSA-N 0 3 298.390 2.184 10 0 CEAEHN OCCC[C@@H]1CCCN1C[C@H]1COc2ccccc2O1 ZINC000250538127 344633538 /nfs/dbraw/zinc/63/35/38/344633538.db2.gz RQPSJRBLJIJTLV-KBPBESRZSA-N 0 3 277.364 2.063 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@]2(C1)NC(C)(C)CS2 ZINC000307349554 344722034 /nfs/dbraw/zinc/72/20/34/344722034.db2.gz SDSHQSDWFZTADY-ZDUSSCGKSA-N 0 3 272.414 2.439 10 0 CEAEHN COC(=O)[C@@H]1CCCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300008960 344698193 /nfs/dbraw/zinc/69/81/93/344698193.db2.gz YAZCSUVLRBICKE-ZIAGYGMSSA-N 0 3 281.396 2.363 10 0 CEAEHN CCC[S@@](=O)C[C@H](NC)c1ccc(OC)cc1 ZINC000084009555 178771800 /nfs/dbraw/zinc/77/18/00/178771800.db2.gz HKVPLVMUTMFTNG-GUYCJALGSA-N 0 3 255.383 2.114 10 0 CEAEHN CN[C@H]1c2ccc(OC)cc2CC[C@@H]1[S@](=O)C(C)C ZINC000084042447 178777237 /nfs/dbraw/zinc/77/72/37/178777237.db2.gz ZXMZRGICVZCKJX-DOXZYTNZSA-N 0 3 281.421 2.428 10 0 CEAEHN CCO[C@@H]1CCN[C@@H](c2ccc(C(=O)OC)cc2)C1 ZINC000584598122 344961779 /nfs/dbraw/zinc/96/17/79/344961779.db2.gz DZNZBIFPILZUCT-ZIAGYGMSSA-N 0 3 263.337 2.303 10 0 CEAEHN c1ccc([C@@H]2N=C(CCCN3CCCC3)ON2)cc1 ZINC000584614152 344965260 /nfs/dbraw/zinc/96/52/60/344965260.db2.gz VMTFQNKQJWJBMO-OAHLLOKOSA-N 0 3 259.353 2.495 10 0 CEAEHN CC(C)[NH2+][C@H](C)[C@H](O)c1ccc([O-])c2[nH]c(=O)ccc21 ZINC000584621436 344967393 /nfs/dbraw/zinc/96/73/93/344967393.db2.gz OKJIXKXNHUFUHR-PSLIRLAXSA-N 0 3 276.336 2.066 10 0 CEAEHN OC[C@@]1(C[C@H]2CO2)CCCN(Cc2ccccc2)C1 ZINC000584882612 344996631 /nfs/dbraw/zinc/99/66/31/344996631.db2.gz RGFAXADQLOUVQL-JKSUJKDBSA-N 0 3 261.365 2.050 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)[C@@H](C)NC ZINC000054074603 362509095 /nfs/dbraw/zinc/50/90/95/362509095.db2.gz PDAQDTCQYMAPAR-LLVKDONJSA-N 0 3 250.342 2.330 10 0 CEAEHN CCCn1nc(C)c(N)c1NC[C@@H](C)N1CCCCC1 ZINC000097125298 185541688 /nfs/dbraw/zinc/54/16/88/185541688.db2.gz WGKVVYLUETUHFE-GFCCVEGCSA-N 0 3 279.432 2.470 10 0 CEAEHN CCCCCCO[C@H](C)C[C@@](C)(NC1CC1)C(N)=O ZINC000084366025 178875062 /nfs/dbraw/zinc/87/50/62/178875062.db2.gz WEGHXRYZCLJBIW-IUODEOHRSA-N 0 3 270.417 2.358 10 0 CEAEHN Cc1cc(N2CCNCC2)nc(-c2ccccc2F)n1 ZINC000058047068 362606452 /nfs/dbraw/zinc/60/64/52/362606452.db2.gz LZVRUYFWNACZQM-UHFFFAOYSA-N 0 3 272.327 2.001 10 0 CEAEHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000057879211 362599270 /nfs/dbraw/zinc/59/92/70/362599270.db2.gz ZFHYFVUEURBNSW-NEPJUHHUSA-N 0 3 291.395 2.305 10 0 CEAEHN CCCN[C@@H](Cc1c(Cl)c(C)nn1C)c1ccnnc1 ZINC000097273866 185575437 /nfs/dbraw/zinc/57/54/37/185575437.db2.gz WQYOORSSYKMYNP-LBPRGKRZSA-N 0 3 293.802 2.455 10 0 CEAEHN c1ncn([C@@H]2CCCN(CCCOc3ccccc3)C2)n1 ZINC000171703504 232269678 /nfs/dbraw/zinc/26/96/78/232269678.db2.gz IITIDEAGCXTNKX-OAHLLOKOSA-N 0 3 286.379 2.384 10 0 CEAEHN CCn1ncc(Cl)c1[C@H](Cc1c(C)nn(C)c1C)NC ZINC000097420520 185600514 /nfs/dbraw/zinc/60/05/14/185600514.db2.gz AWCCOLWMQQWPQK-ZDUSSCGKSA-N 0 3 295.818 2.410 10 0 CEAEHN OC[C@H](COc1ccccc1C(F)(F)F)NC1CC1 ZINC000085282975 179000976 /nfs/dbraw/zinc/00/09/76/179000976.db2.gz DYLCXMZHHBFTFJ-SNVBAGLBSA-N 0 3 275.270 2.197 10 0 CEAEHN CCCOC[C@@](CO)(NC(C)C)c1ccccc1 ZINC000085286609 179004257 /nfs/dbraw/zinc/00/42/57/179004257.db2.gz KOOXIAOMDSTRPX-OAHLLOKOSA-N 0 3 251.370 2.299 10 0 CEAEHN Cc1ccc(OC[C@@](O)(CN)c2ccccc2)cc1 ZINC000085305937 179011972 /nfs/dbraw/zinc/01/19/72/179011972.db2.gz XUXZRLCSTUYTEP-INIZCTEOSA-N 0 3 257.333 2.220 10 0 CEAEHN CC[C@H]1COCCN1c1cccc(F)c1[C@H](C)N ZINC000109567782 136530070 /nfs/dbraw/zinc/53/00/70/136530070.db2.gz YNARWWZQRPIDFZ-QWRGUYRKSA-N 0 3 252.333 2.461 10 0 CEAEHN COC(CN[C@@H]1C[C@H](OCC(C)C)C1(C)C)OC ZINC000085400641 179051564 /nfs/dbraw/zinc/05/15/64/179051564.db2.gz LSWXZYMAQHSPIQ-NEPJUHHUSA-N 0 3 259.390 2.035 10 0 CEAEHN CN1CCN(CCNCc2ccoc2)c2ccccc21 ZINC000111463499 136562108 /nfs/dbraw/zinc/56/21/08/136562108.db2.gz RQRNEWGVOFIAFN-UHFFFAOYSA-N 0 3 271.364 2.326 10 0 CEAEHN O[C@H](Cc1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000085752778 179144458 /nfs/dbraw/zinc/14/44/58/179144458.db2.gz XNXFGBGPLRDHFC-MRXNPFEDSA-N 0 3 275.392 2.235 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000236906295 370651075 /nfs/dbraw/zinc/65/10/75/370651075.db2.gz AELXXJMUQGIPCL-UWVGGRQHSA-N 0 3 266.307 2.351 10 0 CEAEHN O=C(CNC[C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)cc1 ZINC000085987020 179212492 /nfs/dbraw/zinc/21/24/92/179212492.db2.gz FVTNMHFTFZOIBA-SMDDNHRTSA-N 0 3 296.798 2.419 10 0 CEAEHN C[C@@H]1CC[C@@H](NCc2nc3ccccc3c(=O)[nH]2)[C@@H]1C ZINC000086075550 179225737 /nfs/dbraw/zinc/22/57/37/179225737.db2.gz VVBCGMGKFMFOPL-NQBHXWOUSA-N 0 3 271.364 2.447 10 0 CEAEHN CCc1oc2ccccc2c1[C@H](N)[C@H]1CCS(=O)(=O)C1 ZINC000086022727 179218679 /nfs/dbraw/zinc/21/86/79/179218679.db2.gz FAYRVEHJMPPYHW-ZUZCIYMTSA-N 0 3 293.388 2.430 10 0 CEAEHN CC[C@H]1CC[C@H](NCc2c(OC)ncnc2OC)[C@@H]1C ZINC000086083923 179229080 /nfs/dbraw/zinc/22/90/80/179229080.db2.gz KDGMFKRWKRCEDT-MDZLAQPJSA-N 0 3 279.384 2.408 10 0 CEAEHN CC[C@H]1CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1C ZINC000086094708 179229438 /nfs/dbraw/zinc/22/94/38/179229438.db2.gz OCXSQSGHZWJVAH-OEAJRASXSA-N 0 3 274.408 2.497 10 0 CEAEHN CCOC[C@H](C)N1CCN[C@@](C)(c2ccccc2)C1 ZINC000086146016 179239206 /nfs/dbraw/zinc/23/92/06/179239206.db2.gz ZTPZRWXMKFBXJY-GOEBONIOSA-N 0 3 262.397 2.232 10 0 CEAEHN Cc1noc(CN2C[C@@](C)(c3ccccc3)NC[C@@H]2C)n1 ZINC000086260319 179259560 /nfs/dbraw/zinc/25/95/60/179259560.db2.gz NPLOIKPNNZHWLP-LRDDRELGSA-N 0 3 286.379 2.087 10 0 CEAEHN CC(C)N1C(=O)C[C@@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317445 179270111 /nfs/dbraw/zinc/27/01/11/179270111.db2.gz CKPKBXQTHCMTHH-WBMJQRKESA-N 0 3 269.348 2.244 10 0 CEAEHN CC(C)(C)N1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086443794 179293516 /nfs/dbraw/zinc/29/35/16/179293516.db2.gz XLDRBUSQEFDEQY-LLVKDONJSA-N 0 3 294.468 2.400 10 0 CEAEHN C[C@H]1CN(c2nc3c(s2)CCC[C@@H]3N)CC(C)(C)O1 ZINC000086443636 179293805 /nfs/dbraw/zinc/29/38/05/179293805.db2.gz XXOZILYBHXVLML-UWVGGRQHSA-N 0 3 281.425 2.483 10 0 CEAEHN CN(c1nc2c(s1)CCC[C@@H]2N)[C@@H]1CCSC1 ZINC000086442605 179293924 /nfs/dbraw/zinc/29/39/24/179293924.db2.gz XQARPNPRPNRPGM-BDAKNGLRSA-N 0 3 269.439 2.421 10 0 CEAEHN CCCN[C@H]1CCCc2sc(N3CCOCC3)nc21 ZINC000086442118 179293988 /nfs/dbraw/zinc/29/39/88/179293988.db2.gz RZYZLYHNAUZKFX-NSHDSACASA-N 0 3 281.425 2.357 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(F)cc2)[C@H](CC)CN1 ZINC000086446409 179294496 /nfs/dbraw/zinc/29/44/96/179294496.db2.gz PJMRTAHKBAKTFE-ZIAGYGMSSA-N 0 3 264.344 2.428 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccsc2)[C@@H](CC)CN1 ZINC000086446032 179295087 /nfs/dbraw/zinc/29/50/87/179295087.db2.gz PQKFTEPANLZBFS-RYUDHWBXSA-N 0 3 252.383 2.351 10 0 CEAEHN CCCN[C@H]1CCCc2sc(-c3nc[nH]n3)nc21 ZINC000086439987 179292910 /nfs/dbraw/zinc/29/29/10/179292910.db2.gz MHQWEMPFCOKVAQ-QMMMGPOBSA-N 0 3 263.370 2.305 10 0 CEAEHN N[C@H]1COC[C@@H]1c1nc2ccc(Cl)cc2s1 ZINC000086480053 179300220 /nfs/dbraw/zinc/30/02/20/179300220.db2.gz BGHOINTWAKXFPI-YUMQZZPRSA-N 0 3 254.742 2.391 10 0 CEAEHN CN(C)C[C@H](O)c1cscc1Br ZINC000086554668 179307433 /nfs/dbraw/zinc/30/74/33/179307433.db2.gz CCSZHHLPGKPISN-QMMMGPOBSA-N 0 3 250.161 2.106 10 0 CEAEHN COc1ccc([C@@H]2[C@H](CN)OCCN2C2CC2)cc1Cl ZINC000086584996 179309424 /nfs/dbraw/zinc/30/94/24/179309424.db2.gz VYWCGGGKRLSYDZ-LSDHHAIUSA-N 0 3 296.798 2.212 10 0 CEAEHN Cc1cnc([C@H](C)NC(=O)C[C@@H](N)c2ccccc2)o1 ZINC000231743553 539581197 /nfs/dbraw/zinc/58/11/97/539581197.db2.gz XZTAXDAJGYMSGB-WCQYABFASA-N 0 3 273.336 2.250 10 0 CEAEHN COc1ccc([C@H](CN)N2CCOCC2(C)C)cc1Cl ZINC000086586607 179310341 /nfs/dbraw/zinc/31/03/41/179310341.db2.gz YFAYFGIKOPIQHG-ZDUSSCGKSA-N 0 3 298.814 2.459 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC1=NC[C@@H](C)CS1 ZINC000086633004 179315370 /nfs/dbraw/zinc/31/53/70/179315370.db2.gz DLBIOTHSNVKTBH-NEPJUHHUSA-N 0 3 257.447 2.291 10 0 CEAEHN COC(=O)CCNCc1cc(F)cc(Br)c1 ZINC000086694533 179320970 /nfs/dbraw/zinc/32/09/70/179320970.db2.gz HVEQFLGLZKXOBE-UHFFFAOYSA-N 0 3 290.132 2.241 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@H]1N[C@@H]1CCc2ccccc21 ZINC000086671368 179317668 /nfs/dbraw/zinc/31/76/68/179317668.db2.gz OYPASWXGZRZSRW-RBSFLKMASA-N 0 3 279.405 2.229 10 0 CEAEHN Cc1nc2ccc(N[C@@H]3CCC[C@@H]3S(C)(=O)=O)cc2[nH]1 ZINC000086674535 179318598 /nfs/dbraw/zinc/31/85/98/179318598.db2.gz HNHSHKQSVQILDQ-OCCSQVGLSA-N 0 3 293.392 2.249 10 0 CEAEHN COC(=O)c1ccccc1CN1CCC[C@@H]1CCCO ZINC000130276638 365940306 /nfs/dbraw/zinc/94/03/06/365940306.db2.gz VGWWOPYUGNZENZ-CQSZACIVSA-N 0 3 277.364 2.210 10 0 CEAEHN CCC(CC)CN1CCC([N@@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000086776304 179328850 /nfs/dbraw/zinc/32/88/50/179328850.db2.gz LPKRHUMEWUPFGY-HNNXBMFYSA-N 0 3 282.428 2.436 10 0 CEAEHN CCC(CC)CN1CCC([N@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000086776304 179328853 /nfs/dbraw/zinc/32/88/53/179328853.db2.gz LPKRHUMEWUPFGY-HNNXBMFYSA-N 0 3 282.428 2.436 10 0 CEAEHN CCCN1CCC[C@@]([NH2+]C2CCCC2)(C(=O)[O-])CC1 ZINC000086850365 179357522 /nfs/dbraw/zinc/35/75/22/179357522.db2.gz BKHZTTGZAMQYJF-HNNXBMFYSA-N 0 3 268.401 2.238 10 0 CEAEHN COC(=O)C[C@](C)(N)c1ccccc1Br ZINC000086851293 179359679 /nfs/dbraw/zinc/35/96/79/179359679.db2.gz FKSXAZZGUKNBIA-NSHDSACASA-N 0 3 272.142 2.186 10 0 CEAEHN COC(=O)C[C@@](C)(N)c1ccc(F)c(Br)c1 ZINC000086851400 179359858 /nfs/dbraw/zinc/35/98/58/179359858.db2.gz STNJSSNVGIWKBU-LLVKDONJSA-N 0 3 290.132 2.325 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CC(=O)[O-])C(C)C)CC1 ZINC000086868756 179362462 /nfs/dbraw/zinc/36/24/62/179362462.db2.gz IHDNPOHKDVNXNR-CYBMUJFWSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CC(=O)[O-])C(C)C)CC1 ZINC000086868756 179362463 /nfs/dbraw/zinc/36/24/63/179362463.db2.gz IHDNPOHKDVNXNR-CYBMUJFWSA-N 0 3 256.390 2.046 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1ccccc1F ZINC000086979547 179373302 /nfs/dbraw/zinc/37/33/02/179373302.db2.gz QVLXZOBWAYLNMC-GFCCVEGCSA-N 0 3 259.346 2.040 10 0 CEAEHN CCS(=O)(=O)CCCNCCSc1ccccc1 ZINC000086973851 179371438 /nfs/dbraw/zinc/37/14/38/179371438.db2.gz QLLTYICJTHDBHS-UHFFFAOYSA-N 0 3 287.450 2.193 10 0 CEAEHN COc1ccc([C@H](CN)N(C)Cc2ccncc2)cc1F ZINC000086983599 179374205 /nfs/dbraw/zinc/37/42/05/179374205.db2.gz KWMQUKYHXWBRIP-HNNXBMFYSA-N 0 3 289.354 2.361 10 0 CEAEHN c1[nH]c([C@H]2CSCCS2)nc1CNC1CC1 ZINC000086985460 179374833 /nfs/dbraw/zinc/37/48/33/179374833.db2.gz CDHMVHAFTUKESF-SNVBAGLBSA-N 0 3 255.412 2.183 10 0 CEAEHN c1nc([C@H]2CSCCS2)[nH]c1CNC1CC1 ZINC000086985460 179374835 /nfs/dbraw/zinc/37/48/35/179374835.db2.gz CDHMVHAFTUKESF-SNVBAGLBSA-N 0 3 255.412 2.183 10 0 CEAEHN CCC1CCC(O)(CN[C@H](C)c2cc[nH]n2)CC1 ZINC000087053425 179388538 /nfs/dbraw/zinc/38/85/38/179388538.db2.gz RPCUUDWKTCEKNO-LKSINWNRSA-N 0 3 251.374 2.392 10 0 CEAEHN C[C@H](NC[C@]1(O)CCC[C@@H](C)C1)c1nccn1C ZINC000087050003 179388893 /nfs/dbraw/zinc/38/88/93/179388893.db2.gz SBDBUUKEELMSRE-DYEKYZERSA-N 0 3 251.374 2.012 10 0 CEAEHN O[C@]1(Cc2cccc(F)c2F)CCN(C2CC2)C1 ZINC000087166282 179398475 /nfs/dbraw/zinc/39/84/75/179398475.db2.gz UEIUHMBRPJQMIO-AWEZNQCLSA-N 0 3 253.292 2.107 10 0 CEAEHN CN1CCC(O)(Cc2ccc(F)cc2Cl)CC1 ZINC000087165789 179398607 /nfs/dbraw/zinc/39/86/07/179398607.db2.gz ITQPJHGARYHXPU-UHFFFAOYSA-N 0 3 257.736 2.478 10 0 CEAEHN CC(C)N1CCOC[C@H](c2ccccc2CCO)C1 ZINC000616660605 348551867 /nfs/dbraw/zinc/55/18/67/348551867.db2.gz OJKVTUBJVASBBO-OAHLLOKOSA-N 0 3 263.381 2.046 10 0 CEAEHN CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CNCCN2)cc1 ZINC000616631377 348541388 /nfs/dbraw/zinc/54/13/88/348541388.db2.gz ZHFVPBHXTCIQSN-CQSZACIVSA-N 0 3 291.395 2.292 10 0 CEAEHN CC(C)N1CCCO[C@H](c2ccccc2CCO)C1 ZINC000616649432 348546723 /nfs/dbraw/zinc/54/67/23/348546723.db2.gz JMWWZPCWEWGWPM-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN CC(C)(C)N1CCCO[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616652240 348548693 /nfs/dbraw/zinc/54/86/93/348548693.db2.gz FOOULUGDJVAAPC-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN CCCN[C@@H](c1cncnc1)[C@H]1COc2ccccc2O1 ZINC000087860070 179503659 /nfs/dbraw/zinc/50/36/59/179503659.db2.gz JENZANXLZMXSHX-CVEARBPZSA-N 0 3 285.347 2.357 10 0 CEAEHN CC(C)(C)N1CCOCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616597803 348529542 /nfs/dbraw/zinc/52/95/42/348529542.db2.gz KXZIUCHMWBLHEK-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN CC(C)[C@@H]1CCOCCN1CCNC(=O)OC(C)(C)C ZINC000616599041 348529957 /nfs/dbraw/zinc/52/99/57/348529957.db2.gz WLMWHVMERMEWEA-ZDUSSCGKSA-N 0 3 286.416 2.258 10 0 CEAEHN OCCN1CCC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616621790 348537977 /nfs/dbraw/zinc/53/79/77/348537977.db2.gz YXDFBDWDQDSOBG-OAHLLOKOSA-N 0 3 256.349 2.407 10 0 CEAEHN CCOC(=O)CCNCCOc1ccccc1OCC ZINC000088400689 179592768 /nfs/dbraw/zinc/59/27/68/179592768.db2.gz KONNCPGIBYGDBI-UHFFFAOYSA-N 0 3 281.352 2.007 10 0 CEAEHN C[C@H](C(=O)c1ccc(F)c(F)c1)N(C)CCN(C)C ZINC000104203194 185929677 /nfs/dbraw/zinc/92/96/77/185929677.db2.gz SCINMYVBOBJKMM-SNVBAGLBSA-N 0 3 270.323 2.029 10 0 CEAEHN CN[C@@H](Cc1nn(C)c2ccccc12)c1ccccn1 ZINC000089177424 179742510 /nfs/dbraw/zinc/74/25/10/179742510.db2.gz ICKGEBPSCUPUIQ-HNNXBMFYSA-N 0 3 266.348 2.472 10 0 CEAEHN C[C@H]1CN(CC2(CO)CCCCCC2)C[C@H](C)O1 ZINC000089574901 179822008 /nfs/dbraw/zinc/82/20/08/179822008.db2.gz JMANCSFOEDSPCR-KBPBESRZSA-N 0 3 255.402 2.429 10 0 CEAEHN C[C@H](NC[C@@](C)(O)CO)c1ccc(Cl)c(Cl)c1 ZINC000090286621 179949708 /nfs/dbraw/zinc/94/97/08/179949708.db2.gz DAORROKMHCCMHX-QPUJVOFHSA-N 0 3 278.179 2.387 10 0 CEAEHN CCCN[C@@H](CCCS(C)(=O)=O)c1cc(C)ccn1 ZINC000104411148 185992234 /nfs/dbraw/zinc/99/22/34/185992234.db2.gz RSFYGKCVNNVTMY-ZDUSSCGKSA-N 0 3 284.425 2.256 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1c(Cl)oc2ccccc21 ZINC000623767349 350107174 /nfs/dbraw/zinc/10/71/74/350107174.db2.gz UMNQVZJAZJRZED-NEPJUHHUSA-N 0 3 281.739 2.326 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1c(Cl)oc2ccccc21 ZINC000623767351 350107682 /nfs/dbraw/zinc/10/76/82/350107682.db2.gz UMNQVZJAZJRZED-RYUDHWBXSA-N 0 3 281.739 2.326 10 0 CEAEHN CC1(CNC(=O)c2c[nH]c(=NN)c(Cl)c2)CCCC1 ZINC000104436514 186001029 /nfs/dbraw/zinc/00/10/29/186001029.db2.gz PRBQNSOXCWFETP-UHFFFAOYSA-N 0 3 282.775 2.331 10 0 CEAEHN C[C@@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)COC[C@@H]1N ZINC000090580619 180008424 /nfs/dbraw/zinc/00/84/24/180008424.db2.gz JFQQYILDZDUXIB-CMPLNLGQSA-N 0 3 289.162 2.296 10 0 CEAEHN CCC[C@H](NC(=O)[C@]1(C)COC[C@@H]1N)c1cccs1 ZINC000090600530 180011292 /nfs/dbraw/zinc/01/12/92/180011292.db2.gz NUCQBYDDWKOVAB-VHRBIJSZSA-N 0 3 282.409 2.069 10 0 CEAEHN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1cn(CCCO)nn1 ZINC000090638245 180017425 /nfs/dbraw/zinc/01/74/25/180017425.db2.gz KORLZPKHQDPFRG-HUUCEWRRSA-N 0 3 294.443 2.355 10 0 CEAEHN C[C@@H](Oc1nc2c(cc1CN)CCC2)C(F)(F)F ZINC000090671287 180021245 /nfs/dbraw/zinc/02/12/45/180021245.db2.gz BAWWVXKFVCOITH-SSDOTTSWSA-N 0 3 260.259 2.359 10 0 CEAEHN COc1ccc(OC)c([C@H](C)NC[C@@H](C)[S@](C)=O)c1 ZINC000090842821 180044304 /nfs/dbraw/zinc/04/43/04/180044304.db2.gz WERSMMIBVOTACD-RMDKCXRXSA-N 0 3 285.409 2.121 10 0 CEAEHN COc1ccc(OC)c([C@H](C)NC[C@H](C)[S@](C)=O)c1 ZINC000090842820 180044554 /nfs/dbraw/zinc/04/45/54/180044554.db2.gz WERSMMIBVOTACD-ZHYXMNDGSA-N 0 3 285.409 2.121 10 0 CEAEHN CCNCc1cnn(C[C@@H]2Cc3ccccc3O2)c1C ZINC000090877742 180051948 /nfs/dbraw/zinc/05/19/48/180051948.db2.gz NJNAWRVWNUHKNZ-HNNXBMFYSA-N 0 3 271.364 2.305 10 0 CEAEHN COc1ncccc1CNC[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892207 180053970 /nfs/dbraw/zinc/05/39/70/180053970.db2.gz ZPDIJIPQJSXOJA-AWEZNQCLSA-N 0 3 288.322 2.323 10 0 CEAEHN CCNCc1nccn1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900415 180058863 /nfs/dbraw/zinc/05/88/63/180058863.db2.gz CLBNXJRTTINFQM-AWEZNQCLSA-N 0 3 271.364 2.305 10 0 CEAEHN Cc1ccc2c(c1)C[C@H](CN1CCCC[C@@H]1CO)O2 ZINC000090900905 180059014 /nfs/dbraw/zinc/05/90/14/180059014.db2.gz SUNJZUIGEYJGED-HUUCEWRRSA-N 0 3 261.365 2.145 10 0 CEAEHN CCOCn1cc(CNCCOC)c2ccccc21 ZINC000090995658 180082957 /nfs/dbraw/zinc/08/29/57/180082957.db2.gz DJZPBGBWIZSMNN-UHFFFAOYSA-N 0 3 262.353 2.371 10 0 CEAEHN CCNCc1cccn1CC(=O)Nc1cccc(F)c1 ZINC000090995964 180083367 /nfs/dbraw/zinc/08/33/67/180083367.db2.gz NBAVEKFJDUHYCZ-UHFFFAOYSA-N 0 3 275.327 2.375 10 0 CEAEHN Cc1nn(C)c(Cn2cccc2CNC2CC2)c1Cl ZINC000091001393 180083520 /nfs/dbraw/zinc/08/35/20/180083520.db2.gz LTWGMYUHIMNNFJ-UHFFFAOYSA-N 0 3 278.787 2.484 10 0 CEAEHN Cc1nc(Cn2ccnc2CNCC(C)C)cs1 ZINC000091002834 180084033 /nfs/dbraw/zinc/08/40/33/180084033.db2.gz OSYHDWIICVSYDX-UHFFFAOYSA-N 0 3 264.398 2.442 10 0 CEAEHN CCn1cccc1CN[C@@H](CO)Cc1ccccc1 ZINC000091127764 180099465 /nfs/dbraw/zinc/09/94/65/180099465.db2.gz BISVCDWIXQKCSC-OAHLLOKOSA-N 0 3 258.365 2.201 10 0 CEAEHN C[C@H](NC(=O)C[C@H]1CSCCN1)c1cccc(F)c1 ZINC000091138106 180105373 /nfs/dbraw/zinc/10/53/73/180105373.db2.gz ZXTNPSVTVDGOSY-GWCFXTLKSA-N 0 3 282.384 2.098 10 0 CEAEHN C[C@@H](NC(=O)C[C@H]1CSCCN1)c1cccc(F)c1 ZINC000091138108 180105825 /nfs/dbraw/zinc/10/58/25/180105825.db2.gz ZXTNPSVTVDGOSY-MFKMUULPSA-N 0 3 282.384 2.098 10 0 CEAEHN CCN(CC[C@H]1CNCCO1)c1ccccc1F ZINC000091314103 180133399 /nfs/dbraw/zinc/13/33/99/180133399.db2.gz ISBMKNSNPQIKNX-LBPRGKRZSA-N 0 3 252.333 2.031 10 0 CEAEHN CCCc1c(CN)cnn1-c1ccc(Br)cn1 ZINC000091339884 180136151 /nfs/dbraw/zinc/13/61/51/180136151.db2.gz NSAMQXPSSSUVBZ-UHFFFAOYSA-N 0 3 295.184 2.441 10 0 CEAEHN CCNCc1cnn(-c2ccccn2)c1C(F)F ZINC000091335622 180136547 /nfs/dbraw/zinc/13/65/47/180136547.db2.gz HYDPKCQVBNOZGN-UHFFFAOYSA-N 0 3 252.268 2.314 10 0 CEAEHN CNCc1cnn(-c2cc(C)ccn2)c1C(F)F ZINC000091338342 180136623 /nfs/dbraw/zinc/13/66/23/180136623.db2.gz FCFIZRNHOJOQKB-UHFFFAOYSA-N 0 3 252.268 2.233 10 0 CEAEHN Cc1ccc([C@@H](NCC[S@](C)=O)C2CC2)cc1 ZINC000091341692 180137315 /nfs/dbraw/zinc/13/73/15/180137315.db2.gz WYKWUIQGDMUYLK-RHSMWYFYSA-N 0 3 251.395 2.414 10 0 CEAEHN CN(CC(C)(C)C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276461 180120508 /nfs/dbraw/zinc/12/05/08/180120508.db2.gz VOXQQFDECFPJDA-LBPRGKRZSA-N 0 3 250.390 2.196 10 0 CEAEHN CN(CC1CC(O)C1)[C@H](CN)c1ccc(Cl)s1 ZINC000091464609 180163324 /nfs/dbraw/zinc/16/33/24/180163324.db2.gz DPGDRGJNNAGWGL-UDNWOFFPSA-N 0 3 274.817 2.104 10 0 CEAEHN Cc1ccc(C)c([C@@H](N)C(C)(C)N2CCOCC2)c1 ZINC000091566306 180193952 /nfs/dbraw/zinc/19/39/52/180193952.db2.gz LDIVOEAAVXHGHR-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN CCN[C@H](c1cnccc1N)[C@](C)(CC)N(C)C ZINC000091571208 180195749 /nfs/dbraw/zinc/19/57/49/180195749.db2.gz WNNFZCXFRMDGGQ-KGLIPLIRSA-N 0 3 250.390 2.045 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccc(OC)cc1)N1CCOCC1 ZINC000091611571 180206735 /nfs/dbraw/zinc/20/67/35/180206735.db2.gz ONNJOPJSLNTXJC-HOTGVXAUSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCN1C(=O)C[C@@H](NCCc2ccc(Cl)cc2)C1=O ZINC000104929526 186033075 /nfs/dbraw/zinc/03/30/75/186033075.db2.gz MHBMUFPFSRFWQJ-CYBMUJFWSA-N 0 3 294.782 2.010 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091611927 180207080 /nfs/dbraw/zinc/20/70/80/180207080.db2.gz BXIPGYAFNCATNA-GJZGRUSLSA-N 0 3 284.350 2.466 10 0 CEAEHN CCN[C@H](c1cncnc1)C(CC)(CC)N(C)C ZINC000091614662 180207794 /nfs/dbraw/zinc/20/77/94/180207794.db2.gz GJMAKANBSXTUDC-CYBMUJFWSA-N 0 3 250.390 2.248 10 0 CEAEHN Cc1nn(C)c(C[C@@H](O)C(C)(C)N2CCCC2)c1Cl ZINC000091533419 180181295 /nfs/dbraw/zinc/18/12/95/180181295.db2.gz KNSNKNIPMQXIGQ-GFCCVEGCSA-N 0 3 285.819 2.160 10 0 CEAEHN CCN[C@H](c1nccn1CC)C1(N(C)C)CCCC1 ZINC000091638134 180212077 /nfs/dbraw/zinc/21/20/77/180212077.db2.gz BPEMUEFQPCIAEB-CYBMUJFWSA-N 0 3 264.417 2.428 10 0 CEAEHN CCCn1ncnc1CC(=O)[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000091650731 180216397 /nfs/dbraw/zinc/21/63/97/180216397.db2.gz IRZDYOOEUYNXPA-XJKSGUPXSA-N 0 3 292.427 2.310 10 0 CEAEHN CN[C@@H](c1nccn1C)C1(N(C)C)CCC(C)CC1 ZINC000091649126 180216678 /nfs/dbraw/zinc/21/66/78/180216678.db2.gz IBKDPJMHYIBWDS-OWYJLGKBSA-N 0 3 264.417 2.191 10 0 CEAEHN CN1CCC[C@H](CNc2nc(Cl)ncc2F)C1 ZINC000091655513 180217827 /nfs/dbraw/zinc/21/78/27/180217827.db2.gz GUCMTENPFHNYJF-MRVPVSSYSA-N 0 3 258.728 2.023 10 0 CEAEHN Nc1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(Cl)c1 ZINC000091662821 180220072 /nfs/dbraw/zinc/22/00/72/180220072.db2.gz FDIZFRBPEMNCNS-VXGBXAGGSA-N 0 3 281.787 2.197 10 0 CEAEHN CCOc1ccccc1[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000091666722 180222128 /nfs/dbraw/zinc/22/21/28/180222128.db2.gz JZVHYXGJGJJZPB-KBPBESRZSA-N 0 3 278.396 2.067 10 0 CEAEHN Cc1ccsc1[C@@H](C)NC[C@H]1CN(C)CCO1 ZINC000091667214 180223208 /nfs/dbraw/zinc/22/32/08/180223208.db2.gz LHRUTDRVDAFBQV-NEPJUHHUSA-N 0 3 254.399 2.038 10 0 CEAEHN Cc1ccsc1[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000091667215 180223235 /nfs/dbraw/zinc/22/32/35/180223235.db2.gz LHRUTDRVDAFBQV-RYUDHWBXSA-N 0 3 254.399 2.038 10 0 CEAEHN Cc1cc2c(n1C[C@@H]1CN3CCC[C@@H]3CO1)CCC[C@@H]2O ZINC000091679049 180225430 /nfs/dbraw/zinc/22/54/30/180225430.db2.gz DAHBGWULBLBLDH-KEYYUXOJSA-N 0 3 290.407 2.029 10 0 CEAEHN O[C@H](c1cccc(Cl)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091715461 180232426 /nfs/dbraw/zinc/23/24/26/180232426.db2.gz ZWTPXANSOARXJO-MGPQQGTHSA-N 0 3 267.756 2.237 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1F)[C@@H]1CN(C)CCO1 ZINC000091718719 180233493 /nfs/dbraw/zinc/23/34/93/180233493.db2.gz GEEYMPAQNNUQQB-LSDHHAIUSA-N 0 3 266.360 2.115 10 0 CEAEHN CCN[C@H](C)c1sc([C@H]2CN(C)CCO2)nc1C ZINC000091722425 180239601 /nfs/dbraw/zinc/23/96/01/180239601.db2.gz VEIGEHNJENXWKP-MWLCHTKSSA-N 0 3 269.414 2.125 10 0 CEAEHN CCCN[C@@H](c1ccc(F)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719282 180234347 /nfs/dbraw/zinc/23/43/47/180234347.db2.gz RFVLIMFCPWKXDB-GJZGRUSLSA-N 0 3 284.350 2.336 10 0 CEAEHN N[C@H](Cc1ccc(Cl)s1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720494 180235740 /nfs/dbraw/zinc/23/57/40/180235740.db2.gz UNERCHWNKACLOX-JLLWLGSASA-N 0 3 286.828 2.135 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccc(Cl)s1 ZINC000624235089 350238590 /nfs/dbraw/zinc/23/85/90/350238590.db2.gz DFMMYHJFFSGKGD-YIZRAAEISA-N 0 3 261.774 2.202 10 0 CEAEHN CN[C@@H](C)c1cccn1CC(=O)N1CCCCCC1 ZINC000091800446 180259397 /nfs/dbraw/zinc/25/93/97/180259397.db2.gz BBMJBWCJVDJEHL-ZDUSSCGKSA-N 0 3 263.385 2.171 10 0 CEAEHN Cc1noc(C)c1CN(C)C1CCC2(CC1)OCCO2 ZINC000091853486 180273483 /nfs/dbraw/zinc/27/34/83/180273483.db2.gz MUMQQMDCEXSNAM-UHFFFAOYSA-N 0 3 280.368 2.409 10 0 CEAEHN CC[NH2+]C1CCC(N(C)C(=O)c2cccc([O-])c2)CC1 ZINC000091869646 180276126 /nfs/dbraw/zinc/27/61/26/180276126.db2.gz UPOCNDURBFSNDT-UHFFFAOYSA-N 0 3 276.380 2.385 10 0 CEAEHN CCNCc1ncoc1-c1ccc2c(c1)OCCO2 ZINC000091957704 180292737 /nfs/dbraw/zinc/29/27/37/180292737.db2.gz HGLZVTLUZAQJBY-UHFFFAOYSA-N 0 3 260.293 2.222 10 0 CEAEHN CCN1CCO[C@H](COc2ccc(Cl)cc2[C@@H](C)N)C1 ZINC000092051234 180312794 /nfs/dbraw/zinc/31/27/94/180312794.db2.gz NVRYZSAIBLBKOQ-YPMHNXCESA-N 0 3 298.814 2.459 10 0 CEAEHN CC1CCN(C(=O)N[C@H]2c3ccccc3C[C@H]2N)CC1 ZINC000091993160 180300378 /nfs/dbraw/zinc/30/03/78/180300378.db2.gz HSLQLURAHGSVQR-CABCVRRESA-N 0 3 273.380 2.053 10 0 CEAEHN CCNCc1nc(C)ccc1OC[C@@H]1CCCO1 ZINC000091994893 180301179 /nfs/dbraw/zinc/30/11/79/180301179.db2.gz ZHIKXVFGDRFKBV-LBPRGKRZSA-N 0 3 250.342 2.057 10 0 CEAEHN Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(CNC(C)(C)C)n1 ZINC000091996184 180302131 /nfs/dbraw/zinc/30/21/31/180302131.db2.gz FPFDMLVBKYABRT-LBPRGKRZSA-N 0 3 293.411 2.134 10 0 CEAEHN CCOC[C@@H](O)COc1ccc(C)nc1CNC(C)(C)C ZINC000091996049 180302502 /nfs/dbraw/zinc/30/25/02/180302502.db2.gz ANFSPSUMDVMWHC-CYBMUJFWSA-N 0 3 296.411 2.054 10 0 CEAEHN Cc1ccc(OCC(C)(C)O)c(CNCC(C)C)n1 ZINC000091996422 180302548 /nfs/dbraw/zinc/30/25/48/180302548.db2.gz LQRFEQVVQQOJSO-UHFFFAOYSA-N 0 3 266.385 2.285 10 0 CEAEHN CCNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000092023870 180308439 /nfs/dbraw/zinc/30/84/39/180308439.db2.gz BKZLCSQIYXXHCL-CVEARBPZSA-N 0 3 287.407 2.427 10 0 CEAEHN CCC[NH2+]Cc1ccc(S(=O)(=O)[N-]C(C)C)c(F)c1 ZINC000092115782 180327353 /nfs/dbraw/zinc/32/73/53/180327353.db2.gz YVKJBVUYSLHZBG-UHFFFAOYSA-N 0 3 288.388 2.012 10 0 CEAEHN Cc1ccc(NC(=O)CN2C[C@H](C)[C@@H](C)C2)cc1N ZINC000092081437 180319310 /nfs/dbraw/zinc/31/93/10/180319310.db2.gz GJZMBELFJYJYAW-RYUDHWBXSA-N 0 3 261.369 2.104 10 0 CEAEHN C[C@@H]1CN(Cc2cc3c(cc2N)OCCO3)C[C@H]1C ZINC000092080862 180319863 /nfs/dbraw/zinc/31/98/63/180319863.db2.gz ZPGDCPJRIJBRDI-GHMZBOCLSA-N 0 3 262.353 2.128 10 0 CEAEHN CN[C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1cc(C)ccc1C ZINC000092094042 180323208 /nfs/dbraw/zinc/32/32/08/180323208.db2.gz FJUIFDZZUNRXEJ-GUTXKFCHSA-N 0 3 288.391 2.205 10 0 CEAEHN CSc1ccc(C(=O)N2[C@H](C)CNC[C@@H]2C)cc1 ZINC000092232193 180348369 /nfs/dbraw/zinc/34/83/69/180348369.db2.gz KVSNCMPZPOBERZ-PHIMTYICSA-N 0 3 264.394 2.231 10 0 CEAEHN CN[C@H](CN1C(=O)C[C@H](C)C1=O)c1c(C)cc(C)cc1C ZINC000105832660 186075685 /nfs/dbraw/zinc/07/56/85/186075685.db2.gz FJTOEBVNQUYULS-UONOGXRCSA-N 0 3 288.391 2.267 10 0 CEAEHN CO[C@H]1CCCC[C@H]1NCc1c(C)nn(C)c1C ZINC000092325246 180362732 /nfs/dbraw/zinc/36/27/32/180362732.db2.gz JEHSVQLEEWKFLX-KGLIPLIRSA-N 0 3 251.374 2.084 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2cccc(Cl)c2)C[C@H]1C ZINC000106097744 186101461 /nfs/dbraw/zinc/10/14/61/186101461.db2.gz PMDQUUYDHKKATJ-CHWSQXEVSA-N 0 3 282.815 2.227 10 0 CEAEHN CCC[C@H](CC)N[C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000106534163 186124961 /nfs/dbraw/zinc/12/49/61/186124961.db2.gz YNBIVCZPCPGAPP-AAEUAGOBSA-N 0 3 268.401 2.471 10 0 CEAEHN CCCOCCO[C@@H]1CCc2ccc(OC)cc2[C@H]1N ZINC000092386825 180374042 /nfs/dbraw/zinc/37/40/42/180374042.db2.gz SEGWJKLDCYGKRA-HZPDHXFCSA-N 0 3 279.380 2.453 10 0 CEAEHN Cc1ccc(Cn2cc(C(C)(C)N)nn2)c(Cl)c1 ZINC000235874159 539799597 /nfs/dbraw/zinc/79/95/97/539799597.db2.gz IZTMDFQTFQBMRV-UHFFFAOYSA-N 0 3 264.760 2.482 10 0 CEAEHN COc1c(C)cnc(CN2[C@@H]3CC[C@H]2CC(O)C3)c1C ZINC000107925511 186198161 /nfs/dbraw/zinc/19/81/61/186198161.db2.gz YRHRGHKVNSAICG-PBWFPOADSA-N 0 3 276.380 2.195 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000625606844 350535054 /nfs/dbraw/zinc/53/50/54/350535054.db2.gz RMMCCIWCEBHTRH-OLZOCXBDSA-N 0 3 274.364 2.009 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000625606844 350535058 /nfs/dbraw/zinc/53/50/58/350535058.db2.gz RMMCCIWCEBHTRH-OLZOCXBDSA-N 0 3 274.364 2.009 10 0 CEAEHN C[C@H](NCCc1cscn1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000108941815 186236851 /nfs/dbraw/zinc/23/68/51/186236851.db2.gz DWPRSRVHSCWRKK-VIFPVBQESA-N 0 3 288.376 2.206 10 0 CEAEHN CCCN[C@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496116 186256390 /nfs/dbraw/zinc/25/63/90/186256390.db2.gz JTGJTWHBOLHNRQ-LLVKDONJSA-N 0 3 254.378 2.015 10 0 CEAEHN NCc1cc(OC[C@H]2CCCO2)c2ccccc2n1 ZINC000109590215 186264948 /nfs/dbraw/zinc/26/49/48/186264948.db2.gz OTPBIIQORDGNTP-GFCCVEGCSA-N 0 3 258.321 2.251 10 0 CEAEHN Cn1cnnc1CCN[C@H]1CCSc2ccccc21 ZINC000109421063 186251492 /nfs/dbraw/zinc/25/14/92/186251492.db2.gz QCSMXRABPTZCRW-LBPRGKRZSA-N 0 3 274.393 2.184 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCCc2cccc(F)c2)C1 ZINC000109402767 186251864 /nfs/dbraw/zinc/25/18/64/186251864.db2.gz XAYQWGXOEOVCIE-HNNXBMFYSA-N 0 3 293.386 2.104 10 0 CEAEHN Cn1cnnc1CCNc1ccnc2ccccc21 ZINC000109424236 186252059 /nfs/dbraw/zinc/25/20/59/186252059.db2.gz LAIOIZZHGSVOID-UHFFFAOYSA-N 0 3 253.309 2.018 10 0 CEAEHN Cc1ccc(C)c(CN2CCN([C@@H](C)C(N)=S)CC2)c1 ZINC000109467954 186253620 /nfs/dbraw/zinc/25/36/20/186253620.db2.gz RGLZHZUFKDSNTG-AWEZNQCLSA-N 0 3 291.464 2.096 10 0 CEAEHN CC[C@H](C(N)=S)N1CCN(C2CCCCC2)CC1 ZINC000109469671 186254332 /nfs/dbraw/zinc/25/43/32/186254332.db2.gz GPDPZTXJOJZHGZ-CYBMUJFWSA-N 0 3 269.458 2.001 10 0 CEAEHN CCN(CC)CCc1noc([C@H](C(C)=O)C(C)C)n1 ZINC000109477898 186254707 /nfs/dbraw/zinc/25/47/07/186254707.db2.gz WYFWHYSSBULTMS-ZDUSSCGKSA-N 0 3 267.373 2.283 10 0 CEAEHN CCC[C@H](C)CN1CCN(C(C)(C)C(N)=S)CC1 ZINC000109470820 186255281 /nfs/dbraw/zinc/25/52/81/186255281.db2.gz AYMSYFVXPBHHOR-LBPRGKRZSA-N 0 3 271.474 2.105 10 0 CEAEHN Clc1cc(CNC2CC2)cnc1O[C@H]1CCOC1 ZINC000110532693 186302119 /nfs/dbraw/zinc/30/21/19/186302119.db2.gz XKLOKRCYEMZCFT-NSHDSACASA-N 0 3 268.744 2.155 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@@H](C)Cn1cccn1 ZINC000110629715 186307488 /nfs/dbraw/zinc/30/74/88/186307488.db2.gz VSAJATGIEXAFFF-VIFPVBQESA-N 0 3 289.314 2.224 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2C[C@@H]1CCCCO1 ZINC000110629898 186308025 /nfs/dbraw/zinc/30/80/25/186308025.db2.gz VLOGOJABENWJAD-VIFPVBQESA-N 0 3 279.315 2.335 10 0 CEAEHN COCCN([C@@H](CN)c1ccc(C)c(F)c1)C1CC1 ZINC000110977495 186338982 /nfs/dbraw/zinc/33/89/82/186338982.db2.gz FKUXINIJHQKZOP-HNNXBMFYSA-N 0 3 266.360 2.245 10 0 CEAEHN CC[C@@H]1CN(Cc2cc(N)ccc2Cl)CCN1C ZINC000110703459 186314829 /nfs/dbraw/zinc/31/48/29/186314829.db2.gz BDIBPJOUFAAFOQ-CYBMUJFWSA-N 0 3 267.804 2.448 10 0 CEAEHN COc1ccc([C@H](O)[C@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110736518 186318612 /nfs/dbraw/zinc/31/86/12/186318612.db2.gz UYCYOCGRGPJVDP-XJKSGUPXSA-N 0 3 292.423 2.143 10 0 CEAEHN CCOc1ccccc1[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000110736540 186319595 /nfs/dbraw/zinc/31/95/95/186319595.db2.gz LZFULISVFNIZMW-OAHLLOKOSA-N 0 3 292.423 2.145 10 0 CEAEHN CC[C@@H]1CN(Cc2c3ccccc3oc2CN)CCN1C ZINC000110753587 186321228 /nfs/dbraw/zinc/32/12/28/186321228.db2.gz CFYRIYSUBRVJBQ-CYBMUJFWSA-N 0 3 287.407 2.418 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111032606 186346537 /nfs/dbraw/zinc/34/65/37/186346537.db2.gz GDVCJGHUYOVKPE-LLVKDONJSA-N 0 3 295.427 2.380 10 0 CEAEHN CN(Cc1cc(F)ccc1N)C[C@H]1CCCOC1 ZINC000111154897 186360446 /nfs/dbraw/zinc/36/04/46/186360446.db2.gz MTBKTWBEUZKHRE-LLVKDONJSA-N 0 3 252.333 2.266 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)CC2CCOCC2)n1 ZINC000111153808 186360569 /nfs/dbraw/zinc/36/05/69/186360569.db2.gz DJMQYZKJAPEXOX-UHFFFAOYSA-N 0 3 263.385 2.020 10 0 CEAEHN CCCNc1ccc(C(=O)N(C)CCN(C)C)cc1 ZINC000111151562 186360602 /nfs/dbraw/zinc/36/06/02/186360602.db2.gz WJWPNHWCLYYCPX-UHFFFAOYSA-N 0 3 263.385 2.142 10 0 CEAEHN CN(CC1CCOCC1)[C@@H](CN)c1cccc(F)c1F ZINC000111159325 186362549 /nfs/dbraw/zinc/36/25/49/186362549.db2.gz AYZSUPDFAGLOFU-AWEZNQCLSA-N 0 3 284.350 2.323 10 0 CEAEHN CCOCCN(CC)c1ccccc1CNCCOC ZINC000111120642 186354267 /nfs/dbraw/zinc/35/42/67/186354267.db2.gz ODYHPXDILFJXML-UHFFFAOYSA-N 0 3 280.412 2.285 10 0 CEAEHN CCOCCN(CC)C[C@@H](NC)c1ccccc1OC ZINC000111118128 186355466 /nfs/dbraw/zinc/35/54/66/186355466.db2.gz AKVNKQYAISYJLN-OAHLLOKOSA-N 0 3 280.412 2.314 10 0 CEAEHN CN(CCC[NH+](C)C)c1c(C(=O)[O-])cnc2ccccc21 ZINC000111139996 186357104 /nfs/dbraw/zinc/35/71/04/186357104.db2.gz BFYLVRSLFCMAEG-UHFFFAOYSA-N 0 3 287.363 2.321 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160988 186363584 /nfs/dbraw/zinc/36/35/84/186363584.db2.gz FVKUFFILRBAWSG-QRTARXTBSA-N 0 3 290.407 2.067 10 0 CEAEHN CNCc1c(C)cc(C)nc1N(C)C[C@@H]1CCCOC1 ZINC000111173850 186364708 /nfs/dbraw/zinc/36/47/08/186364708.db2.gz OPHBIGBIPFNUTJ-AWEZNQCLSA-N 0 3 277.412 2.281 10 0 CEAEHN NCc1ccc(NC(=O)[C@@H]2CCOc3ccccc32)nc1 ZINC000111184228 186366650 /nfs/dbraw/zinc/36/66/50/186366650.db2.gz PJZYRPXLUYOMDQ-CYBMUJFWSA-N 0 3 283.331 2.045 10 0 CEAEHN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN)cn1 ZINC000111282089 186388780 /nfs/dbraw/zinc/38/87/80/186388780.db2.gz MFKYABDFOCQJJL-ZDUSSCGKSA-N 0 3 283.375 2.291 10 0 CEAEHN N[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(F)ccc1F ZINC000111367724 186408094 /nfs/dbraw/zinc/40/80/94/186408094.db2.gz KSKUGMUJNLWKKP-LSDHHAIUSA-N 0 3 288.297 2.319 10 0 CEAEHN CCN[C@@H](Cn1cnccc1=O)c1cc(C)ccc1C ZINC000111401451 186413636 /nfs/dbraw/zinc/41/36/36/186413636.db2.gz YDAOQGFNWMEFSO-HNNXBMFYSA-N 0 3 271.364 2.211 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCn2cc(C)cn2)c1C ZINC000124079930 187121914 /nfs/dbraw/zinc/12/19/14/187121914.db2.gz YGKBDNLRLAZQNR-GFCCVEGCSA-N 0 3 275.400 2.376 10 0 CEAEHN COc1ccc([C@H](C)NC[C@@H](C)N2CCOCC2)cc1F ZINC000123306130 187083865 /nfs/dbraw/zinc/08/38/65/187083865.db2.gz WCDOTLFSJBAHTJ-OLZOCXBDSA-N 0 3 296.386 2.206 10 0 CEAEHN CCOC(=O)c1ccc(CN(C)C[C@@H]2CCCN2CC)o1 ZINC000123445628 187092269 /nfs/dbraw/zinc/09/22/69/187092269.db2.gz JGMNSZHVONDHAS-ZDUSSCGKSA-N 0 3 294.395 2.372 10 0 CEAEHN CC[C@@H](O)CN1CCN(CC2CCC(C)CC2)CC1 ZINC000123623199 187100907 /nfs/dbraw/zinc/10/09/07/187100907.db2.gz BGFWWKIWLYXPJN-UYSNPLJNSA-N 0 3 268.445 2.201 10 0 CEAEHN O=C(CCN[C@@H]1CCc2c1cccc2O)N1CCCCC1 ZINC000123763448 187108096 /nfs/dbraw/zinc/10/80/96/187108096.db2.gz KXNYLSQCHJHGCD-OAHLLOKOSA-N 0 3 288.391 2.372 10 0 CEAEHN CCc1cc(N(C)C[C@@H](O)COC)c2ccccc2n1 ZINC000123978846 187116761 /nfs/dbraw/zinc/11/67/61/187116761.db2.gz NOKDUQPLUWMLIC-CYBMUJFWSA-N 0 3 274.364 2.241 10 0 CEAEHN Brc1ccc2c(ccnc2N2CCNCC2)c1 ZINC000071482690 363110294 /nfs/dbraw/zinc/11/02/94/363110294.db2.gz ZZHHGFKIIDZEPW-UHFFFAOYSA-N 0 3 292.180 2.407 10 0 CEAEHN N[C@@H](CO)c1ccc(Cl)cc1Br ZINC000072199133 363121060 /nfs/dbraw/zinc/12/10/60/363121060.db2.gz ZWMGYWXYDLGLCS-QMMMGPOBSA-N 0 3 250.523 2.095 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCCC1)c1cccc(-n2ccnc2)c1 ZINC000237551199 539855898 /nfs/dbraw/zinc/85/58/98/539855898.db2.gz AJGWMZZZGOQRFT-ZDUSSCGKSA-N 0 3 298.390 2.321 10 0 CEAEHN CCC[C@@H](C(=O)N1CCC[C@H](n2cc(C)cn2)C1)N(C)C ZINC000155640251 188218464 /nfs/dbraw/zinc/21/84/64/188218464.db2.gz DIGPHQMBGXTFOC-GJZGRUSLSA-N 0 3 292.427 2.085 10 0 CEAEHN CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000156284345 188253472 /nfs/dbraw/zinc/25/34/72/188253472.db2.gz JVTJJZLFCZASDO-NSHDSACASA-N 0 3 297.374 2.061 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2cc(Cl)ccc2F)CCO1 ZINC000156646931 188274640 /nfs/dbraw/zinc/27/46/40/188274640.db2.gz CWAHIKVCCZEDCA-CYBMUJFWSA-N 0 3 286.778 2.242 10 0 CEAEHN CCNC(=O)CN[C@H]1c2ccccc2CCC1(C)C ZINC000156730715 188278043 /nfs/dbraw/zinc/27/80/43/188278043.db2.gz QHBWFSOAQZFLFR-HNNXBMFYSA-N 0 3 260.381 2.426 10 0 CEAEHN CC[C@H](CCO)N[C@H](C)c1c(C)nn(CC)c1C ZINC000131907146 366098811 /nfs/dbraw/zinc/09/88/11/366098811.db2.gz XKMYLVXVBLOMRG-ZWNOBZJWSA-N 0 3 253.390 2.331 10 0 CEAEHN Fc1ccc2c(c1)[C@H](N1CC[C@@H](N3CCOCC3)C1)CC2 ZINC000248343462 283005068 /nfs/dbraw/zinc/00/50/68/283005068.db2.gz KIMDIGMLMCBZQQ-NVXWUHKLSA-N 0 3 290.382 2.220 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCCOc2cccc(F)c2)C1 ZINC000170864671 188698869 /nfs/dbraw/zinc/69/88/69/188698869.db2.gz DKUZSPWSJVNCSU-AWEZNQCLSA-N 0 3 294.370 2.147 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc3ncsc3c2)C1 ZINC000171076710 188713674 /nfs/dbraw/zinc/71/36/74/188713674.db2.gz BRPWBLLDAROBNS-LLVKDONJSA-N 0 3 290.392 2.464 10 0 CEAEHN C[C@@H](c1cccc(F)c1)N1CCO[C@H](CN(C)C)C1 ZINC000171635945 188749020 /nfs/dbraw/zinc/74/90/20/188749020.db2.gz IRBCCNVQGVMGNS-SWLSCSKDSA-N 0 3 266.360 2.149 10 0 CEAEHN Cc1ccncc1C1=C[C@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675079451 540119525 /nfs/dbraw/zinc/11/95/25/540119525.db2.gz YXMDDVWLSTXCHF-ZDUSSCGKSA-N 0 3 289.379 2.351 10 0 CEAEHN N[C@]1(c2cncs2)CCN(Cc2ccccc2)C1 ZINC000575456993 366290549 /nfs/dbraw/zinc/29/05/49/366290549.db2.gz YNPGYNXDVCXZRB-CQSZACIVSA-N 0 3 259.378 2.203 10 0 CEAEHN C[C@H]1C[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000075979496 363505356 /nfs/dbraw/zinc/50/53/56/363505356.db2.gz JVXFSKCREVWEDM-XJKSGUPXSA-N 0 3 287.407 2.142 10 0 CEAEHN C[C@H]1CN(CCc2ccccc2F)C[C@@H]1N1CCOCC1 ZINC000137617519 366546823 /nfs/dbraw/zinc/54/68/23/366546823.db2.gz NDRYKEWPFLCIAN-YOEHRIQHSA-N 0 3 292.398 2.021 10 0 CEAEHN Cc1nn(C)cc1CN[C@@H](CN(C)C)c1ccccc1 ZINC000148867901 366585488 /nfs/dbraw/zinc/58/54/88/366585488.db2.gz RQONEQGDSSYECU-INIZCTEOSA-N 0 3 272.396 2.121 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCc2cn(C)c3ccccc23)C1 ZINC000151430768 366644355 /nfs/dbraw/zinc/64/43/55/366644355.db2.gz CJQXQBWLCGKHPP-OAHLLOKOSA-N 0 3 299.418 2.273 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(F)cc1 ZINC000177025068 189021679 /nfs/dbraw/zinc/02/16/79/189021679.db2.gz OHHYENADEUKDJI-HNNXBMFYSA-N 0 3 293.386 2.451 10 0 CEAEHN COC[C@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000177313972 189044055 /nfs/dbraw/zinc/04/40/55/189044055.db2.gz MGPQXJPFNNZJIB-LBPRGKRZSA-N 0 3 264.369 2.278 10 0 CEAEHN C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177250039 189039372 /nfs/dbraw/zinc/03/93/72/189039372.db2.gz MIBOMQOAFJIEFF-BBRMVZONSA-N 0 3 294.826 2.493 10 0 CEAEHN CCC[C@H](C(=O)NCCc1ccc(OC)c(F)c1)N(C)C ZINC000179194279 189176179 /nfs/dbraw/zinc/17/61/79/189176179.db2.gz BBBOMDIZJJJBAS-CQSZACIVSA-N 0 3 296.386 2.223 10 0 CEAEHN CCc1cnc(CN[C@H]2CCCCC[C@@H]2O)s1 ZINC000342207848 216260646 /nfs/dbraw/zinc/26/06/46/216260646.db2.gz UBYAOBSAKZMDFL-RYUDHWBXSA-N 0 3 254.399 2.489 10 0 CEAEHN CC[C@H](C)Oc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccn1 ZINC000180253603 189246969 /nfs/dbraw/zinc/24/69/69/189246969.db2.gz XHVUTZXLUFLQMW-JSGCOSHPSA-N 0 3 291.395 2.035 10 0 CEAEHN CCc1nn(C)cc1CN1CCC(c2cc[nH]n2)CC1 ZINC000179982035 542259375 /nfs/dbraw/zinc/25/93/75/542259375.db2.gz BVDISQKXNVQZGL-UHFFFAOYSA-N 0 3 273.384 2.085 10 0 CEAEHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCCc2ccccc21 ZINC000081902011 363746994 /nfs/dbraw/zinc/74/69/94/363746994.db2.gz ZETVJIVSQJCZLD-IUODEOHRSA-N 0 3 281.421 2.477 10 0 CEAEHN COCCN1CCN(CCCc2cccc(F)c2)C[C@H]1C ZINC000182751621 189333875 /nfs/dbraw/zinc/33/38/75/189333875.db2.gz HHRKPMRGNMQEQC-OAHLLOKOSA-N 0 3 294.414 2.411 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000083550371 363779550 /nfs/dbraw/zinc/77/95/50/363779550.db2.gz IHQBWBWKNJYDDI-SWLSCSKDSA-N 0 3 283.375 2.477 10 0 CEAEHN COc1ccc(CCNC(=O)CN2CCC[C@H](C)C2)cc1 ZINC000015256905 361469247 /nfs/dbraw/zinc/46/92/47/361469247.db2.gz SMNXITCBKCCJGW-AWEZNQCLSA-N 0 3 290.407 2.086 10 0 CEAEHN C[C@H]1CN(c2cccc(C(F)(F)F)n2)[C@@H](C)CN1 ZINC000086471543 363837118 /nfs/dbraw/zinc/83/71/18/363837118.db2.gz YNMWHBJYISTWPI-IUCAKERBSA-N 0 3 259.275 2.287 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)OCC(F)(F)F ZINC000092677502 364096280 /nfs/dbraw/zinc/09/62/80/364096280.db2.gz IVKKJZSMHPCCLG-VIFPVBQESA-N 0 3 268.279 2.101 10 0 CEAEHN Cn1cccc1CN1CCC(c2ccnn2C)CC1 ZINC000092810585 364110968 /nfs/dbraw/zinc/11/09/68/364110968.db2.gz SUKXYPRHTDGJCL-UHFFFAOYSA-N 0 3 258.369 2.138 10 0 CEAEHN O=S(=O)(C[C@@H]1CCCCN1)c1nc2ccccc2s1 ZINC000095073157 364333045 /nfs/dbraw/zinc/33/30/45/364333045.db2.gz PPIOGMADCATJEO-JTQLQIEISA-N 0 3 296.417 2.212 10 0 CEAEHN COc1cc(NC2=NCCC2)cc(OC)c1OC ZINC000095082199 364335905 /nfs/dbraw/zinc/33/59/05/364335905.db2.gz PYUCMBJDXDTBQE-UHFFFAOYSA-N 0 3 250.298 2.317 10 0 CEAEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C)COC ZINC000103435145 364653602 /nfs/dbraw/zinc/65/36/02/364653602.db2.gz IDYMTCDSCXVUNT-CQSZACIVSA-N 0 3 292.423 2.379 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@](C)(O)CCC(C)C)N(C)C ZINC000120924867 283786378 /nfs/dbraw/zinc/78/63/78/283786378.db2.gz OIDJVFLPYGOTDF-HIFRSBDPSA-N 0 3 272.433 2.020 10 0 CEAEHN CC[C@H](C)CN(C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000111836879 364764386 /nfs/dbraw/zinc/76/43/86/364764386.db2.gz YVYRILBVVCLCSV-QWHCGFSZSA-N 0 3 255.406 2.158 10 0 CEAEHN C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000112046187 364771193 /nfs/dbraw/zinc/77/11/93/364771193.db2.gz URKMVWUPXADYHW-DZGCQCFKSA-N 0 3 260.381 2.028 10 0 CEAEHN C[C@H](CC1CCCC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000114328163 364936638 /nfs/dbraw/zinc/93/66/38/364936638.db2.gz TWUWPUNLXPLHON-TZMCWYRMSA-N 0 3 252.402 2.365 10 0 CEAEHN Cn1cc([C@@H]2CCN(CCOc3ccc(F)cc3)C2)cn1 ZINC000116316735 365049804 /nfs/dbraw/zinc/04/98/04/365049804.db2.gz QWCJNOLRRYPIKB-CYBMUJFWSA-N 0 3 289.354 2.428 10 0 CEAEHN CN1CCC[C@@H](CNC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000116548675 365061550 /nfs/dbraw/zinc/06/15/50/365061550.db2.gz VHPIBLMGZOUKTB-UONOGXRCSA-N 0 3 291.395 2.468 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc3ccccc3c2)CCO1 ZINC000116792360 365068440 /nfs/dbraw/zinc/06/84/40/365068440.db2.gz MCXMIBJOQYHDFG-QGZVFWFLSA-N 0 3 298.386 2.242 10 0 CEAEHN CC(=O)c1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1C ZINC000119451511 365274918 /nfs/dbraw/zinc/27/49/18/365274918.db2.gz AXGHPZNDLOWGLX-AWEZNQCLSA-N 0 3 289.379 2.365 10 0 CEAEHN CC[C@@](C)(O)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000119492117 365281339 /nfs/dbraw/zinc/28/13/39/365281339.db2.gz JFNGNZNTDNQWNT-IAGOWNOFSA-N 0 3 277.408 2.481 10 0 CEAEHN CCCOc1ncccc1CNC(=O)[C@@H](CCC)N(C)C ZINC000119923011 365346172 /nfs/dbraw/zinc/34/61/72/365346172.db2.gz MIXFHJVVTRTKQZ-CQSZACIVSA-N 0 3 293.411 2.217 10 0 CEAEHN CC[C@H](C)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000120438969 365424172 /nfs/dbraw/zinc/42/41/72/365424172.db2.gz AZPYGNZOUOPRTB-DOTOQJQBSA-N 0 3 276.424 2.384 10 0 CEAEHN CCOc1ccnc(N2CCN(C[C@@H](C)CC)CC2)n1 ZINC000120531684 365438921 /nfs/dbraw/zinc/43/89/21/365438921.db2.gz CVQSLXVBFSIKSG-ZDUSSCGKSA-N 0 3 278.400 2.043 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1coc2ccccc12 ZINC000336173443 365511076 /nfs/dbraw/zinc/51/10/76/365511076.db2.gz LKHGQTBFEVLRQT-GXFFZTMASA-N 0 3 258.321 2.190 10 0 CEAEHN CCC[C@H](C(=O)NCCCCNc1ccccn1)N(C)C ZINC000162019349 367131590 /nfs/dbraw/zinc/13/15/90/367131590.db2.gz ADVXSTGHNGCJOZ-CQSZACIVSA-N 0 3 292.427 2.120 10 0 CEAEHN Cc1cc(Cl)ccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000162596715 367172112 /nfs/dbraw/zinc/17/21/12/367172112.db2.gz ADFALODYMTUDOI-LBPRGKRZSA-N 0 3 266.772 2.425 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)c1cccnc1 ZINC000245429283 370818908 /nfs/dbraw/zinc/81/89/08/370818908.db2.gz KEZBOUPQSIZZMB-HIFRSBDPSA-N 0 3 275.396 2.128 10 0 CEAEHN CCC[C@@H](C(=O)NCC(O)(CCC)CCC)N(C)C ZINC000162230566 367146900 /nfs/dbraw/zinc/14/69/00/367146900.db2.gz LEAKWYONIMGSRZ-ZDUSSCGKSA-N 0 3 272.433 2.164 10 0 CEAEHN CCC[C@H](C(=O)N1CCS[C@@H](C(C)C)C1)N(C)C ZINC000162346849 367153265 /nfs/dbraw/zinc/15/32/65/367153265.db2.gz UHRZCOLCZMRZPF-CHWSQXEVSA-N 0 3 272.458 2.317 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000245459029 370823897 /nfs/dbraw/zinc/82/38/97/370823897.db2.gz DELMPPCBUJBNRK-OAGGEKHMSA-N 0 3 295.471 2.097 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1CC=CCC1 ZINC000245474342 370827077 /nfs/dbraw/zinc/82/70/77/370827077.db2.gz QVRXNZGTXLOZHB-KGLIPLIRSA-N 0 3 265.401 2.221 10 0 CEAEHN Cc1ccccc1C[C@H](C)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170831937 367427425 /nfs/dbraw/zinc/42/74/25/367427425.db2.gz BXOHCNPIORTTLX-HOCLYGCPSA-N 0 3 289.423 2.272 10 0 CEAEHN C/C(=C\C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000170864892 367436676 /nfs/dbraw/zinc/43/66/76/367436676.db2.gz MPMRRTZPIPRMRK-FQNOHDAGSA-N 0 3 258.365 2.252 10 0 CEAEHN c1cnnc(N2CCCN([C@H]3C=CCCC3)CC2)c1 ZINC000171745924 367607201 /nfs/dbraw/zinc/60/72/01/367607201.db2.gz XBHRXDUALFMLGU-AWEZNQCLSA-N 0 3 258.369 2.097 10 0 CEAEHN O=C(c1cc2cc(F)ccc2o1)N1CCN2CCC[C@@H]2C1 ZINC000172120101 367676925 /nfs/dbraw/zinc/67/69/25/367676925.db2.gz YUQKZNRQIGVKOL-CYBMUJFWSA-N 0 3 288.322 2.492 10 0 CEAEHN Cc1cnn(C[C@@H]2CN(C[C@@H]3CC=CCC3)CCO2)c1 ZINC000245812079 370875249 /nfs/dbraw/zinc/87/52/49/370875249.db2.gz ZORPBPIWIGLWOM-CVEARBPZSA-N 0 3 275.396 2.249 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2CN2CCCCC2)O1 ZINC000245960016 370893693 /nfs/dbraw/zinc/89/36/93/370893693.db2.gz COFWFKDNMVTTJY-ILXRZTDVSA-N 0 3 280.412 2.031 10 0 CEAEHN CCc1ccc(CC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000172907445 367840046 /nfs/dbraw/zinc/84/00/46/367840046.db2.gz APSGUKZLQWGKKH-INIZCTEOSA-N 0 3 272.392 2.098 10 0 CEAEHN COC(=O)c1occc1CNCC1C[C@@H](C)O[C@H](C)C1 ZINC000343634838 367930676 /nfs/dbraw/zinc/93/06/76/367930676.db2.gz FOAJFSVNHXTOQQ-GHMZBOCLSA-N 0 3 281.352 2.359 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2cc(C)sc2C)CC1 ZINC000174078757 367980153 /nfs/dbraw/zinc/98/01/53/367980153.db2.gz CNPLMBLYBPDZKU-OAHLLOKOSA-N 0 3 282.453 2.253 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ncccc1C ZINC000176333895 368226007 /nfs/dbraw/zinc/22/60/07/368226007.db2.gz YDZQDLJLVDMEEA-CQSZACIVSA-N 0 3 290.411 2.016 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)COC3)C1 ZINC000179406735 368337145 /nfs/dbraw/zinc/33/71/45/368337145.db2.gz ZXKXJHMKDQPSMW-OAHLLOKOSA-N 0 3 289.379 2.323 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1cccs1)CS(C)(=O)=O ZINC000182546741 368566704 /nfs/dbraw/zinc/56/67/04/368566704.db2.gz OXNREWWAFPPOOR-UWVGGRQHSA-N 0 3 261.412 2.079 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CN1CCO[C@H](Cn2cccn2)C1 ZINC000183059896 368607932 /nfs/dbraw/zinc/60/79/32/368607932.db2.gz NMYAIGAGYFLZRI-PMPSAXMXSA-N 0 3 277.412 2.410 10 0 CEAEHN Cc1ccc(F)cc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246030476 370901169 /nfs/dbraw/zinc/90/11/69/370901169.db2.gz WALBEADZHUGNLF-KBPBESRZSA-N 0 3 280.387 2.021 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccncc2F)C1 ZINC000184179992 368677301 /nfs/dbraw/zinc/67/73/01/368677301.db2.gz FYQNGAGCIAKRPV-MFKMUULPSA-N 0 3 280.347 2.071 10 0 CEAEHN COC(=O)c1oc([C@@H](C)N2CCN3CCC[C@H]3C2)cc1C ZINC000246204969 370928179 /nfs/dbraw/zinc/92/81/79/370928179.db2.gz YDTUNSVURZZAGC-OLZOCXBDSA-N 0 3 292.379 2.216 10 0 CEAEHN Cc1ccc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246175903 370921666 /nfs/dbraw/zinc/92/16/66/370921666.db2.gz MWPDSJPMODPBCX-HIFRSBDPSA-N 0 3 296.436 2.002 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C1(OC)CCCCC1 ZINC000185605786 368829612 /nfs/dbraw/zinc/82/96/12/368829612.db2.gz JJVCHZZPZUJLHT-CQSZACIVSA-N 0 3 282.428 2.278 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@H](CO)C(C)C)c1C ZINC000348297567 368990745 /nfs/dbraw/zinc/99/07/45/368990745.db2.gz ZQYULPRIXHCFRE-SMDDNHRTSA-N 0 3 267.417 2.435 10 0 CEAEHN CCc1nnc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)n1C ZINC000187609234 369187876 /nfs/dbraw/zinc/18/78/76/369187876.db2.gz SWZUFOQACXRHFR-SDDRHHMPSA-N 0 3 250.390 2.292 10 0 CEAEHN CCC[C@@H](C(=O)NCC[C@](C)(O)c1ccccc1)N(C)C ZINC000188944086 369432658 /nfs/dbraw/zinc/43/26/58/369432658.db2.gz XQVRRLVBHURYFA-RDJZCZTQSA-N 0 3 292.423 2.131 10 0 CEAEHN O=S1(=O)CC(CCN2CCC[C@H]3CCCC[C@H]32)C1 ZINC000336427312 213287708 /nfs/dbraw/zinc/28/77/08/213287708.db2.gz NICCKRNERAYEEO-ZIAGYGMSSA-N 0 3 271.426 2.076 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000189858111 369572079 /nfs/dbraw/zinc/57/20/79/369572079.db2.gz FPZKCXQZWKALGY-GJZGRUSLSA-N 0 3 296.455 2.382 10 0 CEAEHN C[C@H]1OCCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000189966283 369583567 /nfs/dbraw/zinc/58/35/67/369583567.db2.gz GVEOMLYXROEUSH-ZBFHGGJFSA-N 0 3 290.407 2.050 10 0 CEAEHN Cc1ccc(CN2C[C@H]3CCCCN3C[C@H]2C)cn1 ZINC000227361000 370369390 /nfs/dbraw/zinc/36/93/90/370369390.db2.gz NHAZDPVBZUDWAT-GDBMZVCRSA-N 0 3 259.397 2.449 10 0 CEAEHN Cc1nn(C)cc1CNCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000229809016 370431149 /nfs/dbraw/zinc/43/11/49/370431149.db2.gz SPVJOEYBTLHERW-LLVKDONJSA-N 0 3 296.415 2.121 10 0 CEAEHN CN(C(=O)C1CCC=CCC1)[C@@H](CN)C(F)(F)F ZINC000638435694 370528120 /nfs/dbraw/zinc/52/81/20/370528120.db2.gz WGJUCQLRXKWGRV-JTQLQIEISA-N 0 3 264.291 2.081 10 0 CEAEHN C[C@@]1(C(=O)NCC[C@H]2CC=CCC2)CCCCN1 ZINC000638600933 370630561 /nfs/dbraw/zinc/63/05/61/370630561.db2.gz LMJZBZBPMRKBFL-ZFWWWQNUSA-N 0 3 250.386 2.381 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000236817615 370634615 /nfs/dbraw/zinc/63/46/15/370634615.db2.gz QWRVZKHCSCGYKA-MRVPVSSYSA-N 0 3 265.338 2.469 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@H](C)Oc1ccccc1C ZINC000236873496 370644357 /nfs/dbraw/zinc/64/43/57/370644357.db2.gz WSSZQSKDINFZAI-STQMWFEESA-N 0 3 264.369 2.006 10 0 CEAEHN COc1cc(CNCC2C[C@H](C)O[C@@H](C)C2)sn1 ZINC000639134471 371012283 /nfs/dbraw/zinc/01/22/83/371012283.db2.gz CINVTZZPOMTXIA-UWVGGRQHSA-N 0 3 270.398 2.445 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)CCSC)C1 ZINC000246806981 371014025 /nfs/dbraw/zinc/01/40/25/371014025.db2.gz RHVRDNZCSHHQFJ-OLZOCXBDSA-N 0 3 287.473 2.254 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1scnc1C ZINC000246910249 371029963 /nfs/dbraw/zinc/02/99/63/371029963.db2.gz IFTUPMZZJHMZJJ-RYUDHWBXSA-N 0 3 279.409 2.150 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(C[C@H]2CCCO2)C1 ZINC000247010800 371044742 /nfs/dbraw/zinc/04/47/42/371044742.db2.gz CDVKOHLHYKTFPZ-ZIAGYGMSSA-N 0 3 263.385 2.261 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc2c1CCC2 ZINC000247460164 371110037 /nfs/dbraw/zinc/11/00/37/371110037.db2.gz QTAIQYXSEFZTBM-HIFRSBDPSA-N 0 3 284.403 2.484 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)cc2)CCN1C[C@H](C)O ZINC000247593943 371128467 /nfs/dbraw/zinc/12/84/67/371128467.db2.gz JZVFCYNWBUCZGI-BBRMVZONSA-N 0 3 280.387 2.103 10 0 CEAEHN Cc1ccccc1[C@@H](C)N1CCO[C@@H](CN(C)C)C1 ZINC000248135909 371163141 /nfs/dbraw/zinc/16/31/41/371163141.db2.gz PBKYSHFWENECLL-CABCVRRESA-N 0 3 262.397 2.318 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N2C[C@H]3CCCN3C[C@H]2C)CCO1 ZINC000248627364 371226145 /nfs/dbraw/zinc/22/61/45/371226145.db2.gz ZDYTWXXAVWBSPV-KLHDSHLOSA-N 0 3 294.439 2.277 10 0 CEAEHN Cc1ccc2nccc(N3CCN(C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000248730167 371239626 /nfs/dbraw/zinc/23/96/26/371239626.db2.gz MLMVWFSMCTVGJE-CABCVRRESA-N 0 3 299.418 2.435 10 0 CEAEHN COC1(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCCCC1 ZINC000249290196 371311167 /nfs/dbraw/zinc/31/11/67/371311167.db2.gz KGOBHHYGSTXTNF-UONOGXRCSA-N 0 3 282.428 2.181 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC000249692796 371354065 /nfs/dbraw/zinc/35/40/65/371354065.db2.gz NCJCGEQUJIAMHU-UONOGXRCSA-N 0 3 270.417 2.038 10 0 CEAEHN Cc1cccc(O[C@H](C)C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000249833717 371365958 /nfs/dbraw/zinc/36/59/58/371365958.db2.gz QCCAEBZXTPEJJF-CABCVRRESA-N 0 3 288.391 2.069 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC000249612859 371347137 /nfs/dbraw/zinc/34/71/37/371347137.db2.gz RONRWJLFGOFHDV-GJZGRUSLSA-N 0 3 290.407 2.363 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCc1ccccn1 ZINC000252662441 371463277 /nfs/dbraw/zinc/46/32/77/371463277.db2.gz ZDWLBADWTGBTMP-ZBFHGGJFSA-N 0 3 259.397 2.183 10 0 CEAEHN CC(C)OCc1cccc(NC(=O)C2(N)CCOCC2)c1 ZINC000261838364 371747929 /nfs/dbraw/zinc/74/79/29/371747929.db2.gz LNNLGSGHKMLNGT-UHFFFAOYSA-N 0 3 292.379 2.058 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000263453176 371938343 /nfs/dbraw/zinc/93/83/43/371938343.db2.gz AGPRZSMMURCZFW-GFJIZPEISA-N 0 3 282.428 2.338 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000263524101 371940287 /nfs/dbraw/zinc/94/02/87/371940287.db2.gz SMDSJUHKIRHQJK-HGWMRPEMSA-N 0 3 282.428 2.338 10 0 CEAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1cncc(F)c1 ZINC000269026057 372316708 /nfs/dbraw/zinc/31/67/08/372316708.db2.gz QWJPZJNYMYIZFR-COPLHBTASA-N 0 3 252.333 2.422 10 0 CEAEHN CC(C)(O)CN1CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000394540679 375328836 /nfs/dbraw/zinc/32/88/36/375328836.db2.gz XZPPDGFRDFTUIB-CYBMUJFWSA-N 0 3 290.398 2.200 10 0 CEAEHN Cc1cc(CN[C@@H]2CCC(=O)N[C@@H]2C)c(C)s1 ZINC000282301664 375453071 /nfs/dbraw/zinc/45/30/71/375453071.db2.gz JULNMGPMHWRWHT-BXKDBHETSA-N 0 3 252.383 2.122 10 0 CEAEHN COc1ccc(Cl)cc1CN[C@H]1CCC(=O)N[C@H]1C ZINC000282524222 375507192 /nfs/dbraw/zinc/50/71/92/375507192.db2.gz YMFBWTVSYNFLME-CABZTGNLSA-N 0 3 282.771 2.105 10 0 CEAEHN C[C@H](CNCc1ccccn1)N(C)C(=O)OC(C)(C)C ZINC000282816656 375582729 /nfs/dbraw/zinc/58/27/29/375582729.db2.gz MZHZEABYTNDZAY-GFCCVEGCSA-N 0 3 279.384 2.427 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](F)[C@@H](N)C2)C1 ZINC000261508342 190040167 /nfs/dbraw/zinc/04/01/67/190040167.db2.gz RMLUGCZJYTXPOU-NRUUGDAUSA-N 0 3 258.337 2.073 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccn1)[C@@H](N)c1ccccc1 ZINC000131611664 249316030 /nfs/dbraw/zinc/31/60/30/249316030.db2.gz HMBRYFWVNJHYJM-BXUZGUMPSA-N 0 3 255.321 2.356 10 0 CEAEHN CC(C)c1nn2c(nccc2CN)c1Br ZINC000232770897 542261866 /nfs/dbraw/zinc/26/18/66/542261866.db2.gz FLTFYCFNCMFIQG-UHFFFAOYSA-N 0 3 269.146 2.074 10 0 CEAEHN CCCCc1nn2c(nccc2CN)c1Br ZINC000233027802 542267448 /nfs/dbraw/zinc/26/74/48/542267448.db2.gz ZJUSAZTZMAHKHO-UHFFFAOYSA-N 0 3 283.173 2.293 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCCF ZINC000181313474 542272559 /nfs/dbraw/zinc/27/25/59/542272559.db2.gz LAWVIQSWGWSPCK-ZDUSSCGKSA-N 0 3 281.375 2.166 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2cccc3cnccc32)C[C@H]1C ZINC000183276906 542290444 /nfs/dbraw/zinc/29/04/44/542290444.db2.gz XJRSRLRMYPRMJR-HUUCEWRRSA-N 0 3 299.418 2.122 10 0 CEAEHN CCN[C@H](C)c1cc(F)ccc1N(CCO)C1CC1 ZINC000042479866 184553477 /nfs/dbraw/zinc/55/34/77/184553477.db2.gz MSZQPVIDEAFPQK-LLVKDONJSA-N 0 3 266.360 2.457 10 0 CEAEHN CN[C@H](C)c1cc(F)ccc1N(CCO)C1CC1 ZINC000042479862 184553932 /nfs/dbraw/zinc/55/39/32/184553932.db2.gz HKMNURDNFLMHLB-SNVBAGLBSA-N 0 3 252.333 2.067 10 0 CEAEHN CC(C)n1cc(S(=O)(=O)N2CCCC[C@@H]2C)cc1CN ZINC000088907126 184613751 /nfs/dbraw/zinc/61/37/51/184613751.db2.gz DFMUKTVCHJUIGE-LBPRGKRZSA-N 0 3 299.440 2.091 10 0 CEAEHN CCCN(C(C)C)S(=O)(=O)c1ccc(C)c(CN)c1 ZINC000088945583 184614943 /nfs/dbraw/zinc/61/49/43/184614943.db2.gz MEOADQWCYQWBNG-UHFFFAOYSA-N 0 3 284.425 2.263 10 0 CEAEHN CCOc1ccccc1[C@@H](CSC1COC1)NC ZINC000092712916 184622464 /nfs/dbraw/zinc/62/24/64/184622464.db2.gz MCTNBJPJADIDMD-CYBMUJFWSA-N 0 3 267.394 2.478 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)S(=O)(=O)CCC(C)(C)C ZINC000175392769 285240615 /nfs/dbraw/zinc/24/06/15/285240615.db2.gz IUBSHGCLNNUPBC-CYBMUJFWSA-N 0 3 290.473 2.169 10 0 CEAEHN CC[C@@H](CS(=O)(=O)c1cc(C)ccc1C)NC ZINC000081922293 177896210 /nfs/dbraw/zinc/89/62/10/177896210.db2.gz RIHPMNJYVAAABW-LBPRGKRZSA-N 0 3 255.383 2.075 10 0 CEAEHN CCCN1C(=O)C[C@H](N)[C@H]1c1cccc2c1OC(C)(C)C2 ZINC000080508471 177660665 /nfs/dbraw/zinc/66/06/65/177660665.db2.gz XEHUSSWTXWHMFB-DZGCQCFKSA-N 0 3 288.391 2.411 10 0 CEAEHN CCN1C(=O)C[C@H](N)[C@@H]1c1cccc2c1OC(C)(C)C2 ZINC000080508462 177660570 /nfs/dbraw/zinc/66/05/70/177660570.db2.gz HFWJSLAQXLYKHO-JSGCOSHPSA-N 0 3 274.364 2.021 10 0 CEAEHN CCCN[C@H](c1ccccc1)[C@@H]1CN(CC)CCO1 ZINC000093915158 184742099 /nfs/dbraw/zinc/74/20/99/184742099.db2.gz VEAQFMBQZHBVNB-JKSUJKDBSA-N 0 3 262.397 2.448 10 0 CEAEHN CCCC[C@H](CC)CN1CCO[C@H](C(N)=S)C1 ZINC000093934541 184745265 /nfs/dbraw/zinc/74/52/65/184745265.db2.gz MRVCIVRBQVTEFI-RYUDHWBXSA-N 0 3 258.431 2.190 10 0 CEAEHN CCn1c2ccccc2nc1C[C@@H](N)c1ccn(C)n1 ZINC000094171526 184759402 /nfs/dbraw/zinc/75/94/02/184759402.db2.gz NFBHZKDMNRVEPP-LLVKDONJSA-N 0 3 269.352 2.032 10 0 CEAEHN CNCc1ccc(OCc2cncn2C(C)C)cn1 ZINC000094209139 184763081 /nfs/dbraw/zinc/76/30/81/184763081.db2.gz UMBMKDPQHWSURL-UHFFFAOYSA-N 0 3 260.341 2.157 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1cccc(OC(F)F)c1 ZINC000094232995 184766803 /nfs/dbraw/zinc/76/68/03/184766803.db2.gz XNXNPVIGFNTOKK-GFCCVEGCSA-N 0 3 258.268 2.354 10 0 CEAEHN CN[C@H](c1ccncn1)[C@@H]1CCOC2(CCCC2)C1 ZINC000094403220 184793365 /nfs/dbraw/zinc/79/33/65/184793365.db2.gz KSKSXVRLOORKTI-OCCSQVGLSA-N 0 3 261.369 2.477 10 0 CEAEHN CCN[C@H](c1ccnn1CC)[C@H]1CSCCS1 ZINC000094497646 184810378 /nfs/dbraw/zinc/81/03/78/184810378.db2.gz QCMUYYFRIZGNEP-VXGBXAGGSA-N 0 3 271.455 2.402 10 0 CEAEHN N[C@H](c1cnc2ccccc2c1)[C@H]1CSCCO1 ZINC000094502269 184810849 /nfs/dbraw/zinc/81/08/49/184810849.db2.gz DTZVTZDPOWJXLK-ZIAGYGMSSA-N 0 3 260.362 2.367 10 0 CEAEHN C[C@H]1OCCC[C@H]1C(=O)N(CCN(C)C)c1ccccc1 ZINC000190687870 130134029 /nfs/dbraw/zinc/13/40/29/130134029.db2.gz QUXIHNOGEYMKRE-GDBMZVCRSA-N 0 3 290.407 2.396 10 0 CEAEHN C[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000262098443 131191102 /nfs/dbraw/zinc/19/11/02/131191102.db2.gz CILQTNHEJNKYDM-GXSJLCMTSA-N 0 3 274.286 2.014 10 0 CEAEHN C[C@@H]1CNCCN1c1ccc(Br)cc1F ZINC000083086663 135014085 /nfs/dbraw/zinc/01/40/85/135014085.db2.gz XDHFPYZULZXDQG-MRVPVSSYSA-N 0 3 273.149 2.386 10 0 CEAEHN CC[C@H]1CNCCN1c1ccc(C(F)(F)F)nc1 ZINC000083431696 135021042 /nfs/dbraw/zinc/02/10/42/135021042.db2.gz OSCWWSWKAAFTNT-VIFPVBQESA-N 0 3 259.275 2.289 10 0 CEAEHN Fc1cc(Br)cc(F)c1N1CCNCC1 ZINC000083550488 135029556 /nfs/dbraw/zinc/02/95/56/135029556.db2.gz OIWZLWZDYUKFPF-UHFFFAOYSA-N 0 3 277.112 2.137 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(c2cccnc2)CCN1 ZINC000086122157 135038722 /nfs/dbraw/zinc/03/87/22/135038722.db2.gz NMKKPDICFFLKFE-INIZCTEOSA-N 0 3 253.349 2.407 10 0 CEAEHN CC(C)(C)N1CCN(c2ncnc3cc(N)ccc32)CC1 ZINC000087820344 135051296 /nfs/dbraw/zinc/05/12/96/135051296.db2.gz PICGCPYVXNWLOP-UHFFFAOYSA-N 0 3 285.395 2.133 10 0 CEAEHN CC(C)(C)N1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407232 135080767 /nfs/dbraw/zinc/08/07/67/135080767.db2.gz QWPOKOIEJDYCNJ-UHFFFAOYSA-N 0 3 295.427 2.380 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(Cl)c(CO)n1 ZINC000094440238 135087919 /nfs/dbraw/zinc/08/79/19/135087919.db2.gz XUYYTABMAXJQEV-NWDGAFQWSA-N 0 3 295.814 2.290 10 0 CEAEHN COCCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000247818393 394535783 /nfs/dbraw/zinc/53/57/83/394535783.db2.gz CEAVRWRNKBGHHJ-UONOGXRCSA-N 0 3 278.396 2.221 10 0 CEAEHN CN(C)C[C@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000248341067 394538537 /nfs/dbraw/zinc/53/85/37/394538537.db2.gz IUTUQVPCFWNIOK-HOCLYGCPSA-N 0 3 278.371 2.075 10 0 CEAEHN CCN1CCC[C@H](NCc2cc(F)cc(OC)c2)C1 ZINC000312287515 394541461 /nfs/dbraw/zinc/54/14/61/394541461.db2.gz SHQSXIJHMNXQIU-AWEZNQCLSA-N 0 3 266.360 2.408 10 0 CEAEHN CC[N@@H+]1CC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000315635824 394545251 /nfs/dbraw/zinc/54/52/51/394545251.db2.gz VNZOXCGFPSWPIR-LLVKDONJSA-N 0 3 299.212 2.339 10 0 CEAEHN CC[N@H+]1CC[C@@H](NCc2cccc([O-])c2Br)C1 ZINC000315635824 394545254 /nfs/dbraw/zinc/54/52/54/394545254.db2.gz VNZOXCGFPSWPIR-LLVKDONJSA-N 0 3 299.212 2.339 10 0 CEAEHN COc1ccc(OC)c([C@@H](C)NCC2CC(O)C2)c1 ZINC000091524156 394658151 /nfs/dbraw/zinc/65/81/51/394658151.db2.gz LQVYZHLKNJLZIU-VOMCLLRMSA-N 0 3 265.353 2.125 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000262592806 394620648 /nfs/dbraw/zinc/62/06/48/394620648.db2.gz VIDDWDBGAXYQDW-XUJVJEKNSA-N 0 3 270.417 2.214 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000105871166 394722637 /nfs/dbraw/zinc/72/26/37/394722637.db2.gz VELJRYFZBKWPIZ-GXFFZTMASA-N 0 3 260.316 2.083 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C/c2ccc(Cl)nc2)C1 ZINC000130610706 394892311 /nfs/dbraw/zinc/89/23/11/394892311.db2.gz TZXOGJFYFQWURH-CFNZNRNTSA-N 0 3 293.798 2.349 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)o1 ZINC000282061932 394904898 /nfs/dbraw/zinc/90/48/98/394904898.db2.gz BMUHNMDEFCNIMZ-VCDKRKBESA-N 0 3 262.353 2.160 10 0 CEAEHN CC(C)c1nc2c(n1C)CCN(CCN1CCCCC1)C2 ZINC000132298458 394927942 /nfs/dbraw/zinc/92/79/42/394927942.db2.gz DTDYLIQOMIEKMD-UHFFFAOYSA-N 0 3 290.455 2.388 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2nc3ccccc3s2)C1 ZINC000170874643 395093061 /nfs/dbraw/zinc/09/30/61/395093061.db2.gz GPIZWHWPJXRTFZ-SNVBAGLBSA-N 0 3 290.392 2.464 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)N1CCc2ccccc21 ZINC000176680063 395142583 /nfs/dbraw/zinc/14/25/83/395142583.db2.gz MRXORTGUCWRAIY-DZGCQCFKSA-N 0 3 285.391 2.338 10 0 CEAEHN CCOC(=O)CN(CC)CCN(C)Cc1ccc(F)cc1 ZINC000186776252 395294601 /nfs/dbraw/zinc/29/46/01/395294601.db2.gz QTJYBCOTBNOOGC-UHFFFAOYSA-N 0 3 296.386 2.143 10 0 CEAEHN COc1c(C)cnc(CN2CCC[C@H](O)[C@H]2C)c1C ZINC000295822986 395302695 /nfs/dbraw/zinc/30/26/95/395302695.db2.gz CAKAYZVVKDHGLZ-OCCSQVGLSA-N 0 3 264.369 2.052 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCS[C@H](C(C)C)C1 ZINC000195180152 395461391 /nfs/dbraw/zinc/46/13/91/395461391.db2.gz HYGWHVMLUOUMSP-KBPBESRZSA-N 0 3 275.458 2.237 10 0 CEAEHN O=C(Cc1ccc2c(c1)CCCC2)N1CCN2CCC[C@@H]2C1 ZINC000195317409 395464250 /nfs/dbraw/zinc/46/42/50/395464250.db2.gz NAXDYLKRHMAUOH-GOSISDBHSA-N 0 3 298.430 2.415 10 0 CEAEHN CC(C)(CN1CC[C@H]2OCCN[C@H]2C1)c1ccccc1 ZINC000647541089 395730408 /nfs/dbraw/zinc/73/04/08/395730408.db2.gz ZUEYKVPEELSRCZ-JKSUJKDBSA-N 0 3 274.408 2.027 10 0 CEAEHN O=C([C@H]1C[C@H](F)CN1)N1CCC(C2CCCC2)CC1 ZINC000648095376 395835739 /nfs/dbraw/zinc/83/57/39/395835739.db2.gz GENMXEOSGZYTCJ-UONOGXRCSA-N 0 3 268.376 2.115 10 0 CEAEHN CN(C)C[C@@H](NC(=O)NCc1ccncc1)c1ccccc1 ZINC000047596712 400179865 /nfs/dbraw/zinc/17/98/65/400179865.db2.gz NNNXWLSLFKIYRD-MRXNPFEDSA-N 0 3 298.390 2.184 10 0 CEAEHN Cc1sc([C@@H](N)CCO)cc1Br ZINC000217656820 400307846 /nfs/dbraw/zinc/30/78/46/400307846.db2.gz FVZUCCREOXZTGJ-ZETCQYMHSA-N 0 3 250.161 2.201 10 0 CEAEHN O[C@@H]1CCC[C@H](CN2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000385294390 400521997 /nfs/dbraw/zinc/52/19/97/400521997.db2.gz QFMLICMZYWCZHM-GBJTYRQASA-N 0 3 253.386 2.181 10 0 CEAEHN COC(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000498051137 400600856 /nfs/dbraw/zinc/60/08/56/400600856.db2.gz WAYVGJGLPDTNGF-QDMKHBRRSA-N 0 3 259.349 2.318 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCCCC2(C)C)C1 ZINC000157177318 289209144 /nfs/dbraw/zinc/20/91/44/289209144.db2.gz GJJBZBNEKWDIJG-QWHCGFSZSA-N 0 3 267.417 2.301 10 0 CEAEHN CC(C)c1nnc2n1C[C@@H](NCc1ccc(F)nc1)CC2 ZINC000189019875 153079496 /nfs/dbraw/zinc/07/94/96/153079496.db2.gz JFGIPZDZAGOZIP-LBPRGKRZSA-N 0 3 289.358 2.040 10 0 CEAEHN COc1ccccc1CCN(C)Cc1ccnc(N)c1 ZINC000191481572 153177002 /nfs/dbraw/zinc/17/70/02/153177002.db2.gz YTGWPMWCYKOWMI-UHFFFAOYSA-N 0 3 271.364 2.347 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194432608 153257573 /nfs/dbraw/zinc/25/75/73/153257573.db2.gz KPGRUFWZZMDSHI-KBMXLJTQSA-N 0 3 287.407 2.216 10 0 CEAEHN OCC[C@@H]1CCN(CCOc2ccc(Cl)cc2)C1 ZINC000227569012 153348082 /nfs/dbraw/zinc/34/80/82/153348082.db2.gz CDKJVHZZFROEDU-LBPRGKRZSA-N 0 3 269.772 2.423 10 0 CEAEHN COc1c(CNC[C@@H]2CC[C@@H](C)C2)c(C)nn1C ZINC000230410257 153392416 /nfs/dbraw/zinc/39/24/16/153392416.db2.gz CVXIPPOJBOSOLU-ZYHUDNBSSA-N 0 3 251.374 2.263 10 0 CEAEHN C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)N1CCC(C)CC1 ZINC000251257726 153725025 /nfs/dbraw/zinc/72/50/25/153725025.db2.gz YKDSZKQTUYGWLW-QLFBSQMISA-N 0 3 282.428 2.038 10 0 CEAEHN CC(C)(CNC(=O)c1ccc(N)cc1)N1CCCCC1 ZINC000262270622 153935903 /nfs/dbraw/zinc/93/59/03/153935903.db2.gz WJEKCSCXQUMUNM-UHFFFAOYSA-N 0 3 275.396 2.263 10 0 CEAEHN Cc1ccc(/C=C/c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263149365 154023554 /nfs/dbraw/zinc/02/35/54/154023554.db2.gz CYXFZLNGERPPBC-NPQIQWPPSA-N 0 3 284.363 2.125 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(C2(c3ccccc3)CCC2)n1 ZINC000263182025 154032607 /nfs/dbraw/zinc/03/26/07/154032607.db2.gz GUXZCUYLQLMNPU-CQSZACIVSA-N 0 3 298.390 2.116 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2cccc(F)c2Cl)n1 ZINC000263250140 154042404 /nfs/dbraw/zinc/04/24/04/154042404.db2.gz PTDSGLWNXJHENN-SNVBAGLBSA-N 0 3 296.733 2.105 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@H](C)c2ccccc2)C1 ZINC000263484784 154099500 /nfs/dbraw/zinc/09/95/00/154099500.db2.gz HBEALFUVYSLZMF-JEYLPNPQSA-N 0 3 290.407 2.317 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@H](C)c2ccccc2)C1 ZINC000263484784 154099506 /nfs/dbraw/zinc/09/95/06/154099506.db2.gz HBEALFUVYSLZMF-JEYLPNPQSA-N 0 3 290.407 2.317 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000263484784 154099520 /nfs/dbraw/zinc/09/95/20/154099520.db2.gz HBEALFUVYSLZMF-JEYLPNPQSA-N 0 3 290.407 2.317 10 0 CEAEHN CC(C)[C@@H]1CC[C@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514941 154113040 /nfs/dbraw/zinc/11/30/40/154113040.db2.gz OJWQZTWLDDLZQH-SSHXOBKSSA-N 0 3 294.439 2.338 10 0 CEAEHN CC(C)[C@@H]1CC[C@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514941 154113045 /nfs/dbraw/zinc/11/30/45/154113045.db2.gz OJWQZTWLDDLZQH-SSHXOBKSSA-N 0 3 294.439 2.338 10 0 CEAEHN NCC1(c2nc(-c3cccc(Cl)c3)no2)CCOCC1 ZINC000166100392 162348372 /nfs/dbraw/zinc/34/83/72/162348372.db2.gz KXTWWZHDTFDHOM-UHFFFAOYSA-N 0 3 293.754 2.397 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccc(CO)cc1 ZINC000168739383 162370524 /nfs/dbraw/zinc/37/05/24/162370524.db2.gz HZOAKYXXHFXCCS-RHSMWYFYSA-N 0 3 274.408 2.238 10 0 CEAEHN C[C@@H](C(=O)N1CCS[C@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000170901291 162373584 /nfs/dbraw/zinc/37/35/84/162373584.db2.gz TUJOTIZATCPIDB-RVMXOQNASA-N 0 3 270.442 2.212 10 0 CEAEHN Fc1cccc(OCCN2CCC[C@H](n3cncn3)C2)c1 ZINC000171705742 162387966 /nfs/dbraw/zinc/38/79/66/162387966.db2.gz FNPVTOZAJFBZRW-AWEZNQCLSA-N 0 3 290.342 2.133 10 0 CEAEHN C[C@@H](Cc1ccccc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171822392 162390510 /nfs/dbraw/zinc/39/05/10/162390510.db2.gz CQPHDNGKQHPXDH-GOEBONIOSA-N 0 3 272.392 2.172 10 0 CEAEHN CC(C)NC(=O)CCN1CCC[C@@H]1c1ccco1 ZINC000172024197 162397147 /nfs/dbraw/zinc/39/71/47/162397147.db2.gz CAHXGSKEGMSCNT-GFCCVEGCSA-N 0 3 250.342 2.331 10 0 CEAEHN O=C(NCCCC1CCCC1)N1CCN2CCC[C@H]2C1 ZINC000171901296 165053164 /nfs/dbraw/zinc/05/31/64/165053164.db2.gz YTHNZEFJHPSQBD-HNNXBMFYSA-N 0 3 279.428 2.446 10 0 CEAEHN CCN(CC)CC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173753735 165083276 /nfs/dbraw/zinc/08/32/76/165083276.db2.gz MZHGLPJWPIDEIV-GFCCVEGCSA-N 0 3 294.399 2.198 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)COCc1ccccc1 ZINC000176997733 165179832 /nfs/dbraw/zinc/17/98/32/165179832.db2.gz NYCAPCOBAZHUQX-INIZCTEOSA-N 0 3 290.407 2.146 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC000176975694 165180012 /nfs/dbraw/zinc/18/00/12/165180012.db2.gz PWUHBZVNGWOOLC-CYBMUJFWSA-N 0 3 264.369 2.453 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC000176977523 165180203 /nfs/dbraw/zinc/18/02/03/165180203.db2.gz OPEMHARFGWJWMV-GFCCVEGCSA-N 0 3 250.342 2.144 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000177696031 165207183 /nfs/dbraw/zinc/20/71/83/165207183.db2.gz QAJNZTNPNIFCET-HOTGVXAUSA-N 0 3 297.487 2.436 10 0 CEAEHN CC[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CCCN2CC)CCO1 ZINC000180346792 165304947 /nfs/dbraw/zinc/30/49/47/165304947.db2.gz RKGSRNGIZNFULK-QLFBSQMISA-N 0 3 282.428 2.134 10 0 CEAEHN CC(=O)c1ccc(N[C@H]2CN(C(C)C)C[C@@H]2C)nc1 ZINC000181212821 165337536 /nfs/dbraw/zinc/33/75/36/165337536.db2.gz IGTJRBJVFOZURB-FZMZJTMJSA-N 0 3 261.369 2.425 10 0 CEAEHN CCCCCOc1ccc(CNCCNC(C)=O)cc1 ZINC000020185058 171048010 /nfs/dbraw/zinc/04/80/10/171048010.db2.gz POQKDIQRZMPUAR-UHFFFAOYSA-N 0 3 278.396 2.481 10 0 CEAEHN CN1CCNC[C@@H]1c1cccc(Br)c1 ZINC000020268358 171124328 /nfs/dbraw/zinc/12/43/28/171124328.db2.gz NGUGKBBVKCAPOC-LLVKDONJSA-N 0 3 255.159 2.025 10 0 CEAEHN [NH3+]CCCc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020269719 171125533 /nfs/dbraw/zinc/12/55/33/171125533.db2.gz IXUDXYWIWYBEHC-UHFFFAOYSA-N 0 3 290.388 2.379 10 0 CEAEHN Cn1cc([C@H](N)c2cccc(C(F)(F)F)c2)cn1 ZINC000020476892 171220813 /nfs/dbraw/zinc/22/08/13/171220813.db2.gz UGKZCHOSBZBWGM-LLVKDONJSA-N 0 3 255.243 2.487 10 0 CEAEHN CNCc1cc(Cl)ccc1OCC(=O)NC(C)(C)C ZINC000020873473 171277257 /nfs/dbraw/zinc/27/72/57/171277257.db2.gz BJSXMTQDLYIHEM-UHFFFAOYSA-N 0 3 284.787 2.353 10 0 CEAEHN Brc1cccc2c(N3CCNCC3)nsc21 ZINC000022008808 171348578 /nfs/dbraw/zinc/34/85/78/171348578.db2.gz ZOKJSGJCXAKLBG-UHFFFAOYSA-N 0 3 298.209 2.468 10 0 CEAEHN CCc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022161522 171364311 /nfs/dbraw/zinc/36/43/11/171364311.db2.gz LUMMBBHADOSUPE-ZENOOKHLSA-N 0 3 262.397 2.358 10 0 CEAEHN Cc1ccccc1OCC(=O)Nc1cccc(CN)c1 ZINC000022164289 171365374 /nfs/dbraw/zinc/36/53/74/171365374.db2.gz NTRJZXGNIUHDAY-UHFFFAOYSA-N 0 3 270.332 2.471 10 0 CEAEHN CCN1CCN([C@H](CN)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000022171358 171368228 /nfs/dbraw/zinc/36/82/28/171368228.db2.gz QQVSWBGWKATTBR-BFHYXJOUSA-N 0 3 277.412 2.040 10 0 CEAEHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(N)c1 ZINC000022211047 171373440 /nfs/dbraw/zinc/37/34/40/171373440.db2.gz MZZTZGBKRIZPPN-LLVKDONJSA-N 0 3 281.787 2.136 10 0 CEAEHN COc1ccc([C@H](N)[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022564521 171391779 /nfs/dbraw/zinc/39/17/79/171391779.db2.gz HWILGWVBEFOAFD-RSUWNVLCSA-N 0 3 278.396 2.193 10 0 CEAEHN CCCOc1ccc(CN)c(OCCOCC)c1 ZINC000035413861 172186882 /nfs/dbraw/zinc/18/68/82/172186882.db2.gz WPFGRGLSGCTIBO-UHFFFAOYSA-N 0 3 253.342 2.349 10 0 CEAEHN CN[C@H](c1ccc(OC)cc1OC)[C@H]1CCCO1 ZINC000035489012 172223905 /nfs/dbraw/zinc/22/39/05/172223905.db2.gz NSHIZNZEGLYOGS-TZMCWYRMSA-N 0 3 251.326 2.143 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)OCCO2)[C@H]1CCCO1 ZINC000035545077 172253021 /nfs/dbraw/zinc/25/30/21/172253021.db2.gz UMLQAGABJNMJPQ-UKRRQHHQSA-N 0 3 263.337 2.287 10 0 CEAEHN C[C@H](CO)N[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000035603256 172291835 /nfs/dbraw/zinc/29/18/35/172291835.db2.gz OIEHASWIADSZES-WBMJQRKESA-N 0 3 257.333 2.452 10 0 CEAEHN CC(C)c1ccc2c(c1)[C@@H](N)[C@@H](C)CS2(=O)=O ZINC000035755749 172396855 /nfs/dbraw/zinc/39/68/55/172396855.db2.gz UEOUHOVNFXMWJR-ZANVPECISA-N 0 3 253.367 2.233 10 0 CEAEHN COC1CCN([C@@H](CN)c2ccc(Cl)cc2)CC1 ZINC000037265899 173074701 /nfs/dbraw/zinc/07/47/01/173074701.db2.gz GPZNJCYYBMVOAF-AWEZNQCLSA-N 0 3 268.788 2.451 10 0 CEAEHN O=C1c2ccccc2C(=O)N1c1cccc2c1CCNC2 ZINC000037372926 173162475 /nfs/dbraw/zinc/16/24/75/173162475.db2.gz OTBHJILUORLNAN-UHFFFAOYSA-N 0 3 278.311 2.133 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000037386278 173168501 /nfs/dbraw/zinc/16/85/01/173168501.db2.gz QIVUUOXYEYYCNO-NSHDSACASA-N 0 3 278.352 2.175 10 0 CEAEHN C[C@@H]1Cc2ccccc2N1C(=O)CNC1CCCC1 ZINC000037387048 173170735 /nfs/dbraw/zinc/17/07/35/173170735.db2.gz JUUZRTILQXCLCW-GFCCVEGCSA-N 0 3 258.365 2.496 10 0 CEAEHN CN1CCCN(Cc2cc(N)ccc2Cl)CC1 ZINC000037403076 173179726 /nfs/dbraw/zinc/17/97/26/173179726.db2.gz JOFIZMBYPADAEO-UHFFFAOYSA-N 0 3 253.777 2.060 10 0 CEAEHN CSc1ccc([C@@](C)(NC(C)C)C(N)=O)cc1 ZINC000037446607 173213309 /nfs/dbraw/zinc/21/33/09/173213309.db2.gz QKKFNEYSYQETKB-CYBMUJFWSA-N 0 3 252.383 2.107 10 0 CEAEHN CCCC1CCC(NCCN(C)C)(C(=O)OC)CC1 ZINC000037964634 173908503 /nfs/dbraw/zinc/90/85/03/173908503.db2.gz GLGTYJHEWRENTQ-UHFFFAOYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOc1cc([C@H](NC2CCCCC2)C(N)=O)ccc1O ZINC000037969631 173918587 /nfs/dbraw/zinc/91/85/87/173918587.db2.gz SXZRLOSEBAZIQB-HNNXBMFYSA-N 0 3 292.379 2.240 10 0 CEAEHN NC(=O)CCNCc1cc(-c2ccccc2)cs1 ZINC000038030799 174023560 /nfs/dbraw/zinc/02/35/60/174023560.db2.gz KLNZHIIQADQQTQ-UHFFFAOYSA-N 0 3 260.362 2.380 10 0 CEAEHN CCOc1ccc([C@](C)(N[C@H](C)CC)C(N)=O)cc1 ZINC000038065532 174075778 /nfs/dbraw/zinc/07/57/78/174075778.db2.gz WQURQEBPGUJGLL-ABAIWWIYSA-N 0 3 264.369 2.174 10 0 CEAEHN N=C(N)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000039073227 174162438 /nfs/dbraw/zinc/16/24/38/174162438.db2.gz FSGZPSOLFUMEST-UHFFFAOYSA-N 0 3 254.293 2.244 10 0 CEAEHN COC(=O)[C@H](C)CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491092 174292320 /nfs/dbraw/zinc/29/23/20/174292320.db2.gz DMLJCVOWYICAMH-GHMZBOCLSA-N 0 3 281.352 2.164 10 0 CEAEHN Cc1ccc(OC[C@H](C)N[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000040499959 174296698 /nfs/dbraw/zinc/29/66/98/174296698.db2.gz UUOHLQMAQYHUHC-GJZGRUSLSA-N 0 3 290.407 2.363 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)[C@@H]2CCCCN2)s1 ZINC000040519022 174308647 /nfs/dbraw/zinc/30/86/47/174308647.db2.gz DVLIPFQVCCXSEA-KOLCDFICSA-N 0 3 267.398 2.079 10 0 CEAEHN CC[C@@H](C)N[C@@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666554 174366267 /nfs/dbraw/zinc/36/62/67/174366267.db2.gz VFMDHZNDAXKHSO-BXUZGUMPSA-N 0 3 264.369 2.388 10 0 CEAEHN Cc1csc2nc(C)c(CN[C@H]3CCCN(C)C3)n12 ZINC000040672904 174371295 /nfs/dbraw/zinc/37/12/95/174371295.db2.gz YGVTYGJQULXAEC-LBPRGKRZSA-N 0 3 278.425 2.196 10 0 CEAEHN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(C)C2)c2ccccc2N1 ZINC000040716164 174383409 /nfs/dbraw/zinc/38/34/09/174383409.db2.gz QDFBSUZOWGKCKO-NFAWXSAZSA-N 0 3 287.407 2.185 10 0 CEAEHN COc1ccc(CNC(C)C)c(O[C@H]2CCC[C@H]2O)c1 ZINC000040904313 174430143 /nfs/dbraw/zinc/43/01/43/174430143.db2.gz KIOOVYIDVHIKDP-CABCVRRESA-N 0 3 279.380 2.485 10 0 CEAEHN CC(C)(N)c1cn(Cc2c(F)cccc2Cl)nn1 ZINC000070117882 414765624 /nfs/dbraw/zinc/76/56/24/414765624.db2.gz UZGUPLNDFLBBIO-UHFFFAOYSA-N 0 3 268.723 2.313 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@H](CN)C(F)(F)F)sc1C ZINC000662975671 414814817 /nfs/dbraw/zinc/81/48/17/414814817.db2.gz JZFJMSKDVYWROF-SECBINFHSA-N 0 3 280.315 2.327 10 0 CEAEHN C[C@H](C(=O)N(C)[C@H](CN)C(F)(F)F)c1ccccc1 ZINC000662984028 414818633 /nfs/dbraw/zinc/81/86/33/414818633.db2.gz IMNFEVBDADNDNE-GXSJLCMTSA-N 0 3 274.286 2.138 10 0 CEAEHN CN(C(=O)CCC(C)(C)C)[C@@H](CN)C(F)(F)F ZINC000662982446 414818907 /nfs/dbraw/zinc/81/89/07/414818907.db2.gz ICKABBIORYGZHB-QMMMGPOBSA-N 0 3 254.296 2.161 10 0 CEAEHN CCC(C)(C)CC(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662982496 414819144 /nfs/dbraw/zinc/81/91/44/414819144.db2.gz VKXVTGPMGKKNQH-QMMMGPOBSA-N 0 3 254.296 2.161 10 0 CEAEHN CN(C)[C@H](CNCc1ncc(Cl)s1)C1CC1 ZINC000309625243 414855053 /nfs/dbraw/zinc/85/50/53/414855053.db2.gz GGGBKRJPKVIYED-SECBINFHSA-N 0 3 259.806 2.226 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NCc1cnc2n1CCC2 ZINC000657427907 414931231 /nfs/dbraw/zinc/93/12/31/414931231.db2.gz GWJGBFKHUMNJMP-HNNXBMFYSA-N 0 3 298.434 2.439 10 0 CEAEHN C[C@H](NC1CCS(=O)CC1)c1ccc(F)cc1 ZINC000042335876 174688902 /nfs/dbraw/zinc/68/89/02/174688902.db2.gz JWOOZRWEBVNXSI-ITNLDZRZSA-N 0 3 255.358 2.387 10 0 CEAEHN CN1C[C@H](CNCc2cc(Cl)ccc2F)CC1=O ZINC000657694324 415050436 /nfs/dbraw/zinc/05/04/36/415050436.db2.gz CUKMKRJKQIGYNP-VIFPVBQESA-N 0 3 270.735 2.047 10 0 CEAEHN CCN(CC(F)(F)F)c1nc2ccccn2c1CNC ZINC000042777402 174874496 /nfs/dbraw/zinc/87/44/96/174874496.db2.gz GWTOGAFRNLGCJW-UHFFFAOYSA-N 0 3 286.301 2.442 10 0 CEAEHN OCC1CC(NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000657808559 415088291 /nfs/dbraw/zinc/08/82/91/415088291.db2.gz LDJFNBZVMNBXJT-UHFFFAOYSA-N 0 3 275.270 2.446 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccccc1Cl)N1CCC[C@@H]1C(N)=O ZINC000043051227 174959269 /nfs/dbraw/zinc/95/92/69/174959269.db2.gz XAUNZECSSPUTPB-MCIONIFRSA-N 0 3 295.814 2.068 10 0 CEAEHN N[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299999 175000902 /nfs/dbraw/zinc/00/09/02/175000902.db2.gz PYOVNOPZZWJWQM-ONGXEEELSA-N 0 3 293.310 2.140 10 0 CEAEHN CC(C)(C)c1ccc([C@@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000043299990 175001033 /nfs/dbraw/zinc/00/10/33/175001033.db2.gz BEXQOPQVZFDAOO-TZMCWYRMSA-N 0 3 281.421 2.419 10 0 CEAEHN N[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300049 175001161 /nfs/dbraw/zinc/00/11/61/175001161.db2.gz BWXAKJMVYKPOHV-RDDDGLTNSA-N 0 3 294.203 2.428 10 0 CEAEHN CCN[C@H](c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043301000 175001626 /nfs/dbraw/zinc/00/16/26/175001626.db2.gz GDFNNMLHEGKANM-JSGCOSHPSA-N 0 3 267.394 2.080 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)[C@@](C)(N)C2CC2)c1 ZINC000043318649 175005817 /nfs/dbraw/zinc/00/58/17/175005817.db2.gz BZGXNAHRGSAJQU-ZDUSSCGKSA-N 0 3 268.744 2.415 10 0 CEAEHN CCOc1ccccc1[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)NC ZINC000043811391 175109981 /nfs/dbraw/zinc/10/99/81/175109981.db2.gz XBFPYYVSQORROO-IJEWVQPXSA-N 0 3 292.423 2.455 10 0 CEAEHN CN[C@@H](CN1CCC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000043811717 175110795 /nfs/dbraw/zinc/11/07/95/175110795.db2.gz KNOZAKRZSGTSEW-HIFRSBDPSA-N 0 3 290.407 2.450 10 0 CEAEHN CCN[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000043811490 175111055 /nfs/dbraw/zinc/11/10/55/175111055.db2.gz NUSHSYIPMFFQJB-IJEWVQPXSA-N 0 3 292.423 2.455 10 0 CEAEHN CN[C@@H](CN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000043813964 175111781 /nfs/dbraw/zinc/11/17/81/175111781.db2.gz ADDPDQWHBXGNGU-ZDUSSCGKSA-N 0 3 262.353 2.162 10 0 CEAEHN CCN[C@@H](CN(C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000043823172 175114674 /nfs/dbraw/zinc/11/46/74/175114674.db2.gz GQFYCPWRNWJODX-AWEZNQCLSA-N 0 3 276.380 2.203 10 0 CEAEHN CCCOc1ccc([C@H](CN2CCOC[C@@H]2C)NC)cc1 ZINC000043891165 175118312 /nfs/dbraw/zinc/11/83/12/175118312.db2.gz MQQUMIMPZPYFHV-YOEHRIQHSA-N 0 3 292.423 2.457 10 0 CEAEHN CCOC1CCN([C@@H]2COc3ccccc3[C@@H]2NC)CC1 ZINC000043907131 175123508 /nfs/dbraw/zinc/12/35/08/175123508.db2.gz LRZJBQAOUALSAS-WBVHZDCISA-N 0 3 290.407 2.209 10 0 CEAEHN CCOc1ccccc1[C@H](CN1CCOCC1(C)C)NC ZINC000043916778 175125725 /nfs/dbraw/zinc/12/57/25/175125725.db2.gz FRKOUZUQPRJAFO-HNNXBMFYSA-N 0 3 292.423 2.457 10 0 CEAEHN C[C@H]1C[C@H](C)CN([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044113776 175141029 /nfs/dbraw/zinc/14/10/29/175141029.db2.gz BTWVWUFBRRLAKJ-GMZLATJGSA-N 0 3 261.365 2.459 10 0 CEAEHN CC(C)C[C@@H](C)NC(=O)[C@H](CN)Cc1ccccc1 ZINC000044800910 175255471 /nfs/dbraw/zinc/25/54/71/175255471.db2.gz RALUCLGIHUBSCN-HIFRSBDPSA-N 0 3 262.397 2.355 10 0 CEAEHN CC(C)[C@H](C)N(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044801998 175255762 /nfs/dbraw/zinc/25/57/62/175255762.db2.gz VUFYFWTTYVLUGK-ZFWWWQNUSA-N 0 3 262.397 2.307 10 0 CEAEHN COc1ncnc(OC)c1CNC1(C)CCCCC1 ZINC000045042672 175294934 /nfs/dbraw/zinc/29/49/34/175294934.db2.gz RSESWFHQHPBWSM-UHFFFAOYSA-N 0 3 265.357 2.306 10 0 CEAEHN C[C@H](C(=O)Nc1ccccc1CN)N(C)CC(C)(C)C ZINC000045068459 175300352 /nfs/dbraw/zinc/30/03/52/175300352.db2.gz JSCMFFNIURGUBH-GFCCVEGCSA-N 0 3 277.412 2.450 10 0 CEAEHN CCCNC(=O)CCN[C@@H]1CCCc2cc(O)ccc21 ZINC000045073080 175302799 /nfs/dbraw/zinc/30/27/99/175302799.db2.gz KWDANNMHTNFHFX-OAHLLOKOSA-N 0 3 276.380 2.276 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NC[C@H](O)c1ccccc1 ZINC000045169700 175320406 /nfs/dbraw/zinc/32/04/06/175320406.db2.gz YGGJATLJNZDVIR-NHYWBVRUSA-N 0 3 273.380 2.421 10 0 CEAEHN CCN1CCC[C@@H](N[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045172086 175321749 /nfs/dbraw/zinc/32/17/49/175321749.db2.gz YRNHFFWNUGLLOL-SMDDNHRTSA-N 0 3 264.417 2.172 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@H]2CCCN(C)C2)c1C ZINC000045172152 175321932 /nfs/dbraw/zinc/32/19/32/175321932.db2.gz LFOAMOBFKJAJPJ-RISCZKNCSA-N 0 3 264.417 2.265 10 0 CEAEHN CCN(C[C@](C)(NC)C(N)=O)c1cccc2ccccc21 ZINC000045222926 175330646 /nfs/dbraw/zinc/33/06/46/175330646.db2.gz YYQOKQPSYOGRQD-KRWDZBQOSA-N 0 3 285.391 2.130 10 0 CEAEHN CCCC[N@H+](CC)CC[C@@](C)(NC1CC1)C(=O)[O-] ZINC000045223357 175331380 /nfs/dbraw/zinc/33/13/80/175331380.db2.gz GENGBMVDRRZLLB-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCC[N@@H+](CC)CC[C@@](C)(NC1CC1)C(=O)[O-] ZINC000045223357 175331381 /nfs/dbraw/zinc/33/13/81/175331381.db2.gz GENGBMVDRRZLLB-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCCN(CC)CC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045223357 175331383 /nfs/dbraw/zinc/33/13/83/175331383.db2.gz GENGBMVDRRZLLB-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1CCCC[C@@H]1C)C(=O)[O-] ZINC000045227030 175333644 /nfs/dbraw/zinc/33/36/44/175333644.db2.gz FXYWKYUUJOCCFI-JSGCOSHPSA-N 0 3 256.390 2.094 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231867 175335757 /nfs/dbraw/zinc/33/57/57/175335757.db2.gz FUSOXYJGYXOKBH-KCQAQPDRSA-N 0 3 270.417 2.482 10 0 CEAEHN CCCN[C@@](C)(CN(C)[C@@H](C)CC)C(=O)OCC ZINC000045263883 175337606 /nfs/dbraw/zinc/33/76/06/175337606.db2.gz NZQSZQYKPFMEFF-JSGCOSHPSA-N 0 3 258.406 2.038 10 0 CEAEHN CCN(C[C@](NC)(C(=O)OC)c1ccccc1)C(C)C ZINC000045265383 175338398 /nfs/dbraw/zinc/33/83/98/175338398.db2.gz RHPDWFJNYIBDJQ-MRXNPFEDSA-N 0 3 278.396 2.005 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(C)C[C@@H](C)CC)C(=O)[O-] ZINC000045268428 175340915 /nfs/dbraw/zinc/34/09/15/175340915.db2.gz VVHJDTKTOBPDPA-GXTWGEPZSA-N 0 3 258.406 2.197 10 0 CEAEHN CCN(CC[C@@](C)(NC1CC1)C(N)=O)c1cccc(C)c1 ZINC000045273264 175343720 /nfs/dbraw/zinc/34/37/20/175343720.db2.gz WGODUGGDTCTMHC-QGZVFWFLSA-N 0 3 289.423 2.207 10 0 CEAEHN CC[NH2+][C@@](C)(CCN(C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274769 175345021 /nfs/dbraw/zinc/34/50/21/175345021.db2.gz UGXGESJSFYZFDH-FZMZJTMJSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274769 175345023 /nfs/dbraw/zinc/34/50/23/175345023.db2.gz UGXGESJSFYZFDH-FZMZJTMJSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274769 175345024 /nfs/dbraw/zinc/34/50/24/175345024.db2.gz UGXGESJSFYZFDH-FZMZJTMJSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280576 175350182 /nfs/dbraw/zinc/35/01/82/175350182.db2.gz VMHYBTRIJUNUTO-PIMMBPRGSA-N 0 3 270.417 2.340 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280576 175350184 /nfs/dbraw/zinc/35/01/84/175350184.db2.gz VMHYBTRIJUNUTO-PIMMBPRGSA-N 0 3 270.417 2.340 10 0 CEAEHN CC[NH2+][C@@](C)(CCN(C)C1CCC(C)CC1)C(=O)[O-] ZINC000045280576 175350185 /nfs/dbraw/zinc/35/01/85/175350185.db2.gz VMHYBTRIJUNUTO-PIMMBPRGSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@@](C)(CN1CCC(CC)CC1)C(=O)OC ZINC000045281385 175351896 /nfs/dbraw/zinc/35/18/96/175351896.db2.gz YFOHTVDLFMDRPZ-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN COC(=O)[C@@](C)(CN(C)CC1CCCCC1)NC1CC1 ZINC000045281594 175352716 /nfs/dbraw/zinc/35/27/16/175352716.db2.gz MCNHVNOBRIDONJ-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCN[C@@H](CN(CC)[C@@H](C)CC)C(=O)OCC ZINC000045385122 175372163 /nfs/dbraw/zinc/37/21/63/175372163.db2.gz FFWDFDJHNBWHHX-STQMWFEESA-N 0 3 258.406 2.038 10 0 CEAEHN COc1cc([C@@H](C)NC2CC(CO)C2)ccc1F ZINC000658357197 415336854 /nfs/dbraw/zinc/33/68/54/415336854.db2.gz SVBQFCUJRLGJBS-GRZMOONWSA-N 0 3 253.317 2.256 10 0 CEAEHN CN[C@H](Cc1nc(C)cs1)c1c(C)ccnc1N ZINC000070403417 175911518 /nfs/dbraw/zinc/91/15/18/175911518.db2.gz MSWAJWSGUPXRHM-SNVBAGLBSA-N 0 3 262.382 2.240 10 0 CEAEHN CC(C)(C)c1cc(NN)nc([C@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000070428328 175924042 /nfs/dbraw/zinc/92/40/42/175924042.db2.gz KRUGLOHAUQHUDN-UTLUCORTSA-N 0 3 262.357 2.095 10 0 CEAEHN NCc1ccnn1Cc1sccc1Br ZINC000070708285 176002465 /nfs/dbraw/zinc/00/24/65/176002465.db2.gz YFUYBVYDERMGEK-UHFFFAOYSA-N 0 3 272.171 2.214 10 0 CEAEHN CNC(=O)[C@@H](CC(C)C)NCc1cccc2[nH]ccc21 ZINC000070939168 176013101 /nfs/dbraw/zinc/01/31/01/176013101.db2.gz NOUQNZLUDUBGSY-OAHLLOKOSA-N 0 3 273.380 2.418 10 0 CEAEHN CC(C)N1C(=O)CC[C@@H](N)[C@H]1c1cccc(F)c1F ZINC000070987013 176018392 /nfs/dbraw/zinc/01/83/92/176018392.db2.gz FFKABRZRJDQVRK-BXUZGUMPSA-N 0 3 268.307 2.364 10 0 CEAEHN COC(=O)[C@@H](C)CN(C)C[C@H]1OCCc2ccccc21 ZINC000071030888 176021777 /nfs/dbraw/zinc/02/17/77/176021777.db2.gz XXVKKPWJKSDCQZ-SWLSCSKDSA-N 0 3 277.364 2.041 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2nc(C(C)C)cs2)C1=O ZINC000071033782 176024464 /nfs/dbraw/zinc/02/44/64/176024464.db2.gz SXTUNHDBCDODAF-SNVBAGLBSA-N 0 3 267.398 2.370 10 0 CEAEHN COc1ccc(N2CCC[C@H](NC3CC3)C2=O)c(C)c1 ZINC000071042633 176028745 /nfs/dbraw/zinc/02/87/45/176028745.db2.gz FAWZKFADMKLYPO-AWEZNQCLSA-N 0 3 274.364 2.251 10 0 CEAEHN CC(C)N[C@H]1CCN(c2cc(F)cc(F)c2F)C1=O ZINC000071042846 176029412 /nfs/dbraw/zinc/02/94/12/176029412.db2.gz HIAYPOJHWCLZRA-JTQLQIEISA-N 0 3 272.270 2.207 10 0 CEAEHN CC[C@@H]1CCCC[C@@]1(NCCN(CC)CC)C(=O)OC ZINC000071162668 176046782 /nfs/dbraw/zinc/04/67/82/176046782.db2.gz VFMXSHKDRAPFBF-ZBFHGGJFSA-N 0 3 284.444 2.430 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(C)C)CCCC[C@H]1CC ZINC000071162794 176047068 /nfs/dbraw/zinc/04/70/68/176047068.db2.gz NBPQENWCZSGOBJ-UKRRQHHQSA-N 0 3 270.417 2.040 10 0 CEAEHN NCc1cnc(O[C@@H]2CCCc3ccccc32)cn1 ZINC000071178318 176055608 /nfs/dbraw/zinc/05/56/08/176055608.db2.gz VGEAJZFMVHVEKH-CQSZACIVSA-N 0 3 255.321 2.392 10 0 CEAEHN CN[C@@H](C)c1cc(Cl)ccc1O[C@@H]1CCN(C)C1=O ZINC000071183086 176058354 /nfs/dbraw/zinc/05/83/54/176058354.db2.gz XDIURKZKOPLBQB-TVQRCGJNSA-N 0 3 282.771 2.230 10 0 CEAEHN Cc1c(Cl)nnc(N(C)[C@H]2CCCN(C)C2)c1C ZINC000071187097 176060679 /nfs/dbraw/zinc/06/06/79/176060679.db2.gz PSDIVAOQHNEHCA-NSHDSACASA-N 0 3 268.792 2.277 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000071189314 176064650 /nfs/dbraw/zinc/06/46/50/176064650.db2.gz CSHMEBZTZWXBOD-SECBINFHSA-N 0 3 286.297 2.128 10 0 CEAEHN C[C@H](C(=O)c1ccc(F)c(F)c1)N(C)C[C@@H]1CCN(C)C1 ZINC000071189984 176065180 /nfs/dbraw/zinc/06/51/80/176065180.db2.gz ZNHWIGQIFVLPPM-VXGBXAGGSA-N 0 3 296.361 2.420 10 0 CEAEHN CCCCN(CC)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071239109 176093775 /nfs/dbraw/zinc/09/37/75/176093775.db2.gz KXVPYLYDSXVZIU-UHFFFAOYSA-N 0 3 288.388 2.095 10 0 CEAEHN Nc1ccn(CCCN2CCC[C@@H]2c2ccncc2)n1 ZINC000071352068 176134944 /nfs/dbraw/zinc/13/49/44/176134944.db2.gz KYZDDZIJJXARNM-CQSZACIVSA-N 0 3 271.368 2.088 10 0 CEAEHN c1cn([C@H]2CCC[C@@H]2NCc2cnn3ccccc23)cn1 ZINC000071373012 176138611 /nfs/dbraw/zinc/13/86/11/176138611.db2.gz AHFZLFMBWCIOSM-HOCLYGCPSA-N 0 3 281.363 2.414 10 0 CEAEHN CCNCc1cc(C)ccc1OCC(=O)N[C@@H](C)CC ZINC000071406113 176155706 /nfs/dbraw/zinc/15/57/06/176155706.db2.gz YHKDKMJUFMRUKX-ZDUSSCGKSA-N 0 3 278.396 2.398 10 0 CEAEHN Cc1ccc(O[C@H](C)C(=O)N(C)C)c(CNC(C)C)c1 ZINC000071406619 176156150 /nfs/dbraw/zinc/15/61/50/176156150.db2.gz OMNPDEIBZNNNBQ-CYBMUJFWSA-N 0 3 278.396 2.349 10 0 CEAEHN Cc1ccncc1NC(=O)[C@@H](CN)Cc1ccccc1 ZINC000071414056 176159407 /nfs/dbraw/zinc/15/94/07/176159407.db2.gz RXXATQWLNDEJTO-CQSZACIVSA-N 0 3 269.348 2.146 10 0 CEAEHN COc1ccc([C@@H](CO)NC(C)C)c(OC)c1C ZINC000071574809 176201890 /nfs/dbraw/zinc/20/18/90/176201890.db2.gz FTTRGVQMVOUIRJ-GFCCVEGCSA-N 0 3 253.342 2.044 10 0 CEAEHN C[C@H](NC[C@@H](O)CO)c1ccc(-c2ccccc2)cc1 ZINC000078430038 177340528 /nfs/dbraw/zinc/34/05/28/177340528.db2.gz DWTOYLPNZNZRIR-SUMWQHHRSA-N 0 3 271.360 2.357 10 0 CEAEHN Nc1ccncc1[C@@H](O)c1ccc2ccccc2n1 ZINC000078597853 177357691 /nfs/dbraw/zinc/35/76/91/177357691.db2.gz PBSFIHLIPMPWCI-OAHLLOKOSA-N 0 3 251.289 2.294 10 0 CEAEHN CCN(Cc1cc(OC)ccc1OC)CC(C)(C)O ZINC000078747215 177380898 /nfs/dbraw/zinc/38/08/98/177380898.db2.gz XKBYIRCOSHKEKT-UHFFFAOYSA-N 0 3 267.369 2.297 10 0 CEAEHN CC[C@@](C)(O)CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000249380376 287394492 /nfs/dbraw/zinc/39/44/92/287394492.db2.gz OZELFFGQGUMXHK-SJORKVTESA-N 0 3 275.392 2.321 10 0 CEAEHN C[C@H](COCc1ccccc1)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000390728018 262247257 /nfs/dbraw/zinc/24/72/57/262247257.db2.gz SXJMFUVSIORVMF-IIAWOOMASA-N 0 3 290.407 2.096 10 0 CEAEHN Cc1ccc(CN(C)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000194319677 270296705 /nfs/dbraw/zinc/29/67/05/270296705.db2.gz NEAVOZRSSJSJRX-SWLSCSKDSA-N 0 3 293.411 2.458 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)c2cccnc2)C1 ZINC000250032085 270327759 /nfs/dbraw/zinc/32/77/59/270327759.db2.gz DVTIPZMGDJBIAY-HIFRSBDPSA-N 0 3 290.411 2.268 10 0 CEAEHN Cc1csc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)n1 ZINC000398713284 270360975 /nfs/dbraw/zinc/36/09/75/270360975.db2.gz PJGVQVNJKWVHAB-QJPTWQEYSA-N 0 3 252.383 2.044 10 0 CEAEHN CN1CCC(C(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000334760375 277025088 /nfs/dbraw/zinc/02/50/88/277025088.db2.gz SYSZFXPHQAZURT-ZDUSSCGKSA-N 0 3 250.386 2.167 10 0 CEAEHN COC(C)(C)CCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000336784333 277176694 /nfs/dbraw/zinc/17/66/94/277176694.db2.gz OZLZUHTTZAXXQF-UONOGXRCSA-N 0 3 254.418 2.360 10 0 CEAEHN CN1c2ccccc2[C@@H](NCCc2ccccn2)CC1=O ZINC000037201292 277217976 /nfs/dbraw/zinc/21/79/76/277217976.db2.gz HGEWPKAGHZHCGM-HNNXBMFYSA-N 0 3 281.359 2.322 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CCCCN2)[C@@H]1C ZINC000227968611 277729003 /nfs/dbraw/zinc/72/90/03/277729003.db2.gz FNZSMTANKFFBQF-GUIRCDHDSA-N 0 3 252.402 2.460 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC ZINC000236914822 278938101 /nfs/dbraw/zinc/93/81/01/278938101.db2.gz ULDDXPGPCLYBBJ-YVECIDJPSA-N 0 3 270.417 2.070 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000263522302 279059438 /nfs/dbraw/zinc/05/94/38/279059438.db2.gz RQLOQQOKHYUSCI-PNESKVBLSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC(C)(C)C2)C1 ZINC000263522302 279059439 /nfs/dbraw/zinc/05/94/39/279059439.db2.gz RQLOQQOKHYUSCI-PNESKVBLSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC(C)(C)C2)C1 ZINC000263522302 279059440 /nfs/dbraw/zinc/05/94/40/279059440.db2.gz RQLOQQOKHYUSCI-PNESKVBLSA-N 0 3 268.401 2.092 10 0 CEAEHN Cc1nc2c(s1)[C@@H](N[C@H]1CCc3ncnn3C1)CCC2 ZINC000180589483 279117692 /nfs/dbraw/zinc/11/76/92/279117692.db2.gz OBMPCFLOXGTTAI-JQWIXIFHSA-N 0 3 289.408 2.025 10 0 CEAEHN C[C@H]1[NH2+]CCC[C@@H]1N=c1[n-]oc2ccc(Cl)cc21 ZINC000333531750 280044558 /nfs/dbraw/zinc/04/45/58/280044558.db2.gz MINAMDDTMZATNW-KCJUWKMLSA-N 0 3 265.744 2.456 10 0 CEAEHN Cc1ccc(CN[C@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000195404788 280203748 /nfs/dbraw/zinc/20/37/48/280203748.db2.gz GYKPVWNGIKFZCB-LBPRGKRZSA-N 0 3 274.368 2.408 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000173330090 280217615 /nfs/dbraw/zinc/21/76/15/280217615.db2.gz DUCLCKTWUQWNOR-AGIUHOORSA-N 0 3 255.406 2.155 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000246309489 280286665 /nfs/dbraw/zinc/28/66/65/280286665.db2.gz DTUJKXRJCZACAO-AVGNSLFASA-N 0 3 253.390 2.053 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(C)CC2)C1 ZINC000246585598 280302290 /nfs/dbraw/zinc/30/22/90/280302290.db2.gz YNHFUXGOAOUKMO-KGLIPLIRSA-N 0 3 267.417 2.157 10 0 CEAEHN C[C@@H]1CCC[C@H](CCN2CCCNC(=O)[C@H]2C)C1 ZINC000248890929 280372236 /nfs/dbraw/zinc/37/22/36/280372236.db2.gz AXISNPXKDRZUOS-MGPQQGTHSA-N 0 3 252.402 2.413 10 0 CEAEHN Cc1ccc2nccc(N3CCN(C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730170 281169704 /nfs/dbraw/zinc/16/97/04/281169704.db2.gz MLMVWFSMCTVGJE-GJZGRUSLSA-N 0 3 299.418 2.435 10 0 CEAEHN CO[C@H]1C[C@@H](CO)N(CCCOc2ccc(Cl)cc2)C1 ZINC000312526640 289281109 /nfs/dbraw/zinc/28/11/09/289281109.db2.gz PFEOZZAPCWPSCZ-ZFWWWQNUSA-N 0 3 299.798 2.191 10 0 CEAEHN Cc1cc(C)cc(OC[C@H](O)CN2CCS[C@@H](C)C2)c1 ZINC000245811483 301228117 /nfs/dbraw/zinc/22/81/17/301228117.db2.gz HECAOFFSIIXPOM-LSDHHAIUSA-N 0 3 295.448 2.480 10 0 CEAEHN Cc1cnc(NC[C@H]2NCCc3ccccc32)nc1C ZINC000386694995 321873075 /nfs/dbraw/zinc/87/30/75/321873075.db2.gz SMOARQMXVCDMQN-OAHLLOKOSA-N 0 3 268.364 2.392 10 0 CEAEHN CC(C)N[C@](C)(C[C@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656470 519740150 /nfs/dbraw/zinc/74/01/50/519740150.db2.gz IBXGVTJCOBIOMM-XHDPSFHLSA-N 0 3 282.359 2.225 10 0 CEAEHN CCCC1CCN(C[C@@](C)(NC)C(=O)OCC)CC1 ZINC000050905564 519902309 /nfs/dbraw/zinc/90/23/09/519902309.db2.gz OTQNIQVRSXKTGF-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNCc1cc(CN2CCOC(C)(C)C2)c(C)o1 ZINC000052481903 519989499 /nfs/dbraw/zinc/98/94/99/519989499.db2.gz BOQQVNFSULCGDC-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN CCNCc1cnn([C@@H]2CCCCC[C@@H]2O)c1C ZINC000054600495 520017051 /nfs/dbraw/zinc/01/70/51/520017051.db2.gz GLKDJPPJGSBCPT-KGLIPLIRSA-N 0 3 251.374 2.167 10 0 CEAEHN CCNCc1coc(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000052540281 520017652 /nfs/dbraw/zinc/01/76/52/520017652.db2.gz BJVUOUOUSSGJIN-GJZGRUSLSA-N 0 3 264.369 2.142 10 0 CEAEHN CCCN[C@H](CS(C)(=O)=O)c1cc(C)cc(C)c1 ZINC000052789268 520085215 /nfs/dbraw/zinc/08/52/15/520085215.db2.gz OHPLBTZZUYUOFT-CQSZACIVSA-N 0 3 269.410 2.389 10 0 CEAEHN CCN[C@@H](c1ccc(CC)cc1)[C@@H](C)S(C)(=O)=O ZINC000054930474 520108976 /nfs/dbraw/zinc/10/89/76/520108976.db2.gz ZDSZVLIIBOJOFJ-BXUZGUMPSA-N 0 3 269.410 2.333 10 0 CEAEHN CCCCCN(C)C[C@@](NCCC)(C(=O)OC)C1CC1 ZINC000069098321 520153246 /nfs/dbraw/zinc/15/32/46/520153246.db2.gz NPWVZFQXLGSNFB-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCOC[C@H](O)COc1ccc(Cl)cc1[C@@H](C)N ZINC000069275788 520164455 /nfs/dbraw/zinc/16/44/55/520164455.db2.gz JEESHYYKPZWGMI-KOLCDFICSA-N 0 3 273.760 2.136 10 0 CEAEHN CCCNc1snnc1CN(CCN(C)C)CC(C)C ZINC000050814882 520201929 /nfs/dbraw/zinc/20/19/29/520201929.db2.gz YYNDXEXZALFYAT-UHFFFAOYSA-N 0 3 299.488 2.380 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1ccccc1CC)C(N)=O ZINC000068657446 520242376 /nfs/dbraw/zinc/24/23/76/520242376.db2.gz UYTWDOWKSQYSEL-BLLLJJGKSA-N 0 3 278.396 2.260 10 0 CEAEHN CCCC[C@@H](C)NS(=O)(=O)c1cccc(CN)c1 ZINC000050888227 521009892 /nfs/dbraw/zinc/00/98/92/521009892.db2.gz YWGIADQHQFDFQW-LLVKDONJSA-N 0 3 270.398 2.002 10 0 CEAEHN CCC[C@H](C)N(C)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069100174 521035440 /nfs/dbraw/zinc/03/54/40/521035440.db2.gz COJHSDXRUJMOCE-BLLLJJGKSA-N 0 3 282.428 2.181 10 0 CEAEHN CCOC(=O)[C@@](CN(CC)C(C)C)(NC1CC1)C1CC1 ZINC000069097143 521167281 /nfs/dbraw/zinc/16/72/81/521167281.db2.gz DZEFOLQHKRQBCO-INIZCTEOSA-N 0 3 282.428 2.181 10 0 CEAEHN CCN(c1nc2c(s1)[C@@H](N)CCC2)[C@@H](C)COC ZINC000054896674 521505804 /nfs/dbraw/zinc/50/58/04/521505804.db2.gz VLYLSBLPSMXBOG-UWVGGRQHSA-N 0 3 269.414 2.340 10 0 CEAEHN CNCc1ccccc1OCCn1cnc(C)c1C ZINC000052593535 522138375 /nfs/dbraw/zinc/13/83/75/522138375.db2.gz HHKSFWACKGVDGQ-UHFFFAOYSA-N 0 3 259.353 2.298 10 0 CEAEHN COC(=O)c1cc(CN2CCN3CCCC[C@H]3C2)cs1 ZINC000411379063 533794160 /nfs/dbraw/zinc/79/41/60/533794160.db2.gz AYCGYXDEXJQSAE-ZDUSSCGKSA-N 0 3 294.420 2.205 10 0 CEAEHN CCCn1c(=O)[n-]nc1S[C@H]1CCCC(C)(C)[C@H]1[NH2+]C ZINC000094283870 517623094 /nfs/dbraw/zinc/62/30/94/517623094.db2.gz FPRIQKUKOOZRSX-QWRGUYRKSA-N 0 3 298.456 2.240 10 0 CEAEHN CC(C)(C(=O)N1CCNCC1(C)C)c1ccccc1 ZINC000062656959 518514130 /nfs/dbraw/zinc/51/41/30/518514130.db2.gz MFPRSYPIBRCKFJ-UHFFFAOYSA-N 0 3 260.381 2.175 10 0 CEAEHN CC(C)N1CCN([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024731 519683234 /nfs/dbraw/zinc/68/32/34/519683234.db2.gz KEFGVVDNCVXIKL-HNNXBMFYSA-N 0 3 291.464 2.430 10 0 CEAEHN CC(C)C[N@H+](CC[C@@H](NC(C)C)C(=O)[O-])C(C)C ZINC000062525351 519717370 /nfs/dbraw/zinc/71/73/70/519717370.db2.gz MFSDSLGQXNLYTE-CYBMUJFWSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)C[N@@H+](CC[C@@H](NC(C)C)C(=O)[O-])C(C)C ZINC000062525351 519717372 /nfs/dbraw/zinc/71/73/72/519717372.db2.gz MFSDSLGQXNLYTE-CYBMUJFWSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)NCc1cnc(N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000054900501 519728388 /nfs/dbraw/zinc/72/83/88/519728388.db2.gz FEEQVYWYWSBYEP-QWRGUYRKSA-N 0 3 269.414 2.255 10 0 CEAEHN CC(C)[NH2+][C@](C)(C[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000068620384 519739736 /nfs/dbraw/zinc/73/97/36/519739736.db2.gz YIKAGFAQDAOBAO-TZMCWYRMSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@H](CN2CCC(CO)CC2)C1 ZINC000054558809 519801785 /nfs/dbraw/zinc/80/17/85/519801785.db2.gz NEZIPMQNXIAMKX-CABCVRRESA-N 0 3 267.413 2.332 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1c[nH]c2cc(N)ccc12 ZINC000049192078 519814149 /nfs/dbraw/zinc/81/41/49/519814149.db2.gz HTTDWANIHLVKMH-HNNXBMFYSA-N 0 3 288.395 2.066 10 0 CEAEHN CC(C)[C@H](N[C@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000049554883 519821591 /nfs/dbraw/zinc/82/15/91/519821591.db2.gz CWMMBUHFAGCYDS-FZMZJTMJSA-N 0 3 292.404 2.325 10 0 CEAEHN CCCC1CCN(CC[C@](C)(NCC)C(=O)OC)CC1 ZINC000050905741 519901336 /nfs/dbraw/zinc/90/13/36/519901336.db2.gz WZHBVCHLPXCVRY-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000061290764 519905974 /nfs/dbraw/zinc/90/59/74/519905974.db2.gz SOXJFOGMRMWNLF-UHFFFAOYSA-N 0 3 278.352 2.108 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000061298705 519907370 /nfs/dbraw/zinc/90/73/70/519907370.db2.gz NPBMPWPITAMYLO-UHFFFAOYSA-N 0 3 261.325 2.463 10 0 CEAEHN CCCNCc1cc(CN(CCOC)[C@H](C)CC)on1 ZINC000052547324 519943899 /nfs/dbraw/zinc/94/38/99/519943899.db2.gz WSCVNMRJRYFBNE-CYBMUJFWSA-N 0 3 283.416 2.421 10 0 CEAEHN CCCNCc1cc(OC)ccc1O[C@H]1CCOC1 ZINC000070071478 519946940 /nfs/dbraw/zinc/94/69/40/519946940.db2.gz UTIYTPIKFFPLRI-AWEZNQCLSA-N 0 3 265.353 2.363 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC ZINC000062747406 519988644 /nfs/dbraw/zinc/98/86/44/519988644.db2.gz SGGGUOIPUQXVHV-WDEREUQCSA-N 0 3 282.359 2.400 10 0 CEAEHN CCNCc1cc(C)nc(Cc2ccc(OC)cc2)n1 ZINC000054831259 519988739 /nfs/dbraw/zinc/98/87/39/519988739.db2.gz ODEXUYRTZBPCDT-UHFFFAOYSA-N 0 3 271.364 2.494 10 0 CEAEHN CCNCc1cc(CN2C[C@@H](C)OC[C@@H]2C)c(C)o1 ZINC000052476717 519989922 /nfs/dbraw/zinc/98/99/22/519989922.db2.gz JXOVYBYULZKNML-NWDGAFQWSA-N 0 3 266.385 2.307 10 0 CEAEHN CCNCc1cc(CN2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000052380322 519990557 /nfs/dbraw/zinc/99/05/57/519990557.db2.gz DSIIEOVBLKFREN-TXEJJXNPSA-N 0 3 266.385 2.307 10 0 CEAEHN CCCN[C@@H](c1cc(F)ccc1F)[C@@H]1COCCO1 ZINC000055300491 520015322 /nfs/dbraw/zinc/01/53/22/520015322.db2.gz BCJJTMZISSCPGT-KBPBESRZSA-N 0 3 271.307 2.421 10 0 CEAEHN CCCN[C@@H](c1cc(F)ccc1OC)[C@H]1COCCO1 ZINC000055300669 520015692 /nfs/dbraw/zinc/01/56/92/520015692.db2.gz QJTSALDWMUBGHL-CABCVRRESA-N 0 3 283.343 2.290 10 0 CEAEHN CCNCc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000053294387 520017391 /nfs/dbraw/zinc/01/73/91/520017391.db2.gz GIDJNCIACAVRJG-UHFFFAOYSA-N 0 3 296.417 2.323 10 0 CEAEHN CCNCc1cnn(Cc2cc(F)ccc2F)c1 ZINC000054719387 520018113 /nfs/dbraw/zinc/01/81/13/520018113.db2.gz AIOUCIGRWZJVDZ-UHFFFAOYSA-N 0 3 251.280 2.319 10 0 CEAEHN CCNCc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000052381046 520020233 /nfs/dbraw/zinc/02/02/33/520020233.db2.gz ZLPOTYFOUMQKKS-LLVKDONJSA-N 0 3 253.415 2.485 10 0 CEAEHN CCNCc1nc(Cn2nc(C)cc2C)cs1 ZINC000052576000 520020873 /nfs/dbraw/zinc/02/08/73/520020873.db2.gz ISFBNHFBRMGCEO-UHFFFAOYSA-N 0 3 250.371 2.114 10 0 CEAEHN CCCN[C@@H]1CCN(c2ccccc2OCC)C1=O ZINC000049647479 520024127 /nfs/dbraw/zinc/02/41/27/520024127.db2.gz SIGCPQDEJVWKHL-GFCCVEGCSA-N 0 3 262.353 2.190 10 0 CEAEHN CCCN[C@@](C)(CN1CCCC(C)(C)C1)C(=O)OCC ZINC000069516723 520038588 /nfs/dbraw/zinc/03/85/88/520038588.db2.gz KCKWCRWDHCHQBV-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCN[C@@](CO[C@@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196125 520055364 /nfs/dbraw/zinc/05/53/64/520055364.db2.gz RJWUOTDDKROIAB-JGGQBBKZSA-N 0 3 282.428 2.215 10 0 CEAEHN CCN[C@@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451249 520084660 /nfs/dbraw/zinc/08/46/60/520084660.db2.gz XKTJODMHOKBHJT-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@H](CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451249 520084665 /nfs/dbraw/zinc/08/46/65/520084665.db2.gz XKTJODMHOKBHJT-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OCC(=O)OC ZINC000062747371 520063799 /nfs/dbraw/zinc/06/37/99/520063799.db2.gz WKSMZZTVPXGQMK-SNVBAGLBSA-N 0 3 269.316 2.438 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)N(C)C ZINC000062747004 520075834 /nfs/dbraw/zinc/07/58/34/520075834.db2.gz SGNDISJUHYBQAR-WDEREUQCSA-N 0 3 282.359 2.352 10 0 CEAEHN CCN[C@@H](CCSc1ccc(C)c(C)c1)C(N)=O ZINC000062599731 520095231 /nfs/dbraw/zinc/09/52/31/520095231.db2.gz GJEBQXDMEJYLJZ-ZDUSSCGKSA-N 0 3 266.410 2.249 10 0 CEAEHN CCCN[C@](CN1CCCCCC1)(C(=O)OC)C1CC1 ZINC000069095032 520121248 /nfs/dbraw/zinc/12/12/48/520121248.db2.gz KXHPBRHHNUJQOG-INIZCTEOSA-N 0 3 282.428 2.184 10 0 CEAEHN CCCN[C@](CO[C@@H](C)CC(C)C)(C(N)=O)C1CC1 ZINC000069196494 520123984 /nfs/dbraw/zinc/12/39/84/520123984.db2.gz XGEZOTPPPPUHDD-WFASDCNBSA-N 0 3 270.417 2.071 10 0 CEAEHN CCN[C@@H]1COc2cc(OCCC(=O)NC(C)C)ccc21 ZINC000062804723 520124711 /nfs/dbraw/zinc/12/47/11/520124711.db2.gz OAIJJNDBNISSRB-CQSZACIVSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCNc1cc(CN2CCCN(C)CC2)ccn1 ZINC000052717988 520136278 /nfs/dbraw/zinc/13/62/78/520136278.db2.gz HZJJXXHERLNARW-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CCN[C@H](Cc1cnn(CC)c1)c1ncccc1C ZINC000050543240 520203789 /nfs/dbraw/zinc/20/37/89/520203789.db2.gz KSMSSBXSDSGEQS-CQSZACIVSA-N 0 3 258.369 2.500 10 0 CEAEHN CCOCc1ccccc1NC(=O)C(C)(C)NC ZINC000061300588 520217956 /nfs/dbraw/zinc/21/79/56/520217956.db2.gz AIHLHCNPEYQQTC-UHFFFAOYSA-N 0 3 250.342 2.160 10 0 CEAEHN CCOC(=O)/C=C/c1ccc(NC(=O)C(C)(C)NC)cc1 ZINC000061318512 520400001 /nfs/dbraw/zinc/40/00/01/520400001.db2.gz CKGOEMJVJPBRNE-DHZHZOJOSA-N 0 3 290.363 2.199 10 0 CEAEHN CCCCN(C)C[C@](NCCC)(C(=O)OCC)C1CC1 ZINC000069088874 520418353 /nfs/dbraw/zinc/41/83/53/520418353.db2.gz POUPCUUSEAKGAH-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCOc1ccc([C@H](CN2CCCOCC2)NC)cc1 ZINC000061917955 520428193 /nfs/dbraw/zinc/42/81/93/520428193.db2.gz WROYEFLRKKTBAD-KRWDZBQOSA-N 0 3 292.423 2.458 10 0 CEAEHN CCCCN(CC(=O)CC(=O)OCC)[C@@H](C)CC ZINC000068813943 520440672 /nfs/dbraw/zinc/44/06/72/520440672.db2.gz YOFPMXWLSRSSLT-LBPRGKRZSA-N 0 3 257.374 2.409 10 0 CEAEHN CCCOc1cccc([C@@H](CN)N(C)CCOC)c1 ZINC000052921107 520465305 /nfs/dbraw/zinc/46/53/05/520465305.db2.gz NBLOTMNJSZVDMC-OAHLLOKOSA-N 0 3 266.385 2.053 10 0 CEAEHN CCCOc1cccc([C@@H](CN)N2CCOC[C@@H]2C)c1 ZINC000052920990 520465679 /nfs/dbraw/zinc/46/56/79/520465679.db2.gz ZSFBMGNEQCXRTH-XJKSGUPXSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCOc1ccccc1O[C@H](C)C[C@@](C)(NC)C(N)=O ZINC000068653985 520485804 /nfs/dbraw/zinc/48/58/04/520485804.db2.gz IYWUTPBLMKVOAA-MLGOLLRUSA-N 0 3 294.395 2.096 10 0 CEAEHN CCN(CC)C(=O)COc1cc(F)ccc1[C@H](C)NC ZINC000062746557 520490392 /nfs/dbraw/zinc/49/03/92/520490392.db2.gz VAVCCNXKJKPEJW-NSHDSACASA-N 0 3 282.359 2.353 10 0 CEAEHN CCC[C@@H](C)N(C)Cc1ccnc(C(N)=S)c1 ZINC000068752021 520645117 /nfs/dbraw/zinc/64/51/17/520645117.db2.gz FFEUJXNELWLPDX-SNVBAGLBSA-N 0 3 251.399 2.336 10 0 CEAEHN CCOC(=O)COc1cc(F)ccc1[C@@H](C)NC ZINC000062746432 520799759 /nfs/dbraw/zinc/79/97/59/520799759.db2.gz LAYDUGHNISERCA-SECBINFHSA-N 0 3 255.289 2.048 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1c(CNC)cccc1OCC ZINC000049954766 521031551 /nfs/dbraw/zinc/03/15/51/521031551.db2.gz OKDAVELCQPXNLB-LLVKDONJSA-N 0 3 281.352 2.135 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)NC ZINC000062746178 521032292 /nfs/dbraw/zinc/03/22/92/521032292.db2.gz RKWQTFITWSFCHS-VHSXEESVSA-N 0 3 269.316 2.437 10 0 CEAEHN CCOc1ccc([C@@H](Cn2ccc(=O)cc2)NC)cc1 ZINC000061627784 521229334 /nfs/dbraw/zinc/22/93/34/521229334.db2.gz YZXGUXXHIUUYTM-MRXNPFEDSA-N 0 3 272.348 2.208 10 0 CEAEHN CCN(C[C@H]1CCCO1)[C@@H](CN)c1ccccc1F ZINC000048953437 521268517 /nfs/dbraw/zinc/26/85/17/521268517.db2.gz HOHFRLHDZNSRLV-DOMZBBRYSA-N 0 3 266.360 2.326 10 0 CEAEHN CCN(Cc1cc(CNC(C)(C)C)no1)[C@H](C)COC ZINC000052504852 521290936 /nfs/dbraw/zinc/29/09/36/521290936.db2.gz WQFDDCYSBXHTBQ-GFCCVEGCSA-N 0 3 283.416 2.420 10 0 CEAEHN CCN1C(=O)C[C@@H](N)[C@H]1c1ccc(Br)s1 ZINC000069798214 521522524 /nfs/dbraw/zinc/52/25/24/521522524.db2.gz IKFDIJVLNIJFKB-LDWIPMOCSA-N 0 3 289.198 2.131 10 0 CEAEHN CCOC1CCN(c2ncc([C@@H](C)N)s2)CC1 ZINC000054896431 521657614 /nfs/dbraw/zinc/65/76/14/521657614.db2.gz CBVZMZSEZGVSKD-SECBINFHSA-N 0 3 255.387 2.168 10 0 CEAEHN CCCN(Cc1ccnc(CN)c1)CC(F)(F)F ZINC000068750309 521691186 /nfs/dbraw/zinc/69/11/86/521691186.db2.gz JCWCXBSJLCVZTM-UHFFFAOYSA-N 0 3 261.291 2.315 10 0 CEAEHN CCN1CCN(c2nc(C3CC3)c(CN)s2)C[C@@H]1C ZINC000069182922 521701097 /nfs/dbraw/zinc/70/10/97/521701097.db2.gz OCNAVFWJDQMVRV-JTQLQIEISA-N 0 3 280.441 2.010 10 0 CEAEHN CCNC(=O)COc1cc(F)ccc1[C@@H](C)NCC ZINC000062747071 521738511 /nfs/dbraw/zinc/73/85/11/521738511.db2.gz FHSFLTGCLYRASI-SNVBAGLBSA-N 0 3 268.332 2.011 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2ccc(OC)cc2OC)c[nH]1 ZINC000052811296 521834426 /nfs/dbraw/zinc/83/44/26/521834426.db2.gz VPPLVQYJBZTJBO-GFCCVEGCSA-N 0 3 291.351 2.130 10 0 CEAEHN CNCc1ccc(-n2nc(C)c(Cl)c2C)nc1 ZINC000051487747 522113581 /nfs/dbraw/zinc/11/35/81/522113581.db2.gz XONRGURBSBUXRD-UHFFFAOYSA-N 0 3 250.733 2.257 10 0 CEAEHN CNCc1cc(F)ccc1N1CCC[C@H]1CCCO ZINC000052761749 522115086 /nfs/dbraw/zinc/11/50/86/522115086.db2.gz VSONZQRQTPBKDL-AWEZNQCLSA-N 0 3 266.360 2.286 10 0 CEAEHN CNCc1ccc(Cn2cc(Br)cn2)o1 ZINC000052577442 522116745 /nfs/dbraw/zinc/11/67/45/522116745.db2.gz GCPZUPSPAPNLHH-UHFFFAOYSA-N 0 3 270.130 2.006 10 0 CEAEHN CC[C@@H](C)N1CCN(CCc2ccccc2N)CC1 ZINC000055063572 522121736 /nfs/dbraw/zinc/12/17/36/522121736.db2.gz ORSLAAGVOVUMCZ-CQSZACIVSA-N 0 3 261.413 2.227 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(CO)cc2C)CC1 ZINC000055068056 522135415 /nfs/dbraw/zinc/13/54/15/522135415.db2.gz NXMTZCBWRUBAKW-CQSZACIVSA-N 0 3 262.397 2.408 10 0 CEAEHN CNCc1coc(Cn2ccc(C(F)(F)F)n2)c1 ZINC000052592573 522149410 /nfs/dbraw/zinc/14/94/10/522149410.db2.gz GPFSVEUDTXOHIM-UHFFFAOYSA-N 0 3 259.231 2.263 10 0 CEAEHN CNCc1oc2ccccc2c1CN1CCOC[C@@H]1C ZINC000052475837 522161429 /nfs/dbraw/zinc/16/14/29/522161429.db2.gz YQFXZPGBARHREJ-LBPRGKRZSA-N 0 3 274.364 2.373 10 0 CEAEHN CNCc1sc(N2CCOCC2(C)C)nc1C1CC1 ZINC000069181575 522167363 /nfs/dbraw/zinc/16/73/63/522167363.db2.gz VYKOMUFWNWAHBY-UHFFFAOYSA-N 0 3 281.425 2.355 10 0 CEAEHN CNCc1sc(N2C[C@@H](C)O[C@H](C)C2)nc1C1CC1 ZINC000069146671 522169745 /nfs/dbraw/zinc/16/97/45/522169745.db2.gz BRAOHRPBPCTRRV-NXEZZACHSA-N 0 3 281.425 2.354 10 0 CEAEHN COc1cc(C)ccc1OCc1cccnc1CN ZINC000061657300 522281239 /nfs/dbraw/zinc/28/12/39/522281239.db2.gz LLHYDHZDPQPNED-UHFFFAOYSA-N 0 3 258.321 2.436 10 0 CEAEHN CN[C@@H](C)c1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904540 522338322 /nfs/dbraw/zinc/33/83/22/522338322.db2.gz VQPDJZDWEYZDBH-VIFPVBQESA-N 0 3 255.387 2.039 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1ccccc1F)C(F)(F)F ZINC000062784533 522346506 /nfs/dbraw/zinc/34/65/06/522346506.db2.gz MIYOLCUYLFSFKS-VHSXEESVSA-N 0 3 251.223 2.313 10 0 CEAEHN CCc1nc(N2CCOC[C@@H]2C)sc1CNC1CC1 ZINC000054997356 522388220 /nfs/dbraw/zinc/38/82/20/522388220.db2.gz NRGMJLRKJXGAHR-JTQLQIEISA-N 0 3 281.425 2.183 10 0 CEAEHN CN[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000049647253 522395239 /nfs/dbraw/zinc/39/52/39/522395239.db2.gz VSCGHTQSWFOEID-LLVKDONJSA-N 0 3 272.270 2.026 10 0 CEAEHN CC[C@@H](C)c1ccccc1OCC[C@@H](NC)C(N)=O ZINC000062551083 522436531 /nfs/dbraw/zinc/43/65/31/522436531.db2.gz RNASOCXZEGKPHM-DGCLKSJQSA-N 0 3 264.369 2.042 10 0 CEAEHN CN[C@H](C)c1cnc(N(C)[C@@H]2CCSC2)s1 ZINC000054903026 522453348 /nfs/dbraw/zinc/45/33/48/522453348.db2.gz YOOPYDMQBHUDAG-RKDXNWHRSA-N 0 3 257.428 2.365 10 0 CEAEHN CN[C@H](Cn1nc(C)ccc1=O)c1ccc(C)cc1C ZINC000061810236 522478528 /nfs/dbraw/zinc/47/85/28/522478528.db2.gz DOZYGJAKGUIOPI-OAHLLOKOSA-N 0 3 271.364 2.129 10 0 CEAEHN CN[C@](COc1ccccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197799 522530086 /nfs/dbraw/zinc/53/00/86/522530086.db2.gz LKONBAVEFQRIJX-INIZCTEOSA-N 0 3 276.380 2.042 10 0 CEAEHN CNc1cc(CN2CCN(C3CCCC3)CC2)ccn1 ZINC000052731898 522564432 /nfs/dbraw/zinc/56/44/32/522564432.db2.gz IFTIYDSZFXOUOB-UHFFFAOYSA-N 0 3 274.412 2.184 10 0 CEAEHN CC[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069143102 522713881 /nfs/dbraw/zinc/71/38/81/522713881.db2.gz RSLNJTSWMFKNQP-OCCSQVGLSA-N 0 3 283.393 2.010 10 0 CEAEHN COc1cc(OC)cc(O[C@@H](CN)c2cccnc2)c1 ZINC000068793677 522873751 /nfs/dbraw/zinc/87/37/51/522873751.db2.gz LPPXQMZQYJZGIX-HNNXBMFYSA-N 0 3 274.320 2.178 10 0 CEAEHN COc1cc(OC)cc(O[C@@H](CN)c2ccccn2)c1 ZINC000068793582 522874544 /nfs/dbraw/zinc/87/45/44/522874544.db2.gz QDGQXDDJCQIIOH-HNNXBMFYSA-N 0 3 274.320 2.178 10 0 CEAEHN COCCCN(C)c1cccc(CNC(C)(C)C)n1 ZINC000062035932 523235057 /nfs/dbraw/zinc/23/50/57/523235057.db2.gz SCPFCTDCKMCCRN-UHFFFAOYSA-N 0 3 265.401 2.442 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1Cc1cc(CN)c(C)o1 ZINC000052570958 523351115 /nfs/dbraw/zinc/35/11/15/523351115.db2.gz WEAPWMZFXXWEQD-MFKMUULPSA-N 0 3 252.358 2.046 10 0 CEAEHN COCCCNC(=O)[C@H](C)N[C@H]1CCCc2sccc21 ZINC000061362448 523358224 /nfs/dbraw/zinc/35/82/24/523358224.db2.gz LYCCRWMMNHDYIA-AAEUAGOBSA-N 0 3 296.436 2.256 10 0 CEAEHN CN(Cc1ccco1)Cc1nc(NN)ccc1Cl ZINC000061630927 523437129 /nfs/dbraw/zinc/43/71/29/523437129.db2.gz DBWZLPRZLMXPCE-UHFFFAOYSA-N 0 3 266.732 2.246 10 0 CEAEHN CN(Cc1ccnc(CN)c1)Cc1ccccc1F ZINC000068749598 523453544 /nfs/dbraw/zinc/45/35/44/523453544.db2.gz SHBCDQLLLDYNNK-UHFFFAOYSA-N 0 3 259.328 2.311 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc(F)c(C)c2)CCO1 ZINC000050546062 523467507 /nfs/dbraw/zinc/46/75/07/523467507.db2.gz CQNYEZXJMYKSCC-HIFRSBDPSA-N 0 3 266.360 2.245 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1c1ncc(CNC2CC2)s1 ZINC000054908790 523519707 /nfs/dbraw/zinc/51/97/07/523519707.db2.gz SAOARFNSVFGNEU-ZYHUDNBSSA-N 0 3 281.425 2.399 10 0 CEAEHN COCCN(C)Cc1cc(C)c(CNCC(C)C)o1 ZINC000052572997 523619889 /nfs/dbraw/zinc/61/98/89/523619889.db2.gz NPSPPRDNBNBLHW-UHFFFAOYSA-N 0 3 268.401 2.412 10 0 CEAEHN CN(c1nc(C(C)(C)C)c(CO)s1)[C@H]1CCCN(C)C1 ZINC000055003691 523661530 /nfs/dbraw/zinc/66/15/30/523661530.db2.gz NKRUPPQNFHMCOR-NSHDSACASA-N 0 3 297.468 2.463 10 0 CEAEHN CN(c1nc2c(s1)[C@@H](N)CCC2)C1CCOCC1 ZINC000054895985 523664847 /nfs/dbraw/zinc/66/48/47/523664847.db2.gz VBDCLPDIKXYTDH-JTQLQIEISA-N 0 3 267.398 2.094 10 0 CEAEHN COCCN(Cc1cc(CNC(C)C)co1)[C@H](C)COC ZINC000052572393 523740581 /nfs/dbraw/zinc/74/05/81/523740581.db2.gz HHDLVKOTYONLGC-CQSZACIVSA-N 0 3 298.427 2.261 10 0 CEAEHN COc1ccc(C)cc1C(=O)Nc1ccc(CN)cn1 ZINC000052943313 523802528 /nfs/dbraw/zinc/80/25/28/523802528.db2.gz ITZNHHBUXRBFFH-UHFFFAOYSA-N 0 3 271.320 2.110 10 0 CEAEHN CC[C@H](C)CN[C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000054469775 523886420 /nfs/dbraw/zinc/88/64/20/523886420.db2.gz VJLJIXXQNAJOQJ-JSGCOSHPSA-N 0 3 280.412 2.472 10 0 CEAEHN CCc1ccc(C(=O)Nc2ccc(CN)cn2)cc1 ZINC000051952731 523896712 /nfs/dbraw/zinc/89/67/12/523896712.db2.gz ZHTVZELNZAGJHE-UHFFFAOYSA-N 0 3 255.321 2.355 10 0 CEAEHN COCCNCc1cc(F)ccc1N1CC[C@@H](C)C1 ZINC000062736641 523950509 /nfs/dbraw/zinc/95/05/09/523950509.db2.gz JNFHZPGQUPMGAT-GFCCVEGCSA-N 0 3 266.360 2.408 10 0 CEAEHN COCCNCc1ccnc(-c2ccc(F)cc2)n1 ZINC000054792584 523956164 /nfs/dbraw/zinc/95/61/64/523956164.db2.gz PYJJRMFKCGURPH-UHFFFAOYSA-N 0 3 261.300 2.019 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2ccc(OC)c(N)c2)CC1 ZINC000055063396 523957251 /nfs/dbraw/zinc/95/72/51/523957251.db2.gz ZWCWPMWYOFDPCZ-ZDUSSCGKSA-N 0 3 277.412 2.194 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2ccc(N)c(C)c2)CC1 ZINC000055083463 523957333 /nfs/dbraw/zinc/95/73/33/523957333.db2.gz CJXYCPQJFMOBEV-AWEZNQCLSA-N 0 3 261.413 2.493 10 0 CEAEHN COCCNCc1nc2c([nH]1)-c1ccccc1CCC2 ZINC000069236680 523957433 /nfs/dbraw/zinc/95/74/33/523957433.db2.gz ALCFQEUDNBATMQ-UHFFFAOYSA-N 0 3 271.364 2.301 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H](CN)c2c(F)cccc2F)CC1 ZINC000055064849 523958234 /nfs/dbraw/zinc/95/82/34/523958234.db2.gz DPMUELFPSOFLGP-WFASDCNBSA-N 0 3 297.393 2.381 10 0 CEAEHN CCc1ccc([C@H]2[C@H](N)CCCC(=O)N2C)s1 ZINC000070292134 524056772 /nfs/dbraw/zinc/05/67/72/524056772.db2.gz GLOXIDBGRONSEL-ZWNOBZJWSA-N 0 3 252.383 2.321 10 0 CEAEHN COc1ccc(Cl)cc1[C@]([O-])(C[NH3+])C(F)(F)F ZINC000062784392 524255735 /nfs/dbraw/zinc/25/57/35/524255735.db2.gz XOFLPRPCOWUOHH-SECBINFHSA-N 0 3 269.650 2.057 10 0 CEAEHN COc1ccc(Cl)cc1[C@](O)(CN)C(F)(F)F ZINC000062784392 524255743 /nfs/dbraw/zinc/25/57/43/524255743.db2.gz XOFLPRPCOWUOHH-SECBINFHSA-N 0 3 269.650 2.057 10 0 CEAEHN C[C@@H](C(=O)c1ccccc1)N1CCC[C@@H]1CN(C)C ZINC000061642562 524306860 /nfs/dbraw/zinc/30/68/60/524306860.db2.gz GKBDOLDSXAZLQT-DZGCQCFKSA-N 0 3 260.381 2.284 10 0 CEAEHN Cc1cccc(C2CC(N[C@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000069141652 524335790 /nfs/dbraw/zinc/33/57/90/524335790.db2.gz QAXBYIVQTOCJSC-PCKAHOCUSA-N 0 3 293.432 2.408 10 0 CEAEHN C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2CN)C[C@@H]1C ZINC000068583044 524370284 /nfs/dbraw/zinc/37/02/84/524370284.db2.gz VHXHFCUCOPBEOL-SGMGOOAPSA-N 0 3 296.436 2.248 10 0 CEAEHN Cc1ccc(CN(C)Cc2cccnc2C(=N)N)cc1 ZINC000061657875 524394026 /nfs/dbraw/zinc/39/40/26/524394026.db2.gz UMLOMMIKLUQTPS-UHFFFAOYSA-N 0 3 268.364 2.306 10 0 CEAEHN Cc1cccc(N(C)C[C@@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069231394 524520091 /nfs/dbraw/zinc/52/00/91/524520091.db2.gz TZKRFLQNMZCRAL-KRWDZBQOSA-N 0 3 289.423 2.063 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@H+](C)CC1CCCC1 ZINC000068646975 524631501 /nfs/dbraw/zinc/63/15/01/524631501.db2.gz XIZOQHBEXLMYRX-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@@H+](C)CC1CCCC1 ZINC000068646975 524631509 /nfs/dbraw/zinc/63/15/09/524631509.db2.gz XIZOQHBEXLMYRX-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H]1CN(Cc2csc(CNC(C)(C)C)n2)CCO1 ZINC000052382214 524644986 /nfs/dbraw/zinc/64/49/86/524644986.db2.gz MVHLJDDCCMYTJS-NSHDSACASA-N 0 3 283.441 2.252 10 0 CEAEHN Cc1cccc(NC(=O)[C@@H](CN)c2ccccc2)n1 ZINC000061611005 524647188 /nfs/dbraw/zinc/64/71/88/524647188.db2.gz BZOBMYJDVBRMQO-ZDUSSCGKSA-N 0 3 255.321 2.071 10 0 CEAEHN Cc1cc(CN)nc(C2(c3ccccc3)CCOCC2)n1 ZINC000062784130 524670427 /nfs/dbraw/zinc/67/04/27/524670427.db2.gz LWAAMDSSKXKZKP-UHFFFAOYSA-N 0 3 283.375 2.340 10 0 CEAEHN Cc1ccc(F)c([N-]S(=O)(=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000049630957 524826708 /nfs/dbraw/zinc/82/67/08/524826708.db2.gz RKDXTJQYOJSPMC-LLVKDONJSA-N 0 3 286.372 2.018 10 0 CEAEHN C[C@@H]([NH3+])[C@]([O-])(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784728 525023393 /nfs/dbraw/zinc/02/33/93/525023393.db2.gz ZZZKXTFESXLJRO-ANLVUFKYSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H](N)c1cnc(N2C[C@@H](C)OC(C)(C)C2)s1 ZINC000054897651 525032299 /nfs/dbraw/zinc/03/22/99/525032299.db2.gz YCWLPSGICQIMRR-RKDXNWHRSA-N 0 3 255.387 2.167 10 0 CEAEHN C[C@@H]1CN(c2nc(C3CC3)c(CN)s2)CC(C)(C)O1 ZINC000069181043 525071861 /nfs/dbraw/zinc/07/18/61/525071861.db2.gz DVOHQEUFYGGAGQ-SECBINFHSA-N 0 3 281.425 2.483 10 0 CEAEHN COc1ccc([C@@H](C)CN2CCO[C@H](CN(C)C)C2)cc1 ZINC000183399612 525125450 /nfs/dbraw/zinc/12/54/50/525125450.db2.gz BAMSMBCUNKWGRD-WMLDXEAASA-N 0 3 292.423 2.061 10 0 CEAEHN Cc1ccccc1CSC[C@H](NC(C)C)C(N)=O ZINC000054964766 525183515 /nfs/dbraw/zinc/18/35/15/525183515.db2.gz KDOCAZHCAYUTJI-ZDUSSCGKSA-N 0 3 266.410 2.080 10 0 CEAEHN C[C@](O)(COc1ccccc1CN)c1ccccc1 ZINC000052096834 525184268 /nfs/dbraw/zinc/18/42/68/525184268.db2.gz CKSAAOVFZUJOQK-INIZCTEOSA-N 0 3 257.333 2.432 10 0 CEAEHN Cc1ccc(NC(=O)[C@@H](C)N[C@@H]2CN3CCC2CC3)cc1 ZINC000070205131 525192909 /nfs/dbraw/zinc/19/29/09/525192909.db2.gz VAIFSIOZSGJSQS-CZUORRHYSA-N 0 3 287.407 2.006 10 0 CEAEHN Cc1cc(Sc2nc3c(cc2CN)CCC3)n(C)n1 ZINC000052310454 525442594 /nfs/dbraw/zinc/44/25/94/525442594.db2.gz DNFYVWYCCOMVQI-UHFFFAOYSA-N 0 3 274.393 2.222 10 0 CEAEHN CSC[C@H](C)CNCc1cnc2cc(C)nn2c1 ZINC000069440113 525682350 /nfs/dbraw/zinc/68/23/50/525682350.db2.gz KHJDIKOWUVDLOS-SNVBAGLBSA-N 0 3 264.398 2.126 10 0 CEAEHN Cc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1C ZINC000062669966 525735293 /nfs/dbraw/zinc/73/52/93/525735293.db2.gz SWEOEJCFTRGASG-UHFFFAOYSA-N 0 3 256.353 2.103 10 0 CEAEHN Cc1ccc([C@@H](C)NS(=O)(=O)C[C@H]2CCCCN2)cc1 ZINC000049631550 525739284 /nfs/dbraw/zinc/73/92/84/525739284.db2.gz XPLOBVZXYKUSRG-UKRRQHHQSA-N 0 3 296.436 2.118 10 0 CEAEHN C[C@H](O)c1ccccc1NC(=O)[C@@H](CN)c1ccccc1 ZINC000061612918 525860204 /nfs/dbraw/zinc/86/02/04/525860204.db2.gz PPCMMHGMDMXCGK-WFASDCNBSA-N 0 3 284.359 2.421 10 0 CEAEHN Fc1ccc(COC2CNC2)c(Br)c1 ZINC000062809888 526342045 /nfs/dbraw/zinc/34/20/45/526342045.db2.gz PBCZBBROGHCGJH-UHFFFAOYSA-N 0 3 260.106 2.077 10 0 CEAEHN c1cc(CN2CCO[C@H]3CCC[C@@H]32)c(CNC2CC2)o1 ZINC000052540223 526424278 /nfs/dbraw/zinc/42/42/78/526424278.db2.gz LZQAOHDPZAJZLI-GJZGRUSLSA-N 0 3 276.380 2.285 10 0 CEAEHN Cc1oc(CN)cc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000052543528 526771264 /nfs/dbraw/zinc/77/12/64/526771264.db2.gz LSGDGPHNNRJBLV-SNVBAGLBSA-N 0 3 252.358 2.046 10 0 CEAEHN Cc1oc(COc2cccc(S(C)(=O)=O)c2)cc1CN ZINC000052701529 526776575 /nfs/dbraw/zinc/77/65/75/526776575.db2.gz ZGNSIANZPPMUAP-UHFFFAOYSA-N 0 3 295.360 2.029 10 0 CEAEHN N=C(N)c1cc(COCc2ccccc2F)ccn1 ZINC000069284576 526819240 /nfs/dbraw/zinc/81/92/40/526819240.db2.gz BBOZMBYPSXYENW-UHFFFAOYSA-N 0 3 259.284 2.222 10 0 CEAEHN Cc1nc(N(C)C[C@@H]2CCCCO2)sc1[C@@H](C)N ZINC000054896703 526949830 /nfs/dbraw/zinc/94/98/30/526949830.db2.gz ZRUUVPGPQWCSJH-KOLCDFICSA-N 0 3 269.414 2.477 10 0 CEAEHN NC(=S)C[C@H](c1ccccc1)N1CCSCC1 ZINC000055024551 527109217 /nfs/dbraw/zinc/10/92/17/527109217.db2.gz KAHJIFZLEPSRCZ-GFCCVEGCSA-N 0 3 266.435 2.453 10 0 CEAEHN NCc1cc(CN(Cc2ccco2)C2CC2)ccn1 ZINC000068750274 527246717 /nfs/dbraw/zinc/24/67/17/527246717.db2.gz LLQFYGYZJNMNTP-UHFFFAOYSA-N 0 3 257.337 2.298 10 0 CEAEHN NCc1cc(Cl)ccc1OC[C@H](O)C(F)(F)F ZINC000068875780 527248553 /nfs/dbraw/zinc/24/85/53/527248553.db2.gz PYSVCDOLXJBRAX-VIFPVBQESA-N 0 3 269.650 2.101 10 0 CEAEHN NCc1cn(CCOc2cc(Cl)cc(Cl)c2)nn1 ZINC000052701113 527263011 /nfs/dbraw/zinc/26/30/11/527263011.db2.gz FNETVIIDXWFIHQ-UHFFFAOYSA-N 0 3 287.150 2.123 10 0 CEAEHN NCc1ncccc1Cn1ccnc1-c1ccccc1 ZINC000061657094 527266944 /nfs/dbraw/zinc/26/69/44/527266944.db2.gz UUUCFLZJIIHHAW-UHFFFAOYSA-N 0 3 264.332 2.452 10 0 CEAEHN N[C@H](c1cc(Cl)ccc1Cl)[C@@H]1COCCO1 ZINC000055299135 527391577 /nfs/dbraw/zinc/39/15/77/527391577.db2.gz RCNUUOVCVIFMTP-WDEREUQCSA-N 0 3 262.136 2.409 10 0 CEAEHN Nc1c(Cl)ncnc1NCCN1CCCCCC1 ZINC000062363100 527432614 /nfs/dbraw/zinc/43/26/14/527432614.db2.gz JPXXBOVSPFYEEY-UHFFFAOYSA-N 0 3 269.780 2.000 10 0 CEAEHN Nc1nc2ccc(F)c(F)c2n1C1CCC(O)CC1 ZINC000053169667 527561133 /nfs/dbraw/zinc/56/11/33/527561133.db2.gz QJMMZQOEMXPGCY-UHFFFAOYSA-N 0 3 267.279 2.373 10 0 CEAEHN Nc1ncccc1[C@@H](N)c1ccc2ncccc2c1 ZINC000070321434 527570957 /nfs/dbraw/zinc/57/09/57/527570957.db2.gz JAGXSZAWTQUXLL-AWEZNQCLSA-N 0 3 250.305 2.260 10 0 CEAEHN OC[C@@H]1CCCC[C@@H]1NCc1cncc(Br)c1 ZINC000183716197 527588728 /nfs/dbraw/zinc/58/87/28/527588728.db2.gz BGVCPNGJNJRQDA-AAEUAGOBSA-N 0 3 299.212 2.485 10 0 CEAEHN FC(F)(F)CCNC[C@@H]1CNc2ccccc2O1 ZINC000063101395 527665444 /nfs/dbraw/zinc/66/54/44/527665444.db2.gz YUMCREABKRXDCZ-SECBINFHSA-N 0 3 260.259 2.402 10 0 CEAEHN Cc1nn(C)c(N2CCCC2)c1CNCC(C)C ZINC000062734066 527676206 /nfs/dbraw/zinc/67/62/06/527676206.db2.gz WTSBEJLXSHXVTK-UHFFFAOYSA-N 0 3 250.390 2.074 10 0 CEAEHN CCN(Cc1ccccn1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000176440001 528845587 /nfs/dbraw/zinc/84/55/87/528845587.db2.gz WGCRCFYCGSZFSD-OAHLLOKOSA-N 0 3 290.411 2.097 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)c1nc(C2CC2)no1 ZINC000177700224 529070530 /nfs/dbraw/zinc/07/05/30/529070530.db2.gz PRQZYYBCNOEWDL-WCQYABFASA-N 0 3 278.400 2.424 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nc(C(C)C)no1 ZINC000175359982 529097642 /nfs/dbraw/zinc/09/76/42/529097642.db2.gz BIQMUGVHYSVKPV-LBPRGKRZSA-N 0 3 266.389 2.109 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1noc(C(C)(C)C)n1 ZINC000175353213 529099225 /nfs/dbraw/zinc/09/92/25/529099225.db2.gz DKZNDYGSFGWQFL-LBPRGKRZSA-N 0 3 280.416 2.283 10 0 CEAEHN CCO[C@@H](CCNC(=O)N[C@@H]1CCCN(CC)C1)C(C)C ZINC000174195374 535742979 /nfs/dbraw/zinc/74/29/79/535742979.db2.gz OCZOOIMNLGNPKV-CABCVRRESA-N 0 3 299.459 2.221 10 0 CEAEHN COCCOC[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000020262780 567847686 /nfs/dbraw/zinc/84/76/86/567847686.db2.gz CERRQKBEYJWXKP-NSHDSACASA-N 0 3 263.259 2.368 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2ccc(Cl)nc2C)C1 ZINC000178535660 624404858 /nfs/dbraw/zinc/40/48/58/624404858.db2.gz ONFDKHPMEDNNMK-LLVKDONJSA-N 0 3 281.787 2.258 10 0 CEAEHN CCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000236848240 628927566 /nfs/dbraw/zinc/92/75/66/628927566.db2.gz SHZXHVQVGJOKFL-ZDUSSCGKSA-N 0 3 282.334 2.240 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000236980209 629143955 /nfs/dbraw/zinc/14/39/55/629143955.db2.gz JYKMFLUNGOCXIY-PELKAZGASA-N 0 3 278.381 2.450 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000237005657 629148633 /nfs/dbraw/zinc/14/86/33/629148633.db2.gz XAWGMARDWJFXDU-QMTHXVAHSA-N 0 3 291.395 2.009 10 0 CEAEHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)n2ccnc2)C1 ZINC000323628328 633406501 /nfs/dbraw/zinc/40/65/01/633406501.db2.gz PIYHVPIUZFBQQZ-OAHLLOKOSA-N 0 3 298.390 2.305 10 0 CEAEHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)n2ccnc2)C1 ZINC000323628327 633407346 /nfs/dbraw/zinc/40/73/46/633407346.db2.gz PIYHVPIUZFBQQZ-HNNXBMFYSA-N 0 3 298.390 2.305 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(Cc2ccccc2)OC)C1 ZINC000184249716 641846448 /nfs/dbraw/zinc/84/64/48/641846448.db2.gz BIQZXTIEKOWGBE-OAHLLOKOSA-N 0 3 291.395 2.244 10 0 CEAEHN CCCCCCOCC(=O)N[C@H]1CCCN(CC)C1 ZINC000107595897 641992663 /nfs/dbraw/zinc/99/26/63/641992663.db2.gz AQOKGLZSOZTFNH-AWEZNQCLSA-N 0 3 270.417 2.184 10 0 CEAEHN NCc1ccc(I)cc1OC1CC1 ZINC000095737973 185023812 /nfs/dbraw/zinc/02/38/12/185023812.db2.gz FBZRXGKRFGLEKW-UHFFFAOYSA-N 0 3 289.116 2.291 10 0 CEAEHN [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1cc([O-])cc(F)c1 ZINC000095792718 185027827 /nfs/dbraw/zinc/02/78/27/185027827.db2.gz TXIKOZLIPPFWSH-LSDHHAIUSA-N 0 3 261.296 2.135 10 0 CEAEHN CC[C@@H](O)CN1CCN(CCCC2CCCC2)CC1 ZINC000121231457 365539205 /nfs/dbraw/zinc/53/92/05/365539205.db2.gz QACHBEZRXAAYNU-MRXNPFEDSA-N 0 3 268.445 2.345 10 0 CEAEHN Cc1nc([C@H]2CCCOC2)nc(NN)c1C(C)C ZINC000082581006 178120206 /nfs/dbraw/zinc/12/02/06/178120206.db2.gz GWSSKINOAOICRO-JTQLQIEISA-N 0 3 250.346 2.088 10 0 CEAEHN NC(=O)c1ccc(O[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000095932513 185032297 /nfs/dbraw/zinc/03/22/97/185032297.db2.gz KLHHCQNXFYICOB-KRWDZBQOSA-N 0 3 296.370 2.439 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCCCSC)C1 ZINC000121462559 365572218 /nfs/dbraw/zinc/57/22/18/365572218.db2.gz WYAYWPCRMPMKHN-GFCCVEGCSA-N 0 3 258.431 2.120 10 0 CEAEHN CNc1c(Cl)ncnc1N[C@H]1CN(C(C)C)C[C@H]1C ZINC000125067714 187168492 /nfs/dbraw/zinc/16/84/92/187168492.db2.gz ZKBIECMTULOLOU-ZJUUUORDSA-N 0 3 283.807 2.312 10 0 CEAEHN COc1ccc(-c2n[nH]c3c2CN(C)CC3)cc1OC ZINC000082807689 178310333 /nfs/dbraw/zinc/31/03/33/178310333.db2.gz MQHVVNZTZQOSIK-UHFFFAOYSA-N 0 3 273.336 2.082 10 0 CEAEHN CC[C@H](O)CN(CCCOC)Cc1ccccc1F ZINC000036096274 361827336 /nfs/dbraw/zinc/82/73/36/361827336.db2.gz SBNONHQECWJKNC-AWEZNQCLSA-N 0 3 269.360 2.435 10 0 CEAEHN CC[C@H](N)C(=O)Nc1ccccc1Br ZINC000036871316 361866160 /nfs/dbraw/zinc/86/61/60/361866160.db2.gz KFDKYLNZYDCEJN-QMMMGPOBSA-N 0 3 257.131 2.125 10 0 CEAEHN Cc1ccc2c(c1Br)NC[C@@]21C[C@@H]1N ZINC000725246985 539191973 /nfs/dbraw/zinc/19/19/73/539191973.db2.gz CMFVQWWCTGCQRN-KWQFWETISA-N 0 3 253.143 2.152 10 0 CEAEHN N[C@@H]1C[C@@]12CNc1c2cc(Br)cc1Cl ZINC000725247493 539192647 /nfs/dbraw/zinc/19/26/47/539192647.db2.gz OJVUEEFXZFAXMS-SCZZXKLOSA-N 0 3 273.561 2.497 10 0 CEAEHN Cc1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc(Cl)n1 ZINC000125838761 187202289 /nfs/dbraw/zinc/20/22/89/187202289.db2.gz DJWANJLGOPHLQH-WCQYABFASA-N 0 3 293.798 2.352 10 0 CEAEHN CO[C@@H]1CN(C/C(C)=C\c2ccccc2)C[C@H]1c1c[nH]nn1 ZINC000668576567 539202740 /nfs/dbraw/zinc/20/27/40/539202740.db2.gz NIKNPOGRSFGFCW-LOSYYMKXSA-N 0 3 298.390 2.322 10 0 CEAEHN Brc1ccc(CN[C@H]2COC[C@H]2C2CC2)cn1 ZINC000725269668 539215103 /nfs/dbraw/zinc/21/51/03/539215103.db2.gz PEMYBKQZJTYZKH-RYUDHWBXSA-N 0 3 297.196 2.359 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC000092052358 539229472 /nfs/dbraw/zinc/22/94/72/539229472.db2.gz OSOZJJNYHYOWBG-STQMWFEESA-N 0 3 268.426 2.428 10 0 CEAEHN CCCCOC[C@H](O)CN1CC[C@@H](C(F)(F)F)C1 ZINC000310663504 539279050 /nfs/dbraw/zinc/27/90/50/539279050.db2.gz KMMRJUACMDZSOG-GHMZBOCLSA-N 0 3 269.307 2.048 10 0 CEAEHN COc1cc([C@H](N)CO)ccc1OCc1ccccc1 ZINC000041409545 362033991 /nfs/dbraw/zinc/03/39/91/362033991.db2.gz CNPCDJGSLHUZQL-CQSZACIVSA-N 0 3 273.332 2.266 10 0 CEAEHN C[C@@H](NC(=O)C(C)(C)N)c1ccccc1Br ZINC000040921432 362009405 /nfs/dbraw/zinc/00/94/05/362009405.db2.gz OXRGROPUZXZIMR-MRVPVSSYSA-N 0 3 285.185 2.364 10 0 CEAEHN COc1cccc(CNC[C@H](O)C(C)(C)C)c1F ZINC000324638385 539303126 /nfs/dbraw/zinc/30/31/26/539303126.db2.gz WLKKYDMFMXBUMO-LBPRGKRZSA-N 0 3 255.333 2.331 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2cccc3c2OCCCO3)C1 ZINC000037164078 343426171 /nfs/dbraw/zinc/42/61/71/343426171.db2.gz FOVGOKPPPYJCKW-UONOGXRCSA-N 0 3 277.364 2.241 10 0 CEAEHN COCCC1(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCC1 ZINC000127369467 365742312 /nfs/dbraw/zinc/74/23/12/365742312.db2.gz PZPKJZNESUJLSW-KBPBESRZSA-N 0 3 282.428 2.038 10 0 CEAEHN CCC[C@H](N)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000037801402 343430985 /nfs/dbraw/zinc/43/09/85/343430985.db2.gz XLABUUIRCXJGGJ-JSGCOSHPSA-N 0 3 296.436 2.383 10 0 CEAEHN COCn1ncc([C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000038528039 343434327 /nfs/dbraw/zinc/43/43/27/343434327.db2.gz KRUXUUIOLPQBNH-OAHLLOKOSA-N 0 3 286.379 2.262 10 0 CEAEHN COCn1ncc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000038528040 343434411 /nfs/dbraw/zinc/43/44/11/343434411.db2.gz KRUXUUIOLPQBNH-HNNXBMFYSA-N 0 3 286.379 2.262 10 0 CEAEHN CCOCCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000047676579 362221326 /nfs/dbraw/zinc/22/13/26/362221326.db2.gz PIOBLNDHRFTCEK-OAHLLOKOSA-N 0 3 293.411 2.015 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)CCSC)C1 ZINC000152429959 344425806 /nfs/dbraw/zinc/42/58/06/344425806.db2.gz RHVRDNZCSHHQFJ-STQMWFEESA-N 0 3 287.473 2.254 10 0 CEAEHN Cc1c(Cl)cccc1OCC(=O)N1CC[C@H](N(C)C)C1 ZINC000134795617 344376812 /nfs/dbraw/zinc/37/68/12/344376812.db2.gz XPRBYPYROVJDPF-LBPRGKRZSA-N 0 3 296.798 2.190 10 0 CEAEHN CCOC(=O)[C@]1(OCC)CCN(Cc2ccccc2)C1 ZINC000145030672 344408772 /nfs/dbraw/zinc/40/87/72/344408772.db2.gz OHYBFZDDIVHMKG-INIZCTEOSA-N 0 3 277.364 2.231 10 0 CEAEHN NC[C@@H](F)Cc1ccc(F)c(Br)c1 ZINC000158054556 344449528 /nfs/dbraw/zinc/44/95/28/344449528.db2.gz BVAZGPATPNBMPL-ZETCQYMHSA-N 0 3 250.086 2.428 10 0 CEAEHN Cc1ccccc1OCCN(C)C[C@H](O)COC(C)(C)C ZINC000052816306 362475629 /nfs/dbraw/zinc/47/56/29/362475629.db2.gz NIMZIBUOMZYWEH-HNNXBMFYSA-N 0 3 295.423 2.482 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000248502544 344623318 /nfs/dbraw/zinc/62/33/18/344623318.db2.gz ZNXGNRVVFZBMQU-GHMZBOCLSA-N 0 3 283.334 2.437 10 0 CEAEHN C[C@H]([C@H](N)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000307144012 344720475 /nfs/dbraw/zinc/72/04/75/344720475.db2.gz LKTXRDJQQSLQOD-ABAIWWIYSA-N 0 3 280.327 2.371 10 0 CEAEHN Cc1cc([C@H]2COCC(N)=N2)sc1Br ZINC000306826006 344717732 /nfs/dbraw/zinc/71/77/32/344717732.db2.gz ZAQTUKSTTLGTJN-ZCFIWIBFSA-N 0 3 275.171 2.248 10 0 CEAEHN O=[S@@](c1cc(Cl)cc(Cl)c1)C1CNC1 ZINC000306826212 344717857 /nfs/dbraw/zinc/71/78/57/344717857.db2.gz ZEDQTKGPXJHKCR-AWEZNQCLSA-N 0 3 250.150 2.073 10 0 CEAEHN Cc1noc(C)c1CN(C)C[C@@H]1CCc2nccn2C1 ZINC000328655397 344758231 /nfs/dbraw/zinc/75/82/31/344758231.db2.gz YIGHGHJZSGATEC-ZDUSSCGKSA-N 0 3 274.368 2.182 10 0 CEAEHN Cc1ncsc1CN(C)C[C@@H]1CCc2nccn2C1 ZINC000328625698 344756632 /nfs/dbraw/zinc/75/66/32/344756632.db2.gz DKXNAGJSUHGHBZ-LBPRGKRZSA-N 0 3 276.409 2.342 10 0 CEAEHN COC(=O)c1csc(CNC[C@H]2CCCC[C@H]2O)c1 ZINC000602553017 347073915 /nfs/dbraw/zinc/07/39/15/347073915.db2.gz RKZGXVTUVJUOAR-ZWNOBZJWSA-N 0 3 283.393 2.175 10 0 CEAEHN CCOC(=O)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1=O ZINC000396930739 344849847 /nfs/dbraw/zinc/84/98/47/344849847.db2.gz PBLJRPPLECJZPR-AWEZNQCLSA-N 0 3 289.375 2.419 10 0 CEAEHN COC(=O)[C@@H]1CCCCN1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403071867 344874273 /nfs/dbraw/zinc/87/42/73/344874273.db2.gz GNDDCULLRNKDEF-MQYQWHSLSA-N 0 3 251.370 2.450 10 0 CEAEHN CCN[C@H]1c2ccc(OC)cc2CC[C@H]1[S@](C)=O ZINC000084047572 178778527 /nfs/dbraw/zinc/77/85/27/178778527.db2.gz HTMBNSXHMXYEFO-QWQRMKEZSA-N 0 3 267.394 2.039 10 0 CEAEHN CCOc1ccc([C@@H](O)[C@H](C)N2CCCN(C)CC2)cc1 ZINC000584617103 344965681 /nfs/dbraw/zinc/96/56/81/344965681.db2.gz IAUOVIZMDZJGOS-YOEHRIQHSA-N 0 3 292.423 2.145 10 0 CEAEHN CCCCCN1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000584639974 344972066 /nfs/dbraw/zinc/97/20/66/344972066.db2.gz ABYDLGQANHIICG-ZDUSSCGKSA-N 0 3 253.390 2.008 10 0 CEAEHN CC(C)c1ccc([C@@H](O)CN[C@H]2CCC(=O)N(C)C2)cc1 ZINC000084087565 178784814 /nfs/dbraw/zinc/78/48/14/178784814.db2.gz UIFAHQWKXZFKAR-HOTGVXAUSA-N 0 3 290.407 2.054 10 0 CEAEHN Cc1ccc(C)c(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000128235005 187359502 /nfs/dbraw/zinc/35/95/02/187359502.db2.gz RVPCGFWWGVUIOG-MRXNPFEDSA-N 0 3 262.397 2.066 10 0 CEAEHN CN[C@H](C[C@@H](C)COC)c1c(OC)cnn1C(C)C ZINC000097450360 185608729 /nfs/dbraw/zinc/60/87/29/185608729.db2.gz PGVRLZVBGUDQNH-VXGBXAGGSA-N 0 3 269.389 2.406 10 0 CEAEHN COc1cccc([C@H](C)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000175645886 232315023 /nfs/dbraw/zinc/31/50/23/232315023.db2.gz IWZWRPRCVFVAOB-ZNMIVQPWSA-N 0 3 292.423 2.143 10 0 CEAEHN CCOc1ccc([C@@H](NN)[C@](C)(CC)N(C)C)cc1 ZINC000097582961 185630781 /nfs/dbraw/zinc/63/07/81/185630781.db2.gz XNILVJHFRZJNKW-CABCVRRESA-N 0 3 265.401 2.320 10 0 CEAEHN CCN[C@@](CO)(COCC(F)(F)F)c1ccccc1 ZINC000085282786 179000627 /nfs/dbraw/zinc/00/06/27/179000627.db2.gz BZJUXTNZTAZTEI-LBPRGKRZSA-N 0 3 277.286 2.063 10 0 CEAEHN CCCN[C@@H](CCO)c1ccc(OC)cc1OC ZINC000085320583 179014295 /nfs/dbraw/zinc/01/42/95/179014295.db2.gz ABXJGLHSYLOFIG-ZDUSSCGKSA-N 0 3 253.342 2.127 10 0 CEAEHN C[C@@H](NCCc1nnc[nH]1)c1cnc2ccsc2c1 ZINC000085434184 179061287 /nfs/dbraw/zinc/06/12/87/179061287.db2.gz WWBUFFNVQUEHNW-SECBINFHSA-N 0 3 273.365 2.308 10 0 CEAEHN CCN1CCC[C@@H](n2c3c(nc2C2CC2)CNCC3)C1 ZINC000085572796 179098355 /nfs/dbraw/zinc/09/83/55/179098355.db2.gz GZCBLEIYUUTNSS-CYBMUJFWSA-N 0 3 274.412 2.063 10 0 CEAEHN CCN1CCC[C@H](n2c3c(nc2C(C)(C)C)CNCC3)C1 ZINC000085572790 179098733 /nfs/dbraw/zinc/09/87/33/179098733.db2.gz SCRMBBQXFNQEJD-ZDUSSCGKSA-N 0 3 290.455 2.483 10 0 CEAEHN NCc1cncc(Oc2ccc(Br)cc2)n1 ZINC000085695083 179115696 /nfs/dbraw/zinc/11/56/96/179115696.db2.gz UPHTWMSMWDAEFT-UHFFFAOYSA-N 0 3 280.125 2.490 10 0 CEAEHN CN(C)c1ccncc1N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085632084 179108451 /nfs/dbraw/zinc/10/84/51/179108451.db2.gz FBFQGZZIBKNDMY-BPNCWPANSA-N 0 3 261.369 2.373 10 0 CEAEHN c1cncc(CCN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000178039181 542248836 /nfs/dbraw/zinc/24/88/36/542248836.db2.gz ZXHKPYHTKWWSSP-INIZCTEOSA-N 0 3 269.348 2.172 10 0 CEAEHN Cc1nc(NC(=O)[C@@H](N)C(C)C)ccc1Br ZINC000085729073 179132136 /nfs/dbraw/zinc/13/21/36/179132136.db2.gz AXVQDAFPIYMLQB-JTQLQIEISA-N 0 3 286.173 2.074 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@](C)(CC)c1nccs1 ZINC000236930127 370657227 /nfs/dbraw/zinc/65/72/27/370657227.db2.gz OMMPQGDUHSSAMU-JOYOIKCWSA-N 0 3 255.387 2.012 10 0 CEAEHN Cc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)o1 ZINC000128462440 187372435 /nfs/dbraw/zinc/37/24/35/187372435.db2.gz ZZDZEFLOWFKJJW-CYBMUJFWSA-N 0 3 260.341 2.092 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)C(C2CC2)C2CC2)C1 ZINC000065381667 362813809 /nfs/dbraw/zinc/81/38/09/362813809.db2.gz ITMXFKLYMZVBLJ-AWEZNQCLSA-N 0 3 279.428 2.301 10 0 CEAEHN Cc1cc([C@H](N)[C@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000086023053 179219102 /nfs/dbraw/zinc/21/91/02/179219102.db2.gz LWECSSASPYOUMF-GXFFZTMASA-N 0 3 287.812 2.391 10 0 CEAEHN CC[C@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H]1C ZINC000086094726 179229697 /nfs/dbraw/zinc/22/96/97/179229697.db2.gz ZQECPIFGWYDRLV-SHPPOPEUSA-N 0 3 290.407 2.203 10 0 CEAEHN Cc1cc(CN2CCN[C@@](C)(c3ccccc3)C2)on1 ZINC000086146364 179238268 /nfs/dbraw/zinc/23/82/68/179238268.db2.gz HLSTUTCJSYZOPH-MRXNPFEDSA-N 0 3 271.364 2.304 10 0 CEAEHN c1nc(CN2CCN[C@H](c3ccccc3)C2)cs1 ZINC000086149440 179240771 /nfs/dbraw/zinc/24/07/71/179240771.db2.gz QCMIRXNTOOPSAV-AWEZNQCLSA-N 0 3 259.378 2.290 10 0 CEAEHN CC(C)c1nc(N2CCSCC2)sc1CN ZINC000086277407 179263126 /nfs/dbraw/zinc/26/31/26/179263126.db2.gz DICBUQMUXZFZKT-UHFFFAOYSA-N 0 3 257.428 2.278 10 0 CEAEHN CNCc1ccccc1NC(=O)c1ccncc1F ZINC000086316720 179269634 /nfs/dbraw/zinc/26/96/34/179269634.db2.gz DRNKPELDAWENBR-UHFFFAOYSA-N 0 3 259.284 2.192 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)c1ccncc1F ZINC000086316828 179269743 /nfs/dbraw/zinc/26/97/43/179269743.db2.gz CCHDXASFDNWGOQ-UHFFFAOYSA-N 0 3 271.295 2.119 10 0 CEAEHN N[C@@H]1CCCc2sc(N3CCO[C@@H]4CCC[C@@H]43)nc21 ZINC000086443326 179293640 /nfs/dbraw/zinc/29/36/40/179293640.db2.gz ZSPHJMDQHKAZOJ-OUAUKWLOSA-N 0 3 279.409 2.237 10 0 CEAEHN CCN(CCOC)c1nc2c(s1)CCC[C@@H]2NC ZINC000086443705 179293907 /nfs/dbraw/zinc/29/39/07/179293907.db2.gz MQJNSTSIYWSESO-JTQLQIEISA-N 0 3 269.414 2.213 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(Cl)cn2)[C@@H](CC)CN1 ZINC000086446646 179294555 /nfs/dbraw/zinc/29/45/55/179294555.db2.gz MFCBFOYJUCFBGY-NEPJUHHUSA-N 0 3 281.787 2.338 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(OC)c2)[C@H](CC)CN1 ZINC000086447282 179295830 /nfs/dbraw/zinc/29/58/30/179295830.db2.gz IJIQFDGLZUODKP-ZIAGYGMSSA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(Cl)cn1 ZINC000086446648 179294973 /nfs/dbraw/zinc/29/49/73/179294973.db2.gz MFCBFOYJUCFBGY-NWDGAFQWSA-N 0 3 281.787 2.338 10 0 CEAEHN CN(CC1CCOCC1)c1nc2c(s1)CCC[C@@H]2N ZINC000086444214 179295029 /nfs/dbraw/zinc/29/50/29/179295029.db2.gz UNTMRZROTWICNB-NSHDSACASA-N 0 3 281.425 2.342 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccsc2)[C@H](CC)CN1 ZINC000086448211 179295522 /nfs/dbraw/zinc/29/55/22/179295522.db2.gz WRFZKKXPBJERCS-CHWSQXEVSA-N 0 3 266.410 2.280 10 0 CEAEHN Nc1ccc(Cl)cc1SC[C@@H]1CNCCO1 ZINC000086479815 179300270 /nfs/dbraw/zinc/30/02/70/179300270.db2.gz HBGKUTLKQOFGAR-VIFPVBQESA-N 0 3 258.774 2.003 10 0 CEAEHN C[C@H](N)c1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598543 179310995 /nfs/dbraw/zinc/31/09/95/179310995.db2.gz DPGFGPUHZNIOJG-BYPYZUCNSA-N 0 3 258.094 2.484 10 0 CEAEHN C[C@H](N)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000086598543 179310996 /nfs/dbraw/zinc/31/09/96/179310996.db2.gz DPGFGPUHZNIOJG-BYPYZUCNSA-N 0 3 258.094 2.484 10 0 CEAEHN COC[C@H](NCc1c(OC)nc2sccn12)C(C)C ZINC000086696359 179320945 /nfs/dbraw/zinc/32/09/45/179320945.db2.gz VISICIDXMPJNQZ-JTQLQIEISA-N 0 3 283.397 2.165 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@H]1N[C@@H]1CCc2ccccc2C1 ZINC000086675830 179318831 /nfs/dbraw/zinc/31/88/31/179318831.db2.gz PFZUYJJJAYLFRJ-BZUAXINKSA-N 0 3 293.432 2.099 10 0 CEAEHN CN(Cc1cnc(Cl)s1)C1CCN(C)CC1 ZINC000086776402 179329066 /nfs/dbraw/zinc/32/90/66/179329066.db2.gz OWICJAPZFYHROZ-UHFFFAOYSA-N 0 3 259.806 2.323 10 0 CEAEHN COC(=O)[C@]1(Nc2ccc(OC)cc2)CCCN(C)CC1 ZINC000086819798 179348195 /nfs/dbraw/zinc/34/81/95/179348195.db2.gz WUCUNHFRGXJTEG-INIZCTEOSA-N 0 3 292.379 2.135 10 0 CEAEHN CCN1CCC[C@@H](Nc2ccccc2S(C)(=O)=O)CC1 ZINC000086839221 179351840 /nfs/dbraw/zinc/35/18/40/179351840.db2.gz HFSUGQHRTLHFRF-CYBMUJFWSA-N 0 3 296.436 2.376 10 0 CEAEHN CCN[C@@]1(c2nccs2)CCCN(CC)CC1 ZINC000086851473 179359990 /nfs/dbraw/zinc/35/99/90/179359990.db2.gz WKUAASSJSXVSHB-ZDUSSCGKSA-N 0 3 253.415 2.454 10 0 CEAEHN CC1(C)CC[C@H](S(=O)(=O)c2cccs2)[C@@H]1N ZINC000086866843 179360273 /nfs/dbraw/zinc/36/02/73/179360273.db2.gz FEORCXQPLNJTQF-WPRPVWTQSA-N 0 3 259.396 2.038 10 0 CEAEHN CCN1CCC[C@@](O)(c2ccc(OC)cc2OC)CC1 ZINC000086852274 179359166 /nfs/dbraw/zinc/35/91/66/179359166.db2.gz LTRHSTZCXHAOKO-INIZCTEOSA-N 0 3 279.380 2.397 10 0 CEAEHN CCN1CCC[C@](NC)(c2nc(C)cs2)CC1 ZINC000086851388 179359284 /nfs/dbraw/zinc/35/92/84/179359284.db2.gz AEDPJNQWRJDSOB-CYBMUJFWSA-N 0 3 253.415 2.372 10 0 CEAEHN CCN1CCC[C@](O)(c2cc(OC)ccc2OC)CC1 ZINC000086852276 179359391 /nfs/dbraw/zinc/35/93/91/179359391.db2.gz PFCCIUJJJZEAPB-MRXNPFEDSA-N 0 3 279.380 2.397 10 0 CEAEHN CCN[C@@H](CCCS(=O)(=O)CC)c1ccco1 ZINC000086979402 179373329 /nfs/dbraw/zinc/37/33/29/179373329.db2.gz BQKLXDZBSCTVPJ-NSHDSACASA-N 0 3 259.371 2.145 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(C)C)CCC[C@@H](CC)CC1 ZINC000086915939 179367238 /nfs/dbraw/zinc/36/72/38/179367238.db2.gz VIAWLYLBTMGEQY-ZBFHGGJFSA-N 0 3 284.444 2.430 10 0 CEAEHN CCC[C@@H]1CCC[C@H](N(C)CC(=O)N2CCNCC2)CC1 ZINC000086950250 179368504 /nfs/dbraw/zinc/36/85/04/179368504.db2.gz BFLKKPKPJOWUPT-CVEARBPZSA-N 0 3 295.471 2.099 10 0 CEAEHN COCCCc1nc(C)cc(CNCC(C)C)n1 ZINC000086971494 179370459 /nfs/dbraw/zinc/37/04/59/179370459.db2.gz BOUWNWWSGTZCSQ-UHFFFAOYSA-N 0 3 251.374 2.110 10 0 CEAEHN CCS(=O)(=O)CCCOc1ccc(C)cc1[C@H](C)NC ZINC000086972894 179371650 /nfs/dbraw/zinc/37/16/50/179371650.db2.gz XLCSSJZLFJTWPR-ZDUSSCGKSA-N 0 3 299.436 2.479 10 0 CEAEHN Cc1cc([C@H](N)[C@H]2COCCO2)sc1Br ZINC000087019099 179381394 /nfs/dbraw/zinc/38/13/94/179381394.db2.gz PNSDEEJAXHEIHJ-VXNVDRBHSA-N 0 3 292.198 2.234 10 0 CEAEHN CCC(O)(CC)CNCC(=O)Nc1c(F)cccc1F ZINC000087028511 179381637 /nfs/dbraw/zinc/38/16/37/179381637.db2.gz SDMOLRVIHXRMJC-UHFFFAOYSA-N 0 3 286.322 2.044 10 0 CEAEHN CCC1CCC(O)(CN[C@@H](C)c2cnccn2)CC1 ZINC000087053497 179389342 /nfs/dbraw/zinc/38/93/42/179389342.db2.gz JNGRSBSDYPYOTI-OPFPJEHXSA-N 0 3 263.385 2.459 10 0 CEAEHN CC[C@@](C)([NH3+])C(=O)Nc1cc(Br)ccc1[O-] ZINC000087049231 179388557 /nfs/dbraw/zinc/38/85/57/179388557.db2.gz ZXLHYABYJZZJJG-LLVKDONJSA-N 0 3 287.157 2.221 10 0 CEAEHN C[C@H](NCC1(O)CCCCC1)C(=O)N1CCCCCC1 ZINC000087029197 179382419 /nfs/dbraw/zinc/38/24/19/179382419.db2.gz VUZUNHIUCDCOFW-AWEZNQCLSA-N 0 3 282.428 2.062 10 0 CEAEHN C[C@H](NC[C@@]1(O)CCC[C@@H](C)C1)C(=O)N1CCCCCC1 ZINC000087064995 179389890 /nfs/dbraw/zinc/38/98/90/179389890.db2.gz SOWJXVJTBQSNHC-HLLBOEOZSA-N 0 3 296.455 2.308 10 0 CEAEHN Cc1ccccc1NC(=O)CNC[C@]1(O)CCC[C@@H](C)C1 ZINC000087065623 179389965 /nfs/dbraw/zinc/38/99/65/179389965.db2.gz SUSFALXEEAFXAH-DYVFJYSZSA-N 0 3 290.407 2.464 10 0 CEAEHN C[C@@H](NCC1(O)CCC(C)(C)CC1)C(=O)NC(C)(C)C ZINC000087063704 179390042 /nfs/dbraw/zinc/39/00/42/179390042.db2.gz GMXRGKUYFFHXBJ-GFCCVEGCSA-N 0 3 284.444 2.211 10 0 CEAEHN C[C@H](NCC1(O)CCCCCC1)C(=O)NC1CCCC1 ZINC000087089199 179393766 /nfs/dbraw/zinc/39/37/66/179393766.db2.gz VLKGLDHDZSEFCS-ZDUSSCGKSA-N 0 3 282.428 2.109 10 0 CEAEHN c1ccc2c(c1)CNC[C@@H]2c1nc(-c2cccnc2)no1 ZINC000087611674 179454323 /nfs/dbraw/zinc/45/43/23/179454323.db2.gz NZLLGZIKEXLRJF-AWEZNQCLSA-N 0 3 278.315 2.367 10 0 CEAEHN c1ccc(CN2CCN[C@@H](c3ccncc3)C2)cc1 ZINC000616632870 348541318 /nfs/dbraw/zinc/54/13/18/348541318.db2.gz CMEAGHLUTKCSAX-MRXNPFEDSA-N 0 3 253.349 2.228 10 0 CEAEHN OCCc1ccccc1[C@H]1CNCCN1Cc1ccccc1 ZINC000616635502 348542382 /nfs/dbraw/zinc/54/23/82/348542382.db2.gz GVXPUBFMULIAQI-LJQANCHMSA-N 0 3 296.414 2.368 10 0 CEAEHN c1nnoc1[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000616650708 348548006 /nfs/dbraw/zinc/54/80/06/348548006.db2.gz DUAMKCLTUJHCSD-CQSZACIVSA-N 0 3 259.309 2.033 10 0 CEAEHN Nc1cc([C@@H]2CN(Cc3ccccc3)CCCO2)ccn1 ZINC000616651474 348548522 /nfs/dbraw/zinc/54/85/22/348548522.db2.gz AVEFLFJYMIAYNC-INIZCTEOSA-N 0 3 283.375 2.458 10 0 CEAEHN CCN1CCCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616653335 348549184 /nfs/dbraw/zinc/54/91/84/348549184.db2.gz MHVJTQYOYNZOHT-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(C)N1CCOCC[C@H]1c1ccccc1CCO ZINC000616597674 348529348 /nfs/dbraw/zinc/52/93/48/348529348.db2.gz HUUJGCZVTUWWBH-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN CC(C)(C)OC(=O)NCCN1CCC[C@H](F)CC1 ZINC000616600868 348531217 /nfs/dbraw/zinc/53/12/17/348531217.db2.gz MITBFEFWUYTBGL-NSHDSACASA-N 0 3 260.353 2.335 10 0 CEAEHN CCOC(=O)c1ccc(C2CCN(CCO)CC2)cc1 ZINC000616620380 348537292 /nfs/dbraw/zinc/53/72/92/348537292.db2.gz YJVRODWILIWQJP-UHFFFAOYSA-N 0 3 277.364 2.035 10 0 CEAEHN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1(N)CC1 ZINC000088130423 179553739 /nfs/dbraw/zinc/55/37/39/179553739.db2.gz SUWPUDQCLMCREP-SNVBAGLBSA-N 0 3 258.321 2.444 10 0 CEAEHN c1cc([C@H]2CCN(Cc3ccccc3)CCO2)n[nH]1 ZINC000616664015 348554419 /nfs/dbraw/zinc/55/44/19/348554419.db2.gz ZYCGHHFXIZQBND-OAHLLOKOSA-N 0 3 257.337 2.373 10 0 CEAEHN OCCN1CCc2ccccc2[C@H]1c1ccccc1CO ZINC000616678401 348557947 /nfs/dbraw/zinc/55/79/47/348557947.db2.gz HLUHQBDBTBMZRP-SFHVURJKSA-N 0 3 283.371 2.119 10 0 CEAEHN Nc1ccc([C@@H]2c3ccccc3CCN2CCO)cc1 ZINC000616679768 348558901 /nfs/dbraw/zinc/55/89/01/348558901.db2.gz WWSCOQSSSOYCGP-QGZVFWFLSA-N 0 3 268.360 2.209 10 0 CEAEHN CCc1nc(CC)n(C[C@@H](NC)c2ccccc2OC)n1 ZINC000088741045 179662238 /nfs/dbraw/zinc/66/22/38/179662238.db2.gz NYYMJTZVTZHYSS-CYBMUJFWSA-N 0 3 288.395 2.372 10 0 CEAEHN CCn1nc(C[C@H](NC)c2ccncn2)c2ccccc21 ZINC000089177869 179742960 /nfs/dbraw/zinc/74/29/60/179742960.db2.gz YRRHRLHIHJLTPF-HNNXBMFYSA-N 0 3 281.363 2.349 10 0 CEAEHN CCN[C@H](Cc1cc(C)nn1CC)c1ccccn1 ZINC000089192986 179749961 /nfs/dbraw/zinc/74/99/61/179749961.db2.gz LNKXRQYKTLLHBQ-OAHLLOKOSA-N 0 3 258.369 2.500 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1ccc(C)c(F)c1 ZINC000104335492 185973942 /nfs/dbraw/zinc/97/39/42/185973942.db2.gz LWYCAAPOGZAFCM-HIFRSBDPSA-N 0 3 266.360 2.245 10 0 CEAEHN CCN[C@H](C)c1ccccc1SCCS(C)(=O)=O ZINC000104334896 185973994 /nfs/dbraw/zinc/97/39/94/185973994.db2.gz SXOIBVUDCUISTE-LLVKDONJSA-N 0 3 287.450 2.494 10 0 CEAEHN CCN[C@H]1COC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000090473242 179989902 /nfs/dbraw/zinc/98/99/02/179989902.db2.gz AYSSZFYBXNPSCT-RYUDHWBXSA-N 0 3 293.754 2.482 10 0 CEAEHN CCCn1c2ccccc2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571665 180007263 /nfs/dbraw/zinc/00/72/63/180007263.db2.gz OFPLAWNPDYZNSF-ZFWWWQNUSA-N 0 3 259.353 2.062 10 0 CEAEHN C[C@@]1(c2nc3ccc(F)cc3n2C2CC2)COC[C@@H]1N ZINC000090571865 180007537 /nfs/dbraw/zinc/00/75/37/180007537.db2.gz MQFSCXQKVHNZPB-DZGCQCFKSA-N 0 3 275.327 2.126 10 0 CEAEHN CCCn1c2ccc(C)cc2nc1[C@]1(C)COC[C@@H]1N ZINC000090571696 180008010 /nfs/dbraw/zinc/00/80/10/180008010.db2.gz LPGHYFYKFHVKAO-GOEBONIOSA-N 0 3 273.380 2.370 10 0 CEAEHN Cc1cccc(C(C)C)c1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090580743 180008317 /nfs/dbraw/zinc/00/83/17/180008317.db2.gz ONLZSOYVNGGFCO-BBRMVZONSA-N 0 3 276.380 2.421 10 0 CEAEHN CCc1cccc(CC)c1NC(=O)[C@]1(C)COC[C@H]1N ZINC000090580283 180008357 /nfs/dbraw/zinc/00/83/57/180008357.db2.gz XDRKNDZQCBAGCH-CZUORRHYSA-N 0 3 276.380 2.114 10 0 CEAEHN CCC1CCC(c2noc([C@]3(C)COC[C@H]3N)n2)CC1 ZINC000090574138 180008437 /nfs/dbraw/zinc/00/84/37/180008437.db2.gz QYJUKOHKGVKUJT-WKQXJPDBSA-N 0 3 279.384 2.369 10 0 CEAEHN CN1CCN(CCCCc2ccc(C=O)cc2)CC1 ZINC000090669172 180020450 /nfs/dbraw/zinc/02/04/50/180020450.db2.gz UYMGFBAPBDWEGR-UHFFFAOYSA-N 0 3 260.381 2.069 10 0 CEAEHN C[C@H](O[C@@H]1COc2ccccc2[C@@H]1N)C(F)(F)F ZINC000090672516 180020934 /nfs/dbraw/zinc/02/09/34/180020934.db2.gz HQVAIUCKRHGMGM-XROYCOCOSA-N 0 3 261.243 2.415 10 0 CEAEHN Nc1nsc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000090693113 180025194 /nfs/dbraw/zinc/02/51/94/180025194.db2.gz YEYGHQOBTAIPJC-GFCCVEGCSA-N 0 3 289.408 2.197 10 0 CEAEHN COc1cccc([C@H](C)NC[C@@H](C)[S@](C)=O)c1 ZINC000090842164 180043322 /nfs/dbraw/zinc/04/33/22/180043322.db2.gz JYFALXBOMBDHPW-VGTOOOLASA-N 0 3 255.383 2.113 10 0 CEAEHN Cc1ccc2c(c1)C[C@H](CNCc1ccccn1)O2 ZINC000090897226 180056792 /nfs/dbraw/zinc/05/67/92/180056792.db2.gz HZQRCPFSXUFRKU-OAHLLOKOSA-N 0 3 254.333 2.483 10 0 CEAEHN Cc1ccc2c(c1)C[C@@H](CNCc1ccncc1)O2 ZINC000090897285 180057012 /nfs/dbraw/zinc/05/70/12/180057012.db2.gz SUHRPCDKAKFUPQ-HNNXBMFYSA-N 0 3 254.333 2.483 10 0 CEAEHN CNCc1cnc(C)n1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090901954 180059923 /nfs/dbraw/zinc/05/99/23/180059923.db2.gz OKVCFGPPBSRCNQ-HNNXBMFYSA-N 0 3 271.364 2.223 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H]1CCN(C2CC2)C1 ZINC000090960517 180075223 /nfs/dbraw/zinc/07/52/23/180075223.db2.gz UPZPRFSHBZWMEW-NSHDSACASA-N 0 3 279.409 2.033 10 0 CEAEHN C=COCCCNCc1sccc1NC(C)=O ZINC000090959250 180075562 /nfs/dbraw/zinc/07/55/62/180075562.db2.gz QAYVEUCNHHUAGM-UHFFFAOYSA-N 0 3 254.355 2.346 10 0 CEAEHN CC(=O)Nc1ccsc1CNCCOCC(F)(F)F ZINC000090960728 180076299 /nfs/dbraw/zinc/07/62/99/180076299.db2.gz TTYCFIBGOYZIEX-UHFFFAOYSA-N 0 3 296.314 2.375 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@H]1CCCC[C@@H]1O ZINC000090962550 180076701 /nfs/dbraw/zinc/07/67/01/180076701.db2.gz FIIQYXDYXLZMOV-GJZGRUSLSA-N 0 3 262.353 2.038 10 0 CEAEHN COC(=O)C1CCN(C[C@H]2Cc3ccccc32)CC1 ZINC000090981385 180079025 /nfs/dbraw/zinc/07/90/25/180079025.db2.gz ZRDALTAGDAGHBI-CQSZACIVSA-N 0 3 259.349 2.211 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1C[C@H]1Cc2ccccc21 ZINC000090993371 180082337 /nfs/dbraw/zinc/08/23/37/180082337.db2.gz OJXCCBAXHQFJAU-CZUORRHYSA-N 0 3 270.376 2.069 10 0 CEAEHN NCc1cccn1CC(=O)Nc1ccc(Cl)cc1 ZINC000090995166 180082868 /nfs/dbraw/zinc/08/28/68/180082868.db2.gz JCMLFDHMCNSJKF-UHFFFAOYSA-N 0 3 263.728 2.239 10 0 CEAEHN COCCNCc1cn(CC(F)(F)F)c2ncccc12 ZINC000091021239 180088675 /nfs/dbraw/zinc/08/86/75/180088675.db2.gz YITOHXLISGTSEC-UHFFFAOYSA-N 0 3 287.285 2.335 10 0 CEAEHN CCn1cccc1CNC[C@H]1COc2ccccc2O1 ZINC000091022967 180088839 /nfs/dbraw/zinc/08/88/39/180088839.db2.gz CUQZFBKBBKRICA-AWEZNQCLSA-N 0 3 272.348 2.438 10 0 CEAEHN CC1CCC(OC(=O)C[C@H]2CSCCN2)CC1 ZINC000091129935 180101237 /nfs/dbraw/zinc/10/12/37/180101237.db2.gz LZLFLLWPOVIJIG-CXQJBGSLSA-N 0 3 257.399 2.203 10 0 CEAEHN C[C@@H](NC(=O)C[C@H]1CSCCN1)c1cccs1 ZINC000091134408 180102905 /nfs/dbraw/zinc/10/29/05/180102905.db2.gz HEEKLVLWTYQTEV-ZJUUUORDSA-N 0 3 270.423 2.020 10 0 CEAEHN CCCc1c(CNC2CC2)cnn1-c1ccncc1 ZINC000091337124 180136668 /nfs/dbraw/zinc/13/66/68/180136668.db2.gz XCSNLUCKYDPAGG-UHFFFAOYSA-N 0 3 256.353 2.472 10 0 CEAEHN O=C(Nc1ccc(F)cn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091361756 180141676 /nfs/dbraw/zinc/14/16/76/180141676.db2.gz CITVFNOGRGKIMZ-DRZSPHRISA-N 0 3 277.343 2.470 10 0 CEAEHN C[C@@H](CO)CSc1nc2ccccc2cc1CN ZINC000091259662 180115994 /nfs/dbraw/zinc/11/59/94/180115994.db2.gz SMMWAVPOJXRVCY-JTQLQIEISA-N 0 3 262.378 2.414 10 0 CEAEHN CN([C@@H](CN)c1cncn1C1CC1)C1CCCCC1 ZINC000091276167 180118437 /nfs/dbraw/zinc/11/84/37/180118437.db2.gz MCUUKHQBMNOLEE-AWEZNQCLSA-N 0 3 262.401 2.482 10 0 CEAEHN CC[C@@H]1CCCCN1[C@@H](CN)c1cncn1C1CC1 ZINC000091276219 180120525 /nfs/dbraw/zinc/12/05/25/180120525.db2.gz RVONEDITMSSFNN-OCCSQVGLSA-N 0 3 262.401 2.482 10 0 CEAEHN CNc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1C ZINC000091432073 180153511 /nfs/dbraw/zinc/15/35/11/180153511.db2.gz MVTIEJFPUSGBDF-CQSZACIVSA-N 0 3 275.396 2.203 10 0 CEAEHN CN(C)[C@@H]1CCCN(c2nc(C3CC3)c(C=O)s2)C1 ZINC000091449310 180157436 /nfs/dbraw/zinc/15/74/36/180157436.db2.gz CUFDLNKBOFIQAN-LLVKDONJSA-N 0 3 279.409 2.363 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccncc1Cl ZINC000091457087 180160064 /nfs/dbraw/zinc/16/00/64/180160064.db2.gz MYXOXOZFIZLFCX-WDEREUQCSA-N 0 3 281.787 2.338 10 0 CEAEHN CCCN[C@H]([C@@H](C)c1ccccn1)C(C)(C)S(C)(=O)=O ZINC000091383451 180143705 /nfs/dbraw/zinc/14/37/05/180143705.db2.gz NIPQURVMXNWOKW-GXTWGEPZSA-N 0 3 298.452 2.377 10 0 CEAEHN C[C@H](C(=O)c1ccc(F)cc1)N1CCC[C@H](N(C)C)C1 ZINC000091393197 180145276 /nfs/dbraw/zinc/14/52/76/180145276.db2.gz RUAYAZSTYFVZOI-DOMZBBRYSA-N 0 3 278.371 2.423 10 0 CEAEHN CN(C)[C@H]1CCCN(CC(=O)c2cccc(F)c2)C1 ZINC000091395055 180146389 /nfs/dbraw/zinc/14/63/89/180146389.db2.gz JCSVCHSDAMWUHL-AWEZNQCLSA-N 0 3 264.344 2.034 10 0 CEAEHN CCOC(=O)[C@@H]1C[C@]12CCN(Cc1ccccc1)C2 ZINC000104853508 186028799 /nfs/dbraw/zinc/02/87/99/186028799.db2.gz FCWLRKKKNGDVQE-HOCLYGCPSA-N 0 3 259.349 2.462 10 0 CEAEHN CC(C)N(Cc1ccccc1)c1cncc(CN)n1 ZINC000091418504 180150009 /nfs/dbraw/zinc/15/00/09/180150009.db2.gz VQYPKHJOFLLIRN-UHFFFAOYSA-N 0 3 256.353 2.350 10 0 CEAEHN CCCCN(C)c1cncc(CNCC(C)C)n1 ZINC000091418582 180150095 /nfs/dbraw/zinc/15/00/95/180150095.db2.gz XJERUILWSKIJTG-UHFFFAOYSA-N 0 3 250.390 2.459 10 0 CEAEHN CNCc1cncc(N2CCC[C@@H]2C2CCCC2)n1 ZINC000091420176 180150862 /nfs/dbraw/zinc/15/08/62/180150862.db2.gz PTWQFQHSTJFUBR-CQSZACIVSA-N 0 3 260.385 2.355 10 0 CEAEHN CCCNCc1cncc(N(CCOC)CC(C)C)n1 ZINC000091419959 180150974 /nfs/dbraw/zinc/15/09/74/180150974.db2.gz FHUJIBCGTBDRDG-UHFFFAOYSA-N 0 3 280.416 2.085 10 0 CEAEHN CN[C@H](c1cc(C)cnc1N)C(C)(C)N1CCCCC1 ZINC000091564927 180193384 /nfs/dbraw/zinc/19/33/84/180193384.db2.gz DKEKSLPTZAJJEW-CQSZACIVSA-N 0 3 276.428 2.497 10 0 CEAEHN Cn1cc(CC(=O)C(C)(C)N2CCCCCC2)cn1 ZINC000091567308 180194558 /nfs/dbraw/zinc/19/45/58/180194558.db2.gz ZMYYXTSWLBKULH-UHFFFAOYSA-N 0 3 263.385 2.186 10 0 CEAEHN CCc1nn(C)c(CC(=O)[C@](C)(CC)N(C)C)c1Cl ZINC000091568927 180195060 /nfs/dbraw/zinc/19/50/60/180195060.db2.gz FVQNEHIPLHRPID-AWEZNQCLSA-N 0 3 285.819 2.478 10 0 CEAEHN CCN(CC)[C@](C)(CC)C(=O)Cc1cccnc1N ZINC000091572599 180196173 /nfs/dbraw/zinc/19/61/73/180196173.db2.gz QRCFUFXYIZCOTO-OAHLLOKOSA-N 0 3 263.385 2.286 10 0 CEAEHN CC[C@](C)([C@H](O)Cc1ccc(C)cc1)N1CCOCC1 ZINC000091611326 180206664 /nfs/dbraw/zinc/20/66/64/180206664.db2.gz UFJYYANPWVCQAQ-IAGOWNOFSA-N 0 3 277.408 2.399 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccc(C)cc1)N1CCOCC1 ZINC000091611653 180206799 /nfs/dbraw/zinc/20/67/99/180206799.db2.gz IDORQKXWNVHMDC-CVEARBPZSA-N 0 3 262.397 2.496 10 0 CEAEHN CCCn1cc([C@@H](NC)[C@@](C)(CC)N2CCOCC2)cn1 ZINC000091612654 180207058 /nfs/dbraw/zinc/20/70/58/180207058.db2.gz NMAPJODUBDSNPG-HZPDHXFCSA-N 0 3 294.443 2.055 10 0 CEAEHN Cc1nn(C)c(C[C@H](O)C(C)(C)N2CCCC2)c1Cl ZINC000091533418 180181380 /nfs/dbraw/zinc/18/13/80/180181380.db2.gz KNSNKNIPMQXIGQ-LBPRGKRZSA-N 0 3 285.819 2.160 10 0 CEAEHN CCCn1ccnc1[C@@H](NC)C(C)(C)N1CCCC1 ZINC000091534857 180182500 /nfs/dbraw/zinc/18/25/00/180182500.db2.gz SCWLTBXBXHUJHT-CYBMUJFWSA-N 0 3 264.417 2.428 10 0 CEAEHN Cc1ccncc1[C@H](N)C1(N2CCOCC2)CCCC1 ZINC000091643033 180214223 /nfs/dbraw/zinc/21/42/23/180214223.db2.gz PUFKHCDCWNXUCA-HNNXBMFYSA-N 0 3 275.396 2.035 10 0 CEAEHN CN(C)C1(C(=O)Cc2cccnc2N)CCCCCC1 ZINC000091653651 180217285 /nfs/dbraw/zinc/21/72/85/180217285.db2.gz GZXUPOQCKKFZKQ-UHFFFAOYSA-N 0 3 275.396 2.430 10 0 CEAEHN CC[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1ccco1 ZINC000091662294 180219340 /nfs/dbraw/zinc/21/93/40/180219340.db2.gz ALZTVOLRKGUFSL-RDBSUJKOSA-N 0 3 264.369 2.184 10 0 CEAEHN CCCN[C@H](c1cc(F)cc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719279 180234326 /nfs/dbraw/zinc/23/43/26/180234326.db2.gz BXENFVHRBAJWAJ-LSDHHAIUSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCN[C@H](c1cncc(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722303 180240136 /nfs/dbraw/zinc/24/01/36/180240136.db2.gz HBIMKNOJHSPPFA-BZUAXINKSA-N 0 3 293.386 2.125 10 0 CEAEHN Cc1cc(C)c(CNC[C@@H]2CN(C)CCO2)c(C)c1 ZINC000105472289 186059172 /nfs/dbraw/zinc/05/91/72/186059172.db2.gz OMGDLHRMTDXLMP-OAHLLOKOSA-N 0 3 262.397 2.032 10 0 CEAEHN Cc1noc(CCNCc2ccccc2Cl)n1 ZINC000105470118 186059385 /nfs/dbraw/zinc/05/93/85/186059385.db2.gz IYHFOEYYJZCPSA-UHFFFAOYSA-N 0 3 251.717 2.364 10 0 CEAEHN Cc1cc(C)c(CNC[C@H]2CN(C)CCO2)c(C)c1 ZINC000105472293 186059564 /nfs/dbraw/zinc/05/95/64/186059564.db2.gz OMGDLHRMTDXLMP-HNNXBMFYSA-N 0 3 262.397 2.032 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@@H](C)N(C)C1CCC(=O)CC1 ZINC000091854070 180273577 /nfs/dbraw/zinc/27/35/77/180273577.db2.gz DAGVYMZFLNUROH-NWDGAFQWSA-N 0 3 268.401 2.123 10 0 CEAEHN CN[C@@H]1COC[C@H]1c1nc2ccc(F)cc2s1 ZINC000091939595 180289129 /nfs/dbraw/zinc/28/91/29/180289129.db2.gz HGKBDDCIYPPCOK-PSASIEDQSA-N 0 3 252.314 2.137 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OC[C@H]1CN(C)CCO1 ZINC000092054551 180313727 /nfs/dbraw/zinc/31/37/27/180313727.db2.gz GVWLQVFBIIENCZ-TZMCWYRMSA-N 0 3 296.386 2.206 10 0 CEAEHN CCCNCc1nc(C)ccc1OCC(=O)N[C@@H](C)CC ZINC000091995293 180301981 /nfs/dbraw/zinc/30/19/81/180301981.db2.gz HEVUFWSFDSOGNM-LBPRGKRZSA-N 0 3 293.411 2.183 10 0 CEAEHN CC[C@@H](O)COc1ccc(C)nc1CNC(C)C ZINC000091995494 180302530 /nfs/dbraw/zinc/30/25/30/180302530.db2.gz XVEDPPRZUZKNHB-GFCCVEGCSA-N 0 3 252.358 2.038 10 0 CEAEHN CNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000092023890 180308838 /nfs/dbraw/zinc/30/88/38/180308838.db2.gz UAMHKJRLQLTSTA-CABCVRRESA-N 0 3 287.407 2.345 10 0 CEAEHN CCNCc1cccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000092113383 180327511 /nfs/dbraw/zinc/32/75/11/180327511.db2.gz BWSJOBPWBSBXPO-CHWSQXEVSA-N 0 3 296.436 2.073 10 0 CEAEHN Cc1ncc(CNC[C@@H]2CCC[C@@H]2O)n1-c1ccccc1 ZINC000092129186 180329844 /nfs/dbraw/zinc/32/98/44/180329844.db2.gz BZDILXPMAPFPIB-YOEHRIQHSA-N 0 3 285.391 2.431 10 0 CEAEHN C[C@@H](C(=O)Nc1ccc(F)cc1N)N1C[C@H](C)[C@H](C)C1 ZINC000092080715 180318768 /nfs/dbraw/zinc/31/87/68/180318768.db2.gz GMHBMHRIXSNMKV-AXFHLTTASA-N 0 3 279.359 2.323 10 0 CEAEHN COc1ccc(OC)c([C@H](CN)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092082629 180319786 /nfs/dbraw/zinc/31/97/86/180319786.db2.gz IMGAPXATNOTWMZ-ZOWXZIJZSA-N 0 3 278.396 2.291 10 0 CEAEHN CCCN[C@](C)(C[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087747 180320969 /nfs/dbraw/zinc/32/09/69/180320969.db2.gz HGSLFOLVQFADHO-QVHKTLOISA-N 0 3 270.417 2.196 10 0 CEAEHN CCCN[C@](C)(C[C@@H](C)[N@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087747 180320972 /nfs/dbraw/zinc/32/09/72/180320972.db2.gz HGSLFOLVQFADHO-QVHKTLOISA-N 0 3 270.417 2.196 10 0 CEAEHN Cn1cc(CN2CCCN(CCc3ccccc3)CC2)cn1 ZINC000105869408 186080578 /nfs/dbraw/zinc/08/05/78/186080578.db2.gz CJFVXABEERAOJQ-UHFFFAOYSA-N 0 3 298.434 2.171 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000105871174 186081169 /nfs/dbraw/zinc/08/11/69/186081169.db2.gz VELJRYFZBKWPIZ-MFKMUULPSA-N 0 3 260.316 2.083 10 0 CEAEHN CCN[C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(CC)cc1 ZINC000105832443 186076766 /nfs/dbraw/zinc/07/67/66/186076766.db2.gz KBWFZLUCQVQRQH-WFASDCNBSA-N 0 3 288.391 2.295 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)N[C@H]1CCN(C(C)C)C1 ZINC000092326443 180363152 /nfs/dbraw/zinc/36/31/52/180363152.db2.gz RHLZLNMNRAKOGX-MFKMUULPSA-N 0 3 251.374 2.425 10 0 CEAEHN Cc1noc(C)c1[C@H](C)NC[C@@H]1CCCCN1C ZINC000092327794 180363173 /nfs/dbraw/zinc/36/31/73/180363173.db2.gz UXWZEEMVKVOHMT-GWCFXTLKSA-N 0 3 251.374 2.426 10 0 CEAEHN CO[C@@H]1CCCC[C@H]1NCc1c(C)nn(C)c1C ZINC000092325250 180363233 /nfs/dbraw/zinc/36/32/33/180363233.db2.gz JEHSVQLEEWKFLX-ZIAGYGMSSA-N 0 3 251.374 2.084 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2cccc(Cl)c2)C[C@@H]1C ZINC000106097745 186101849 /nfs/dbraw/zinc/10/18/49/186101849.db2.gz PMDQUUYDHKKATJ-QWHCGFSZSA-N 0 3 282.815 2.227 10 0 CEAEHN CCC(CC)N1C(=O)C[C@H](NC[C@@H]2CC=CCC2)C1=O ZINC000106257856 186105658 /nfs/dbraw/zinc/10/56/58/186105658.db2.gz YREJLWFKIXULPC-OCCSQVGLSA-N 0 3 278.396 2.248 10 0 CEAEHN COc1ccc2c(c1)[C@H](N[C@H](C)CS(C)(=O)=O)CCC2 ZINC000092384226 180373990 /nfs/dbraw/zinc/37/39/90/180373990.db2.gz AXBMHSOJQJSSOD-IAQYHMDHSA-N 0 3 297.420 2.095 10 0 CEAEHN CN(C)C(C)(C)Cn1c2ccncc2[nH]c1=S ZINC000092514485 180399736 /nfs/dbraw/zinc/39/97/36/180399736.db2.gz LEDRQBPKYSINBS-UHFFFAOYSA-N 0 3 250.371 2.434 10 0 CEAEHN NNc1cc(C2CC2)nc(-c2ccc3c(c2)OCO3)n1 ZINC000109528069 186259937 /nfs/dbraw/zinc/25/99/37/186259937.db2.gz KAAFWJUUEUENQG-UHFFFAOYSA-N 0 3 270.292 2.035 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@H](N[C@@H](C)Cc2cccs2)C1=O ZINC000109379735 186250418 /nfs/dbraw/zinc/25/04/18/186250418.db2.gz OSUIXTGYISXONT-GVXVVHGQSA-N 0 3 294.420 2.195 10 0 CEAEHN COc1cc2c(cc1F)[nH]c(=S)n2C[C@@H]1CCN(C)C1 ZINC000110628580 186306762 /nfs/dbraw/zinc/30/67/62/186306762.db2.gz LTCZOFBWJHULBC-SECBINFHSA-N 0 3 295.383 2.424 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2Cc1ccncc1 ZINC000110629348 186307829 /nfs/dbraw/zinc/30/78/29/186307829.db2.gz CMFDDEPFSUVARF-UHFFFAOYSA-N 0 3 272.283 2.210 10 0 CEAEHN COc1ccc([C@H](CO)NC(C)C)c(Cl)c1OC ZINC000110831483 186329097 /nfs/dbraw/zinc/32/90/97/186329097.db2.gz TWBXSQKLRPKZGR-JTQLQIEISA-N 0 3 273.760 2.389 10 0 CEAEHN C[C@@H]1CN(Cc2ccc(N)cc2Cl)CCN1C ZINC000110702158 186314467 /nfs/dbraw/zinc/31/44/67/186314467.db2.gz SNCPJPZWXAZNJD-SNVBAGLBSA-N 0 3 253.777 2.058 10 0 CEAEHN CN1CCN(Cc2ccc(N)cc2Cl)CC1(C)C ZINC000110705381 186315124 /nfs/dbraw/zinc/31/51/24/186315124.db2.gz NACZDXWSBYERBK-UHFFFAOYSA-N 0 3 267.804 2.448 10 0 CEAEHN COc1ccc([C@H](C)O)cc1CN1CCN(C)C(C)(C)C1 ZINC000110736327 186318037 /nfs/dbraw/zinc/31/80/37/186318037.db2.gz BZFKVWSLUIAQTI-ZDUSSCGKSA-N 0 3 292.423 2.275 10 0 CEAEHN COc1ccc(C)cc1[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000110736491 186319258 /nfs/dbraw/zinc/31/92/58/186319258.db2.gz YTKJSZVCPUFNOP-HNNXBMFYSA-N 0 3 292.423 2.063 10 0 CEAEHN CCCN(CCN(C)C)c1ccc(N)c(OC)c1 ZINC000111054940 186348914 /nfs/dbraw/zinc/34/89/14/186348914.db2.gz BVODXCSUZVYDPZ-UHFFFAOYSA-N 0 3 251.374 2.055 10 0 CEAEHN CCN1CCC(N(C)C(=O)c2c(N)cccc2Cl)CC1 ZINC000111009165 186342219 /nfs/dbraw/zinc/34/22/19/186342219.db2.gz ORJCKQXAWVDWFH-UHFFFAOYSA-N 0 3 295.814 2.479 10 0 CEAEHN NC[C@H](Cc1cccc(F)c1F)C(=O)N1CCCCC1 ZINC000111037557 186346669 /nfs/dbraw/zinc/34/66/69/186346669.db2.gz HSZGGTKEVNPUAV-LBPRGKRZSA-N 0 3 282.334 2.095 10 0 CEAEHN CN(C[C@@H]1CCCOC1)c1nc2c(cc1CN)CCCC2 ZINC000111153741 186361121 /nfs/dbraw/zinc/36/11/21/186361121.db2.gz VTAVKQVVMRVTBJ-ZDUSSCGKSA-N 0 3 289.423 2.282 10 0 CEAEHN CN(C[C@@H]1CCCOC1)[C@@H](CN)c1cccc(F)c1F ZINC000111157592 186362171 /nfs/dbraw/zinc/36/21/71/186362171.db2.gz BJYULMLYWKLSPP-FZMZJTMJSA-N 0 3 284.350 2.323 10 0 CEAEHN CCc1ccc([C@@H](CN)N(C)C[C@@H]2CCCOC2)o1 ZINC000111158486 186362963 /nfs/dbraw/zinc/36/29/63/186362963.db2.gz HDZXUCYULCHWSM-GXTWGEPZSA-N 0 3 266.385 2.200 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1cccc(F)c1F ZINC000111117490 186355182 /nfs/dbraw/zinc/35/51/82/186355182.db2.gz KMFDTOVQWDOYGR-CYBMUJFWSA-N 0 3 272.339 2.323 10 0 CEAEHN Cc1ccc(C)c(C(=O)[C@@H](C)N(C)CCN(C)C)c1 ZINC000111139740 186357886 /nfs/dbraw/zinc/35/78/86/186357886.db2.gz SJZHSWBBJLQKQS-CQSZACIVSA-N 0 3 262.397 2.368 10 0 CEAEHN O=C(CNCC1CCOCC1)Nc1ccccc1Cl ZINC000111162361 186364106 /nfs/dbraw/zinc/36/41/06/186364106.db2.gz UXQFNHAITOXSBI-UHFFFAOYSA-N 0 3 282.771 2.295 10 0 CEAEHN C[C@@H](NC(=O)c1ccc(CN)cn1)c1cccc(F)c1 ZINC000111281858 186387915 /nfs/dbraw/zinc/38/79/15/186387915.db2.gz ZOIQUAVKEAAPAD-SNVBAGLBSA-N 0 3 273.311 2.170 10 0 CEAEHN Cc1cccc(NC(=O)c2ccc(CN)cn2)c1C ZINC000111281082 186388552 /nfs/dbraw/zinc/38/85/52/186388552.db2.gz FECYYLZNKADPNS-UHFFFAOYSA-N 0 3 255.321 2.409 10 0 CEAEHN COc1cccc(CN[C@H](CC(C)C)CN(C)C)n1 ZINC000070093451 363031833 /nfs/dbraw/zinc/03/18/33/363031833.db2.gz QDWOJJAYCWGXBF-CQSZACIVSA-N 0 3 265.401 2.156 10 0 CEAEHN CCOC(=O)CCCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000070272553 363065867 /nfs/dbraw/zinc/06/58/67/363065867.db2.gz SDJQANYMTNBDRZ-LBPRGKRZSA-N 0 3 293.363 2.452 10 0 CEAEHN CCO[C@@H]1CCCN(C[C@H](O)COCc2ccccc2)C1 ZINC000070197483 363052768 /nfs/dbraw/zinc/05/27/68/363052768.db2.gz LNZGPJMJLYDWJG-DLBZAZTESA-N 0 3 293.407 2.065 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@@H](O)C(C)C)c1C ZINC000131328753 366043200 /nfs/dbraw/zinc/04/32/00/366043200.db2.gz CAVNPSBXODLWHO-GXFFZTMASA-N 0 3 253.390 2.187 10 0 CEAEHN CC(=O)c1cccc(NC(=O)N2C[C@H](N(C)C)[C@@H](C)C2)c1 ZINC000123934248 187115106 /nfs/dbraw/zinc/11/51/06/187115106.db2.gz MTEQGMLPWFDUIL-NHYWBVRUSA-N 0 3 289.379 2.303 10 0 CEAEHN CC(=O)c1cccc(NC(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c1 ZINC000123934485 187115339 /nfs/dbraw/zinc/11/53/39/187115339.db2.gz MTEQGMLPWFDUIL-IAQYHMDHSA-N 0 3 289.379 2.303 10 0 CEAEHN CC(C)(C)OC(=O)Nc1cccc(F)c1C(=N)N ZINC000070660083 363101877 /nfs/dbraw/zinc/10/18/77/363101877.db2.gz LBDGABJIUBQWER-UHFFFAOYSA-N 0 3 253.277 2.457 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2cc(C)oc2C)C1 ZINC000252641685 539884204 /nfs/dbraw/zinc/88/42/04/539884204.db2.gz MCWIXDMTEMNAHK-TZMCWYRMSA-N 0 3 266.385 2.268 10 0 CEAEHN CCc1onc(C)c1NC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000154228692 188130020 /nfs/dbraw/zinc/13/00/20/188130020.db2.gz POEYACZNKMFCFM-JQWIXIFHSA-N 0 3 294.399 2.396 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccc3[nH]cnc3c2)[C@@H](C)C1 ZINC000155362926 188200993 /nfs/dbraw/zinc/20/09/93/188200993.db2.gz ZGKDKCDLEAPZRL-NHYWBVRUSA-N 0 3 286.379 2.021 10 0 CEAEHN CN(C)C[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000156645302 188274842 /nfs/dbraw/zinc/27/48/42/188274842.db2.gz VQNDNECWPBUXAG-QDLOVBKTSA-N 0 3 278.371 2.101 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccncc1Cl ZINC000073846993 363256882 /nfs/dbraw/zinc/25/68/82/363256882.db2.gz YOSVRRKSEFZVQV-LLVKDONJSA-N 0 3 283.803 2.441 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N(C)Cc2ccco2)[C@@H](C)C1 ZINC000132255340 366130701 /nfs/dbraw/zinc/13/07/01/366130701.db2.gz QFSUNDNDJKRYPS-JSGCOSHPSA-N 0 3 279.384 2.150 10 0 CEAEHN COc1cc(Br)cc2cc(CN)c(OC)nc21 ZINC000675069924 540110163 /nfs/dbraw/zinc/11/01/63/540110163.db2.gz MQOQSQBZPRHLBA-UHFFFAOYSA-N 0 3 297.152 2.473 10 0 CEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)[C@@H](CC)CO1 ZINC000403935028 540118091 /nfs/dbraw/zinc/11/80/91/540118091.db2.gz LTOHGVIMZWXQLI-LXTVHRRPSA-N 0 3 255.402 2.427 10 0 CEAEHN CCCN(C)[S@@](=O)(=NCC)c1ccc(N)cc1 ZINC000675076791 540117858 /nfs/dbraw/zinc/11/78/58/540117858.db2.gz ZOGKKEYNKOBTEV-KRWDZBQOSA-N 0 3 255.387 2.372 10 0 CEAEHN COc1c(CNCCc2ccccc2F)c(C)nn1C ZINC000134103481 366287059 /nfs/dbraw/zinc/28/70/59/366287059.db2.gz LAADYNGWLOFDGQ-UHFFFAOYSA-N 0 3 277.343 2.209 10 0 CEAEHN COc1cccc(Cl)c1CC(=O)N1CC[C@H](N(C)C)C1 ZINC000134155131 366292525 /nfs/dbraw/zinc/29/25/25/366292525.db2.gz SKMUEWANVRYGHF-NSHDSACASA-N 0 3 296.798 2.054 10 0 CEAEHN C[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)NCCS2 ZINC000575511543 366292856 /nfs/dbraw/zinc/29/28/56/366292856.db2.gz FWZMUZXZIWTLMY-GWCFXTLKSA-N 0 3 272.414 2.439 10 0 CEAEHN Cc1ncsc1CN(C)C[C@H]1CCC[C@H](O)C1 ZINC000310095954 540335976 /nfs/dbraw/zinc/33/59/76/540335976.db2.gz AKILKTVYVLHLIM-RYUDHWBXSA-N 0 3 254.399 2.434 10 0 CEAEHN CCN1CC[C@H](NCc2c(C)nc3sc(C)cn23)C1 ZINC000389533480 540358714 /nfs/dbraw/zinc/35/87/14/540358714.db2.gz ITWNZZZNDSMFOT-LBPRGKRZSA-N 0 3 278.425 2.196 10 0 CEAEHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2O)cc1 ZINC000135957555 366484868 /nfs/dbraw/zinc/48/48/68/366484868.db2.gz BDNBHPUAXLTFBL-HZPDHXFCSA-N 0 3 290.407 2.172 10 0 CEAEHN CN(Cc1cccnc1)C[C@@H]1CCO[C@H]1c1nccn1C ZINC000667947842 540538007 /nfs/dbraw/zinc/53/80/07/540538007.db2.gz CYEOZMLSNMKHEE-LSDHHAIUSA-N 0 3 286.379 2.025 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)N(C)C ZINC000133161658 283475474 /nfs/dbraw/zinc/47/54/74/283475474.db2.gz YHUCVNPPUGZLIS-FZMZJTMJSA-N 0 3 288.395 2.470 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1scnc1C ZINC000177027826 189022112 /nfs/dbraw/zinc/02/21/12/189022112.db2.gz AQUNVTARTQTVNK-NSHDSACASA-N 0 3 267.398 2.008 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCc1cscn1 ZINC000177041168 189023144 /nfs/dbraw/zinc/02/31/44/189023144.db2.gz PLHQJHWTMVKJRK-CYBMUJFWSA-N 0 3 281.425 2.018 10 0 CEAEHN C[C@H]1CN(Cc2cccc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000177242189 189039185 /nfs/dbraw/zinc/03/91/85/189039185.db2.gz IBPKVGWZYCVLAO-BBRMVZONSA-N 0 3 294.826 2.493 10 0 CEAEHN Cc1noc(C)c1CN1CCC[C@@H]1Cn1ccnc1C ZINC000178334201 189108001 /nfs/dbraw/zinc/10/80/01/189108001.db2.gz PAVKNQFNQBWPCG-CQSZACIVSA-N 0 3 274.368 2.461 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1c1ncc(F)cn1 ZINC000676563418 540934443 /nfs/dbraw/zinc/93/44/43/540934443.db2.gz DJEPNDOZJZCTPZ-STQMWFEESA-N 0 3 264.348 2.069 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc2ccccc2n1 ZINC000180589268 189264284 /nfs/dbraw/zinc/26/42/84/189264284.db2.gz GVMUKPJZEMVATC-GXTWGEPZSA-N 0 3 293.374 2.492 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H](C)CS(C)(=O)=O)cc1C ZINC000081902525 363746778 /nfs/dbraw/zinc/74/67/78/363746778.db2.gz UPAQBRVESXLUQA-OLZOCXBDSA-N 0 3 269.410 2.387 10 0 CEAEHN CCc1ccnc(C(=O)N(C)C[C@H]2CCCN2CC)c1 ZINC000181914455 189309699 /nfs/dbraw/zinc/30/96/99/189309699.db2.gz WDVVHQOTYMBWCQ-CQSZACIVSA-N 0 3 275.396 2.200 10 0 CEAEHN Cc1ccc(-c2ccc(N3CCNCC3)nn2)cc1C ZINC000011567981 361360019 /nfs/dbraw/zinc/36/00/19/361360019.db2.gz SBPKQGUOKCYTCY-UHFFFAOYSA-N 0 3 268.364 2.170 10 0 CEAEHN CSc1ccc(NCCN2CCCCCC2)nn1 ZINC000301545079 201061077 /nfs/dbraw/zinc/06/10/77/201061077.db2.gz TUIWKRNXCFLUCA-UHFFFAOYSA-N 0 3 266.414 2.486 10 0 CEAEHN COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(F)cc1 ZINC000013476909 361429784 /nfs/dbraw/zinc/42/97/84/361429784.db2.gz NTYATEQGMUSJQM-CHWSQXEVSA-N 0 3 251.301 2.034 10 0 CEAEHN C(c1nc2c(s1)CCCC2)N1CCN2CCC[C@H]2C1 ZINC000678984537 541201399 /nfs/dbraw/zinc/20/13/99/541201399.db2.gz CJENCQPRLKQFDH-LBPRGKRZSA-N 0 3 277.437 2.302 10 0 CEAEHN O[C@H](CN1CCc2ccccc2C1)c1cccnc1 ZINC000032108301 361727170 /nfs/dbraw/zinc/72/71/70/361727170.db2.gz OBBABXWNDQZQAT-MRXNPFEDSA-N 0 3 254.333 2.173 10 0 CEAEHN C[C@H]1CO[C@H](c2ccc(Br)cc2)CN1 ZINC000032108960 361727300 /nfs/dbraw/zinc/72/73/00/361727300.db2.gz BTSSUSWSXIZMSK-KWQFWETISA-N 0 3 256.143 2.499 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1cnn(Cc2ccccc2)c1 ZINC000089164199 363943438 /nfs/dbraw/zinc/94/34/38/363943438.db2.gz MEODKCARPVBHJZ-IAGOWNOFSA-N 0 3 285.391 2.182 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(Cl)ccn1 ZINC000092627425 364090191 /nfs/dbraw/zinc/09/01/91/364090191.db2.gz QCXAAWSYBFBYAI-LBPRGKRZSA-N 0 3 281.787 2.291 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)c1cc(C)[nH]c1C ZINC000092632954 364092009 /nfs/dbraw/zinc/09/20/09/364092009.db2.gz GSNQJJGNPDNBPH-CQSZACIVSA-N 0 3 277.412 2.230 10 0 CEAEHN Cc1cccnc1CN1CCC(c2cc[nH]n2)CC1 ZINC000093169822 364147641 /nfs/dbraw/zinc/14/76/41/364147641.db2.gz SYDBBNACZMLUEH-UHFFFAOYSA-N 0 3 256.353 2.493 10 0 CEAEHN Cc1c(CNC[C@@H](c2cccs2)N(C)C)cnn1C ZINC000093649344 364208870 /nfs/dbraw/zinc/20/88/70/364208870.db2.gz PUFLXNNNJLLKMJ-ZDUSSCGKSA-N 0 3 278.425 2.183 10 0 CEAEHN Cc1cccnc1CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000094434665 364272999 /nfs/dbraw/zinc/27/29/99/364272999.db2.gz IRVJNVCJQGFZFH-GJZGRUSLSA-N 0 3 259.397 2.449 10 0 CEAEHN COC[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000103435554 364653243 /nfs/dbraw/zinc/65/32/43/364653243.db2.gz BMOGGRCFAOUVIK-HNNXBMFYSA-N 0 3 292.423 2.168 10 0 CEAEHN Cn1nc(CNCC[C@@H]2CCCO2)c2ccccc21 ZINC000112340589 364794286 /nfs/dbraw/zinc/79/42/86/364794286.db2.gz MDRMLHYKARRMQE-LBPRGKRZSA-N 0 3 259.353 2.232 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NC[C@@H]2CCc3ccccc32)C1 ZINC000111879878 364766139 /nfs/dbraw/zinc/76/61/39/364766139.db2.gz BNIMIIOLGBDWGV-GJZGRUSLSA-N 0 3 287.407 2.062 10 0 CEAEHN Cc1ccc([C@@H](C)NCC[C@@H]2CCS(=O)(=O)C2)o1 ZINC000680406419 541409274 /nfs/dbraw/zinc/40/92/74/541409274.db2.gz ZZMKNHIYNDQLKG-VXGBXAGGSA-N 0 3 271.382 2.063 10 0 CEAEHN CC[C@H](CC1CCCC1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116788845 365067934 /nfs/dbraw/zinc/06/79/34/365067934.db2.gz GGNGKGGSTYCOKM-HZPDHXFCSA-N 0 3 296.455 2.382 10 0 CEAEHN C[C@@H](O)CN1CCN(CCCC2CCCC2)C[C@H]1C ZINC000120442383 365424970 /nfs/dbraw/zinc/42/49/70/365424970.db2.gz VUUIZSBLSJRCNL-HUUCEWRRSA-N 0 3 268.445 2.344 10 0 CEAEHN C[C@@H]1COC[C@H](C)N1CCCCCn1cccn1 ZINC000120827755 365480899 /nfs/dbraw/zinc/48/08/99/365480899.db2.gz ULPJWQNNKOVMSI-OKILXGFUSA-N 0 3 251.374 2.163 10 0 CEAEHN CC[C@@H]1CN(Cc2cccs2)CCN1CCOC ZINC000120925710 365497668 /nfs/dbraw/zinc/49/76/68/365497668.db2.gz FMTKRXSEQBKNLP-CYBMUJFWSA-N 0 3 268.426 2.291 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000161701143 283885773 /nfs/dbraw/zinc/88/57/73/283885773.db2.gz PWQPQHAPXFLTKI-IHRRRGAJSA-N 0 3 282.428 2.310 10 0 CEAEHN CCCCCNC(=O)[C@@H](C)N(C)C[C@H]1CCCN1CC ZINC000245480558 370826628 /nfs/dbraw/zinc/82/66/28/370826628.db2.gz XKXUHNLQSWASAG-HUUCEWRRSA-N 0 3 283.460 2.097 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H]2CC23CCCCC3)C1 ZINC000245595726 370847356 /nfs/dbraw/zinc/84/73/56/370847356.db2.gz IKQNPGZHCXQWLM-KGLIPLIRSA-N 0 3 279.428 2.493 10 0 CEAEHN CC(C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000616569242 367231890 /nfs/dbraw/zinc/23/18/90/367231890.db2.gz HLHXVLHNALXPLK-UONOGXRCSA-N 0 3 264.344 2.125 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(CCOC(C)(C)C)C1 ZINC000170651697 367392097 /nfs/dbraw/zinc/39/20/97/367392097.db2.gz VAALIXLUSQWXIJ-ZDUSSCGKSA-N 0 3 270.417 2.182 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccc(CO)cc1 ZINC000168739475 367359101 /nfs/dbraw/zinc/35/91/01/367359101.db2.gz HZOAKYXXHFXCCS-WMLDXEAASA-N 0 3 274.408 2.238 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc3scnc3c2)C1 ZINC000171083745 367474862 /nfs/dbraw/zinc/47/48/62/367474862.db2.gz MQROOHBXZZWWPB-NSHDSACASA-N 0 3 290.392 2.464 10 0 CEAEHN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170860350 367432941 /nfs/dbraw/zinc/43/29/41/367432941.db2.gz LHEGXTJUDOOURW-YPMHNXCESA-N 0 3 296.798 2.270 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1cccs1 ZINC000170863206 367434777 /nfs/dbraw/zinc/43/47/77/367434777.db2.gz LVSGNRJNXGVXQJ-MNOVXSKESA-N 0 3 267.398 2.155 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000170863123 367434984 /nfs/dbraw/zinc/43/49/84/367434984.db2.gz RSTDWIFQHVWRQS-SNVBAGLBSA-N 0 3 270.735 2.255 10 0 CEAEHN c1cc(-c2nc(CN3CCN4CCC[C@@H]4C3)no2)cs1 ZINC000171641163 367584538 /nfs/dbraw/zinc/58/45/38/367584538.db2.gz BNWYDFCFBSIKLA-GFCCVEGCSA-N 0 3 290.392 2.078 10 0 CEAEHN c1cnnc(NC2CCN([C@@H]3C=CCCC3)CC2)c1 ZINC000171745974 367607823 /nfs/dbraw/zinc/60/78/23/367607823.db2.gz JVLSEWXKMUNXRF-CQSZACIVSA-N 0 3 258.369 2.462 10 0 CEAEHN O=C(NCCN1CCCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171770345 367614121 /nfs/dbraw/zinc/61/41/21/367614121.db2.gz BNLCMCQBFNWRSS-QWHCGFSZSA-N 0 3 294.345 2.280 10 0 CEAEHN O=C([C@H]1CSc2ccccc21)N1CCN2CCC[C@@H]2C1 ZINC000172380154 367729843 /nfs/dbraw/zinc/72/98/43/367729843.db2.gz AUOXLYGXXUNPDR-OCCSQVGLSA-N 0 3 288.416 2.183 10 0 CEAEHN C[C@@H]1CSCCN1C[C@@H](O)COCc1ccccc1 ZINC000172435929 367742339 /nfs/dbraw/zinc/74/23/39/367742339.db2.gz ASDVCNUWFPXZOI-UKRRQHHQSA-N 0 3 281.421 2.001 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC[C@@H](C)C(C)C)C1 ZINC000172479320 367755735 /nfs/dbraw/zinc/75/57/35/367755735.db2.gz WNWVDWXGGDJCBJ-OLZOCXBDSA-N 0 3 255.406 2.062 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCn1ccnc1 ZINC000245874149 370882211 /nfs/dbraw/zinc/88/22/11/370882211.db2.gz LXOTVEZEZVELPZ-KFWWJZLASA-N 0 3 291.395 2.079 10 0 CEAEHN Fc1cccc(F)c1CN1CCN2CCC[C@H]2C1 ZINC000245766210 370871175 /nfs/dbraw/zinc/87/11/75/370871175.db2.gz QVHKAXGNXBKUPZ-NSHDSACASA-N 0 3 252.308 2.245 10 0 CEAEHN C[C@H](CNC(=O)N1CCS[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000245809635 370875038 /nfs/dbraw/zinc/87/50/38/370875038.db2.gz GBNMLDVRNVBNQO-MCIONIFRSA-N 0 3 299.484 2.254 10 0 CEAEHN Cc1ccc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000173885375 367954448 /nfs/dbraw/zinc/95/44/48/367954448.db2.gz MWPDSJPMODPBCX-DZGCQCFKSA-N 0 3 296.436 2.002 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nnc(-c2ccco2)o1 ZINC000175360060 368128584 /nfs/dbraw/zinc/12/85/84/368128584.db2.gz XBNWOCLPKLGGAW-GFCCVEGCSA-N 0 3 290.367 2.246 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@H](OC)C(C)(C)C ZINC000177562780 368272369 /nfs/dbraw/zinc/27/23/69/368272369.db2.gz XALUSNGRLOUBNY-KBPBESRZSA-N 0 3 299.459 2.173 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](OC)c1ccccc1)N(C)C ZINC000178651760 368307715 /nfs/dbraw/zinc/30/77/15/368307715.db2.gz WXFTXHUTKYENER-LSDHHAIUSA-N 0 3 278.396 2.221 10 0 CEAEHN CCCS(=O)(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000182742355 368584781 /nfs/dbraw/zinc/58/47/81/368584781.db2.gz VENUXMKWEMTVEJ-AWEZNQCLSA-N 0 3 294.420 2.211 10 0 CEAEHN CCOC(CN1CCC[C@H](Cc2noc(C)n2)C1)OCC ZINC000184964817 368730823 /nfs/dbraw/zinc/73/08/23/368730823.db2.gz IOAIMPJMRCCVJQ-CYBMUJFWSA-N 0 3 297.399 2.032 10 0 CEAEHN CCOC(CN1CC[C@H](CNc2ccccn2)C1)OCC ZINC000184973133 368732980 /nfs/dbraw/zinc/73/29/80/368732980.db2.gz RSVRGGCHAJNJTA-CQSZACIVSA-N 0 3 293.411 2.215 10 0 CEAEHN CCc1ncsc1C(=O)N1C[C@H]2CCCN2C[C@H]1CC ZINC000246260549 370937167 /nfs/dbraw/zinc/93/71/67/370937167.db2.gz LBCXFYQUENCEKF-VXGBXAGGSA-N 0 3 293.436 2.404 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1cn(C)c2ccccc12 ZINC000185304469 368783483 /nfs/dbraw/zinc/78/34/83/368783483.db2.gz UHRWCKKNPDIDHK-ZIAGYGMSSA-N 0 3 299.418 2.444 10 0 CEAEHN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)CCC1CC1 ZINC000186388948 368966877 /nfs/dbraw/zinc/96/68/77/368966877.db2.gz UNQHIRBBQSCGRV-AAEUAGOBSA-N 0 3 278.400 2.428 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H](C)C2CCS(=O)(=O)CC2)o1 ZINC000186934588 369071701 /nfs/dbraw/zinc/07/17/01/369071701.db2.gz WKBDMPZERUUDTD-NEPJUHHUSA-N 0 3 285.409 2.452 10 0 CEAEHN CCC[C@H](C(=O)N(C)CC1(O)CCCCCC1)N(C)C ZINC000186940990 369072318 /nfs/dbraw/zinc/07/23/18/369072318.db2.gz CRLCOPYACSJPDQ-CQSZACIVSA-N 0 3 284.444 2.260 10 0 CEAEHN OC[C@H]1CN(Cc2cccnc2)C[C@H]1c1ccsc1 ZINC000188105501 369297533 /nfs/dbraw/zinc/29/75/33/369297533.db2.gz AJURISJGVRQKID-CABCVRRESA-N 0 3 274.389 2.351 10 0 CEAEHN CCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000246419364 370959442 /nfs/dbraw/zinc/95/94/42/370959442.db2.gz SLDJRSVPFDUVFG-CHWSQXEVSA-N 0 3 279.384 2.433 10 0 CEAEHN CC[C@](C)(O)CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000189069658 369450982 /nfs/dbraw/zinc/45/09/82/369450982.db2.gz VJJVFUCZDUCFNS-KSSFIOAISA-N 0 3 269.410 2.017 10 0 CEAEHN C[C@@H]1CCN(Cc2ccc3ccccc3n2)[C@@H]1CO ZINC000189736618 369565281 /nfs/dbraw/zinc/56/52/81/369565281.db2.gz CGZJASHARVAFDT-MLGOLLRUSA-N 0 3 256.349 2.438 10 0 CEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cccn2C)C1 ZINC000190474555 369627959 /nfs/dbraw/zinc/62/79/59/369627959.db2.gz GFENJIPHSGCBTA-KRWDZBQOSA-N 0 3 298.434 2.374 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc3ncccc3c2)C1 ZINC000194575860 370055221 /nfs/dbraw/zinc/05/52/21/370055221.db2.gz VUGYYQXJAQXKMS-OAHLLOKOSA-N 0 3 298.390 2.080 10 0 CEAEHN COc1cc(C)nc(CN[C@@H](C)[C@@H]2CCCO2)c1 ZINC000214088670 370169372 /nfs/dbraw/zinc/16/93/72/370169372.db2.gz UWYYEXGJWGNVEZ-FZMZJTMJSA-N 0 3 250.342 2.056 10 0 CEAEHN CCN[C@@H](C)C(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000637892928 370151782 /nfs/dbraw/zinc/15/17/82/370151782.db2.gz DQBPGRGXRFVUPY-NEPJUHHUSA-N 0 3 264.369 2.179 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000637900407 370157651 /nfs/dbraw/zinc/15/76/51/370157651.db2.gz BCIMHJZUZNGYSR-KXUCPTDWSA-N 0 3 266.307 2.222 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@]1(C)CCCCN1 ZINC000227694661 370379840 /nfs/dbraw/zinc/37/98/40/370379840.db2.gz JORZQWCGKWWBOZ-UMVBOHGHSA-N 0 3 252.402 2.461 10 0 CEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)NC1CC1 ZINC000228961623 370416380 /nfs/dbraw/zinc/41/63/80/370416380.db2.gz WAXNSAMXTHKYCJ-INTQDDNPSA-N 0 3 278.318 2.364 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCc1ccno1 ZINC000232505397 370505137 /nfs/dbraw/zinc/50/51/37/370505137.db2.gz NHRYTOPYKPZNLS-DGCLKSJQSA-N 0 3 295.383 2.458 10 0 CEAEHN C[C@@]1(C(=O)NCC[C@@H]2CC=CCC2)CCCCN1 ZINC000638600931 370630893 /nfs/dbraw/zinc/63/08/93/370630893.db2.gz LMJZBZBPMRKBFL-HIFRSBDPSA-N 0 3 250.386 2.381 10 0 CEAEHN CCc1nc(CC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cs1 ZINC000247026454 371048808 /nfs/dbraw/zinc/04/88/08/371048808.db2.gz HPAXGHAMFKIUQV-YPMHNXCESA-N 0 3 295.452 2.093 10 0 CEAEHN CCCc1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)[nH]n1 ZINC000246950678 371036707 /nfs/dbraw/zinc/03/67/07/371036707.db2.gz LVTXWLUCVNNCFI-KGLIPLIRSA-N 0 3 290.411 2.061 10 0 CEAEHN C[C@@H](c1cc(F)ccc1F)N1CCO[C@@H](CN(C)C)C1 ZINC000247058340 371056504 /nfs/dbraw/zinc/05/65/04/371056504.db2.gz FTHQZZSUGYBBLQ-AAEUAGOBSA-N 0 3 284.350 2.288 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC000247232571 371080196 /nfs/dbraw/zinc/08/01/96/371080196.db2.gz DAVXXXDRXUKOAV-WXHSDQCUSA-N 0 3 294.345 2.231 10 0 CEAEHN COc1ccc(F)cc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247233988 371080641 /nfs/dbraw/zinc/08/06/41/371080641.db2.gz MTPUPPDFWUWQEP-YPMHNXCESA-N 0 3 292.354 2.143 10 0 CEAEHN CSc1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000247879101 371145027 /nfs/dbraw/zinc/14/50/27/371145027.db2.gz ZCFDHXIDGBGDKT-KBPBESRZSA-N 0 3 294.464 2.295 10 0 CEAEHN Cc1ccccc1[C@H](C)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248001258 371153982 /nfs/dbraw/zinc/15/39/82/371153982.db2.gz KKRNMBPMHJKKCQ-JYJNAYRXSA-N 0 3 276.424 2.443 10 0 CEAEHN CCc1nnc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C ZINC000248422350 371191032 /nfs/dbraw/zinc/19/10/32/371191032.db2.gz MQJPVBNVVDBGKA-RWMBFGLXSA-N 0 3 262.401 2.388 10 0 CEAEHN CC[C@H](C)[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000248593024 371218697 /nfs/dbraw/zinc/21/86/97/371218697.db2.gz SDTLDEONPBIQRB-RFQIPJPRSA-N 0 3 252.402 2.364 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](C)CC2)C1 ZINC000249815721 371364100 /nfs/dbraw/zinc/36/41/00/371364100.db2.gz BOTBYRRZCWYDTK-ZIAGYGMSSA-N 0 3 267.417 2.302 10 0 CEAEHN CCO[C@H](C(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000250640768 371387653 /nfs/dbraw/zinc/38/76/53/371387653.db2.gz UAQNUJPXBIJBIH-HOTGVXAUSA-N 0 3 290.407 2.365 10 0 CEAEHN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]1CCCO ZINC000252210670 371434807 /nfs/dbraw/zinc/43/48/07/371434807.db2.gz WFQSEOWDCFKFLY-ZNMIVQPWSA-N 0 3 282.428 2.013 10 0 CEAEHN CCC(C)(C)NC(=O)CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253104709 371498969 /nfs/dbraw/zinc/49/89/69/371498969.db2.gz ZOUIYFIHGISFEL-KFWWJZLASA-N 0 3 296.455 2.307 10 0 CEAEHN Cc1csc2c1ncnc2N1C[C@@H](C)NC[C@H]1C ZINC000261551378 371643797 /nfs/dbraw/zinc/64/37/97/371643797.db2.gz UKDDFANVIKAENP-NXEZZACHSA-N 0 3 262.382 2.186 10 0 CEAEHN CC(C)C(=O)N[C@@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000261704863 371707409 /nfs/dbraw/zinc/70/74/09/371707409.db2.gz OUERVGRRFZMSGM-OAHLLOKOSA-N 0 3 275.396 2.005 10 0 CEAEHN CO[C@H](C)c1cccc(NC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261745357 371718145 /nfs/dbraw/zinc/71/81/45/371718145.db2.gz DNTOALKKPWZGBI-ABAIWWIYSA-N 0 3 292.379 2.086 10 0 CEAEHN CC(C)Cn1cc(N[C@@H]2CCC[C@@H]2[C@H]2COCCN2)cn1 ZINC000261952283 371781122 /nfs/dbraw/zinc/78/11/22/371781122.db2.gz ONKNBQRYRAUISI-ARFHVFGLSA-N 0 3 292.427 2.108 10 0 CEAEHN C[S@@](=O)c1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000262429098 371861487 /nfs/dbraw/zinc/86/14/87/371861487.db2.gz IQLMMGQULKDTON-LJQANCHMSA-N 0 3 280.393 2.024 10 0 CEAEHN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CCCCN1 ZINC000262496512 371868396 /nfs/dbraw/zinc/86/83/96/371868396.db2.gz ZSZWSBWQYLAJHS-JKSUJKDBSA-N 0 3 290.407 2.019 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(C)c(Cl)c2)CCCN1 ZINC000643614774 373221501 /nfs/dbraw/zinc/22/15/01/373221501.db2.gz KSSAIDKPKKENHR-AWEZNQCLSA-N 0 3 282.771 2.356 10 0 CEAEHN COC[C@]1(C(=O)Nc2cc(Cl)ccc2C)CCCN1 ZINC000643616576 373223176 /nfs/dbraw/zinc/22/31/76/373223176.db2.gz AEDJJRSVMARVED-AWEZNQCLSA-N 0 3 282.771 2.356 10 0 CEAEHN CCc1ccc(-c2noc([C@@H]3CNCCOC3)n2)cc1 ZINC000644511669 373503361 /nfs/dbraw/zinc/50/33/61/373503361.db2.gz NRTQNHHECPTDOE-CYBMUJFWSA-N 0 3 273.336 2.002 10 0 CEAEHN Cc1cc(CN2C[C@H]3CCCCN3C[C@@H]2C)ccn1 ZINC000391235467 375315975 /nfs/dbraw/zinc/31/59/75/375315975.db2.gz CEBVAOJPOKENQS-GOEBONIOSA-N 0 3 259.397 2.449 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000282130586 375409292 /nfs/dbraw/zinc/40/92/92/375409292.db2.gz GGGJGAOOVLMOCX-RYUDHWBXSA-N 0 3 264.369 2.389 10 0 CEAEHN CO[C@H]1C[C@@H](CO)N(Cc2ccc(C(C)C)cc2)C1 ZINC000311978049 376698052 /nfs/dbraw/zinc/69/80/52/376698052.db2.gz QFKADILBDKBJQZ-HOTGVXAUSA-N 0 3 263.381 2.392 10 0 CEAEHN CC(C)(C)[C@H](O)CNCc1cnc2ccccc2n1 ZINC000324412412 376839802 /nfs/dbraw/zinc/83/98/02/376839802.db2.gz KSGQYQDXPXSWIA-CQSZACIVSA-N 0 3 259.353 2.126 10 0 CEAEHN C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([O-])ccc3F)C2)C1 ZINC000295685286 378264454 /nfs/dbraw/zinc/26/44/54/378264454.db2.gz VYOCSQWCBSOROY-INIZCTEOSA-N 0 3 292.354 2.089 10 0 CEAEHN C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([O-])ccc3F)C2)C1 ZINC000295685286 378264458 /nfs/dbraw/zinc/26/44/58/378264458.db2.gz VYOCSQWCBSOROY-INIZCTEOSA-N 0 3 292.354 2.089 10 0 CEAEHN CC[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1ccsc1 ZINC000296539424 378568989 /nfs/dbraw/zinc/56/89/89/378568989.db2.gz SECLMSPSQSOBKO-DLOVCJGASA-N 0 3 252.383 2.456 10 0 CEAEHN Cc1nccc(NCCN(C)Cc2ccccc2)n1 ZINC000266344467 190250675 /nfs/dbraw/zinc/25/06/75/190250675.db2.gz IQIANCLHNOFFJL-UHFFFAOYSA-N 0 3 256.353 2.329 10 0 CEAEHN Cc1cccnc1/C=C\C(=O)N[C@H](CC(C)C)CN(C)C ZINC000492582346 380612631 /nfs/dbraw/zinc/61/26/31/380612631.db2.gz PDPDBXRTOFDRBF-WHLNPGIBSA-N 0 3 289.423 2.496 10 0 CEAEHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)COCc1ccccc1 ZINC000183045600 542286199 /nfs/dbraw/zinc/28/61/99/542286199.db2.gz FAHUJHWHMCOEDJ-ZIAGYGMSSA-N 0 3 299.436 2.005 10 0 CEAEHN C[C@H](NC[C@H](O)c1cc(F)ccc1F)[C@H]1CCCO1 ZINC000037889945 184543337 /nfs/dbraw/zinc/54/33/37/184543337.db2.gz SULPWUCLMQMXSY-QCZZGDTMSA-N 0 3 271.307 2.155 10 0 CEAEHN COc1ccc2ccccc2c1[C@@H]1[C@@H](N)CCC(=O)N1C ZINC000070985211 184574148 /nfs/dbraw/zinc/57/41/48/184574148.db2.gz IDFNZDYPJRKXEY-GUYCJALGSA-N 0 3 284.359 2.469 10 0 CEAEHN CCNCc1cc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)c[nH]1 ZINC000088926586 184614062 /nfs/dbraw/zinc/61/40/62/184614062.db2.gz LKKBLZFOSCFLSS-VXGBXAGGSA-N 0 3 299.440 2.076 10 0 CEAEHN CCCN(C)S(=O)(=O)c1cccc(CNC(C)C)c1 ZINC000088947046 184615192 /nfs/dbraw/zinc/61/51/92/184615192.db2.gz GTAJICMGFLMWMC-UHFFFAOYSA-N 0 3 284.425 2.215 10 0 CEAEHN COCCNCc1cn(C)nc1-c1ccc(C)s1 ZINC000093297544 184661523 /nfs/dbraw/zinc/66/15/23/184661523.db2.gz AAPIMARQKHQKQY-UHFFFAOYSA-N 0 3 265.382 2.193 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(C)C1CCCCC1 ZINC000175362409 285239247 /nfs/dbraw/zinc/23/92/47/285239247.db2.gz WZIJRKHFSRMULS-MRXNPFEDSA-N 0 3 295.471 2.194 10 0 CEAEHN CCCN[C@@H]1CCC[C@@H]1S(=O)(=O)c1cccc(OC)c1 ZINC000081923450 177896636 /nfs/dbraw/zinc/89/66/36/177896636.db2.gz LGTJIZKXZILYQR-CABCVRRESA-N 0 3 297.420 2.390 10 0 CEAEHN CCC[C@@H](CS(=O)(=O)c1ccccc1F)NCC ZINC000081922994 177896169 /nfs/dbraw/zinc/89/61/69/177896169.db2.gz OPTPOMIRCVFQNQ-NSHDSACASA-N 0 3 273.373 2.378 10 0 CEAEHN CCN[C@@H](Cc1ccc(CC)cn1)c1ccncn1 ZINC000094118087 184755878 /nfs/dbraw/zinc/75/58/78/184755878.db2.gz RWBZGQRYSDBNNM-HNNXBMFYSA-N 0 3 256.353 2.327 10 0 CEAEHN CN[C@H]1[C@H](S(=O)(=O)c2ccc(F)cc2)CCC1(C)C ZINC000094310996 184778827 /nfs/dbraw/zinc/77/88/27/184778827.db2.gz WHLRSARICZJJTD-OLZOCXBDSA-N 0 3 285.384 2.376 10 0 CEAEHN Cc1cc(CN2C[C@@H](C)NCc3ccccc32)n(C)n1 ZINC000094420728 184795379 /nfs/dbraw/zinc/79/53/79/184795379.db2.gz CNPUSFUHXQXRRU-CYBMUJFWSA-N 0 3 270.380 2.227 10 0 CEAEHN COC(=O)c1ccc(CN[C@H](C)CC(C)C)nc1 ZINC000094759785 184855142 /nfs/dbraw/zinc/85/51/42/184855142.db2.gz CBBIPGURWRQXTJ-LLVKDONJSA-N 0 3 250.342 2.392 10 0 CEAEHN CO[C@@H]1CCC[C@@H](OCc2ccc(CN)cn2)C1 ZINC000094761753 184855777 /nfs/dbraw/zinc/85/57/77/184855777.db2.gz OTAOFLXTKKINFI-ZIAGYGMSSA-N 0 3 250.342 2.015 10 0 CEAEHN Cc1ccc2nc(N[C@H](C)CN3CCCCC3)nn2c1 ZINC000094604380 184824849 /nfs/dbraw/zinc/82/48/49/184824849.db2.gz BDIYHMIZWDGBSI-CYBMUJFWSA-N 0 3 273.384 2.324 10 0 CEAEHN CN[C@@](CO)(CSc1ccncc1)c1ccccc1 ZINC000094616467 184826872 /nfs/dbraw/zinc/82/68/72/184826872.db2.gz GRXFIZOLAQPTJT-HNNXBMFYSA-N 0 3 274.389 2.281 10 0 CEAEHN CC(C)OC[C@@H](O)COc1ccc(F)cc1[C@@H](C)N ZINC000094619944 184827729 /nfs/dbraw/zinc/82/77/29/184827729.db2.gz ZRHUDTSZBIEEAT-ZYHUDNBSSA-N 0 3 271.332 2.010 10 0 CEAEHN CN[C@](C)(C[C@H](C)Sc1cccc(F)c1)C(N)=O ZINC000094624101 184828595 /nfs/dbraw/zinc/82/85/95/184828595.db2.gz QGBDSYJONNYZAE-TVQRCGJNSA-N 0 3 270.373 2.160 10 0 CEAEHN CC(C)n1ncnc1C[C@@H](N)c1ccc(Cl)cn1 ZINC000094843624 184879073 /nfs/dbraw/zinc/87/90/73/184879073.db2.gz OHVZTWZBLVKZCH-SNVBAGLBSA-N 0 3 265.748 2.150 10 0 CEAEHN CC[C@@H](N)[C@H](C)S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719858 184846409 /nfs/dbraw/zinc/84/64/09/184846409.db2.gz QOEURSGJNOOYLO-GXTWGEPZSA-N 0 3 269.410 2.344 10 0 CEAEHN CCN[C@H](c1cccc(OCC)c1)[C@@H]1CN(C)CCO1 ZINC000094933281 184896645 /nfs/dbraw/zinc/89/66/45/184896645.db2.gz OGJLIEUQPRRDKD-JKSUJKDBSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCOc1cccc(CN[C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282205198 195537343 /nfs/dbraw/zinc/53/73/43/195537343.db2.gz CXJPLZNZTNHFQH-IUODEOHRSA-N 0 3 276.380 2.232 10 0 CEAEHN Cc1ccncc1N1CCN[C@H](Cc2ccccc2)C1 ZINC000086149238 135039452 /nfs/dbraw/zinc/03/94/52/135039452.db2.gz HZQJIAFMTBSEEJ-MRXNPFEDSA-N 0 3 267.376 2.411 10 0 CEAEHN CCC(O)(CC)CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000087014008 135049100 /nfs/dbraw/zinc/04/91/00/135049100.db2.gz QDWOAFAZZSRUMW-CYBMUJFWSA-N 0 3 276.380 2.235 10 0 CEAEHN C[C@H]1CN(c2c3nsnc3ccc2Cl)CCN1 ZINC000088128487 135052279 /nfs/dbraw/zinc/05/22/79/135052279.db2.gz VSANGUDOEZXPSF-ZETCQYMHSA-N 0 3 268.773 2.143 10 0 CEAEHN NCc1c(F)cccc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000093395390 135080580 /nfs/dbraw/zinc/08/05/80/135080580.db2.gz IKVRYUPOPYSJCY-UONOGXRCSA-N 0 3 250.317 2.042 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(Cl)c(CN)n1 ZINC000094443304 135088455 /nfs/dbraw/zinc/08/84/55/135088455.db2.gz UIKZPBWBADYWDB-VXGBXAGGSA-N 0 3 294.830 2.257 10 0 CEAEHN CCC[C@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000216822957 394452797 /nfs/dbraw/zinc/45/27/97/394452797.db2.gz AAOKEYFKLWVFCS-MFORYBBRSA-N 0 3 250.386 2.199 10 0 CEAEHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2N)cc1 ZINC000032629470 394489941 /nfs/dbraw/zinc/48/99/41/394489941.db2.gz GYKPRYVYGWAFFY-STQMWFEESA-N 0 3 253.367 2.039 10 0 CEAEHN C[C@H]1C[C@@H]1NCc1cc(Br)ncc1F ZINC000306478819 394515866 /nfs/dbraw/zinc/51/58/66/394515866.db2.gz ZYEHWVFKYBQZEW-RCOVLWMOSA-N 0 3 259.122 2.481 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245470962 394500066 /nfs/dbraw/zinc/50/00/66/394500066.db2.gz XBLBURHQBIPIQJ-SEBNEYGDSA-N 0 3 262.397 2.118 10 0 CEAEHN CC(C)OCCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000310558260 394535348 /nfs/dbraw/zinc/53/53/48/394535348.db2.gz AJAVIALXPAULHR-HUUCEWRRSA-N 0 3 254.418 2.360 10 0 CEAEHN CC(C)OCCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152210567 394990836 /nfs/dbraw/zinc/99/08/36/394990836.db2.gz ZNEDPXDFZXJTFP-OAHLLOKOSA-N 0 3 264.369 2.350 10 0 CEAEHN C[C@](O)(CN1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152330376 394993728 /nfs/dbraw/zinc/99/37/28/394993728.db2.gz BCHLWYDQBSWDKH-ROUUACIJSA-N 0 3 298.386 2.442 10 0 CEAEHN COC[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134881851 394959240 /nfs/dbraw/zinc/95/92/40/394959240.db2.gz SAMORRWNOVBSPG-LZWOXQAQSA-N 0 3 290.407 2.048 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCC[C@@H]1CCOC1 ZINC000401113671 395255257 /nfs/dbraw/zinc/25/52/57/395255257.db2.gz ITOIYPDBUGVDFS-BZUAXINKSA-N 0 3 266.429 2.362 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCC[C@H]1CCOC1 ZINC000401113675 395255895 /nfs/dbraw/zinc/25/58/95/395255895.db2.gz ITOIYPDBUGVDFS-OWCLPIDISA-N 0 3 266.429 2.362 10 0 CEAEHN C[C@](N)(C[C@H](O)C(F)(F)F)c1ccccc1F ZINC000205241027 395472903 /nfs/dbraw/zinc/47/29/03/395472903.db2.gz GCYYXYSQJMNMPB-UWVGGRQHSA-N 0 3 251.223 2.313 10 0 CEAEHN N[C@]1(c2cscn2)CCN(Cc2ccccc2)C1 ZINC000575470553 395664508 /nfs/dbraw/zinc/66/45/08/395664508.db2.gz DYMRHWPBVLRJLU-CQSZACIVSA-N 0 3 259.378 2.203 10 0 CEAEHN CC(C)CSCCCN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000152599587 289093459 /nfs/dbraw/zinc/09/34/59/289093459.db2.gz GHHBWMIXPHWHPF-HUUCEWRRSA-N 0 3 288.501 2.153 10 0 CEAEHN CC(=O)CC(C)(C)CC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000191903258 153198914 /nfs/dbraw/zinc/19/89/14/153198914.db2.gz XFONAXFESBYFQS-OCCSQVGLSA-N 0 3 282.428 2.227 10 0 CEAEHN CC(C)N(C(=O)[C@H](C)N[C@H](C)[C@@H]1CCCO1)C(C)C ZINC000193127755 153226976 /nfs/dbraw/zinc/22/69/76/153226976.db2.gz FAEQQAGSRXTAJB-RDBSUJKOSA-N 0 3 270.417 2.177 10 0 CEAEHN CCOc1ccccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000195314965 153280929 /nfs/dbraw/zinc/28/09/29/153280929.db2.gz UPZBIHAIYMPXRM-ZDUSSCGKSA-N 0 3 274.364 2.006 10 0 CEAEHN O[C@@H](CN1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000195505444 153292567 /nfs/dbraw/zinc/29/25/67/153292567.db2.gz OWADXCRJLITEEC-INIZCTEOSA-N 0 3 271.364 2.323 10 0 CEAEHN CC(C)(C)c1noc(CN2CCC(c3ccn[nH]3)CC2)n1 ZINC000195507681 153293044 /nfs/dbraw/zinc/29/30/44/153293044.db2.gz HAIAYNZQISEJCB-UHFFFAOYSA-N 0 3 289.383 2.470 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000263522127 154109156 /nfs/dbraw/zinc/10/91/56/154109156.db2.gz RMBXVUASDSIOKT-IYXRBSQSSA-N 0 3 282.428 2.482 10 0 CEAEHN CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@@H]1O ZINC000352661003 154326441 /nfs/dbraw/zinc/32/64/41/154326441.db2.gz QBHYGMOVFNRECL-HOTGVXAUSA-N 0 3 271.364 2.218 10 0 CEAEHN c1cc(C2CCN(Cc3cn4ccsc4n3)CC2)[nH]n1 ZINC000171081644 162376671 /nfs/dbraw/zinc/37/66/71/162376671.db2.gz JGZAMQKCGICVIQ-UHFFFAOYSA-N 0 3 287.392 2.499 10 0 CEAEHN CC(C)NC(=O)CCN1CCC[C@H]1c1ccco1 ZINC000172024203 162396589 /nfs/dbraw/zinc/39/65/89/162396589.db2.gz CAHXGSKEGMSCNT-LBPRGKRZSA-N 0 3 250.342 2.331 10 0 CEAEHN COc1csc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000176835511 165177476 /nfs/dbraw/zinc/17/74/76/165177476.db2.gz DKHZXSZQLXIFHV-WDEREUQCSA-N 0 3 280.393 2.065 10 0 CEAEHN Cn1nccc1C1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000181670314 165352669 /nfs/dbraw/zinc/35/26/69/165352669.db2.gz VDRDQWBVETYOBG-MRXNPFEDSA-N 0 3 293.411 2.143 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1CC(C)(C)OC1(C)C)N(C)C ZINC000183102713 165382546 /nfs/dbraw/zinc/38/25/46/165382546.db2.gz HAUZIOSUCRHGRI-VXGBXAGGSA-N 0 3 270.417 2.179 10 0 CEAEHN CC[C@H]([C@H](N)c1ccccc1)N1CCN(CC)CC1 ZINC000020260061 171116250 /nfs/dbraw/zinc/11/62/50/171116250.db2.gz YIWUMKODFNNSNO-HZPDHXFCSA-N 0 3 261.413 2.103 10 0 CEAEHN C[C@@H](C(=O)Nc1cccc(N)c1)N1CCC[C@@H](C)C1 ZINC000022151515 171358613 /nfs/dbraw/zinc/35/86/13/171358613.db2.gz WUSAXKUDKVMALV-NEPJUHHUSA-N 0 3 261.369 2.328 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccc1N)N1CCCCCC1 ZINC000022152956 171360318 /nfs/dbraw/zinc/36/03/18/171360318.db2.gz OSASQGAYPWYEFL-LBPRGKRZSA-N 0 3 261.369 2.472 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1cccc(CN)c1 ZINC000022167399 171366157 /nfs/dbraw/zinc/36/61/57/171366157.db2.gz RAVURAOAWSXAPB-VXGBXAGGSA-N 0 3 282.409 2.097 10 0 CEAEHN NCc1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000022210034 171373019 /nfs/dbraw/zinc/37/30/19/171373019.db2.gz RANASKYPCWPVEE-UHFFFAOYSA-N 0 3 258.296 2.466 10 0 CEAEHN CN[C@H](CC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488653 172224071 /nfs/dbraw/zinc/22/40/71/172224071.db2.gz OGEQLMJAKQIING-SECBINFHSA-N 0 3 259.231 2.069 10 0 CEAEHN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC000035571731 172267452 /nfs/dbraw/zinc/26/74/52/172267452.db2.gz KBMATORPRKJBNN-OLZOCXBDSA-N 0 3 292.379 2.357 10 0 CEAEHN CCCNCc1cc(Cl)cc(Cl)c1OCC(N)=O ZINC000035662101 172340670 /nfs/dbraw/zinc/34/06/70/172340670.db2.gz KTQBWEYYYOSPIX-UHFFFAOYSA-N 0 3 291.178 2.357 10 0 CEAEHN CC(C)NCC(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000037495692 173235169 /nfs/dbraw/zinc/23/51/69/173235169.db2.gz XSGZZMBNCPBIDL-SECBINFHSA-N 0 3 266.307 2.174 10 0 CEAEHN COC(=O)C[C@@H](N)c1ccc(OC)c(Br)c1 ZINC000038052372 174064085 /nfs/dbraw/zinc/06/40/85/174064085.db2.gz IYVWGBFPKXXSJG-SECBINFHSA-N 0 3 288.141 2.021 10 0 CEAEHN CC[C@H](C)N[C@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000038065143 174076263 /nfs/dbraw/zinc/07/62/63/174076263.db2.gz ZIHIMHYSSUIQGW-FZMZJTMJSA-N 0 3 264.369 2.388 10 0 CEAEHN C[C@@H](Cc1ccco1)N[C@@H](C)C(=O)N1CCCCC1 ZINC000038092871 174106852 /nfs/dbraw/zinc/10/68/52/174106852.db2.gz YAXXWDBAQNSJTL-STQMWFEESA-N 0 3 264.369 2.201 10 0 CEAEHN Cc1ccc([C@@H](C)NC[C@@H](O)COC(C)(C)C)o1 ZINC000038097791 174111995 /nfs/dbraw/zinc/11/19/95/174111995.db2.gz GXXUMGCJZHPCHY-VXGBXAGGSA-N 0 3 255.358 2.415 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccnc1Cl ZINC000038103311 174119700 /nfs/dbraw/zinc/11/97/00/174119700.db2.gz NYWDKYHLFZPEKG-LLVKDONJSA-N 0 3 283.803 2.441 10 0 CEAEHN CCN1C(=O)/C(=C(C)/C=C2/CCCN2C)OC1=S ZINC000038614055 174150114 /nfs/dbraw/zinc/15/01/14/174150114.db2.gz LEOSWUSPSSGMKS-WGEIWTTOSA-N 0 3 266.366 2.034 10 0 CEAEHN CCCCCN(C(=O)[C@@H](N)CCSC)C(C)C ZINC000040467560 174275692 /nfs/dbraw/zinc/27/56/92/174275692.db2.gz AONKFCBUPXEPCD-LBPRGKRZSA-N 0 3 260.447 2.494 10 0 CEAEHN Cc1cccc(CC[C@H](C)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000040500420 174296884 /nfs/dbraw/zinc/29/68/84/174296884.db2.gz SFMVAZJAZXUPNF-ZFWWWQNUSA-N 0 3 281.421 2.093 10 0 CEAEHN CCc1ncc(CN[C@H]2CCCN(CC)C2)s1 ZINC000040503000 174299993 /nfs/dbraw/zinc/29/99/93/174299993.db2.gz YGSSUYRUCUVPEO-NSHDSACASA-N 0 3 253.415 2.279 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519058 174308460 /nfs/dbraw/zinc/30/84/60/174308460.db2.gz BFHLVTYFJPKOKD-POZPLHJXSA-N 0 3 269.414 2.311 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000040629920 174358001 /nfs/dbraw/zinc/35/80/01/174358001.db2.gz REHNFGQFZDRAJX-QWRGUYRKSA-N 0 3 288.269 2.021 10 0 CEAEHN CCOC(=O)C[C@@H](N)c1cccc(OC(C)C)c1 ZINC000040641128 174364398 /nfs/dbraw/zinc/36/43/98/174364398.db2.gz ASWSHALRGABUNP-CYBMUJFWSA-N 0 3 251.326 2.427 10 0 CEAEHN CN(C)C[C@H](O)CNc1ccc(F)c(C(F)(F)F)c1 ZINC000040712840 174381296 /nfs/dbraw/zinc/38/12/96/174381296.db2.gz IMNPQTDYMWAHJE-SECBINFHSA-N 0 3 280.265 2.179 10 0 CEAEHN CN1CCC[C@H](Nc2ccc3scnc3c2N)C1 ZINC000040715788 174382995 /nfs/dbraw/zinc/38/29/95/174382995.db2.gz GTFOAJZBJKNEFN-VIFPVBQESA-N 0 3 262.382 2.385 10 0 CEAEHN CCc1c(C)nn(-c2nc3sccn3c2CN)c1C ZINC000040733510 174388592 /nfs/dbraw/zinc/38/85/92/174388592.db2.gz ALSMIMFJJXQPNR-UHFFFAOYSA-N 0 3 275.381 2.219 10 0 CEAEHN CN(C(=O)CC1CCCCC1)[C@H](CN)C(F)(F)F ZINC000662977945 414816229 /nfs/dbraw/zinc/81/62/29/414816229.db2.gz NOLBCNDSBVELTO-SNVBAGLBSA-N 0 3 266.307 2.305 10 0 CEAEHN CN(C(=O)C1C(C)(C)C1(C)C)[C@H](CN)C(F)(F)F ZINC000662978137 414816783 /nfs/dbraw/zinc/81/67/83/414816783.db2.gz FAIKADVFOKVFMA-SSDOTTSWSA-N 0 3 266.307 2.017 10 0 CEAEHN CSc1ccccc1C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662977146 414817613 /nfs/dbraw/zinc/81/76/13/414817613.db2.gz STXPOOVSEKCMAX-JTQLQIEISA-N 0 3 292.326 2.370 10 0 CEAEHN Cc1scc(C(=O)N(C)[C@H](CN)C(F)(F)F)c1C ZINC000662984276 414819350 /nfs/dbraw/zinc/81/93/50/414819350.db2.gz JSYFOUSKNAAROX-SECBINFHSA-N 0 3 280.315 2.327 10 0 CEAEHN COc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)on1 ZINC000660463665 414835432 /nfs/dbraw/zinc/83/54/32/414835432.db2.gz DUVJKRRTCGSPPV-MGPQQGTHSA-N 0 3 280.368 2.199 10 0 CEAEHN Oc1cccc2c1CC[C@@H]2NCCO[C@H]1CC1(F)F ZINC000660651240 414916902 /nfs/dbraw/zinc/91/69/02/414916902.db2.gz ZAPOXTRPPDATTR-AAEUAGOBSA-N 0 3 269.291 2.393 10 0 CEAEHN CC(C)OCCOC[C@@H](O)CN[C@@H](C)c1ccc(F)cc1 ZINC000042257255 174667968 /nfs/dbraw/zinc/66/79/68/174667968.db2.gz AFAOBJTWMKDDQM-BBRMVZONSA-N 0 3 299.386 2.279 10 0 CEAEHN CCN1CC[C@@H](NCc2cc(COC)cs2)C1 ZINC000657496195 414975410 /nfs/dbraw/zinc/97/54/10/414975410.db2.gz NZFHFAKQFPWZGA-GFCCVEGCSA-N 0 3 254.399 2.078 10 0 CEAEHN CN1C[C@@H](CNCc2c(F)cccc2Cl)CC1=O ZINC000657693701 415049444 /nfs/dbraw/zinc/04/94/44/415049444.db2.gz GBCZXIPNSVGGII-SECBINFHSA-N 0 3 270.735 2.047 10 0 CEAEHN CN1C[C@H](CNCc2cnc(C(C)(C)C)s2)CC1=O ZINC000657696871 415052554 /nfs/dbraw/zinc/05/25/54/415052554.db2.gz LJDJWGIMMIECFJ-JTQLQIEISA-N 0 3 281.425 2.009 10 0 CEAEHN OCC1CC(NCc2csc(Br)c2)C1 ZINC000657812075 415090821 /nfs/dbraw/zinc/09/08/21/415090821.db2.gz FQPGTKXVURVOEM-UHFFFAOYSA-N 0 3 276.199 2.371 10 0 CEAEHN CCCCN(CC(N)=O)[C@H](c1ccccc1Cl)[C@@H](C)N ZINC000043052863 174961101 /nfs/dbraw/zinc/96/11/01/174961101.db2.gz OKMATDURTABYLU-ABAIWWIYSA-N 0 3 297.830 2.316 10 0 CEAEHN CN[C@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300574 175001772 /nfs/dbraw/zinc/00/17/72/175001772.db2.gz STVPDQXMMCBIIC-CABZTGNLSA-N 0 3 273.785 2.035 10 0 CEAEHN CCN[C@@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300997 175001797 /nfs/dbraw/zinc/00/17/97/175001797.db2.gz GDFNNMLHEGKANM-TZMCWYRMSA-N 0 3 267.394 2.080 10 0 CEAEHN CCCN[C@H](c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301363 175002103 /nfs/dbraw/zinc/00/21/03/175002103.db2.gz POVJDMFXHUGOIZ-UKRRQHHQSA-N 0 3 297.420 2.171 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)[C@H](N)C(C)C)c1 ZINC000043318560 175005696 /nfs/dbraw/zinc/00/56/96/175005696.db2.gz DMQCARHTBVOQHE-LLVKDONJSA-N 0 3 256.733 2.270 10 0 CEAEHN CCCN(CC(F)(F)F)[C@H](CN)c1ccncc1 ZINC000043354834 175022503 /nfs/dbraw/zinc/02/25/03/175022503.db2.gz CWRWRERZIPNFNK-LLVKDONJSA-N 0 3 261.291 2.356 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N(C)Cc1cnn(C)c1 ZINC000043364819 175025640 /nfs/dbraw/zinc/02/56/40/175025640.db2.gz YKVPRGZIDZXGTF-UKRRQHHQSA-N 0 3 276.384 2.232 10 0 CEAEHN CC[C@H](N)[C@H](c1ccc(C)o1)N(C)CC(=O)N(CC)CC ZINC000043364924 175025853 /nfs/dbraw/zinc/02/58/53/175025853.db2.gz BRECNJVNDSREBQ-XJKSGUPXSA-N 0 3 295.427 2.167 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)o1)N1CCOC(C)(C)C1 ZINC000043364455 175025869 /nfs/dbraw/zinc/02/58/69/175025869.db2.gz KKKJKADDVDCVAP-OCCSQVGLSA-N 0 3 266.385 2.477 10 0 CEAEHN CN[C@@H](CN1C[C@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000043811338 175110592 /nfs/dbraw/zinc/11/05/92/175110592.db2.gz LFDBERLTUQFCTF-XEZPLFJOSA-N 0 3 278.396 2.065 10 0 CEAEHN CN[C@H](CN(C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043813123 175110895 /nfs/dbraw/zinc/11/08/95/175110895.db2.gz MLFRXJVPSPIKOF-CYBMUJFWSA-N 0 3 264.369 2.059 10 0 CEAEHN CCN[C@H](CN(C)CC)c1cc(OC)ccc1OC ZINC000043820458 175113712 /nfs/dbraw/zinc/11/37/12/175113712.db2.gz DBELRMHPAPCLBQ-CQSZACIVSA-N 0 3 266.385 2.306 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043913930 175124549 /nfs/dbraw/zinc/12/45/49/175124549.db2.gz FLZNXYOVGBGSLH-SHFYGJNESA-N 0 3 290.407 2.207 10 0 CEAEHN CCN[C@@H](CN(CC)CCOC)c1ccccc1OC ZINC000043968623 175129641 /nfs/dbraw/zinc/12/96/41/175129641.db2.gz WPXAACULBVFCLY-HNNXBMFYSA-N 0 3 280.412 2.314 10 0 CEAEHN C1CN(c2nc3c(s2)CCCCCC3)CCN1 ZINC000044494084 175181380 /nfs/dbraw/zinc/18/13/80/175181380.db2.gz CZSCIGJBYWGQEU-UHFFFAOYSA-N 0 3 251.399 2.212 10 0 CEAEHN CCCNC(=O)[C@H](C)N[C@@H]1CCCc2cc(O)ccc21 ZINC000044747153 175242583 /nfs/dbraw/zinc/24/25/83/175242583.db2.gz FTXGSZNCVCEVTF-XHDPSFHLSA-N 0 3 276.380 2.274 10 0 CEAEHN NC[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000044794415 175254861 /nfs/dbraw/zinc/25/48/61/175254861.db2.gz NWKFGQKYNIRYDT-INIZCTEOSA-N 0 3 280.371 2.393 10 0 CEAEHN C[C@H](CNc1ncccc1C(N)=S)N1CCCCC1 ZINC000045010040 175289507 /nfs/dbraw/zinc/28/95/07/175289507.db2.gz ZIDCVFOKMOKFBE-LLVKDONJSA-N 0 3 278.425 2.002 10 0 CEAEHN C[C@@H](CNC(=O)Nc1cccc(N)c1)N1CCCCC1 ZINC000045011762 175290117 /nfs/dbraw/zinc/29/01/17/175290117.db2.gz MJXAJKQCBAQGNL-LBPRGKRZSA-N 0 3 276.384 2.265 10 0 CEAEHN COCC[C@@H](C)N[C@@H](CC(=O)OC)c1cccs1 ZINC000045023374 175292562 /nfs/dbraw/zinc/29/25/62/175292562.db2.gz DIRFMWGKSQKCHL-MNOVXSKESA-N 0 3 271.382 2.367 10 0 CEAEHN CCC[C@@H](C)NC(=O)[C@@H](C)NCCOCCC(C)C ZINC000045106865 175308108 /nfs/dbraw/zinc/30/81/08/175308108.db2.gz YDTMAUNRCXAEIY-ZIAGYGMSSA-N 0 3 272.433 2.332 10 0 CEAEHN CN[C@@H](C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138146 175314553 /nfs/dbraw/zinc/31/45/53/175314553.db2.gz VCVGZIUKYQPSCO-GWCFXTLKSA-N 0 3 282.409 2.044 10 0 CEAEHN CCn1nc(C)c(-c2c[nH]c([C@@](C)(N)C3CC3)n2)c1C ZINC000045169483 175319834 /nfs/dbraw/zinc/31/98/34/175319834.db2.gz BLYOMONDRMWMCP-HNNXBMFYSA-N 0 3 273.384 2.494 10 0 CEAEHN COC(=O)[C@](N)(CN1CCCCCCC1)c1ccccc1 ZINC000045223604 175331456 /nfs/dbraw/zinc/33/14/56/175331456.db2.gz BOBLUQUZTQBUHW-KRWDZBQOSA-N 0 3 290.407 2.280 10 0 CEAEHN CCOC(=O)[C@@](C)(CCN1CCC(C)CC1)NC1CC1 ZINC000045225597 175332590 /nfs/dbraw/zinc/33/25/90/175332590.db2.gz WNHZAAUEZSFTFR-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCOC(=O)[C@@](C)(CCN1CCCCC1)NC(C)C ZINC000045230138 175333983 /nfs/dbraw/zinc/33/39/83/175333983.db2.gz ZLIHKZDLKNGOFQ-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN[C@@](C)(CN1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231789 175335497 /nfs/dbraw/zinc/33/54/97/175335497.db2.gz LXFMOCCIWZLESK-GUTXKFCHSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCN[C@](C)(CN(CC)C(C)C)C(=O)OCC ZINC000045265528 175338649 /nfs/dbraw/zinc/33/86/49/175338649.db2.gz ZWZWMECYCBNBKV-CQSZACIVSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269264 175340399 /nfs/dbraw/zinc/34/03/99/175340399.db2.gz DJCWEQIATOWNMX-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269264 175340401 /nfs/dbraw/zinc/34/04/01/175340401.db2.gz DJCWEQIATOWNMX-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CCN[C@](C)(CN1CCC(CC)CC1)C(=O)OCC ZINC000045281381 175351842 /nfs/dbraw/zinc/35/18/42/175351842.db2.gz UZKIFBQKXRPQQO-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)CCC(C)C)NC(C)C ZINC000045281245 175352053 /nfs/dbraw/zinc/35/20/53/175352053.db2.gz UGXKXDUSBOTCOM-HNNXBMFYSA-N 0 3 272.433 2.284 10 0 CEAEHN CCCN[C@@](C)(CCN1CCC(CC)CC1)C(=O)OC ZINC000045281457 175352560 /nfs/dbraw/zinc/35/25/60/175352560.db2.gz AHVFGOQIMWWIIB-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@](C)(CN(C)CC1CCCCC1)C(=O)OCC ZINC000045281560 175352775 /nfs/dbraw/zinc/35/27/75/175352775.db2.gz KQDSHZYTGDJJRF-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCOC(=O)[C@@H](CN(C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045420961 175379835 /nfs/dbraw/zinc/37/98/35/175379835.db2.gz KIPYVNQUKFCFTL-QWHCGFSZSA-N 0 3 272.433 2.283 10 0 CEAEHN Cc1[nH]c2ccccc2c1C(=O)N[C@H](CN)C(F)(F)F ZINC000655517143 415321919 /nfs/dbraw/zinc/32/19/19/415321919.db2.gz AMFPAPXATPNEJY-SNVBAGLBSA-N 0 3 285.269 2.096 10 0 CEAEHN CC(=O)Nc1cccc([C@H](C)NC2CC(CO)C2)c1 ZINC000658351902 415333615 /nfs/dbraw/zinc/33/36/15/415333615.db2.gz QLYXBZSRGIBZCE-VLRKGOCCSA-N 0 3 262.353 2.067 10 0 CEAEHN C[C@H](N[C@H]1CCC[C@@H]1n1ccnc1)c1nccn1C ZINC000070444664 175936596 /nfs/dbraw/zinc/93/65/96/175936596.db2.gz IWYQGIVRJJZCNR-AVGNSLFASA-N 0 3 259.357 2.061 10 0 CEAEHN CNCc1ccnn1Cc1cc(Br)cs1 ZINC000070708834 176002952 /nfs/dbraw/zinc/00/29/52/176002952.db2.gz YXUCJLXWKFXZSI-UHFFFAOYSA-N 0 3 286.198 2.475 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000070987093 176018490 /nfs/dbraw/zinc/01/84/90/176018490.db2.gz FDMUXUXCCHZUQM-RISCZKNCSA-N 0 3 284.281 2.257 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1CCc1ccsc1 ZINC000071032287 176023726 /nfs/dbraw/zinc/02/37/26/176023726.db2.gz OMIMSLQNMHGGGG-ZDUSSCGKSA-N 0 3 264.394 2.034 10 0 CEAEHN Cc1ccccc1[C@@H](C)N1CC[C@H](NC2CC2)C1=O ZINC000071036946 176026117 /nfs/dbraw/zinc/02/61/17/176026117.db2.gz ZNRASNPQXYLETO-DOMZBBRYSA-N 0 3 258.365 2.409 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1CCC1CCCC1 ZINC000071041397 176028081 /nfs/dbraw/zinc/02/80/81/176028081.db2.gz MNDGBEQNSBLGAU-AWEZNQCLSA-N 0 3 250.386 2.310 10 0 CEAEHN NC(=S)CCN(C[C@H]1OCCc2ccccc21)C1CC1 ZINC000071091329 176031931 /nfs/dbraw/zinc/03/19/31/176031931.db2.gz NBPWWMYFSSHIAI-OAHLLOKOSA-N 0 3 290.432 2.441 10 0 CEAEHN CNCc1ccc(Oc2cc(F)ccc2F)nn1 ZINC000071168669 176049745 /nfs/dbraw/zinc/04/97/45/176049745.db2.gz IVVLLHKMNUDUOK-UHFFFAOYSA-N 0 3 251.236 2.267 10 0 CEAEHN NCc1cnc(Sc2nc3ccccc3o2)cn1 ZINC000071178545 176055687 /nfs/dbraw/zinc/05/56/87/176055687.db2.gz WBSDFIVVRYELDE-UHFFFAOYSA-N 0 3 258.306 2.228 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1O[C@H]1CCN(C)C1=O ZINC000071183195 176058536 /nfs/dbraw/zinc/05/85/36/176058536.db2.gz QFQJNEOOCKAPMB-RISCZKNCSA-N 0 3 294.370 2.496 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cc2cc(N)ccc2o1 ZINC000071187717 176062148 /nfs/dbraw/zinc/06/21/48/176062148.db2.gz OUGLOTOHQJVMNV-LLVKDONJSA-N 0 3 287.363 2.039 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)c1nc(C(C)(C)C)c(CO)s1 ZINC000071192646 176074538 /nfs/dbraw/zinc/07/45/38/176074538.db2.gz JLWDCTYJYZVBEU-NSHDSACASA-N 0 3 297.468 2.321 10 0 CEAEHN CN(Cc1ccc(F)cc1C(N)=S)C1CCOCC1 ZINC000071265832 176099125 /nfs/dbraw/zinc/09/91/25/176099125.db2.gz LWBOXVBJXQGUBM-UHFFFAOYSA-N 0 3 282.384 2.071 10 0 CEAEHN CCNCc1nccn1CCCCCC(=O)OCC ZINC000071297843 176112636 /nfs/dbraw/zinc/11/26/36/176112636.db2.gz CHBBLIDISUFGJQ-UHFFFAOYSA-N 0 3 267.373 2.116 10 0 CEAEHN COc1ccc([C@@H](C)NC[C@@H](O)C2CC2)cc1OC ZINC000071299970 176113076 /nfs/dbraw/zinc/11/30/76/176113076.db2.gz ADHZURGQTDPZQJ-ZWNOBZJWSA-N 0 3 265.353 2.125 10 0 CEAEHN c1ccc2c(c1)C[C@H](CNC1=NC[C@@H](C3CC3)S1)O2 ZINC000071307913 176116334 /nfs/dbraw/zinc/11/63/34/176116334.db2.gz NEQJHVKHBUOITL-OCCSQVGLSA-N 0 3 274.389 2.461 10 0 CEAEHN Cn1nccc1CN[C@@H]1CCCc2cc(O)ccc21 ZINC000071333673 176126654 /nfs/dbraw/zinc/12/66/54/176126654.db2.gz GSYGNRTWLNMIHR-OAHLLOKOSA-N 0 3 257.337 2.293 10 0 CEAEHN CN(CCCn1ccc(N)n1)Cc1ccc(F)cc1 ZINC000071352039 176135034 /nfs/dbraw/zinc/13/50/34/176135034.db2.gz ZFGFXTIJQJQXGE-UHFFFAOYSA-N 0 3 262.332 2.127 10 0 CEAEHN CC(C)N(CCn1ccc(N)n1)Cc1cccs1 ZINC000071378057 176142585 /nfs/dbraw/zinc/14/25/85/176142585.db2.gz OPMYCUBISXSYDH-UHFFFAOYSA-N 0 3 264.398 2.437 10 0 CEAEHN Nc1ccn(CCN2CCC(Cc3ccccc3)CC2)n1 ZINC000071377869 176142731 /nfs/dbraw/zinc/14/27/31/176142731.db2.gz ZWWHNWJARKGMFN-UHFFFAOYSA-N 0 3 284.407 2.420 10 0 CEAEHN NCc1cc2ccccc2nc1OC[C@H]1CCOC1 ZINC000071385932 176147307 /nfs/dbraw/zinc/14/73/07/176147307.db2.gz GGYAWIQSQLLUAL-NSHDSACASA-N 0 3 258.321 2.109 10 0 CEAEHN C[C@]1(C(=O)N2CCC[C@@H](CCF)C2)CCCCN1 ZINC000662689750 415931373 /nfs/dbraw/zinc/93/13/73/415931373.db2.gz XGIAHTXKNFJWAL-GXTWGEPZSA-N 0 3 256.365 2.117 10 0 CEAEHN C[C@@H]1COC[C@]2(CCCN(Cc3ccccc3)C2)N1 ZINC000076698217 177061427 /nfs/dbraw/zinc/06/14/27/177061427.db2.gz IVHHEJJAJCUDFZ-GDBMZVCRSA-N 0 3 260.381 2.030 10 0 CEAEHN CC[C@@H]1CCCN(c2c(CNC)c(C)nn2C)CC1 ZINC000079357044 177471168 /nfs/dbraw/zinc/47/11/68/177471168.db2.gz WGTYDXJMVSRVOD-CYBMUJFWSA-N 0 3 264.417 2.464 10 0 CEAEHN CCC[C@H](C)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000187683165 270255497 /nfs/dbraw/zinc/25/54/97/270255497.db2.gz AHTABKNTOMAVDM-STQMWFEESA-N 0 3 280.416 2.499 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C/c2cccc(O)c2)C1 ZINC000186673388 270251462 /nfs/dbraw/zinc/25/14/62/270251462.db2.gz BUOLFRJGJMQEQZ-MYSGNRETSA-N 0 3 274.364 2.006 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@H](CNCc2ccno2)C1 ZINC000231884571 270314883 /nfs/dbraw/zinc/31/48/83/270314883.db2.gz HJHXJUSJQPBJOX-GFCCVEGCSA-N 0 3 295.383 2.411 10 0 CEAEHN CCOc1ccccc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C ZINC000393002428 270341949 /nfs/dbraw/zinc/34/19/49/270341949.db2.gz LWZDCYAHOCWWON-SGMGOOAPSA-N 0 3 276.380 2.403 10 0 CEAEHN Cc1ncc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)s1 ZINC000398715853 270361653 /nfs/dbraw/zinc/36/16/53/270361653.db2.gz QIRWNWYDCBCVKK-QJPTWQEYSA-N 0 3 252.383 2.044 10 0 CEAEHN CN1c2ccccc2[C@@H](NCC2CCOCC2)CC1=O ZINC000111153884 273943473 /nfs/dbraw/zinc/94/34/73/273943473.db2.gz VMABGLUUROYQKW-AWEZNQCLSA-N 0 3 274.364 2.110 10 0 CEAEHN c1nc2n(n1)C[C@@H](Nc1ccnc3ccccc31)CC2 ZINC000110578606 275076456 /nfs/dbraw/zinc/07/64/56/275076456.db2.gz NOIPHOMHFJPFBJ-NSHDSACASA-N 0 3 265.320 2.253 10 0 CEAEHN CCC[C@@H](C(=O)N1CCOC2(CCCCC2)C1)N(C)C ZINC000179453586 276020791 /nfs/dbraw/zinc/02/07/91/276020791.db2.gz PTDYWGQWBWOOPA-AWEZNQCLSA-N 0 3 282.428 2.278 10 0 CEAEHN CN1C(=O)C[C@H](NC[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000250391417 277014604 /nfs/dbraw/zinc/01/46/04/277014604.db2.gz PQGLTBSYLCONLG-IVMMDQJWSA-N 0 3 288.391 2.235 10 0 CEAEHN CN1CCO[C@H](CN[C@H]2CC(C)(C)Cc3occc32)C1 ZINC000180497158 277128295 /nfs/dbraw/zinc/12/82/95/277128295.db2.gz OWFBZBVWPKFIBR-OCCSQVGLSA-N 0 3 278.396 2.213 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1C[C@H]1C(C)C ZINC000249362587 277479427 /nfs/dbraw/zinc/47/94/27/277479427.db2.gz SXMCBMJCCGCCJD-RDBSUJKOSA-N 0 3 254.418 2.371 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037042556 277905022 /nfs/dbraw/zinc/90/50/22/277905022.db2.gz VMDOOLBETQBMGB-GUBZILKMSA-N 0 3 266.307 2.207 10 0 CEAEHN CS[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000246128291 278158072 /nfs/dbraw/zinc/15/80/72/278158072.db2.gz BDDDVMMVHSWZGW-GJZGRUSLSA-N 0 3 290.432 2.397 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000263534951 279059387 /nfs/dbraw/zinc/05/93/87/279059387.db2.gz YQQSGPNLYHEQRE-HESLUPGFSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@@H]2CCCC[C@@H]2C)C1 ZINC000263534951 279059388 /nfs/dbraw/zinc/05/93/88/279059388.db2.gz YQQSGPNLYHEQRE-HESLUPGFSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@@H]2CCCC[C@@H]2C)C1 ZINC000263534951 279059389 /nfs/dbraw/zinc/05/93/89/279059389.db2.gz YQQSGPNLYHEQRE-HESLUPGFSA-N 0 3 282.428 2.340 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1Cc2ccccc2O1 ZINC000193267580 279131714 /nfs/dbraw/zinc/13/17/14/279131714.db2.gz KUDNZBKGSSIAJR-GDBMZVCRSA-N 0 3 290.407 2.083 10 0 CEAEHN CCN(C[C@@H]1CCCO1)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000171633395 279219894 /nfs/dbraw/zinc/21/98/94/279219894.db2.gz PIMJZZMAAVENFD-CABCVRRESA-N 0 3 299.459 2.173 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCCC(C)(C)C)C1 ZINC000121240845 279767425 /nfs/dbraw/zinc/76/74/25/279767425.db2.gz ZQOXAVCCEGCINM-GFCCVEGCSA-N 0 3 255.406 2.158 10 0 CEAEHN Cc1cncc(CNC(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000134339689 280018434 /nfs/dbraw/zinc/01/84/34/280018434.db2.gz RXNXECPUWQMYDV-OAHLLOKOSA-N 0 3 292.427 2.166 10 0 CEAEHN O=C(N1CCN2CCC[C@@H]2C1)C1(c2ccc(F)cc2)CC1 ZINC000195328539 280201936 /nfs/dbraw/zinc/20/19/36/280201936.db2.gz VWSQJVSJKGAFEQ-OAHLLOKOSA-N 0 3 288.366 2.164 10 0 CEAEHN CCOCCC1(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCC1 ZINC000245679188 280256126 /nfs/dbraw/zinc/25/61/26/280256126.db2.gz JEZKWPJIVZVUMV-CABCVRRESA-N 0 3 296.455 2.428 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@H](C)SC ZINC000245703289 280257150 /nfs/dbraw/zinc/25/71/50/280257150.db2.gz XAQOEDSKRCAVRA-RYUDHWBXSA-N 0 3 258.431 2.071 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245753469 280259727 /nfs/dbraw/zinc/25/97/27/280259727.db2.gz ZBNXWOABJXGYJY-XGUBFFRZSA-N 0 3 297.443 2.068 10 0 CEAEHN CCc1onc(C)c1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246289019 280285706 /nfs/dbraw/zinc/28/57/06/280285706.db2.gz CFVAACFGOUWQTD-PWSUYJOCSA-N 0 3 279.384 2.004 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@@H]1C ZINC000247505700 280332329 /nfs/dbraw/zinc/33/23/29/280332329.db2.gz OLKJZQRPDPDRBW-KBXIAJHMSA-N 0 3 279.428 2.301 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)cc(C)c1F ZINC000134602388 280336105 /nfs/dbraw/zinc/33/61/05/280336105.db2.gz PBSBDWLBWDBTHY-ZDUSSCGKSA-N 0 3 264.344 2.219 10 0 CEAEHN COC[C@H](C)CN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000249182102 280387694 /nfs/dbraw/zinc/38/76/94/280387694.db2.gz IVMHBIVGURSHQB-MQYQWHSLSA-N 0 3 269.385 2.075 10 0 CEAEHN Cc1ccc2c(c1)[C@@H](NC[C@H]1CN(C)CCO1)CCC2 ZINC000180492741 281093114 /nfs/dbraw/zinc/09/31/14/281093114.db2.gz FDPURTWQQLTFMM-RDJZCZTQSA-N 0 3 274.408 2.293 10 0 CEAEHN C[C@@H](OC1CCCCCC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000154433962 289145185 /nfs/dbraw/zinc/14/51/85/289145185.db2.gz JUBXWCZULQWZFA-ZIAGYGMSSA-N 0 3 282.428 2.277 10 0 CEAEHN CC[C@H](O)CN1CCN(CCCSCC(C)C)CC1 ZINC000154471409 289146677 /nfs/dbraw/zinc/14/66/77/289146677.db2.gz HKMRTBXPNLRCDU-HNNXBMFYSA-N 0 3 288.501 2.154 10 0 CEAEHN CCc1noc(C)c1NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000155338195 289171200 /nfs/dbraw/zinc/17/12/00/289171200.db2.gz NTWKNXQXTDVCRD-LBPRGKRZSA-N 0 3 294.399 2.493 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000155319897 289171217 /nfs/dbraw/zinc/17/12/17/289171217.db2.gz LDBMBOAWLYPURK-QLFBSQMISA-N 0 3 294.439 2.180 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCCC2(C)C)C1 ZINC000157177471 289208925 /nfs/dbraw/zinc/20/89/25/289208925.db2.gz GJJBZBNEKWDIJG-OLZOCXBDSA-N 0 3 267.417 2.301 10 0 CEAEHN COc1cc(C)ccc1[C@H](C)N[C@H]1CCC(=O)N[C@@H]1C ZINC000392873821 329059435 /nfs/dbraw/zinc/05/94/35/329059435.db2.gz FOUQFAASTYABNO-SCRDCRAPSA-N 0 3 276.380 2.321 10 0 CEAEHN CC(C)C[N@H+](CC[C@H](NC(C)C)C(=O)[O-])C(C)C ZINC000062525347 519717541 /nfs/dbraw/zinc/71/75/41/519717541.db2.gz MFSDSLGQXNLYTE-ZDUSSCGKSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)C[N@@H+](CC[C@H](NC(C)C)C(=O)[O-])C(C)C ZINC000062525347 519717542 /nfs/dbraw/zinc/71/75/42/519717542.db2.gz MFSDSLGQXNLYTE-ZDUSSCGKSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)[NH2+][C@](C)(CCN1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516835 519739847 /nfs/dbraw/zinc/73/98/47/519739847.db2.gz FZICJMOSHCDGJB-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1OC)[C@@H]1COCCO1 ZINC000055300884 520206242 /nfs/dbraw/zinc/20/62/42/520206242.db2.gz HVBUBHNZEQVIRV-LSDHHAIUSA-N 0 3 265.353 2.070 10 0 CEAEHN CCCCCNC(=O)[C@H](C)N[C@H](C)CN1CCCCC1 ZINC000049501564 520218366 /nfs/dbraw/zinc/21/83/66/520218366.db2.gz NGNCTXQWBCEUSW-CABCVRRESA-N 0 3 283.460 2.145 10 0 CEAEHN CCO[C@H]1CCCN(Cc2nc(NN)ccc2Cl)C1 ZINC000061638736 520527055 /nfs/dbraw/zinc/52/70/55/520527055.db2.gz BCJPPTANKYPTMG-JTQLQIEISA-N 0 3 284.791 2.022 10 0 CEAEHN CCOC(=O)[C@@H](CCN1CCC(CC)CC1)NC1CC1 ZINC000062526351 521057359 /nfs/dbraw/zinc/05/73/59/521057359.db2.gz LNLBUYSNUVCVCQ-OAHLLOKOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCC[C@H](C)NS(=O)(=O)c1ccccc1CN ZINC000050888234 521150684 /nfs/dbraw/zinc/15/06/84/521150684.db2.gz BOPMGVVNMZPKBB-NSHDSACASA-N 0 3 270.398 2.002 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1cc(N)ccc1OC ZINC000069427605 521302076 /nfs/dbraw/zinc/30/20/76/521302076.db2.gz YMCMDPYCCRPHOK-UHFFFAOYSA-N 0 3 279.384 2.336 10 0 CEAEHN CCCc1nc(N2CCN(C(C)C)CC2)sc1CN ZINC000054997428 521532592 /nfs/dbraw/zinc/53/25/92/521532592.db2.gz JNHAQLTUZBEHNS-UHFFFAOYSA-N 0 3 282.457 2.085 10 0 CEAEHN CCCN(CCN(C)C)c1cc(C)nc(Cl)n1 ZINC000052814972 521658451 /nfs/dbraw/zinc/65/84/51/521658451.db2.gz SQOLOVJTUDCWEJ-UHFFFAOYSA-N 0 3 256.781 2.216 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(CO)c(C)c2)CC1 ZINC000055068048 522135178 /nfs/dbraw/zinc/13/51/78/522135178.db2.gz IXTIRNTWQFIOPS-CQSZACIVSA-N 0 3 262.397 2.408 10 0 CEAEHN COC(=O)c1cc(CN2CCN3CCCC[C@@H]3C2)cs1 ZINC000411379061 533794963 /nfs/dbraw/zinc/79/49/63/533794963.db2.gz AYCGYXDEXJQSAE-CYBMUJFWSA-N 0 3 294.420 2.205 10 0 CEAEHN CN[C@H](C)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900565 522452687 /nfs/dbraw/zinc/45/26/87/522452687.db2.gz PHYZGYOCTKEUFX-KXUCPTDWSA-N 0 3 255.387 2.037 10 0 CEAEHN CN[C@H](C)c1cnn(Cc2ccc(F)cc2F)c1 ZINC000054720909 522453117 /nfs/dbraw/zinc/45/31/17/522453117.db2.gz XIFIEWBIRRYQDW-SECBINFHSA-N 0 3 251.280 2.490 10 0 CEAEHN CCn1cncc1[C@@H](CN)N(C)Cc1ccccc1C ZINC000090174499 517884230 /nfs/dbraw/zinc/88/42/30/517884230.db2.gz QBCMOOZQRZQBES-OAHLLOKOSA-N 0 3 272.396 2.343 10 0 CEAEHN COc1cccc(NC(=O)CNCCC(C)C)c1 ZINC000020047149 518166449 /nfs/dbraw/zinc/16/64/49/518166449.db2.gz NRCRLDJSYPCPMP-UHFFFAOYSA-N 0 3 250.342 2.269 10 0 CEAEHN CC(C)(C)NCc1ccoc1CN1CCN(C2CC2)CC1 ZINC000052371296 518765885 /nfs/dbraw/zinc/76/58/85/518765885.db2.gz LCBYJRHZUHACPI-UHFFFAOYSA-N 0 3 291.439 2.448 10 0 CEAEHN CC(C)(C)c1ccc([C@H](N)Cn2ncccc2=O)cc1 ZINC000061402852 519050120 /nfs/dbraw/zinc/05/01/20/519050120.db2.gz NQAPQVJYIADVAI-CQSZACIVSA-N 0 3 271.364 2.241 10 0 CEAEHN CC(C)(C)c1cccc(OCC[C@H](NC2CC2)C(N)=O)c1 ZINC000062594661 519055592 /nfs/dbraw/zinc/05/55/92/519055592.db2.gz XFDCCIRZXVDVLH-HNNXBMFYSA-N 0 3 290.407 2.359 10 0 CEAEHN CC(C)C[C@H](CN(C)C)Nc1ncnc2c1CCC2 ZINC000061277228 519344710 /nfs/dbraw/zinc/34/47/10/519344710.db2.gz MUKBOWPSEFCOFE-GFCCVEGCSA-N 0 3 262.401 2.354 10 0 CEAEHN CC(C)N(CCNc1nccn(C(C)C)c1=O)C(C)C ZINC000061762075 519648623 /nfs/dbraw/zinc/64/86/23/519648623.db2.gz NQZXZELXDOPGRQ-UHFFFAOYSA-N 0 3 280.416 2.355 10 0 CEAEHN CC(C)NCc1cc2ccccc2nc1N1CC[C@@H](O)C1 ZINC000061711287 519726768 /nfs/dbraw/zinc/72/67/68/519726768.db2.gz RZDHYNJRBWAYAY-OAHLLOKOSA-N 0 3 285.391 2.304 10 0 CEAEHN CC(C)CN1CCN([C@@H]2CNc3ccccc3C2)CC1 ZINC000055079706 519727818 /nfs/dbraw/zinc/72/78/18/519727818.db2.gz JGQMNNBEAQQIAS-INIZCTEOSA-N 0 3 273.424 2.297 10 0 CEAEHN CC(C)N[C@@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451260 519733931 /nfs/dbraw/zinc/73/39/31/519733931.db2.gz RKKGATPRUYAUMC-AWEZNQCLSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)N[C@@H](CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451260 519733933 /nfs/dbraw/zinc/73/39/33/519733933.db2.gz RKKGATPRUYAUMC-AWEZNQCLSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000062530956 519734164 /nfs/dbraw/zinc/73/41/64/519734164.db2.gz BATMTDIGWRVEKV-HOTGVXAUSA-N 0 3 290.407 2.317 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443529 519734187 /nfs/dbraw/zinc/73/41/87/519734187.db2.gz IEGGHCSMJVVXMX-AVGNSLFASA-N 0 3 256.390 2.091 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccc(OC(C)C)cc1 ZINC000054744345 519748846 /nfs/dbraw/zinc/74/88/46/519748846.db2.gz XQVBUETYLGRELO-UHFFFAOYSA-N 0 3 289.383 2.195 10 0 CEAEHN CC(C)[C@@H](CNS(=O)(=O)c1ccccc1)N1CCCC1 ZINC000049736713 519795026 /nfs/dbraw/zinc/79/50/26/519795026.db2.gz NWEDTUKTTNDMCF-OAHLLOKOSA-N 0 3 296.436 2.085 10 0 CEAEHN CC(C)[C@@H]1CC[C@H](C)c2c(N3CCNCC3)n[nH]c21 ZINC000062670035 519803347 /nfs/dbraw/zinc/80/33/47/519803347.db2.gz AYFHULBOIPESKI-RYUDHWBXSA-N 0 3 262.401 2.456 10 0 CEAEHN CCCC1CCN(C[C@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069231652 519902141 /nfs/dbraw/zinc/90/21/41/519902141.db2.gz YWGOBGUDAGELHS-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1[C@@H](C)O ZINC000061299081 519908063 /nfs/dbraw/zinc/90/80/63/519908063.db2.gz CYAHMQKYCCJJBS-SNVBAGLBSA-N 0 3 250.342 2.067 10 0 CEAEHN CCCNCc1ccoc1CN(CCOC)[C@@H](C)COC ZINC000052572316 519958351 /nfs/dbraw/zinc/95/83/51/519958351.db2.gz UZMRZJLWYKLLJJ-AWEZNQCLSA-N 0 3 298.427 2.263 10 0 CEAEHN CCCNCc1coc(CN(C)[C@@H](C)COC)c1 ZINC000052511757 519964952 /nfs/dbraw/zinc/96/49/52/519964952.db2.gz VAIPGRNCIMQICY-LBPRGKRZSA-N 0 3 254.374 2.246 10 0 CEAEHN CCCNCc1occc1CN(CCOC)[C@@H](C)COC ZINC000052572348 519973419 /nfs/dbraw/zinc/97/34/19/519973419.db2.gz PXULLAQSHMTVFZ-AWEZNQCLSA-N 0 3 298.427 2.263 10 0 CEAEHN CCNCc1c(C)nn([C@H]2CCCC[C@H]2O)c1C ZINC000054599984 519985587 /nfs/dbraw/zinc/98/55/87/519985587.db2.gz BQPHHUWEWZGBRY-UONOGXRCSA-N 0 3 251.374 2.085 10 0 CEAEHN CCNCc1ccoc1CN(CC)[C@@H](C)COC ZINC000052504760 520010871 /nfs/dbraw/zinc/01/08/71/520010871.db2.gz GJNXEPXMENTPGP-LBPRGKRZSA-N 0 3 254.374 2.246 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)c(C)c1)[C@@H]1COCCO1 ZINC000055300740 520017312 /nfs/dbraw/zinc/01/73/12/520017312.db2.gz JRCSIKFGQYOOGW-HOTGVXAUSA-N 0 3 279.380 2.460 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCc3nc(C)no3)ccc21 ZINC000062805053 520027675 /nfs/dbraw/zinc/02/76/75/520027675.db2.gz PNQSKVNFCNBJRM-CYBMUJFWSA-N 0 3 289.335 2.390 10 0 CEAEHN CCCN[C@@](CN(CC)C1CC1)(C(=O)OCC)C1CC1 ZINC000069097895 520048877 /nfs/dbraw/zinc/04/88/77/520048877.db2.gz HVOUXZYDIPFDDI-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCN[C@@H](C)c1cccc(S(=O)(=O)NC2CCC2)c1 ZINC000052212683 520078158 /nfs/dbraw/zinc/07/81/58/520078158.db2.gz VGWDUYLTQYCCRP-NSHDSACASA-N 0 3 282.409 2.188 10 0 CEAEHN CCN[C@@H](CCN1CCCC(C)(C)C1)C(=O)OCC ZINC000069517036 520089233 /nfs/dbraw/zinc/08/92/33/520089233.db2.gz JCUOWFJLAOEORR-ZDUSSCGKSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@H](c1ccc(F)cc1F)[C@H]1COCCO1 ZINC000055300071 520109797 /nfs/dbraw/zinc/10/97/97/520109797.db2.gz XZEIUFBPHLCJJP-OLZOCXBDSA-N 0 3 257.280 2.031 10 0 CEAEHN CCN[C@@H](c1ccc(OC)c(C)c1)[C@@H]1COCCO1 ZINC000055300286 520110073 /nfs/dbraw/zinc/11/00/73/520110073.db2.gz TTZOLGUHRSAMEA-GJZGRUSLSA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@@H](c1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000050544505 520110340 /nfs/dbraw/zinc/11/03/40/520110340.db2.gz TUNCEZTUBUHFJC-JSGCOSHPSA-N 0 3 285.384 2.219 10 0 CEAEHN CCN[C@@H](c1ccccc1)[C@@H](CC)S(C)(=O)=O ZINC000054930461 520113353 /nfs/dbraw/zinc/11/33/53/520113353.db2.gz OGFOVIKVKPADNO-OLZOCXBDSA-N 0 3 255.383 2.160 10 0 CEAEHN CCC[NH2+][C@](C)(C[C@H](C)N1CCCCC1)C(=O)[O-] ZINC000068620376 520113758 /nfs/dbraw/zinc/11/37/58/520113758.db2.gz SEKPGRBXDUAMDF-GXTWGEPZSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@](CN(CC)C1CC1)(C(=O)OCC)C1CC1 ZINC000069097891 520119622 /nfs/dbraw/zinc/11/96/22/520119622.db2.gz HVOUXZYDIPFDDI-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCCCC[C@@H](C)OCC[C@H](NC1CC1)C(N)=O ZINC000062542718 520120306 /nfs/dbraw/zinc/12/03/06/520120306.db2.gz GPIBLVBLZNCKBX-OCCSQVGLSA-N 0 3 270.417 2.358 10 0 CEAEHN CCCCCC[C@H](C)N[C@@H]1CC(=O)N(C2CC2)C1=O ZINC000049200104 520130608 /nfs/dbraw/zinc/13/06/08/520130608.db2.gz SYRIXMSPUNUVGN-WCQYABFASA-N 0 3 266.385 2.225 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1ccccc1OCC)C(N)=O ZINC000068655389 520141247 /nfs/dbraw/zinc/14/12/47/520141247.db2.gz HVMKCLHPHXUZKQ-WBMJQRKESA-N 0 3 294.395 2.096 10 0 CEAEHN CCCNc1cccc(C(=O)N2CCC[C@@H]2CN(C)C)n1 ZINC000061656007 520172401 /nfs/dbraw/zinc/17/24/01/520172401.db2.gz BVWWETHVYOPBLL-CYBMUJFWSA-N 0 3 290.411 2.070 10 0 CEAEHN CCCCC[N@H+](CC[C@@H](NCC)C(=O)[O-])C(C)C ZINC000062463210 520174386 /nfs/dbraw/zinc/17/43/86/520174386.db2.gz GJLMXBAVRSQNTQ-CYBMUJFWSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCCC[N@@H+](CC[C@@H](NCC)C(=O)[O-])C(C)C ZINC000062463210 520174391 /nfs/dbraw/zinc/17/43/91/520174391.db2.gz GJLMXBAVRSQNTQ-CYBMUJFWSA-N 0 3 258.406 2.340 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904549 520181640 /nfs/dbraw/zinc/18/16/40/520181640.db2.gz VFDQKNYQKLMTNM-SNVBAGLBSA-N 0 3 269.414 2.429 10 0 CEAEHN CCCNc1ncc(C(=O)NC[C@H](C)N(C)C)cc1Cl ZINC000050780024 520189725 /nfs/dbraw/zinc/18/97/25/520189725.db2.gz LELJSFABYQCJIP-JTQLQIEISA-N 0 3 298.818 2.237 10 0 CEAEHN CCCNc1ncccc1C(=O)N1CCC[C@H]1CN(C)C ZINC000061655992 520193026 /nfs/dbraw/zinc/19/30/26/520193026.db2.gz BEZHKUGEGJMRHN-ZDUSSCGKSA-N 0 3 290.411 2.070 10 0 CEAEHN CCN[C@H](c1ccc(Cl)s1)[C@@H]1COCCO1 ZINC000055300154 520208413 /nfs/dbraw/zinc/20/84/13/520208413.db2.gz KOMCAIXWMZSGRX-KWQFWETISA-N 0 3 261.774 2.468 10 0 CEAEHN CCN[C@](CSCc1ccccc1C)(C(N)=O)C1CC1 ZINC000069189790 520252171 /nfs/dbraw/zinc/25/21/71/520252171.db2.gz JMNPVQFQBPMCNE-INIZCTEOSA-N 0 3 292.448 2.472 10 0 CEAEHN CCNc1ccnc(C(=O)N(CCN(C)C)CC(C)C)c1 ZINC000050774376 520343202 /nfs/dbraw/zinc/34/32/02/520343202.db2.gz FQFQNQSHJPMCFR-UHFFFAOYSA-N 0 3 292.427 2.173 10 0 CEAEHN CCNc1ncccc1CN1CCN(CC(C)C)CC1 ZINC000055081545 520379036 /nfs/dbraw/zinc/37/90/36/520379036.db2.gz OZIXAKYPXZKXIS-UHFFFAOYSA-N 0 3 276.428 2.287 10 0 CEAEHN CCCCN(CC)Cc1ccnc(C(N)=S)c1 ZINC000068751735 520479741 /nfs/dbraw/zinc/47/97/41/520479741.db2.gz BOGCPVRJWHSETC-UHFFFAOYSA-N 0 3 251.399 2.338 10 0 CEAEHN CC[NH+](CC)CCc1nc(C)c(C(C)C)c(=O)[n-]1 ZINC000061688240 520711051 /nfs/dbraw/zinc/71/10/51/520711051.db2.gz INAGCZPKRYDVPJ-UHFFFAOYSA-N 0 3 251.374 2.086 10 0 CEAEHN CCN(CC)C[C@@H](C)Nc1nccn(C(C)(C)C)c1=O ZINC000061766141 520722308 /nfs/dbraw/zinc/72/23/08/520722308.db2.gz SFATVQARWRONIR-GFCCVEGCSA-N 0 3 280.416 2.141 10 0 CEAEHN CCOC(=O)[C@@H](C(C)C)C1(O)CCN(C(C)C)CC1 ZINC000052254671 520999392 /nfs/dbraw/zinc/99/93/92/520999392.db2.gz SOJAHDZWULJRIZ-CYBMUJFWSA-N 0 3 271.401 2.057 10 0 CEAEHN CCC[C@H](NC(=O)[C@@H](N)CCOC)c1cccs1 ZINC000052810140 521136881 /nfs/dbraw/zinc/13/68/81/521136881.db2.gz AMGZCJJUIKUOCX-QWRGUYRKSA-N 0 3 270.398 2.069 10 0 CEAEHN CCOC(=O)[C@@](C)(C[C@@H](C)N1CCCCC1)NC1CC1 ZINC000068620331 521146967 /nfs/dbraw/zinc/14/69/67/521146967.db2.gz LZYWACPSFCCKQL-CZUORRHYSA-N 0 3 282.428 2.325 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCC(CC)CC1)NC(C)C ZINC000062526332 521244688 /nfs/dbraw/zinc/24/46/88/521244688.db2.gz PPKHIAJCJQFKDX-HNNXBMFYSA-N 0 3 284.444 2.428 10 0 CEAEHN CCOC(=O)[C@H](N)CCN1CCC2(CCCCC2)CC1 ZINC000062532933 521258636 /nfs/dbraw/zinc/25/86/36/521258636.db2.gz ZROCYMBTEFUMFB-CQSZACIVSA-N 0 3 282.428 2.313 10 0 CEAEHN CCOc1ccc([C@H](N)CO[C@@H](C)COC)cc1 ZINC000070206773 521263840 /nfs/dbraw/zinc/26/38/40/521263840.db2.gz CNJVAQLXCIWOIC-SMDDNHRTSA-N 0 3 253.342 2.137 10 0 CEAEHN CCN(C[C@H]1CCCO1)c1ccccc1CNCCOC ZINC000062737159 521271695 /nfs/dbraw/zinc/27/16/95/521271695.db2.gz YDQGEJWQDNJWIV-MRXNPFEDSA-N 0 3 292.423 2.428 10 0 CEAEHN CCC[C@](C)(N)C(=O)Nc1ccccc1[C@H](C)O ZINC000049547230 521278835 /nfs/dbraw/zinc/27/88/35/521278835.db2.gz APGVVSRJPMHABI-HZMBPMFUSA-N 0 3 250.342 2.196 10 0 CEAEHN CCN1C(=O)C[C@@H](N[C@@H](c2cccs2)C(C)C)C1=O ZINC000049554877 521522076 /nfs/dbraw/zinc/52/20/76/521522076.db2.gz QJOKYFCLTBUFLJ-ZWNOBZJWSA-N 0 3 280.393 2.182 10 0 CEAEHN CCOC(=O)c1cccnc1N[C@@H](C)CN1CCCC1 ZINC000049184162 521560123 /nfs/dbraw/zinc/56/01/23/521560123.db2.gz ABWQAANDXFXSIK-LBPRGKRZSA-N 0 3 277.368 2.155 10 0 CEAEHN CCOc1ccccc1[C@H](N)CO[C@H](C)COC ZINC000070205792 521588870 /nfs/dbraw/zinc/58/88/70/521588870.db2.gz KGDRGNXLMZNRRA-DGCLKSJQSA-N 0 3 253.342 2.137 10 0 CEAEHN CCN1CCC[C@H](Nc2nc(Cl)nc(OC(C)C)n2)C1 ZINC000061539209 521649543 /nfs/dbraw/zinc/64/95/43/521649543.db2.gz SHLJQAMZQCYCML-JTQLQIEISA-N 0 3 299.806 2.208 10 0 CEAEHN CCN1CCN(Cc2csc(CNC(C)(C)C)n2)CC1 ZINC000052422192 521690084 /nfs/dbraw/zinc/69/00/84/521690084.db2.gz GSOTXXNQFCOMNF-UHFFFAOYSA-N 0 3 296.484 2.169 10 0 CEAEHN CC(C)(C)CCOc1cncc(N2CCNCC2)c1 ZINC000070488139 534589036 /nfs/dbraw/zinc/58/90/36/534589036.db2.gz QOLBIHUBFUCEAC-UHFFFAOYSA-N 0 3 263.385 2.306 10 0 CEAEHN CC[C@@H](C(=O)N1[C@@H](C)CNC[C@@H]1C)c1ccccc1 ZINC000069132834 521826874 /nfs/dbraw/zinc/82/68/74/521826874.db2.gz YQJHKCNZDMCFDB-KCQAQPDRSA-N 0 3 260.381 2.389 10 0 CEAEHN CC[C@H](C)c1ccccc1OCC[C@H](NC)C(N)=O ZINC000062551082 522048013 /nfs/dbraw/zinc/04/80/13/522048013.db2.gz RNASOCXZEGKPHM-AAEUAGOBSA-N 0 3 264.369 2.042 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2ccc(N)c(C)c2)CC1 ZINC000055083460 522126145 /nfs/dbraw/zinc/12/61/45/522126145.db2.gz CJXYCPQJFMOBEV-CQSZACIVSA-N 0 3 261.413 2.493 10 0 CEAEHN CNCc1ccccc1OCCOCC(F)(F)F ZINC000049310607 522140035 /nfs/dbraw/zinc/14/00/35/522140035.db2.gz RUGXKDGCLNEXME-UHFFFAOYSA-N 0 3 263.259 2.364 10 0 CEAEHN CNCc1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000054901385 522149048 /nfs/dbraw/zinc/14/90/48/522149048.db2.gz NOGTXZZETJVXCU-UHFFFAOYSA-N 0 3 288.420 2.189 10 0 CEAEHN CNCc1cnn(Cc2cccc(Br)c2)c1 ZINC000054719130 522149848 /nfs/dbraw/zinc/14/98/48/522149848.db2.gz KYLCTKWNFQWFDE-UHFFFAOYSA-N 0 3 280.169 2.413 10 0 CEAEHN COC[C@@H](C)N(C)Cc1csc(CNCC(C)C)n1 ZINC000052511282 522220007 /nfs/dbraw/zinc/22/00/07/522220007.db2.gz LFVFTDWWEMIHNU-GFCCVEGCSA-N 0 3 285.457 2.355 10 0 CEAEHN CCc1nc(N(C)C(C)C)sc1CNCCOC ZINC000054995840 522379106 /nfs/dbraw/zinc/37/91/06/522379106.db2.gz ATZOBLGAJFCXHM-UHFFFAOYSA-N 0 3 271.430 2.286 10 0 CEAEHN CCc1nc(N(C)C2CC2)sc1CNCCOC ZINC000054996459 522379265 /nfs/dbraw/zinc/37/92/65/522379265.db2.gz LOMVKGYQVGWHFU-UHFFFAOYSA-N 0 3 269.414 2.040 10 0 CEAEHN CCc1nc(NC(=O)[C@](C)(N)C2CC2)sc1C ZINC000049184684 522404876 /nfs/dbraw/zinc/40/48/76/522404876.db2.gz AJTDCFVJEIPAFB-GFCCVEGCSA-N 0 3 253.371 2.080 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)Oc1cc(C)cc(C)c1C)C(N)=O ZINC000068657197 522415886 /nfs/dbraw/zinc/41/58/86/522415886.db2.gz HRZOCIOHBMYIRL-WBMJQRKESA-N 0 3 278.396 2.233 10 0 CEAEHN CN[C@@](COc1ccc(C(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197020 522431133 /nfs/dbraw/zinc/43/11/33/522431133.db2.gz PHMIXWLIQCVACZ-MRXNPFEDSA-N 0 3 276.380 2.042 10 0 CEAEHN CN[C@@](COc1cccc2ccccc21)(C(N)=O)C1CC1 ZINC000069197726 522431254 /nfs/dbraw/zinc/43/12/54/522431254.db2.gz ZGWFMMLKQVQRLU-QGZVFWFLSA-N 0 3 284.359 2.072 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000052395616 522438030 /nfs/dbraw/zinc/43/80/30/522438030.db2.gz BLCNBGMWQSCQHG-DTWKUNHWSA-N 0 3 285.185 2.234 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCC(=O)NC(C)C ZINC000062746596 522446703 /nfs/dbraw/zinc/44/67/03/522446703.db2.gz ZUPZBVRBLVPBMI-SNVBAGLBSA-N 0 3 268.332 2.010 10 0 CEAEHN CN[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000061626929 522502554 /nfs/dbraw/zinc/50/25/54/522502554.db2.gz LYZMFDKTZCQGND-NSHDSACASA-N 0 3 272.270 2.026 10 0 CEAEHN COC1CCN([C@H](CN)c2cc(F)c(F)c(F)c2)CC1 ZINC000062709898 522706477 /nfs/dbraw/zinc/70/64/77/522706477.db2.gz CQDZFGDOBCAFGS-CYBMUJFWSA-N 0 3 288.313 2.215 10 0 CEAEHN CNc1ncccc1CN(CCOC)[C@H](C)C1CC1 ZINC000052728510 522709325 /nfs/dbraw/zinc/70/93/25/522709325.db2.gz YWWNKDPZJBYZSU-GFCCVEGCSA-N 0 3 263.385 2.370 10 0 CEAEHN COC[C@H](O)COc1ccc(Cl)cc1CNC(C)C ZINC000069053453 522809184 /nfs/dbraw/zinc/80/91/84/522809184.db2.gz YOGUGGSUWAEOBJ-ZDUSSCGKSA-N 0 3 287.787 2.224 10 0 CEAEHN CC[C@H](Oc1ccc(Cl)cc1[C@H](C)NC)C(N)=O ZINC000061676046 522873847 /nfs/dbraw/zinc/87/38/47/522873847.db2.gz KXHVPZJAFKIAMZ-KWQFWETISA-N 0 3 270.760 2.263 10 0 CEAEHN COc1cc([C@@H](N)c2cncnc2)cc(Cl)c1OC ZINC000052887272 522912440 /nfs/dbraw/zinc/91/24/40/522912440.db2.gz NMMRROFMTXDLCR-GFCCVEGCSA-N 0 3 279.727 2.195 10 0 CEAEHN CC[C@@H](Oc1ccc(Cl)cc1[C@@H](C)NC)C(N)=O ZINC000061676045 523043098 /nfs/dbraw/zinc/04/30/98/523043098.db2.gz KXHVPZJAFKIAMZ-LDYMZIIASA-N 0 3 270.760 2.263 10 0 CEAEHN CC[C@H]1CCCC[C@@H]1OC[C@](NC1CC1)(C(N)=O)C1CC1 ZINC000069195866 523050810 /nfs/dbraw/zinc/05/08/10/523050810.db2.gz AGRJNYZTHTYFJQ-YLQAJVPDSA-N 0 3 294.439 2.358 10 0 CEAEHN CN(Cc1ccc(O)cc1)C(=O)[C@@H](CN)c1ccccc1 ZINC000061612201 523267197 /nfs/dbraw/zinc/26/71/97/523267197.db2.gz GTGQHMVIIZBYQR-INIZCTEOSA-N 0 3 284.359 2.093 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1nc(C)c([C@@H](C)N)s1 ZINC000054898141 523510245 /nfs/dbraw/zinc/51/02/45/523510245.db2.gz NLWYECRMOWJASB-IQJOONFLSA-N 0 3 269.414 2.475 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1Cc1cc(CNC)c(C)o1 ZINC000052570901 523516846 /nfs/dbraw/zinc/51/68/46/523516846.db2.gz ABCCAKXZNCJHDW-BXUZGUMPSA-N 0 3 266.385 2.307 10 0 CEAEHN COCCN(C)CCNc1ccc(N)cc1C(F)(F)F ZINC000061378028 523615181 /nfs/dbraw/zinc/61/51/81/523615181.db2.gz NLRCHDWJUQDPAM-UHFFFAOYSA-N 0 3 291.317 2.278 10 0 CEAEHN COCCN(C)Cc1cc(CNC(C)C)oc1C ZINC000052572952 523621324 /nfs/dbraw/zinc/62/13/24/523621324.db2.gz CXCXSSCTSFLHQE-UHFFFAOYSA-N 0 3 254.374 2.164 10 0 CEAEHN COCCN(CCOC)Cc1ccoc1CNC(C)(C)C ZINC000052571516 523719774 /nfs/dbraw/zinc/71/97/74/523719774.db2.gz OAQWCERSSYUJPX-UHFFFAOYSA-N 0 3 298.427 2.263 10 0 CEAEHN CN1CCCN(c2cccc(Cl)c2C(N)=S)CC1 ZINC000052904389 523813079 /nfs/dbraw/zinc/81/30/79/523813079.db2.gz MRTVYRCJQDDWMG-UHFFFAOYSA-N 0 3 283.828 2.116 10 0 CEAEHN CC[C@H](C)CN(C)Cc1ccnc(C(N)=S)c1 ZINC000068751944 523869123 /nfs/dbraw/zinc/86/91/23/523869123.db2.gz FPPYDTPZNHPRSG-JTQLQIEISA-N 0 3 251.399 2.194 10 0 CEAEHN COCCNC(=O)CCNCc1ccc2ccccc2c1 ZINC000067221367 523889887 /nfs/dbraw/zinc/88/98/87/523889887.db2.gz LAOBCPZNIYJRPX-UHFFFAOYSA-N 0 3 286.375 2.082 10 0 CEAEHN CC[C@H](C)Cn1nc(C)c(CNCCOC)c1C ZINC000054717700 523907734 /nfs/dbraw/zinc/90/77/34/523907734.db2.gz VRSHXWXWNNWOEX-NSHDSACASA-N 0 3 253.390 2.282 10 0 CEAEHN COCCNCc1c(OC[C@@H](C)O)ccc2ccccc21 ZINC000062732178 523949349 /nfs/dbraw/zinc/94/93/49/523949349.db2.gz YWXXDEYDKJFKAI-CYBMUJFWSA-N 0 3 289.375 2.335 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@@H]2CCCCC2=O)CC1 ZINC000055071468 523954036 /nfs/dbraw/zinc/95/40/36/523954036.db2.gz DTQVAQVTBWVQGF-KBPBESRZSA-N 0 3 252.402 2.162 10 0 CEAEHN COCCNCc1ccccc1N(CCOC)C1CC1 ZINC000062737392 523955842 /nfs/dbraw/zinc/95/58/42/523955842.db2.gz SVMITJZQTMNXSB-UHFFFAOYSA-N 0 3 278.396 2.038 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@H]2CNc3ccccc3O2)CC1 ZINC000055083412 523955951 /nfs/dbraw/zinc/95/59/51/523955951.db2.gz IMXMKEHIHYVFGB-LSDHHAIUSA-N 0 3 289.423 2.276 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2ccc(NC)nc2)CC1 ZINC000055071170 523957009 /nfs/dbraw/zinc/95/70/09/523957009.db2.gz VPIGYIPTQLADKE-ZDUSSCGKSA-N 0 3 262.401 2.039 10 0 CEAEHN COCCNCc1nc(C)c(-c2ccc(F)cc2)[nH]1 ZINC000069236650 523957527 /nfs/dbraw/zinc/95/75/27/523957527.db2.gz NMOMLFRZWYQIGQ-UHFFFAOYSA-N 0 3 263.316 2.260 10 0 CEAEHN COCCNCc1sc(N(C)CC(F)(F)F)nc1C ZINC000054998067 523958741 /nfs/dbraw/zinc/95/87/41/523958741.db2.gz WHVPRUAYALDJGQ-UHFFFAOYSA-N 0 3 297.346 2.186 10 0 CEAEHN CO[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C)cc1 ZINC000050373577 523980710 /nfs/dbraw/zinc/98/07/10/523980710.db2.gz SGHQACOVESOXPF-KBPBESRZSA-N 0 3 262.353 2.091 10 0 CEAEHN COC(=O)[C@](CN1CCC(C)(C)CC1)(NC1CC1)C1CC1 ZINC000069232020 524004429 /nfs/dbraw/zinc/00/44/29/524004429.db2.gz VOUQUXRQTHOEPU-QGZVFWFLSA-N 0 3 294.439 2.182 10 0 CEAEHN CC[C@H](C)N[C@]1(C(N)=O)CCCc2sccc21 ZINC000061329944 524005882 /nfs/dbraw/zinc/00/58/82/524005882.db2.gz ODGDOADINUSIFM-TVQRCGJNSA-N 0 3 252.383 2.153 10 0 CEAEHN Cc1cccc(C)c1NC(=O)c1ccnc(NN)c1 ZINC000051112600 524297781 /nfs/dbraw/zinc/29/77/81/524297781.db2.gz OSRYIPIONRBAPX-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN Cc1cccc(C)c1NC(=O)c1cc[nH]c(=NN)c1 ZINC000051112600 524297790 /nfs/dbraw/zinc/29/77/90/524297790.db2.gz OSRYIPIONRBAPX-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN C[C@H](CN1CCCC1)NCC(=O)Nc1ccccc1Cl ZINC000049180349 524315735 /nfs/dbraw/zinc/31/57/35/524315735.db2.gz AXOZZYJIVGZBBF-GFCCVEGCSA-N 0 3 295.814 2.352 10 0 CEAEHN C[C@H](CN1CCCC1)N1C(=S)N=NC1c1cccnc1 ZINC000049184528 524322366 /nfs/dbraw/zinc/32/23/66/524322366.db2.gz WBIZSVHVDSJEIH-LLVKDONJSA-N 0 3 289.408 2.286 10 0 CEAEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(Cl)cc1N ZINC000050443138 524389848 /nfs/dbraw/zinc/38/98/48/524389848.db2.gz ARFOSESMCWBTEG-ONGXEEELSA-N 0 3 281.787 2.008 10 0 CEAEHN C[C@H](CNc1ncnc2c1CCC2)N1CCCCC1 ZINC000061276937 524515115 /nfs/dbraw/zinc/51/51/15/524515115.db2.gz SBZWMBPRPJHAPP-GFCCVEGCSA-N 0 3 260.385 2.252 10 0 CEAEHN COc1ccccc1Cc1ncc2c(n1)CCC[C@@H]2N ZINC000050094094 524518451 /nfs/dbraw/zinc/51/84/51/524518451.db2.gz AYSBWLUXANGBMO-ZDUSSCGKSA-N 0 3 269.348 2.412 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N(CCN(C)C)c2ccccc2)O1 ZINC000151081440 524553284 /nfs/dbraw/zinc/55/32/84/524553284.db2.gz HNESNWQXAYMCOI-HIFRSBDPSA-N 0 3 276.380 2.149 10 0 CEAEHN C[C@@H](CN1CCCC1)N1C(=S)N=NC1c1ccncc1 ZINC000049184525 524595249 /nfs/dbraw/zinc/59/52/49/524595249.db2.gz OLQKJYDQRULWNX-NSHDSACASA-N 0 3 289.408 2.286 10 0 CEAEHN C[C@H]1CN(c2nc(CN)cc3ccccc32)CCCO1 ZINC000061935283 524675317 /nfs/dbraw/zinc/67/53/17/524675317.db2.gz JWCNNDPLFYUALP-LBPRGKRZSA-N 0 3 271.364 2.309 10 0 CEAEHN Cc1cc(CN2CCO[C@H]3CCCC[C@@H]32)oc1CN ZINC000052573144 524699411 /nfs/dbraw/zinc/69/94/11/524699411.db2.gz FHHANTFCYJNLCE-KBPBESRZSA-N 0 3 264.369 2.190 10 0 CEAEHN Cc1cc(CNC2CC2)nc(N2CCCCCC2)n1 ZINC000054831850 524752907 /nfs/dbraw/zinc/75/29/07/524752907.db2.gz GMHZDBNAVRXIFV-UHFFFAOYSA-N 0 3 260.385 2.417 10 0 CEAEHN C[C@H]([NH3+])[C@@]([O-])(c1ccc(F)c(F)c1F)C(F)(F)F ZINC000062784773 524847749 /nfs/dbraw/zinc/84/77/49/524847749.db2.gz YESHPFDKCCHYAN-AJAUBTJJSA-N 0 3 273.176 2.201 10 0 CEAEHN C[C@H](N)c1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000054864481 524868588 /nfs/dbraw/zinc/86/85/88/524868588.db2.gz SAGJFMSXPUBHIL-LBPRGKRZSA-N 0 3 288.420 2.489 10 0 CEAEHN C[C@@H](N)c1cc(Cl)ccc1O[C@H](C)C(=O)NC1CC1 ZINC000050209213 525023737 /nfs/dbraw/zinc/02/37/37/525023737.db2.gz QCRBDFRQPDQVPF-RKDXNWHRSA-N 0 3 282.771 2.406 10 0 CEAEHN C[C@@H]1CN(Cc2nc(NN)ccc2Cl)CC(C)(C)O1 ZINC000061638325 525032404 /nfs/dbraw/zinc/03/24/04/525032404.db2.gz ODCSXUFPWOSGRJ-SECBINFHSA-N 0 3 284.791 2.020 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1nccc2ccccc21 ZINC000069132926 525100785 /nfs/dbraw/zinc/10/07/85/525100785.db2.gz DJSFWFBKRGQVSA-TXEJJXNPSA-N 0 3 269.348 2.057 10 0 CEAEHN C[C@@H](NCc1cc(F)cc2c1OCOC2)[C@H]1CCCO1 ZINC000183190583 525514816 /nfs/dbraw/zinc/51/48/16/525514816.db2.gz LKEGOBXPWIRNQC-QMTHXVAHSA-N 0 3 281.327 2.349 10 0 CEAEHN Cc1cc([C@H](CN)N2CCOCC2(C)C)ccc1F ZINC000050546291 525536973 /nfs/dbraw/zinc/53/69/73/525536973.db2.gz XOYUYCBDTATROC-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN Cc1cccnc1NC(=O)[C@H](CN)c1ccccc1 ZINC000061611010 525542491 /nfs/dbraw/zinc/54/24/91/525542491.db2.gz LCZQAQFRDZYVSS-CYBMUJFWSA-N 0 3 255.321 2.071 10 0 CEAEHN CSC[C@H](C)CNC1CN(C(=O)OC(C)(C)C)C1 ZINC000069435667 525680537 /nfs/dbraw/zinc/68/05/37/525680537.db2.gz UQPZWZFIWHAUQE-SNVBAGLBSA-N 0 3 274.430 2.194 10 0 CEAEHN Cc1c(Cl)cccc1NS(=O)(=O)[C@H]1CCCNC1 ZINC000049640668 525779553 /nfs/dbraw/zinc/77/95/53/525779553.db2.gz WVBRDAKSNXEKOX-JTQLQIEISA-N 0 3 288.800 2.142 10 0 CEAEHN Cc1ccc(=O)n(C[C@@H](N)c2ccc(C(C)C)cc2)n1 ZINC000061810409 525976611 /nfs/dbraw/zinc/97/66/11/525976611.db2.gz PTJFVJLKZYLIBY-OAHLLOKOSA-N 0 3 271.364 2.375 10 0 CEAEHN c1c(N2CCNCC2)n[nH]c1-c1cc2ccccc2o1 ZINC000062669858 526401280 /nfs/dbraw/zinc/40/12/80/526401280.db2.gz HZYOQWJCUMAZBD-UHFFFAOYSA-N 0 3 268.320 2.233 10 0 CEAEHN Cc1nc(-c2cnccn2)nc(C)c1CNC(C)C ZINC000054854324 526620775 /nfs/dbraw/zinc/62/07/75/526620775.db2.gz IVBKLKAEQUPIOJ-UHFFFAOYSA-N 0 3 257.341 2.048 10 0 CEAEHN O=C(c1ccc2c(c1)CNC2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000156711881 526723773 /nfs/dbraw/zinc/72/37/73/526723773.db2.gz FEXNTYZQFGNJBD-JKSUJKDBSA-N 0 3 286.375 2.073 10 0 CEAEHN Cc1oc(CN2CCN(C)CC2)cc1CNC(C)(C)C ZINC000052379317 526771057 /nfs/dbraw/zinc/77/10/57/526771057.db2.gz AKZSPNSGRGTYLI-UHFFFAOYSA-N 0 3 279.428 2.224 10 0 CEAEHN N=C(N)c1cc(CN2CCCc3ccccc3C2)ccn1 ZINC000068761945 526819087 /nfs/dbraw/zinc/81/90/87/526819087.db2.gz GHQUZRSCCVWMKX-UHFFFAOYSA-N 0 3 280.375 2.314 10 0 CEAEHN N=C(N)c1cc(COc2cc(F)cc(F)c2)ccn1 ZINC000068762735 526819418 /nfs/dbraw/zinc/81/94/18/526819418.db2.gz DDMPXKGIDKIVIS-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN Cc1nc(Cl)cc(NC[C@H]2CCCCN2C)n1 ZINC000052837218 526935168 /nfs/dbraw/zinc/93/51/68/526935168.db2.gz XMYWOWPNLRLTMY-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN Cc1nc(Cl)cc(NC[C@@H]2CCCCN2C)n1 ZINC000052837216 526935221 /nfs/dbraw/zinc/93/52/21/526935221.db2.gz XMYWOWPNLRLTMY-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN NC(=O)[C@@H](CCSc1ccc2c(c1)CCC2)NC1CC1 ZINC000062600478 526953229 /nfs/dbraw/zinc/95/32/29/526953229.db2.gz MKNITDFRXMUZHQ-OAHLLOKOSA-N 0 3 290.432 2.263 10 0 CEAEHN Cc1nc(N2CCN(C(C)C)CC2)sc1[C@@H](C)N ZINC000054895644 526967487 /nfs/dbraw/zinc/96/74/87/526967487.db2.gz AJMNXNRXNRSSGC-SNVBAGLBSA-N 0 3 268.430 2.002 10 0 CEAEHN NC[C@@H](C(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000061611067 527202569 /nfs/dbraw/zinc/20/25/69/527202569.db2.gz DMIZOQBSCCMELF-GFCCVEGCSA-N 0 3 275.739 2.416 10 0 CEAEHN NC[C@@H](c1cc2ccccc2o1)N1CCSCC1 ZINC000068810873 527205846 /nfs/dbraw/zinc/20/58/46/527205846.db2.gz UTUHGHCWOCWOSK-LBPRGKRZSA-N 0 3 262.378 2.481 10 0 CEAEHN NC[C@](O)(c1ccccc1C(F)(F)F)C(F)(F)F ZINC000062784713 527241817 /nfs/dbraw/zinc/24/18/17/527241817.db2.gz GZODXVMICZCNMX-QMMMGPOBSA-N 0 3 273.176 2.414 10 0 CEAEHN NCc1cc(CN2c3ccccc3CCCC2=O)ccn1 ZINC000068750984 527247462 /nfs/dbraw/zinc/24/74/62/527247462.db2.gz MOAGXMRJZOWOKQ-UHFFFAOYSA-N 0 3 281.359 2.410 10 0 CEAEHN NCc1cc(Cl)ccc1OC[C@@H](O)C(F)(F)F ZINC000068875784 527249206 /nfs/dbraw/zinc/24/92/06/527249206.db2.gz PYSVCDOLXJBRAX-SECBINFHSA-N 0 3 269.650 2.101 10 0 CEAEHN NCc1cc2c(nc1Sc1nnc3ccccn31)CCC2 ZINC000061407138 527250899 /nfs/dbraw/zinc/25/08/99/527250899.db2.gz DPMUJPGIQYVQHG-UHFFFAOYSA-N 0 3 297.387 2.223 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000069136521 527301226 /nfs/dbraw/zinc/30/12/26/527301226.db2.gz YBVNRCGBANIQRR-OUAUKWLOSA-N 0 3 299.358 2.274 10 0 CEAEHN N[C@H]1CCCc2nc(N3CCN(CC4CC4)CC3)sc21 ZINC000054898782 527410313 /nfs/dbraw/zinc/41/03/13/527410313.db2.gz CRAQVAXNHXPFOG-LBPRGKRZSA-N 0 3 292.452 2.011 10 0 CEAEHN Cc1ncsc1CCOc1ccc2c(c1)OC[C@@H]2N ZINC000062803615 527491578 /nfs/dbraw/zinc/49/15/78/527491578.db2.gz JHKSDCHINPESPY-LBPRGKRZSA-N 0 3 276.361 2.465 10 0 CEAEHN Nc1ccnc(O[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000061702191 527535519 /nfs/dbraw/zinc/53/55/19/527535519.db2.gz DCIVPDYUUSQIDX-OAHLLOKOSA-N 0 3 269.348 2.317 10 0 CEAEHN Nc1nc2ccccc2cc1CN1CCC(CO)CC1 ZINC000050791819 527560836 /nfs/dbraw/zinc/56/08/36/527560836.db2.gz NMOFBKNWNFBRJJ-UHFFFAOYSA-N 0 3 271.364 2.021 10 0 CEAEHN CC(C)CCC[C@@H](C)NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000173339602 527705298 /nfs/dbraw/zinc/70/52/98/527705298.db2.gz OMXXCYYOLALACC-HZPDHXFCSA-N 0 3 295.471 2.097 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000175877731 528501081 /nfs/dbraw/zinc/50/10/81/528501081.db2.gz NDDXMPIAFDAMOO-MGPQQGTHSA-N 0 3 252.402 2.125 10 0 CEAEHN CC[C@H]1CN(Cc2ccncc2Cl)CCN1C[C@@H](C)O ZINC000173677269 529297604 /nfs/dbraw/zinc/29/76/04/529297604.db2.gz ILDUQLRDDMLERY-OCCSQVGLSA-N 0 3 297.830 2.012 10 0 CEAEHN CCCOc1ccc(CNC(=O)[C@](C)(N)CCC)cn1 ZINC000262720391 535267843 /nfs/dbraw/zinc/26/78/43/535267843.db2.gz YUHCSYMDXVFXJQ-OAHLLOKOSA-N 0 3 279.384 2.004 10 0 CEAEHN CCN[C@H]1CCCN(c2cc(C)cc(F)c2)C1=O ZINC000091527220 535516204 /nfs/dbraw/zinc/51/62/04/535516204.db2.gz DODHZSUJWGZAAR-ZDUSSCGKSA-N 0 3 250.317 2.239 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000262708608 535528605 /nfs/dbraw/zinc/52/86/05/535528605.db2.gz OBYBWYNJEDXUIV-XJKSGUPXSA-N 0 3 295.427 2.296 10 0 CEAEHN CCO[C@H]1CCCN(c2cccc(F)c2CN)C1 ZINC000093395337 535621028 /nfs/dbraw/zinc/62/10/28/535621028.db2.gz RNYZKLLWEQKUQO-NSHDSACASA-N 0 3 252.333 2.290 10 0 CEAEHN CN[C@H](C)c1cc(F)ccc1N1CCC(CC(N)=O)CC1 ZINC000042429277 536406539 /nfs/dbraw/zinc/40/65/39/536406539.db2.gz HDBWJYQEBAGWJX-LLVKDONJSA-N 0 3 293.386 2.198 10 0 CEAEHN COC(=O)[C@H](C)[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000093036270 536642326 /nfs/dbraw/zinc/64/23/26/536642326.db2.gz LDLVIANOGQFRGL-ZIAGYGMSSA-N 0 3 276.380 2.006 10 0 CEAEHN CC1(C)CN[C@]2(CCCSC2)OC12CCOCC2 ZINC000757139859 574510204 /nfs/dbraw/zinc/51/02/04/574510204.db2.gz HUUMUSIBYODMEI-CQSZACIVSA-N 0 3 271.426 2.405 10 0 CEAEHN CCN(C)[S@@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675073778 574511374 /nfs/dbraw/zinc/51/13/74/574511374.db2.gz BDWUISVUBWFKMA-KRWDZBQOSA-N 0 3 253.371 2.125 10 0 CEAEHN CCOCCN1CCN(C/C=C\Cl)C[C@@H]1CC ZINC000255621991 625284327 /nfs/dbraw/zinc/28/43/27/625284327.db2.gz QNHKQSIBWQIHLH-SZZPACECSA-N 0 3 260.809 2.172 10 0 CEAEHN COC(=O)[C@H]1CN(Cc2ccc(F)cc2)C[C@H]1C ZINC000094996431 628888518 /nfs/dbraw/zinc/88/85/18/628888518.db2.gz WAOCKOGQATVUPT-MFKMUULPSA-N 0 3 251.301 2.067 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cnc(Cl)cc1C ZINC000237009183 629149755 /nfs/dbraw/zinc/14/97/55/629149755.db2.gz IOMQHSXPEQVYOY-RDDDGLTNSA-N 0 3 255.749 2.355 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CC2CC2)cc1F ZINC000311363555 639964693 /nfs/dbraw/zinc/96/46/93/639964693.db2.gz PIUQYHMRCQKYEU-YGRLFVJLSA-N 0 3 264.344 2.439 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](N)CC1CC1)c1ccc(F)c(F)c1 ZINC000312028135 639992542 /nfs/dbraw/zinc/99/25/42/639992542.db2.gz XCODPNLELZARDM-OQPBUACISA-N 0 3 268.307 2.269 10 0 CEAEHN COCCNCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000232730935 640018873 /nfs/dbraw/zinc/01/88/73/640018873.db2.gz IVFAWDGNXJEASR-CYBMUJFWSA-N 0 3 286.375 2.253 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000126983245 651041580 /nfs/dbraw/zinc/04/15/80/651041580.db2.gz HDQPIEPIRRDDQH-JSGCOSHPSA-N 0 3 267.394 2.223 10 0 CEAEHN CCCN[C@@H]1c2ccccc2C[C@H]1S(=O)(=O)C(C)C ZINC000081980245 177911022 /nfs/dbraw/zinc/91/10/22/177911022.db2.gz YNQGFBUJGJLGHU-HUUCEWRRSA-N 0 3 281.421 2.475 10 0 CEAEHN Cc1cccc(CS(=O)(=O)[C@H]2CCCC[C@@H]2N)c1 ZINC000081984311 177912155 /nfs/dbraw/zinc/91/21/55/177912155.db2.gz POBBKELIUXSLHQ-KBPBESRZSA-N 0 3 267.394 2.180 10 0 CEAEHN NCc1c(I)cccc1OC1CC1 ZINC000095737868 185023750 /nfs/dbraw/zinc/02/37/50/185023750.db2.gz HXHIWSPPINRNMI-UHFFFAOYSA-N 0 3 289.116 2.291 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCn1cc(Cl)cn1 ZINC000336322436 365556523 /nfs/dbraw/zinc/55/65/23/365556523.db2.gz ZRGAQLMXFBHGSK-OCCSQVGLSA-N 0 3 282.819 2.095 10 0 CEAEHN CC[C@@H]1CN(CCc2ccccc2F)CCN1C[C@@H](C)O ZINC000121374822 365559496 /nfs/dbraw/zinc/55/94/96/365559496.db2.gz JVYYDVIZWSWMAF-GDBMZVCRSA-N 0 3 294.414 2.145 10 0 CEAEHN CC(C)c1cccc(NC(=O)C2(N)CCOCC2)c1 ZINC000127734004 187330316 /nfs/dbraw/zinc/33/03/16/187330316.db2.gz GBZUWWSUUDJGGI-UHFFFAOYSA-N 0 3 262.353 2.256 10 0 CEAEHN CSCC[C@@H](N)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939128 361799359 /nfs/dbraw/zinc/79/93/59/361799359.db2.gz ZQMWTOADHNFAKC-SECBINFHSA-N 0 3 293.392 2.477 10 0 CEAEHN Cc1ccc2c(c1Br)NC[C@]21C[C@H]1N ZINC000725246986 539191953 /nfs/dbraw/zinc/19/19/53/539191953.db2.gz CMFVQWWCTGCQRN-LDYMZIIASA-N 0 3 253.143 2.152 10 0 CEAEHN CCC[C@H](C(=O)NCC(C)(C)c1ccncc1)N(C)C ZINC000091859860 539228485 /nfs/dbraw/zinc/22/84/85/539228485.db2.gz OQIMSGYPNSUHOF-CQSZACIVSA-N 0 3 277.412 2.206 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NC2CCC(C)(C)CC2)C1 ZINC000173912599 282196893 /nfs/dbraw/zinc/19/68/93/282196893.db2.gz WCXMXSQLWGONBA-CYBMUJFWSA-N 0 3 267.417 2.301 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)C(C1CC1)C1CC1 ZINC000126427736 365709530 /nfs/dbraw/zinc/70/95/30/365709530.db2.gz YECRQCVHSRAKSO-AWEZNQCLSA-N 0 3 264.413 2.365 10 0 CEAEHN Cc1ccc([C@@H](C)NCC2(O)CCSCC2)o1 ZINC000675892446 539306605 /nfs/dbraw/zinc/30/66/05/539306605.db2.gz AMFMBBLBXFWAKJ-LLVKDONJSA-N 0 3 255.383 2.497 10 0 CEAEHN C[C@@H](CNC(=O)OCc1ccccc1)N1CCCC1 ZINC000036077126 343422742 /nfs/dbraw/zinc/42/27/42/343422742.db2.gz DGDHHTPPJJUFQC-ZDUSSCGKSA-N 0 3 262.353 2.397 10 0 CEAEHN CC(C)CCNC(=O)[C@@H](C)NCCc1cccs1 ZINC000034938579 343421057 /nfs/dbraw/zinc/42/10/57/343421057.db2.gz XMQQEIHTUVCPCR-GFCCVEGCSA-N 0 3 268.426 2.431 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2cccc3c2OCCCO3)C1 ZINC000037164068 343426246 /nfs/dbraw/zinc/42/62/46/343426246.db2.gz FOVGOKPPPYJCKW-KGLIPLIRSA-N 0 3 277.364 2.241 10 0 CEAEHN CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCCN2)n[nH]1 ZINC000228343887 539337614 /nfs/dbraw/zinc/33/76/14/539337614.db2.gz VINUQDMHWZJJGW-AWEZNQCLSA-N 0 3 264.373 2.178 10 0 CEAEHN C[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000139232710 344392667 /nfs/dbraw/zinc/39/26/67/344392667.db2.gz RDPZKXDYIINIOF-ZYHUDNBSSA-N 0 3 297.349 2.419 10 0 CEAEHN CCOc1ccccc1CCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170859623 344491985 /nfs/dbraw/zinc/49/19/85/344491985.db2.gz VYTYYCQRLMFCNQ-OAHLLOKOSA-N 0 3 290.407 2.180 10 0 CEAEHN CC(C)c1cccc(OCC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170866793 344492098 /nfs/dbraw/zinc/49/20/98/344492098.db2.gz WRKKJQIJJKZREJ-OAHLLOKOSA-N 0 3 290.407 2.351 10 0 CEAEHN COc1ccc(CN2CC[C@@H](CCO)C2)c(F)c1 ZINC000228635215 344562720 /nfs/dbraw/zinc/56/27/20/344562720.db2.gz HPOFIMIJOXKKMW-NSHDSACASA-N 0 3 253.317 2.039 10 0 CEAEHN N[C@@H](CC1OCCO1)c1cscc1Br ZINC000236303684 344595496 /nfs/dbraw/zinc/59/54/96/344595496.db2.gz PUZSZDJGLYXJMW-QMMMGPOBSA-N 0 3 278.171 2.273 10 0 CEAEHN C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]12NCCS2 ZINC000307172544 344720616 /nfs/dbraw/zinc/72/06/16/344720616.db2.gz NBBKJAHXCGYEGH-ZWNOBZJWSA-N 0 3 272.414 2.439 10 0 CEAEHN CC[C@@H]1C[C@@H]1[C@H](N)c1c(Br)cnn1C ZINC000307138456 344720642 /nfs/dbraw/zinc/72/06/42/344720642.db2.gz ZSZZJSBHMSDJOZ-FJXKBIBVSA-N 0 3 258.163 2.229 10 0 CEAEHN C[C@H]1CCC[C@]1(N)c1ncc(Br)cn1 ZINC000307252299 344721202 /nfs/dbraw/zinc/72/12/02/344721202.db2.gz RWYVCAKGTYCMNS-OIBJUYFYSA-N 0 3 256.147 2.213 10 0 CEAEHN CC(C)N(C)c1ncc(CN)cc1Br ZINC000306235592 344712548 /nfs/dbraw/zinc/71/25/48/344712548.db2.gz OBGXBZYITMPFSQ-UHFFFAOYSA-N 0 3 258.163 2.147 10 0 CEAEHN CN(Cc1cccc2c1OCO2)C[C@H]1CCc2nccn2C1 ZINC000328657010 344757797 /nfs/dbraw/zinc/75/77/97/344757797.db2.gz ZXEWTEIMQOQKQB-CYBMUJFWSA-N 0 3 299.374 2.306 10 0 CEAEHN CN(Cc1cnn2ccccc12)C[C@H]1CCc2nccn2C1 ZINC000328630925 344756236 /nfs/dbraw/zinc/75/62/36/344756236.db2.gz JXCBCFIJXOQGQA-CQSZACIVSA-N 0 3 295.390 2.225 10 0 CEAEHN CCOC[C@H](C)N[C@H](CN(C)C)c1ccccc1 ZINC000128699946 365802357 /nfs/dbraw/zinc/80/23/57/365802357.db2.gz YJIJUUBJNHHFJB-DZGCQCFKSA-N 0 3 250.386 2.304 10 0 CEAEHN O=[N+]([O-])c1ccc(NC2CCN(CCO)CC2)c(Cl)c1 ZINC000399002804 344856270 /nfs/dbraw/zinc/85/62/70/344856270.db2.gz USPVEWGEBMJZKM-UHFFFAOYSA-N 0 3 299.758 2.117 10 0 CEAEHN COc1cccc([C@H](N)C[S@@](=O)C2CCCC2)c1 ZINC000084051519 178779572 /nfs/dbraw/zinc/77/95/72/178779572.db2.gz XSISAHHKBFAPRM-KDOFPFPSSA-N 0 3 267.394 2.386 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000057870592 362598230 /nfs/dbraw/zinc/59/82/30/362598230.db2.gz MASQHJVNWITPEV-ZIAGYGMSSA-N 0 3 267.417 2.445 10 0 CEAEHN CN(CCO)CCN(C)Cc1cc(Cl)ccc1Cl ZINC000623091315 349935483 /nfs/dbraw/zinc/93/54/83/349935483.db2.gz YJIFPYVFKFEDKF-UHFFFAOYSA-N 0 3 291.222 2.349 10 0 CEAEHN CN1CCC[C@@H](n2c3c(nc2C(C)(C)C)CNCC3)C1 ZINC000085572139 179097617 /nfs/dbraw/zinc/09/76/17/179097617.db2.gz HRGGAZWSDOUBBM-GFCCVEGCSA-N 0 3 276.428 2.093 10 0 CEAEHN Cc1csc(CN[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085636317 179109075 /nfs/dbraw/zinc/10/90/75/179109075.db2.gz FCMQSEOJEUHKMI-DLOVCJGASA-N 0 3 252.383 2.355 10 0 CEAEHN Cc1cc([C@@H]2NC(=O)CC[C@@H]2N)ccc1Br ZINC000085708904 179123658 /nfs/dbraw/zinc/12/36/58/179123658.db2.gz ICTYAQOOMIQBGV-JQWIXIFHSA-N 0 3 283.169 2.036 10 0 CEAEHN CC[C@H]1C(=O)NCCN1c1ccc(F)cc1CNC(C)C ZINC000110682908 136558020 /nfs/dbraw/zinc/55/80/20/136558020.db2.gz LDSYSDHXUQCZGO-AWEZNQCLSA-N 0 3 293.386 2.039 10 0 CEAEHN CC(C)NCc1cc(F)ccc1N1CCNC(=O)C1(C)C ZINC000110661513 136558100 /nfs/dbraw/zinc/55/81/00/136558100.db2.gz KOPFTJBZVFEHPM-UHFFFAOYSA-N 0 3 293.386 2.039 10 0 CEAEHN CCC[C@@H](N)C(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000236892578 370648118 /nfs/dbraw/zinc/64/81/18/370648118.db2.gz PYCAZBNVOOCRKB-CZUORRHYSA-N 0 3 292.423 2.460 10 0 CEAEHN c1cc(CN2CCC[C@H](Cn3cncn3)C2)cs1 ZINC000128463162 187372654 /nfs/dbraw/zinc/37/26/54/187372654.db2.gz NJYGRMFEBMCREL-LBPRGKRZSA-N 0 3 262.382 2.252 10 0 CEAEHN O=C(CNC[C@H]1CCCC[C@@H]1O)Nc1c(F)cccc1F ZINC000085986709 179212445 /nfs/dbraw/zinc/21/24/45/179212445.db2.gz IFHWSBJYXWQYDL-MFKMUULPSA-N 0 3 298.333 2.044 10 0 CEAEHN CC[C@H]1CN[C@@H](c2ccccc2)CN1Cc1nc(C)no1 ZINC000086260312 179259439 /nfs/dbraw/zinc/25/94/39/179259439.db2.gz QGZIUOMFSOKVES-LSDHHAIUSA-N 0 3 286.379 2.303 10 0 CEAEHN CCCN1C(=O)C[C@@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317442 179270185 /nfs/dbraw/zinc/27/01/85/179270185.db2.gz BFXHICOKHGHYFJ-MLGOLLRUSA-N 0 3 269.348 2.246 10 0 CEAEHN CCCN[C@H]1CCCc2sc(N3CCN(C)CC3)nc21 ZINC000086442151 179293826 /nfs/dbraw/zinc/29/38/26/179293826.db2.gz GAFJRJUANDIAIB-LBPRGKRZSA-N 0 3 294.468 2.272 10 0 CEAEHN CN[C@@H]1CCCc2sc(N3CCC(OC)CC3)nc21 ZINC000086442650 179294095 /nfs/dbraw/zinc/29/40/95/179294095.db2.gz FCJVAHIXIMEELG-LLVKDONJSA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1cccc(OC)c1 ZINC000086446671 179294801 /nfs/dbraw/zinc/29/48/01/179294801.db2.gz WPLCDWPYFYKAMC-LSDHHAIUSA-N 0 3 290.407 2.227 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)[C@@H](CC)CN1 ZINC000086447567 179295669 /nfs/dbraw/zinc/29/56/69/179295669.db2.gz VABLBBDBJCNYGK-OLZOCXBDSA-N 0 3 286.379 2.166 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1ccccc1 ZINC000086446914 179295945 /nfs/dbraw/zinc/29/59/45/179295945.db2.gz VYIOHYZWQJZVPW-LSDHHAIUSA-N 0 3 260.381 2.218 10 0 CEAEHN C[C@@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccnc1 ZINC000086485714 179301546 /nfs/dbraw/zinc/30/15/46/179301546.db2.gz SGIMWXHFNUNEQW-XBFCOCLRSA-N 0 3 282.409 2.088 10 0 CEAEHN C[C@@]1(c2nc([C@@H]3Cc4ccccc43)no2)CCCN1 ZINC000086486593 179301830 /nfs/dbraw/zinc/30/18/30/179301830.db2.gz LYWHRNMTZFRKSK-DOMZBBRYSA-N 0 3 255.321 2.356 10 0 CEAEHN Cc1cc(C)c(C(=O)N2C[C@H](C)NC[C@@H]2C)c(C)c1 ZINC000086467258 179296915 /nfs/dbraw/zinc/29/69/15/179296915.db2.gz RMSZSQKTVGAKPE-KBPBESRZSA-N 0 3 260.381 2.434 10 0 CEAEHN CCNc1ncc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000130097936 365923631 /nfs/dbraw/zinc/92/36/31/365923631.db2.gz AZDRCYOAOXMLKJ-QWRGUYRKSA-N 0 3 296.440 2.033 10 0 CEAEHN NC1(c2nc3cc(F)c(Br)cc3[nH]2)CC1 ZINC000086598528 179310631 /nfs/dbraw/zinc/31/06/31/179310631.db2.gz OXJNDRGOCVTGOR-UHFFFAOYSA-N 0 3 270.105 2.412 10 0 CEAEHN NC1(c2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000086598528 179310633 /nfs/dbraw/zinc/31/06/33/179310633.db2.gz OXJNDRGOCVTGOR-UHFFFAOYSA-N 0 3 270.105 2.412 10 0 CEAEHN O[C@H](c1ccc2c(c1)OCO2)[C@@H]1NCc2ccccc21 ZINC000086667407 179317051 /nfs/dbraw/zinc/31/70/51/179317051.db2.gz HBKGXYPTAYURDX-HZPDHXFCSA-N 0 3 269.300 2.293 10 0 CEAEHN O[C@H](c1ccc2c(c1)OCCO2)[C@@H]1NCc2ccccc21 ZINC000086667107 179317057 /nfs/dbraw/zinc/31/70/57/179317057.db2.gz QFLNJKZMYGYQSO-IAGOWNOFSA-N 0 3 283.327 2.336 10 0 CEAEHN COC(=O)[C@]1(Nc2ccccc2C)CCCN(C)CC1 ZINC000086819814 179348472 /nfs/dbraw/zinc/34/84/72/179348472.db2.gz FZKMNVFYKYYNME-INIZCTEOSA-N 0 3 276.380 2.434 10 0 CEAEHN CCCN1CCC[C@](N)(c2noc(C(C)C)n2)CC1 ZINC000086851754 179360036 /nfs/dbraw/zinc/36/00/36/179360036.db2.gz DNVRYMPAVISMMV-CQSZACIVSA-N 0 3 266.389 2.243 10 0 CEAEHN CCC[N@H+](CC(=O)[O-])[C@H]1CCCN(C(C)C)CC1 ZINC000086869060 179361764 /nfs/dbraw/zinc/36/17/64/179361764.db2.gz OWYDOYYWZHVJOA-ZDUSSCGKSA-N 0 3 256.390 2.046 10 0 CEAEHN CCC[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(C)C)CC1 ZINC000086869060 179361766 /nfs/dbraw/zinc/36/17/66/179361766.db2.gz OWYDOYYWZHVJOA-ZDUSSCGKSA-N 0 3 256.390 2.046 10 0 CEAEHN CCC[C@@H]([NH2+][C@@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086868679 179362022 /nfs/dbraw/zinc/36/20/22/179362022.db2.gz OBRSELYIOUEZGO-CHWSQXEVSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CCC(=O)[O-])C2CC2)CC1 ZINC000086868719 179362039 /nfs/dbraw/zinc/36/20/39/179362039.db2.gz BYMYAKJUOVYQMT-CYBMUJFWSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CCC(=O)[O-])C2CC2)CC1 ZINC000086868719 179362040 /nfs/dbraw/zinc/36/20/40/179362040.db2.gz BYMYAKJUOVYQMT-CYBMUJFWSA-N 0 3 268.401 2.190 10 0 CEAEHN CN[C@@]1(c2nccs2)CCCN(C(C)C)CC1 ZINC000086851375 179359046 /nfs/dbraw/zinc/35/90/46/179359046.db2.gz GPOFXLJZGLTDIZ-ZDUSSCGKSA-N 0 3 253.415 2.452 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1cc(F)cc(F)c1 ZINC000086979093 179372598 /nfs/dbraw/zinc/37/25/98/179372598.db2.gz HFCDFXYRBFDXMG-GFCCVEGCSA-N 0 3 277.336 2.180 10 0 CEAEHN N[C@]1(c2nc3c(s2)CCCC3)CCCOCC1 ZINC000086876922 179365262 /nfs/dbraw/zinc/36/52/62/179365262.db2.gz ZKUOJGDKJUONBQ-CYBMUJFWSA-N 0 3 252.383 2.376 10 0 CEAEHN CCS(=O)(=O)CCCOc1ccc(Cl)cc1CN ZINC000086972675 179371669 /nfs/dbraw/zinc/37/16/69/179371669.db2.gz VFYYRXFOPUBJJT-UHFFFAOYSA-N 0 3 291.800 2.002 10 0 CEAEHN N[C@H]1CCCc2nc([C@H]3CSCCO3)sc21 ZINC000086989838 179374585 /nfs/dbraw/zinc/37/45/85/179374585.db2.gz XEVWICGKOLYJOL-IONNQARKSA-N 0 3 256.396 2.284 10 0 CEAEHN COc1ccc([C@H](CN)N(C)C[C@@H]2CCCCO2)cc1F ZINC000086991804 179375640 /nfs/dbraw/zinc/37/56/40/179375640.db2.gz CKLGSNJTLCZAOA-ZFWWWQNUSA-N 0 3 296.386 2.335 10 0 CEAEHN CCC1CCC(O)(CN[C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000087065768 179389981 /nfs/dbraw/zinc/38/99/81/179389981.db2.gz DHZAWRWPFDSXRE-CBCUQQMYSA-N 0 3 296.455 2.355 10 0 CEAEHN C[C@H]1CCC[C@](O)(CNCc2cn3ccccc3n2)C1 ZINC000087064169 179390190 /nfs/dbraw/zinc/39/01/90/179390190.db2.gz IWKRDMKHFXETCJ-XJKSGUPXSA-N 0 3 273.380 2.365 10 0 CEAEHN CCC1CCC(O)(CNC(=O)[C@@]2(N)CCC[C@@H](C)C2)CC1 ZINC000087070325 179391496 /nfs/dbraw/zinc/39/14/96/179391496.db2.gz SPOWTDYFHIUSCQ-RKHAHWSXSA-N 0 3 296.455 2.342 10 0 CEAEHN NC(=O)c1ccc(F)c(CNCC2(O)CCCCCC2)c1 ZINC000087089353 179393466 /nfs/dbraw/zinc/39/34/66/179393466.db2.gz NYYJYWVQWWXDGH-UHFFFAOYSA-N 0 3 294.370 2.100 10 0 CEAEHN C[C@H](N)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000087153069 179398298 /nfs/dbraw/zinc/39/82/98/179398298.db2.gz KNVWPXQMPLNIFP-YFKPBYRVSA-N 0 3 277.549 2.388 10 0 CEAEHN Nc1cc([C@@H]2COCCN(Cc3ccccc3)C2)ccn1 ZINC000616659627 348551729 /nfs/dbraw/zinc/55/17/29/348551729.db2.gz GYUPXWHZOMKPHY-INIZCTEOSA-N 0 3 283.375 2.110 10 0 CEAEHN OCc1ccc([C@H]2CNCCN2Cc2ccccc2)cc1 ZINC000616637074 348543095 /nfs/dbraw/zinc/54/30/95/348543095.db2.gz RPULVHUCESFWJO-GOSISDBHSA-N 0 3 282.387 2.325 10 0 CEAEHN CC(C)N1CCOCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616655387 348549969 /nfs/dbraw/zinc/54/99/69/348549969.db2.gz CRSWSFUGFCPKTG-ZDUSSCGKSA-N 0 3 286.416 2.401 10 0 CEAEHN CC(C)N1CCOC[C@H](c2cccc3ccnnc32)C1 ZINC000616658324 348550493 /nfs/dbraw/zinc/55/04/93/348550493.db2.gz DCFYLGDCNUWFLG-CQSZACIVSA-N 0 3 271.364 2.454 10 0 CEAEHN CCN[C@H](c1cnc2ccccc2c1)[C@@H]1COCCO1 ZINC000087857879 179502375 /nfs/dbraw/zinc/50/23/75/179502375.db2.gz KAIKLDAQOGOXTL-JKSUJKDBSA-N 0 3 272.348 2.301 10 0 CEAEHN CC(=O)Nc1cccc([C@H]2CCCCN2CCO)c1 ZINC000616614849 348535141 /nfs/dbraw/zinc/53/51/41/348535141.db2.gz WYRMFICYCSMKPD-OAHLLOKOSA-N 0 3 262.353 2.164 10 0 CEAEHN CCOC(=O)CC1(N2CCN(C)CC2)CCC(C)CC1 ZINC000088045961 179540009 /nfs/dbraw/zinc/54/00/09/179540009.db2.gz HCGMUPSXUDYAST-UHFFFAOYSA-N 0 3 282.428 2.136 10 0 CEAEHN CNC(=O)CCN[C@H]1CCc2sc(Cl)cc21 ZINC000088117196 179551787 /nfs/dbraw/zinc/55/17/87/179551787.db2.gz HKZUNIPBJCUFND-QMMMGPOBSA-N 0 3 258.774 2.115 10 0 CEAEHN CCN1CCc2ccccc2[C@H]1c1ccc(N)nc1 ZINC000616679796 348559031 /nfs/dbraw/zinc/55/90/31/348559031.db2.gz PLCXLUCRKUVUPF-MRXNPFEDSA-N 0 3 253.349 2.462 10 0 CEAEHN C[C@H]1CCC[C@@](N)(C(=O)NCC(C2CC2)C2CC2)C1 ZINC000088457094 179608088 /nfs/dbraw/zinc/60/80/88/179608088.db2.gz YVNKBTFYGNMIHU-ZBEGNZNMSA-N 0 3 264.413 2.446 10 0 CEAEHN COCc1cccc([C@@H](CN)N(C)Cc2ccncc2)c1 ZINC000088553936 179622596 /nfs/dbraw/zinc/62/25/96/179622596.db2.gz IYJUQNRDODWOLM-QGZVFWFLSA-N 0 3 285.391 2.360 10 0 CEAEHN CC(C)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1CN ZINC000088836730 179680403 /nfs/dbraw/zinc/68/04/03/179680403.db2.gz VCCZZGLRZDTHFP-OAHLLOKOSA-N 0 3 296.436 2.096 10 0 CEAEHN CCn1nc(C)cc1COc1c(CN)cccc1OC ZINC000089181376 179744996 /nfs/dbraw/zinc/74/49/96/179744996.db2.gz ZBUQQBAQLPYBEG-UHFFFAOYSA-N 0 3 275.352 2.258 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(CCC(=O)c2ccc(F)cc2)C1 ZINC000401910208 233186300 /nfs/dbraw/zinc/18/63/00/233186300.db2.gz PYGZVHPVUIBVLV-SMDDNHRTSA-N 0 3 265.328 2.101 10 0 CEAEHN Cc1nn(C)c(Sc2ccccc2F)c1C(=N)N ZINC000104320405 185967890 /nfs/dbraw/zinc/96/78/90/185967890.db2.gz FBMXYSDRLRUTQJ-UHFFFAOYSA-N 0 3 264.329 2.303 10 0 CEAEHN CN1C[C@@H](CNCc2csc(C(F)(F)F)c2)CC1=O ZINC000623570705 350053264 /nfs/dbraw/zinc/05/32/64/350053264.db2.gz BGKPQIAFCBCYLK-MRVPVSSYSA-N 0 3 292.326 2.335 10 0 CEAEHN CCC(CC)[C@H](C)NCc1c(OC)ncnc1OC ZINC000104437263 186001124 /nfs/dbraw/zinc/00/11/24/186001124.db2.gz OFHBOBUWHUIRQZ-JTQLQIEISA-N 0 3 267.373 2.408 10 0 CEAEHN CCCn1c2ccccc2nc1[C@]1(C)COC[C@H]1N ZINC000090571666 180008033 /nfs/dbraw/zinc/00/80/33/180008033.db2.gz OFPLAWNPDYZNSF-UKRRQHHQSA-N 0 3 259.353 2.062 10 0 CEAEHN Cc1cccc(C(C)C)c1NC(=O)[C@]1(C)COC[C@H]1N ZINC000090580746 180008402 /nfs/dbraw/zinc/00/84/02/180008402.db2.gz ONLZSOYVNGGFCO-CZUORRHYSA-N 0 3 276.380 2.421 10 0 CEAEHN C[C@@]1(c2nc3cc(Cl)ccc3o2)COC[C@H]1N ZINC000090574333 180008554 /nfs/dbraw/zinc/00/85/54/180008554.db2.gz GCQIFCLUSKVTLQ-ZYHUDNBSSA-N 0 3 252.701 2.096 10 0 CEAEHN CC(C)c1ccccc1NC(=O)[C@@]1(C)COC[C@H]1N ZINC000090580478 180008701 /nfs/dbraw/zinc/00/87/01/180008701.db2.gz DFMNRKDJTAAQSI-HIFRSBDPSA-N 0 3 262.353 2.112 10 0 CEAEHN C[C@H](OC[C@H](N)c1ccc2c(c1)OCO2)C(F)(F)F ZINC000090672240 180021115 /nfs/dbraw/zinc/02/11/15/180021115.db2.gz XQMRDBFBKIRLEX-CBAPKCEASA-N 0 3 277.242 2.383 10 0 CEAEHN CN[C@](CO)(CO[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000090676024 180022589 /nfs/dbraw/zinc/02/25/89/180022589.db2.gz YKSQOMXJDRTPGN-CMPLNLGQSA-N 0 3 277.286 2.061 10 0 CEAEHN Cc1ccncc1[C@@H](N)[C@@H]1COc2ccccc2O1 ZINC000090710175 180027861 /nfs/dbraw/zinc/02/78/61/180027861.db2.gz DRLRPVWTCOLLDA-LSDHHAIUSA-N 0 3 256.305 2.230 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)CC(C)(C)C ZINC000090699756 180027880 /nfs/dbraw/zinc/02/78/80/180027880.db2.gz XQQYRFXJQCXZMZ-LBPRGKRZSA-N 0 3 272.458 2.318 10 0 CEAEHN c1cc(CNC2CC2)n(C[C@@H]2Cc3ccccc3O2)n1 ZINC000090877785 180052374 /nfs/dbraw/zinc/05/23/74/180052374.db2.gz HDXZDUVVLQBFFR-HNNXBMFYSA-N 0 3 269.348 2.139 10 0 CEAEHN CCN[C@H]1CCCc2sc(N3C[C@H]4CC[C@@H](C3)O4)nc21 ZINC000090908124 180062270 /nfs/dbraw/zinc/06/22/70/180062270.db2.gz DOBFXGMMGDNTDC-TUAOUCFPSA-N 0 3 293.436 2.498 10 0 CEAEHN CCN1CCC[C@@H](NCc2sccc2NC(C)=O)C1 ZINC000090960375 180075512 /nfs/dbraw/zinc/07/55/12/180075512.db2.gz OYZQAPYQDKEYTM-GFCCVEGCSA-N 0 3 281.425 2.280 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@H](C)[C@@H]1CCCO1 ZINC000090961359 180075976 /nfs/dbraw/zinc/07/59/76/180075976.db2.gz XMWONSLDMDDFIB-ABAIWWIYSA-N 0 3 262.353 2.302 10 0 CEAEHN CCC(CC)(CO)NCc1ccccc1NC(C)=O ZINC000090962565 180076907 /nfs/dbraw/zinc/07/69/07/180076907.db2.gz KYVCJPHUOXARFI-UHFFFAOYSA-N 0 3 264.369 2.286 10 0 CEAEHN Cc1ncc(CNCc2cnc[nH]2)n1-c1ccccc1 ZINC000090992095 180081314 /nfs/dbraw/zinc/08/13/14/180081314.db2.gz PQEPRJKXJZYACC-UHFFFAOYSA-N 0 3 267.336 2.194 10 0 CEAEHN c1cc2c(cn1)nc(C[C@@H]1CSCCN1)n2C1CC1 ZINC000091128706 180100385 /nfs/dbraw/zinc/10/03/85/180100385.db2.gz MLEPQEPHNPSHPZ-SNVBAGLBSA-N 0 3 274.393 2.014 10 0 CEAEHN C[C@@H]1CCCC[C@H]1OC(=O)C[C@@H]1CSCCN1 ZINC000091129940 180100872 /nfs/dbraw/zinc/10/08/72/180100872.db2.gz TWDAWXILGPVOKB-IJLUTSLNSA-N 0 3 257.399 2.203 10 0 CEAEHN O=C(C[C@H]1CSCCN1)Nc1ccc(F)c(F)c1F ZINC000091133948 180102661 /nfs/dbraw/zinc/10/26/61/180102661.db2.gz NAWOCXPOJADTEN-ZETCQYMHSA-N 0 3 290.310 2.138 10 0 CEAEHN CCc1c(CN)cnn1-c1cc(F)c(F)cc1F ZINC000091339746 180136665 /nfs/dbraw/zinc/13/66/65/180136665.db2.gz WDFMQWFWJRQWFM-UHFFFAOYSA-N 0 3 255.243 2.311 10 0 CEAEHN Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091360560 180141063 /nfs/dbraw/zinc/14/10/63/180141063.db2.gz LRNLHFDQRQYLGX-RDBSUJKOSA-N 0 3 290.411 2.286 10 0 CEAEHN CCCN[C@@H](CC(=O)OCC)c1cncn1C(C)C ZINC000091274091 180118869 /nfs/dbraw/zinc/11/88/69/180118869.db2.gz HOCZGPHOTLTYQZ-LBPRGKRZSA-N 0 3 267.373 2.458 10 0 CEAEHN CCC(C)(C)N(C)[C@H](CN)c1cncn1C1CC1 ZINC000091276586 180120335 /nfs/dbraw/zinc/12/03/35/180120335.db2.gz LZNXGJKCABNWKH-GFCCVEGCSA-N 0 3 250.390 2.338 10 0 CEAEHN CCCN[C@H](CC(=O)OCC)c1cncn1C1CC1 ZINC000091277905 180121226 /nfs/dbraw/zinc/12/12/26/180121226.db2.gz NBXQTXGWSCAQSD-GFCCVEGCSA-N 0 3 265.357 2.212 10 0 CEAEHN CCNc1c(F)cccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000091432436 180153362 /nfs/dbraw/zinc/15/33/62/180153362.db2.gz IOLDGVUPRHCMFL-LBPRGKRZSA-N 0 3 293.386 2.424 10 0 CEAEHN CN(C)[C@@H]1CCCN(c2nc3c(s2)C(=O)CCC3)C1 ZINC000091432396 180153619 /nfs/dbraw/zinc/15/36/19/180153619.db2.gz RQFPOZRGCMKOJT-SNVBAGLBSA-N 0 3 279.409 2.193 10 0 CEAEHN CNCc1cncc(Oc2cccc(COC)c2)n1 ZINC000091435372 180154113 /nfs/dbraw/zinc/15/41/13/180154113.db2.gz IXZJHNPGICMDFA-UHFFFAOYSA-N 0 3 259.309 2.135 10 0 CEAEHN CCCNCc1cncc(N(CCOC)[C@H](C)CC)n1 ZINC000091420648 180150501 /nfs/dbraw/zinc/15/05/01/180150501.db2.gz XOCNOHKNKXNNDG-CYBMUJFWSA-N 0 3 280.416 2.228 10 0 CEAEHN CCNCc1cncc(N(C)c2ccccc2OC)n1 ZINC000091420057 180150568 /nfs/dbraw/zinc/15/05/68/180150568.db2.gz CKGVCGGSVSEZEI-UHFFFAOYSA-N 0 3 272.352 2.363 10 0 CEAEHN CCn1nccc1[C@@H](NC)C(C)(C)N1CCCCC1 ZINC000091564726 180193238 /nfs/dbraw/zinc/19/32/38/180193238.db2.gz NJXOMAHMRPXTRR-CQSZACIVSA-N 0 3 264.417 2.428 10 0 CEAEHN CCN[C@@H](c1cnccn1)C(C)(C)N1CCCCC1 ZINC000091565082 180193648 /nfs/dbraw/zinc/19/36/48/180193648.db2.gz AFSMFVGXOKAZJM-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN CC(C)([C@@H](N)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091566260 180194253 /nfs/dbraw/zinc/19/42/53/180194253.db2.gz NRHGBNYSPQENQV-ZDUSSCGKSA-N 0 3 270.323 2.075 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cc(Cl)cnc1N)N(C)C ZINC000091569715 180195612 /nfs/dbraw/zinc/19/56/12/180195612.db2.gz DOGQBYSKWGSYFU-CMPLNLGQSA-N 0 3 256.781 2.047 10 0 CEAEHN CC[C@@](C)([C@H](NC)c1cc(Cl)cnc1N)N(C)C ZINC000091570340 180195926 /nfs/dbraw/zinc/19/59/26/180195926.db2.gz WYMWOINVSYWYJU-YPMHNXCESA-N 0 3 270.808 2.308 10 0 CEAEHN CCN(CC)[C@@](C)(CC)[C@H](NC)c1nccn1C ZINC000091599368 180202183 /nfs/dbraw/zinc/20/21/83/180202183.db2.gz XNMCTUSIGWCWMM-OCCSQVGLSA-N 0 3 252.406 2.191 10 0 CEAEHN CC[C@](C)([C@H](N)c1cncc(F)c1)N1CCCC1 ZINC000091605630 180203772 /nfs/dbraw/zinc/20/37/72/180203772.db2.gz LHVJEPGXHIFTCA-ZIAGYGMSSA-N 0 3 251.349 2.485 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cncc(F)c1)N1CCCC1 ZINC000091605634 180203873 /nfs/dbraw/zinc/20/38/73/180203873.db2.gz LHVJEPGXHIFTCA-UONOGXRCSA-N 0 3 251.349 2.485 10 0 CEAEHN CCN[C@H](c1cncnc1)[C@](C)(CC)N1CCCC1 ZINC000091607177 180204496 /nfs/dbraw/zinc/20/44/96/180204496.db2.gz ZKCMWSIJXKJIFK-CABCVRRESA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@@](C)([C@@H](O)CCc1ccccc1)N1CCOCC1 ZINC000091610951 180205922 /nfs/dbraw/zinc/20/59/22/180205922.db2.gz UVLYZKJPVPQXTC-IRXDYDNUSA-N 0 3 277.408 2.481 10 0 CEAEHN CCN[C@@H](c1nccn1C)C(CC)(CC)N(C)C ZINC000091614731 180208055 /nfs/dbraw/zinc/20/80/55/180208055.db2.gz XUIQVJLMTAGHMQ-LBPRGKRZSA-N 0 3 252.406 2.191 10 0 CEAEHN CCCN[C@H](c1cncnc1)[C@@](C)(CC)N1CCOCC1 ZINC000091613090 180208126 /nfs/dbraw/zinc/20/81/26/180208126.db2.gz KKROAHNKOUHJAU-HZPDHXFCSA-N 0 3 292.427 2.018 10 0 CEAEHN CN[C@H](c1cc(OC)ccc1OC)C(C)(C)N(C)C ZINC000091528842 180180846 /nfs/dbraw/zinc/18/08/46/180180846.db2.gz DBOKMJOQESFKOY-CQSZACIVSA-N 0 3 266.385 2.305 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@H](NC2CCC(CC)CC2)C1=O ZINC000105025791 186038206 /nfs/dbraw/zinc/03/82/06/186038206.db2.gz XFIPBEVIXNROAZ-ABXWRUBCSA-N 0 3 280.412 2.471 10 0 CEAEHN COc1ccc([C@@H](N)C2(N3CCOCC3)CCCC2)cc1 ZINC000091642829 180214268 /nfs/dbraw/zinc/21/42/68/180214268.db2.gz HRQHSOJZQAYZMW-MRXNPFEDSA-N 0 3 290.407 2.340 10 0 CEAEHN CCCn1ncnc1CC(=O)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091650733 180216113 /nfs/dbraw/zinc/21/61/13/180216113.db2.gz IRZDYOOEUYNXPA-CJNGLKHVSA-N 0 3 292.427 2.310 10 0 CEAEHN Cc1cc(CC(=O)[C@@]2(N(C)C)CCC[C@@H](C)C2)n(C)n1 ZINC000091649662 180216708 /nfs/dbraw/zinc/21/67/08/180216708.db2.gz LMXBDPOMUPCLGY-MLGOLLRUSA-N 0 3 277.412 2.351 10 0 CEAEHN Cc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)nc(C(C)C)n1 ZINC000091673028 180224127 /nfs/dbraw/zinc/22/41/27/180224127.db2.gz HHVZFIURDKARIN-KGLIPLIRSA-N 0 3 290.411 2.184 10 0 CEAEHN CCCN[C@@H](c1ccccc1C)[C@H]1CN(C)CCO1 ZINC000091718936 180233190 /nfs/dbraw/zinc/23/31/90/180233190.db2.gz NPXKSYLMOPMWAB-CVEARBPZSA-N 0 3 262.397 2.366 10 0 CEAEHN CCN[C@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091718319 180233459 /nfs/dbraw/zinc/23/34/59/180233459.db2.gz XCIBQDMMNGMJPG-DLBZAZTESA-N 0 3 292.423 2.455 10 0 CEAEHN CCCN[C@@H](c1ccccc1OCC)[C@H]1CN(C)CCO1 ZINC000091719444 180234204 /nfs/dbraw/zinc/23/42/04/180234204.db2.gz PAGVVOGYCFCLFU-SJORKVTESA-N 0 3 292.423 2.457 10 0 CEAEHN CCOc1ccc([C@@H](N)CN(C)C)cc1OCC ZINC000091719575 180234629 /nfs/dbraw/zinc/23/46/29/180234629.db2.gz AUBJLYABQAWHHT-LBPRGKRZSA-N 0 3 252.358 2.045 10 0 CEAEHN CN[C@H](c1ccccc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720956 180236560 /nfs/dbraw/zinc/23/65/60/180236560.db2.gz HOGBXXZTEGGSEY-KCPJHIHWSA-N 0 3 280.799 2.464 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccc(Cl)s1 ZINC000624235086 350238396 /nfs/dbraw/zinc/23/83/96/350238396.db2.gz DFMMYHJFFSGKGD-CIUDSAMLSA-N 0 3 261.774 2.202 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@H](NC[C@@H]2CCCC[C@@H]2C)C1=O ZINC000105500694 186062088 /nfs/dbraw/zinc/06/20/88/186062088.db2.gz CPTKNIQRMZLUDJ-XUXIUFHCSA-N 0 3 280.412 2.328 10 0 CEAEHN CCc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2N)o1 ZINC000091777303 180251602 /nfs/dbraw/zinc/25/16/02/180251602.db2.gz QVJBWHUCALCEMY-HIFRSBDPSA-N 0 3 270.332 2.197 10 0 CEAEHN CCc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2N)o1 ZINC000091777300 180252075 /nfs/dbraw/zinc/25/20/75/180252075.db2.gz QVJBWHUCALCEMY-ZFWWWQNUSA-N 0 3 270.332 2.197 10 0 CEAEHN CN[C@@H](C)c1cccn1CC(=O)Nc1ccc(OC)cc1 ZINC000091800869 180258801 /nfs/dbraw/zinc/25/88/01/180258801.db2.gz XDULCEHZEPHSRA-LBPRGKRZSA-N 0 3 287.363 2.416 10 0 CEAEHN CN[C@H](C)c1cccn1CC(=O)Nc1ccc(OC)cc1 ZINC000091800871 180259242 /nfs/dbraw/zinc/25/92/42/180259242.db2.gz XDULCEHZEPHSRA-GFCCVEGCSA-N 0 3 287.363 2.416 10 0 CEAEHN Cc1nc([C@H]2CN3CCC[C@@H]3CO2)sc1CNC1CC1 ZINC000091723154 180241363 /nfs/dbraw/zinc/24/13/63/180241363.db2.gz LFKIHHXDPBCYTJ-CHWSQXEVSA-N 0 3 293.436 2.239 10 0 CEAEHN CC[C@@H]1CN(C(=O)N2CCC[C@H](C)C2)[C@@H](CC)CN1 ZINC000091991353 180299892 /nfs/dbraw/zinc/29/98/92/180299892.db2.gz VKZHQRWHZKTWCY-MJBXVCDLSA-N 0 3 267.417 2.301 10 0 CEAEHN CCNCc1nc(C)ccc1OC[C@@H]1CCCCO1 ZINC000091994616 180301175 /nfs/dbraw/zinc/30/11/75/180301175.db2.gz BLUGJCJOOKMYOR-ZDUSSCGKSA-N 0 3 264.369 2.447 10 0 CEAEHN Cc1ccc(O[C@H](C)C(=O)N(C)C)c(CNC(C)(C)C)n1 ZINC000091996185 180302067 /nfs/dbraw/zinc/30/20/67/180302067.db2.gz FPFDMLVBKYABRT-GFCCVEGCSA-N 0 3 293.411 2.134 10 0 CEAEHN CCCNCc1nc(C)ccc1OC[C@@H](O)COC(C)C ZINC000091995239 180302351 /nfs/dbraw/zinc/30/23/51/180302351.db2.gz INTZCLBCYRPCKM-AWEZNQCLSA-N 0 3 296.411 2.054 10 0 CEAEHN Cc1cnc(Cl)nc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092023764 180308794 /nfs/dbraw/zinc/30/87/94/180308794.db2.gz FRNABIOJXRPKGK-MNOVXSKESA-N 0 3 266.776 2.111 10 0 CEAEHN COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[C@H](C)C2)c(N)c1 ZINC000092081637 180319825 /nfs/dbraw/zinc/31/98/25/180319825.db2.gz DWNYJBPMOQBPLU-TUAOUCFPSA-N 0 3 291.395 2.192 10 0 CEAEHN Cc1cc(N)ccc1NC(=O)[C@@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000092080831 180319858 /nfs/dbraw/zinc/31/98/58/180319858.db2.gz NGGKFRIKJWWMSQ-FRRDWIJNSA-N 0 3 275.396 2.492 10 0 CEAEHN Cc1ccc(N)cc1NC(=O)CN1C[C@H](C)[C@@H](C)C1 ZINC000092081454 180319906 /nfs/dbraw/zinc/31/99/06/180319906.db2.gz QDQJHPJBLKTELR-RYUDHWBXSA-N 0 3 261.369 2.104 10 0 CEAEHN Cc1nn(C)c(N2C[C@H](C)[C@@H](C)C2)c1CNC(C)C ZINC000092086462 180320479 /nfs/dbraw/zinc/32/04/79/180320479.db2.gz RKZGDPSRNLTYFJ-RYUDHWBXSA-N 0 3 264.417 2.319 10 0 CEAEHN COc1ccc(CN2C[C@H](C)[C@@H](C)C2)cc1C(N)=S ZINC000092085521 180320827 /nfs/dbraw/zinc/32/08/27/180320827.db2.gz PBDLQWYZANHHKY-QWRGUYRKSA-N 0 3 278.421 2.417 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000092083405 180320837 /nfs/dbraw/zinc/32/08/37/180320837.db2.gz MGCGJBXZOJYSLL-CPUCHLNUSA-N 0 3 284.407 2.460 10 0 CEAEHN CCNCc1cnn(C[C@@H]2COc3ccccc32)c1C ZINC000092306676 180360821 /nfs/dbraw/zinc/36/08/21/180360821.db2.gz SWRFOOJQPQLNGU-CQSZACIVSA-N 0 3 271.364 2.477 10 0 CEAEHN CCc1nn(-c2nc3ccccc3[nH]2)c(CC)c1CN ZINC000092320193 180361637 /nfs/dbraw/zinc/36/16/37/180361637.db2.gz BYPCDYZRIJDQCJ-UHFFFAOYSA-N 0 3 269.352 2.332 10 0 CEAEHN Cc1cc(N[C@@H]2C=CS(=O)(=O)C2)c2ccccc2n1 ZINC000106066185 186100148 /nfs/dbraw/zinc/10/01/48/186100148.db2.gz TYGOQUWBTCJGKC-LLVKDONJSA-N 0 3 274.345 2.266 10 0 CEAEHN Cc1cc([N-]S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)ccn1 ZINC000092364751 180368018 /nfs/dbraw/zinc/36/80/18/180368018.db2.gz XTLTVQHJJHXBGV-LLVKDONJSA-N 0 3 291.376 2.211 10 0 CEAEHN Cc1nn(C)c(C)c1CNC1=N[C@@H](C(C)C)CS1 ZINC000092402869 180378001 /nfs/dbraw/zinc/37/80/01/180378001.db2.gz BYUDDGAOIPBWDZ-GFCCVEGCSA-N 0 3 266.414 2.254 10 0 CEAEHN CCCNc1ccnc(CN2CCC[C@@H]2C(=O)OC)c1 ZINC000092418258 180381425 /nfs/dbraw/zinc/38/14/25/180381425.db2.gz MGYLVXHVNJYFSH-CQSZACIVSA-N 0 3 277.368 2.041 10 0 CEAEHN CCOC(=O)[C@H]1CCCCN1Cc1cc(NC)ccn1 ZINC000092418251 180381556 /nfs/dbraw/zinc/38/15/56/180381556.db2.gz ABTGUUFADWURRP-CQSZACIVSA-N 0 3 277.368 2.041 10 0 CEAEHN CCOC(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000106779554 186135884 /nfs/dbraw/zinc/13/58/84/186135884.db2.gz PURNUKCEZLEJMA-UHFFFAOYSA-N 0 3 263.337 2.338 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@H]1OCCCOC ZINC000092386726 180373522 /nfs/dbraw/zinc/37/35/22/180373522.db2.gz BZQNLPVVUBXPQP-HZPDHXFCSA-N 0 3 279.380 2.324 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@H]1n1nc(C)nc1C ZINC000092386150 180373905 /nfs/dbraw/zinc/37/39/05/180373905.db2.gz PTUAGONYMLHAIR-HZPDHXFCSA-N 0 3 286.379 2.352 10 0 CEAEHN CC(C)[C@H](NCc1cccc(Br)c1)C(N)=O ZINC000107322896 186170068 /nfs/dbraw/zinc/17/00/68/186170068.db2.gz NDNBQIBMMFXKMB-NSHDSACASA-N 0 3 285.185 2.049 10 0 CEAEHN CC(C)(CN[C@@H](c1ccccc1)C1CC1)NS(C)(=O)=O ZINC000109040859 186241387 /nfs/dbraw/zinc/24/13/87/186241387.db2.gz IKJVWHUXZYZBQZ-AWEZNQCLSA-N 0 3 296.436 2.055 10 0 CEAEHN CN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081779 186242345 /nfs/dbraw/zinc/24/23/45/186242345.db2.gz JQWDKRBOLVVEGB-OLZOCXBDSA-N 0 3 294.345 2.279 10 0 CEAEHN C[C@@H](N)c1c(F)cccc1N(C)C[C@H]1CCCO1 ZINC000109568685 186263630 /nfs/dbraw/zinc/26/36/30/186263630.db2.gz ICMXCICMQASPRV-GHMZBOCLSA-N 0 3 252.333 2.461 10 0 CEAEHN CNCc1cc(N(C)[C@H](C)COC)c2ccccc2n1 ZINC000109588744 186263964 /nfs/dbraw/zinc/26/39/64/186263964.db2.gz DPTPTRLLZFOZHF-GFCCVEGCSA-N 0 3 273.380 2.425 10 0 CEAEHN COc1cc2c(cc1F)[nH]c(=S)n2C[C@@H](C)N(C)C ZINC000110628942 186306583 /nfs/dbraw/zinc/30/65/83/186306583.db2.gz NPSDKKHHDIFBDH-MRVPVSSYSA-N 0 3 283.372 2.423 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CCc1ccccn1 ZINC000110629245 186307662 /nfs/dbraw/zinc/30/76/62/186307662.db2.gz MMJJITWEDXQXIK-UHFFFAOYSA-N 0 3 286.310 2.404 10 0 CEAEHN C[C@@H]1CCCN(C(=O)[C@H](CN)Cc2ccccc2)CC1 ZINC000110808164 186326662 /nfs/dbraw/zinc/32/66/62/186326662.db2.gz GEVYNJZAFYCTPP-ZBFHGGJFSA-N 0 3 274.408 2.453 10 0 CEAEHN CCN[C@](C)(CN(C)CC1CCCC1)C(=O)OCC ZINC000110840931 186328756 /nfs/dbraw/zinc/32/87/56/186328756.db2.gz LSJFMEOOYTWJCG-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN COc1ccccc1[C@@H](CN)Oc1ccccc1CO ZINC000110992810 186340475 /nfs/dbraw/zinc/34/04/75/186340475.db2.gz DAJXXUDUYVLUQP-MRXNPFEDSA-N 0 3 273.332 2.266 10 0 CEAEHN C[C@@H]1CN(Cc2cc(N)ccc2Cl)CCN1C ZINC000110700726 186313799 /nfs/dbraw/zinc/31/37/99/186313799.db2.gz JAYPOOLAWFDQGZ-SNVBAGLBSA-N 0 3 253.777 2.058 10 0 CEAEHN CCN1CCN(CCCOc2cccc(N)c2)C[C@@H]1C ZINC000110702329 186314918 /nfs/dbraw/zinc/31/49/18/186314918.db2.gz WGEXJFNDJGUGKG-AWEZNQCLSA-N 0 3 277.412 2.064 10 0 CEAEHN CC(C)c1ccc([C@@H](N)CN2CCN(C)[C@@H](C)C2)cc1 ZINC000110712416 186315559 /nfs/dbraw/zinc/31/55/59/186315559.db2.gz UUPHYJDMWJHDRR-YOEHRIQHSA-N 0 3 275.440 2.446 10 0 CEAEHN Cc1ccc([C@@H](O)CN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000110736636 186318537 /nfs/dbraw/zinc/31/85/37/186318537.db2.gz KTCXMKYXHNAZCB-INIZCTEOSA-N 0 3 276.424 2.363 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)CNCC1CC1 ZINC000110777776 186324742 /nfs/dbraw/zinc/32/47/42/186324742.db2.gz RINGWFABMOKXHE-UHFFFAOYSA-N 0 3 296.392 2.171 10 0 CEAEHN COc1cc(N2CCN(C(C)(C)C)CC2)ccc1N ZINC000111051467 186348581 /nfs/dbraw/zinc/34/85/81/186348581.db2.gz FBYBXAKBSHQIPB-UHFFFAOYSA-N 0 3 263.385 2.198 10 0 CEAEHN CCOc1cc(OCCN2CCCC2)ccc1N ZINC000111057848 186348924 /nfs/dbraw/zinc/34/89/24/186348924.db2.gz XZFUWQJVIPGBRY-UHFFFAOYSA-N 0 3 250.342 2.142 10 0 CEAEHN CC(C)(C)OC(=O)N[C@@H](CN)c1cccc(F)c1F ZINC000111037487 186346665 /nfs/dbraw/zinc/34/66/65/186346665.db2.gz ZMZKBVOCUWQRBC-JTQLQIEISA-N 0 3 272.295 2.489 10 0 CEAEHN CCO[C@H]1CCCN([C@@H](CN)c2cccc(F)c2F)C1 ZINC000111039695 186346825 /nfs/dbraw/zinc/34/68/25/186346825.db2.gz WWQCLPVJCWFXQU-FZMZJTMJSA-N 0 3 284.350 2.466 10 0 CEAEHN CCCOCCOCCCC(=O)Nc1cccc(CN)c1 ZINC000111106509 186352571 /nfs/dbraw/zinc/35/25/71/186352571.db2.gz MEDQWJCTPPXIEU-UHFFFAOYSA-N 0 3 294.395 2.307 10 0 CEAEHN CCOCCN(CC)Cc1ccc(C(N)=S)cc1 ZINC000111119370 186354458 /nfs/dbraw/zinc/35/44/58/186354458.db2.gz GKWGNCSENQNJPK-UHFFFAOYSA-N 0 3 266.410 2.179 10 0 CEAEHN CCOCCN(CC)C[C@H](N)c1ccccc1OCC ZINC000111118681 186354531 /nfs/dbraw/zinc/35/45/31/186354531.db2.gz FAZUNYNZHXSMPQ-HNNXBMFYSA-N 0 3 280.412 2.444 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1c(F)cccc1F ZINC000111117537 186354991 /nfs/dbraw/zinc/35/49/91/186354991.db2.gz QQGCOVMHKPWRDG-CYBMUJFWSA-N 0 3 272.339 2.323 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1ccc(F)cc1F ZINC000111117565 186355401 /nfs/dbraw/zinc/35/54/01/186355401.db2.gz BZLLEORGYZQECC-CQSZACIVSA-N 0 3 272.339 2.323 10 0 CEAEHN CCOCCN(CC)C[C@H](N)c1ccc(OC)cc1OC ZINC000111119115 186355623 /nfs/dbraw/zinc/35/56/23/186355623.db2.gz BTOKVZASTFCIDR-HNNXBMFYSA-N 0 3 296.411 2.062 10 0 CEAEHN CN(C)CCCN(C)c1nc2ccccc2cc1C=O ZINC000111138865 186357072 /nfs/dbraw/zinc/35/70/72/186357072.db2.gz TYEZPTQJLAOQCK-UHFFFAOYSA-N 0 3 271.364 2.435 10 0 CEAEHN OC[C@]1(CN(Cc2ccco2)C2CC2)CCCOC1 ZINC000111331573 186399930 /nfs/dbraw/zinc/39/99/30/186399930.db2.gz JXBFYPLQCFURBR-OAHLLOKOSA-N 0 3 265.353 2.033 10 0 CEAEHN C[C@H](NC(=O)c1ccc(CN)cn1)c1ccc(F)cc1 ZINC000111281837 186388364 /nfs/dbraw/zinc/38/83/64/186388364.db2.gz XIWFMLCNGRHMIM-JTQLQIEISA-N 0 3 273.311 2.170 10 0 CEAEHN CCOc1ccccc1NC(=O)c1ccc(CN)cn1 ZINC000111281203 186388420 /nfs/dbraw/zinc/38/84/20/186388420.db2.gz YWODDEWHCDLNOS-UHFFFAOYSA-N 0 3 271.320 2.191 10 0 CEAEHN NCc1ccc(C(=O)Nc2ccc(F)c(F)c2)nc1 ZINC000111281156 186388430 /nfs/dbraw/zinc/38/84/30/186388430.db2.gz MDZBFZSLGWXBNH-UHFFFAOYSA-N 0 3 263.247 2.071 10 0 CEAEHN C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(CN)cn2)C1 ZINC000111281751 186388603 /nfs/dbraw/zinc/38/86/03/186388603.db2.gz DUJCWYDPAZAKRN-YPMHNXCESA-N 0 3 261.369 2.191 10 0 CEAEHN NCc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)nc1 ZINC000111282259 186389130 /nfs/dbraw/zinc/38/91/30/186389130.db2.gz OWMPLXRASYHRAO-HNNXBMFYSA-N 0 3 281.359 2.170 10 0 CEAEHN NC[C@H](NC(=O)NC1CCCCC1)c1ccccc1 ZINC000111371462 186409056 /nfs/dbraw/zinc/40/90/56/186409056.db2.gz ZZSRZUMBVIBCJI-AWEZNQCLSA-N 0 3 261.369 2.318 10 0 CEAEHN Cc1nc(CN2C[C@H]3CCCCN3C[C@H]2C)[nH]c1C ZINC000628180233 350993505 /nfs/dbraw/zinc/99/35/05/350993505.db2.gz HHADIHGZJMYIJZ-BXUZGUMPSA-N 0 3 262.401 2.085 10 0 CEAEHN NCc1cc2c(cc1Br)OCCCO2 ZINC000069803412 363002560 /nfs/dbraw/zinc/00/25/60/363002560.db2.gz LDKZKYKPHPZQPG-UHFFFAOYSA-N 0 3 258.115 2.069 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2ccc(F)cc2C)CC1 ZINC000123557848 187098621 /nfs/dbraw/zinc/09/86/21/187098621.db2.gz RCXGDEBHMPXWLB-MRXNPFEDSA-N 0 3 280.387 2.023 10 0 CEAEHN CC[C@H](O)CN1CCN(CC2CCC(C)CC2)CC1 ZINC000123622965 187101180 /nfs/dbraw/zinc/10/11/80/187101180.db2.gz BGFWWKIWLYXPJN-GPANFISMSA-N 0 3 268.445 2.201 10 0 CEAEHN NCc1ccnc(-c2cc(Br)cs2)n1 ZINC000070599504 363100613 /nfs/dbraw/zinc/10/06/13/363100613.db2.gz DXWJMEBCDOHWOL-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H]2CCCc3sccc32)C1 ZINC000252645465 539884518 /nfs/dbraw/zinc/88/45/18/539884518.db2.gz QMZHBBCCUTXATH-JSGCOSHPSA-N 0 3 280.437 2.436 10 0 CEAEHN CC[C@H](C)OCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000152482322 188022058 /nfs/dbraw/zinc/02/20/58/188022058.db2.gz ZPUQYFPGGSHWGE-DZGCQCFKSA-N 0 3 278.396 2.221 10 0 CEAEHN CCC[C@H](C(=O)NCc1c(CC)noc1CC)N(C)C ZINC000153470778 188084565 /nfs/dbraw/zinc/08/45/65/188084565.db2.gz CWQRHTDYYOORIA-CYBMUJFWSA-N 0 3 281.400 2.146 10 0 CEAEHN CCC[C@H](C(=O)N1CCO[C@H](c2ccsc2)C1)N(C)C ZINC000154273146 188132636 /nfs/dbraw/zinc/13/26/36/188132636.db2.gz MPRNKEKBWQOCJT-KGLIPLIRSA-N 0 3 296.436 2.378 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)N(C)C ZINC000161553793 188534698 /nfs/dbraw/zinc/53/46/98/188534698.db2.gz YHUCVNPPUGZLIS-RISCZKNCSA-N 0 3 288.395 2.470 10 0 CEAEHN CCC(CC)n1ccc(Cn2cc(C(C)(C)N)nn2)n1 ZINC000070324552 540064171 /nfs/dbraw/zinc/06/41/71/540064171.db2.gz QPXXZNSWTSSWIA-UHFFFAOYSA-N 0 3 276.388 2.078 10 0 CEAEHN c1ccc(-c2nnc(CN3CCN4CCCC[C@@H]4C3)o2)cc1 ZINC000172801045 188827042 /nfs/dbraw/zinc/82/70/42/188827042.db2.gz OOOJTVWMIKGPDL-OAHLLOKOSA-N 0 3 298.390 2.407 10 0 CEAEHN CCCN[S@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675075811 540117138 /nfs/dbraw/zinc/11/71/38/540117138.db2.gz ROFPWLDXCIYIQT-KRWDZBQOSA-N 0 3 253.371 2.173 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H]1Cc2ccccc21)N(C)C ZINC000154627939 540187926 /nfs/dbraw/zinc/18/79/26/540187926.db2.gz PHJHSHNDRDLPLS-HIFRSBDPSA-N 0 3 260.381 2.173 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)c1ccccn1 ZINC000079207053 363585415 /nfs/dbraw/zinc/58/54/15/363585415.db2.gz ZCAFURLIWILQSD-ZIAGYGMSSA-N 0 3 292.427 2.418 10 0 CEAEHN Cc1ncc(CN(C)C[C@@H]2CCC[C@H](O)C2)s1 ZINC000310098492 540335952 /nfs/dbraw/zinc/33/59/52/540335952.db2.gz AQUXFTXXXHHUQC-NEPJUHHUSA-N 0 3 254.399 2.434 10 0 CEAEHN CCC[C@H](C(=O)NCCc1cccc(OC)c1)N(C)C ZINC000136237822 366504992 /nfs/dbraw/zinc/50/49/92/366504992.db2.gz QWORHBHQJHMISV-OAHLLOKOSA-N 0 3 278.396 2.084 10 0 CEAEHN Cc1nc(CNCC[C@@H](C)NC(=O)OC(C)(C)C)[nH]c1C ZINC000497001526 291190833 /nfs/dbraw/zinc/19/08/33/291190833.db2.gz SWNXXVDSHHYDFM-SNVBAGLBSA-N 0 3 296.415 2.419 10 0 CEAEHN CCC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 ZINC000685961021 540660687 /nfs/dbraw/zinc/66/06/87/540660687.db2.gz MPBIAWJVFQJRLC-UHFFFAOYSA-N 0 3 298.427 2.498 10 0 CEAEHN CCc1ccc([C@H](C)NC[C@H](O)CN2CCCCC2)o1 ZINC000151349922 366641731 /nfs/dbraw/zinc/64/17/31/366641731.db2.gz DLFIOUXKJAOLPH-KBPBESRZSA-N 0 3 280.412 2.339 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1occc1C ZINC000177006932 189019790 /nfs/dbraw/zinc/01/97/90/189019790.db2.gz CBVXRZWAGAKCFJ-LBPRGKRZSA-N 0 3 250.342 2.144 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC000177021191 189021466 /nfs/dbraw/zinc/02/14/66/189021466.db2.gz IBELWNBRYBHCPL-GFCCVEGCSA-N 0 3 278.400 2.089 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccccc1OC ZINC000177025116 189021642 /nfs/dbraw/zinc/02/16/42/189021642.db2.gz MBEVLAVEEMYHJX-OAHLLOKOSA-N 0 3 290.407 2.180 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1cc(F)ccc1F ZINC000177036563 189022626 /nfs/dbraw/zinc/02/26/26/189022626.db2.gz KFMXVEINXHPYGP-CQSZACIVSA-N 0 3 296.361 2.450 10 0 CEAEHN CCOC(=O)CCCN[C@@H]1CCc2c1cccc2O ZINC000081544845 363727173 /nfs/dbraw/zinc/72/71/73/363727173.db2.gz XBHAYYWSJRIHAK-CYBMUJFWSA-N 0 3 263.337 2.312 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1Cc1ccccn1 ZINC000178302069 189105452 /nfs/dbraw/zinc/10/54/52/189105452.db2.gz YTBXDLVVDWIDSY-OAHLLOKOSA-N 0 3 256.353 2.251 10 0 CEAEHN CCC[C@H](C(=O)NCCOc1ccc(C)cc1)N(C)C ZINC000179142493 189172533 /nfs/dbraw/zinc/17/25/33/189172533.db2.gz WUWQROYZTDEXEN-OAHLLOKOSA-N 0 3 278.396 2.220 10 0 CEAEHN Cc1ccc(F)cc1CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180248558 189246453 /nfs/dbraw/zinc/24/64/53/189246453.db2.gz XCVKKDCQTZRHMZ-WMLDXEAASA-N 0 3 292.398 2.287 10 0 CEAEHN Cc1nc(C)c([C@@H](C)N[C@@H]2CCc3ncnn3C2)s1 ZINC000180586003 189263317 /nfs/dbraw/zinc/26/33/17/189263317.db2.gz WHXGENYDXQFKLC-MWLCHTKSSA-N 0 3 277.397 2.017 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@H]2CN(C)CCO2)c1C ZINC000180501066 189259476 /nfs/dbraw/zinc/25/94/76/189259476.db2.gz ORAMAFVDSMFOHZ-GJZGRUSLSA-N 0 3 262.397 2.285 10 0 CEAEHN CC[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1F ZINC000180853430 189280175 /nfs/dbraw/zinc/28/01/75/189280175.db2.gz ACOFRWUCMNUTFG-BXUZGUMPSA-N 0 3 274.343 2.473 10 0 CEAEHN CCc1nn(C)cc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000179987183 542259553 /nfs/dbraw/zinc/25/95/53/542259553.db2.gz FAMCZSBUMCVQNB-AWEZNQCLSA-N 0 3 299.422 2.312 10 0 CEAEHN Cc1cc(NCC[NH+](C)C)c2ccc(C(=O)[O-])cc2n1 ZINC000004226534 361306829 /nfs/dbraw/zinc/30/68/29/361306829.db2.gz JKFCLQQVPLSPCM-UHFFFAOYSA-N 0 3 273.336 2.215 10 0 CEAEHN CC[C@H](C)Oc1cc(CNC(=O)[C@H](N)[C@@H](C)CC)ccn1 ZINC000183068378 189345178 /nfs/dbraw/zinc/34/51/78/189345178.db2.gz KPJRCVXIRXEPEH-SLEUVZQESA-N 0 3 293.411 2.249 10 0 CEAEHN COc1cc(CNc2ccnc(N)c2F)cc(OC)c1O ZINC000027306445 361650017 /nfs/dbraw/zinc/65/00/17/361650017.db2.gz XVVXRDQJYRHLMF-UHFFFAOYSA-N 0 3 293.298 2.138 10 0 CEAEHN CCN1CCC[C@H](NCc2cncn2C(C)C)C1 ZINC000090208724 364049411 /nfs/dbraw/zinc/04/94/11/364049411.db2.gz XSXDJCOXUYIDTK-ZDUSSCGKSA-N 0 3 250.390 2.038 10 0 CEAEHN c1cnn(CC2CCN(Cc3ccccn3)CC2)c1 ZINC000090473536 364059430 /nfs/dbraw/zinc/05/94/30/364059430.db2.gz IGDUUHGEJZWCPW-UHFFFAOYSA-N 0 3 256.353 2.190 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)N[C@@H]1CCCc2ccccc21 ZINC000091134576 364068597 /nfs/dbraw/zinc/06/85/97/364068597.db2.gz CAFHXVBNTHDEQR-UKRRQHHQSA-N 0 3 290.432 2.275 10 0 CEAEHN CC(C)CCSCC(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000113231010 364879344 /nfs/dbraw/zinc/87/93/44/364879344.db2.gz CHJBVNPEXVIBNV-ZIAGYGMSSA-N 0 3 284.469 2.461 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115782845 365025808 /nfs/dbraw/zinc/02/58/08/365025808.db2.gz GKYDGMZYBWXRAU-STQMWFEESA-N 0 3 255.406 2.014 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H](SC)C2)C1 ZINC000117483668 365108710 /nfs/dbraw/zinc/10/87/10/365108710.db2.gz LZXIKHWQWZBKRG-RDBSUJKOSA-N 0 3 299.484 2.444 10 0 CEAEHN Cc1cccc(C)c1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000118793332 365180517 /nfs/dbraw/zinc/18/05/17/365180517.db2.gz KUJSFUFXVOXVQC-AWEZNQCLSA-N 0 3 291.395 2.098 10 0 CEAEHN CCN(C(=O)N(C)C[C@H]1CCCN1CC)C(C)C ZINC000119056424 365209219 /nfs/dbraw/zinc/20/92/19/365209219.db2.gz ALAKDMIHWYPBRA-CYBMUJFWSA-N 0 3 255.406 2.253 10 0 CEAEHN COCOc1ccc(OC)cc1CN[C@@H]1C[C@H]1C ZINC000119224053 365237975 /nfs/dbraw/zinc/23/79/75/365237975.db2.gz YDVXIGWCYMCKLA-ZWNOBZJWSA-N 0 3 251.326 2.176 10 0 CEAEHN CC[C@H](C)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000120499369 365432344 /nfs/dbraw/zinc/43/23/44/365432344.db2.gz CFOMRZRUPUEBFN-RYUDHWBXSA-N 0 3 266.389 2.103 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1csc(CC)n1)N(C)C ZINC000161937976 367123578 /nfs/dbraw/zinc/12/35/78/367123578.db2.gz RNDNPBZWXMERNK-LBPRGKRZSA-N 0 3 283.441 2.095 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)CCc1cccn1C)N(C)C ZINC000162311300 367150967 /nfs/dbraw/zinc/15/09/67/367150967.db2.gz UDQIFNHJXHSUMJ-ZFWWWQNUSA-N 0 3 279.428 2.193 10 0 CEAEHN Cc1cccc(CCCN2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000245534337 370833031 /nfs/dbraw/zinc/83/30/31/370833031.db2.gz DUTBXOONUQFSLO-SJORKVTESA-N 0 3 290.451 2.315 10 0 CEAEHN Cc1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)c(C)c1 ZINC000170832075 367427961 /nfs/dbraw/zinc/42/79/61/367427961.db2.gz CRJVVCLECHMNAC-HNNXBMFYSA-N 0 3 275.396 2.149 10 0 CEAEHN COc1c(F)cc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000171080206 367473478 /nfs/dbraw/zinc/47/34/78/367473478.db2.gz BRUYYBKZXKPWTC-SNVBAGLBSA-N 0 3 299.321 2.141 10 0 CEAEHN CSc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170860278 367433174 /nfs/dbraw/zinc/43/31/74/367433174.db2.gz HKYAJGKUAYXSRF-GFCCVEGCSA-N 0 3 264.394 2.185 10 0 CEAEHN CC[C@H]1CN(Cc2cc(F)ccc2F)CCN1C[C@@H](C)O ZINC000170937890 367450687 /nfs/dbraw/zinc/45/06/87/367450687.db2.gz RJAVSRMCMHKADB-DOMZBBRYSA-N 0 3 298.377 2.242 10 0 CEAEHN CCc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)s1 ZINC000171901536 367635926 /nfs/dbraw/zinc/63/59/26/367635926.db2.gz GJAASQAWNHKRCV-LBPRGKRZSA-N 0 3 293.436 2.300 10 0 CEAEHN CCOC(=O)[C@H](c1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000171930655 367641766 /nfs/dbraw/zinc/64/17/66/367641766.db2.gz BTUQOKMLIOGKCA-CVEARBPZSA-N 0 3 288.391 2.071 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000262590668 284006613 /nfs/dbraw/zinc/00/66/13/284006613.db2.gz UTLACDMGIJSFLR-ZOBUZTSGSA-N 0 3 289.423 2.066 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccccc1OC ZINC000175007069 368088766 /nfs/dbraw/zinc/08/87/66/368088766.db2.gz VYFWCTYBHDBWQR-UONOGXRCSA-N 0 3 288.391 2.394 10 0 CEAEHN CC[C@@H](Oc1ccccc1C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000176455346 368241767 /nfs/dbraw/zinc/24/17/67/368241767.db2.gz RIFPTHMBGZGDEM-HUUCEWRRSA-N 0 3 290.407 2.315 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000177549151 368273363 /nfs/dbraw/zinc/27/33/63/368273363.db2.gz MWCQFRZHJLNVNH-KBPBESRZSA-N 0 3 299.459 2.316 10 0 CEAEHN c1nc2n(n1)C[C@@H](N[C@@H]1CCCOc3ccccc31)CC2 ZINC000180581541 368387270 /nfs/dbraw/zinc/38/72/70/368387270.db2.gz DBTNAFRVHFBHII-GXTWGEPZSA-N 0 3 284.363 2.096 10 0 CEAEHN CCN(C)C(=O)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000181634412 368477044 /nfs/dbraw/zinc/47/70/44/368477044.db2.gz XBJAQCDRMXSUHF-JTQLQIEISA-N 0 3 270.323 2.484 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccc(F)cn1)c1ccccc1 ZINC000181658597 368479858 /nfs/dbraw/zinc/47/98/58/368479858.db2.gz RXGSBSWYGKYKLS-HNNXBMFYSA-N 0 3 287.338 2.253 10 0 CEAEHN Cc1ccc(F)cc1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246030482 370900915 /nfs/dbraw/zinc/90/09/15/370900915.db2.gz WALBEADZHUGNLF-UONOGXRCSA-N 0 3 280.387 2.021 10 0 CEAEHN Cc1ccc(OC[C@@H](O)CN2CCS[C@@H](C)C2)c(C)c1 ZINC000246148957 370916005 /nfs/dbraw/zinc/91/60/05/370916005.db2.gz PDVSMWCWGJGWMU-GJZGRUSLSA-N 0 3 295.448 2.480 10 0 CEAEHN CCCc1cccc(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000186756402 369035412 /nfs/dbraw/zinc/03/54/12/369035412.db2.gz ONXHHSHYPMEJDY-QGZVFWFLSA-N 0 3 276.424 2.402 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(Cc2ccccc2C)CC1 ZINC000187325701 369139649 /nfs/dbraw/zinc/13/96/49/369139649.db2.gz GXFHCOWMBVIGNE-QGZVFWFLSA-N 0 3 276.424 2.274 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(C[C@@H]3CCC=CO3)C2)no1 ZINC000193857030 369986047 /nfs/dbraw/zinc/98/60/47/369986047.db2.gz FZMGDKJISLCNRG-KGLIPLIRSA-N 0 3 277.368 2.325 10 0 CEAEHN CN(c1cccnn1)C1CCN(C[C@H]2CCC=CO2)CC1 ZINC000193894432 369990665 /nfs/dbraw/zinc/99/06/65/369990665.db2.gz VPQKBWPLZDMHKP-OAHLLOKOSA-N 0 3 288.395 2.070 10 0 CEAEHN CNc1cccc(C(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000638072658 370279379 /nfs/dbraw/zinc/27/93/79/370279379.db2.gz UQEYZLSBHVTVNB-HNNXBMFYSA-N 0 3 277.412 2.434 10 0 CEAEHN CCOC(=O)COCCN[C@@H](C)c1ccc(CC)cc1 ZINC000233679574 370520865 /nfs/dbraw/zinc/52/08/65/370520865.db2.gz YWFGBLABQXOMRQ-ZDUSSCGKSA-N 0 3 279.380 2.479 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C(C)C)n[nH]1 ZINC000246841099 371019002 /nfs/dbraw/zinc/01/90/02/371019002.db2.gz BQFFVXTZZATDFD-OLZOCXBDSA-N 0 3 290.411 2.232 10 0 CEAEHN O[C@H](CN1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000246883178 371025536 /nfs/dbraw/zinc/02/55/36/371025536.db2.gz VAPGOEWHBWXNDT-IAGOWNOFSA-N 0 3 284.359 2.268 10 0 CEAEHN CC(=O)c1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000247409960 371103860 /nfs/dbraw/zinc/10/38/60/371103860.db2.gz QBUKMMNVDSEHRL-LRDDRELGSA-N 0 3 286.375 2.198 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247466544 371111835 /nfs/dbraw/zinc/11/18/35/371111835.db2.gz RNAFKOCZRJHQMH-QLFBSQMISA-N 0 3 264.413 2.413 10 0 CEAEHN Cn1cc([C@@H]2CCN(C[C@@H](O)c3ccccc3F)C2)cn1 ZINC000247547286 371124542 /nfs/dbraw/zinc/12/45/42/371124542.db2.gz RVDQNKUJIKRDSJ-MLGOLLRUSA-N 0 3 289.354 2.082 10 0 CEAEHN C[C@H]1C[C@H](NC(=O)[C@@]2(C)CCCCN2)C[C@@H](C)C1 ZINC000248394643 371186325 /nfs/dbraw/zinc/18/63/25/371186325.db2.gz FRZYQXKDTKDYBH-UKTARXLSSA-N 0 3 252.402 2.460 10 0 CEAEHN COC(=O)c1cc(CN2CCN3CCCC[C@H]3C2)oc1C ZINC000248356735 371179008 /nfs/dbraw/zinc/17/90/08/371179008.db2.gz ORCTYQGMEBMTTQ-ZDUSSCGKSA-N 0 3 292.379 2.045 10 0 CEAEHN C[C@@H]1CN(CCN(C)Cc2ccc(F)cc2)[C@@H](C)CO1 ZINC000248584552 371217479 /nfs/dbraw/zinc/21/74/79/371217479.db2.gz XCURFOLVNOAAHF-UONOGXRCSA-N 0 3 280.387 2.367 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248875851 371259262 /nfs/dbraw/zinc/25/92/62/371259262.db2.gz RBZGSZGXXMRWGJ-LUYZLQTOSA-N 0 3 287.407 2.215 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1coc(C)c1 ZINC000249093952 371293398 /nfs/dbraw/zinc/29/33/98/371293398.db2.gz XBURHKAHJZEHOM-KGLIPLIRSA-N 0 3 262.353 2.287 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCOC(C)C ZINC000249716011 371355068 /nfs/dbraw/zinc/35/50/68/371355068.db2.gz ILBFQTBZZBDVIU-IHRRRGAJSA-N 0 3 269.385 2.218 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCCC[C@H]2C)C1 ZINC000249748652 371359254 /nfs/dbraw/zinc/35/92/54/371359254.db2.gz BCPYWOPESYIXPN-OLZOCXBDSA-N 0 3 253.390 2.055 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H](C)C2)C1 ZINC000249810140 371363742 /nfs/dbraw/zinc/36/37/42/371363742.db2.gz YILFHYFAUKXOFU-MCIONIFRSA-N 0 3 267.417 2.349 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000253354234 371508432 /nfs/dbraw/zinc/50/84/32/371508432.db2.gz JCSQNDOPBWWWLN-CWRNSKLLSA-N 0 3 290.407 2.221 10 0 CEAEHN C/C(=C/c1ccccc1)CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000255561229 371594139 /nfs/dbraw/zinc/59/41/39/371594139.db2.gz YEPKEDXJSIUJIN-ZMGFTNJLSA-N 0 3 288.435 2.477 10 0 CEAEHN Cc1c(CN2CCNC[C@@H]2c2cccc(F)c2)cnn1C ZINC000261602546 371673394 /nfs/dbraw/zinc/67/33/94/371673394.db2.gz ALPWSIUJDHDKKB-MRXNPFEDSA-N 0 3 288.370 2.014 10 0 CEAEHN CCc1ncnc(NC[C@H]2NCCc3ccccc32)c1F ZINC000261763699 371724672 /nfs/dbraw/zinc/72/46/72/371724672.db2.gz VEURJELLMAQHJP-CQSZACIVSA-N 0 3 286.354 2.477 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@H](N)C1CCOCC1 ZINC000261788646 371732296 /nfs/dbraw/zinc/73/22/96/371732296.db2.gz NKMCVRRJCGCKAW-UMVBOHGHSA-N 0 3 282.428 2.073 10 0 CEAEHN CCOCCN1CCN(Cc2cccc(N)c2)C[C@H]1CC ZINC000261655914 371694648 /nfs/dbraw/zinc/69/46/48/371694648.db2.gz IJGPTHHRQNTRPX-QGZVFWFLSA-N 0 3 291.439 2.202 10 0 CEAEHN CCCC[C@H](CCC)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261668511 371697827 /nfs/dbraw/zinc/69/78/27/371697827.db2.gz AAKPLQGNNDLEKH-ZFWWWQNUSA-N 0 3 284.444 2.463 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)[C@H](N)C1CCOCC1 ZINC000261860814 371753527 /nfs/dbraw/zinc/75/35/27/371753527.db2.gz SGJWGSHMCZHVLO-GXTWGEPZSA-N 0 3 270.417 2.071 10 0 CEAEHN O=C(Nc1cccc2ccccc21)[C@H]1CNCCOC1 ZINC000643614920 373221124 /nfs/dbraw/zinc/22/11/24/373221124.db2.gz QLCKSDZMPTZRRM-ZDUSSCGKSA-N 0 3 270.332 2.014 10 0 CEAEHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CNCCOC1 ZINC000643615288 373222666 /nfs/dbraw/zinc/22/26/66/373222666.db2.gz ZPCWQSWWJHMYGV-QMMMGPOBSA-N 0 3 289.162 2.168 10 0 CEAEHN CC[C@H](NC(=O)[C@H]1CNCCOC1)c1ccc(Cl)cc1 ZINC000643625870 373225434 /nfs/dbraw/zinc/22/54/34/373225434.db2.gz SYKARECRPLIEJP-JSGCOSHPSA-N 0 3 296.798 2.143 10 0 CEAEHN CC1(C)CN[C@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000643987649 373326493 /nfs/dbraw/zinc/32/64/93/373326493.db2.gz BHNJENDJVNASKE-KBPBESRZSA-N 0 3 258.365 2.178 10 0 CEAEHN Clc1ccccc1Cc1noc([C@@H]2CNCCOC2)n1 ZINC000644511198 373503210 /nfs/dbraw/zinc/50/32/10/373503210.db2.gz FXYBYPRWKNMHNE-LLVKDONJSA-N 0 3 293.754 2.017 10 0 CEAEHN CC1(C)CN[C@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000645300090 373976583 /nfs/dbraw/zinc/97/65/83/373976583.db2.gz UJWIBMXYXQFBLJ-RTBKNWGFSA-N 0 3 278.318 2.222 10 0 CEAEHN CCN1CC[C@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000389517883 375305549 /nfs/dbraw/zinc/30/55/49/375305549.db2.gz GKCZUQJLIQSKPJ-LBPRGKRZSA-N 0 3 296.798 2.295 10 0 CEAEHN COc1ccc([C@H](C)N[C@H]2CCC(=O)N[C@H]2C)c(F)c1 ZINC000282391834 375473416 /nfs/dbraw/zinc/47/34/16/375473416.db2.gz RDHYRDPXNRJZSP-BHDSKKPTSA-N 0 3 280.343 2.152 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cccc(Cl)c1 ZINC000282218174 375431817 /nfs/dbraw/zinc/43/18/17/375431817.db2.gz DUSASSQDOASMCL-BXKDBHETSA-N 0 3 252.745 2.097 10 0 CEAEHN Cc1cc(CN[C@H]2CCC(=O)N[C@H]2C)c(C)s1 ZINC000282301667 375453045 /nfs/dbraw/zinc/45/30/45/375453045.db2.gz JULNMGPMHWRWHT-CABZTGNLSA-N 0 3 252.383 2.122 10 0 CEAEHN COc1ccc(F)cc1CNC[C@@H](O)C(C)(C)C ZINC000291297661 377164815 /nfs/dbraw/zinc/16/48/15/377164815.db2.gz WGZHWFCZJPEPEV-CYBMUJFWSA-N 0 3 255.333 2.331 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(Cc2ccc3ncccc3c2)C1 ZINC000334748758 207010426 /nfs/dbraw/zinc/01/04/26/207010426.db2.gz YSTNITZUYAQRJC-IUODEOHRSA-N 0 3 256.349 2.438 10 0 CEAEHN C[C@H](NC1CCN(C(N)=O)CC1)c1cc(F)ccc1F ZINC000037272428 542279327 /nfs/dbraw/zinc/27/93/27/542279327.db2.gz ZZUTZSQKAOCIQN-VIFPVBQESA-N 0 3 283.322 2.159 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2cccc3cnccc32)CC1 ZINC000183289003 542291125 /nfs/dbraw/zinc/29/11/25/542291125.db2.gz RSUZVCPTZYUVKV-QGZVFWFLSA-N 0 3 299.418 2.123 10 0 CEAEHN CCCN(C1CC1)S(=O)(=O)c1cc(CN)c(C)cc1C ZINC000088946086 184615321 /nfs/dbraw/zinc/61/53/21/184615321.db2.gz DIUHQOFRAAILFC-UHFFFAOYSA-N 0 3 296.436 2.325 10 0 CEAEHN CCN[C@@H](Cc1ccn(C2CCCC2)n1)C(OC)OC ZINC000093305093 184661978 /nfs/dbraw/zinc/66/19/78/184661978.db2.gz JXTPZXPGEXSHHW-AWEZNQCLSA-N 0 3 281.400 2.138 10 0 CEAEHN CCc1nnc(CN2C[C@@H]3CCCCN3C[C@@H]2C)s1 ZINC000392061660 542375295 /nfs/dbraw/zinc/37/52/95/542375295.db2.gz CSPLROMTEUZPBT-RYUDHWBXSA-N 0 3 280.441 2.159 10 0 CEAEHN CC[C@@H](N)[C@@H](C)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000081930714 177901214 /nfs/dbraw/zinc/90/12/14/177901214.db2.gz CPEZHXFIGSWHQU-QMTHXVAHSA-N 0 3 267.394 2.075 10 0 CEAEHN CC(C)[C@H](C)CNCc1cc(C(N)=O)ccc1F ZINC000081057425 177762619 /nfs/dbraw/zinc/76/26/19/177762619.db2.gz XJXJGSIENJKNTE-SNVBAGLBSA-N 0 3 252.333 2.306 10 0 CEAEHN O=C1[C@@H]2CN(Cc3ccsc3)C[C@@H]2CN1c1cccnc1 ZINC000247846301 256696726 /nfs/dbraw/zinc/69/67/26/256696726.db2.gz DNZGVNIZPUTSIK-UKRRQHHQSA-N 0 3 299.399 2.238 10 0 CEAEHN COC(=O)c1cccc(NC(=O)[C@@]2(N)CCC[C@H](C)C2)c1 ZINC000080927998 177731568 /nfs/dbraw/zinc/73/15/68/177731568.db2.gz BJGRTIGAQGEZFU-MEDUHNTESA-N 0 3 290.363 2.319 10 0 CEAEHN C[C@H](NCC(C)(C)S(C)(=O)=O)c1ccccc1 ZINC000093519615 184687405 /nfs/dbraw/zinc/68/74/05/184687405.db2.gz WMKJSHPMUMHBAB-NSHDSACASA-N 0 3 255.383 2.160 10 0 CEAEHN CN[C@H](c1cccc(F)c1)[C@H]1CN(C(C)C)CCO1 ZINC000093927183 184744824 /nfs/dbraw/zinc/74/48/24/184744824.db2.gz CLQSBQZYDXUTFD-HUUCEWRRSA-N 0 3 266.360 2.195 10 0 CEAEHN CCOCCN(CC)C[C@@H]1C(=O)C(C)(C)OC1(C)C ZINC000094429547 184797414 /nfs/dbraw/zinc/79/74/14/184797414.db2.gz OSNQWWNCHZWKFA-GFCCVEGCSA-N 0 3 271.401 2.118 10 0 CEAEHN CCCN[C@H](C)c1cc(F)ccc1OC[C@H](O)COC ZINC000094620302 184827309 /nfs/dbraw/zinc/82/73/09/184827309.db2.gz UNJYATMUPGBQFY-DGCLKSJQSA-N 0 3 285.359 2.272 10 0 CEAEHN C[C@@H](Oc1ccc(CNC(C)(C)C)nc1)[C@H](C)O ZINC000094653711 184835716 /nfs/dbraw/zinc/83/57/16/184835716.db2.gz VNDZBMKFJNFNMG-WDEREUQCSA-N 0 3 252.358 2.118 10 0 CEAEHN Cn1nccc1C1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000191072748 130180183 /nfs/dbraw/zinc/18/01/83/130180183.db2.gz JPFNKWRDWXCYFG-AWEZNQCLSA-N 0 3 261.369 2.292 10 0 CEAEHN Nc1ccccc1N1CCN(CCC[C@H]2CCCO2)CC1 ZINC000087263311 135049780 /nfs/dbraw/zinc/04/97/80/135049780.db2.gz JNWSPNHMFHPFCE-HNNXBMFYSA-N 0 3 289.423 2.350 10 0 CEAEHN C[C@H](N)c1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906413 135065872 /nfs/dbraw/zinc/06/58/72/135065872.db2.gz YBIHWMHKKZCQBM-ZMLRMANQSA-N 0 3 250.317 2.213 10 0 CEAEHN C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@H](C)N1 ZINC000090802704 135065986 /nfs/dbraw/zinc/06/59/86/135065986.db2.gz OMSZQEIIHGGABW-DTORHVGOSA-N 0 3 259.275 2.287 10 0 CEAEHN CC[C@@]1(CO)CCCN(c2cc(N3CCCC3)cnn2)C1 ZINC000091793864 135073932 /nfs/dbraw/zinc/07/39/32/135073932.db2.gz RUSNKIJXSWSPCS-MRXNPFEDSA-N 0 3 290.411 2.066 10 0 CEAEHN C[C@H]1CCCN(C(=O)N2C[C@@H](N)Cc3ccccc32)C1 ZINC000091991330 135074548 /nfs/dbraw/zinc/07/45/48/135074548.db2.gz UUGNNDDHXFARII-JSGCOSHPSA-N 0 3 273.380 2.228 10 0 CEAEHN Cc1cc(C)c(CO)c(N2C[C@@H]3CCCCN3C[C@@H]2C)n1 ZINC000094440243 135087956 /nfs/dbraw/zinc/08/79/56/135087956.db2.gz QNCBPOWSERDGRR-GJZGRUSLSA-N 0 3 289.423 2.254 10 0 CEAEHN CC(C)NCc1cccnc1N1CCN2CCCC[C@@H]2C1 ZINC000094443186 135088571 /nfs/dbraw/zinc/08/85/71/135088571.db2.gz ITAVFVINNVOKCY-MRXNPFEDSA-N 0 3 288.439 2.254 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)CN(C)C[C@H]1CCCN1CC ZINC000245474325 394499994 /nfs/dbraw/zinc/49/99/94/394499994.db2.gz QUNJNCRBVGJPAM-HZPDHXFCSA-N 0 3 295.471 2.194 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2cccc(C)c2)C1 ZINC000052522750 394557844 /nfs/dbraw/zinc/55/78/44/394557844.db2.gz DWCGBGJTABZNKH-OAHLLOKOSA-N 0 3 275.396 2.279 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H](C)Cc2cccs2)C1 ZINC000057824408 394564106 /nfs/dbraw/zinc/56/41/06/394564106.db2.gz BZZIVYYAZSIKPJ-STQMWFEESA-N 0 3 295.452 2.463 10 0 CEAEHN C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246838856 394522336 /nfs/dbraw/zinc/52/23/36/394522336.db2.gz DGAXPCHQFPJNOZ-CZUORRHYSA-N 0 3 278.371 2.293 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccnn2C(C)C)C1 ZINC000049210940 394543031 /nfs/dbraw/zinc/54/30/31/394543031.db2.gz NWGFHCDPRVOMIG-GFCCVEGCSA-N 0 3 279.388 2.070 10 0 CEAEHN CC[C@](C)(O)CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000249380372 394554443 /nfs/dbraw/zinc/55/44/43/394554443.db2.gz OZELFFGQGUMXHK-IRXDYDNUSA-N 0 3 275.392 2.321 10 0 CEAEHN C[C@H](C(=O)N1CCC[C@H]1CCCO)N1[C@H](C)CC[C@@H]1C ZINC000413648111 394609343 /nfs/dbraw/zinc/60/93/43/394609343.db2.gz LRJPJHHJQVYWFJ-BARDWOONSA-N 0 3 282.428 2.011 10 0 CEAEHN C[C@H](C(=O)N1CCC[C@@H]1CCCO)N1[C@H](C)CC[C@@H]1C ZINC000413648117 394609420 /nfs/dbraw/zinc/60/94/20/394609420.db2.gz LRJPJHHJQVYWFJ-LXTVHRRPSA-N 0 3 282.428 2.011 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000262578103 394620398 /nfs/dbraw/zinc/62/03/98/394620398.db2.gz PJEJSJLQACQGLT-RVMXOQNASA-N 0 3 270.417 2.070 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC2CCN(OC)CC2)c1C ZINC000421872477 394623351 /nfs/dbraw/zinc/62/33/51/394623351.db2.gz GVVXVBFJPODOAC-LLVKDONJSA-N 0 3 280.416 2.196 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2ccccc2[nH]1 ZINC000083550328 394640389 /nfs/dbraw/zinc/64/03/89/394640389.db2.gz BUVVPNOBJFYXIM-GXTWGEPZSA-N 0 3 283.375 2.477 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC[C@@H](C)C2)C1 ZINC000131843580 394919778 /nfs/dbraw/zinc/91/97/78/394919778.db2.gz YYAOADGGEREXPP-HZSPNIEDSA-N 0 3 267.417 2.157 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000131843982 394920385 /nfs/dbraw/zinc/92/03/85/394920385.db2.gz YYAOADGGEREXPP-RDBSUJKOSA-N 0 3 267.417 2.157 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)c1nc(C)cs1)N(C)C ZINC000131938515 394921920 /nfs/dbraw/zinc/92/19/20/394921920.db2.gz CKBMPCRRJAHXLD-GHMZBOCLSA-N 0 3 269.414 2.359 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc2c1CCCN2 ZINC000176975510 395143590 /nfs/dbraw/zinc/14/35/90/395143590.db2.gz HPEIYVFBRIPNTN-UONOGXRCSA-N 0 3 299.418 2.353 10 0 CEAEHN O[C@@H]1CCC[C@@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000383269972 395184829 /nfs/dbraw/zinc/18/48/29/395184829.db2.gz FSYQLOHLNFZRQP-NVXWUHKLSA-N 0 3 274.408 2.360 10 0 CEAEHN CCN1CC[C@@H](NC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000390224039 395198783 /nfs/dbraw/zinc/19/87/83/395198783.db2.gz ZYPLXKNJFUWUOJ-CQSZACIVSA-N 0 3 275.352 2.105 10 0 CEAEHN Fc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2ncnn2C1 ZINC000180605506 395204592 /nfs/dbraw/zinc/20/45/92/395204592.db2.gz DATCQENWQNGASI-GXTWGEPZSA-N 0 3 272.327 2.009 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000180602354 395204958 /nfs/dbraw/zinc/20/49/58/395204958.db2.gz DLKRYBPDCKNOMY-ZANVPECISA-N 0 3 278.306 2.222 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1Cc1ccns1 ZINC000404334244 395282652 /nfs/dbraw/zinc/28/26/52/395282652.db2.gz AQIPOLZEEIJEQQ-VXGBXAGGSA-N 0 3 251.399 2.202 10 0 CEAEHN CC(=O)CCN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186036934 395284718 /nfs/dbraw/zinc/28/47/18/395284718.db2.gz QWTTZZYHKAROIC-MJBXVCDLSA-N 0 3 296.411 2.201 10 0 CEAEHN CCOc1cc(CNCCn2ccnc2C)ccc1O ZINC000298239611 395354188 /nfs/dbraw/zinc/35/41/88/395354188.db2.gz CDTVGOVTXJRKMN-UHFFFAOYSA-N 0 3 275.352 2.086 10 0 CEAEHN CC(=O)CC(C)(C)CC(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000191850165 395365635 /nfs/dbraw/zinc/36/56/35/395365635.db2.gz JTTNHIPCRSRJCO-TZMCWYRMSA-N 0 3 280.412 2.077 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC000194631527 395444463 /nfs/dbraw/zinc/44/44/63/395444463.db2.gz TTYWOCHMKMCHEB-OAHLLOKOSA-N 0 3 290.407 2.283 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCc2ccsc2)C1 ZINC000194635140 395444911 /nfs/dbraw/zinc/44/49/11/395444911.db2.gz OYMQHNHCUJKWKU-ZDUSSCGKSA-N 0 3 266.410 2.281 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000036871077 400113008 /nfs/dbraw/zinc/11/30/08/400113008.db2.gz MICIWSJWRKYDNE-MFRLZJNGSA-N 0 3 264.413 2.445 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000037046184 400115109 /nfs/dbraw/zinc/11/51/09/400115109.db2.gz FJBMUUXJUCBYRU-SMDDNHRTSA-N 0 3 264.369 2.390 10 0 CEAEHN NCc1cn(Cc2cc(Cl)ccc2OC(F)F)nn1 ZINC000050224964 400238363 /nfs/dbraw/zinc/23/83/63/400238363.db2.gz IVYGZMUENCBKLT-UHFFFAOYSA-N 0 3 288.685 2.040 10 0 CEAEHN CCO[C@@H]1C[C@@](N)(C(=O)N(CC2CC2)CC2CC2)C1(C)C ZINC000157296338 286304786 /nfs/dbraw/zinc/30/47/86/286304786.db2.gz XECBGEAHZMOPBA-RHSMWYFYSA-N 0 3 294.439 2.168 10 0 CEAEHN Cc1ccccc1CCCN1CCCNC(=O)[C@H]1C ZINC000189295620 153090610 /nfs/dbraw/zinc/09/06/10/153090610.db2.gz XVGMZLTXHMXJQP-CQSZACIVSA-N 0 3 260.381 2.138 10 0 CEAEHN FC(F)C(F)(F)COCCN1CCN2CCCC[C@H]2C1 ZINC000189683471 153107915 /nfs/dbraw/zinc/10/79/15/153107915.db2.gz JDUUGYCMACFIOC-NSHDSACASA-N 0 3 298.324 2.074 10 0 CEAEHN CCn1nccc1CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190286627 153122223 /nfs/dbraw/zinc/12/22/23/153122223.db2.gz LHSORUMIWSUCKG-ZFWWWQNUSA-N 0 3 291.420 2.172 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(C[C@H](O)CC2CCCC2)C1 ZINC000190500275 153131645 /nfs/dbraw/zinc/13/16/45/153131645.db2.gz XVIRHUJWVQATFW-JKSUJKDBSA-N 0 3 296.455 2.308 10 0 CEAEHN Cn1cc([C@H]2CCCN2C[C@H](O)CC2CCCC2)cn1 ZINC000191333651 153169159 /nfs/dbraw/zinc/16/91/59/153169159.db2.gz XYMBLBRQXKLRJY-HZPDHXFCSA-N 0 3 277.412 2.498 10 0 CEAEHN C[C@H](NCCN1C(=O)CCC1=O)c1ccc(Cl)s1 ZINC000193116524 153227457 /nfs/dbraw/zinc/22/74/57/153227457.db2.gz HNTRMMWWGWUXOY-QMMMGPOBSA-N 0 3 286.784 2.201 10 0 CEAEHN O=C(c1ccc2ccccc2n1)N1CCN2CCC[C@@H]2C1 ZINC000195313811 153281551 /nfs/dbraw/zinc/28/15/51/153281551.db2.gz ULAQHTSAEJRFPI-CQSZACIVSA-N 0 3 281.359 2.155 10 0 CEAEHN CCn1cc(C2CCN(CCSC)CC2)cn1 ZINC000195513057 153290346 /nfs/dbraw/zinc/29/03/46/153290346.db2.gz HOJDQYFBZXRWGW-UHFFFAOYSA-N 0 3 253.415 2.445 10 0 CEAEHN CC(C)COCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000222920856 153316973 /nfs/dbraw/zinc/31/69/73/153316973.db2.gz DBTWEOKFMJOICM-GJZGRUSLSA-N 0 3 254.418 2.218 10 0 CEAEHN OC[C@@H]1CN(C[C@@H]2CCCCO2)C[C@@H]1c1ccsc1 ZINC000249594432 153704740 /nfs/dbraw/zinc/70/47/40/153704740.db2.gz WKZQELAEBHJKMW-SOUVJXGZSA-N 0 3 281.421 2.325 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@@H](C)c2nccn2C)C12CCOCC2 ZINC000186304301 286395857 /nfs/dbraw/zinc/39/58/57/286395857.db2.gz NAWOZIGOVGRRJE-MELADBBJSA-N 0 3 293.411 2.045 10 0 CEAEHN CSc1ccc(-c2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263179822 154032561 /nfs/dbraw/zinc/03/25/61/154032561.db2.gz GPIRZTSPASSSLP-GFCCVEGCSA-N 0 3 290.392 2.035 10 0 CEAEHN CCCc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263216965 154034533 /nfs/dbraw/zinc/03/45/33/154034533.db2.gz LAJKDCRWLYRDHD-AWEZNQCLSA-N 0 3 286.379 2.265 10 0 CEAEHN CCCc1ccc(-c2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263216966 154035086 /nfs/dbraw/zinc/03/50/86/154035086.db2.gz LAJKDCRWLYRDHD-CQSZACIVSA-N 0 3 286.379 2.265 10 0 CEAEHN CC[C@@H](OC1CCCC1)c1nc([C@H]2CNCCN2C)no1 ZINC000263221679 154039312 /nfs/dbraw/zinc/03/93/12/154039312.db2.gz LZDMKJSIIMOOEN-CHWSQXEVSA-N 0 3 294.399 2.056 10 0 CEAEHN Cc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1Cl ZINC000263301508 154051693 /nfs/dbraw/zinc/05/16/93/154051693.db2.gz XAZWFTKPTDHJDW-LBPRGKRZSA-N 0 3 292.770 2.275 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2sccc2C2CC2)n1 ZINC000263317863 154056792 /nfs/dbraw/zinc/05/67/92/154056792.db2.gz ZSTVAOVEOOWXKK-NSHDSACASA-N 0 3 290.392 2.252 10 0 CEAEHN CO[C@@H]1C[C@H](CO)N(Cc2csc3ccccc23)C1 ZINC000344081015 154269288 /nfs/dbraw/zinc/26/92/88/154269288.db2.gz CJDGNJPFKKEWKK-CHWSQXEVSA-N 0 3 277.389 2.483 10 0 CEAEHN Cc1cccc2[nH]cc(CC(=O)N3CCN4CCC[C@H]4C3)c21 ZINC000170894079 162374333 /nfs/dbraw/zinc/37/43/33/162374333.db2.gz BIGZRYLZNONRGO-HNNXBMFYSA-N 0 3 297.402 2.325 10 0 CEAEHN CSc1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000170937512 162375087 /nfs/dbraw/zinc/37/50/87/162375087.db2.gz ZCFDHXIDGBGDKT-ZIAGYGMSSA-N 0 3 294.464 2.295 10 0 CEAEHN C[C@@H](c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173934231 165092265 /nfs/dbraw/zinc/09/22/65/165092265.db2.gz JEAPGGMTGADLRZ-HOCLYGCPSA-N 0 3 260.381 2.154 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC=CCC1 ZINC000176275497 165159068 /nfs/dbraw/zinc/15/90/68/165159068.db2.gz FRPYJBGLMULFSF-LSDHHAIUSA-N 0 3 279.428 2.468 10 0 CEAEHN CCCn1nccc1NC(=O)N(C)C[C@H]1CCCN1CC ZINC000176278110 165159425 /nfs/dbraw/zinc/15/94/25/165159425.db2.gz LJCKDPQENUIVLD-CYBMUJFWSA-N 0 3 293.415 2.241 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C(C)C)nn1C ZINC000177024867 165187320 /nfs/dbraw/zinc/18/73/20/165187320.db2.gz HUPWDKXGYSGVMD-ZDUSSCGKSA-N 0 3 292.427 2.100 10 0 CEAEHN C[C@H](CCc1ccccc1)N1CCO[C@H](CN(C)C)C1 ZINC000178617922 165252838 /nfs/dbraw/zinc/25/28/38/165252838.db2.gz PGDRWCBHZZOBRZ-NVXWUHKLSA-N 0 3 276.424 2.270 10 0 CEAEHN CC[C@H]1CN(Cc2cc(F)ccc2C)CCN1C[C@@H](C)O ZINC000180099358 165295097 /nfs/dbraw/zinc/29/50/97/165295097.db2.gz OYLFRWCTGFYWRC-PBHICJAKSA-N 0 3 294.414 2.411 10 0 CEAEHN Cc1nc([C@H]2CN(CC3CCCCCC3)CCO2)n[nH]1 ZINC000180105161 165297388 /nfs/dbraw/zinc/29/73/88/165297388.db2.gz ONCKKNYJGRIMKA-CQSZACIVSA-N 0 3 278.400 2.457 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CC23CCCCC3)C1 ZINC000180396619 165307365 /nfs/dbraw/zinc/30/73/65/165307365.db2.gz IKQNPGZHCXQWLM-UONOGXRCSA-N 0 3 279.428 2.493 10 0 CEAEHN Cn1c(CN[C@H](CCO)C2CCCCC2)nnc1C1CC1 ZINC000181492133 165344548 /nfs/dbraw/zinc/34/45/48/165344548.db2.gz FZWBPDQUQRUSFU-CQSZACIVSA-N 0 3 292.427 2.113 10 0 CEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CCOC)C(C)C ZINC000182231061 165365407 /nfs/dbraw/zinc/36/54/07/165365407.db2.gz IPVJTVLBMHGUKI-STQMWFEESA-N 0 3 280.416 2.326 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1sccc1COC ZINC000182272253 165370038 /nfs/dbraw/zinc/37/00/38/165370038.db2.gz DHHGDGNUXGYHKS-ZDUSSCGKSA-N 0 3 296.436 2.451 10 0 CEAEHN Cc1ccc(F)cc1CN1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284337240 196033820 /nfs/dbraw/zinc/03/38/20/196033820.db2.gz BYOWABIPLBYZHN-CVEARBPZSA-N 0 3 278.371 2.039 10 0 CEAEHN Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C[NH3+])c2)cc1 ZINC000020189215 171054714 /nfs/dbraw/zinc/05/47/14/171054714.db2.gz AILKZBJZWUYOGP-UHFFFAOYSA-N 0 3 294.351 2.394 10 0 CEAEHN C[C@H](N)c1ccccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000020419502 171184654 /nfs/dbraw/zinc/18/46/54/171184654.db2.gz MGWLKKFNKHJKKF-QWRGUYRKSA-N 0 3 264.369 2.388 10 0 CEAEHN CC(C)[C@@H](C)NS(=O)(=O)c1cccc([C@H](C)N)c1 ZINC000020523652 171236077 /nfs/dbraw/zinc/23/60/77/171236077.db2.gz NJLMCPAPWDQISR-WDEREUQCSA-N 0 3 270.398 2.029 10 0 CEAEHN COC(C)(C)C[C@H](C)NCc1nnc2ccccn21 ZINC000020524714 171237848 /nfs/dbraw/zinc/23/78/48/171237848.db2.gz VODIFTUALHTXLR-NSHDSACASA-N 0 3 262.357 2.023 10 0 CEAEHN COc1ccc(NC(=O)CN(C)C2CCCCC2)c(N)c1 ZINC000022209362 171373172 /nfs/dbraw/zinc/37/31/72/171373172.db2.gz SSCLLKCIFURSNW-UHFFFAOYSA-N 0 3 291.395 2.480 10 0 CEAEHN CC(C)(C)c1ccc([C@@H](N)CN2C(=O)CCC2=O)cc1 ZINC000022564474 171392031 /nfs/dbraw/zinc/39/20/31/171392031.db2.gz BYUNGNGABHEGGQ-ZDUSSCGKSA-N 0 3 274.364 2.133 10 0 CEAEHN Cc1nn(-c2ccccc2)c(C)c1CNCCN(C)C ZINC000035161785 172021133 /nfs/dbraw/zinc/02/11/33/172021133.db2.gz JYDVNNXZKUWCAM-UHFFFAOYSA-N 0 3 272.396 2.140 10 0 CEAEHN Cc1nc2cc(NCCN(C)C)c(N)cc2s1 ZINC000035342437 172134743 /nfs/dbraw/zinc/13/47/43/172134743.db2.gz IVOOZWSRSGDLHV-UHFFFAOYSA-N 0 3 250.371 2.160 10 0 CEAEHN C[C@H](N)c1ccc2ccccc2c1OCC(=O)N(C)C ZINC000035427351 172194590 /nfs/dbraw/zinc/19/45/90/172194590.db2.gz SEKQXSMZIOVROP-NSHDSACASA-N 0 3 272.348 2.327 10 0 CEAEHN CCCNCc1c(N(C)C2CC2)nc2sccn12 ZINC000035430079 172198203 /nfs/dbraw/zinc/19/82/03/172198203.db2.gz VUPFLKJWRSAFHT-UHFFFAOYSA-N 0 3 264.398 2.494 10 0 CEAEHN CN(Cc1ccccc1)c1nc2sccn2c1CN ZINC000035429756 172198332 /nfs/dbraw/zinc/19/83/32/172198332.db2.gz IGCQOSMBRHWISS-UHFFFAOYSA-N 0 3 272.377 2.491 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 ZINC000035545071 172252609 /nfs/dbraw/zinc/25/26/09/172252609.db2.gz UMLQAGABJNMJPQ-ZFWWWQNUSA-N 0 3 263.337 2.287 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@H](N)[C@@H](c2ccccc2F)C1 ZINC000035571755 172267709 /nfs/dbraw/zinc/26/77/09/172267709.db2.gz WKQFPVZPKMAOHI-YPMHNXCESA-N 0 3 280.343 2.487 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1c(Cl)cc(Cl)cc1CN ZINC000035661889 172339184 /nfs/dbraw/zinc/33/91/84/172339184.db2.gz PFIOZOLDWSIADC-SSDOTTSWSA-N 0 3 291.178 2.356 10 0 CEAEHN CCN[C@@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@H]1C ZINC000035760910 172399601 /nfs/dbraw/zinc/39/96/01/172399601.db2.gz CFGLDJRGASSOOT-PELKAZGASA-N 0 3 273.785 2.414 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1cc(C(=O)NC)ccc1Cl ZINC000037030391 172897527 /nfs/dbraw/zinc/89/75/27/172897527.db2.gz NTCJIAKPBWEABE-UFBFGSQYSA-N 0 3 297.786 2.012 10 0 CEAEHN CCCCCN(C)c1c(CNCC)c(C)nn1C ZINC000037171960 173005373 /nfs/dbraw/zinc/00/53/73/173005373.db2.gz MTMGXCWWAPTEKC-UHFFFAOYSA-N 0 3 252.406 2.464 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000037386422 173169444 /nfs/dbraw/zinc/16/94/44/173169444.db2.gz LPDRKHITFAIBTA-JTQLQIEISA-N 0 3 266.341 2.030 10 0 CEAEHN CC(C)NCC(=O)Nc1ccccc1OC(F)F ZINC000037386979 173170723 /nfs/dbraw/zinc/17/07/23/173170723.db2.gz ZLHKKPWMDWLMHQ-UHFFFAOYSA-N 0 3 258.268 2.225 10 0 CEAEHN CCOc1ccc(CNCCCC(=O)OC)cc1 ZINC000037395206 173175219 /nfs/dbraw/zinc/17/52/19/173175219.db2.gz SNTGJWNUPPWGDI-UHFFFAOYSA-N 0 3 251.326 2.128 10 0 CEAEHN CC(C)CN(CC(F)(F)F)C(=O)[C@@H](N)C(C)C ZINC000037813263 173759944 /nfs/dbraw/zinc/75/99/44/173759944.db2.gz VVEDUCDVSHEJEI-VIFPVBQESA-N 0 3 254.296 2.017 10 0 CEAEHN CCC[C@](C)(N)C(=O)N(Cc1cccnc1)C(C)C ZINC000037822224 173775721 /nfs/dbraw/zinc/77/57/21/173775721.db2.gz YHYVTHURRPLVFS-HNNXBMFYSA-N 0 3 263.385 2.336 10 0 CEAEHN O=C(Nc1ccccc1[O-])[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000039947527 174176192 /nfs/dbraw/zinc/17/61/92/174176192.db2.gz FYSOHJDRUMJJQE-NTZNESFSSA-N 0 3 260.337 2.251 10 0 CEAEHN CCN(CC)C(=O)CN[C@@H](C)COc1ccc(C)cc1 ZINC000040499888 174296401 /nfs/dbraw/zinc/29/64/01/174296401.db2.gz QMZVIQBBQLIOOM-AWEZNQCLSA-N 0 3 278.396 2.220 10 0 CEAEHN CCN1CCC[C@H](NCc2cnn(C(C)(C)C)c2)C1 ZINC000040502959 174299087 /nfs/dbraw/zinc/29/90/87/174299087.db2.gz APUKEIJVWHODKB-AWEZNQCLSA-N 0 3 264.417 2.212 10 0 CEAEHN Cc1cc(C)c(CN)c(OCc2ccc3c(c2)OCO3)n1 ZINC000040509648 174303885 /nfs/dbraw/zinc/30/38/85/174303885.db2.gz RHGZSDUCZKXIGI-UHFFFAOYSA-N 0 3 286.331 2.465 10 0 CEAEHN COC(=O)C[C@@H](C)N[C@H](C)c1sc(C)nc1C ZINC000040518626 174308004 /nfs/dbraw/zinc/30/80/04/174308004.db2.gz CERCSJIZHNOHSX-HTQZYQBOSA-N 0 3 256.371 2.362 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)[C@](C)(N)C2CC2)s1 ZINC000040519118 174308381 /nfs/dbraw/zinc/30/83/81/174308381.db2.gz OEQYYMLWZUAYLH-AMIZOPFISA-N 0 3 267.398 2.065 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519008 174308850 /nfs/dbraw/zinc/30/88/50/174308850.db2.gz BFHLVTYFJPKOKD-HDBBIHSSSA-N 0 3 269.414 2.311 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3ccccc3C)c[nH]2)C1 ZINC000040637845 174361640 /nfs/dbraw/zinc/36/16/40/174361640.db2.gz IWWHVBKSEFUFMV-YPMHNXCESA-N 0 3 257.337 2.435 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3ccc(F)cc3F)c[nH]2)C1 ZINC000040637851 174361771 /nfs/dbraw/zinc/36/17/71/174361771.db2.gz SAEMIBPLOBOQGZ-BXKDBHETSA-N 0 3 279.290 2.404 10 0 CEAEHN Cn1ccnc1CCNCc1cc2c(c(Cl)c1)OCO2 ZINC000040638997 174363018 /nfs/dbraw/zinc/36/30/18/174363018.db2.gz MZPQOJSRUKIANB-UHFFFAOYSA-N 0 3 293.754 2.135 10 0 CEAEHN CCOC1CCN(C[C@H]2CNc3ccccc3O2)CC1 ZINC000040690153 174376939 /nfs/dbraw/zinc/37/69/39/174376939.db2.gz WCJZIEVSNZWJPX-CQSZACIVSA-N 0 3 276.380 2.360 10 0 CEAEHN C[C@H]1CCN(c2nc3ccccn3c2CNC2CC2)C1 ZINC000040723779 174385912 /nfs/dbraw/zinc/38/59/12/174385912.db2.gz KHPZOSVFNPPIMU-LBPRGKRZSA-N 0 3 270.380 2.433 10 0 CEAEHN CCCOc1ccc([C@H](N)Cn2cnc(C)cc2=O)cc1 ZINC000040728052 174387813 /nfs/dbraw/zinc/38/78/13/174387813.db2.gz RRFKIGIQDWVPAV-OAHLLOKOSA-N 0 3 287.363 2.041 10 0 CEAEHN CC(C)n1cc(N)cc1C(=O)NCCN1CCCCCC1 ZINC000040766928 174398204 /nfs/dbraw/zinc/39/82/04/174398204.db2.gz WVZNTAREQTZTNA-UHFFFAOYSA-N 0 3 292.427 2.257 10 0 CEAEHN Cc1cc(C)cc(OCCN2C[C@H](O)C[C@H](C)C2)c1 ZINC000401698499 414753307 /nfs/dbraw/zinc/75/33/07/414753307.db2.gz LTKPSBPIDFTKAG-LSDHHAIUSA-N 0 3 263.381 2.385 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000401861301 414755322 /nfs/dbraw/zinc/75/53/22/414755322.db2.gz ZCFZPOMDAJCHLW-MGPQQGTHSA-N 0 3 253.386 2.181 10 0 CEAEHN CN(C(=O)Cc1ccc(Cl)cc1)[C@@H](CN)C(F)(F)F ZINC000662974997 414815590 /nfs/dbraw/zinc/81/55/90/414815590.db2.gz CQWHAXDKKAZEQJ-JTQLQIEISA-N 0 3 294.704 2.231 10 0 CEAEHN C[C@@H](C(=O)N(C)[C@@H](CN)C(F)(F)F)c1ccccc1 ZINC000662984029 414818966 /nfs/dbraw/zinc/81/89/66/414818966.db2.gz IMNFEVBDADNDNE-KOLCDFICSA-N 0 3 274.286 2.138 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@H](CN)C(F)(F)F)cc(C)c1F ZINC000662985677 414819316 /nfs/dbraw/zinc/81/93/16/414819316.db2.gz XXYMXYIXEMENGW-SNVBAGLBSA-N 0 3 292.276 2.404 10 0 CEAEHN COCc1nc(CNC[C@@H]2CCN2C(C)(C)C)cs1 ZINC000657522259 414984937 /nfs/dbraw/zinc/98/49/37/414984937.db2.gz AEOMDRJKBAKKMS-LBPRGKRZSA-N 0 3 283.441 2.252 10 0 CEAEHN Cc1c(CNC[C@H]2CCN2Cc2ccccc2)cnn1C ZINC000657806485 415086354 /nfs/dbraw/zinc/08/63/54/415086354.db2.gz CQOAIYBFLRLCAX-QGZVFWFLSA-N 0 3 284.407 2.093 10 0 CEAEHN C[C@]1(C2CC2)CN(C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000661172007 415122564 /nfs/dbraw/zinc/12/25/64/415122564.db2.gz PVVRXRLLNZEBEE-VHDGCEQUSA-N 0 3 253.386 2.038 10 0 CEAEHN CN[C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300709 175001559 /nfs/dbraw/zinc/00/15/59/175001559.db2.gz DWAFASZVPPBHGO-HIFRSBDPSA-N 0 3 297.420 2.169 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301176 175001988 /nfs/dbraw/zinc/00/19/88/175001988.db2.gz VVDCHLJIVUSFNB-JSGCOSHPSA-N 0 3 285.384 2.301 10 0 CEAEHN CCN[C@@H](c1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301073 175002050 /nfs/dbraw/zinc/00/20/50/175002050.db2.gz QHHPFBBJUASOCA-HIFRSBDPSA-N 0 3 297.420 2.171 10 0 CEAEHN CC[C@H](N)[C@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000043335725 175011009 /nfs/dbraw/zinc/01/10/09/175011009.db2.gz HJOMVIMIMILCNJ-SGMGOOAPSA-N 0 3 252.358 2.169 10 0 CEAEHN CC(C)N(CC(F)(F)F)[C@H](CN)c1ccncc1 ZINC000043354840 175022048 /nfs/dbraw/zinc/02/20/48/175022048.db2.gz WKHWZESJFJSSHY-LLVKDONJSA-N 0 3 261.291 2.354 10 0 CEAEHN NC[C@H](OCc1ccc2c(c1)OCO2)c1ccncc1 ZINC000043355671 175022991 /nfs/dbraw/zinc/02/29/91/175022991.db2.gz PLXPWVBADIXKCM-HNNXBMFYSA-N 0 3 272.304 2.027 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N1CCOC(C)(C)C1 ZINC000043364457 175025377 /nfs/dbraw/zinc/02/53/77/175025377.db2.gz KKKJKADDVDCVAP-TZMCWYRMSA-N 0 3 266.385 2.477 10 0 CEAEHN Cc1ccc([C@@H]([C@@H](C)N)N2CCOCC2(C)C)o1 ZINC000043364744 175025479 /nfs/dbraw/zinc/02/54/79/175025479.db2.gz UTISYESDOSDPOV-DGCLKSJQSA-N 0 3 252.358 2.087 10 0 CEAEHN CCN[C@@H](CN(C)CC)c1ccc2c(c1)OCCO2 ZINC000043820461 175114128 /nfs/dbraw/zinc/11/41/28/175114128.db2.gz LNKGLVULAYUPLG-ZDUSSCGKSA-N 0 3 264.369 2.060 10 0 CEAEHN CCN[C@@H](CN1CCOC[C@@H]1C)c1cc(C)ccc1OC ZINC000043891548 175118148 /nfs/dbraw/zinc/11/81/48/175118148.db2.gz JMFMDNJMFFAYNL-HOCLYGCPSA-N 0 3 292.423 2.375 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@H]1N(C)CC(F)(F)F ZINC000043900812 175122172 /nfs/dbraw/zinc/12/21/72/175122172.db2.gz YDLLVGDDBTVYBR-ZYHUDNBSSA-N 0 3 274.286 2.202 10 0 CEAEHN CCOC1CCN(C[C@H](NC)c2cccc(OC)c2)CC1 ZINC000043907026 175123285 /nfs/dbraw/zinc/12/32/85/175123285.db2.gz XMZYWXZSMCDMBJ-KRWDZBQOSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@H](CN(CCOC)C1CC1)c1ccc(OC)cc1 ZINC000043969683 175130386 /nfs/dbraw/zinc/13/03/86/175130386.db2.gz VTGHMOZKGAIUIQ-MRXNPFEDSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCNC(=O)[C@@H](C)N[C@@H]1CCCc2cc(O)ccc21 ZINC000044747152 175242747 /nfs/dbraw/zinc/24/27/47/175242747.db2.gz FTXGSZNCVCEVTF-IAQYHMDHSA-N 0 3 276.380 2.274 10 0 CEAEHN C[C@H](CNc1cc(Cl)ncn1)N1CCCCC1 ZINC000045014497 175291120 /nfs/dbraw/zinc/29/11/20/175291120.db2.gz MIIOLWQYFVCVRU-SNVBAGLBSA-N 0 3 254.765 2.416 10 0 CEAEHN CCCCCNC(=O)[C@H](C)NCCOCCC(C)C ZINC000045106852 175308139 /nfs/dbraw/zinc/30/81/39/175308139.db2.gz JCNCIHYIITYWIL-AWEZNQCLSA-N 0 3 272.433 2.334 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NC[C@@H](O)c1ccccc1 ZINC000045169704 175320298 /nfs/dbraw/zinc/32/02/98/175320298.db2.gz YGGJATLJNZDVIR-XHDPSFHLSA-N 0 3 273.380 2.421 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H](C)CN2CCCC2=O)c1C ZINC000045171752 175320835 /nfs/dbraw/zinc/32/08/35/175320835.db2.gz VBOXZPCDVZHBBL-RYUDHWBXSA-N 0 3 292.427 2.181 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H]1CCCCO1 ZINC000045172615 175321907 /nfs/dbraw/zinc/32/19/07/175321907.db2.gz KINCGSZUYRTUQD-MFKMUULPSA-N 0 3 251.374 2.257 10 0 CEAEHN CCCCN(CC)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045223219 175331218 /nfs/dbraw/zinc/33/12/18/175331218.db2.gz VAJFIXYMWVYGJP-KRWDZBQOSA-N 0 3 292.423 2.396 10 0 CEAEHN CCN[C@@](C)(CCN(CC)c1ccccc1C)C(N)=O ZINC000045223096 175331536 /nfs/dbraw/zinc/33/15/36/175331536.db2.gz SOPDHOZFEYUJIN-INIZCTEOSA-N 0 3 277.412 2.065 10 0 CEAEHN CCOC(=O)[C@](N)(CN1CCC(C)CC1)c1ccccc1 ZINC000045225319 175332513 /nfs/dbraw/zinc/33/25/13/175332513.db2.gz OCUXNJVEVOTIOT-KRWDZBQOSA-N 0 3 290.407 2.136 10 0 CEAEHN COC(=O)[C@@](N)(CN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000045231647 175335473 /nfs/dbraw/zinc/33/54/73/175335473.db2.gz SBNLHTDPTIEZRX-JKIFEVAISA-N 0 3 290.407 2.277 10 0 CEAEHN C[C@@]([NH3+])(CCN1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000045263372 175337529 /nfs/dbraw/zinc/33/75/29/175337529.db2.gz SKCXXZOFACKAMD-QGZVFWFLSA-N 0 3 290.407 2.133 10 0 CEAEHN CCN[C@@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272077 175343282 /nfs/dbraw/zinc/34/32/82/175343282.db2.gz XIHOFDXMFOHSFN-LZWOXQAQSA-N 0 3 282.428 2.040 10 0 CEAEHN CCC[N@H+](CC[C@](C)(NC(C)C)C(=O)[O-])CC1CC1 ZINC000045276876 175346648 /nfs/dbraw/zinc/34/66/48/175346648.db2.gz CEVWSZHPQVCSER-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC[N@@H+](CC[C@](C)(NC(C)C)C(=O)[O-])CC1CC1 ZINC000045276876 175346649 /nfs/dbraw/zinc/34/66/49/175346649.db2.gz CEVWSZHPQVCSER-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN COCCNC1(c2nccs2)CCN(C(C)C)CC1 ZINC000053289665 175547375 /nfs/dbraw/zinc/54/73/75/175547375.db2.gz UGDLQBCGWACKCC-UHFFFAOYSA-N 0 3 283.441 2.079 10 0 CEAEHN COc1ccc([C@@H](N)c2c(C)ccnc2N)cc1OC ZINC000070402445 175911756 /nfs/dbraw/zinc/91/17/56/175911756.db2.gz NLZHFSSXZYCCMU-CQSZACIVSA-N 0 3 273.336 2.038 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cc(F)ccc1F ZINC000070987361 176018369 /nfs/dbraw/zinc/01/83/69/176018369.db2.gz ROZAQEGUJDQPLC-GXTWGEPZSA-N 0 3 266.291 2.118 10 0 CEAEHN Cc1ccc([C@H]2[C@@H](N)CCC(=O)N2C(C)C)s1 ZINC000070987028 176018603 /nfs/dbraw/zinc/01/86/03/176018603.db2.gz FCGGCBHSQMPWQD-GXFFZTMASA-N 0 3 252.383 2.456 10 0 CEAEHN CCCCN(CCO)C[C@H]1OCCc2ccccc21 ZINC000071030834 176021891 /nfs/dbraw/zinc/02/18/91/176021891.db2.gz SWXMLRWGOVNBPG-MRXNPFEDSA-N 0 3 263.381 2.395 10 0 CEAEHN CCN[C@@H]1CCCN(c2nc(CC)c(C)s2)C1=O ZINC000071032268 176023615 /nfs/dbraw/zinc/02/36/15/176023615.db2.gz BDKKUOVVEWDMSK-LLVKDONJSA-N 0 3 267.398 2.119 10 0 CEAEHN Cc1cc([C@@H](C)N2CC[C@H](NC3CC3)C2=O)c(C)o1 ZINC000071035187 176024691 /nfs/dbraw/zinc/02/46/91/176024691.db2.gz JYYOFJADCNFFCR-YGRLFVJLSA-N 0 3 262.353 2.310 10 0 CEAEHN Cc1nc(C)c([C@@H](C)N2CC[C@H](NC3CC3)C2=O)s1 ZINC000071036204 176025587 /nfs/dbraw/zinc/02/55/87/176025587.db2.gz AMPXISVETHWMSC-SKDRFNHKSA-N 0 3 279.409 2.174 10 0 CEAEHN CC1(N2CCC[C@@H](NC3CC3)C2=O)CCCCC1 ZINC000071036301 176025686 /nfs/dbraw/zinc/02/56/86/176025686.db2.gz CACOTQDMEKEOLQ-CYBMUJFWSA-N 0 3 250.386 2.452 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1[C@H]1CCc2ccccc2C1 ZINC000071041972 176027898 /nfs/dbraw/zinc/02/78/98/176027898.db2.gz DQADALZXGMWKSR-IRXDYDNUSA-N 0 3 284.403 2.287 10 0 CEAEHN COc1ccc(N2CC[C@@H](NC(C)C)C2=O)c(C)c1 ZINC000071042610 176028401 /nfs/dbraw/zinc/02/84/01/176028401.db2.gz SGQJEZSIQJNUCM-CYBMUJFWSA-N 0 3 262.353 2.107 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2cc(F)c(F)c(F)c2)C1=O ZINC000071042869 176029131 /nfs/dbraw/zinc/02/91/31/176029131.db2.gz VASVCHCCZSHDEA-LLVKDONJSA-N 0 3 272.270 2.207 10 0 CEAEHN C[C@@H](c1ccsc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071042811 176029400 /nfs/dbraw/zinc/02/94/00/176029400.db2.gz QHGDVKYYUMEFQQ-JOYOIKCWSA-N 0 3 250.367 2.162 10 0 CEAEHN CC[C@@H]1CCC[C@@](NCCN(CC)CC)(C(=O)OC)C1 ZINC000071125751 176035845 /nfs/dbraw/zinc/03/58/45/176035845.db2.gz OVVOSZDPKQOGQI-ZBFHGGJFSA-N 0 3 284.444 2.430 10 0 CEAEHN CCC(C)(C)[C@H](N)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139363 176037993 /nfs/dbraw/zinc/03/79/93/176037993.db2.gz YEZGMLNXPSGVOU-CQSZACIVSA-N 0 3 274.364 2.277 10 0 CEAEHN CN[C@@H](C)c1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071183088 176058299 /nfs/dbraw/zinc/05/82/99/176058299.db2.gz XDIURKZKOPLBQB-ZANVPECISA-N 0 3 282.771 2.230 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)c1ccc(C=O)cc1F ZINC000071189464 176064294 /nfs/dbraw/zinc/06/42/94/176064294.db2.gz OHSLXSMSTPITRV-GFCCVEGCSA-N 0 3 250.317 2.026 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)c1nc2ccccc2cc1C=O ZINC000071189472 176064519 /nfs/dbraw/zinc/06/45/19/176064519.db2.gz AHOYIVIYPVICLR-CYBMUJFWSA-N 0 3 283.375 2.435 10 0 CEAEHN Cc1ccc(C(=O)[C@@H](C)N(C)C[C@@H]2CCN(C)C2)cc1 ZINC000071189963 176065304 /nfs/dbraw/zinc/06/53/04/176065304.db2.gz DNFUADVQFQZBIU-HUUCEWRRSA-N 0 3 274.408 2.450 10 0 CEAEHN COc1ccc(OC)c([C@H]2CNC[C@H](C3CC3)O2)c1 ZINC000071308633 176116464 /nfs/dbraw/zinc/11/64/64/176116464.db2.gz LJALLVFLBRDTAS-HUUCEWRRSA-N 0 3 263.337 2.143 10 0 CEAEHN Cc1cccnc1CNC[C@@H](O)c1ccc(F)cc1 ZINC000071344122 176130960 /nfs/dbraw/zinc/13/09/60/176130960.db2.gz DCPBVHKNFSBVJM-OAHLLOKOSA-N 0 3 260.312 2.352 10 0 CEAEHN Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)c(CN)c1 ZINC000071403350 176154623 /nfs/dbraw/zinc/15/46/23/176154623.db2.gz DLMXORRUCFCSLC-NSHDSACASA-N 0 3 264.369 2.136 10 0 CEAEHN CNCC(=O)N[C@H](c1cccnc1)c1ccc(C)cc1C ZINC000071404208 176155181 /nfs/dbraw/zinc/15/51/81/176155181.db2.gz NTBZEGBFWCSPND-QGZVFWFLSA-N 0 3 283.375 2.123 10 0 CEAEHN CCCCNC(=O)COc1ccc(C)cc1CNCC ZINC000071403798 176155400 /nfs/dbraw/zinc/15/54/00/176155400.db2.gz HUBNWBHLIXGAQT-UHFFFAOYSA-N 0 3 278.396 2.400 10 0 CEAEHN COCCCOc1ccc(C)cc1CNCCOC ZINC000071407600 176156457 /nfs/dbraw/zinc/15/64/57/176156457.db2.gz RSGLCDOVLNFQMB-UHFFFAOYSA-N 0 3 267.369 2.146 10 0 CEAEHN CC(C)(C)OC(=O)Nc1cccc([C@H](N)CO)c1 ZINC000072199166 176339778 /nfs/dbraw/zinc/33/97/78/176339778.db2.gz AINUYRZOJOEQHC-LLVKDONJSA-N 0 3 252.314 2.026 10 0 CEAEHN CCOc1cccc(CN(C(=O)CN)C(C)(C)C)c1 ZINC000076680182 177057785 /nfs/dbraw/zinc/05/77/85/177057785.db2.gz MMKQOFVRONXEJG-UHFFFAOYSA-N 0 3 264.369 2.171 10 0 CEAEHN CCN1CCC[C@H]1CNCc1sccc1NC(C)=O ZINC000080109717 177610439 /nfs/dbraw/zinc/61/04/39/177610439.db2.gz CKGDNFYGCBKRED-LBPRGKRZSA-N 0 3 281.425 2.280 10 0 CEAEHN Cc1nnc(CN[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)n1C ZINC000080148481 177614818 /nfs/dbraw/zinc/61/48/18/177614818.db2.gz NDGRVRMWIWGNOM-NJZAAPMLSA-N 0 3 262.401 2.428 10 0 CEAEHN O=C(c1c[nH]c2cc(F)ccc12)N1CCN2CCC[C@H]2C1 ZINC000192926402 227386524 /nfs/dbraw/zinc/38/65/24/227386524.db2.gz SCORTUDKAIACOB-LBPRGKRZSA-N 0 3 287.338 2.227 10 0 CEAEHN CN(Cc1ccsc1)C(=O)[C@@]1(C)CCCCN1 ZINC000136146472 419439960 /nfs/dbraw/zinc/43/99/60/419439960.db2.gz FRVXLULEYBGFRX-CYBMUJFWSA-N 0 3 252.383 2.239 10 0 CEAEHN Cc1c([C@@H](C)NC[C@H](C)N2CCOCC2)cnn1C(C)C ZINC000191145181 270272430 /nfs/dbraw/zinc/27/24/30/270272430.db2.gz LKBRKFKJPJQWSE-UONOGXRCSA-N 0 3 294.443 2.144 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2ccc(C)o2)C1 ZINC000194288887 270296000 /nfs/dbraw/zinc/29/60/00/270296000.db2.gz GLQOXBGQAFEHKF-CYBMUJFWSA-N 0 3 279.384 2.214 10 0 CEAEHN CC[C@](C)(O)CN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000229977558 270313252 /nfs/dbraw/zinc/31/32/52/270313252.db2.gz FKZWNANHSWARHS-HNNXBMFYSA-N 0 3 286.416 2.090 10 0 CEAEHN CCOc1ccccc1[C@H](C)N[C@H]1CCC(=O)N[C@@H]1C ZINC000393002425 270341645 /nfs/dbraw/zinc/34/16/45/270341645.db2.gz LWZDCYAHOCWWON-SCRDCRAPSA-N 0 3 276.380 2.403 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037042618 276043332 /nfs/dbraw/zinc/04/33/32/276043332.db2.gz BXRYVVGBDZCTFV-AEJSXWLSSA-N 0 3 266.307 2.351 10 0 CEAEHN CC1(C)CN(c2ncccc2C(F)(F)F)CCN1 ZINC000147510548 276137109 /nfs/dbraw/zinc/13/71/09/276137109.db2.gz WZUUGUDGXFTPHM-UHFFFAOYSA-N 0 3 259.275 2.289 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccccc1NC ZINC000092634067 276181954 /nfs/dbraw/zinc/18/19/54/276181954.db2.gz ZSGSFRQIDQVGIY-ZDUSSCGKSA-N 0 3 275.396 2.285 10 0 CEAEHN CCCCOCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000118196600 276237775 /nfs/dbraw/zinc/23/77/75/276237775.db2.gz GFJWNIKYVKHSMA-HNNXBMFYSA-N 0 3 278.396 2.222 10 0 CEAEHN COc1cc2c(c(Br)c1OC)CCNC2 ZINC000068591441 277390156 /nfs/dbraw/zinc/39/01/56/277390156.db2.gz VTDGZPKGEUXCPY-UHFFFAOYSA-N 0 3 272.142 2.112 10 0 CEAEHN COCC[C@@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000081705885 277544855 /nfs/dbraw/zinc/54/48/55/277544855.db2.gz JTHANMBANIQOOG-YPMHNXCESA-N 0 3 262.353 2.109 10 0 CEAEHN COCC[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000101777014 277551010 /nfs/dbraw/zinc/55/10/10/277551010.db2.gz GHGACAJSRJAPSN-DZGCQCFKSA-N 0 3 293.411 2.014 10 0 CEAEHN CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccsc1 ZINC000296539437 288065461 /nfs/dbraw/zinc/06/54/61/288065461.db2.gz SECLMSPSQSOBKO-ZMLRMANQSA-N 0 3 252.383 2.456 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000263453156 279059892 /nfs/dbraw/zinc/05/98/92/279059892.db2.gz AGPRZSMMURCZFW-ABXWRUBCSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000345359251 279133890 /nfs/dbraw/zinc/13/38/90/279133890.db2.gz XOAKAZCJSKPCSE-MCIONIFRSA-N 0 3 264.417 2.455 10 0 CEAEHN CCN1CCCN(C(=O)N[C@@H]2CCC23CCCC3)CC1 ZINC000334996027 279285718 /nfs/dbraw/zinc/28/57/18/279285718.db2.gz VKDGIEYUZYRYQG-CQSZACIVSA-N 0 3 279.428 2.446 10 0 CEAEHN COc1c(CN2CCCC[C@H](C)C2)c(C)nn1C ZINC000187517429 280136037 /nfs/dbraw/zinc/13/60/37/280136037.db2.gz RCWBZAHBZVAWHI-NSHDSACASA-N 0 3 251.374 2.359 10 0 CEAEHN COC[C@H](C)OC[C@@H](O)CN[C@@H](C)c1cccc(C)c1 ZINC000234750248 280220900 /nfs/dbraw/zinc/22/09/00/280220900.db2.gz OUCIVPUMSFOMLU-DZKIICNBSA-N 0 3 281.396 2.058 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c([O-])c1 ZINC000246460544 280295037 /nfs/dbraw/zinc/29/50/37/280295037.db2.gz PHDDFCBDHYSLRW-OCCSQVGLSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c([O-])c1 ZINC000246460544 280295040 /nfs/dbraw/zinc/29/50/40/280295040.db2.gz PHDDFCBDHYSLRW-OCCSQVGLSA-N 0 3 276.380 2.159 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@H]1C ZINC000247505695 280332260 /nfs/dbraw/zinc/33/22/60/280332260.db2.gz OLKJZQRPDPDRBW-BARDWOONSA-N 0 3 279.428 2.301 10 0 CEAEHN C[C@H](CCc1cccc(F)c1)N1CCCNC(=O)[C@H]1C ZINC000249095637 280383835 /nfs/dbraw/zinc/38/38/35/280383835.db2.gz VLBBHFKYXUIOKI-CHWSQXEVSA-N 0 3 278.371 2.357 10 0 CEAEHN Cc1cccc(OC[C@@H](O)CN2CCS[C@@H](C)C2)c1 ZINC000245812617 281250217 /nfs/dbraw/zinc/25/02/17/281250217.db2.gz HPWMVPAJIXZDRI-KBPBESRZSA-N 0 3 281.421 2.172 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C)n1 ZINC000158818881 289240974 /nfs/dbraw/zinc/24/09/74/289240974.db2.gz QOOXHQJOHLOEKU-XHDPSFHLSA-N 0 3 275.396 2.157 10 0 CEAEHN COC[C@H](N[C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000126039089 293167078 /nfs/dbraw/zinc/16/70/78/293167078.db2.gz MMOYKFCYNXZGNA-CVEARBPZSA-N 0 3 262.397 2.304 10 0 CEAEHN Cc1nc([C@H]2CCCCN2CC2CCOCC2)n[nH]1 ZINC000328618235 293385625 /nfs/dbraw/zinc/38/56/25/293385625.db2.gz UXTFBBPSMADXCJ-CYBMUJFWSA-N 0 3 264.373 2.067 10 0 CEAEHN CO[C@@H](C(=O)N[C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000128952246 293395663 /nfs/dbraw/zinc/39/56/63/293395663.db2.gz XGVQJOWSSRJVAT-HZPDHXFCSA-N 0 3 292.423 2.467 10 0 CEAEHN Cc1c(CN[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cnn1C ZINC000381101475 321832632 /nfs/dbraw/zinc/83/26/32/321832632.db2.gz ZPPBYEPIHPORCZ-WDEREUQCSA-N 0 3 296.415 2.120 10 0 CEAEHN CCCN(CC(F)F)C(=O)[C@H](N)Cc1ccccc1 ZINC000386354230 321870590 /nfs/dbraw/zinc/87/05/90/321870590.db2.gz BZSVPCOGLGIALP-GFCCVEGCSA-N 0 3 270.323 2.060 10 0 CEAEHN C[C@H](NC1CC1)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000394849066 329153311 /nfs/dbraw/zinc/15/33/11/329153311.db2.gz UEHNSNKVKZJSTB-INTQDDNPSA-N 0 3 278.318 2.364 10 0 CEAEHN CC1CCN([C@H]2CNC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536961279 330384446 /nfs/dbraw/zinc/38/44/46/330384446.db2.gz YSCMBBGJKBYAOV-UONOGXRCSA-N 0 3 282.428 2.038 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@@H]2NCc3ccccc3[C@H]2C1 ZINC000238107175 333183090 /nfs/dbraw/zinc/18/30/90/333183090.db2.gz SIFXOCTVGYHNIX-KGLIPLIRSA-N 0 3 274.364 2.493 10 0 CEAEHN CC(C)N[C@@](CO[C@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196137 519737689 /nfs/dbraw/zinc/73/76/89/519737689.db2.gz VZRQQTMHWNGJCG-DUVNUKRYSA-N 0 3 282.428 2.214 10 0 CEAEHN CCCNCc1nc(CN(CC)CCOC)cs1 ZINC000052542583 519965564 /nfs/dbraw/zinc/96/55/64/519965564.db2.gz ZGSFIWYUEWNKIA-UHFFFAOYSA-N 0 3 271.430 2.111 10 0 CEAEHN CCC[NH2+][C@@H](CCN(C)CC1CCCCC1)C(=O)[O-] ZINC000062526679 519996007 /nfs/dbraw/zinc/99/60/07/519996007.db2.gz XOROZQBLFNAYDU-AWEZNQCLSA-N 0 3 270.417 2.341 10 0 CEAEHN CCCN[C@H](CS(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000053327613 520084870 /nfs/dbraw/zinc/08/48/70/520084870.db2.gz LGFNVNHEUDVXPQ-CQSZACIVSA-N 0 3 269.410 2.389 10 0 CEAEHN CCN[C@@](C)(CN1CCCC(C)(C)C1)C(=O)OCC ZINC000069516632 520135679 /nfs/dbraw/zinc/13/56/79/520135679.db2.gz PSEIORANSMDSAH-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCC[N@H+](CC[C@@H](NC1CC1)C(=O)[O-])[C@@H](C)CC ZINC000062527635 520538494 /nfs/dbraw/zinc/53/84/94/520538494.db2.gz PVLCYPLMIWLMPW-GXTWGEPZSA-N 0 3 270.417 2.482 10 0 CEAEHN CCCC[N@@H+](CC[C@@H](NC1CC1)C(=O)[O-])[C@@H](C)CC ZINC000062527635 520538498 /nfs/dbraw/zinc/53/84/98/520538498.db2.gz PVLCYPLMIWLMPW-GXTWGEPZSA-N 0 3 270.417 2.482 10 0 CEAEHN CCCN(CCN(C)C)C(=O)c1cnc(NC)c(Cl)c1 ZINC000050786156 521656691 /nfs/dbraw/zinc/65/66/91/521656691.db2.gz HZPFAZXVMUJEDK-UHFFFAOYSA-N 0 3 298.818 2.191 10 0 CEAEHN COCC[C@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000052790847 521944341 /nfs/dbraw/zinc/94/43/41/521944341.db2.gz ZPMFJUVPMSXAEW-JTQLQIEISA-N 0 3 277.151 2.296 10 0 CEAEHN CCc1nc(N(CCOC)[C@H](C)CC)sc1CN ZINC000055001136 522383913 /nfs/dbraw/zinc/38/39/13/522383913.db2.gz AOAMLSVMGINQDX-SNVBAGLBSA-N 0 3 271.430 2.416 10 0 CEAEHN CCc1nc(N2CCO[C@H]3CCC[C@@H]32)sc1CNC ZINC000054999092 522388062 /nfs/dbraw/zinc/38/80/62/522388062.db2.gz MXAUWZZISFPEQP-RYUDHWBXSA-N 0 3 281.425 2.183 10 0 CEAEHN C[C@H](NCc1cc[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400463036 533911635 /nfs/dbraw/zinc/91/16/35/533911635.db2.gz SBXOAEKWKVYHML-NWDGAFQWSA-N 0 3 294.399 2.145 10 0 CEAEHN CC(C)N1C(=O)C[C@H](N)[C@H]1c1cccc(Cl)c1 ZINC000062209415 519666465 /nfs/dbraw/zinc/66/64/65/519666465.db2.gz VKXFWAWIAPSXHR-WCQYABFASA-N 0 3 252.745 2.349 10 0 CEAEHN CC(C)NCc1cnc(N2CCN(C(C)C)CC2)s1 ZINC000054903671 519728585 /nfs/dbraw/zinc/72/85/85/519728585.db2.gz VSZOXGHSMKCQHY-UHFFFAOYSA-N 0 3 282.457 2.172 10 0 CEAEHN CC(C)[NH2+][C@](C)(C[C@@H](C)N(CC1CC1)C1CC1)C(=O)[O-] ZINC000068648343 519739690 /nfs/dbraw/zinc/73/96/90/519739690.db2.gz JOEULPCRHBEOIH-MLGOLLRUSA-N 0 3 282.428 2.481 10 0 CEAEHN CC(C)N[C@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648343 519739691 /nfs/dbraw/zinc/73/96/91/519739691.db2.gz JOEULPCRHBEOIH-MLGOLLRUSA-N 0 3 282.428 2.481 10 0 CEAEHN CC(C)N[C@](C)(C[C@@H](C)[N@@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648343 519739693 /nfs/dbraw/zinc/73/96/93/519739693.db2.gz JOEULPCRHBEOIH-MLGOLLRUSA-N 0 3 282.428 2.481 10 0 CEAEHN CC(C)CN[C@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503104 519749625 /nfs/dbraw/zinc/74/96/25/519749625.db2.gz ICTQYBLBOXXTNE-AWEZNQCLSA-N 0 3 257.337 2.007 10 0 CEAEHN CC(C)[C@@H](CN(C)C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000049199211 519794014 /nfs/dbraw/zinc/79/40/14/519794014.db2.gz IOOJREFOWQUMFN-LSDHHAIUSA-N 0 3 289.423 2.270 10 0 CEAEHN CC(C)[C@H](CN(C)C)NCc1nnc(-c2ccccc2)o1 ZINC000050601882 519814737 /nfs/dbraw/zinc/81/47/37/519814737.db2.gz ONSXEKXCMGTINZ-AWEZNQCLSA-N 0 3 288.395 2.412 10 0 CEAEHN CC(C)[C@H](CN(C)C)N1C(=S)N=NC1C1CC1 ZINC000049219768 519815153 /nfs/dbraw/zinc/81/51/53/519815153.db2.gz FQVMYTYUNBOGKH-JTQLQIEISA-N 0 3 254.403 2.203 10 0 CEAEHN CCCN1CCc2nc(C3(N)CCC3)sc2C1 ZINC000061713517 519863695 /nfs/dbraw/zinc/86/36/95/519863695.db2.gz AYLOBYQZIAHDPT-UHFFFAOYSA-N 0 3 251.399 2.249 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000061291202 519906452 /nfs/dbraw/zinc/90/64/52/519906452.db2.gz JFYUFFLWGAYLBW-UHFFFAOYSA-N 0 3 272.352 2.199 10 0 CEAEHN CC(C)n1c(Sc2cccc(F)c2[C@H](C)N)n[nH]c1=O ZINC000061595934 519925199 /nfs/dbraw/zinc/92/51/99/519925199.db2.gz OMBNZKWWXXFCHK-QMMMGPOBSA-N 0 3 296.371 2.462 10 0 CEAEHN CCNCc1c(N2CCCO[C@H](C)C2)nc2sccn12 ZINC000061920049 519984693 /nfs/dbraw/zinc/98/46/93/519984693.db2.gz MJFDMNFRJCLJCC-LLVKDONJSA-N 0 3 294.424 2.121 10 0 CEAEHN CCNCc1cc(CN2C[C@@H](C)OC[C@@H]2C)oc1C ZINC000052476385 519989894 /nfs/dbraw/zinc/98/98/94/519989894.db2.gz YEJXHBATCLNCMP-NWDGAFQWSA-N 0 3 266.385 2.307 10 0 CEAEHN CCNCc1cc(OC)ccc1OC1CCOCC1 ZINC000069288506 519993874 /nfs/dbraw/zinc/99/38/74/519993874.db2.gz MPXYJNMULASZDD-UHFFFAOYSA-N 0 3 265.353 2.363 10 0 CEAEHN CCCN[C@@H](CCN1CCC(C)CC1)C(=O)OCC ZINC000062439769 519999093 /nfs/dbraw/zinc/99/90/93/519999093.db2.gz MLSXHGQTXJATAK-AWEZNQCLSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@@H](CS(C)(=O)=O)c1cc(C)cc(C)c1 ZINC000052789267 520011336 /nfs/dbraw/zinc/01/13/36/520011336.db2.gz OHPLBTZZUYUOFT-AWEZNQCLSA-N 0 3 269.410 2.389 10 0 CEAEHN CCCN[C@@H](c1ccc2c(c1)CCCO2)[C@@H]1COCCO1 ZINC000055301022 520018343 /nfs/dbraw/zinc/01/83/43/520018343.db2.gz COJFPXGILKQQAP-IRXDYDNUSA-N 0 3 291.391 2.468 10 0 CEAEHN CC(C)n1ccnc(Oc2ccccc2CN)c1=O ZINC000061770539 520023384 /nfs/dbraw/zinc/02/33/84/520023384.db2.gz FKEACZOZTKBUKP-UHFFFAOYSA-N 0 3 259.309 2.075 10 0 CEAEHN CCNCc1occc1Cn1cc(Br)cn1 ZINC000052577461 520030265 /nfs/dbraw/zinc/03/02/65/520030265.db2.gz WRGRSOPERSYOTN-UHFFFAOYSA-N 0 3 284.157 2.396 10 0 CEAEHN CCCN[C@@](CN(CC)c1ccccc1)(C(N)=O)C1CC1 ZINC000069096313 520052361 /nfs/dbraw/zinc/05/23/61/520052361.db2.gz GJACIKCMDSPGIL-QGZVFWFLSA-N 0 3 289.423 2.147 10 0 CEAEHN CCCN[C@@](COc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069197412 520057403 /nfs/dbraw/zinc/05/74/03/520057403.db2.gz QIDJCFRPXBPLTJ-MRXNPFEDSA-N 0 3 276.380 2.008 10 0 CEAEHN CCCN[C@H](C)c1cnc(-c2cnccn2)nc1C ZINC000054963089 520067170 /nfs/dbraw/zinc/06/71/70/520067170.db2.gz HTURLQCYZMOREL-SNVBAGLBSA-N 0 3 257.341 2.303 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2CCOC[C@@H]2C)s1 ZINC000054903558 520079330 /nfs/dbraw/zinc/07/93/30/520079330.db2.gz KEKTZIZPCNZDNU-UWVGGRQHSA-N 0 3 255.387 2.039 10 0 CEAEHN CCCN[C@H]1COc2cc(OCCCC(=O)OC)ccc21 ZINC000062805072 520098520 /nfs/dbraw/zinc/09/85/20/520098520.db2.gz CMHGOXODAHXSRJ-AWEZNQCLSA-N 0 3 293.363 2.452 10 0 CEAEHN CCN[C@@H](Cc1ccc(OC)cc1)c1cncnc1 ZINC000052887305 520103319 /nfs/dbraw/zinc/10/33/19/520103319.db2.gz VLQUUDHDIXMVRB-HNNXBMFYSA-N 0 3 257.337 2.379 10 0 CEAEHN CCCNc1cc(C(=O)NC[C@@H](C)N(C)C)cc(Cl)n1 ZINC000050779994 520132479 /nfs/dbraw/zinc/13/24/79/520132479.db2.gz HEJBGCLWISDSQD-SNVBAGLBSA-N 0 3 298.818 2.237 10 0 CEAEHN CCCNc1cc(CN(C)[C@H](C)COC)ccn1 ZINC000052724776 520136046 /nfs/dbraw/zinc/13/60/46/520136046.db2.gz NGEZAOLSJJHURC-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN CCN[C@H](CC[N@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000062461691 520187939 /nfs/dbraw/zinc/18/79/39/520187939.db2.gz UUFCRPRXRCFKIF-CYBMUJFWSA-N 0 3 258.406 2.197 10 0 CEAEHN CCN[C@H](CC[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000062461691 520187943 /nfs/dbraw/zinc/18/79/43/520187943.db2.gz UUFCRPRXRCFKIF-CYBMUJFWSA-N 0 3 258.406 2.197 10 0 CEAEHN 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ZINC000063106760 523937778 /nfs/dbraw/zinc/93/77/78/523937778.db2.gz YVCABEAWFAKACD-UHFFFAOYSA-N 0 3 273.380 2.215 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1cccnc1NC ZINC000052729239 523939524 /nfs/dbraw/zinc/93/95/24/523939524.db2.gz CFPWBZWFALKWCI-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN COCCNCc1ccc(-n2ccc(C)n2)c(F)c1 ZINC000062738919 523951400 /nfs/dbraw/zinc/95/14/00/523951400.db2.gz QXNURDSQVGPLKY-UHFFFAOYSA-N 0 3 263.316 2.056 10 0 CEAEHN COc1ccc(CCN2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC000054603051 523953297 /nfs/dbraw/zinc/95/32/97/523953297.db2.gz WUURWUYYBJJJBI-OKILXGFUSA-N 0 3 259.349 2.434 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccc(OC)cc1C ZINC000061568244 524003469 /nfs/dbraw/zinc/00/34/69/524003469.db2.gz UTGSRTHAVCCLLC-NSHDSACASA-N 0 3 250.342 2.330 10 0 CEAEHN COC(=O)[C@](CN1CCCC(C)(C)C1)(NC1CC1)C1CC1 ZINC000069516939 524005081 /nfs/dbraw/zinc/00/50/81/524005081.db2.gz FBLQSUVORNOBRK-QGZVFWFLSA-N 0 3 294.439 2.182 10 0 CEAEHN COCCOCc1csc(CNC(C)(C)C)n1 ZINC000052628116 524028163 /nfs/dbraw/zinc/02/81/63/524028163.db2.gz WSYCSCODSNAUAK-UHFFFAOYSA-N 0 3 258.387 2.194 10 0 CEAEHN CNC(=O)COc1ccc(Cl)cc1CNC(C)(C)C ZINC000062730773 524074860 /nfs/dbraw/zinc/07/48/60/524074860.db2.gz FPJUERAMVTZHHQ-UHFFFAOYSA-N 0 3 284.787 2.353 10 0 CEAEHN COc1ccc(C[C@H](CN)C(=O)N2CCCCC2)cc1C ZINC000050596621 524154313 /nfs/dbraw/zinc/15/43/13/524154313.db2.gz IIDWCHWJEMAKTP-OAHLLOKOSA-N 0 3 290.407 2.134 10 0 CEAEHN COc1ccc(Cc2nc(C)c(CN)c(C)n2)cc1 ZINC000054836904 524163400 /nfs/dbraw/zinc/16/34/00/524163400.db2.gz DAGZHVHCCZUBKZ-UHFFFAOYSA-N 0 3 257.337 2.152 10 0 CEAEHN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CN[C@@H](C)CN1 ZINC000062813701 524240101 /nfs/dbraw/zinc/24/01/01/524240101.db2.gz ZBRSSRQCRZDFCG-GXTWGEPZSA-N 0 3 275.396 2.007 10 0 CEAEHN Cc1cc(C)c(C)c(OCC[C@H](NC(C)C)C(N)=O)c1 ZINC000062551346 524250191 /nfs/dbraw/zinc/25/01/91/524250191.db2.gz BHNJRNXAJTURRK-AWEZNQCLSA-N 0 3 278.396 2.233 10 0 CEAEHN Cc1ccc(CC(=O)N2[C@@H](C)CNC[C@@H]2C)cc1C ZINC000069132643 524258480 /nfs/dbraw/zinc/25/84/80/524258480.db2.gz WUFXLABGPHTXRY-KBPBESRZSA-N 0 3 260.381 2.055 10 0 CEAEHN C[C@H]1CCN(C(=O)[C@@H](CN)c2ccccc2)[C@@H](C)C1 ZINC000061613354 524262304 /nfs/dbraw/zinc/26/23/04/524262304.db2.gz NMRYCYMGGLQYIF-YDHLFZDLSA-N 0 3 260.381 2.376 10 0 CEAEHN C[C@H](CN1CCCCC1)Nc1ccnc(Cl)n1 ZINC000051849890 524335934 /nfs/dbraw/zinc/33/59/34/524335934.db2.gz CXTGJKMUCQRDRJ-SNVBAGLBSA-N 0 3 254.765 2.416 10 0 CEAEHN C[C@@H](CC1CC1)NCc1ccc(C(N)=O)cc1F ZINC000070102322 524429100 /nfs/dbraw/zinc/42/91/00/524429100.db2.gz KWHVICNBSLZZBU-VIFPVBQESA-N 0 3 250.317 2.203 10 0 CEAEHN Cc1cccc(N2CCN(Cc3cc(CN)co3)CC2)c1 ZINC000052418947 524558795 /nfs/dbraw/zinc/55/87/95/524558795.db2.gz CJXSNYRWRVNWDN-UHFFFAOYSA-N 0 3 285.391 2.369 10 0 CEAEHN COc1ccc(NC(=O)[C@@H](N)CCSC)cc1C ZINC000049532004 524588533 /nfs/dbraw/zinc/58/85/33/524588533.db2.gz MALYKJHVGWCSIC-NSHDSACASA-N 0 3 268.382 2.023 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC1N=NC(=S)S1 ZINC000049502250 524609213 /nfs/dbraw/zinc/60/92/13/524609213.db2.gz UWFPXWOKFRFSAZ-QMMMGPOBSA-N 0 3 258.416 2.113 10 0 CEAEHN C[C@H]1CN(Cc2occc2CNC(C)(C)C)CCO1 ZINC000052382347 524653818 /nfs/dbraw/zinc/65/38/18/524653818.db2.gz PMSPICYIABFCHJ-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN Cc1cc(CN[C@@H](CC(C)C)C(=O)N(C)C)c(C)n1C ZINC000052789892 524767186 /nfs/dbraw/zinc/76/71/86/524767186.db2.gz QZHIPVMINZPAJV-HNNXBMFYSA-N 0 3 279.428 2.234 10 0 CEAEHN C[C@@H]1CN(C)c2ccc(Br)cc2CN1 ZINC000062625822 524914951 /nfs/dbraw/zinc/91/49/51/524914951.db2.gz UWFSHICMHKHZLM-MRVPVSSYSA-N 0 3 255.159 2.377 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000069133307 525095244 /nfs/dbraw/zinc/09/52/44/525095244.db2.gz CYXBAOMAJDNNPC-INOYMQOOSA-N 0 3 276.424 2.412 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc(Cl)cn1C1CC1 ZINC000069133447 525097310 /nfs/dbraw/zinc/09/73/10/525097310.db2.gz AHFDNDUGMFJDPB-NXEZZACHSA-N 0 3 281.787 2.299 10 0 CEAEHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(C)(C)c1ccccc1 ZINC000062656417 525105700 /nfs/dbraw/zinc/10/57/00/525105700.db2.gz MQZIKUHXLIUSFJ-QWHCGFSZSA-N 0 3 260.381 2.173 10 0 CEAEHN C[C@@H]1CO[C@@H](C)CN1c1ncc(CNC2CC2)s1 ZINC000054903464 525153071 /nfs/dbraw/zinc/15/30/71/525153071.db2.gz XPEBZMRCAUTKRM-ZJUUUORDSA-N 0 3 267.398 2.009 10 0 CEAEHN Cc1ccc(NC(=O)[C@H](CN)c2ccccc2)nc1 ZINC000061611008 525217814 /nfs/dbraw/zinc/21/78/14/525217814.db2.gz NQQGEAITUXMEJE-CYBMUJFWSA-N 0 3 255.321 2.071 10 0 CEAEHN Cc1ccc([N-]S(=O)(=O)C[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000049630923 525294373 /nfs/dbraw/zinc/29/43/73/525294373.db2.gz DKXXZYUTDMPMCY-LLVKDONJSA-N 0 3 286.372 2.018 10 0 CEAEHN C[C@@H](NCCc1ccsc1)C(=O)NC(C)(C)C ZINC000049181612 525466079 /nfs/dbraw/zinc/46/60/79/525466079.db2.gz SDWGEOFKSKVHCD-SNVBAGLBSA-N 0 3 254.399 2.183 10 0 CEAEHN C[C@@H](NC[C@H](O)CN1CCCCC1)c1cccc(F)c1F ZINC000183232448 525495472 /nfs/dbraw/zinc/49/54/72/525495472.db2.gz RSJABOUEVWIIOV-OLZOCXBDSA-N 0 3 298.377 2.462 10 0 CEAEHN CSC[C@@H](C)CNCc1nc2ccccc2c(=O)[nH]1 ZINC000069443626 525623099 /nfs/dbraw/zinc/62/30/99/525623099.db2.gz NAXLJKSSKQCDTL-JTQLQIEISA-N 0 3 277.393 2.012 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@](C)(N)C2CC2)s1 ZINC000049185490 525714526 /nfs/dbraw/zinc/71/45/26/525714526.db2.gz CGNJQNKMHQMHQX-NOZJJQNGSA-N 0 3 252.383 2.361 10 0 CEAEHN C[C@@](N)(C(=O)NCc1ccccc1C(F)(F)F)C1CC1 ZINC000061626984 525747161 /nfs/dbraw/zinc/74/71/61/525747161.db2.gz KCVPACRDUYMEAF-ZDUSSCGKSA-N 0 3 286.297 2.449 10 0 CEAEHN Cc1ccc(-n2nnnc2CNCC(C)C)cc1C ZINC000054744423 525936309 /nfs/dbraw/zinc/93/63/09/525936309.db2.gz RSPJEDCWLXBXRA-UHFFFAOYSA-N 0 3 259.357 2.025 10 0 CEAEHN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069133454 525941499 /nfs/dbraw/zinc/94/14/99/525941499.db2.gz NXASKFXYDOTUQP-GRYCIOLGSA-N 0 3 296.798 2.316 10 0 CEAEHN COc1cccc(CNC(C)(C)C)c1O[C@@H]1CCOC1=O ZINC000062732232 526012195 /nfs/dbraw/zinc/01/21/95/526012195.db2.gz ZTUGRFRWNWXZPH-CYBMUJFWSA-N 0 3 293.363 2.278 10 0 CEAEHN COc1cccc(Cc2ncc([C@H](C)N)c(C)n2)c1 ZINC000054962535 526084925 /nfs/dbraw/zinc/08/49/25/526084925.db2.gz MTCGJOHNSFRZLN-JTQLQIEISA-N 0 3 257.337 2.404 10 0 CEAEHN Cc1ccc(C(=O)Nc2cccc(CN)c2)c(C)n1 ZINC000055329928 526225532 /nfs/dbraw/zinc/22/55/32/526225532.db2.gz BAHOCHPUOFEPPW-UHFFFAOYSA-N 0 3 255.321 2.409 10 0 CEAEHN O[C@H]1c2ccccc2OC[C@@H]1N1Cc2ccccc2C1 ZINC000050912088 526318291 /nfs/dbraw/zinc/31/82/91/526318291.db2.gz IFCFEQWAZLKUFI-RDJZCZTQSA-N 0 3 267.328 2.497 10 0 CEAEHN Cc1csc(Cc2ncc(CNC(C)C)cn2)n1 ZINC000055269960 526369794 /nfs/dbraw/zinc/36/97/94/526369794.db2.gz RUMGIFYNICMGQJ-UHFFFAOYSA-N 0 3 262.382 2.330 10 0 CEAEHN c1ccc(CCN2CCNCc3ccccc32)nc1 ZINC000062819015 526465413 /nfs/dbraw/zinc/46/54/13/526465413.db2.gz FCBOVOUGPGFPAA-UHFFFAOYSA-N 0 3 253.349 2.234 10 0 CEAEHN O=C(CCc1ccccc1)[N-]OCC[NH+]1CCCCC1 ZINC000062578169 526609346 /nfs/dbraw/zinc/60/93/46/526609346.db2.gz OHCSIHIIVNUOJD-UHFFFAOYSA-N 0 3 276.380 2.153 10 0 CEAEHN Cc1nc(C)n(Cc2ccc(CNC(C)(C)C)o2)n1 ZINC000052574371 526764553 /nfs/dbraw/zinc/76/45/53/526764553.db2.gz LSQIZQDJNRDYHG-UHFFFAOYSA-N 0 3 262.357 2.424 10 0 CEAEHN Cc1oc(CN2CCO[C@@H](C)C2)cc1CNC(C)C ZINC000052382365 526770716 /nfs/dbraw/zinc/77/07/16/526770716.db2.gz ZOCPDYFMRSNLEG-LBPRGKRZSA-N 0 3 266.385 2.307 10 0 CEAEHN Cc1nc(N(C)Cc2cscn2)sc1CN ZINC000054998551 526952338 /nfs/dbraw/zinc/95/23/38/526952338.db2.gz ROBXMNWYXWJSRX-UHFFFAOYSA-N 0 3 254.384 2.003 10 0 CEAEHN NC[C@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 ZINC000061612153 527222086 /nfs/dbraw/zinc/22/20/86/527222086.db2.gz ZQZYEEQHCLVXFE-GOEBONIOSA-N 0 3 283.375 2.421 10 0 CEAEHN NC[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000061611026 527223914 /nfs/dbraw/zinc/22/39/14/527223914.db2.gz SRHXDAFNRDCQHG-ZDUSSCGKSA-N 0 3 284.315 2.096 10 0 CEAEHN NCc1cc(F)c(-n2nnc(-c3ccccc3)n2)c(F)c1 ZINC000062719448 527248581 /nfs/dbraw/zinc/24/85/81/527248581.db2.gz DPKXPPZKPLJENA-UHFFFAOYSA-N 0 3 287.273 2.066 10 0 CEAEHN NCc1ccccc1OCC(=O)N1Cc2ccccc2C1 ZINC000050910367 527261128 /nfs/dbraw/zinc/26/11/28/527261128.db2.gz SAHYDGYAYSYDPH-UHFFFAOYSA-N 0 3 282.343 2.067 10 0 CEAEHN NCc1cnn(Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000054716762 527263576 /nfs/dbraw/zinc/26/35/76/527263576.db2.gz WFGYJHTYUTZAPB-UHFFFAOYSA-N 0 3 271.242 2.289 10 0 CEAEHN N[C@H](c1ccc(Cl)cc1Cl)[C@H]1COCCO1 ZINC000055301070 527390725 /nfs/dbraw/zinc/39/07/25/527390725.db2.gz QQGXCVSSJOZHCS-GHMZBOCLSA-N 0 3 262.136 2.409 10 0 CEAEHN N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1COCCO1 ZINC000055301065 527391324 /nfs/dbraw/zinc/39/13/24/527391324.db2.gz QQGXCVSSJOZHCS-WDEREUQCSA-N 0 3 262.136 2.409 10 0 CEAEHN N[C@H](c1cnccn1)C1(c2ccccc2)CCOCC1 ZINC000069499929 527392244 /nfs/dbraw/zinc/39/22/44/527392244.db2.gz HJJGZOZTGVKTRI-OAHLLOKOSA-N 0 3 269.348 2.225 10 0 CEAEHN Cc1nn(C)c(N2C[C@@H](C)OC[C@@H]2C)c1CNCC(C)C ZINC000062735848 527677102 /nfs/dbraw/zinc/67/71/02/527677102.db2.gz YBOUWBDNQLFQNZ-QWHCGFSZSA-N 0 3 294.443 2.088 10 0 CEAEHN CCN1CC[C@@H](N[C@H](C)c2ccc(Cl)cn2)C1 ZINC000414334107 527809109 /nfs/dbraw/zinc/80/91/09/527809109.db2.gz FZTWPCOTOZXQSN-ZYHUDNBSSA-N 0 3 253.777 2.480 10 0 CEAEHN CCN1CC[C@H](N[C@@H](C)c2ccc(Cl)cn2)C1 ZINC000414334103 527884534 /nfs/dbraw/zinc/88/45/34/527884534.db2.gz FZTWPCOTOZXQSN-JQWIXIFHSA-N 0 3 253.777 2.480 10 0 CEAEHN CCNc1nc(C(=O)N[C@@H](CC(C)C)CN(C)C)cs1 ZINC000158290102 528440409 /nfs/dbraw/zinc/44/04/09/528440409.db2.gz FSJHGNSZIGOOIL-NSHDSACASA-N 0 3 298.456 2.281 10 0 CEAEHN CC1CCN(C(=O)N2C[C@H](N)Cc3ccccc32)CC1 ZINC000091991322 535271158 /nfs/dbraw/zinc/27/11/58/535271158.db2.gz XATSMVLGDNRUNR-CQSZACIVSA-N 0 3 273.380 2.228 10 0 CEAEHN COc1cc(CN(C)C[C@H](O)COC(C)(C)C)ccc1O ZINC000086168157 536748032 /nfs/dbraw/zinc/74/80/32/536748032.db2.gz AKWHBQDWJYWLFO-ZDUSSCGKSA-N 0 3 297.395 2.009 10 0 CEAEHN C[C@H](N1CCC[C@]12CN1CCC2CC1)C(F)(F)F ZINC000757129546 574826233 /nfs/dbraw/zinc/82/62/33/574826233.db2.gz LVRYKXMKZVVWEK-CMPLNLGQSA-N 0 3 262.319 2.497 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 ZINC000178139468 625949120 /nfs/dbraw/zinc/94/91/20/625949120.db2.gz PSZXEUMMEIAFCD-LLVKDONJSA-N 0 3 284.743 2.193 10 0 CEAEHN C[C@H](NC(=O)C1(N)CC1)c1cccc(Br)c1 ZINC000083834526 632224926 /nfs/dbraw/zinc/22/49/26/632224926.db2.gz GKPYDWHQPGRWBJ-QMMMGPOBSA-N 0 3 283.169 2.118 10 0 CEAEHN Cc1ccnc(C[C@H](C)N(C)Cc2cnc3nccn3c2)c1 ZINC000055413863 639365454 /nfs/dbraw/zinc/36/54/54/639365454.db2.gz WEECVNPVKQFYNL-AWEZNQCLSA-N 0 3 295.390 2.496 10 0 CEAEHN CO[C@@H](c1noc([C@@H]2CNCc3ccccc32)n1)C1CC1 ZINC000227332165 639585244 /nfs/dbraw/zinc/58/52/44/639585244.db2.gz XCEBFTHWOFVYSN-ZIAGYGMSSA-N 0 3 285.347 2.402 10 0 CEAEHN COC[C@@H](C)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117101606 645669400 /nfs/dbraw/zinc/66/94/00/645669400.db2.gz MPMOJPLIFOEAEM-HIFRSBDPSA-N 0 3 277.364 2.087 10 0 CEAEHN Cc1cccc([C@@H](C)NC[C@H]2CCCS2(=O)=O)c1 ZINC000126983469 651041458 /nfs/dbraw/zinc/04/14/58/651041458.db2.gz HDQPIEPIRRDDQH-TZMCWYRMSA-N 0 3 267.394 2.223 10 0 CEAEHN CC(C)CN1CCN(c2nc(Cl)nc3cc[nH]c32)CC1 ZINC000693043248 719328368 /nfs/dbraw/zinc/32/83/68/719328368.db2.gz KOPLSFYAPZGJJO-UHFFFAOYSA-N 0 3 293.802 2.389 10 0 CEAEHN CCOC1CC(N[C@H](CN(C)C)c2ccccc2)C1 ZINC000124450833 187137589 /nfs/dbraw/zinc/13/75/89/187137589.db2.gz ALIFFYDGCZFZFL-UYSNPLJNSA-N 0 3 262.397 2.446 10 0 CEAEHN CC(C)c1nc(N2CCOCC2)sc1CNC1CC1 ZINC000082434931 178012410 /nfs/dbraw/zinc/01/24/10/178012410.db2.gz RODIGHQNPFMVIV-UHFFFAOYSA-N 0 3 281.425 2.355 10 0 CEAEHN COC(=O)C[C@@H](N)c1ccc(C)c(Br)c1 ZINC000095778156 185027941 /nfs/dbraw/zinc/02/79/41/185027941.db2.gz OGLVFDAJTRJFSV-SNVBAGLBSA-N 0 3 272.142 2.320 10 0 CEAEHN NCc1cc(-c2ccc(Br)s2)n[nH]1 ZINC000082567757 178098516 /nfs/dbraw/zinc/09/85/16/178098516.db2.gz XQHQGMGUBIBOBQ-UHFFFAOYSA-N 0 3 258.144 2.359 10 0 CEAEHN COc1ccc([C@H]2CNCO2)cc1Br ZINC000082567752 178098760 /nfs/dbraw/zinc/09/87/60/178098760.db2.gz FWHQPJDMILZENZ-SNVBAGLBSA-N 0 3 258.115 2.076 10 0 CEAEHN CN1CCCN(C(=O)N[C@@H]2CCC23CCCC3)CC1 ZINC000336274697 365542815 /nfs/dbraw/zinc/54/28/15/365542815.db2.gz JRIGGIJSHZYYAV-CYBMUJFWSA-N 0 3 265.401 2.056 10 0 CEAEHN COCCNCc1cnn(-c2ccccc2C)c1C ZINC000082660332 178146817 /nfs/dbraw/zinc/14/68/17/178146817.db2.gz LHXGRXZTTIDOKT-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN COc1cc(Cl)c(C(=O)[C@H]2CCCN2)cc1OC ZINC000082724455 178240723 /nfs/dbraw/zinc/24/07/23/178240723.db2.gz KRNBRSHFTUAESJ-SNVBAGLBSA-N 0 3 269.728 2.292 10 0 CEAEHN Cc1cccc(C)c1CCNC(=O)N1CC[C@H](N(C)C)C1 ZINC000125347230 187180731 /nfs/dbraw/zinc/18/07/31/187180731.db2.gz SSYFHKFIMYPFOT-HNNXBMFYSA-N 0 3 289.423 2.191 10 0 CEAEHN CC[C@@H](N)C(=O)Nc1ccccc1Br ZINC000036871317 361865669 /nfs/dbraw/zinc/86/56/69/361865669.db2.gz KFDKYLNZYDCEJN-MRVPVSSYSA-N 0 3 257.131 2.125 10 0 CEAEHN CC[NH+](CC)CCCNc1[nH][n-]c2cccc(=O)c1-2 ZINC000039424064 361989593 /nfs/dbraw/zinc/98/95/93/361989593.db2.gz RHKCOOMRMNYESQ-UHFFFAOYSA-N 0 3 262.357 2.412 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CCOCC1)c1cccc(Cl)c1 ZINC000127837197 187336192 /nfs/dbraw/zinc/33/61/92/187336192.db2.gz ZMQSQHAWMNJJDZ-SNVBAGLBSA-N 0 3 282.771 2.025 10 0 CEAEHN CCN1CCN(c2ccc(N)c(OC(F)F)c2)CC1 ZINC000725265085 539213050 /nfs/dbraw/zinc/21/30/50/539213050.db2.gz DXYOTBDFMVIKNS-UHFFFAOYSA-N 0 3 271.311 2.012 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(F)nc1 ZINC000126320478 187232891 /nfs/dbraw/zinc/23/28/91/187232891.db2.gz PZRLAEPBZSXSBX-LBPRGKRZSA-N 0 3 280.347 2.169 10 0 CEAEHN CC[C@H](O)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000132819189 529694708 /nfs/dbraw/zinc/69/47/08/529694708.db2.gz XUALYNBJEFGGTL-GWCFXTLKSA-N 0 3 253.390 2.331 10 0 CEAEHN CN(C)CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12 ZINC000027557752 343393118 /nfs/dbraw/zinc/39/31/18/343393118.db2.gz UCFOKDMKJBQZMP-UHFFFAOYSA-N 0 3 283.331 2.435 10 0 CEAEHN C[C@@H](NCCc1cccs1)C(=O)NCc1ccco1 ZINC000034937906 343421339 /nfs/dbraw/zinc/42/13/39/343421339.db2.gz KZJUDNXQOUDOPL-LLVKDONJSA-N 0 3 278.377 2.178 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000176751035 282264051 /nfs/dbraw/zinc/26/40/51/282264051.db2.gz FMGLCWDWOXQHKH-JTQLQIEISA-N 0 3 281.425 2.217 10 0 CEAEHN COc1cccc(CN[C@H]2CCCC[C@H]2CO)c1F ZINC000194118279 539319951 /nfs/dbraw/zinc/31/99/51/539319951.db2.gz UAEOAUWSIYPJSP-STQMWFEESA-N 0 3 267.344 2.475 10 0 CEAEHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([O-])ccc3F)CC[C@H]21 ZINC000295026382 199306940 /nfs/dbraw/zinc/30/69/40/199306940.db2.gz SAKNXDWHEZEYNV-IAQYHMDHSA-N 0 3 292.354 2.088 10 0 CEAEHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([O-])ccc3F)CC[C@H]21 ZINC000295026382 199306942 /nfs/dbraw/zinc/30/69/42/199306942.db2.gz SAKNXDWHEZEYNV-IAQYHMDHSA-N 0 3 292.354 2.088 10 0 CEAEHN COc1ccc(CNC[C@H]2CCC[C@H]2O)c(F)c1 ZINC000228599213 539350014 /nfs/dbraw/zinc/35/00/14/539350014.db2.gz QRWUJMJRZJVKNQ-BXUZGUMPSA-N 0 3 253.317 2.085 10 0 CEAEHN CN1CCO[C@H](CNCc2ccc(C(C)(C)C)s2)C1 ZINC000127070951 187280206 /nfs/dbraw/zinc/28/02/06/187280206.db2.gz HNXIRSMLVLKEBO-GFCCVEGCSA-N 0 3 282.453 2.466 10 0 CEAEHN C[C@H](OCC1CC1)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000119549099 344295525 /nfs/dbraw/zinc/29/55/25/344295525.db2.gz XKLMMGQBSFDBSA-XJKSGUPXSA-N 0 3 290.407 2.221 10 0 CEAEHN Cc1cnn(CCNCc2c(C)nc3sc(C)cn23)c1 ZINC000105908565 344257332 /nfs/dbraw/zinc/25/73/32/344257332.db2.gz VZPUFEWLCFVPBO-UHFFFAOYSA-N 0 3 289.408 2.307 10 0 CEAEHN COC(=O)c1csc(CN2CCC[C@H]2CCCO)c1 ZINC000602461120 347042292 /nfs/dbraw/zinc/04/22/92/347042292.db2.gz BDFVZBIPGMAVPB-LBPRGKRZSA-N 0 3 283.393 2.272 10 0 CEAEHN COC(=O)c1csc(CN2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000602472189 347046685 /nfs/dbraw/zinc/04/66/85/347046685.db2.gz OXUXDXZEYHBUKM-AAEUAGOBSA-N 0 3 294.420 2.203 10 0 CEAEHN CN(C(=O)C1(N)CCOCC1)[C@@H]1CCCc2ccccc21 ZINC000132159018 344361838 /nfs/dbraw/zinc/36/18/38/344361838.db2.gz HKLLULFRWKFCGW-OAHLLOKOSA-N 0 3 288.391 2.030 10 0 CEAEHN CCCN(Cc1ccc(C)cc1)C(=O)C1(N)CCOCC1 ZINC000132159881 344362227 /nfs/dbraw/zinc/36/22/27/344362227.db2.gz VXAFOIFHWDXGOE-UHFFFAOYSA-N 0 3 290.407 2.242 10 0 CEAEHN NC[C@H](c1ccc(Br)s1)N1CCCO1 ZINC000164184023 344472184 /nfs/dbraw/zinc/47/21/84/344472184.db2.gz BZIRYBLKJUOLKX-SSDOTTSWSA-N 0 3 277.187 2.148 10 0 CEAEHN CC(C)(C)Cc1ccc(N2CC[C@H](O)C2)c(CN)c1 ZINC000166076932 344475333 /nfs/dbraw/zinc/47/53/33/344475333.db2.gz SJVUFKJPDRRDLO-AWEZNQCLSA-N 0 3 262.397 2.305 10 0 CEAEHN CC(C)(C)CS(=O)(=O)Cc1ccc(CN)cc1 ZINC000168693198 344481142 /nfs/dbraw/zinc/48/11/42/344481142.db2.gz SPTUQWDSHAXERW-UHFFFAOYSA-N 0 3 255.383 2.106 10 0 CEAEHN CN1CC[C@@H](N)[C@@H]1c1sccc1Br ZINC000228022088 344558165 /nfs/dbraw/zinc/55/81/65/344558165.db2.gz JDGQWIBTRQGDCI-HTQZYQBOSA-N 0 3 261.188 2.215 10 0 CEAEHN N[C@@H](c1ccoc1Br)C1CCOCC1 ZINC000236308731 344595525 /nfs/dbraw/zinc/59/55/25/344595525.db2.gz SARWYJIFEQVZHN-SECBINFHSA-N 0 3 260.131 2.469 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@H]2CCCC[C@H]2C)CC1 ZINC000248454793 344622889 /nfs/dbraw/zinc/62/28/89/344622889.db2.gz HPAXNGFARITOPS-OAGGEKHMSA-N 0 3 268.445 2.201 10 0 CEAEHN C[C@H]1NC(=O)OC12CCN(Cc1ccccc1)CC2 ZINC000307155294 344720416 /nfs/dbraw/zinc/72/04/16/344720416.db2.gz DWKZWIDXZXJFOK-GFCCVEGCSA-N 0 3 260.337 2.150 10 0 CEAEHN C[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12NCCS2 ZINC000307172540 344720501 /nfs/dbraw/zinc/72/05/01/344720501.db2.gz NBBKJAHXCGYEGH-MFKMUULPSA-N 0 3 272.414 2.439 10 0 CEAEHN CN1CCC[C@@H](N)[C@H]1c1occc1Br ZINC000300216533 344698805 /nfs/dbraw/zinc/69/88/05/344698805.db2.gz RKBPYSKBBSCSGV-BDAKNGLRSA-N 0 3 259.147 2.136 10 0 CEAEHN CN[C@H](C[S@@](=O)CCOC)c1c(C)cc(C)cc1C ZINC000084036188 178775476 /nfs/dbraw/zinc/77/54/76/178775476.db2.gz GHQQBVUFEAUCNH-AUUYWEPGSA-N 0 3 283.437 2.267 10 0 CEAEHN CN1C(=O)[C@H](N)[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@@H]21 ZINC000584640102 344972013 /nfs/dbraw/zinc/97/20/13/344972013.db2.gz PKGATXGVSMIGRV-XGFWRYKXSA-N 0 3 250.386 2.151 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000054075719 362510449 /nfs/dbraw/zinc/51/04/49/362510449.db2.gz OCLMAMNSFPFYHD-ZJUUUORDSA-N 0 3 254.761 2.467 10 0 CEAEHN NCc1cc(F)ccc1CS(=O)(=O)c1ccccc1F ZINC000084268646 178836017 /nfs/dbraw/zinc/83/60/17/178836017.db2.gz SRGQXTZXVPFNOM-UHFFFAOYSA-N 0 3 297.326 2.397 10 0 CEAEHN CN(C)C[C@H](NC(=O)C1=COCCC1)c1ccccc1 ZINC000107437896 232196043 /nfs/dbraw/zinc/19/60/43/232196043.db2.gz AGQQTWCKKVEJJO-HNNXBMFYSA-N 0 3 274.364 2.100 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)CCC(C)C)C1 ZINC000057869639 362598073 /nfs/dbraw/zinc/59/80/73/362598073.db2.gz TYICCHSXESMYGK-ZDUSSCGKSA-N 0 3 255.406 2.158 10 0 CEAEHN O=C1NCCCC[C@H]1N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133233 178954584 /nfs/dbraw/zinc/95/45/84/178954584.db2.gz NGSOXZYELMVWKN-GARJFASQSA-N 0 3 278.318 2.366 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2C[C@H](O)C2(C)C)c1C ZINC000128341914 187364540 /nfs/dbraw/zinc/36/45/40/187364540.db2.gz QJILSPOMNMVZIF-BIMULSAOSA-N 0 3 265.401 2.330 10 0 CEAEHN CCN(CC)C(CC)(CC)[C@H](NN)c1nccn1CC ZINC000097586761 185632559 /nfs/dbraw/zinc/63/25/59/185632559.db2.gz NWRAOCRAOGPKAO-CYBMUJFWSA-N 0 3 281.448 2.308 10 0 CEAEHN CC(C)OCCN1CCN[C@](C)(c2ccccc2)C1 ZINC000085435473 179062221 /nfs/dbraw/zinc/06/22/21/179062221.db2.gz BDHWCNJIBWRKCW-INIZCTEOSA-N 0 3 262.397 2.232 10 0 CEAEHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N(C)C ZINC000085133190 539540471 /nfs/dbraw/zinc/54/04/71/539540471.db2.gz HIFRFMUYHSYPTR-KXUCPTDWSA-N 0 3 266.307 2.174 10 0 CEAEHN CC(C)(C)c1nc2c(n1CCN1CCCCC1)CCNC2 ZINC000085572725 179097083 /nfs/dbraw/zinc/09/70/83/179097083.db2.gz VWBSSIMYMSUCLN-UHFFFAOYSA-N 0 3 290.455 2.312 10 0 CEAEHN CC(C)c1nc2c(n1C[C@H]1CCCCN1C)CCNC2 ZINC000085572839 179098486 /nfs/dbraw/zinc/09/84/86/179098486.db2.gz GPJANMRFFQRJFD-CYBMUJFWSA-N 0 3 276.428 2.137 10 0 CEAEHN CCN[C@H](CO)c1ccc(Br)c(C)c1 ZINC000085708041 179123113 /nfs/dbraw/zinc/12/31/13/179123113.db2.gz JLPHTICYTOWYHY-LLVKDONJSA-N 0 3 258.159 2.400 10 0 CEAEHN Cc1cccn2c(CN3CC[C@@H](c4cnn(C)c4)C3)cnc12 ZINC000128476934 187372724 /nfs/dbraw/zinc/37/27/24/187372724.db2.gz WRINCNZTKSOMEQ-CQSZACIVSA-N 0 3 295.390 2.366 10 0 CEAEHN C[C@H](O)CCNCC(=O)Nc1c(Cl)cccc1Cl ZINC000085989231 179213537 /nfs/dbraw/zinc/21/35/37/179213537.db2.gz BIVALYLYYCIOIM-QMMMGPOBSA-N 0 3 291.178 2.292 10 0 CEAEHN CCN[C@@H](c1ccc(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086021022 179218608 /nfs/dbraw/zinc/21/86/08/179218608.db2.gz ISLNSUVFZPUKAN-SWLSCSKDSA-N 0 3 297.420 2.089 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000086021999 179218733 /nfs/dbraw/zinc/21/87/33/179218733.db2.gz DTILVXLOEVITHJ-WFASDCNBSA-N 0 3 297.420 2.089 10 0 CEAEHN C[C@@H]([C@@H]1CCCO1)N1CCN[C@H](c2ccccc2)C1 ZINC000086127805 179235360 /nfs/dbraw/zinc/23/53/60/179235360.db2.gz JCFYLTIBBDXRPN-BPUTZDHNSA-N 0 3 260.381 2.200 10 0 CEAEHN CC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2CN)[C@@H]1C ZINC000086091442 179228842 /nfs/dbraw/zinc/22/88/42/179228842.db2.gz YYXOKMFHMQNMGB-YRGRVCCFSA-N 0 3 296.436 2.248 10 0 CEAEHN CC[C@@H]1CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1C ZINC000086094704 179229481 /nfs/dbraw/zinc/22/94/81/179229481.db2.gz OCXSQSGHZWJVAH-OJLVUWQFSA-N 0 3 274.408 2.497 10 0 CEAEHN CCOC1(CNCc2c(C)nn(C)c2OC)CCCC1 ZINC000336829955 365894063 /nfs/dbraw/zinc/89/40/63/365894063.db2.gz FDAZRWXZPURSCP-UHFFFAOYSA-N 0 3 281.400 2.176 10 0 CEAEHN C[C@@H](C(=O)Nc1ncccc1[O-])[C@H]([NH3+])c1ccccc1 ZINC000128604620 187379469 /nfs/dbraw/zinc/37/94/69/187379469.db2.gz UTRDLOIFSRMIAT-MFKMUULPSA-N 0 3 271.320 2.062 10 0 CEAEHN C[C@@H](N)c1ccccc1NC(=O)c1ccncc1F ZINC000086316287 179269892 /nfs/dbraw/zinc/26/98/92/179269892.db2.gz GMYLRWTXIRSTDE-SECBINFHSA-N 0 3 259.284 2.493 10 0 CEAEHN NC[C@H](c1cc(Cl)cs1)N1CCCOCC1 ZINC000086333327 179273173 /nfs/dbraw/zinc/27/31/73/179273173.db2.gz UTZNZUDJQMAYDH-SNVBAGLBSA-N 0 3 260.790 2.124 10 0 CEAEHN CCCN1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086441970 179293976 /nfs/dbraw/zinc/29/39/76/179293976.db2.gz FMGKVYCLGMHCMW-NSHDSACASA-N 0 3 280.441 2.011 10 0 CEAEHN CN(CC1CCN(C)CC1)c1nc2c(s1)CCCC2=O ZINC000086441812 179294020 /nfs/dbraw/zinc/29/40/20/179294020.db2.gz JZZRQWIENXDUFQ-UHFFFAOYSA-N 0 3 293.436 2.440 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)[C@H](CC)CN1 ZINC000086446283 179295062 /nfs/dbraw/zinc/29/50/62/179295062.db2.gz SADMROMSQOIANU-VXGBXAGGSA-N 0 3 283.803 2.281 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)[C@@H](CC)CN1 ZINC000086446987 179295366 /nfs/dbraw/zinc/29/53/66/179295366.db2.gz FUAQJBBQQXIYJC-KGLIPLIRSA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@H]1CN(C(=O)Cc2ccsc2)[C@@H](CC)CN1 ZINC000086448215 179295722 /nfs/dbraw/zinc/29/57/22/179295722.db2.gz WRFZKKXPBJERCS-STQMWFEESA-N 0 3 266.410 2.280 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(OC)cc2[O-])[C@H](CC)C[NH2+]1 ZINC000086446950 179295861 /nfs/dbraw/zinc/29/58/61/179295861.db2.gz LUOINPCLEVDBMH-VXGBXAGGSA-N 0 3 292.379 2.003 10 0 CEAEHN COc1ccccc1-c1nn(C)cc1CNC1CC1 ZINC000086485741 179301511 /nfs/dbraw/zinc/30/15/11/179301511.db2.gz MGXVMURUDAZIHR-UHFFFAOYSA-N 0 3 257.337 2.348 10 0 CEAEHN c1ccc2c(c1)C[C@H]2c1ncc(CNC2CC2)cn1 ZINC000086490750 179302571 /nfs/dbraw/zinc/30/25/71/179302571.db2.gz UJDFPNHZPWFISK-OAHLLOKOSA-N 0 3 251.333 2.417 10 0 CEAEHN COC[C@H](C)N(C)Cc1ccc(Br)cc1N ZINC000086706291 179322321 /nfs/dbraw/zinc/32/23/21/179322321.db2.gz IKYIAGVCBCMLCF-VIFPVBQESA-N 0 3 287.201 2.498 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCC[C@@H]2S(C)(=O)=O)s1 ZINC000086675780 179318686 /nfs/dbraw/zinc/31/86/86/179318686.db2.gz QHPYBLPFTQUGJD-NEPJUHHUSA-N 0 3 273.423 2.112 10 0 CEAEHN CC[C@H](C(C)C)N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776224 179328665 /nfs/dbraw/zinc/32/86/65/179328665.db2.gz SCLAYHPOSSLPAB-HUUCEWRRSA-N 0 3 282.428 2.434 10 0 CEAEHN CC[C@H](C(C)C)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776224 179328667 /nfs/dbraw/zinc/32/86/67/179328667.db2.gz SCLAYHPOSSLPAB-HUUCEWRRSA-N 0 3 282.428 2.434 10 0 CEAEHN CCOCCN1CCN(Cc2ccncc2)C[C@@H]1CC ZINC000130389051 365951350 /nfs/dbraw/zinc/95/13/50/365951350.db2.gz JXHRJYHTPQKGAN-INIZCTEOSA-N 0 3 277.412 2.014 10 0 CEAEHN CO[C@H](C)[C@H](C)N[C@@H](CN(C)C)c1ccccc1 ZINC000128700173 187385407 /nfs/dbraw/zinc/38/54/07/187385407.db2.gz INJXGDOURXYGEL-GUTXKFCHSA-N 0 3 250.386 2.302 10 0 CEAEHN CN1CCC[C@@](O)(c2ccc(F)c(F)c2F)CC1 ZINC000086833857 179350555 /nfs/dbraw/zinc/35/05/55/179350555.db2.gz LZSAKZLSSRCDAS-ZDUSSCGKSA-N 0 3 259.271 2.407 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869200 179361629 /nfs/dbraw/zinc/36/16/29/179361629.db2.gz GNNWGQBZWLGPLB-UONOGXRCSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@H]([N@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869200 179361630 /nfs/dbraw/zinc/36/16/30/179361630.db2.gz GNNWGQBZWLGPLB-UONOGXRCSA-N 0 3 268.401 2.190 10 0 CEAEHN CCOC(=O)[C@@]1(NC(C)C)CCCN(C(C)C)CC1 ZINC000086849779 179358634 /nfs/dbraw/zinc/35/86/34/179358634.db2.gz PNXLMIDZSKKQKQ-OAHLLOKOSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCN1CCC[C@@](N)(c2noc(C(F)(F)F)n2)CC1 ZINC000086851790 179359065 /nfs/dbraw/zinc/35/90/65/179359065.db2.gz YARXDLNUKAJXPV-NSHDSACASA-N 0 3 292.305 2.138 10 0 CEAEHN COCCN[C@@]1(c2nc(C)c(C)s2)CCCOCC1 ZINC000086877143 179365635 /nfs/dbraw/zinc/36/56/35/179365635.db2.gz KPBICCNXODZFDA-AWEZNQCLSA-N 0 3 284.425 2.392 10 0 CEAEHN CC[C@@H]1CCC[C@@](NCCN(C)C)(C(=O)OC)CC1 ZINC000086915921 179367189 /nfs/dbraw/zinc/36/71/89/179367189.db2.gz SIGNFZZXIDGTPK-HIFRSBDPSA-N 0 3 270.417 2.040 10 0 CEAEHN CCn1cc([C@@H](NC)[C@@H]2CSCCS2)cn1 ZINC000086985068 179373835 /nfs/dbraw/zinc/37/38/35/179373835.db2.gz PHCYIZYZDVMARU-WDEREUQCSA-N 0 3 257.428 2.012 10 0 CEAEHN CCNCc1cnc([C@H]2CSCCS2)nc1 ZINC000086985380 179373919 /nfs/dbraw/zinc/37/39/19/179373919.db2.gz ZRBNJWSQFJNCRB-SNVBAGLBSA-N 0 3 255.412 2.107 10 0 CEAEHN CCS(=O)(=O)CCC[C@@](C)(N)c1ccccc1OC ZINC000086977392 179372126 /nfs/dbraw/zinc/37/21/26/179372126.db2.gz OLORAGKLVFTLHB-CQSZACIVSA-N 0 3 285.409 2.084 10 0 CEAEHN CC(C)NCc1cnc([C@H]2CSCCO2)s1 ZINC000086989826 179374474 /nfs/dbraw/zinc/37/44/74/179374474.db2.gz UCILYFMNRDHWOQ-SNVBAGLBSA-N 0 3 258.412 2.446 10 0 CEAEHN CCCNCc1cnc([C@@H]2CSCCO2)s1 ZINC000086989819 179374877 /nfs/dbraw/zinc/37/48/77/179374877.db2.gz IQDLZMZIBPYVOD-JTQLQIEISA-N 0 3 258.412 2.447 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN([C@H]2C=CCCC2)C1 ZINC000066497712 362870356 /nfs/dbraw/zinc/87/03/56/362870356.db2.gz CATQJHXFWCETAQ-KBPBESRZSA-N 0 3 250.386 2.476 10 0 CEAEHN C[C@H]1CCC[C@@](O)(CNCc2cn3ccccc3n2)C1 ZINC000087064173 179390013 /nfs/dbraw/zinc/39/00/13/179390013.db2.gz IWKRDMKHFXETCJ-BBRMVZONSA-N 0 3 273.380 2.365 10 0 CEAEHN CCC1CCC(O)(CN[C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000087066082 179390250 /nfs/dbraw/zinc/39/02/50/179390250.db2.gz XGCUWTFAAWTFPR-VEAWUBTESA-N 0 3 284.444 2.211 10 0 CEAEHN CC(C)[C@H]1COCCCN1CCNC(=O)OC(C)(C)C ZINC000616646799 348546041 /nfs/dbraw/zinc/54/60/41/348546041.db2.gz WHEVCZSBGDFLJQ-CYBMUJFWSA-N 0 3 286.416 2.258 10 0 CEAEHN N[C@@H]1CN(C(=O)C2CCC2)CC[C@H]1c1cccc(F)c1 ZINC000616569604 348523488 /nfs/dbraw/zinc/52/34/88/348523488.db2.gz IZRVUEVHXQTLPD-LSDHHAIUSA-N 0 3 276.355 2.269 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1COCCCN1C(C)(C)C ZINC000616599975 348530442 /nfs/dbraw/zinc/53/04/42/348530442.db2.gz ULDXNXVCYMAMID-LBPRGKRZSA-N 0 3 286.416 2.401 10 0 CEAEHN CCOC(=O)c1ccc([C@H]2CCCN(CCO)C2)cc1 ZINC000616617654 348535604 /nfs/dbraw/zinc/53/56/04/348535604.db2.gz AVUACXDQHSUXEL-HNNXBMFYSA-N 0 3 277.364 2.035 10 0 CEAEHN OCCN1CCC(c2ccc3ccccc3n2)CC1 ZINC000616619916 348536497 /nfs/dbraw/zinc/53/64/97/348536497.db2.gz SNYRKUNCVAWGPK-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN OCCN1CCC(c2cc3ccccc3cn2)CC1 ZINC000616619871 348536597 /nfs/dbraw/zinc/53/65/97/348536597.db2.gz SEBZDZAIHQOZLW-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN Cc1ccnc(Cl)c1NC(=O)[C@@H]1CCCCN1 ZINC000088188952 179561231 /nfs/dbraw/zinc/56/12/31/179561231.db2.gz BUYOMJKTVGZKQE-VIFPVBQESA-N 0 3 253.733 2.124 10 0 CEAEHN CCN1CCO[C@H](c2ccc3nnccc3c2)CC1 ZINC000616687333 348560717 /nfs/dbraw/zinc/56/07/17/348560717.db2.gz VCLBFPIZFJKGDJ-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN C[C@@H]1CCC[C@@](N)(C(=O)N(C)CCC(F)(F)F)C1 ZINC000088420433 179597421 /nfs/dbraw/zinc/59/74/21/179597421.db2.gz BVEFHECAWSHKLE-KOLCDFICSA-N 0 3 266.307 2.305 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(CCCC(=O)c2ccccc2)C1 ZINC000401761650 233184916 /nfs/dbraw/zinc/18/49/16/233184916.db2.gz SHONJMXJJDYJIF-DZGCQCFKSA-N 0 3 261.365 2.352 10 0 CEAEHN Cc1ccc(C)c(OCCN2C[C@H](O)C[C@H](C)C2)c1 ZINC000401707927 233185398 /nfs/dbraw/zinc/18/53/98/233185398.db2.gz RPYSWVAHMXAILO-DZGCQCFKSA-N 0 3 263.381 2.385 10 0 CEAEHN CN[C@H]1COC[C@H]1c1nc2cc(Cl)ccc2o1 ZINC000090424770 179984554 /nfs/dbraw/zinc/98/45/54/179984554.db2.gz STKMTRGZKZJURR-SCZZXKLOSA-N 0 3 252.701 2.183 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1cc(F)cc(C(F)(F)F)c1 ZINC000623765317 350106324 /nfs/dbraw/zinc/10/63/24/350106324.db2.gz QUABJHVQIQRDOR-NEPJUHHUSA-N 0 3 293.260 2.084 10 0 CEAEHN C[C@]1(c2nc3cc(F)ccc3n2C2CC2)COC[C@H]1N ZINC000090571730 180007860 /nfs/dbraw/zinc/00/78/60/180007860.db2.gz SGYDVISRESMZKC-HIFRSBDPSA-N 0 3 275.327 2.126 10 0 CEAEHN C[C@]1(C(=O)Nc2cccc(Cl)c2Cl)COC[C@@H]1N ZINC000090581934 180008288 /nfs/dbraw/zinc/00/82/88/180008288.db2.gz URFZFVHDGRWCTD-CABZTGNLSA-N 0 3 289.162 2.296 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccccc2C(F)(F)F)COC[C@H]1N ZINC000090580304 180008542 /nfs/dbraw/zinc/00/85/42/180008542.db2.gz LLSWDPUZTJBTEQ-ZYHUDNBSSA-N 0 3 288.269 2.008 10 0 CEAEHN C[C@]1(C(=O)Nc2cccc(C(F)(F)F)c2)COC[C@H]1N ZINC000090580315 180008835 /nfs/dbraw/zinc/00/88/35/180008835.db2.gz WBHOXGSNOZTTIZ-PWSUYJOCSA-N 0 3 288.269 2.008 10 0 CEAEHN CCC(C)(C)C1CCC(NC(=O)[C@]2(C)COC[C@H]2N)CC1 ZINC000090585352 180009126 /nfs/dbraw/zinc/00/91/26/180009126.db2.gz UBVAVMBBFSMJLF-YJJGSOMYSA-N 0 3 296.455 2.461 10 0 CEAEHN CCCCN(C(=O)[C@@]1(C)COC[C@H]1N)c1ccccc1 ZINC000090605520 180011269 /nfs/dbraw/zinc/01/12/69/180011269.db2.gz FOONSCUUOZIMJH-ZBFHGGJFSA-N 0 3 276.380 2.184 10 0 CEAEHN CCOc1ccc(Nc2cc(OC)nc(C)n2)cc1CN ZINC000090787495 180040457 /nfs/dbraw/zinc/04/04/57/180040457.db2.gz PZRVHEVJQUPULD-UHFFFAOYSA-N 0 3 288.351 2.395 10 0 CEAEHN CC(C)(C)NCc1cn(C[C@H]2Cc3ccccc3O2)nn1 ZINC000090878897 180051862 /nfs/dbraw/zinc/05/18/62/180051862.db2.gz CKSUWPGJYFMVIN-CQSZACIVSA-N 0 3 286.379 2.170 10 0 CEAEHN COc1cc(CNC[C@@H]2Cc3cc(C)ccc3O2)ccn1 ZINC000090897989 180057469 /nfs/dbraw/zinc/05/74/69/180057469.db2.gz KULRKVIEFWZLEF-HNNXBMFYSA-N 0 3 284.359 2.492 10 0 CEAEHN NC[C@@H](c1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905402 180060020 /nfs/dbraw/zinc/06/00/20/180060020.db2.gz OYNAGTCPSWVWAK-MJBXVCDLSA-N 0 3 266.772 2.203 10 0 CEAEHN CCc1ccccc1[C@@H](CN)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905682 180060148 /nfs/dbraw/zinc/06/01/48/180060148.db2.gz ZLESSXWOBQYLTD-IJEWVQPXSA-N 0 3 260.381 2.112 10 0 CEAEHN CCc1ccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090905947 180060786 /nfs/dbraw/zinc/06/07/86/180060786.db2.gz AYZOTHSIRVXPGU-LOWVWBTDSA-N 0 3 266.410 2.174 10 0 CEAEHN CCc1ccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090905946 180061013 /nfs/dbraw/zinc/06/10/13/180061013.db2.gz AYZOTHSIRVXPGU-NTZNESFSSA-N 0 3 266.410 2.174 10 0 CEAEHN CCc1ccc([C@@H](N)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906095 180061436 /nfs/dbraw/zinc/06/14/36/180061436.db2.gz QRDVBODSMWBXJF-XHSDSOJGSA-N 0 3 260.381 2.112 10 0 CEAEHN Nc1ccsc1CNCc1ccc2c(c1)OCO2 ZINC000090959103 180075260 /nfs/dbraw/zinc/07/52/60/180075260.db2.gz CMWRCEMUBCSITI-UHFFFAOYSA-N 0 3 262.334 2.349 10 0 CEAEHN C[C@@H](NC[C@@H]1Cc2ccccc21)C(=O)NC(C)(C)C ZINC000090992342 180081635 /nfs/dbraw/zinc/08/16/35/180081635.db2.gz LQIRQALUXJLDOI-YPMHNXCESA-N 0 3 260.381 2.219 10 0 CEAEHN COc1cccc(Cn2ccnc2CNCC(C)C)n1 ZINC000091002911 180083905 /nfs/dbraw/zinc/08/39/05/180083905.db2.gz KRVWGJPCNPWVCN-UHFFFAOYSA-N 0 3 274.368 2.081 10 0 CEAEHN Fc1cc2nc(C[C@@H]3CSCCN3)[nH]c2cc1F ZINC000091128494 180100227 /nfs/dbraw/zinc/10/02/27/180100227.db2.gz SMVFCFKEDUPLPI-SSDOTTSWSA-N 0 3 269.320 2.089 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1OC(=O)C[C@@H]1CSCCN1 ZINC000091129938 180101085 /nfs/dbraw/zinc/10/10/85/180101085.db2.gz TWDAWXILGPVOKB-UTUOFQBUSA-N 0 3 257.399 2.203 10 0 CEAEHN Cc1ccnc(-n2ncc(CN)c2C(F)(F)F)c1 ZINC000091338386 180136142 /nfs/dbraw/zinc/13/61/42/180136142.db2.gz MBAAOPGQOSAZNJ-UHFFFAOYSA-N 0 3 256.231 2.053 10 0 CEAEHN COc1ccccc1-n1ncc(CN)c1C(F)F ZINC000091338677 180136173 /nfs/dbraw/zinc/13/61/73/180136173.db2.gz JYXVSNFOPXQEFF-UHFFFAOYSA-N 0 3 253.252 2.277 10 0 CEAEHN CCOc1ccccc1[C@@H](N)CSC[C@@H](C)CO ZINC000091261583 180116211 /nfs/dbraw/zinc/11/62/11/180116211.db2.gz OFWBCAGVBPWNLJ-AAEUAGOBSA-N 0 3 269.410 2.447 10 0 CEAEHN CNCc1cc(F)c(SC[C@@H](C)CO)c(F)c1 ZINC000091260035 180116215 /nfs/dbraw/zinc/11/62/15/180116215.db2.gz FJCHUFFBGQCXIL-QMMMGPOBSA-N 0 3 261.337 2.405 10 0 CEAEHN Cc1nn(C)c(S[C@@H](C)CCO)c1CNC(C)C ZINC000091268355 180117029 /nfs/dbraw/zinc/11/70/29/180117029.db2.gz BODBMKFOUQGQSM-JTQLQIEISA-N 0 3 271.430 2.090 10 0 CEAEHN CN[C@@H](CS[C@@H](C)CCO)c1ccc(OC)cc1 ZINC000091269031 180117114 /nfs/dbraw/zinc/11/71/14/180117114.db2.gz CNEHKTKBTJBRLA-FZMZJTMJSA-N 0 3 269.410 2.460 10 0 CEAEHN CC(C)(C)N1C(=O)CC[C@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275546 180119125 /nfs/dbraw/zinc/11/91/25/180119125.db2.gz VTRFWJPVOIIDSM-SMDDNHRTSA-N 0 3 276.384 2.007 10 0 CEAEHN CCCN[C@H]1COc2cc(OCc3cncn3C)ccc21 ZINC000091278471 180121187 /nfs/dbraw/zinc/12/11/87/180121187.db2.gz FNVNZUYUUCCMBB-HNNXBMFYSA-N 0 3 287.363 2.432 10 0 CEAEHN CCCn1c(C[C@H]2CNCCO2)nc2ccc(F)cc21 ZINC000091293352 180124361 /nfs/dbraw/zinc/12/43/61/180124361.db2.gz ULMHEGBOZPJNOI-LBPRGKRZSA-N 0 3 277.343 2.116 10 0 CEAEHN CCc1nc(N2CCC[C@@H](N(C)C)C2)sc1C=O ZINC000091449305 180157418 /nfs/dbraw/zinc/15/74/18/180157418.db2.gz DCISWPNHCDDBKQ-SNVBAGLBSA-N 0 3 267.398 2.048 10 0 CEAEHN OC1CC(N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000091449509 180157972 /nfs/dbraw/zinc/15/79/72/180157972.db2.gz LDUDXOXDCSCKHS-SHVIVCPWSA-N 0 3 253.342 2.476 10 0 CEAEHN Cc1cc([C@@H](NCC2CC2)C(N)=O)ccc1Br ZINC000091471546 180165630 /nfs/dbraw/zinc/16/56/30/180165630.db2.gz VANQDIDHSJIEJE-GFCCVEGCSA-N 0 3 297.196 2.284 10 0 CEAEHN Cc1ncccc1NC(=O)[C@@H](CN)c1ccccc1 ZINC000091496139 180171468 /nfs/dbraw/zinc/17/14/68/180171468.db2.gz VNRAWJWFTDLXPU-ZDUSSCGKSA-N 0 3 255.321 2.071 10 0 CEAEHN CN(C)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2N)C1 ZINC000091392506 180144979 /nfs/dbraw/zinc/14/49/79/180144979.db2.gz BQJAEKISFCJTPJ-LLVKDONJSA-N 0 3 281.787 2.088 10 0 CEAEHN Cc1ccccc1C(=O)CN1CCC[C@H](N(C)C)C1 ZINC000091393754 180145651 /nfs/dbraw/zinc/14/56/51/180145651.db2.gz WRQAZQDBVTUNAH-AWEZNQCLSA-N 0 3 260.381 2.204 10 0 CEAEHN CCCN(CC(F)(F)F)c1cncc(CNCC)n1 ZINC000091419820 180150546 /nfs/dbraw/zinc/15/05/46/180150546.db2.gz ZJFPIEDKYWRUOI-UHFFFAOYSA-N 0 3 276.306 2.365 10 0 CEAEHN CC(C)CNCc1cncc(N2CCCSCC2)n1 ZINC000091420979 180150977 /nfs/dbraw/zinc/15/09/77/180150977.db2.gz FLEMMGDFTUYXCP-UHFFFAOYSA-N 0 3 280.441 2.166 10 0 CEAEHN CCn1cc([C@H](N)C(C)(C)N2CCCCC2)cn1 ZINC000091564601 180193288 /nfs/dbraw/zinc/19/32/88/180193288.db2.gz NBQRADZHBUSKHA-ZDUSSCGKSA-N 0 3 250.390 2.167 10 0 CEAEHN CCn1ccnc1[C@@H](N)C(C)(C)N1CCCCC1 ZINC000091564578 180193328 /nfs/dbraw/zinc/19/33/28/180193328.db2.gz BNALLLPEIDTKCF-GFCCVEGCSA-N 0 3 250.390 2.167 10 0 CEAEHN CCn1ccnc1[C@H](N)C(C)(C)N1CCCCC1 ZINC000091564577 180193713 /nfs/dbraw/zinc/19/37/13/180193713.db2.gz BNALLLPEIDTKCF-LBPRGKRZSA-N 0 3 250.390 2.167 10 0 CEAEHN Cc1ccc([C@@H](N)C(C)(C)N2CCOCC2)c(C)c1 ZINC000091566063 180194259 /nfs/dbraw/zinc/19/42/59/180194259.db2.gz QKKZUABTZYTIBE-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN CCn1nc(C)cc1CC(=O)[C@@](C)(CC)N(C)C ZINC000091568851 180195016 /nfs/dbraw/zinc/19/50/16/180195016.db2.gz JKDROGZUWTURRY-CQSZACIVSA-N 0 3 251.374 2.053 10 0 CEAEHN CCN(CC)[C@](C)(CC)[C@@H](NC)c1cnccn1 ZINC000091599178 180202056 /nfs/dbraw/zinc/20/20/56/180202056.db2.gz ISSCSNQPDVWGKT-UONOGXRCSA-N 0 3 250.390 2.248 10 0 CEAEHN CC[C@](C)([C@H](N)c1cccc(F)c1F)N1CCOCC1 ZINC000091612106 180207381 /nfs/dbraw/zinc/20/73/81/180207381.db2.gz PFDJBJGCQGDJBM-HUUCEWRRSA-N 0 3 284.350 2.466 10 0 CEAEHN CCCN[C@H](c1nccn1C)C(C)(C)N1CCCC1 ZINC000091536231 180182145 /nfs/dbraw/zinc/18/21/45/180182145.db2.gz RUNTZHMXVZSEGJ-CYBMUJFWSA-N 0 3 264.417 2.335 10 0 CEAEHN CCC(CC)([C@H](NC)c1cnccn1)N1CCCC1 ZINC000091635090 180211012 /nfs/dbraw/zinc/21/10/12/180211012.db2.gz MTRLSHHUFYTJOR-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN Cc1cnc(Cl)nc1NC[C@H]1CCCCN1C ZINC000091658755 180219007 /nfs/dbraw/zinc/21/90/07/180219007.db2.gz CHENRTJXZVDORO-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN CN[C@H](c1cc(C)c(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091717508 180232980 /nfs/dbraw/zinc/23/29/80/180232980.db2.gz IZMQZPBQTASTQP-JKSUJKDBSA-N 0 3 262.397 2.203 10 0 CEAEHN CCN[C@@H](c1csc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718812 180233219 /nfs/dbraw/zinc/23/32/19/180233219.db2.gz XECCIUAVKLJUBK-OLZOCXBDSA-N 0 3 254.399 2.038 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1)[C@H]1CN(C)CCO1 ZINC000091719256 180234379 /nfs/dbraw/zinc/23/43/79/180234379.db2.gz XTYKEKNSFOURFK-CVEARBPZSA-N 0 3 278.396 2.067 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccc(F)c(Cl)c1 ZINC000624235806 350239447 /nfs/dbraw/zinc/23/94/47/350239447.db2.gz PRGXRTREJVMIKY-HJIKLVIJSA-N 0 3 273.735 2.280 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2sc(C)nc2C)C1 ZINC000092052278 180313094 /nfs/dbraw/zinc/31/30/94/180313094.db2.gz IMDVGGKVFLWMBM-GXFFZTMASA-N 0 3 283.441 2.131 10 0 CEAEHN CCN[C@H](C)c1ccccc1OC[C@@H]1CN(C)CCO1 ZINC000092054202 180314265 /nfs/dbraw/zinc/31/42/65/180314265.db2.gz MAOBVCIZUFGJDS-KGLIPLIRSA-N 0 3 278.396 2.067 10 0 CEAEHN CC[C@@H]1CN(C(=O)N2CCCCCC2)[C@@H](CC)CN1 ZINC000091971676 180295662 /nfs/dbraw/zinc/29/56/62/180295662.db2.gz MGRBLUJOOZGFRM-KGLIPLIRSA-N 0 3 267.417 2.445 10 0 CEAEHN CNCc1nc(C)ccc1OCC1(O)CCCCC1 ZINC000091994401 180301156 /nfs/dbraw/zinc/30/11/56/180301156.db2.gz ZBLUZFLGINZLKQ-UHFFFAOYSA-N 0 3 264.369 2.183 10 0 CEAEHN CNCc1nc(C)ccc1OCCOC(F)(F)F ZINC000091994340 180301349 /nfs/dbraw/zinc/30/13/49/180301349.db2.gz JITKWDUFBCBHJZ-UHFFFAOYSA-N 0 3 264.247 2.025 10 0 CEAEHN Cc1ccc(O[C@H](C)C(=O)NC(C)C)c(CNC(C)C)n1 ZINC000091995594 180301738 /nfs/dbraw/zinc/30/17/38/180301738.db2.gz VPYHUNJCBKNCEI-CYBMUJFWSA-N 0 3 293.411 2.180 10 0 CEAEHN CCCNCc1nc(C)ccc1OCC(=O)N[C@H](C)CC ZINC000091995294 180302007 /nfs/dbraw/zinc/30/20/07/180302007.db2.gz HEVUFWSFDSOGNM-GFCCVEGCSA-N 0 3 293.411 2.183 10 0 CEAEHN CCc1nnc(COc2ccc(C)nc2CNC(C)C)o1 ZINC000091995539 180302016 /nfs/dbraw/zinc/30/20/16/180302016.db2.gz YBGOUSKCMJIOQP-UHFFFAOYSA-N 0 3 290.367 2.412 10 0 CEAEHN COCCNCc1cnn(-c2cc(F)c(F)c(F)c2)c1C ZINC000092150628 180334032 /nfs/dbraw/zinc/33/40/32/180334032.db2.gz ZIPJQKIUZFADMT-UHFFFAOYSA-N 0 3 299.296 2.334 10 0 CEAEHN CNCc1nc(C(C)C)ncc1N1C[C@H](C)[C@H](C)C1 ZINC000092088898 180321683 /nfs/dbraw/zinc/32/16/83/180321683.db2.gz MLGQIAANKXQRGU-TXEJJXNPSA-N 0 3 262.401 2.412 10 0 CEAEHN CSc1ccc(C(=O)N2[C@H](C)CNC[C@H]2C)cc1 ZINC000092232195 180348298 /nfs/dbraw/zinc/34/82/98/180348298.db2.gz KVSNCMPZPOBERZ-GHMZBOCLSA-N 0 3 264.394 2.231 10 0 CEAEHN CCCCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105820626 186074740 /nfs/dbraw/zinc/07/47/40/186074740.db2.gz DHZNJOSOISRFTG-INIZCTEOSA-N 0 3 262.397 2.138 10 0 CEAEHN CC(C)OCCCN1CCC(N(C)c2cccnn2)CC1 ZINC000105910283 186088763 /nfs/dbraw/zinc/08/87/63/186088763.db2.gz NPHVVSMMUYGUNY-UHFFFAOYSA-N 0 3 292.427 2.192 10 0 CEAEHN CCOCCN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922304 186091426 /nfs/dbraw/zinc/09/14/26/186091426.db2.gz LNKRYKVUYVVNOG-ZDUSSCGKSA-N 0 3 251.374 2.210 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(C)c2)CCN1C[C@@H](C)O ZINC000106103463 186103384 /nfs/dbraw/zinc/10/33/84/186103384.db2.gz NFOQPDRYYLZYMR-NVXWUHKLSA-N 0 3 276.424 2.272 10 0 CEAEHN CCCNc1cccc(CN2CC[C@@H](COC)C2)n1 ZINC000092371116 180369968 /nfs/dbraw/zinc/36/99/68/180369968.db2.gz YRCZXCDZBPTWTE-CYBMUJFWSA-N 0 3 263.385 2.372 10 0 CEAEHN CCCNc1ccnc(CN(CC)CCOC)c1 ZINC000092418681 180380811 /nfs/dbraw/zinc/38/08/11/180380811.db2.gz NXRLEYPQMLQXLH-UHFFFAOYSA-N 0 3 251.374 2.372 10 0 CEAEHN CNc1ccnc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000092418838 180380962 /nfs/dbraw/zinc/38/09/62/180380962.db2.gz QIXYURYIUZKOQT-GJZGRUSLSA-N 0 3 261.369 2.267 10 0 CEAEHN CCNc1ccnc(CN2CCSC[C@H]2C)c1 ZINC000092419285 180382551 /nfs/dbraw/zinc/38/25/51/180382551.db2.gz STZRZZMVWAVCLK-LLVKDONJSA-N 0 3 251.399 2.451 10 0 CEAEHN COc1cccc(N(C)C(=O)CNC(C)(C)C)c1 ZINC000092461101 180390460 /nfs/dbraw/zinc/39/04/60/180390460.db2.gz MLXQBZUVWMRPRG-UHFFFAOYSA-N 0 3 250.342 2.046 10 0 CEAEHN NNc1cc(C2CC2)nc(-c2ccc3c(c2)CCO3)n1 ZINC000109528093 186260075 /nfs/dbraw/zinc/26/00/75/186260075.db2.gz PDXQCSWJRAZEBM-UHFFFAOYSA-N 0 3 268.320 2.242 10 0 CEAEHN CN(c1cc(CN)nc2ccccc21)C1CCOCC1 ZINC000109588449 186263944 /nfs/dbraw/zinc/26/39/44/186263944.db2.gz JSHOLKKPKAATPI-UHFFFAOYSA-N 0 3 271.364 2.309 10 0 CEAEHN Cc1nnc(Sc2nc3c(cc2CN)CCCC3)n1C ZINC000109686484 186269030 /nfs/dbraw/zinc/26/90/30/186269030.db2.gz BIUCJNVJUBOMBA-UHFFFAOYSA-N 0 3 289.408 2.007 10 0 CEAEHN CC(C)(C)NCC(=O)Nc1nc(C2CC2)cs1 ZINC000109215656 186245689 /nfs/dbraw/zinc/24/56/89/186245689.db2.gz WIDUGNGTLGMPEQ-UHFFFAOYSA-N 0 3 253.371 2.347 10 0 CEAEHN Cn1cnnc1CCN[C@H]1CCSc2c(F)cccc21 ZINC000109422460 186251955 /nfs/dbraw/zinc/25/19/55/186251955.db2.gz DCUIVWMLBOXGKB-LBPRGKRZSA-N 0 3 292.383 2.323 10 0 CEAEHN CCC[C@@H](C(N)=S)N1CCN(CC2CCCC2)CC1 ZINC000109470001 186254095 /nfs/dbraw/zinc/25/40/95/186254095.db2.gz XZXJNKRSONTDIU-AWEZNQCLSA-N 0 3 283.485 2.249 10 0 CEAEHN CC[NH2+][C@](C)(CCN(CCC(C)C)C1CC1)C(=O)[O-] ZINC000109956522 186280628 /nfs/dbraw/zinc/28/06/28/186280628.db2.gz WNWRJSUVBWBHMF-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN O=c1ccccn1CCNCc1cccc(Cl)c1 ZINC000110056567 186284244 /nfs/dbraw/zinc/28/42/44/186284244.db2.gz HAJURSXXJMKRGK-UHFFFAOYSA-N 0 3 262.740 2.292 10 0 CEAEHN CN[C@H](CO[C@@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526795 186301354 /nfs/dbraw/zinc/30/13/54/186301354.db2.gz CPDXDYWESLFXQW-TZMCWYRMSA-N 0 3 265.353 2.070 10 0 CEAEHN COC(=O)[C@@H](C(C)C)n1c(N)nc2cc(F)c(OC)cc21 ZINC000110629927 186307844 /nfs/dbraw/zinc/30/78/44/186307844.db2.gz FHBCQXMAJKMMOV-GFCCVEGCSA-N 0 3 295.314 2.136 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCC1)c1cc(F)ccc1F ZINC000147607865 539803774 /nfs/dbraw/zinc/80/37/74/539803774.db2.gz LUSUCILXAVTWMB-QMMMGPOBSA-N 0 3 254.280 2.023 10 0 CEAEHN COCc1cccc(NC(=O)CNC(C)(C)C)c1 ZINC000110839076 186328442 /nfs/dbraw/zinc/32/84/42/186328442.db2.gz FSAAORIFCWYSKO-UHFFFAOYSA-N 0 3 250.342 2.160 10 0 CEAEHN CN(CC(=O)Nc1ccccc1CN)CC1CCCC1 ZINC000110833798 186328790 /nfs/dbraw/zinc/32/87/90/186328790.db2.gz SHJGELYXAFQYRG-UHFFFAOYSA-N 0 3 275.396 2.206 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OC[C@H](C)C(N)=O ZINC000110960665 186336576 /nfs/dbraw/zinc/33/65/76/186336576.db2.gz YBPAEEKEGJCQGM-NWDGAFQWSA-N 0 3 264.369 2.166 10 0 CEAEHN CC[C@H]1CN(CCNc2ccccc2C)CCN1C ZINC000110757405 186321636 /nfs/dbraw/zinc/32/16/36/186321636.db2.gz QMYZFSVJVRDRQS-HNNXBMFYSA-N 0 3 261.413 2.433 10 0 CEAEHN CS(=O)(=O)CCS[C@@H](CN)c1ccccc1Cl ZINC000111003971 186341568 /nfs/dbraw/zinc/34/15/68/186341568.db2.gz PNRZKVJISMPDKE-NSHDSACASA-N 0 3 293.841 2.118 10 0 CEAEHN CC(C)CN(CCN(C)C)c1ccc(F)cc1C(N)=S ZINC000111031979 186346661 /nfs/dbraw/zinc/34/66/61/186346661.db2.gz ANAPOJTYAPFUPD-UHFFFAOYSA-N 0 3 297.443 2.484 10 0 CEAEHN COc1ccc(C)cc1[C@@H](N)CN(C)C[C@@H]1CCCOC1 ZINC000111160258 186362812 /nfs/dbraw/zinc/36/28/12/186362812.db2.gz LAEISFPLLGCAJL-HOCLYGCPSA-N 0 3 292.423 2.362 10 0 CEAEHN CCCOCCOC[C@H](N)c1ccccc1OC ZINC000111107834 186352288 /nfs/dbraw/zinc/35/22/88/186352288.db2.gz SXLCDJGJYWZCRD-ZDUSSCGKSA-N 0 3 253.342 2.138 10 0 CEAEHN CCOCCN(CC)c1nc(C)cc(C)c1CN ZINC000111116238 186353365 /nfs/dbraw/zinc/35/33/65/186353365.db2.gz RPCQKLGZVSVWPE-UHFFFAOYSA-N 0 3 251.374 2.020 10 0 CEAEHN CCCOCCOC[C@H](N)c1ccc(OC)cc1OC ZINC000111108395 186353632 /nfs/dbraw/zinc/35/36/32/186353632.db2.gz VJWAZWLLUPGYIK-AWEZNQCLSA-N 0 3 283.368 2.147 10 0 CEAEHN CCOCCN(CC)c1ccc(CNCC(C)C)nn1 ZINC000111123439 186354642 /nfs/dbraw/zinc/35/46/42/186354642.db2.gz NAIHCBUVGOQSNF-UHFFFAOYSA-N 0 3 280.416 2.085 10 0 CEAEHN CCc1ccc(C(=O)CN(C)CCCN(C)C)s1 ZINC000111140086 186357477 /nfs/dbraw/zinc/35/74/77/186357477.db2.gz AGCATGQGNHDECH-UHFFFAOYSA-N 0 3 268.426 2.377 10 0 CEAEHN Cc1cc(C)c(C(=O)CN(C)CCN(C)C)c(C)c1 ZINC000111139833 186357559 /nfs/dbraw/zinc/35/75/59/186357559.db2.gz QVWWVQXJMLMASM-UHFFFAOYSA-N 0 3 262.397 2.288 10 0 CEAEHN CN(Cc1nc2ccc(N)cc2[nH]1)C[C@H]1CCCOC1 ZINC000111154916 186359849 /nfs/dbraw/zinc/35/98/49/186359849.db2.gz IMQBMTGTEOQAGC-LLVKDONJSA-N 0 3 274.368 2.004 10 0 CEAEHN FC(F)(F)[C@]1(c2nc(-c3ccccc3)n[n-]2)CC[NH2+]C1 ZINC000111241373 186375010 /nfs/dbraw/zinc/37/50/10/186375010.db2.gz ORJKREDAYFDWNP-GFCCVEGCSA-N 0 3 282.269 2.265 10 0 CEAEHN CCN(C(=O)c1ccc(CN)cn1)c1ccc(F)cc1 ZINC000111282231 186387665 /nfs/dbraw/zinc/38/76/65/186387665.db2.gz HQMKTXCWQMOZFR-UHFFFAOYSA-N 0 3 273.311 2.346 10 0 CEAEHN CCC1CCC(NC(=O)c2ccc(CN)cn2)CC1 ZINC000111281793 186387835 /nfs/dbraw/zinc/38/78/35/186387835.db2.gz CNQVTUWEYPCOHD-UHFFFAOYSA-N 0 3 261.369 2.239 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)c1ccc(CN)cn1 ZINC000111281802 186388835 /nfs/dbraw/zinc/38/88/35/186388835.db2.gz HECOQHMPMUVJFR-LBPRGKRZSA-N 0 3 263.385 2.485 10 0 CEAEHN N[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(F)ccc1F ZINC000111367728 186408106 /nfs/dbraw/zinc/40/81/06/186408106.db2.gz KSKUGMUJNLWKKP-GJZGRUSLSA-N 0 3 288.297 2.319 10 0 CEAEHN O=C(C1CCN(C2CC2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000195361816 539811713 /nfs/dbraw/zinc/81/17/13/539811713.db2.gz LDXUIAVNBGDIHB-HOTGVXAUSA-N 0 3 292.423 2.031 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc(OCCF)c2)C1 ZINC000123187056 187076529 /nfs/dbraw/zinc/07/65/29/187076529.db2.gz JJVBXYYPEZDZII-CYBMUJFWSA-N 0 3 295.358 2.203 10 0 CEAEHN CC[C@](C)(O)CN(C)Cc1ccc(OC)cc1OC ZINC000123032366 187067106 /nfs/dbraw/zinc/06/71/06/187067106.db2.gz BVXMLFXZYQHSTG-HNNXBMFYSA-N 0 3 267.369 2.297 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1 ZINC000124035323 187119388 /nfs/dbraw/zinc/11/93/88/187119388.db2.gz UAQYDQWBPLCVRR-ZDUSSCGKSA-N 0 3 282.334 2.060 10 0 CEAEHN C[C@H](CN[C@@H](C)c1ccccc1F)N1CCOCC1 ZINC000123211188 187077870 /nfs/dbraw/zinc/07/78/70/187077870.db2.gz CPJSFUCZQLSCRQ-OLZOCXBDSA-N 0 3 266.360 2.197 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1cccn1C)c1ccccc1 ZINC000123492812 187095221 /nfs/dbraw/zinc/09/52/21/187095221.db2.gz GFICIUNYPAWCIQ-AWEZNQCLSA-N 0 3 271.364 2.058 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)CNC(C)C)cc1F ZINC000094956488 539888315 /nfs/dbraw/zinc/88/83/15/539888315.db2.gz NZZQCFWTQRGURB-NSHDSACASA-N 0 3 252.333 2.309 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1cc(C)no1 ZINC000252693665 539893304 /nfs/dbraw/zinc/89/33/04/539893304.db2.gz PDECIHNETMOXCZ-KGLIPLIRSA-N 0 3 263.385 2.432 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000152198981 188002391 /nfs/dbraw/zinc/00/23/91/188002391.db2.gz FLOYVYJGRAREQC-JTQLQIEISA-N 0 3 270.735 2.255 10 0 CEAEHN Cc1ccccc1OCCCN1CCO[C@H](CN(C)C)C1 ZINC000155343223 188199745 /nfs/dbraw/zinc/19/97/45/188199745.db2.gz KMPWCQURNUBIIH-MRXNPFEDSA-N 0 3 292.423 2.026 10 0 CEAEHN C[C@H](N)C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000157323812 188309403 /nfs/dbraw/zinc/30/94/03/188309403.db2.gz WLZZSMNBURUWTO-JTQLQIEISA-N 0 3 295.452 2.494 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccco2)=C[C@@H](N)C1 ZINC000675079458 540119493 /nfs/dbraw/zinc/11/94/93/540119493.db2.gz ZCJLWEUKNLDEHO-LLVKDONJSA-N 0 3 264.325 2.241 10 0 CEAEHN CCN[S@@](=O)(=NC1CCC1)c1ccc(N)cc1 ZINC000675074804 540116033 /nfs/dbraw/zinc/11/60/33/540116033.db2.gz IHMLVNBJQGNXIX-QGZVFWFLSA-N 0 3 253.371 2.173 10 0 CEAEHN CCC[C@@H]1C[C@H]1N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271805160 191339189 /nfs/dbraw/zinc/33/91/89/191339189.db2.gz YDLPRPJVKXGGTA-MPKXVKKWSA-N 0 3 282.409 2.173 10 0 CEAEHN O[C@@H]1CCC[C@H]1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000037693606 540168303 /nfs/dbraw/zinc/16/83/03/540168303.db2.gz IGCRRIDNILRNCF-HUUCEWRRSA-N 0 3 280.799 2.375 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000134602156 366345780 /nfs/dbraw/zinc/34/57/80/366345780.db2.gz ACQKFEFNQPSDKJ-MRVPVSSYSA-N 0 3 288.725 2.394 10 0 CEAEHN CCN1CCC[C@H](Nc2nc3ccccc3n2C)C1 ZINC000079045180 363569363 /nfs/dbraw/zinc/56/93/63/363569363.db2.gz ZEFMSEFTHPILFP-LBPRGKRZSA-N 0 3 258.369 2.470 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2cncc(Br)c2)C1 ZINC000166496384 540304841 /nfs/dbraw/zinc/30/48/41/540304841.db2.gz DXBWHXNHZUVALD-RYUDHWBXSA-N 0 3 285.185 2.237 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(OC)cc2)C1 ZINC000157146150 540351477 /nfs/dbraw/zinc/35/14/77/540351477.db2.gz SSSMZTXFFLNQLU-CJNGLKHVSA-N 0 3 278.396 2.067 10 0 CEAEHN NC(=O)[C@H](NCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000038000904 283343738 /nfs/dbraw/zinc/34/37/38/283343738.db2.gz SGGOYAXQPKMJQP-LLVKDONJSA-N 0 3 272.270 2.231 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCC(=O)NC(C)(C)C)c1C ZINC000135680191 366466376 /nfs/dbraw/zinc/46/63/76/366466376.db2.gz ADXPIGAGVBBBII-LLVKDONJSA-N 0 3 294.443 2.475 10 0 CEAEHN NC(=O)C[C@@H](N[C@@H]1CCN(C2CC2)C1=O)C1CCCCC1 ZINC000329439297 202336839 /nfs/dbraw/zinc/33/68/39/202336839.db2.gz MOGBNIRYSHONBI-ZIAGYGMSSA-N 0 3 293.411 2.214 10 0 CEAEHN C[C@@H](NC[C@H](O)CN1CCCCC1)c1cccnc1Cl ZINC000151277585 366637159 /nfs/dbraw/zinc/63/71/59/366637159.db2.gz BWCJZAWATYGCLA-OLZOCXBDSA-N 0 3 297.830 2.232 10 0 CEAEHN Cc1nc(Cl)ccc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000151312529 366638232 /nfs/dbraw/zinc/63/82/32/366638232.db2.gz GZQMVRXHNNGSLI-CMPLNLGQSA-N 0 3 293.798 2.352 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(F)c1 ZINC000176963505 189017336 /nfs/dbraw/zinc/01/73/36/189017336.db2.gz KAIVGPLWJDIGNX-CQSZACIVSA-N 0 3 264.344 2.382 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)Oc1ccccc1 ZINC000176974837 189017854 /nfs/dbraw/zinc/01/78/54/189017854.db2.gz XLQVCDRLLFCGQL-HUUCEWRRSA-N 0 3 290.407 2.397 10 0 CEAEHN CCOC[C@@H]1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000081479251 363721806 /nfs/dbraw/zinc/72/18/06/363721806.db2.gz BCNYNUWPEVWNAC-HUUCEWRRSA-N 0 3 299.459 2.031 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1Cc1cccnc1 ZINC000178316961 189106613 /nfs/dbraw/zinc/10/66/13/189106613.db2.gz RZVBNEKMYUZRJX-OAHLLOKOSA-N 0 3 256.353 2.251 10 0 CEAEHN C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)C1CC1 ZINC000178398767 189113137 /nfs/dbraw/zinc/11/31/37/189113137.db2.gz MYVBBYMURILNNX-DOMZBBRYSA-N 0 3 260.381 2.452 10 0 CEAEHN c1nn2ccccc2c1CN1CCN2CCCC[C@@H]2C1 ZINC000179677496 189212717 /nfs/dbraw/zinc/21/27/17/189212717.db2.gz MQGKAAAMJPEREK-OAHLLOKOSA-N 0 3 270.380 2.004 10 0 CEAEHN COc1c(CNCCC2(F)CCC2)c(C)nn1C ZINC000342194928 216253583 /nfs/dbraw/zinc/25/35/83/216253583.db2.gz FKHJYOIMSFQTNI-UHFFFAOYSA-N 0 3 255.337 2.109 10 0 CEAEHN CC[C@@H](C)N[C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000179804706 189221333 /nfs/dbraw/zinc/22/13/33/189221333.db2.gz IAIKHMYLWMRGFW-NXEZZACHSA-N 0 3 278.360 2.330 10 0 CEAEHN CC[C@@H](C)[NH2+][C@H](CC(C)C)c1nc(-c2nc[n-]n2)no1 ZINC000179804706 189221334 /nfs/dbraw/zinc/22/13/34/189221334.db2.gz IAIKHMYLWMRGFW-NXEZZACHSA-N 0 3 278.360 2.330 10 0 CEAEHN CCC(CC)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000153910250 366743457 /nfs/dbraw/zinc/74/34/57/366743457.db2.gz KJRKLQNEJPIJAO-LBPRGKRZSA-N 0 3 280.416 2.493 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000236989558 370672804 /nfs/dbraw/zinc/67/28/04/370672804.db2.gz SETZTOJYQOZNAO-CHWSQXEVSA-N 0 3 250.317 2.057 10 0 CEAEHN CC(C)Cc1ccc(CNC[C@H]2CN(C)CCO2)cc1 ZINC000083552792 363779754 /nfs/dbraw/zinc/77/97/54/363779754.db2.gz ALIBQPPNHOWBMN-KRWDZBQOSA-N 0 3 276.424 2.305 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000183068322 189345020 /nfs/dbraw/zinc/34/50/20/189345020.db2.gz KPJRCVXIRXEPEH-XUJVJEKNSA-N 0 3 293.411 2.249 10 0 CEAEHN CCC(CC)[C@@H]1C[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCO1 ZINC000183086506 189346122 /nfs/dbraw/zinc/34/61/22/189346122.db2.gz JITVUBKFQWEOJP-ATGSNQNLSA-N 0 3 284.444 2.460 10 0 CEAEHN C[C@H]1CNC[C@H](c2cccc(Br)c2)O1 ZINC000032108964 361726445 /nfs/dbraw/zinc/72/64/45/361726445.db2.gz QBQFLRSLORLINS-GZMMTYOYSA-N 0 3 256.143 2.499 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000032216370 361733715 /nfs/dbraw/zinc/73/37/15/361733715.db2.gz MDEWPEDRNRYTBT-AWEZNQCLSA-N 0 3 258.321 2.312 10 0 CEAEHN CCc1onc(C)c1NC(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000093093939 364141580 /nfs/dbraw/zinc/14/15/80/364141580.db2.gz FYJOHMOXGNONRN-CMPLNLGQSA-N 0 3 292.383 2.246 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H](C)CCCO)c1C ZINC000094942435 364309560 /nfs/dbraw/zinc/30/95/60/364309560.db2.gz LNZACWCSQXPJSB-QWRGUYRKSA-N 0 3 253.390 2.331 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cccc(F)c1N ZINC000156399453 366832314 /nfs/dbraw/zinc/83/23/14/366832314.db2.gz JBFFCFNERCOWRT-GXTWGEPZSA-N 0 3 277.387 2.467 10 0 CEAEHN COCc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)o1 ZINC000097359376 364492730 /nfs/dbraw/zinc/49/27/30/364492730.db2.gz JTULYTGTOCJEOG-GFCCVEGCSA-N 0 3 282.384 2.132 10 0 CEAEHN CCc1nc(CC(=O)N[C@H](CC(C)C)CN(C)C)cs1 ZINC000098035854 364524898 /nfs/dbraw/zinc/52/48/98/364524898.db2.gz LITWTDAGRHESKU-GFCCVEGCSA-N 0 3 297.468 2.341 10 0 CEAEHN CCN(CCNC(=O)N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000101976039 364581414 /nfs/dbraw/zinc/58/14/14/364581414.db2.gz MRTSUDOCCLIRRS-GFCCVEGCSA-N 0 3 279.384 2.433 10 0 CEAEHN CCC[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)N(C)C ZINC000159231889 283791950 /nfs/dbraw/zinc/79/19/50/283791950.db2.gz LQCOFFZTYKKDFJ-UONOGXRCSA-N 0 3 282.428 2.325 10 0 CEAEHN CC[C@@H]1CN(CCc2ccccc2)CCN1CCOC ZINC000105836396 364702339 /nfs/dbraw/zinc/70/23/39/364702339.db2.gz XJPKUPOBFGHHQV-QGZVFWFLSA-N 0 3 276.424 2.272 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000113232939 364877944 /nfs/dbraw/zinc/87/79/44/364877944.db2.gz BOOJVSRTQZWOIZ-VXGBXAGGSA-N 0 3 290.411 2.016 10 0 CEAEHN Cc1noc(C)c1CN1CC[C@H](c2cnn(C)c2)C1 ZINC000116318519 365051578 /nfs/dbraw/zinc/05/15/78/365051578.db2.gz HPIQUPKNMVABMZ-LBPRGKRZSA-N 0 3 260.341 2.014 10 0 CEAEHN COC(=O)CCCN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000116399424 365053293 /nfs/dbraw/zinc/05/32/93/365053293.db2.gz AMYNGAILYRPLIN-CYBMUJFWSA-N 0 3 279.384 2.127 10 0 CEAEHN CC[C@](C)(O)CN1CCN(c2cccc(C)c2)CC1 ZINC000119396013 365266865 /nfs/dbraw/zinc/26/68/65/365266865.db2.gz VFEPRZHQGOOSIO-INIZCTEOSA-N 0 3 262.397 2.278 10 0 CEAEHN CCc1noc(C)c1CN1CCC[C@@H]1CCCO ZINC000119212965 365237118 /nfs/dbraw/zinc/23/71/18/365237118.db2.gz XSCPHSOBHDWGOZ-GFCCVEGCSA-N 0 3 252.358 2.282 10 0 CEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000120522534 365437373 /nfs/dbraw/zinc/43/73/73/365437373.db2.gz FKUZPPRXGRVXGS-LZWOXQAQSA-N 0 3 294.439 2.228 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2coc3ccccc23)C[C@H]1C ZINC000120592417 365447959 /nfs/dbraw/zinc/44/79/59/365447959.db2.gz PYSDVJCZMCAXKF-ZIAGYGMSSA-N 0 3 288.391 2.320 10 0 CEAEHN C[C@@H](O)CN1CCN(CC2CCC(C)CC2)C[C@H]1C ZINC000120672899 365458792 /nfs/dbraw/zinc/45/87/92/365458792.db2.gz UYCCRWXPTHQYOP-LVDPKSTMSA-N 0 3 268.445 2.200 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC(C)(CC)CC)C1 ZINC000121099963 365523550 /nfs/dbraw/zinc/52/35/50/365523550.db2.gz BITDKIXBPWOTJQ-GFCCVEGCSA-N 0 3 255.406 2.349 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1cccc(F)c1F ZINC000282484024 299360876 /nfs/dbraw/zinc/36/08/76/299360876.db2.gz XAXZMZCAPKTKLG-HOTUBEGUSA-N 0 3 268.307 2.283 10 0 CEAEHN CNC(=O)N(c1ccccc1)[C@H]1CCN(C(C)C)C1 ZINC000584649285 367175238 /nfs/dbraw/zinc/17/52/38/367175238.db2.gz KQUNQXQMPXUVPB-AWEZNQCLSA-N 0 3 261.369 2.315 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1cccnc1 ZINC000245429285 370818843 /nfs/dbraw/zinc/81/88/43/370818843.db2.gz KEZBOUPQSIZZMB-UKRRQHHQSA-N 0 3 275.396 2.128 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](C)Oc1ccccc1F)N(C)C ZINC000162326813 367151191 /nfs/dbraw/zinc/15/11/91/367151191.db2.gz ZMZTYADIUOZVFC-OCCSQVGLSA-N 0 3 296.386 2.440 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)CCc1cccn1C)N(C)C ZINC000162311506 367151845 /nfs/dbraw/zinc/15/18/45/367151845.db2.gz UDQIFNHJXHSUMJ-HIFRSBDPSA-N 0 3 279.428 2.193 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C(=O)OC)c1ccccc1 ZINC000245474057 370826473 /nfs/dbraw/zinc/82/64/73/370826473.db2.gz QMGVLZQJJYUDNQ-JKSUJKDBSA-N 0 3 290.407 2.317 10 0 CEAEHN CC1(C)C[C@@H](NCC2(O)CCOCC2)c2ccccc2O1 ZINC000163142730 367220734 /nfs/dbraw/zinc/22/07/34/367220734.db2.gz SSLAXOGIHZESLW-CQSZACIVSA-N 0 3 291.391 2.420 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2ccc(C)cc2C)CC1 ZINC000164036244 367274857 /nfs/dbraw/zinc/27/48/57/367274857.db2.gz IDBCPXORWWDMOB-KRWDZBQOSA-N 0 3 276.424 2.192 10 0 CEAEHN CC[C@@H](NC[C@@H]1CN(C)CCO1)c1ccccc1F ZINC000164074767 367275966 /nfs/dbraw/zinc/27/59/66/367275966.db2.gz YWBUKSONFGKZNL-IUODEOHRSA-N 0 3 266.360 2.197 10 0 CEAEHN CC/C=C\CCN1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000342252628 367397786 /nfs/dbraw/zinc/39/77/86/367397786.db2.gz SRLFQCYCRUFXBZ-NHQLZKDQSA-N 0 3 254.418 2.120 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000171074598 367471106 /nfs/dbraw/zinc/47/11/06/367471106.db2.gz ULKYPGXZCRWQQY-HNNXBMFYSA-N 0 3 299.378 2.040 10 0 CEAEHN Cc1cccc(C)c1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171070939 367471494 /nfs/dbraw/zinc/47/14/94/367471494.db2.gz IQPUGPNCXAAVLP-CYBMUJFWSA-N 0 3 261.369 2.471 10 0 CEAEHN COc1cc(C)ccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171080627 367473660 /nfs/dbraw/zinc/47/36/60/367473660.db2.gz DPOILRNTHXOIFB-GFCCVEGCSA-N 0 3 277.368 2.171 10 0 CEAEHN Cc1cc(C)c(CNC(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000170835164 367429386 /nfs/dbraw/zinc/42/93/86/367429386.db2.gz UEGADPMOIAKBDE-OAHLLOKOSA-N 0 3 289.423 2.457 10 0 CEAEHN CCCc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170855348 367430843 /nfs/dbraw/zinc/43/08/43/367430843.db2.gz MKQYKWLKBMSWKQ-HNNXBMFYSA-N 0 3 260.381 2.415 10 0 CEAEHN Cc1ccc(C(=O)CCC(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000170859816 367431987 /nfs/dbraw/zinc/43/19/87/367431987.db2.gz PYCWFQYFGMFVMP-GFCCVEGCSA-N 0 3 294.420 2.182 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cccc3ncccc32)C1 ZINC000170856412 367433124 /nfs/dbraw/zinc/43/31/24/367433124.db2.gz FKQDKXYYNPLTDV-GFCCVEGCSA-N 0 3 269.348 2.011 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000170865905 367436229 /nfs/dbraw/zinc/43/62/29/367436229.db2.gz CYPHZEJZWXSHOO-CYBMUJFWSA-N 0 3 285.347 2.118 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCCOc2cccc(F)c2)C1 ZINC000170864670 367436606 /nfs/dbraw/zinc/43/66/06/367436606.db2.gz DKUZSPWSJVNCSU-CQSZACIVSA-N 0 3 294.370 2.147 10 0 CEAEHN CCS[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)C(C)C ZINC000171192335 367495407 /nfs/dbraw/zinc/49/54/07/367495407.db2.gz OREYXSXAWDNIAB-CHWSQXEVSA-N 0 3 270.442 2.071 10 0 CEAEHN CCOC(=O)CCCN1CC[C@H](CNc2ccccn2)C1 ZINC000171037646 367466134 /nfs/dbraw/zinc/46/61/34/367466134.db2.gz YHGKDECDGJPVRM-CQSZACIVSA-N 0 3 291.395 2.159 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(CCc3ccncc3)C2)no1 ZINC000171503577 367556989 /nfs/dbraw/zinc/55/69/89/367556989.db2.gz QVBFUSNYWKBDOL-OAHLLOKOSA-N 0 3 286.379 2.270 10 0 CEAEHN Cc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1Cl ZINC000171302968 367519317 /nfs/dbraw/zinc/51/93/17/367519317.db2.gz VQLWJKBNNYMERC-GFCCVEGCSA-N 0 3 266.772 2.425 10 0 CEAEHN C[C@H]1CN(CCC(=O)Nc2ccccc2)CCS1 ZINC000171685967 367593423 /nfs/dbraw/zinc/59/34/23/367593423.db2.gz WSBNMYHJZBMSEU-LBPRGKRZSA-N 0 3 264.394 2.453 10 0 CEAEHN O=C(Nc1ccc2[nH]ccc2c1)N1CCN2CCC[C@@H]2C1 ZINC000171892339 367634358 /nfs/dbraw/zinc/63/43/58/367634358.db2.gz IDURQWUVLNIAMK-CQSZACIVSA-N 0 3 284.363 2.480 10 0 CEAEHN CCCC(O)(CCC)CNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000172560986 367776058 /nfs/dbraw/zinc/77/60/58/367776058.db2.gz BKPYBRIIYCJXFV-CQSZACIVSA-N 0 3 299.459 2.101 10 0 CEAEHN Cc1nc(C)c(CN2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000172823302 367824176 /nfs/dbraw/zinc/82/41/76/367824176.db2.gz MVMWHFFASGSSLE-GFCCVEGCSA-N 0 3 276.409 2.483 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000175825998 368179364 /nfs/dbraw/zinc/17/93/64/368179364.db2.gz QJXLNFMRDHLERF-MGPQQGTHSA-N 0 3 279.428 2.301 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ncc(C)s1 ZINC000176266944 368217934 /nfs/dbraw/zinc/21/79/34/368217934.db2.gz NEWLARQVRHBJNF-LLVKDONJSA-N 0 3 282.413 2.400 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ncc(C)s1 ZINC000177550960 368272355 /nfs/dbraw/zinc/27/23/55/368272355.db2.gz UBHCYBKTKGTWAM-GFCCVEGCSA-N 0 3 296.440 2.077 10 0 CEAEHN C[C@@H](NC[C@@H](O)COC(C)(C)C)c1cccc(O)c1 ZINC000181575363 368471745 /nfs/dbraw/zinc/47/17/45/368471745.db2.gz XPSRQPWIHNPVOL-BXUZGUMPSA-N 0 3 267.369 2.219 10 0 CEAEHN CCc1cnccc1C(=O)N(C)C[C@H]1CCCN1CC ZINC000182561838 368567724 /nfs/dbraw/zinc/56/77/24/368567724.db2.gz UBPDKZXFYQPCPD-CQSZACIVSA-N 0 3 275.396 2.200 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@H]2CCCC[C@@H]2C)CC1 ZINC000183062314 368608335 /nfs/dbraw/zinc/60/83/35/368608335.db2.gz HPAXNGFARITOPS-XHSDSOJGSA-N 0 3 268.445 2.201 10 0 CEAEHN COc1ccsc1[C@H](C)NC[C@H](C)N1CCOCC1 ZINC000186096433 368919206 /nfs/dbraw/zinc/91/92/06/368919206.db2.gz CLUKGNZOISILAQ-RYUDHWBXSA-N 0 3 284.425 2.128 10 0 CEAEHN C[C@H]1CN(Cc2cccc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246379511 370953455 /nfs/dbraw/zinc/95/34/55/370953455.db2.gz IBPKVGWZYCVLAO-XJKSGUPXSA-N 0 3 294.826 2.493 10 0 CEAEHN C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246379504 370953497 /nfs/dbraw/zinc/95/34/97/370953497.db2.gz IBPKVGWZYCVLAO-CZUORRHYSA-N 0 3 294.826 2.493 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC000189241052 369481347 /nfs/dbraw/zinc/48/13/47/369481347.db2.gz HYJTYMUOVRFXJW-SECBINFHSA-N 0 3 258.774 2.178 10 0 CEAEHN Cc1nc(Cl)ccc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000246597275 370982121 /nfs/dbraw/zinc/98/21/21/370982121.db2.gz GZQMVRXHNNGSLI-ZYHUDNBSSA-N 0 3 293.798 2.352 10 0 CEAEHN O=C(N[C@H]1CCC12CCCC2)N1CCN2CCC[C@@H]2C1 ZINC000335832447 284168230 /nfs/dbraw/zinc/16/82/30/284168230.db2.gz WJWQHMGJNCBLLV-KGLIPLIRSA-N 0 3 277.412 2.199 10 0 CEAEHN C[C@H]1OCCC[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000189966247 369582579 /nfs/dbraw/zinc/58/25/79/369582579.db2.gz GVEOMLYXROEUSH-GDBMZVCRSA-N 0 3 290.407 2.050 10 0 CEAEHN CCCCOC[C@@H](O)CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000193366782 369933181 /nfs/dbraw/zinc/93/31/81/369933181.db2.gz OBWUXSOYBQRYSC-OCCSQVGLSA-N 0 3 295.379 2.244 10 0 CEAEHN CC[C@@H](CNCc1cnn(C)c1C)NC(=O)OC(C)(C)C ZINC000227713743 370382226 /nfs/dbraw/zinc/38/22/26/370382226.db2.gz BTIFUJSWGAMLDN-ZDUSSCGKSA-N 0 3 296.415 2.121 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1cccs1 ZINC000227905539 370389387 /nfs/dbraw/zinc/38/93/87/370389387.db2.gz MLXOXTQLNWWHOY-GFCCVEGCSA-N 0 3 257.399 2.358 10 0 CEAEHN C[C@H](C(=O)NCCC[C@@H]1CCC[C@@H]1O)N1[C@H](C)CC[C@@H]1C ZINC000230181274 370444314 /nfs/dbraw/zinc/44/43/14/370444314.db2.gz RLLXSWKHUIZCPA-LEOABGAYSA-N 0 3 296.455 2.305 10 0 CEAEHN CO[C@H]1C[C@@H](CO)N(Cc2ccc(OCC3CC3)cc2)C1 ZINC000343996660 217008627 /nfs/dbraw/zinc/00/86/27/217008627.db2.gz ZFZRCWIWBBBCEF-RDJZCZTQSA-N 0 3 291.391 2.057 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000247017571 371046522 /nfs/dbraw/zinc/04/65/22/371046522.db2.gz SGHQBQWAHAGYMV-STQMWFEESA-N 0 3 293.798 2.434 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CC[C@H]1CCOC1=O ZINC000247059563 371058368 /nfs/dbraw/zinc/05/83/68/371058368.db2.gz VXANFTJLPQCODF-UONOGXRCSA-N 0 3 291.395 2.127 10 0 CEAEHN CC[C@@H]1CN(CCc2ccccc2)CCN1C[C@H](C)O ZINC000247150743 371071043 /nfs/dbraw/zinc/07/10/43/371071043.db2.gz LNGOGEFOYITVEX-DOTOQJQBSA-N 0 3 276.424 2.006 10 0 CEAEHN C[C@H](Oc1ccccc1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247170897 371074009 /nfs/dbraw/zinc/07/40/09/371074009.db2.gz KSHJKSDZCYOMAT-ILXRZTDVSA-N 0 3 288.391 2.149 10 0 CEAEHN COCc1cccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000247306178 371090194 /nfs/dbraw/zinc/09/01/94/371090194.db2.gz LQGYTQUYDTVRTM-XJKSGUPXSA-N 0 3 290.407 2.292 10 0 CEAEHN CC(=O)c1ccccc1OCCN1CCN2CCC[C@H]2C1 ZINC000247436919 371107796 /nfs/dbraw/zinc/10/77/96/371107796.db2.gz ZHDIGRRTZQWPPJ-HNNXBMFYSA-N 0 3 288.391 2.048 10 0 CEAEHN C[C@H](O)CN1CCN([C@H]2CCc3ccc(F)cc32)C[C@@H]1C ZINC000248343240 371177059 /nfs/dbraw/zinc/17/70/59/371177059.db2.gz KAZZPOBBZYJRSV-DCGLDWPTSA-N 0 3 292.398 2.200 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249037952 371285146 /nfs/dbraw/zinc/28/51/46/371285146.db2.gz YCBDIBJSWGGLPG-CWRNSKLLSA-N 0 3 290.407 2.221 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000249773243 371362161 /nfs/dbraw/zinc/36/21/61/371362161.db2.gz UPURXNUNIVCFEQ-HZSPNIEDSA-N 0 3 267.417 2.349 10 0 CEAEHN C[C@@H]1CN(Cc2ccc3ccccc3n2)CC[C@H]1O ZINC000251544488 371406542 /nfs/dbraw/zinc/40/65/42/371406542.db2.gz GQGXIPRZHNEQHE-MLGOLLRUSA-N 0 3 256.349 2.438 10 0 CEAEHN CC(C)C1CCC(NC(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261777203 371728202 /nfs/dbraw/zinc/72/82/02/371728202.db2.gz FZKRBFCJDWUGJT-PESDSKBTSA-N 0 3 282.428 2.071 10 0 CEAEHN O=C(Nc1cccc2ccccc21)[C@@H]1CNCCOC1 ZINC000643614919 373221426 /nfs/dbraw/zinc/22/14/26/373221426.db2.gz QLCKSDZMPTZRRM-CYBMUJFWSA-N 0 3 270.332 2.014 10 0 CEAEHN C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CNCCOC1 ZINC000643633600 373227487 /nfs/dbraw/zinc/22/74/87/373227487.db2.gz NDPDYRLCNFANQJ-DGCLKSJQSA-N 0 3 296.798 2.095 10 0 CEAEHN CC(C)OC[C@@H](O)CN1CCC(c2nccs2)CC1 ZINC000368847363 373278147 /nfs/dbraw/zinc/27/81/47/373278147.db2.gz YHNKNAMBZFCVGP-ZDUSSCGKSA-N 0 3 284.425 2.108 10 0 CEAEHN C[C@@H](c1cccc(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247169302 220219240 /nfs/dbraw/zinc/21/92/40/220219240.db2.gz QYNNFFSGPCFEII-XJKSGUPXSA-N 0 3 278.371 2.293 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1csc(Cl)n1 ZINC000274517975 373948187 /nfs/dbraw/zinc/94/81/87/373948187.db2.gz RSCDDBGPQZRMEU-BDAKNGLRSA-N 0 3 285.800 2.105 10 0 CEAEHN C[C@H](CCC(C)(C)C)NC(=O)C(C)(C)N1CCNCC1 ZINC000386208743 375254570 /nfs/dbraw/zinc/25/45/70/375254570.db2.gz GPVZGBSXURBVRU-CYBMUJFWSA-N 0 3 283.460 2.001 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000282247150 375438819 /nfs/dbraw/zinc/43/88/19/375438819.db2.gz GKPPJDGVGMQLKK-BXKDBHETSA-N 0 3 268.307 2.381 10 0 CEAEHN CC(C)Oc1ccccc1CN[C@@H]1CCC(=O)N[C@H]1C ZINC000282405998 375475523 /nfs/dbraw/zinc/47/55/23/375475523.db2.gz PYKQXZPSVMFUGY-GXTWGEPZSA-N 0 3 276.380 2.231 10 0 CEAEHN C[C@@H](CNCc1cc[nH]c1)N(C)C(=O)OC(C)(C)C ZINC000282853493 375595734 /nfs/dbraw/zinc/59/57/34/375595734.db2.gz PRABKSXOHHKMFC-NSHDSACASA-N 0 3 267.373 2.360 10 0 CEAEHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12NCCS2 ZINC000306378972 376546491 /nfs/dbraw/zinc/54/64/91/376546491.db2.gz PGJSHVYILIWZPA-MFKMUULPSA-N 0 3 272.414 2.296 10 0 CEAEHN C[C@@H]1[C@@H](Nc2ncc[nH]c2=O)CCN1Cc1ccccc1 ZINC000307738566 376571046 /nfs/dbraw/zinc/57/10/46/376571046.db2.gz WZCXKRPPBMVBRQ-OCCSQVGLSA-N 0 3 284.363 2.257 10 0 CEAEHN COc1ccc(F)cc1CNC[C@H]1CCCC[C@H]1O ZINC000291278579 377155906 /nfs/dbraw/zinc/15/59/06/377155906.db2.gz UMQWADKYEHMNGO-BXUZGUMPSA-N 0 3 267.344 2.475 10 0 CEAEHN C[C@@H](O)CN1CCN(CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000180084608 542260403 /nfs/dbraw/zinc/26/04/03/542260403.db2.gz MONJIIYXEASIQT-JKSUJKDBSA-N 0 3 290.451 2.351 10 0 CEAEHN Cc1n[nH]cc1[C@H](C)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180857874 542267540 /nfs/dbraw/zinc/26/75/40/542267540.db2.gz SHOIJZOGGNENGM-JQWIXIFHSA-N 0 3 288.399 2.099 10 0 CEAEHN CC(C)n1nnnc1CNC1C2CC3CC(C2)CC1C3 ZINC000550228488 380620164 /nfs/dbraw/zinc/62/01/64/380620164.db2.gz WEVBBCZYPQNQCH-UHFFFAOYSA-N 0 3 275.400 2.168 10 0 CEAEHN C[C@@H](NCC(=O)N(C)C1CCC(C)CC1)[C@@H]1CCCO1 ZINC000183119028 542287077 /nfs/dbraw/zinc/28/70/77/542287077.db2.gz CFYYTAOQEHWIPP-JYVUQVBGSA-N 0 3 282.428 2.181 10 0 CEAEHN CCc1ccc(NC(=O)CN[C@H](C)[C@H]2CCCO2)cc1 ZINC000183139228 542287265 /nfs/dbraw/zinc/28/72/65/542287265.db2.gz CALSIOUJIGCCDI-IUODEOHRSA-N 0 3 276.380 2.345 10 0 CEAEHN Cc1ccccc1CNC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000183121851 542287613 /nfs/dbraw/zinc/28/76/13/542287613.db2.gz SMGFOOHHAICHDU-DZKIICNBSA-N 0 3 290.407 2.157 10 0 CEAEHN CC1(C)C(N[C@H]2CC(=O)N(C3CCCCC3)C2=O)C1(C)C ZINC000092816249 184628299 /nfs/dbraw/zinc/62/82/99/184628299.db2.gz SWWJKQTXQYMWNS-LBPRGKRZSA-N 0 3 292.423 2.471 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC000194677385 542362293 /nfs/dbraw/zinc/36/22/93/542362293.db2.gz WAFMNQPDAWLROW-YPMHNXCESA-N 0 3 291.395 2.401 10 0 CEAEHN CC[C@H]1C[C@]2(CN=C(N)N2c2ccccc2F)CCO1 ZINC000093390954 184670435 /nfs/dbraw/zinc/67/04/35/184670435.db2.gz VZRYPOTYGMDSAL-NHYWBVRUSA-N 0 3 277.343 2.288 10 0 CEAEHN CN[C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920148 177893955 /nfs/dbraw/zinc/89/39/55/177893955.db2.gz CFSBOGNYWCEFKO-NEPJUHHUSA-N 0 3 273.785 2.254 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCCC[C@@H]2C)C1 ZINC000194173663 270293143 /nfs/dbraw/zinc/29/31/43/270293143.db2.gz BCPYWOPESYIXPN-QWHCGFSZSA-N 0 3 253.390 2.055 10 0 CEAEHN COC[C@H]1CCN(c2cccc(CNCC(C)C)n2)C1 ZINC000081117090 177773643 /nfs/dbraw/zinc/77/36/43/177773643.db2.gz OKOQSFYTJQYFEP-AWEZNQCLSA-N 0 3 277.412 2.300 10 0 CEAEHN CC1(C)Cc2cccc([C@@H]3[C@H](N)CC(=O)N3C3CC3)c2O1 ZINC000080508492 177660326 /nfs/dbraw/zinc/66/03/26/177660326.db2.gz DJBOHZSIIHXWAI-UKRRQHHQSA-N 0 3 286.375 2.163 10 0 CEAEHN CC(C)CNCc1ccnc(-c2ccc(F)cn2)n1 ZINC000094050699 184752287 /nfs/dbraw/zinc/75/22/87/184752287.db2.gz RUKAFTVFDLWBLG-UHFFFAOYSA-N 0 3 260.316 2.423 10 0 CEAEHN CC[C@@](C)(N)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000094234565 184767677 /nfs/dbraw/zinc/76/76/77/184767677.db2.gz FBGXMUFCCFAZIY-QMTHXVAHSA-N 0 3 252.333 2.473 10 0 CEAEHN CCC(N)(CC)C(=O)N(C)CCOc1ccc(OC)cc1 ZINC000094244472 184769240 /nfs/dbraw/zinc/76/92/40/184769240.db2.gz FWNJNMTURIQKGB-UHFFFAOYSA-N 0 3 294.395 2.050 10 0 CEAEHN CC1(C)CC[C@H](S(=O)(=O)c2ccc(F)cc2F)[C@H]1N ZINC000094311195 184778423 /nfs/dbraw/zinc/77/84/23/184778423.db2.gz HFCGMOAYIXJJAA-NWDGAFQWSA-N 0 3 289.347 2.254 10 0 CEAEHN CCN[C@H](C)c1cnn([C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412651 184794356 /nfs/dbraw/zinc/79/43/56/184794356.db2.gz IGJJXHLMGXQOIN-UKRRQHHQSA-N 0 3 293.411 2.454 10 0 CEAEHN CN[C@H](c1ccc2c(c1)OCCO2)[C@@]1(C)CCCO1 ZINC000094782909 184862606 /nfs/dbraw/zinc/86/26/06/184862606.db2.gz GIAKBHKVGWCFGB-HUUCEWRRSA-N 0 3 263.337 2.287 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)Nc1ccc(C(=O)N(C)C)cn1 ZINC000095010649 184914849 /nfs/dbraw/zinc/91/48/49/184914849.db2.gz YMWWMKGQSKCXIL-AWEZNQCLSA-N 0 3 292.427 2.172 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)cc1 ZINC000282257870 195554107 /nfs/dbraw/zinc/55/41/07/195554107.db2.gz GWUKYLQIQMUHMF-SKDRFNHKSA-N 0 3 252.745 2.097 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1F ZINC000262095344 131190661 /nfs/dbraw/zinc/19/06/61/131190661.db2.gz BLJOYGRTXCPUBD-BPNCWPANSA-N 0 3 282.359 2.145 10 0 CEAEHN c1ccc2c(c1)nccc2N1CC[C@@H](N2CCOCC2)C1 ZINC000173976260 285526242 /nfs/dbraw/zinc/52/62/42/285526242.db2.gz BDMRWAYPYGNVJM-CQSZACIVSA-N 0 3 283.375 2.146 10 0 CEAEHN NCc1ccc(N2CCCNC2=O)cc1C(F)(F)F ZINC000088191683 135053052 /nfs/dbraw/zinc/05/30/52/135053052.db2.gz SSOAKMKKJYRMMR-UHFFFAOYSA-N 0 3 273.258 2.084 10 0 CEAEHN Cc1cncc(C(=O)N2CC[C@@H](N)c3ccccc32)c1 ZINC000088448537 135054731 /nfs/dbraw/zinc/05/47/31/135054731.db2.gz FTIMOQWPCYSERO-CQSZACIVSA-N 0 3 267.332 2.440 10 0 CEAEHN NCc1ccc(Br)cc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906719 135066039 /nfs/dbraw/zinc/06/60/39/135066039.db2.gz HXNHIPZFONJPMY-TXEJJXNPSA-N 0 3 297.196 2.275 10 0 CEAEHN N[C@H]1Cc2ccccc2N(C(=O)N2CCCCCC2)C1 ZINC000091971671 135074494 /nfs/dbraw/zinc/07/44/94/135074494.db2.gz LBKKXDFBXIOGGD-AWEZNQCLSA-N 0 3 273.380 2.372 10 0 CEAEHN Cc1cccc(N2CCN(Cc3cc(N)ccn3)CC2)c1 ZINC000092418033 135076411 /nfs/dbraw/zinc/07/64/11/135076411.db2.gz GIHVKNZUVWIZFT-UHFFFAOYSA-N 0 3 282.391 2.294 10 0 CEAEHN CC[C@](C)(N)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000094232838 135084385 /nfs/dbraw/zinc/08/43/85/135084385.db2.gz IZLIMDVEMPQUMN-HNNXBMFYSA-N 0 3 276.384 2.138 10 0 CEAEHN CCOc1cc(N2CCN3CCCC[C@@H]3C2)ccc1N ZINC000094439078 135087570 /nfs/dbraw/zinc/08/75/70/135087570.db2.gz HFZFFRHUUCLFFC-CQSZACIVSA-N 0 3 275.396 2.342 10 0 CEAEHN c1cnc(N2CCN3CCCC[C@@H]3C2)c(CNC2CC2)c1 ZINC000094443201 135088555 /nfs/dbraw/zinc/08/85/55/135088555.db2.gz GRIXZXXKSSBXHV-MRXNPFEDSA-N 0 3 286.423 2.008 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1c1cc(Cl)ncn1 ZINC000094442742 135088577 /nfs/dbraw/zinc/08/85/77/135088577.db2.gz GRKXAIZDWDGZTM-GHMZBOCLSA-N 0 3 266.776 2.193 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CC[C@H]1CCCO1 ZINC000251928669 394569683 /nfs/dbraw/zinc/56/96/83/394569683.db2.gz YNVLBVIVLVBZAX-QLFBSQMISA-N 0 3 252.402 2.114 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(CCC(=O)c2ccc(F)cc2)C1 ZINC000401910206 533672997 /nfs/dbraw/zinc/67/29/97/533672997.db2.gz PYGZVHPVUIBVLV-BXUZGUMPSA-N 0 3 265.328 2.101 10 0 CEAEHN Cc1ccc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)nc1 ZINC000248429509 394540442 /nfs/dbraw/zinc/54/04/42/394540442.db2.gz ABHOWHIXFPBMRJ-CHWSQXEVSA-N 0 3 276.384 2.240 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@H]1c1cccn1C ZINC000248653874 394545338 /nfs/dbraw/zinc/54/53/38/394545338.db2.gz OZUSJNOMOKAGPJ-ZBFHGGJFSA-N 0 3 280.412 2.340 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1coc(C)c1 ZINC000249093948 394552072 /nfs/dbraw/zinc/55/20/72/394552072.db2.gz XBURHKAHJZEHOM-KBPBESRZSA-N 0 3 262.353 2.287 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000105872221 394723019 /nfs/dbraw/zinc/72/30/19/394723019.db2.gz UXCAVQBUGYKBKV-GXFFZTMASA-N 0 3 260.316 2.083 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CC[C@@H](C)[C@H](C)C2)C1 ZINC000129373546 394864108 /nfs/dbraw/zinc/86/41/08/394864108.db2.gz NOFMCDJKHDGRLF-APIJFGDWSA-N 0 3 281.444 2.403 10 0 CEAEHN CC(C)c1cccc(NC(=O)C(C)(C)N2CCNCC2)c1 ZINC000129597604 394869426 /nfs/dbraw/zinc/86/94/26/394869426.db2.gz RAHUMTFCOVTWSY-UHFFFAOYSA-N 0 3 289.423 2.432 10 0 CEAEHN CCCCCNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000123416858 394827197 /nfs/dbraw/zinc/82/71/97/394827197.db2.gz FZIFLODMWOCFDX-ZDUSSCGKSA-N 0 3 257.422 2.452 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000132278030 394927106 /nfs/dbraw/zinc/92/71/06/394927106.db2.gz DMPWTAOBYVRNCQ-OLZOCXBDSA-N 0 3 299.484 2.252 10 0 CEAEHN CC(C)(C)[C@H](N)C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000161623521 395064199 /nfs/dbraw/zinc/06/41/99/395064199.db2.gz JTEBZRAHEMPOKV-BFHYXJOUSA-N 0 3 276.380 2.006 10 0 CEAEHN Fc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ncnn2C1 ZINC000180605490 395205127 /nfs/dbraw/zinc/20/51/27/395205127.db2.gz DATCQENWQNGASI-JSGCOSHPSA-N 0 3 272.327 2.009 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1coc(C)c1 ZINC000187746334 395303655 /nfs/dbraw/zinc/30/36/55/395303655.db2.gz XBURHKAHJZEHOM-UONOGXRCSA-N 0 3 262.353 2.287 10 0 CEAEHN CC[C@H](C)[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000183784736 395262009 /nfs/dbraw/zinc/26/20/09/395262009.db2.gz SDTLDEONPBIQRB-XUXIUFHCSA-N 0 3 252.402 2.364 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@@H]1c1cccn1C ZINC000195184885 395461682 /nfs/dbraw/zinc/46/16/82/395461682.db2.gz OZUSJNOMOKAGPJ-GOEBONIOSA-N 0 3 280.412 2.340 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC000194625764 395444260 /nfs/dbraw/zinc/44/42/60/395444260.db2.gz QGYHOAATXKTGAX-HUUCEWRRSA-N 0 3 290.407 2.363 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C\c2ccc(O)cc2)C1 ZINC000493866858 395677317 /nfs/dbraw/zinc/67/73/17/395677317.db2.gz CWNPWDNHWXIGRE-JKEYDSJLSA-N 0 3 274.364 2.006 10 0 CEAEHN CC(=O)N[C@H]1CCCN(Cc2cccc(C)c2C)C1 ZINC000153863767 289124840 /nfs/dbraw/zinc/12/48/40/289124840.db2.gz YNCFDLWDOKWWGW-INIZCTEOSA-N 0 3 260.381 2.404 10 0 CEAEHN O[C@@H]1CCC[C@H](CN2CCO[C@H]3CCCC[C@H]32)C1 ZINC000385294394 400521769 /nfs/dbraw/zinc/52/17/69/400521769.db2.gz QFMLICMZYWCZHM-YJNKXOJESA-N 0 3 253.386 2.181 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000189858071 153109660 /nfs/dbraw/zinc/10/96/60/153109660.db2.gz FPZKCXQZWKALGY-LSDHHAIUSA-N 0 3 296.455 2.382 10 0 CEAEHN C[C@H](CNC(=O)[C@H]1CCCO[C@@H]1C)N1CCC(C)CC1 ZINC000190406698 153128744 /nfs/dbraw/zinc/12/87/44/153128744.db2.gz YKDSZKQTUYGWLW-KFWWJZLASA-N 0 3 282.428 2.038 10 0 CEAEHN O=C(C1CCN(C2CC2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000195361798 153287000 /nfs/dbraw/zinc/28/70/00/153287000.db2.gz LDXUIAVNBGDIHB-CVEARBPZSA-N 0 3 292.423 2.031 10 0 CEAEHN CCc1csc([C@@H]2CCCN(CCCNC(C)=O)C2)n1 ZINC000195384192 153289537 /nfs/dbraw/zinc/28/95/37/153289537.db2.gz IXZMFEASPMIRTJ-CYBMUJFWSA-N 0 3 295.452 2.411 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(CCOC(C)C)C2)no1 ZINC000195517952 153290671 /nfs/dbraw/zinc/29/06/71/153290671.db2.gz QUKHGLHJFJBFGM-ZDUSSCGKSA-N 0 3 267.373 2.058 10 0 CEAEHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1ccccc1 ZINC000195506892 153292967 /nfs/dbraw/zinc/29/29/67/153292967.db2.gz BFISHUHURITVIY-UHFFFAOYSA-N 0 3 284.363 2.228 10 0 CEAEHN CCN1CCC[C@H](NCc2cnn(C(C)C)c2)C1 ZINC000226242229 153329823 /nfs/dbraw/zinc/32/98/23/153329823.db2.gz DARWSQZXTYWIKQ-AWEZNQCLSA-N 0 3 250.390 2.038 10 0 CEAEHN CC(C)(C)c1ccc(CNC(=O)C2(N)CCOCC2)cc1 ZINC000261917826 153877395 /nfs/dbraw/zinc/87/73/95/153877395.db2.gz UPFWQWASVTZCAR-UHFFFAOYSA-N 0 3 290.407 2.108 10 0 CEAEHN CC[C@@H](OC1CCCC1)c1nc([C@@H]2CNCCN2C)no1 ZINC000263221681 154037273 /nfs/dbraw/zinc/03/72/73/154037273.db2.gz LZDMKJSIIMOOEN-QWHCGFSZSA-N 0 3 294.399 2.056 10 0 CEAEHN C[C@H]1CCC[C@@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523465 154112978 /nfs/dbraw/zinc/11/29/78/154112978.db2.gz SERAHGUATYDTCD-UUNGTBAKSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H]1CCC[C@@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523465 154112982 /nfs/dbraw/zinc/11/29/82/154112982.db2.gz SERAHGUATYDTCD-UUNGTBAKSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H]1CCC[C@@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523465 154112985 /nfs/dbraw/zinc/11/29/85/154112985.db2.gz SERAHGUATYDTCD-UUNGTBAKSA-N 0 3 294.439 2.482 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC000263534953 154118382 /nfs/dbraw/zinc/11/83/82/154118382.db2.gz YQQSGPNLYHEQRE-ZUJMUWTESA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@H]2CCCC[C@@H]2C)C1 ZINC000263534953 154118385 /nfs/dbraw/zinc/11/83/85/154118385.db2.gz YQQSGPNLYHEQRE-ZUJMUWTESA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@H]2CCCC[C@@H]2C)C1 ZINC000263534953 154118390 /nfs/dbraw/zinc/11/83/90/154118390.db2.gz YQQSGPNLYHEQRE-ZUJMUWTESA-N 0 3 282.428 2.340 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)c1nc(C(=O)OC)c(C)s1 ZINC000164688614 162337348 /nfs/dbraw/zinc/33/73/48/162337348.db2.gz CSIPNYWIYREUFD-LLVKDONJSA-N 0 3 297.424 2.159 10 0 CEAEHN [NH3+][C@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1 ZINC000166458385 162351403 /nfs/dbraw/zinc/35/14/03/162351403.db2.gz VJWOAMARTWSHKQ-CBAPKCEASA-N 0 3 288.269 2.477 10 0 CEAEHN C[C@H]1CN(C(=O)NCC(C)(C)N2CCCCC2)CCS1 ZINC000171729147 162389221 /nfs/dbraw/zinc/38/92/21/162389221.db2.gz DKRJSJOOOXJIFZ-ZDUSSCGKSA-N 0 3 299.484 2.398 10 0 CEAEHN C[C@@H](NCC1(O)CCOCC1)c1ccc(F)c(F)c1 ZINC000091957541 287019180 /nfs/dbraw/zinc/01/91/80/287019180.db2.gz OMOOASCWPVFPEL-SNVBAGLBSA-N 0 3 271.307 2.157 10 0 CEAEHN O=C(NCc1cc2ccccc2o1)N1CCN2CCC[C@H]2C1 ZINC000171902487 165053756 /nfs/dbraw/zinc/05/37/56/165053756.db2.gz ZAEHLQRPGIXMGI-AWEZNQCLSA-N 0 3 299.374 2.422 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1sc(C)nc1C ZINC000176986025 165180501 /nfs/dbraw/zinc/18/05/01/165180501.db2.gz AVCDGHKNCHVMSU-GFCCVEGCSA-N 0 3 281.425 2.316 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC000176977290 165182271 /nfs/dbraw/zinc/18/22/71/165182271.db2.gz MUMPSMZQNGIVRG-GFCCVEGCSA-N 0 3 252.383 2.304 10 0 CEAEHN CCC(CC)NC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1CC ZINC000177694398 165205671 /nfs/dbraw/zinc/20/56/71/165205671.db2.gz YMORMBHTAWFHSE-HIFRSBDPSA-N 0 3 283.460 2.096 10 0 CEAEHN CCCn1cc(CN2CCC[C@@H]2Cn2ccnc2C)cn1 ZINC000180126902 165296200 /nfs/dbraw/zinc/29/62/00/165296200.db2.gz LARCGDFLEZWUTP-MRXNPFEDSA-N 0 3 287.411 2.463 10 0 CEAEHN CCC[C@H](NC[C@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180493550 165311811 /nfs/dbraw/zinc/31/18/11/165311811.db2.gz HSWHNWIHURVNFZ-IRXDYDNUSA-N 0 3 292.423 2.457 10 0 CEAEHN CSCCCCCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000182191806 165367308 /nfs/dbraw/zinc/36/73/08/165367308.db2.gz CNFHUSYJCIVQRT-AWEZNQCLSA-N 0 3 299.484 2.399 10 0 CEAEHN CCCCCCN1C[C@H](C(=O)OCC)[C@H](C(=O)OCC)C1 ZINC000005308551 170084745 /nfs/dbraw/zinc/08/47/45/170084745.db2.gz QYVHWJKSCFHEIK-OKILXGFUSA-N 0 3 299.411 2.241 10 0 CEAEHN N[C@H](Cn1cccn1)c1cccc(Br)c1 ZINC000011848812 170446765 /nfs/dbraw/zinc/44/67/65/170446765.db2.gz RWWNMBNGUKOOPH-LLVKDONJSA-N 0 3 266.142 2.346 10 0 CEAEHN COc1ccc(NC(=O)[C@H]2CCC[C@@H](C)N2)c(OC)c1 ZINC000019424532 170793971 /nfs/dbraw/zinc/79/39/71/170793971.db2.gz OAOCALLEGFGSPK-ZWNOBZJWSA-N 0 3 278.352 2.173 10 0 CEAEHN CN(C)C[C@@H](N[C@@H]1CCSC1)c1ccccc1 ZINC000020129268 171016795 /nfs/dbraw/zinc/01/67/95/171016795.db2.gz KFJIFFBHIWODRB-ZIAGYGMSSA-N 0 3 250.411 2.384 10 0 CEAEHN C=COCCCNCc1ccc(OC)cc1OC ZINC000020197032 171061439 /nfs/dbraw/zinc/06/14/39/171061439.db2.gz SOIHOZKWKFLOQJ-UHFFFAOYSA-N 0 3 251.326 2.344 10 0 CEAEHN COc1cccc(CN(C)[C@H](CN)c2ccco2)c1 ZINC000020225261 171087568 /nfs/dbraw/zinc/08/75/68/171087568.db2.gz JOECKFCGMFNHRD-CQSZACIVSA-N 0 3 260.337 2.420 10 0 CEAEHN COc1ccccc1CN(C)[C@@H](CN)c1ccco1 ZINC000020225258 171087713 /nfs/dbraw/zinc/08/77/13/171087713.db2.gz KTEKBFNCSKDJPG-ZDUSSCGKSA-N 0 3 260.337 2.420 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@H](C)NCCc1ccc(OC)cc1 ZINC000020364310 171162703 /nfs/dbraw/zinc/16/27/03/171162703.db2.gz KUOUCYDEYRDUDK-OLZOCXBDSA-N 0 3 278.396 2.131 10 0 CEAEHN CN(c1cccc(Cl)c1CO)C1CCN(C)CC1 ZINC000020434994 171200955 /nfs/dbraw/zinc/20/09/55/171200955.db2.gz DWLZTMSWXLVOPV-UHFFFAOYSA-N 0 3 268.788 2.363 10 0 CEAEHN NCc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000021965416 171343430 /nfs/dbraw/zinc/34/34/30/171343430.db2.gz CISNOOOMEZEIRX-UHFFFAOYSA-N 0 3 270.288 2.126 10 0 CEAEHN NCc1cccc(NC(=O)Cn2cnc3ccccc32)c1 ZINC000022168829 171367347 /nfs/dbraw/zinc/36/73/47/171367347.db2.gz NKMVCJNSDWLGQA-UHFFFAOYSA-N 0 3 280.331 2.134 10 0 CEAEHN C[C@@H]1CN([C@H](CN)c2ccccc2Cl)C[C@H](C)O1 ZINC000022169977 171367929 /nfs/dbraw/zinc/36/79/29/171367929.db2.gz NEXRPJBJQLTLSX-UHIISALHSA-N 0 3 268.788 2.449 10 0 CEAEHN COc1ccc([C@@H](CN)N(C)C(C)C)c(OC)c1OC ZINC000022214780 171375353 /nfs/dbraw/zinc/37/53/53/171375353.db2.gz CRDYTJOEWKBROA-GFCCVEGCSA-N 0 3 282.384 2.052 10 0 CEAEHN NCc1ccccc1NC(=O)COC1CCCCC1 ZINC000022218908 171376722 /nfs/dbraw/zinc/37/67/22/171376722.db2.gz KDTCJLVJNRBFGM-UHFFFAOYSA-N 0 3 262.353 2.433 10 0 CEAEHN Nc1ccc2nc(NC(=O)CCN3CCCC3)sc2c1 ZINC000022221352 171378304 /nfs/dbraw/zinc/37/83/04/171378304.db2.gz LQNYPHLYXSDKPY-UHFFFAOYSA-N 0 3 290.392 2.303 10 0 CEAEHN C[C@H](NCCc1cccc(F)c1)C(=O)NC(C)(C)C ZINC000035143029 172010095 /nfs/dbraw/zinc/01/00/95/172010095.db2.gz MHVYQQLUDNRQKA-NSHDSACASA-N 0 3 266.360 2.261 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)N[C@@H]1CCc2ccccc2C1 ZINC000035223333 172066951 /nfs/dbraw/zinc/06/69/51/172066951.db2.gz HNHQHSGKXAHTKQ-XJKSGUPXSA-N 0 3 274.408 2.390 10 0 CEAEHN COC[C@H](C)NC1=NC[C@H](c2ccccc2)S1 ZINC000035294482 172106112 /nfs/dbraw/zinc/10/61/12/172106112.db2.gz XLBPOHJHFGTLOW-CMPLNLGQSA-N 0 3 250.367 2.455 10 0 CEAEHN CNCc1cccc(OC)c1OCc1ccccn1 ZINC000035413545 172185982 /nfs/dbraw/zinc/18/59/82/172185982.db2.gz JQKOTCBFZRQIFW-UHFFFAOYSA-N 0 3 258.321 2.389 10 0 CEAEHN CNCc1c(N2CCC[C@@H](C)C2)nc2sccn12 ZINC000035429685 172198299 /nfs/dbraw/zinc/19/82/99/172198299.db2.gz FLVGDDVXINRIQV-SNVBAGLBSA-N 0 3 264.398 2.352 10 0 CEAEHN CN[C@@H](c1cnn(C)c1)c1ccc(Br)cc1 ZINC000035500324 172234049 /nfs/dbraw/zinc/23/40/49/172234049.db2.gz UAILBYUYTNWEHF-GFCCVEGCSA-N 0 3 280.169 2.491 10 0 CEAEHN CCC(CC)NS(=O)(=O)c1cccc([C@@H](C)NC)c1 ZINC000035632909 172316533 /nfs/dbraw/zinc/31/65/33/172316533.db2.gz LPSLJJQVRYHJBJ-LLVKDONJSA-N 0 3 284.425 2.434 10 0 CEAEHN C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)c1cccs1 ZINC000035736837 172389999 /nfs/dbraw/zinc/38/99/99/172389999.db2.gz CZYVZORSEYHVDA-DGCLKSJQSA-N 0 3 274.389 2.495 10 0 CEAEHN CN[C@H]1CCS(=O)(=O)c2ccc(C(C)C)cc21 ZINC000035762588 172401894 /nfs/dbraw/zinc/40/18/94/172401894.db2.gz CBWQHJPXJFWLAE-LBPRGKRZSA-N 0 3 253.367 2.248 10 0 CEAEHN CCCN(CC)S(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000037095381 172949317 /nfs/dbraw/zinc/94/93/17/172949317.db2.gz GKGFQCLNHQJWMO-LLVKDONJSA-N 0 3 270.398 2.127 10 0 CEAEHN COc1ccccc1[C@H](CN)N(C)[C@H]1CCSC1 ZINC000037174489 173008456 /nfs/dbraw/zinc/00/84/56/173008456.db2.gz JQXUFEJZTNVFQB-AAEUAGOBSA-N 0 3 266.410 2.132 10 0 CEAEHN CCCC[C@H](NCC(=O)NC)c1ccc(F)cc1 ZINC000037224701 173044652 /nfs/dbraw/zinc/04/46/52/173044652.db2.gz NLNFRWBMDFJGBW-ZDUSSCGKSA-N 0 3 252.333 2.393 10 0 CEAEHN CC(C)NCc1cc(Cl)ccc1OC[C@H](C)C(N)=O ZINC000037226838 173047457 /nfs/dbraw/zinc/04/74/57/173047457.db2.gz QQBARJYBAUAZHM-JTQLQIEISA-N 0 3 284.787 2.338 10 0 CEAEHN COC(=O)CCN[C@H](C)c1ccc(C)cc1OC ZINC000037252213 173064740 /nfs/dbraw/zinc/06/47/40/173064740.db2.gz VOMFFJZUZGBROQ-LLVKDONJSA-N 0 3 251.326 2.217 10 0 CEAEHN CC(C)C[C@@H](C)NCc1cc(C(N)=O)ccc1F ZINC000037264868 173073378 /nfs/dbraw/zinc/07/33/78/173073378.db2.gz XBIXEQPKVBEHLV-SNVBAGLBSA-N 0 3 252.333 2.449 10 0 CEAEHN CC(C)C[C@H](C)NCc1nc2ccccc2c(=O)[nH]1 ZINC000037264725 173073500 /nfs/dbraw/zinc/07/35/00/173073500.db2.gz KGUWSJHENUHGKU-NSHDSACASA-N 0 3 259.353 2.447 10 0 CEAEHN Nc1ccc(CN2CCSCC2)c2ncccc12 ZINC000037272965 173084645 /nfs/dbraw/zinc/08/46/45/173084645.db2.gz LQABMPLVZCMHJQ-UHFFFAOYSA-N 0 3 259.378 2.366 10 0 CEAEHN O=C(CNC1CCCC1)Nc1cc(F)cc(F)c1 ZINC000037395443 173176074 /nfs/dbraw/zinc/17/60/74/173176074.db2.gz ZHDAFIBQVGCCQQ-UHFFFAOYSA-N 0 3 254.280 2.436 10 0 CEAEHN COc1cc(CN[C@H](C)[C@H]2CCCO2)cc2c1OCCO2 ZINC000037408439 173185198 /nfs/dbraw/zinc/18/51/98/173185198.db2.gz AEBAYTIAMJWCIG-DGCLKSJQSA-N 0 3 293.363 2.124 10 0 CEAEHN CC[C@@H](C)N[C@]1(C(N)=O)CCSc2ccccc21 ZINC000038065300 174075882 /nfs/dbraw/zinc/07/58/82/174075882.db2.gz XIKFQQQAZUDMCG-QMTHXVAHSA-N 0 3 264.394 2.251 10 0 CEAEHN COc1ccc2c(c1)[C@@H](NC[C@@H](C)N(C)C)CCO2 ZINC000038087432 174099278 /nfs/dbraw/zinc/09/92/78/174099278.db2.gz FZHITJRFCFOYQA-RISCZKNCSA-N 0 3 264.369 2.059 10 0 CEAEHN CNCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040414467 174255513 /nfs/dbraw/zinc/25/55/13/174255513.db2.gz AVFOWYZBEXIJEN-SSDOTTSWSA-N 0 3 261.152 2.390 10 0 CEAEHN CCN1CCC[C@@H]1CNc1nc(C)cc(C)c1C(N)=S ZINC000040510112 174304326 /nfs/dbraw/zinc/30/43/26/174304326.db2.gz KZUVUVWFILDUHC-GFCCVEGCSA-N 0 3 292.452 2.229 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519100 174308364 /nfs/dbraw/zinc/30/83/64/174308364.db2.gz UQULMPPOCQELNV-WPRPVWTQSA-N 0 3 255.387 2.065 10 0 CEAEHN COc1ccccc1-c1c[nH]c([C@H]2C[C@H](OC)CN2)n1 ZINC000040637916 174362624 /nfs/dbraw/zinc/36/26/24/174362624.db2.gz RXDTYRTXYBFVET-CMPLNLGQSA-N 0 3 273.336 2.135 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2c(F)cccc2F)CC1 ZINC000040689127 174375817 /nfs/dbraw/zinc/37/58/17/174375817.db2.gz DZECWLXAMSIOFN-AWEZNQCLSA-N 0 3 284.350 2.466 10 0 CEAEHN CCc1c(C)nn(CC(=O)Nc2ccccc2CN)c1C ZINC000040731797 174388684 /nfs/dbraw/zinc/38/86/84/174388684.db2.gz FUOJNMKRBUEVKZ-UHFFFAOYSA-N 0 3 286.379 2.160 10 0 CEAEHN CCOC(=O)c1c(C2CC2)csc1NC(=O)C(C)(C)N ZINC000040925421 174435305 /nfs/dbraw/zinc/43/53/05/174435305.db2.gz SHCQUBKZQJTUQM-UHFFFAOYSA-N 0 3 296.392 2.478 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(Cc2ccnc3ccccc23)C1 ZINC000401700598 414753185 /nfs/dbraw/zinc/75/31/85/414753185.db2.gz NKXRGBXZKMVSDD-TZMCWYRMSA-N 0 3 256.349 2.438 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400191356 414747746 /nfs/dbraw/zinc/74/77/46/414747746.db2.gz ZVNLOVBKKRZUBJ-YOMYCBHVSA-N 0 3 252.402 2.302 10 0 CEAEHN O[C@@H]1C[C@H](NCc2cccc(C3CC3)c2)[C@H]1n1cccn1 ZINC000657516184 414985624 /nfs/dbraw/zinc/98/56/24/414985624.db2.gz BKXMOMZBTZMNOV-GVDBMIGSSA-N 0 3 283.375 2.225 10 0 CEAEHN O[C@@H]1C[C@H](NCc2ccc(C3CC3)cc2)[C@H]1n1cccn1 ZINC000657517205 414986728 /nfs/dbraw/zinc/98/67/28/414986728.db2.gz UDBXYPLAVXSIFH-GVDBMIGSSA-N 0 3 283.375 2.225 10 0 CEAEHN OCC1CC(NCc2ccccc2OC(F)(F)F)C1 ZINC000657809496 415088394 /nfs/dbraw/zinc/08/83/94/415088394.db2.gz YXZOVUSOCWZQGW-UHFFFAOYSA-N 0 3 275.270 2.446 10 0 CEAEHN Cc1ncc(CNC2CC(CO)C2)n1-c1ccccc1 ZINC000657812072 415089561 /nfs/dbraw/zinc/08/95/61/415089561.db2.gz FNUSUTKPTBMGMP-UHFFFAOYSA-N 0 3 271.364 2.041 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300810 175001742 /nfs/dbraw/zinc/00/17/42/175001742.db2.gz BAADVFPLMYDXKI-RNCFNFMXSA-N 0 3 289.347 2.050 10 0 CEAEHN CCN[C@@H](c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301040 175002143 /nfs/dbraw/zinc/00/21/43/175002143.db2.gz LLBKZBYUAXVOAB-CABCVRRESA-N 0 3 281.421 2.389 10 0 CEAEHN C[C@@H](N)[C@H](Oc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337396 175012747 /nfs/dbraw/zinc/01/27/47/175012747.db2.gz BIAKIBKSKBWCEB-OTYXRUKQSA-N 0 3 261.277 2.476 10 0 CEAEHN NC[C@@H](Oc1ccc(F)cc1F)c1cccnc1 ZINC000043349192 175019118 /nfs/dbraw/zinc/01/91/18/175019118.db2.gz GSNDEUOFXCTVID-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN Cc1ncsc1CCO[C@H](CN)c1ccncc1 ZINC000043355730 175023197 /nfs/dbraw/zinc/02/31/97/175023197.db2.gz JVCVCPMKYPSFSE-GFCCVEGCSA-N 0 3 263.366 2.106 10 0 CEAEHN NC[C@H](Oc1ccc(F)cc1F)c1ccncc1 ZINC000043355121 175023230 /nfs/dbraw/zinc/02/32/30/175023230.db2.gz HOOMGVBROHQAPX-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN OC[C@H](NC[C@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391485 175034240 /nfs/dbraw/zinc/03/42/40/175034240.db2.gz WHDJQHYGRHGBTG-MFKMUULPSA-N 0 3 273.735 2.281 10 0 CEAEHN CN[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cc(C)ccc1OC ZINC000043811399 175110429 /nfs/dbraw/zinc/11/04/29/175110429.db2.gz CVWQCAUUDQBRFF-IJEWVQPXSA-N 0 3 292.423 2.373 10 0 CEAEHN CN[C@@H](CN(C)C(C)C)c1ccc2c(c1)OCCO2 ZINC000043813121 175111342 /nfs/dbraw/zinc/11/13/42/175111342.db2.gz MLFRXJVPSPIKOF-ZDUSSCGKSA-N 0 3 264.369 2.059 10 0 CEAEHN CCN[C@@H](CN(C)C1CC1)c1ccc(OC)cc1OC ZINC000043823003 175114350 /nfs/dbraw/zinc/11/43/50/175114350.db2.gz WIIKULFGPQADRI-HNNXBMFYSA-N 0 3 278.396 2.449 10 0 CEAEHN CN[C@@H](CN(C)C1CC1)c1ccc(OC)cc1OC ZINC000043822462 175114648 /nfs/dbraw/zinc/11/46/48/175114648.db2.gz ZERIZYPQKUVQSS-AWEZNQCLSA-N 0 3 264.369 2.059 10 0 CEAEHN CN[C@@H](CN(C)Cc1cccnc1)c1ccccc1OC ZINC000043893412 175118897 /nfs/dbraw/zinc/11/88/97/175118897.db2.gz YSQZBSCIXMBYOI-INIZCTEOSA-N 0 3 285.391 2.483 10 0 CEAEHN CN[C@H](CN(C)C1CCOCC1)c1ccccc1OC ZINC000043898142 175121461 /nfs/dbraw/zinc/12/14/61/175121461.db2.gz ZBUPQGRAVZCQQO-OAHLLOKOSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOC1CCN([C@@H]2COc3ccccc3[C@H]2NC)CC1 ZINC000043907138 175123348 /nfs/dbraw/zinc/12/33/48/175123348.db2.gz LRZJBQAOUALSAS-NVXWUHKLSA-N 0 3 290.407 2.209 10 0 CEAEHN CCCN(C(=O)[C@@H](CN)Cc1ccccc1)C(C)C ZINC000044800480 175255421 /nfs/dbraw/zinc/25/54/21/175255421.db2.gz XOZVVKRYLQZPGE-OAHLLOKOSA-N 0 3 262.397 2.451 10 0 CEAEHN CC(C)[C@H](C)N(C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044802002 175255478 /nfs/dbraw/zinc/25/54/78/175255478.db2.gz VUFYFWTTYVLUGK-DZGCQCFKSA-N 0 3 262.397 2.307 10 0 CEAEHN CC(C)C[C@@H](C)NC(=O)[C@@H](CN)Cc1ccccc1 ZINC000044800914 175255506 /nfs/dbraw/zinc/25/55/06/175255506.db2.gz RALUCLGIHUBSCN-UKRRQHHQSA-N 0 3 262.397 2.355 10 0 CEAEHN C[C@H](C1CC1)N(C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044801958 175255612 /nfs/dbraw/zinc/25/56/12/175255612.db2.gz LNFARKGXALDPKJ-IUODEOHRSA-N 0 3 260.381 2.061 10 0 CEAEHN CCC[C@H](C)N(C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044802068 175255638 /nfs/dbraw/zinc/25/56/38/175255638.db2.gz NNEZEQLWFWSNOP-DZGCQCFKSA-N 0 3 262.397 2.451 10 0 CEAEHN C[C@@H](CNCc1nccn1C(F)F)N1CCCCC1 ZINC000044993378 175286984 /nfs/dbraw/zinc/28/69/84/175286984.db2.gz XUGCJACNSSFGLB-NSHDSACASA-N 0 3 272.343 2.242 10 0 CEAEHN CC(C)C[C@@H]1CSC(NCCc2nccn2C)=N1 ZINC000045136085 175313252 /nfs/dbraw/zinc/31/32/52/175313252.db2.gz YICNPLVWGJWKPC-LLVKDONJSA-N 0 3 266.414 2.070 10 0 CEAEHN CCCCN(CC)C[C@](NCC)(C(N)=O)c1ccccc1 ZINC000045223226 175331448 /nfs/dbraw/zinc/33/14/48/175331448.db2.gz QVAZSHWLXJEUFZ-QGZVFWFLSA-N 0 3 291.439 2.099 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(C)C1CCCCC1)C(=O)[O-] ZINC000045231226 175335115 /nfs/dbraw/zinc/33/51/15/175335115.db2.gz XBOFGZGFFJVNSY-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231226 175335117 /nfs/dbraw/zinc/33/51/17/175335117.db2.gz XBOFGZGFFJVNSY-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231226 175335118 /nfs/dbraw/zinc/33/51/18/175335118.db2.gz XBOFGZGFFJVNSY-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CCN[C@@](C)(CN1CCCC[C@@H]1CC)C(=O)OCC ZINC000045265840 175339257 /nfs/dbraw/zinc/33/92/57/175339257.db2.gz TUARSLOUMDSFEZ-ZFWWWQNUSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN(C[C@@](N)(C(=O)OCC)c1ccccc1)C1CC1 ZINC000045267781 175340135 /nfs/dbraw/zinc/34/01/35/175340135.db2.gz QVHUIJIJYUXWEX-KRWDZBQOSA-N 0 3 290.407 2.278 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)NC ZINC000045272071 175343389 /nfs/dbraw/zinc/34/33/89/175343389.db2.gz ZXVJVGFGOROCEY-LZWOXQAQSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCCN(C[C@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045276243 175346377 /nfs/dbraw/zinc/34/63/77/175346377.db2.gz BQKCATGTHPWTLP-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCCN(CC)C[C@H](NC(C)C)C(=O)OCC ZINC000045370329 175363477 /nfs/dbraw/zinc/36/34/77/175363477.db2.gz HYXSCESUCLEEND-ZDUSSCGKSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCN[C@H](CN(CCC)CCC)C(=O)OCC ZINC000045378452 175367380 /nfs/dbraw/zinc/36/73/80/175367380.db2.gz FPKDTWXIZUNPHC-CYBMUJFWSA-N 0 3 258.406 2.040 10 0 CEAEHN CCOC(=O)[C@H](CN1CCC[C@@H](CC)C1)NC(C)C ZINC000045393257 175376427 /nfs/dbraw/zinc/37/64/27/175376427.db2.gz VXUIAEWSWHGAGP-KGLIPLIRSA-N 0 3 270.417 2.038 10 0 CEAEHN C[C@@H](NC[C@H]1CC(=O)N(C)C1)c1ccccc1Cl ZINC000658243735 415278308 /nfs/dbraw/zinc/27/83/08/415278308.db2.gz GGGVJTAJFQBUDN-GHMZBOCLSA-N 0 3 266.772 2.469 10 0 CEAEHN CCCc1nccn1[C@H]1COc2ccccc2[C@@H]1N ZINC000070423791 175920868 /nfs/dbraw/zinc/92/08/68/175920868.db2.gz XIJKSDGQLDMZHJ-WFASDCNBSA-N 0 3 257.337 2.469 10 0 CEAEHN CCCNCc1cc2c(cc1O[C@H]1CCOC1)OCO2 ZINC000070543079 175978076 /nfs/dbraw/zinc/97/80/76/175978076.db2.gz NMTBJJNDRJIHBG-LBPRGKRZSA-N 0 3 279.336 2.083 10 0 CEAEHN CCCN(CC(F)(F)F)c1nc(CN)cs1 ZINC000070682268 176001602 /nfs/dbraw/zinc/00/16/02/176001602.db2.gz UZPLKYOTEACYNB-UHFFFAOYSA-N 0 3 253.293 2.381 10 0 CEAEHN CNCc1ccnn1Cc1sccc1Br ZINC000070708839 176002730 /nfs/dbraw/zinc/00/27/30/176002730.db2.gz PAZATDIANNOJLK-UHFFFAOYSA-N 0 3 286.198 2.475 10 0 CEAEHN CCc1ccc([C@H]2[C@H](N)CCC(=O)N2C2CC2)s1 ZINC000070987203 176018513 /nfs/dbraw/zinc/01/85/13/176018513.db2.gz JNHBMTKHOWVMHI-BXUZGUMPSA-N 0 3 264.394 2.464 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1cccc(F)c1F ZINC000070987549 176018697 /nfs/dbraw/zinc/01/86/97/176018697.db2.gz BQYQVDHAGYKEEA-FZMZJTMJSA-N 0 3 266.291 2.118 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2ccc(OC(F)F)cc2)C1=O ZINC000071039446 176027119 /nfs/dbraw/zinc/02/71/19/176027119.db2.gz MSSSVVANTGGRGR-GFCCVEGCSA-N 0 3 284.306 2.391 10 0 CEAEHN C[C@H](Cc1cccs1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071043842 176029609 /nfs/dbraw/zinc/02/96/09/176029609.db2.gz ADJPGVBMMQLLPY-BXUZGUMPSA-N 0 3 278.421 2.422 10 0 CEAEHN CN[C@H]1CCCN(c2ccc(C)c(Br)c2)C1=O ZINC000071043644 176030029 /nfs/dbraw/zinc/03/00/29/176030029.db2.gz UXFLBXQELBTPMF-LBPRGKRZSA-N 0 3 297.196 2.472 10 0 CEAEHN CC(C)(C)c1ccccc1NS(=O)(=O)[C@@H]1CCCNC1 ZINC000071174649 176054164 /nfs/dbraw/zinc/05/41/64/176054164.db2.gz BIGYYQXCHVBKIK-GFCCVEGCSA-N 0 3 296.436 2.478 10 0 CEAEHN NCc1cnc(N(Cc2ccsc2)C2CC2)cn1 ZINC000071177896 176055783 /nfs/dbraw/zinc/05/57/83/176055783.db2.gz GBBUPAVMTLKTJG-UHFFFAOYSA-N 0 3 260.366 2.166 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)c1ccc(F)cc1C=O ZINC000071189475 176064141 /nfs/dbraw/zinc/06/41/41/176064141.db2.gz AYTPIPPMQRRSDW-NSHDSACASA-N 0 3 250.317 2.026 10 0 CEAEHN CC(=O)c1c(F)cccc1N(C)C[C@@H]1CCN(C)C1 ZINC000071189374 176065051 /nfs/dbraw/zinc/06/50/51/176065051.db2.gz XYSNJHQDRPGDIR-GFCCVEGCSA-N 0 3 264.344 2.416 10 0 CEAEHN C[C@H](Cn1ccnc1)N1Cc2ccc(F)cc2C1=N ZINC000071268929 176102913 /nfs/dbraw/zinc/10/29/13/176102913.db2.gz QPFYONOXVLEXJW-SNVBAGLBSA-N 0 3 258.300 2.252 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@@H](N[C@@H](C)Cc2cccs2)C1=O ZINC000071269475 176103278 /nfs/dbraw/zinc/10/32/78/176103278.db2.gz OSUIXTGYISXONT-DMDPSCGWSA-N 0 3 294.420 2.195 10 0 CEAEHN COc1ccc(OC)c([C@@H]2CNC[C@@H](C3CC3)O2)c1 ZINC000071308635 176116171 /nfs/dbraw/zinc/11/61/71/176116171.db2.gz LJALLVFLBRDTAS-GJZGRUSLSA-N 0 3 263.337 2.143 10 0 CEAEHN CC(C)(C)c1ccc(CN2CCCN(CCO)CC2)cc1 ZINC000071350132 176133294 /nfs/dbraw/zinc/13/32/94/176133294.db2.gz OJEPGDOBTIZZFW-UHFFFAOYSA-N 0 3 290.451 2.484 10 0 CEAEHN CN1CCC(OC(=O)c2ccc(N)c(Cl)c2)CC1 ZINC000071392736 176149338 /nfs/dbraw/zinc/14/93/38/176149338.db2.gz JLOVKCJLJKLOSM-UHFFFAOYSA-N 0 3 268.744 2.173 10 0 CEAEHN CCCCNC(=O)COc1ccc(C)cc1CNC ZINC000071403497 176154718 /nfs/dbraw/zinc/15/47/18/176154718.db2.gz NXNNUAVBWIHBOA-UHFFFAOYSA-N 0 3 264.369 2.010 10 0 CEAEHN CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1CN ZINC000071403375 176155040 /nfs/dbraw/zinc/15/50/40/176155040.db2.gz SNDDMPUXBSGOTH-RYUDHWBXSA-N 0 3 264.369 2.136 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@@H]1CCCCNC1=O ZINC000071406126 176155923 /nfs/dbraw/zinc/15/59/23/176155923.db2.gz NGTLVPNYSQPLBA-OAHLLOKOSA-N 0 3 276.380 2.152 10 0 CEAEHN COc1ccc2c(ccn(CCN3CCCC3)c2=O)c1 ZINC000071503222 176192804 /nfs/dbraw/zinc/19/28/04/176192804.db2.gz CCMIRKKJPCIWRQ-UHFFFAOYSA-N 0 3 272.348 2.106 10 0 CEAEHN CN1CCNC[C@H]1c1cc(Br)cs1 ZINC000071587280 176214844 /nfs/dbraw/zinc/21/48/44/176214844.db2.gz NJUBWFJKOMLQQB-QMMMGPOBSA-N 0 3 261.188 2.087 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(C2CCC2)CC1 ZINC000662633232 415913539 /nfs/dbraw/zinc/91/35/39/415913539.db2.gz YBYZKEUFOHSYSQ-SMDDNHRTSA-N 0 3 252.402 2.399 10 0 CEAEHN CC1(C)COC[C@]2(CCN(Cc3ccccc3)C2)N1 ZINC000076698256 177061522 /nfs/dbraw/zinc/06/15/22/177061522.db2.gz IRSHKBSCPOBWHA-MRXNPFEDSA-N 0 3 260.381 2.030 10 0 CEAEHN CC[C@@H](NC[C@H]1CN(CC)CCO1)c1ccccc1 ZINC000078516247 177348823 /nfs/dbraw/zinc/34/88/23/177348823.db2.gz FVKWZGUSSJRCMD-JKSUJKDBSA-N 0 3 262.397 2.448 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CSc1ccncc1 ZINC000078615118 177360188 /nfs/dbraw/zinc/36/01/88/177360188.db2.gz PRIJCUVNPQSDRV-CYBMUJFWSA-N 0 3 295.452 2.266 10 0 CEAEHN [NH3+]Cc1cc(=O)[n-]c(C2(c3ccccc3)CCCC2)n1 ZINC000079939450 177584101 /nfs/dbraw/zinc/58/41/01/177584101.db2.gz VTIJIABSIUKOLG-UHFFFAOYSA-N 0 3 269.348 2.089 10 0 CEAEHN NCc1[nH]nc2cc(Cl)cc(Br)c21 ZINC000299888900 419473431 /nfs/dbraw/zinc/47/34/31/419473431.db2.gz AGZSTXUIWAGWDE-UHFFFAOYSA-N 0 3 260.522 2.438 10 0 CEAEHN C[C@H]1CC[C@H](O)CN1CCOc1ccccc1F ZINC000399170247 270367121 /nfs/dbraw/zinc/36/71/21/270367121.db2.gz CHFNWNZZTNHSCF-RYUDHWBXSA-N 0 3 253.317 2.050 10 0 CEAEHN COc1c(C)cnc(CN(C)[C@@H]2CCC[C@@H]2O)c1C ZINC000352667472 274087908 /nfs/dbraw/zinc/08/79/08/274087908.db2.gz KOTKLQQPRPRGSH-KGLIPLIRSA-N 0 3 264.369 2.052 10 0 CEAEHN C[C@@H](O)CN1CCN(CCSc2ccccc2)C[C@H]1C ZINC000117879921 274269401 /nfs/dbraw/zinc/26/94/01/274269401.db2.gz KIGFEWQDOHKEJB-HUUCEWRRSA-N 0 3 294.464 2.166 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000223995037 276043258 /nfs/dbraw/zinc/04/32/58/276043258.db2.gz BXRYVVGBDZCTFV-UTLUCORTSA-N 0 3 266.307 2.351 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000263524155 276087543 /nfs/dbraw/zinc/08/75/43/276087543.db2.gz SMPUFNBBDRXKHC-ZUJMUWTESA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@@H]2CCC[C@H](C)C2)C1 ZINC000263524155 276087544 /nfs/dbraw/zinc/08/75/44/276087544.db2.gz SMPUFNBBDRXKHC-ZUJMUWTESA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@@H]2CCC[C@H](C)C2)C1 ZINC000263524155 276087545 /nfs/dbraw/zinc/08/75/45/276087545.db2.gz SMPUFNBBDRXKHC-ZUJMUWTESA-N 0 3 282.428 2.340 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000177437583 276368874 /nfs/dbraw/zinc/36/88/74/276368874.db2.gz KIAXSCRQAQBROU-CHWSQXEVSA-N 0 3 267.417 2.349 10 0 CEAEHN COC[C@H](C)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000173691755 293015892 /nfs/dbraw/zinc/01/58/92/293015892.db2.gz GWWFZLHLWBJQMY-KBPBESRZSA-N 0 3 298.452 2.088 10 0 CEAEHN CN1CCO[C@@H](CN[C@@H]2CCc3c2cccc3Cl)C1 ZINC000153039240 277119670 /nfs/dbraw/zinc/11/96/70/277119670.db2.gz BYFMXRXMBVOZST-XHDPSFHLSA-N 0 3 280.799 2.248 10 0 CEAEHN CSC[C@@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000131539112 277512832 /nfs/dbraw/zinc/51/28/32/277512832.db2.gz IPHQCJKCTGCSMR-ZYHUDNBSSA-N 0 3 264.394 2.435 10 0 CEAEHN CC(F)(F)CCN1CCS[C@@H]2COCC[C@H]21 ZINC000334605792 278160786 /nfs/dbraw/zinc/16/07/86/278160786.db2.gz JZRATKBUGHNVEY-NXEZZACHSA-N 0 3 251.342 2.238 10 0 CEAEHN CC1(C)CCCN[C@@H]1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000232802442 278220607 /nfs/dbraw/zinc/22/06/07/278220607.db2.gz HZNWSUXLMAHFKX-JHJVBQTASA-N 0 3 250.386 2.023 10 0 CEAEHN CC(C)(C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1F ZINC000171587070 278264472 /nfs/dbraw/zinc/26/44/72/278264472.db2.gz HWPBZDYJOJEKAX-ZDUSSCGKSA-N 0 3 290.382 2.410 10 0 CEAEHN C[C@@H](N)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000037042892 278304424 /nfs/dbraw/zinc/30/44/24/278304424.db2.gz PEQWXZBXIBNDNI-HTQZYQBOSA-N 0 3 260.259 2.230 10 0 CEAEHN C[C@H]1CCCC[C@@H]1C[NH+]1CCC(N(C)CC(=O)[O-])CC1 ZINC000263520747 278334363 /nfs/dbraw/zinc/33/43/63/278334363.db2.gz QUBDPAKUGNIOAB-UONOGXRCSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@H]1CCCC[C@@H]1CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263520747 278334366 /nfs/dbraw/zinc/33/43/66/278334366.db2.gz QUBDPAKUGNIOAB-UONOGXRCSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@H]1CCCC[C@@H]1CN1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000263520747 278334367 /nfs/dbraw/zinc/33/43/67/278334367.db2.gz QUBDPAKUGNIOAB-UONOGXRCSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@H]1CCC[C@H](CN2CCC([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524420 278351925 /nfs/dbraw/zinc/35/19/25/278351925.db2.gz SPEXVVXINZSDJD-KBPBESRZSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@H]1CCC[C@H](CN2CCC([N@@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524420 278351926 /nfs/dbraw/zinc/35/19/26/278351926.db2.gz SPEXVVXINZSDJD-KBPBESRZSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@H]1CCC[C@H](C[NH+]2CCC(N(C)CC(=O)[O-])CC2)C1 ZINC000263524420 278351928 /nfs/dbraw/zinc/35/19/28/278351928.db2.gz SPEXVVXINZSDJD-KBPBESRZSA-N 0 3 282.428 2.294 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N(C)C ZINC000252735895 278922928 /nfs/dbraw/zinc/92/29/28/278922928.db2.gz RZUNSTMQLSIINQ-KBUPBQIOSA-N 0 3 294.439 2.181 10 0 CEAEHN CC(C)C[C@H](C)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263570920 279094012 /nfs/dbraw/zinc/09/40/12/279094012.db2.gz ITTAKEQEZINWDX-ZDUSSCGKSA-N 0 3 270.417 2.149 10 0 CEAEHN CC(C)C[C@H](C)CN1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000263570920 279094014 /nfs/dbraw/zinc/09/40/14/279094014.db2.gz ITTAKEQEZINWDX-ZDUSSCGKSA-N 0 3 270.417 2.149 10 0 CEAEHN CC(C)C[C@H](C)C[NH+]1CCC(N(C)CC(=O)[O-])CC1 ZINC000263570920 279094016 /nfs/dbraw/zinc/09/40/16/279094016.db2.gz ITTAKEQEZINWDX-ZDUSSCGKSA-N 0 3 270.417 2.149 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000246679108 279124858 /nfs/dbraw/zinc/12/48/58/279124858.db2.gz DDDGOKCTWUMSTQ-HZSPNIEDSA-N 0 3 269.433 2.403 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245438842 279300547 /nfs/dbraw/zinc/30/05/47/279300547.db2.gz YPKPDYKWQINBLX-KBXIAJHMSA-N 0 3 264.413 2.365 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)cn1 ZINC000282502181 279532793 /nfs/dbraw/zinc/53/27/93/279532793.db2.gz YGFQWAKPYMQECL-SBMIAAHKSA-N 0 3 267.760 2.053 10 0 CEAEHN COc1ccc([C@H](C)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000189078367 280142842 /nfs/dbraw/zinc/14/28/42/280142842.db2.gz LRXMJRYTUUPZPN-CHWSQXEVSA-N 0 3 276.380 2.009 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000173330076 280217474 /nfs/dbraw/zinc/21/74/74/280217474.db2.gz DUCLCKTWUQWNOR-RWMBFGLXSA-N 0 3 255.406 2.155 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H]1CCCO[C@H]1C(C)C)N(C)C ZINC000245769378 280260416 /nfs/dbraw/zinc/26/04/16/280260416.db2.gz KDUHTDLIOARKRV-KFWWJZLASA-N 0 3 284.444 2.284 10 0 CEAEHN CC(C)[C@H](CO)CN[C@H](C)c1nc2ccccc2n1C ZINC000348295608 280260534 /nfs/dbraw/zinc/26/05/34/280260534.db2.gz UHIZPQCCVMXWQW-OLZOCXBDSA-N 0 3 275.396 2.488 10 0 CEAEHN CC(C)CSCCCN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246585011 280302268 /nfs/dbraw/zinc/30/22/68/280302268.db2.gz GHHBWMIXPHWHPF-CABCVRRESA-N 0 3 288.501 2.153 10 0 CEAEHN CSC[C@@H]1CCCN1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246602345 280302962 /nfs/dbraw/zinc/30/29/62/280302962.db2.gz DDPNPNFLTGYDEQ-HZSPNIEDSA-N 0 3 299.484 2.252 10 0 CEAEHN COC(=O)[C@@H]1CCCN(CCc2ccc(F)c(F)c2)C1 ZINC000152025954 289074783 /nfs/dbraw/zinc/07/47/83/289074783.db2.gz MUCNZKVODTZNRW-GFCCVEGCSA-N 0 3 283.318 2.392 10 0 CEAEHN CC(C)N1CCCC[C@H]1C(=O)N1CCCSCC1 ZINC000155800504 289183004 /nfs/dbraw/zinc/18/30/04/289183004.db2.gz QIORLSXBQVTPOV-ZDUSSCGKSA-N 0 3 270.442 2.215 10 0 CEAEHN CC1CCC(CN2CCO[C@@H](CN(C)C)C2)CC1 ZINC000156650200 289200043 /nfs/dbraw/zinc/20/00/43/289200043.db2.gz XZPXXDWXPYJYGA-NRXISQOPSA-N 0 3 254.418 2.075 10 0 CEAEHN CCC[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)N(C)C ZINC000157966469 289225780 /nfs/dbraw/zinc/22/57/80/289225780.db2.gz FBHLPKCEOYLARH-INIZCTEOSA-N 0 3 295.471 2.194 10 0 CEAEHN CN1CC[C@](O)(c2ccccc2CO)[C@H](c2ccccc2)C1 ZINC000066354570 290245959 /nfs/dbraw/zinc/24/59/59/290245959.db2.gz VEFVMTWOCWGCAI-OALUTQOASA-N 0 3 297.398 2.486 10 0 CEAEHN NC1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000037616676 295204655 /nfs/dbraw/zinc/20/46/55/295204655.db2.gz CPIJHHYXXUEDJR-UWVGGRQHSA-N 0 3 278.318 2.495 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000253280026 297571554 /nfs/dbraw/zinc/57/15/54/297571554.db2.gz UECXMTHYQKOUCD-HRCADAONSA-N 0 3 294.439 2.278 10 0 CEAEHN COCCNC[C@H](O)c1c(Cl)cccc1Cl ZINC000055030589 523943169 /nfs/dbraw/zinc/94/31/69/523943169.db2.gz JSNCJABCLURXBR-JTQLQIEISA-N 0 3 264.152 2.263 10 0 CEAEHN NC[C@@H](C(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000178566384 303391163 /nfs/dbraw/zinc/39/11/63/303391163.db2.gz RYRXBUBGWJROLP-OWCLPIDISA-N 0 3 272.392 2.378 10 0 CEAEHN C[C@@H]1CCCN([C@H]2CNC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960846 330384275 /nfs/dbraw/zinc/38/42/75/330384275.db2.gz UEYACEUEEIQLQV-MGPQQGTHSA-N 0 3 282.428 2.038 10 0 CEAEHN CC(C)OCCOCc1occc1CNC1CC1 ZINC000052627245 519768902 /nfs/dbraw/zinc/76/89/02/519768902.db2.gz ZXFPJNPYVIDEQD-UHFFFAOYSA-N 0 3 253.342 2.473 10 0 CEAEHN CC(C)[C@@H](CN(C)C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601166 519793234 /nfs/dbraw/zinc/79/32/34/519793234.db2.gz FBRHDKXILJQAMG-VNHYZAJKSA-N 0 3 252.402 2.159 10 0 CEAEHN CCC1CC[NH+]([C@H](C)C[C@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000068638252 519859573 /nfs/dbraw/zinc/85/95/73/519859573.db2.gz OQBIBDMGWHNFAI-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN CCC1CCN([C@H](C)C[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000068638252 519859574 /nfs/dbraw/zinc/85/95/74/519859574.db2.gz OQBIBDMGWHNFAI-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN CCCC1CCN(CC[C@H](NCC)C(=O)OCC)CC1 ZINC000062531025 519901691 /nfs/dbraw/zinc/90/16/91/519901691.db2.gz MJJUMSDFBDDYMI-HNNXBMFYSA-N 0 3 284.444 2.430 10 0 CEAEHN CCNCc1cc(C)ccc1OCCC(=O)OC ZINC000069317729 519985538 /nfs/dbraw/zinc/98/55/38/519985538.db2.gz WPLDORRBOADVPU-UHFFFAOYSA-N 0 3 251.326 2.046 10 0 CEAEHN CCNCc1cc(C)nc(Cc2nc(C)cs2)n1 ZINC000055269943 519986909 /nfs/dbraw/zinc/98/69/09/519986909.db2.gz IASHDEKZVAZVPL-UHFFFAOYSA-N 0 3 262.382 2.250 10 0 CEAEHN CCNCc1cnc(N2CCC(OCC)CC2)s1 ZINC000054905814 520016351 /nfs/dbraw/zinc/01/63/51/520016351.db2.gz GQSHYEFHAQKDAE-UHFFFAOYSA-N 0 3 269.414 2.258 10 0 CEAEHN CCCN[C@H](Cc1cc(C)ccc1C)CS(C)(=O)=O ZINC000052789230 520086805 /nfs/dbraw/zinc/08/68/05/520086805.db2.gz MZAXCDIJUOKQIE-OAHLLOKOSA-N 0 3 283.437 2.259 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Sc1ccccc1OC)C(N)=O ZINC000068639791 520141466 /nfs/dbraw/zinc/14/14/66/520141466.db2.gz INBWCWIQTABXQB-ABAIWWIYSA-N 0 3 296.436 2.419 10 0 CEAEHN CCCCCN(C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069098397 520153281 /nfs/dbraw/zinc/15/32/81/520153281.db2.gz HCSRVMCSWLOKOV-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CC[N@H+](CC[C@@H](NC(C)C)C(=O)[O-])C1CCCC1 ZINC000062448526 521155451 /nfs/dbraw/zinc/15/54/51/521155451.db2.gz QVZQCQLYFGYKFM-CYBMUJFWSA-N 0 3 256.390 2.092 10 0 CEAEHN CC[N@@H+](CC[C@@H](NC(C)C)C(=O)[O-])C1CCCC1 ZINC000062448526 521155455 /nfs/dbraw/zinc/15/54/55/521155455.db2.gz QVZQCQLYFGYKFM-CYBMUJFWSA-N 0 3 256.390 2.092 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745299 521217278 /nfs/dbraw/zinc/21/72/78/521217278.db2.gz LUUTVVPYSMZDHY-IUCAKERBSA-N 0 3 255.289 2.176 10 0 CEAEHN CCCN(CC(=O)N(C)C)c1ccc(Cl)cc1CN ZINC000052857345 521531692 /nfs/dbraw/zinc/53/16/92/521531692.db2.gz IFBZPJPSZQTQIO-UHFFFAOYSA-N 0 3 283.803 2.103 10 0 CEAEHN CCCc1nc(N2CCC[C@@H]2CN(C)C)sc1CO ZINC000061655630 521532439 /nfs/dbraw/zinc/53/24/39/521532439.db2.gz BIAVEGMPCCXPRV-LLVKDONJSA-N 0 3 283.441 2.118 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC[C@H]2CC=CCC2)C1 ZINC000069208844 521621875 /nfs/dbraw/zinc/62/18/75/521621875.db2.gz LQDXTZDNLYOZFX-UONOGXRCSA-N 0 3 265.401 2.126 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000052792334 521822788 /nfs/dbraw/zinc/82/27/88/521822788.db2.gz VTNSZPVYLRQVLL-SWLSCSKDSA-N 0 3 278.396 2.351 10 0 CEAEHN CN[C@@H](C)c1cnc(Cc2csc(C)n2)nc1C ZINC000055296863 522337670 /nfs/dbraw/zinc/33/76/70/522337670.db2.gz UXHHLEIKHISUJG-QMMMGPOBSA-N 0 3 262.382 2.421 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OC[C@@H](O)C(F)(F)F ZINC000068877984 522446529 /nfs/dbraw/zinc/44/65/29/522446529.db2.gz FISPPVBKMPFHDI-RDDDGLTNSA-N 0 3 281.249 2.408 10 0 CEAEHN CC(C)(C)NC(=O)[C@H](CN)Cc1cccc2cccnc21 ZINC000069500510 518747791 /nfs/dbraw/zinc/74/77/91/518747791.db2.gz LJJRXZPVACVSCK-AWEZNQCLSA-N 0 3 285.391 2.267 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCc1ncc(Cl)n1C ZINC000049555915 519343122 /nfs/dbraw/zinc/34/31/22/519343122.db2.gz YUVPRPBOHOKCAZ-LLVKDONJSA-N 0 3 272.824 2.139 10 0 CEAEHN CC(C)C[C@H](CN(C)C)Nc1cc(C(N)=S)ccn1 ZINC000049560088 519343464 /nfs/dbraw/zinc/34/34/64/519343464.db2.gz UNIOOTGAATUSOK-GFCCVEGCSA-N 0 3 280.441 2.104 10 0 CEAEHN CC(C)C[C@H](CN(C)C)Nc1nnnn1-c1ccccc1 ZINC000049558262 519344140 /nfs/dbraw/zinc/34/41/40/519344140.db2.gz MEGLGLJGTDTFDH-CYBMUJFWSA-N 0 3 288.399 2.051 10 0 CEAEHN CC(C)N(CCO)Cc1cc2ccccc2nc1N ZINC000050817909 519649372 /nfs/dbraw/zinc/64/93/72/519649372.db2.gz YLGNFBJIQAKZHK-UHFFFAOYSA-N 0 3 259.353 2.020 10 0 CEAEHN CC(C)N1CCN(Cc2c3ccccc3oc2CN)CC1 ZINC000052480041 519682069 /nfs/dbraw/zinc/68/20/69/519682069.db2.gz VBBGWHHJRJALDD-UHFFFAOYSA-N 0 3 287.407 2.418 10 0 CEAEHN CC(C)CN1CCN(C[C@H]2CNc3ccccc3O2)CC1 ZINC000055083632 519726631 /nfs/dbraw/zinc/72/66/31/519726631.db2.gz DGICPZJYLIPNOP-OAHLLOKOSA-N 0 3 289.423 2.133 10 0 CEAEHN CC(C)N[C@@H](COc1ccc2ccccc2c1)C(N)=O ZINC000045519483 519735432 /nfs/dbraw/zinc/73/54/32/519735432.db2.gz IHKMGSHMQOPTGC-HNNXBMFYSA-N 0 3 272.348 2.071 10 0 CEAEHN CC(C)N[C@H](CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442994 519737950 /nfs/dbraw/zinc/73/79/50/519737950.db2.gz IBMFECXPPJCHEJ-CYBMUJFWSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)N[C@H](CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442994 519737951 /nfs/dbraw/zinc/73/79/51/519737951.db2.gz IBMFECXPPJCHEJ-CYBMUJFWSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)[NH2+][C@H](CCN(C)C1CCCCC1)C(=O)[O-] ZINC000062442994 519737953 /nfs/dbraw/zinc/73/79/53/519737953.db2.gz IBMFECXPPJCHEJ-CYBMUJFWSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN1CCN(Cc2ccc(Cl)cc2N)CC1 ZINC000050442835 519859255 /nfs/dbraw/zinc/85/92/55/519859255.db2.gz MHKYSSOEXQEMTI-UHFFFAOYSA-N 0 3 267.804 2.450 10 0 CEAEHN CCCN1CCO[C@H](CN)[C@@H]1c1ccc(C)c(F)c1 ZINC000070288174 519861156 /nfs/dbraw/zinc/86/11/56/519861156.db2.gz DTYVFKNFJPQXBY-CABCVRRESA-N 0 3 266.360 2.245 10 0 CEAEHN CCCC1CCN(Cc2cc(CNC)no2)CC1 ZINC000052373935 519902184 /nfs/dbraw/zinc/90/21/84/519902184.db2.gz TVKRIUFMLFLGJF-UHFFFAOYSA-N 0 3 251.374 2.406 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(C)cc1OC ZINC000061293811 519906471 /nfs/dbraw/zinc/90/64/71/519906471.db2.gz FHGUBAWXDMAWKU-UHFFFAOYSA-N 0 3 250.342 2.330 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000061292581 519907274 /nfs/dbraw/zinc/90/72/74/519907274.db2.gz DHIBFQUABXDQSY-UHFFFAOYSA-N 0 3 272.352 2.403 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(OC)cc1OC ZINC000061286737 519907657 /nfs/dbraw/zinc/90/76/57/519907657.db2.gz IINXJEMNRFZEOS-UHFFFAOYSA-N 0 3 266.341 2.030 10 0 CEAEHN CCCNCc1cc(CN(CCN(C)C)CC(C)C)on1 ZINC000052503339 519945972 /nfs/dbraw/zinc/94/59/72/519945972.db2.gz IIOOTFVCOKDVAR-UHFFFAOYSA-N 0 3 296.459 2.194 10 0 CEAEHN CCCNCc1cccnc1N(CCOC)[C@H](C)COC ZINC000051519263 519955922 /nfs/dbraw/zinc/95/59/22/519955922.db2.gz QXKRWPJEUFUQLW-CQSZACIVSA-N 0 3 295.427 2.069 10 0 CEAEHN CCCNCc1occc1CN1CCOCC1(C)C ZINC000052546108 519972849 /nfs/dbraw/zinc/97/28/49/519972849.db2.gz YGIWBELICDHAMC-UHFFFAOYSA-N 0 3 266.385 2.390 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OCCOCCO ZINC000062747188 519988909 /nfs/dbraw/zinc/98/89/09/519988909.db2.gz CISQVUBQZKQSPP-LBPRGKRZSA-N 0 3 285.359 2.274 10 0 CEAEHN CCNCc1cc(CN2C[C@H](C)OC[C@@H]2C)c(C)o1 ZINC000052476716 519989440 /nfs/dbraw/zinc/98/94/40/519989440.db2.gz JXOVYBYULZKNML-RYUDHWBXSA-N 0 3 266.385 2.307 10 0 CEAEHN CCCN[C@@H](CS(C)(=O)=O)c1ccccc1C ZINC000052789203 520011216 /nfs/dbraw/zinc/01/12/16/520011216.db2.gz WQMZZHWELPMIQJ-ZDUSSCGKSA-N 0 3 255.383 2.080 10 0 CEAEHN CCCN[C@@](COc1cccc(C)c1C)(C(N)=O)C1CC1 ZINC000069197075 520057390 /nfs/dbraw/zinc/05/73/90/520057390.db2.gz SDDCPOWTKMQXEA-QGZVFWFLSA-N 0 3 290.407 2.316 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OCCOCCO ZINC000062747189 520065950 /nfs/dbraw/zinc/06/59/50/520065950.db2.gz CISQVUBQZKQSPP-GFCCVEGCSA-N 0 3 285.359 2.274 10 0 CEAEHN CCCN[C@H](CN1CCN(C)C1=O)c1ccc(C)cc1 ZINC000052885566 520081967 /nfs/dbraw/zinc/08/19/67/520081967.db2.gz SFNDDIBDEDUQNO-OAHLLOKOSA-N 0 3 275.396 2.403 10 0 CEAEHN CCN[C@@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547888 520090014 /nfs/dbraw/zinc/09/00/14/520090014.db2.gz IWPZIAKBKAAENU-AWEZNQCLSA-N 0 3 264.369 2.042 10 0 CEAEHN CCCN[C@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1COCCO1 ZINC000055300725 520091440 /nfs/dbraw/zinc/09/14/40/520091440.db2.gz XIOYMDSPUHWMAY-AFAVFJNCSA-N 0 3 291.391 2.466 10 0 CEAEHN CCN[C@@H](CCOC)c1cc(OC)ccc1OC ZINC000055234714 520091682 /nfs/dbraw/zinc/09/16/82/520091682.db2.gz IRIOYAMYQXFQRC-ZDUSSCGKSA-N 0 3 253.342 2.391 10 0 CEAEHN CCCN[C@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702879 520092094 /nfs/dbraw/zinc/09/20/94/520092094.db2.gz YKWHKASWZBPRCJ-KBPBESRZSA-N 0 3 267.394 2.381 10 0 CEAEHN CCCN[C@H]1CCN(c2ccc3ncccc3c2)C1=O ZINC000054108244 520096903 /nfs/dbraw/zinc/09/69/03/520096903.db2.gz AOZCULFQKZNZRB-HNNXBMFYSA-N 0 3 269.348 2.340 10 0 CEAEHN CCN[C@@H](Cc1ccc(OC)c(OC)c1)c1ccnn1C ZINC000069467522 520103335 /nfs/dbraw/zinc/10/33/35/520103335.db2.gz FVFWPSGZKPPPLN-ZDUSSCGKSA-N 0 3 289.379 2.331 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CC(=O)N2)[C@H]1CCCCO1 ZINC000050962131 520111143 /nfs/dbraw/zinc/11/11/43/520111143.db2.gz TZMUTZUQRWOTHJ-ZBFHGGJFSA-N 0 3 274.364 2.401 10 0 CEAEHN CCCN[C@](CN(CC)CC)(C(=O)OCC)C1CC1 ZINC000069093381 520119278 /nfs/dbraw/zinc/11/92/78/520119278.db2.gz FNZAXBQNUMIHHK-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3nc(CC)no3)ccc21 ZINC000062804678 520124481 /nfs/dbraw/zinc/12/44/81/520124481.db2.gz CSNVHHPUJMAYDS-GFCCVEGCSA-N 0 3 289.335 2.254 10 0 CEAEHN CCCN[C@](COc1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069196042 520124401 /nfs/dbraw/zinc/12/44/01/520124401.db2.gz KBIHQTMHMKDOCY-INIZCTEOSA-N 0 3 276.380 2.008 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1ccc(OCC)cc1)C(N)=O ZINC000068655104 520143018 /nfs/dbraw/zinc/14/30/18/520143018.db2.gz PKPWRQBYXYHQJX-WBMJQRKESA-N 0 3 294.395 2.096 10 0 CEAEHN CCOC[C@H](O)COc1ccc2c(c1)OC(C)(C)C[C@H]2N ZINC000069275729 520164283 /nfs/dbraw/zinc/16/42/83/520164283.db2.gz PGAVSNWQKVBEJQ-SMDDNHRTSA-N 0 3 295.379 2.024 10 0 CEAEHN CCCNc1cccc(C(=O)N[C@H](CN(C)C)C(C)C)n1 ZINC000051071770 520174524 /nfs/dbraw/zinc/17/45/24/520174524.db2.gz MMIJXDWLVZPANZ-CQSZACIVSA-N 0 3 292.427 2.220 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCCC(=O)NC ZINC000062746863 520177935 /nfs/dbraw/zinc/17/79/35/520177935.db2.gz SUGRNEUZQCRDDE-SNVBAGLBSA-N 0 3 268.332 2.011 10 0 CEAEHN CCN[C@H](CCSc1ccc(C)c(C)c1)C(N)=O ZINC000062599734 520194915 /nfs/dbraw/zinc/19/49/15/520194915.db2.gz GJEBQXDMEJYLJZ-CYBMUJFWSA-N 0 3 266.410 2.249 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1ccc(C)cc1 ZINC000052885615 520196639 /nfs/dbraw/zinc/19/66/39/520196639.db2.gz HMQBAFYSSWJRHU-CQSZACIVSA-N 0 3 261.369 2.013 10 0 CEAEHN CCCNc1ncccc1CN1CCCN(C)CC1 ZINC000052717967 520196597 /nfs/dbraw/zinc/19/65/97/520196597.db2.gz BBYMDVHSEQZXMM-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CCN[C@H](Cc1cnn(C)c1)c1ccccc1OC ZINC000050542252 520204754 /nfs/dbraw/zinc/20/47/54/520204754.db2.gz NBANKMOESVXMAG-CQSZACIVSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Sc1cccc(OC)c1)C(N)=O ZINC000068634267 520241901 /nfs/dbraw/zinc/24/19/01/520241901.db2.gz NFAITBODKLDVJJ-XHDPSFHLSA-N 0 3 296.436 2.419 10 0 CEAEHN CCCOCCC(=O)Nc1cccc2c1CCNC2 ZINC000054434658 520253135 /nfs/dbraw/zinc/25/31/35/520253135.db2.gz KTPGWHRXMRIKOP-UHFFFAOYSA-N 0 3 262.353 2.088 10 0 CEAEHN CCNc1cc(CN2CCN([C@@H](C)CC)CC2)ccn1 ZINC000055071292 520272436 /nfs/dbraw/zinc/27/24/36/520272436.db2.gz BBDOVPAMVPQRCH-AWEZNQCLSA-N 0 3 276.428 2.430 10 0 CEAEHN CCNc1cc(CN2CCN(CC(C)C)CC2)ccn1 ZINC000055081554 520272449 /nfs/dbraw/zinc/27/24/49/520272449.db2.gz PUYPNSQGCOJIAK-UHFFFAOYSA-N 0 3 276.428 2.287 10 0 CEAEHN CCCOc1cc(OC)ccc1CNCCOC ZINC000062733269 520316839 /nfs/dbraw/zinc/31/68/39/520316839.db2.gz HQXCUFDOHJFADA-UHFFFAOYSA-N 0 3 253.342 2.220 10 0 CEAEHN CCCOc1ccc(OCC[C@@H](NC(C)C)C(N)=O)cc1 ZINC000062594396 520407247 /nfs/dbraw/zinc/40/72/47/520407247.db2.gz PAHKUMXAYJOZPT-OAHLLOKOSA-N 0 3 294.395 2.096 10 0 CEAEHN CC1(C)CN([C@H](CN)c2cccc3cccnc32)CCO1 ZINC000069502519 520491314 /nfs/dbraw/zinc/49/13/14/520491314.db2.gz LMCLZMSROXITIA-OAHLLOKOSA-N 0 3 285.391 2.345 10 0 CEAEHN CCOc1cc(CNCCOC)ccc1OCC(F)F ZINC000062731206 520716464 /nfs/dbraw/zinc/71/64/64/520716464.db2.gz AZIQPNFNSVHTMO-UHFFFAOYSA-N 0 3 289.322 2.465 10 0 CEAEHN CCN(CC)c1c(CNCC(C)C)c(C)nn1C ZINC000062734119 520875712 /nfs/dbraw/zinc/87/57/12/520875712.db2.gz WKXYUTNCXWSOEG-UHFFFAOYSA-N 0 3 252.406 2.320 10 0 CEAEHN CCCC[C@@H](C)N[C@@H]1CC(=O)N(C(CC)CC)C1=O ZINC000050887995 521012079 /nfs/dbraw/zinc/01/20/79/521012079.db2.gz CGKKKVGSWKSQDM-DGCLKSJQSA-N 0 3 268.401 2.471 10 0 CEAEHN CCOC(=O)[C@@](CN(C)C[C@@H]1C[C@@H]1C)(NC(C)C)C1CC1 ZINC000069233511 521164767 /nfs/dbraw/zinc/16/47/67/521164767.db2.gz LFIWANCBBKYSLS-ZQIUZPCESA-N 0 3 296.455 2.284 10 0 CEAEHN CCC[C@H](N[C@@H](C)C(=O)NC(=O)NC)c1cccs1 ZINC000049544521 521168317 /nfs/dbraw/zinc/16/83/17/521168317.db2.gz DGNXTUHJYJXUBS-UWVGGRQHSA-N 0 3 283.397 2.023 10 0 CEAEHN CCOc1cccc(CNC)c1OCCCCCO ZINC000051019706 521359402 /nfs/dbraw/zinc/35/94/02/521359402.db2.gz YTXYQTRVCQUPAW-UHFFFAOYSA-N 0 3 267.369 2.346 10 0 CEAEHN CCC(CC)N(CCOC)Cc1cccnc1C(N)=S ZINC000061663568 521559319 /nfs/dbraw/zinc/55/93/19/521559319.db2.gz HJKRTPYBOYJERV-UHFFFAOYSA-N 0 3 295.452 2.353 10 0 CEAEHN CCCN(CC(F)(F)F)c1ccnc(C(=N)N)c1 ZINC000061814308 521586876 /nfs/dbraw/zinc/58/68/76/521586876.db2.gz OPOBNZVWBSXUOV-UHFFFAOYSA-N 0 3 260.263 2.144 10 0 CEAEHN CCOc1ccccc1[C@]([O-])([C@@H](C)[NH3+])C(F)(F)F ZINC000062784686 521592061 /nfs/dbraw/zinc/59/20/61/521592061.db2.gz KOZTTWWKRXAVOS-LDYMZIIASA-N 0 3 263.259 2.182 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccccn2)C1 ZINC000068587675 521618796 /nfs/dbraw/zinc/61/87/96/521618796.db2.gz XDINIMKYHOMRQB-UONOGXRCSA-N 0 3 290.411 2.268 10 0 CEAEHN CCCN(CCC)Cc1ccnc(C(N)=S)c1 ZINC000068751672 521648697 /nfs/dbraw/zinc/64/86/97/521648697.db2.gz HIGRSXMJRQUYII-UHFFFAOYSA-N 0 3 251.399 2.338 10 0 CEAEHN CCCn1cc(N)cc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000049500478 521653830 /nfs/dbraw/zinc/65/38/30/521653830.db2.gz JRFDFEMWZCMOTE-CYBMUJFWSA-N 0 3 292.427 2.085 10 0 CEAEHN CCCN(C[C@@](NC(C)C)(C(=O)OC)C1CC1)C1CC1 ZINC000069098244 521676044 /nfs/dbraw/zinc/67/60/44/521676044.db2.gz AIWKFOUZJCLIJJ-INIZCTEOSA-N 0 3 282.428 2.181 10 0 CEAEHN CCCN(Cc1cccnc1C(N)=S)C(C)C ZINC000061659702 521690648 /nfs/dbraw/zinc/69/06/48/521690648.db2.gz PYLBFZZPDBPNIF-UHFFFAOYSA-N 0 3 251.399 2.336 10 0 CEAEHN CCN1CCNCc2cccc(Br)c21 ZINC000062625828 521702801 /nfs/dbraw/zinc/70/28/01/521702801.db2.gz UYWHFWMXXWNPHN-UHFFFAOYSA-N 0 3 255.159 2.379 10 0 CEAEHN CC[C@H](C)Oc1cccc(NC(=O)[C@H](N)CCOC)c1 ZINC000052810465 521778444 /nfs/dbraw/zinc/77/84/44/521778444.db2.gz MGXSEVWGJJSAEK-SMDDNHRTSA-N 0 3 280.368 2.166 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000052792458 521823170 /nfs/dbraw/zinc/82/31/70/521823170.db2.gz ANXYWQANNWJPLK-MLGOLLRUSA-N 0 3 290.407 2.106 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2ccc(F)cc2F)c[nH]1 ZINC000052811254 521834693 /nfs/dbraw/zinc/83/46/93/521834693.db2.gz VEFSEHAJOCMFTA-LLVKDONJSA-N 0 3 267.279 2.391 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CC(=O)c1c(F)cccc1F ZINC000061645728 521835183 /nfs/dbraw/zinc/83/51/83/521835183.db2.gz WHAIZLCJFRTBPI-NSHDSACASA-N 0 3 282.334 2.174 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1nc2c(s1)C(=O)CCC2 ZINC000061655429 521875416 /nfs/dbraw/zinc/87/54/16/521875416.db2.gz YTPNEJFCFJCKFK-SNVBAGLBSA-N 0 3 279.409 2.193 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000061300262 521946069 /nfs/dbraw/zinc/94/60/69/521946069.db2.gz DVYADXCFKMYKTE-UHFFFAOYSA-N 0 3 291.395 2.009 10 0 CEAEHN CCc1ccccc1[C@H](NCCN(CC)CC)C(=O)OC ZINC000052204421 521953096 /nfs/dbraw/zinc/95/30/96/521953096.db2.gz VBAYDKXRRGLSML-INIZCTEOSA-N 0 3 292.423 2.395 10 0 CEAEHN CNCc1ccnc(C2(c3ccccc3)CCOCC2)n1 ZINC000062784127 522140957 /nfs/dbraw/zinc/14/09/57/522140957.db2.gz ZVPJGGWPOACCLT-UHFFFAOYSA-N 0 3 283.375 2.293 10 0 CEAEHN CNCc1[nH]nc(-c2ccc(OCCOC)cc2)c1C ZINC000066112968 522149107 /nfs/dbraw/zinc/14/91/07/522149107.db2.gz ABFBXSOVQPVIQP-UHFFFAOYSA-N 0 3 275.352 2.130 10 0 CEAEHN CNCc1cnn(Cc2ccc(Br)cc2)c1 ZINC000054719143 522150023 /nfs/dbraw/zinc/15/00/23/522150023.db2.gz MNAXFLGLVRITAT-UHFFFAOYSA-N 0 3 280.169 2.413 10 0 CEAEHN CNCc1sc(N2C[C@H](C)O[C@@H](C)C2)nc1C1CC1 ZINC000069146670 522168562 /nfs/dbraw/zinc/16/85/62/522168562.db2.gz BRAOHRPBPCTRRV-UWVGGRQHSA-N 0 3 281.425 2.354 10 0 CEAEHN CN(C)c1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000061611560 522233342 /nfs/dbraw/zinc/23/33/42/522233342.db2.gz LMFFVICHKVSQCQ-MRXNPFEDSA-N 0 3 283.375 2.434 10 0 CEAEHN CC[C@@H](C)SC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069185081 522274061 /nfs/dbraw/zinc/27/40/61/522274061.db2.gz VAHRXQKNFNFZNO-MFKMUULPSA-N 0 3 258.431 2.150 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCC(=O)NC(C)(C)C ZINC000062746558 522331087 /nfs/dbraw/zinc/33/10/87/522331087.db2.gz MDLXHNHPCUVFEK-JTQLQIEISA-N 0 3 282.359 2.400 10 0 CEAEHN CCc1nc(N2CCN(C3CCCC3)CC2)sc1CO ZINC000055003704 522386478 /nfs/dbraw/zinc/38/64/78/522386478.db2.gz JXYITVQCLYFKIG-UHFFFAOYSA-N 0 3 295.452 2.262 10 0 CEAEHN CN[C@@H]1COc2cc(OCCOCC(F)(F)F)ccc21 ZINC000062804083 522400091 /nfs/dbraw/zinc/40/00/91/522400091.db2.gz AIPRFQHNKNNWBF-LLVKDONJSA-N 0 3 291.269 2.297 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)Oc1ccc(C(C)C)cc1)C(N)=O ZINC000068655286 522415713 /nfs/dbraw/zinc/41/57/13/522415713.db2.gz HOXZNXNVMBVHKR-WBMJQRKESA-N 0 3 278.396 2.431 10 0 CEAEHN CN[C@H]1COc2cc(OCc3ccccn3)ccc21 ZINC000062804490 522506841 /nfs/dbraw/zinc/50/68/41/522506841.db2.gz YFMCDYIJWLVEIR-AWEZNQCLSA-N 0 3 256.305 2.314 10 0 CEAEHN COc1cc(F)c([C@H](N)[C@@H]2CCCCO2)cc1OC ZINC000061560333 522588721 /nfs/dbraw/zinc/58/87/21/522588721.db2.gz RKTGUYYMOSAZSE-FZMZJTMJSA-N 0 3 269.316 2.412 10 0 CEAEHN COC[C@H](C)N(C)Cc1occc1CNC(C)C ZINC000052511444 522594624 /nfs/dbraw/zinc/59/46/24/522594624.db2.gz KSOFFHIVSMHWMS-LBPRGKRZSA-N 0 3 254.374 2.244 10 0 CEAEHN CNc1ccc(C)cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000053003400 522604826 /nfs/dbraw/zinc/60/48/26/522604826.db2.gz QCFRCFNINPILSG-CYBMUJFWSA-N 0 3 275.396 2.108 10 0 CEAEHN CC[C@@H](NC(=O)[C@@H]1CCCCN1)c1cccs1 ZINC000049532088 522760770 /nfs/dbraw/zinc/76/07/70/522760770.db2.gz KOCSXBYOYPBAIN-MNOVXSKESA-N 0 3 252.383 2.458 10 0 CEAEHN CC[C@@H](NC1CCN(C(C)=O)CC1)c1ccco1 ZINC000054105729 522809429 /nfs/dbraw/zinc/80/94/29/522809429.db2.gz GPBXSLRNFBBAAG-CYBMUJFWSA-N 0 3 250.342 2.331 10 0 CEAEHN CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(CN)c1 ZINC000049120911 523045397 /nfs/dbraw/zinc/04/53/97/523045397.db2.gz SGPAZWUYOYEKLQ-ZFWWWQNUSA-N 0 3 296.436 2.392 10 0 CEAEHN COCCCN(C)c1ncccc1CNC(C)C ZINC000062035866 523234776 /nfs/dbraw/zinc/23/47/76/523234776.db2.gz RZLSJEUPSBAPKT-UHFFFAOYSA-N 0 3 251.374 2.052 10 0 CEAEHN CC[C@H]1COCCN1Cc1ccoc1CNC(C)C ZINC000052481486 523335420 /nfs/dbraw/zinc/33/54/20/523335420.db2.gz ZSQTVPXIXVHUMJ-AWEZNQCLSA-N 0 3 266.385 2.388 10 0 CEAEHN CC[C@@H]1CC[C@@H](N)[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000061702558 523353646 /nfs/dbraw/zinc/35/36/46/523353646.db2.gz DWLTZYFNNKCMAR-MRVWCRGKSA-N 0 3 267.394 2.366 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1Cc1nc(NN)ccc1Cl ZINC000061638561 523508538 /nfs/dbraw/zinc/50/85/38/523508538.db2.gz JBHFJOIZMIDCKR-VHSXEESVSA-N 0 3 284.791 2.020 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1cnc(C(C)C)nc1CNC ZINC000051518843 523510874 /nfs/dbraw/zinc/51/08/74/523510874.db2.gz KMRMBAGJPHCONC-QWHCGFSZSA-N 0 3 292.427 2.323 10 0 CEAEHN CCn1ccnc1[C@@H](Cc1ccccc1OC)NC ZINC000069497895 523554400 /nfs/dbraw/zinc/55/44/00/523554400.db2.gz PBODURYFTKTRFI-CYBMUJFWSA-N 0 3 259.353 2.415 10 0 CEAEHN COCCN(C)CCNc1ccc(N)c(C(F)(F)F)c1 ZINC000061378001 523613093 /nfs/dbraw/zinc/61/30/93/523613093.db2.gz XGIXEYKLIWWXDK-UHFFFAOYSA-N 0 3 291.317 2.278 10 0 CEAEHN CN1CCC(Nc2ccc(C(N)=S)cc2Cl)CC1 ZINC000062795265 523778511 /nfs/dbraw/zinc/77/85/11/523778511.db2.gz RVFYXOIRAQRCCY-UHFFFAOYSA-N 0 3 283.828 2.480 10 0 CEAEHN COCCN(c1nc(C)c(CN)s1)[C@H](C)C1CC1 ZINC000055000834 523784314 /nfs/dbraw/zinc/78/43/14/523784314.db2.gz HLLRKGPLYQLKMA-SNVBAGLBSA-N 0 3 269.414 2.162 10 0 CEAEHN COCCN(c1ccc(Cl)cc1CN)[C@@H](C)COC ZINC000052857480 523784758 /nfs/dbraw/zinc/78/47/58/523784758.db2.gz JCDKOCXENIWOBU-NSHDSACASA-N 0 3 286.803 2.286 10 0 CEAEHN COC(=O)[C@H](CCN1CCC(C)(C)CC1)NC(C)C ZINC000062533099 523898967 /nfs/dbraw/zinc/89/89/67/523898967.db2.gz ZMOWMZVOWICVLZ-ZDUSSCGKSA-N 0 3 270.417 2.038 10 0 CEAEHN CN(C(=O)c1cccc2c1NCCC2)C1CCN(C)CC1 ZINC000050957405 523946246 /nfs/dbraw/zinc/94/62/46/523946246.db2.gz JVQVZCYQNLMPHO-UHFFFAOYSA-N 0 3 287.407 2.211 10 0 CEAEHN COCCNCc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000054832628 523948192 /nfs/dbraw/zinc/94/81/92/523948192.db2.gz ONBSGRKHIVNZQF-UHFFFAOYSA-N 0 3 275.327 2.327 10 0 CEAEHN COCCNCc1cc(F)c(-n2ccnc2C)c(F)c1 ZINC000062738611 523949742 /nfs/dbraw/zinc/94/97/42/523949742.db2.gz SYODDZCFBPHTRN-UHFFFAOYSA-N 0 3 281.306 2.195 10 0 CEAEHN COCCNCc1ccc(-n2ccnc2C)c(F)c1 ZINC000062738599 523951111 /nfs/dbraw/zinc/95/11/11/523951111.db2.gz FPPKMTLDSRYARR-UHFFFAOYSA-N 0 3 263.316 2.056 10 0 CEAEHN COCCNCc1cccc(OC)c1OCC(F)F ZINC000062732349 523954944 /nfs/dbraw/zinc/95/49/44/523954944.db2.gz OQPLLEAVZOEGRQ-UHFFFAOYSA-N 0 3 275.295 2.075 10 0 CEAEHN COCCNCc1ccccc1N1CCOC(C)(C)C1 ZINC000062736270 523955744 /nfs/dbraw/zinc/95/57/44/523955744.db2.gz LAFSDTFGLSIOGE-UHFFFAOYSA-N 0 3 278.396 2.038 10 0 CEAEHN COCCNCc1nc(C)c(-c2ccc(C)cc2)[nH]1 ZINC000069236672 523957319 /nfs/dbraw/zinc/95/73/19/523957319.db2.gz HFDKNYOHSNTCLX-UHFFFAOYSA-N 0 3 259.353 2.430 10 0 CEAEHN CNC(=O)[C@H](CC(C)C)NCc1cccc2cnccc21 ZINC000061125296 524102337 /nfs/dbraw/zinc/10/23/37/524102337.db2.gz PERPXAPJRDWICO-INIZCTEOSA-N 0 3 285.391 2.485 10 0 CEAEHN COc1ccc(Cl)cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000062672108 524195915 /nfs/dbraw/zinc/19/59/15/524195915.db2.gz JRVJUFUTEGGXSI-NXEZZACHSA-N 0 3 282.771 2.171 10 0 CEAEHN Cc1cccc(C(=O)NCc2ccc(CC[NH3+])cc2)c1[O-] ZINC000052898850 524199046 /nfs/dbraw/zinc/19/90/46/524199046.db2.gz SETJTQALHBCOPO-UHFFFAOYSA-N 0 3 284.359 2.132 10 0 CEAEHN C[C@@H]1CCCN(C(=O)c2c[nH]c(=NN)c(Cl)c2)[C@@H]1C ZINC000051091730 524213551 /nfs/dbraw/zinc/21/35/51/524213551.db2.gz VZEIFBUTDLYAOR-RKDXNWHRSA-N 0 3 282.775 2.281 10 0 CEAEHN C[C@@H](C1CC1)N(C)Cc1nc(NN)ccc1Cl ZINC000061630957 524319430 /nfs/dbraw/zinc/31/94/30/524319430.db2.gz QCERDAOQDDHQJA-QMMMGPOBSA-N 0 3 254.765 2.251 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)N2)c(C)c1 ZINC000061568484 524595120 /nfs/dbraw/zinc/59/51/20/524595120.db2.gz JSVFIFFPRGZLOT-RISCZKNCSA-N 0 3 262.353 2.473 10 0 CEAEHN C[C@H]1CN(Cc2c(CN)oc3ccccc32)CCO1 ZINC000052382413 524608570 /nfs/dbraw/zinc/60/85/70/524608570.db2.gz KDSXCMXBWDDKTM-NSHDSACASA-N 0 3 260.337 2.112 10 0 CEAEHN C[C@H](C[C@@](C)(N)C(N)=O)Oc1ccc2ccccc2c1 ZINC000068656931 524631149 /nfs/dbraw/zinc/63/11/49/524631149.db2.gz YOTMZEBPOUSCHR-BDJLRTHQSA-N 0 3 272.348 2.200 10 0 CEAEHN COc1ccc(NC(=O)c2ccnc(NN)c2)cc1Cl ZINC000051089453 524648235 /nfs/dbraw/zinc/64/82/35/524648235.db2.gz MDNMFUUWRDELHL-UHFFFAOYSA-N 0 3 292.726 2.282 10 0 CEAEHN COc1ccc(NC(=O)c2cc[nH]c(=NN)c2)cc1Cl ZINC000051089453 524648243 /nfs/dbraw/zinc/64/82/43/524648243.db2.gz MDNMFUUWRDELHL-UHFFFAOYSA-N 0 3 292.726 2.282 10 0 CEAEHN Cc1ccc(F)c(C(=O)Nc2ccc(CN)cn2)c1 ZINC000052980578 524800137 /nfs/dbraw/zinc/80/01/37/524800137.db2.gz UZBVUQFTLUGXPO-UHFFFAOYSA-N 0 3 259.284 2.240 10 0 CEAEHN C[C@@H](C[C@@](C)(N)C(N)=O)Oc1ccccc1C(F)(F)F ZINC000068654750 524851728 /nfs/dbraw/zinc/85/17/28/524851728.db2.gz SXWJNCMXLVEJDF-QPUJVOFHSA-N 0 3 290.285 2.066 10 0 CEAEHN C[C@@H](C[C@](C)(N)C(N)=O)Oc1ccc2ccccc2c1 ZINC000068656907 524859892 /nfs/dbraw/zinc/85/98/92/524859892.db2.gz YOTMZEBPOUSCHR-ZBEGNZNMSA-N 0 3 272.348 2.200 10 0 CEAEHN C[C@H](N)c1cnc(N(C)CCc2ccncc2)s1 ZINC000054896170 524868259 /nfs/dbraw/zinc/86/82/59/524868259.db2.gz WGSFVYOLOUINJY-JTQLQIEISA-N 0 3 262.382 2.237 10 0 CEAEHN Cc1ccc(NC(=O)CN[C@H](C)CN2CCCCC2)cc1 ZINC000049501863 525065017 /nfs/dbraw/zinc/06/50/17/525065017.db2.gz JDIULCVZGNDDDP-OAHLLOKOSA-N 0 3 289.423 2.398 10 0 CEAEHN Cc1cc(N2CCN(C(C)(C)C)CC2)ccc1CO ZINC000050583060 525077555 /nfs/dbraw/zinc/07/75/55/525077555.db2.gz VZGMSGZBUBYHGE-UHFFFAOYSA-N 0 3 262.397 2.408 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Nc1ccccc1F ZINC000069133501 525095116 /nfs/dbraw/zinc/09/51/16/525095116.db2.gz FOCLJMWNULVWOM-NXEZZACHSA-N 0 3 251.305 2.040 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cccc2cccnc21 ZINC000069133466 525101535 /nfs/dbraw/zinc/10/15/35/525101535.db2.gz FEKAETHQYHERHX-TXEJJXNPSA-N 0 3 269.348 2.057 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCSCC2)cc1C ZINC000050596513 525180487 /nfs/dbraw/zinc/18/04/87/525180487.db2.gz AYQIJAPOOXXFER-CYBMUJFWSA-N 0 3 266.410 2.052 10 0 CEAEHN COc1ccc([C@@H](N)Cc2ccncc2)c(OC)c1 ZINC000055232993 525189692 /nfs/dbraw/zinc/18/96/92/525189692.db2.gz CPFFLHUURCMQSF-AWEZNQCLSA-N 0 3 258.321 2.341 10 0 CEAEHN Cc1ccccc1N(C)C[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069231352 525215440 /nfs/dbraw/zinc/21/54/40/525215440.db2.gz KVNVMQOJEZDVMX-KRWDZBQOSA-N 0 3 289.423 2.063 10 0 CEAEHN C[C@H](NCCc1ccsc1)C(=O)NC(C)(C)C ZINC000049181609 525370589 /nfs/dbraw/zinc/37/05/89/525370589.db2.gz SDWGEOFKSKVHCD-JTQLQIEISA-N 0 3 254.399 2.183 10 0 CEAEHN Cc1ccc(S(=O)(=O)N(C)c2cccc(CN)c2)cc1 ZINC000061950458 525501671 /nfs/dbraw/zinc/50/16/71/525501671.db2.gz WOBFVLYNPWTJTH-UHFFFAOYSA-N 0 3 290.388 2.279 10 0 CEAEHN Cc1cc([C@H](NC2CCCC2)C(N)=O)ccc1F ZINC000050558971 525537687 /nfs/dbraw/zinc/53/76/87/525537687.db2.gz FINGHTTUYBXPFT-ZDUSSCGKSA-N 0 3 250.317 2.193 10 0 CEAEHN CSCC[C@@H](N)c1nc(-c2cccs2)n[nH]1 ZINC000054700161 525547681 /nfs/dbraw/zinc/54/76/81/525547681.db2.gz LRXIDGAFGDBWIN-SSDOTTSWSA-N 0 3 254.384 2.286 10 0 CEAEHN CSC[C@@H](C)CNCC(=O)Nc1c(F)cccc1F ZINC000069448130 525622040 /nfs/dbraw/zinc/62/20/40/525622040.db2.gz CVHKGLYPNGKYML-VIFPVBQESA-N 0 3 288.363 2.492 10 0 CEAEHN C[C@H](O)c1ccc(F)cc1OCCN1CCCC1 ZINC000062748767 525853915 /nfs/dbraw/zinc/85/39/15/525853915.db2.gz CBIBTHPJKVRFDF-NSHDSACASA-N 0 3 253.317 2.354 10 0 CEAEHN COc1cccc(CN2CCN[C@H](c3ccccc3)C2)n1 ZINC000068693567 525947387 /nfs/dbraw/zinc/94/73/87/525947387.db2.gz FCMUCWODEAXSSV-INIZCTEOSA-N 0 3 283.375 2.237 10 0 CEAEHN Cc1ccc(=O)n(C[C@H](N)c2ccc(C(C)C)cc2)n1 ZINC000061810408 525977800 /nfs/dbraw/zinc/97/78/00/525977800.db2.gz PTJFVJLKZYLIBY-HNNXBMFYSA-N 0 3 271.364 2.375 10 0 CEAEHN Cc1ccc(=O)n(C[C@H](N)C23CC4CC(CC(C4)C2)C3)n1 ZINC000061810462 525978297 /nfs/dbraw/zinc/97/82/97/525978297.db2.gz UMSRSSCPQHPJSX-RDVIWEACSA-N 0 3 287.407 2.095 10 0 CEAEHN COc1cccc(OC)c1OCc1occc1CN ZINC000052650148 526225348 /nfs/dbraw/zinc/22/53/48/526225348.db2.gz CIHMREANYOORER-UHFFFAOYSA-N 0 3 263.293 2.335 10 0 CEAEHN Cc1nc(C)n(Cc2ccoc2CNC(C)(C)C)n1 ZINC000052574526 526765386 /nfs/dbraw/zinc/76/53/86/526765386.db2.gz KMUFYHLGZLGBDJ-UHFFFAOYSA-N 0 3 262.357 2.424 10 0 CEAEHN Cc1oc(CNC2CC2)cc1CN1CCOC[C@@H]1C ZINC000052476089 526775053 /nfs/dbraw/zinc/77/50/53/526775053.db2.gz PVQNJKYFHBKATO-NSHDSACASA-N 0 3 264.369 2.061 10 0 CEAEHN Cc1nc(CN(C)c2ncc(CN)s2)cs1 ZINC000054897346 526847036 /nfs/dbraw/zinc/84/70/36/526847036.db2.gz NCGQJIWDPXYYER-UHFFFAOYSA-N 0 3 254.384 2.003 10 0 CEAEHN Cc1nc(N)sc1C(=O)Nc1ccccc1CN(C)C ZINC000055171821 526959137 /nfs/dbraw/zinc/95/91/37/526959137.db2.gz DKJWFXLBRSBAOY-UHFFFAOYSA-N 0 3 290.392 2.348 10 0 CEAEHN Cc1nc(N2CCN(CC3CC3)CC2)sc1[C@H](C)N ZINC000054898773 526968939 /nfs/dbraw/zinc/96/89/39/526968939.db2.gz XVADGWMWSJWGOW-JTQLQIEISA-N 0 3 280.441 2.003 10 0 CEAEHN NC[C@@H](c1ccccc1F)N1CCC[C@@H]1CCCO ZINC000052757572 527207958 /nfs/dbraw/zinc/20/79/58/527207958.db2.gz STIWZPHVHRORKD-DOMZBBRYSA-N 0 3 266.360 2.062 10 0 CEAEHN Cc1nc[nH]c1CNCc1ccccc1-n1cccn1 ZINC000054796981 527213611 /nfs/dbraw/zinc/21/36/11/527213611.db2.gz AEBXMSXCJUTBNY-UHFFFAOYSA-N 0 3 267.336 2.194 10 0 CEAEHN NC[C@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1 ZINC000050910659 527230421 /nfs/dbraw/zinc/23/04/21/527230421.db2.gz ZUGWRDZBMSMZDT-OAHLLOKOSA-N 0 3 282.343 2.431 10 0 CEAEHN NCc1cc(COc2ccc(F)cc2F)ccn1 ZINC000068751177 527247663 /nfs/dbraw/zinc/24/76/63/527247663.db2.gz SHGPAPQJJNXSBP-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN NCc1cc(CN2CC[C@@H](c3ccccc3)C2)on1 ZINC000052373098 527248114 /nfs/dbraw/zinc/24/81/14/527248114.db2.gz XRZRQWPOZODDFK-CYBMUJFWSA-N 0 3 257.337 2.123 10 0 CEAEHN N[C@@H](Cn1ncccc1=O)c1ccc2ccccc2c1 ZINC000061402824 527337598 /nfs/dbraw/zinc/33/75/98/527337598.db2.gz DKCFHIFWXIHRRS-HNNXBMFYSA-N 0 3 265.316 2.097 10 0 CEAEHN N[C@@H](Cn1ncc2ccccc21)c1ccc2c(c1)OCO2 ZINC000050525528 527338069 /nfs/dbraw/zinc/33/80/69/527338069.db2.gz MAZXIBFDJBJMTO-ZDUSSCGKSA-N 0 3 281.315 2.465 10 0 CEAEHN N[C@@H](c1nc2c(s1)CCCC2)C1CCOCC1 ZINC000052179410 527340670 /nfs/dbraw/zinc/34/06/70/527340670.db2.gz FXXDNNHAKAABRA-GFCCVEGCSA-N 0 3 252.383 2.448 10 0 CEAEHN N[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000062209217 527340828 /nfs/dbraw/zinc/34/08/28/527340828.db2.gz UJKVZEMWIPBBRR-DGCLKSJQSA-N 0 3 250.729 2.103 10 0 CEAEHN Nc1cc2c(cc1NCCN1CCCCC1)NC(=O)CC2 ZINC000049574662 527462990 /nfs/dbraw/zinc/46/29/90/527462990.db2.gz IPVOVSVXVYERCF-UHFFFAOYSA-N 0 3 288.395 2.051 10 0 CEAEHN Cn1ccnc1[C@H](N)Cc1ccccc1Br ZINC000069029865 527463725 /nfs/dbraw/zinc/46/37/25/527463725.db2.gz ACZMPFXCTARHGO-LLVKDONJSA-N 0 3 280.169 2.425 10 0 CEAEHN Cc1ncsc1CCOCc1cccnc1CN ZINC000061657547 527490438 /nfs/dbraw/zinc/49/04/38/527490438.db2.gz KTEPPWLPYGGADN-UHFFFAOYSA-N 0 3 263.366 2.065 10 0 CEAEHN Nc1cccc(N2CCN(CCc3cccnc3)CC2)c1 ZINC000063222968 527518801 /nfs/dbraw/zinc/51/88/01/527518801.db2.gz RWNMLNBAVQPDDA-UHFFFAOYSA-N 0 3 282.391 2.029 10 0 CEAEHN Nc1cnn(CCN(Cc2ccccc2)C2CC2)c1 ZINC000050614707 527538773 /nfs/dbraw/zinc/53/87/73/527538773.db2.gz IKDQFTQVJSICDY-UHFFFAOYSA-N 0 3 256.353 2.130 10 0 CEAEHN Cc1nn(C)c(N2CCCO[C@H](C)C2)c1CNC(C)(C)C ZINC000062738341 527675804 /nfs/dbraw/zinc/67/58/04/527675804.db2.gz YRYDIIKZXHYNCR-GFCCVEGCSA-N 0 3 294.443 2.232 10 0 CEAEHN FC(F)Oc1cccc(-c2cc(N3CCNCC3)n[nH]2)c1 ZINC000062669981 527696845 /nfs/dbraw/zinc/69/68/45/527696845.db2.gz AXQLMDXUMUEKRL-UHFFFAOYSA-N 0 3 294.305 2.088 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000175877752 528500389 /nfs/dbraw/zinc/50/03/89/528500389.db2.gz NDDXMPIAFDAMOO-MCIONIFRSA-N 0 3 252.402 2.125 10 0 CEAEHN N[C@@H]1C[C@H](C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 ZINC000675059435 570365347 /nfs/dbraw/zinc/36/53/47/570365347.db2.gz ILTJYJXTBFTPLV-VXNVDRBHSA-N 0 3 299.701 2.448 10 0 CEAEHN CC(C)CN=[S@](=O)(c1ccc(N)cc1)N(C)C ZINC000675073822 574511270 /nfs/dbraw/zinc/51/12/70/574511270.db2.gz BOWSOUNKHIQDOX-QGZVFWFLSA-N 0 3 255.387 2.228 10 0 CEAEHN C[C@H](N1CCC[C@@]12CN1CCC2CC1)C(F)(F)F ZINC000757129565 574825977 /nfs/dbraw/zinc/82/59/77/574825977.db2.gz LVRYKXMKZVVWEK-JQWIXIFHSA-N 0 3 262.319 2.497 10 0 CEAEHN COC(=O)C[C@@H](N)c1cscc1Br ZINC000238336916 623481699 /nfs/dbraw/zinc/48/16/99/623481699.db2.gz UFRZFPXWEBPZFU-SSDOTTSWSA-N 0 3 264.144 2.074 10 0 CEAEHN COc1ccc(OCCN2CCC[C@@H](C(C)=O)C2)cc1 ZINC000113652228 627994152 /nfs/dbraw/zinc/99/41/52/627994152.db2.gz MEYQLJJDDCVWBO-CQSZACIVSA-N 0 3 277.364 2.375 10 0 CEAEHN C[C@H]1[C@@H](NC(=O)n2ccnc2)CCN1Cc1ccccc1 ZINC000309865303 628072085 /nfs/dbraw/zinc/07/20/85/628072085.db2.gz FGGNKNWLQJIWES-ZFWWWQNUSA-N 0 3 284.363 2.104 10 0 CEAEHN CC(C)NC(=S)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000309900406 628226679 /nfs/dbraw/zinc/22/66/79/628226679.db2.gz OTQFHQCHPKWHRG-ZDUSSCGKSA-N 0 3 279.453 2.379 10 0 CEAEHN COC(=O)C[C@H](N)c1ccc(Br)c(F)c1 ZINC000089065434 631165202 /nfs/dbraw/zinc/16/52/02/631165202.db2.gz KMUPWBXZRSDDSF-VIFPVBQESA-N 0 3 276.105 2.151 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCCC2(C)C)C1 ZINC000263481618 631443080 /nfs/dbraw/zinc/44/30/80/631443080.db2.gz GKGAIDWIVNBBLJ-BPCQOVAHSA-N 0 3 268.401 2.092 10 0 CEAEHN CC1CCC(CN2CCC([N@H+](C)CC(=O)[O-])CC2)CC1 ZINC000263484210 631443821 /nfs/dbraw/zinc/44/38/21/631443821.db2.gz GZFHMVMYBOSLNG-UHFFFAOYSA-N 0 3 282.428 2.294 10 0 CEAEHN CC1CCC(CN2CCC([N@@H+](C)CC(=O)[O-])CC2)CC1 ZINC000263484210 631443825 /nfs/dbraw/zinc/44/38/25/631443825.db2.gz GZFHMVMYBOSLNG-UHFFFAOYSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cnc(Cl)cn1 ZINC000231283177 639845468 /nfs/dbraw/zinc/84/54/68/639845468.db2.gz DLJJFKLINLNPPJ-WCQYABFASA-N 0 3 280.803 2.189 10 0 CEAEHN COc1ccc([C@H](C)C(=O)NNc2ccncc2)cc1 ZINC000180462487 641459092 /nfs/dbraw/zinc/45/90/92/641459092.db2.gz NYQHEILYXVWLGZ-NSHDSACASA-N 0 3 271.320 2.337 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(F)(F)c1ccccc1 ZINC000113231529 644299558 /nfs/dbraw/zinc/29/95/58/644299558.db2.gz DFPCKTYQBQTELF-GXTWGEPZSA-N 0 3 294.345 2.474 10 0 CEAEHN COC[C@@H](C)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000117094032 645668355 /nfs/dbraw/zinc/66/83/55/645668355.db2.gz MPMOJPLIFOEAEM-UKRRQHHQSA-N 0 3 277.364 2.087 10 0 CEAEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc2ccccc2n1 ZINC000124508527 187140541 /nfs/dbraw/zinc/14/05/41/187140541.db2.gz VIRULNSLHMXRDR-OCCSQVGLSA-N 0 3 283.375 2.321 10 0 CEAEHN CCNCc1sc([C@@H]2CCCO2)nc1COC ZINC000082446098 178023065 /nfs/dbraw/zinc/02/30/65/178023065.db2.gz GDGJMMSQGDBEAM-JTQLQIEISA-N 0 3 256.371 2.251 10 0 CEAEHN CS(=O)(=O)c1ccc([C@@H](N)CCC(F)(F)F)cc1 ZINC000095760041 185026197 /nfs/dbraw/zinc/02/61/97/185026197.db2.gz MVQHMMMCSDIJED-JTQLQIEISA-N 0 3 281.299 2.432 10 0 CEAEHN CS(=O)(=O)c1ccc([C@H](N)C2CCCC2)cc1 ZINC000082619735 178128525 /nfs/dbraw/zinc/12/85/25/178128525.db2.gz GFUQDZDQDLLGNZ-CYBMUJFWSA-N 0 3 253.367 2.280 10 0 CEAEHN CC[C@H]1CSC(NCCOCC(F)(F)F)=N1 ZINC000082627775 178140331 /nfs/dbraw/zinc/14/03/31/178140331.db2.gz CMRVAONASRQJDQ-ZETCQYMHSA-N 0 3 256.293 2.036 10 0 CEAEHN C[C@@H]1C[C@@H]1CN(C)Cc1nc(NN)ccc1Cl ZINC000082650042 178141677 /nfs/dbraw/zinc/14/16/77/178141677.db2.gz JBENRDNEFCKQCR-RKDXNWHRSA-N 0 3 254.765 2.108 10 0 CEAEHN CC[C@H](C)[C@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939133 361799158 /nfs/dbraw/zinc/79/91/58/361799158.db2.gz OPIVTJSOFLQCET-SDBXPKJASA-N 0 3 261.325 2.380 10 0 CEAEHN Cn1cc([C@H](N)c2cc(F)ccc2Br)cn1 ZINC000034957682 361800114 /nfs/dbraw/zinc/80/01/14/361800114.db2.gz ILBHGOJHEGZNHD-NSHDSACASA-N 0 3 284.132 2.370 10 0 CEAEHN C[C@H](CC(N)=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000124180138 365646304 /nfs/dbraw/zinc/64/63/04/365646304.db2.gz PLJJDNHJHNAOSX-PWSUYJOCSA-N 0 3 262.353 2.142 10 0 CEAEHN CN[C@H](CCO)c1ccc(F)c(Br)c1 ZINC000082918199 178330078 /nfs/dbraw/zinc/33/00/78/178330078.db2.gz RKJIDFIOICMKPE-SNVBAGLBSA-N 0 3 262.122 2.231 10 0 CEAEHN CN[C@@H](CCO)c1ccc(F)c(Br)c1 ZINC000082918198 178330183 /nfs/dbraw/zinc/33/01/83/178330183.db2.gz RKJIDFIOICMKPE-JTQLQIEISA-N 0 3 262.122 2.231 10 0 CEAEHN C[C@@H]1NCCO[C@H]1c1cccc(Br)c1 ZINC000096884376 185120627 /nfs/dbraw/zinc/12/06/27/185120627.db2.gz BACMQQRWZKODEZ-GZMMTYOYSA-N 0 3 256.143 2.499 10 0 CEAEHN N[C@@H]1C[C@]12CNc1c2cc(Cl)cc1Br ZINC000725247597 539192171 /nfs/dbraw/zinc/19/21/71/539192171.db2.gz RTGMZZRVFJYVHT-PSASIEDQSA-N 0 3 273.561 2.497 10 0 CEAEHN COC[C@H](N[C@@H](CN(C)C)c1ccccc1)C1CC1 ZINC000126038829 187212210 /nfs/dbraw/zinc/21/22/10/187212210.db2.gz MMOYKFCYNXZGNA-HOTGVXAUSA-N 0 3 262.397 2.304 10 0 CEAEHN C[C@H](NC(=O)[C@H]1C[C@H](C)CCN1)c1cccs1 ZINC000126132774 187218809 /nfs/dbraw/zinc/21/88/09/187218809.db2.gz UAJGBUMYVZWCOL-OUAUKWLOSA-N 0 3 252.383 2.313 10 0 CEAEHN CCCCOC[C@H](O)CN1CC[C@H](C(F)(F)F)C1 ZINC000310663508 539279058 /nfs/dbraw/zinc/27/90/58/539279058.db2.gz KMMRJUACMDZSOG-WDEREUQCSA-N 0 3 269.307 2.048 10 0 CEAEHN COc1cc([C@@H](N)CO)ccc1OCc1ccccc1 ZINC000041409547 362033865 /nfs/dbraw/zinc/03/38/65/362033865.db2.gz CNPCDJGSLHUZQL-AWEZNQCLSA-N 0 3 273.332 2.266 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000037019310 343425659 /nfs/dbraw/zinc/42/56/59/343425659.db2.gz MORCWKRQLZDNLM-CQSZACIVSA-N 0 3 272.352 2.184 10 0 CEAEHN COc1ccc(CN[C@H]2CCC[C@@H](O)C2)c(OC)c1OC ZINC000037164398 343426030 /nfs/dbraw/zinc/42/60/30/343426030.db2.gz QLNVQJRXESGHGN-QWHCGFSZSA-N 0 3 295.379 2.106 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)COc2ccccc2Cl)C1 ZINC000048753510 362302076 /nfs/dbraw/zinc/30/20/76/362302076.db2.gz LWNBZYOIQZLPFJ-GFCCVEGCSA-N 0 3 296.798 2.319 10 0 CEAEHN CC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[C@H](CCl)C2)C1 ZINC000095087997 344236177 /nfs/dbraw/zinc/23/61/77/344236177.db2.gz ZMJWYIZCNOYBBH-SGMGOOAPSA-N 0 3 272.820 2.227 10 0 CEAEHN COc1ccc(CNc2ncccc2CN)c(OC)c1 ZINC000115471771 344283516 /nfs/dbraw/zinc/28/35/16/344283516.db2.gz YONPWQOBBBWCCL-UHFFFAOYSA-N 0 3 273.336 2.170 10 0 CEAEHN C[C@@]1(C(=O)Nc2nc3c(s2)CCC3)CCCCN1 ZINC000136148078 344384200 /nfs/dbraw/zinc/38/42/00/344384200.db2.gz JPTRXSRWADDRGQ-ZDUSSCGKSA-N 0 3 265.382 2.103 10 0 CEAEHN COc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000143654942 344406234 /nfs/dbraw/zinc/40/62/34/344406234.db2.gz JCIYXQUNIYISDV-CVEARBPZSA-N 0 3 298.386 2.298 10 0 CEAEHN COc1ccc(Oc2cc(CN)ccn2)cc1OC ZINC000150334299 344417764 /nfs/dbraw/zinc/41/77/64/344417764.db2.gz WUPJTMVFJDWASX-UHFFFAOYSA-N 0 3 260.293 2.350 10 0 CEAEHN NCc1cc(-c2ccc(C(F)(F)F)nc2)ncn1 ZINC000168570131 344480424 /nfs/dbraw/zinc/48/04/24/344480424.db2.gz GUVJJZHGUBAILY-UHFFFAOYSA-N 0 3 254.215 2.016 10 0 CEAEHN Cc1ccccc1C1(C(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000170868348 344491641 /nfs/dbraw/zinc/49/16/41/344491641.db2.gz KIPREXFRJYWFFR-AWEZNQCLSA-N 0 3 272.392 2.189 10 0 CEAEHN CCOC(=O)C[C@@H](O)CN[C@H](C)c1ccc(CC)cc1 ZINC000234012074 344582865 /nfs/dbraw/zinc/58/28/65/344582865.db2.gz YUWYVWHNLHNHBZ-IUODEOHRSA-N 0 3 279.380 2.214 10 0 CEAEHN COc1ccccc1NC(=O)[C@H]1NCCCC1(C)C ZINC000234909575 344588322 /nfs/dbraw/zinc/58/83/22/344588322.db2.gz LCLVXXUWGZKRSV-CYBMUJFWSA-N 0 3 262.353 2.412 10 0 CEAEHN CCCCOc1ccc(CN[C@@H]2CCCNC2=O)cc1 ZINC000050394756 362418594 /nfs/dbraw/zinc/41/85/94/362418594.db2.gz ZVQCEKBZSBMQMI-OAHLLOKOSA-N 0 3 276.380 2.234 10 0 CEAEHN CC(C)(C)OC(=O)NCCCCCNCCC#N ZINC000238139172 344606198 /nfs/dbraw/zinc/60/61/98/344606198.db2.gz PMGFFRDGZWCHOE-UHFFFAOYSA-N 0 3 255.362 2.185 10 0 CEAEHN COc1cc([C@H](N)CF)cc(Br)c1O ZINC000238424733 344606605 /nfs/dbraw/zinc/60/66/05/344606605.db2.gz RKSSBTXSKSHPCE-SSDOTTSWSA-N 0 3 264.094 2.133 10 0 CEAEHN NCc1nc2cc(Cl)c(Br)cc2[nH]1 ZINC000238636845 344607130 /nfs/dbraw/zinc/60/71/30/344607130.db2.gz IOCNBJLZAVXQGO-UHFFFAOYSA-N 0 3 260.522 2.438 10 0 CEAEHN NCc1nc2cc(Br)c(Cl)cc2[nH]1 ZINC000238636845 344607132 /nfs/dbraw/zinc/60/71/32/344607132.db2.gz IOCNBJLZAVXQGO-UHFFFAOYSA-N 0 3 260.522 2.438 10 0 CEAEHN NCc1ccc(OC(F)(F)F)c(Br)n1 ZINC000238682362 344607545 /nfs/dbraw/zinc/60/75/45/344607545.db2.gz GKJBTPVMUYWBMM-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN CC[C@@H]1C[C@H]1[C@@H](N)c1c(Br)cnn1C ZINC000307138460 344720333 /nfs/dbraw/zinc/72/03/33/344720333.db2.gz ZSZZJSBHMSDJOZ-ZXFLCMHBSA-N 0 3 258.163 2.229 10 0 CEAEHN C[C@@H]1CCC[C@]1(N)c1ncc(Br)cn1 ZINC000307252298 344721123 /nfs/dbraw/zinc/72/11/23/344721123.db2.gz RWYVCAKGTYCMNS-GMSGAONNSA-N 0 3 256.147 2.213 10 0 CEAEHN Nc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000306674063 344716222 /nfs/dbraw/zinc/71/62/22/344716222.db2.gz PHLSYXOKJPEHDO-OAHLLOKOSA-N 0 3 268.364 2.350 10 0 CEAEHN CC(C)(C)c1nc(CN2CC[C@H]3OCCN[C@@H]3C2)cs1 ZINC000404095657 344877508 /nfs/dbraw/zinc/87/75/08/344877508.db2.gz XVCMBSCSCGOBKA-CHWSQXEVSA-N 0 3 295.452 2.003 10 0 CEAEHN Cc1cc(C)c(CN2CC[C@H]3OCCN[C@@H]3C2)c(C)c1 ZINC000404118365 344878286 /nfs/dbraw/zinc/87/82/86/344878286.db2.gz LXAOPEKLHYNWMC-IAGOWNOFSA-N 0 3 274.408 2.175 10 0 CEAEHN Cn1cc(CNCCO)c2cc(C(F)(F)F)c(F)cc21 ZINC000584602982 344963119 /nfs/dbraw/zinc/96/31/19/344963119.db2.gz HVFQVEFRUCUGIT-UHFFFAOYSA-N 0 3 290.260 2.418 10 0 CEAEHN N=C(N)c1cn2ccnc2c(Cc2cccc(Cl)c2)n1 ZINC000584605462 344963444 /nfs/dbraw/zinc/96/34/44/344963444.db2.gz PFDCRMMZQIMYKF-UHFFFAOYSA-N 0 3 285.738 2.258 10 0 CEAEHN CNc1c(N)cnc2ccc(OCC(F)(F)F)cc21 ZINC000584881955 344996221 /nfs/dbraw/zinc/99/62/21/344996221.db2.gz IDAQIWDPNQGOBI-UHFFFAOYSA-N 0 3 271.242 2.222 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000054073102 362509182 /nfs/dbraw/zinc/50/91/82/362509182.db2.gz GGVVVRZKBHXHFD-DTWKUNHWSA-N 0 3 272.295 2.073 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(N)=O)SCc1ccco1 ZINC000084313931 178857279 /nfs/dbraw/zinc/85/72/79/178857279.db2.gz OVHIMVKEGOXZQD-QMTHXVAHSA-N 0 3 282.409 2.287 10 0 CEAEHN CCc1cc(C[C@@H](NC)c2cccnc2OC)n(CC)n1 ZINC000097279919 185578043 /nfs/dbraw/zinc/57/80/43/185578043.db2.gz MMYJJFCQDNQHIF-OAHLLOKOSA-N 0 3 288.395 2.372 10 0 CEAEHN CCN[C@@H](c1ccnn1C)[C@@H]1CCc2cccnc21 ZINC000097305112 185582117 /nfs/dbraw/zinc/58/21/17/185582117.db2.gz BQRBNZIQZOLATO-IUODEOHRSA-N 0 3 256.353 2.196 10 0 CEAEHN N[C@@H](c1cnnn1-c1ccccc1)[C@H]1CCSC1 ZINC000097423631 185600203 /nfs/dbraw/zinc/60/02/03/185600203.db2.gz BMXFWVUCJNSRKE-GXFFZTMASA-N 0 3 260.366 2.020 10 0 CEAEHN CC[C@@](C)([C@H](CCc1ccc(OC)cc1)NN)N(C)C ZINC000097582875 185631047 /nfs/dbraw/zinc/63/10/47/185631047.db2.gz PYVVSBYWKQEOMC-HOTGVXAUSA-N 0 3 279.428 2.190 10 0 CEAEHN NC1(c2ncc(I)s2)CCCC1 ZINC000085352000 179029948 /nfs/dbraw/zinc/02/99/48/179029948.db2.gz HMMSWRJXKQLFNC-UHFFFAOYSA-N 0 3 294.161 2.476 10 0 CEAEHN CCC[C@@H]1CN[C@H](c2ccccc2)CN1CCOC ZINC000085505993 179085046 /nfs/dbraw/zinc/08/50/46/179085046.db2.gz ASBJMDMDNXXWOQ-CVEARBPZSA-N 0 3 262.397 2.448 10 0 CEAEHN CCn1cc(CN2C[C@@H](c3ccccc3)NC[C@@H]2C)cn1 ZINC000085504698 179085050 /nfs/dbraw/zinc/08/50/50/179085050.db2.gz DHMYLFVFQNJLHS-YOEHRIQHSA-N 0 3 284.407 2.438 10 0 CEAEHN CC[C@@H]1CN[C@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085505593 179084354 /nfs/dbraw/zinc/08/43/54/179084354.db2.gz GJOKGJCBYLONQU-SJORKVTESA-N 0 3 284.407 2.345 10 0 CEAEHN C[C@@H](N[C@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N1CCCCC1 ZINC000085674792 179111705 /nfs/dbraw/zinc/11/17/05/179111705.db2.gz NUMXMOFVNXPASS-QPSCCSFWSA-N 0 3 294.439 2.181 10 0 CEAEHN Cc1nccc(CN[C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000085674991 179111737 /nfs/dbraw/zinc/11/17/37/179111737.db2.gz LGXYNNLBZXGCGD-IHRRRGAJSA-N 0 3 261.369 2.078 10 0 CEAEHN CN1CCN(CCNCc2cccnc2)c2ccccc21 ZINC000111463771 136562557 /nfs/dbraw/zinc/56/25/57/136562557.db2.gz XLFBBFPCUFYTRK-UHFFFAOYSA-N 0 3 282.391 2.128 10 0 CEAEHN CCN(C)CCNc1nc(Cl)ncc1Br ZINC000085787916 179171448 /nfs/dbraw/zinc/17/14/48/179171448.db2.gz BQHURJGUBSHIHC-UHFFFAOYSA-N 0 3 293.596 2.256 10 0 CEAEHN CCCc1ccc([C@H](NC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020571 179217780 /nfs/dbraw/zinc/21/77/80/179217780.db2.gz VIDCAWFXIZBAIH-GJZGRUSLSA-N 0 3 281.421 2.334 10 0 CEAEHN CCN[C@H](c1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086020893 179218028 /nfs/dbraw/zinc/21/80/28/179218028.db2.gz AVKZIIHLEGRHCL-PWSUYJOCSA-N 0 3 273.423 2.142 10 0 CEAEHN CCN[C@H](c1sccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086022280 179219036 /nfs/dbraw/zinc/21/90/36/179219036.db2.gz IHSHNEAJCFPUBB-QWRGUYRKSA-N 0 3 273.423 2.142 10 0 CEAEHN c1csc(CN2CCN[C@@H](c3ccccc3)C2)n1 ZINC000086144209 179237448 /nfs/dbraw/zinc/23/74/48/179237448.db2.gz WIBMGZAUVJAUHI-CYBMUJFWSA-N 0 3 259.378 2.290 10 0 CEAEHN CC(C)(C)c1ncc(CNC[C@H]2CCCC[C@H]2O)cn1 ZINC000336829123 365892486 /nfs/dbraw/zinc/89/24/86/365892486.db2.gz GLRWKYTUHRYORG-ZIAGYGMSSA-N 0 3 277.412 2.415 10 0 CEAEHN C[C@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265142 179261057 /nfs/dbraw/zinc/26/10/57/179261057.db2.gz JHLLOCYGLFVGCH-IMJJTQAJSA-N 0 3 260.381 2.200 10 0 CEAEHN CN1CCC[C@@H](NCc2ccc3ccccc3n2)C1 ZINC000086317576 179270359 /nfs/dbraw/zinc/27/03/59/179270359.db2.gz AYUNBODWKFTHSB-OAHLLOKOSA-N 0 3 255.365 2.419 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)[C@@H](CC)CN1 ZINC000086447445 179295818 /nfs/dbraw/zinc/29/58/18/179295818.db2.gz KRULSTGKVMBQQJ-GJZGRUSLSA-N 0 3 288.391 2.224 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(C)c2O)[C@@H](CC)CN1 ZINC000086445986 179294651 /nfs/dbraw/zinc/29/46/51/179294651.db2.gz PQLAMFVHDIAWFR-OLZOCXBDSA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc(Cl)cn2)[C@@H](CC)CN1 ZINC000086446650 179294725 /nfs/dbraw/zinc/29/47/25/179294725.db2.gz MFCBFOYJUCFBGY-RYUDHWBXSA-N 0 3 281.787 2.338 10 0 CEAEHN Cc1nc(Sc2cc(CN)ccn2)nc(C)c1C ZINC000086644091 179315996 /nfs/dbraw/zinc/31/59/96/179315996.db2.gz HBHMGRYZGKFWDK-UHFFFAOYSA-N 0 3 260.366 2.407 10 0 CEAEHN COC[C@H](NCc1[nH]nnc1-c1ccccc1)C(C)C ZINC000086696570 179320997 /nfs/dbraw/zinc/32/09/97/179320997.db2.gz ZUQHMNAHOYNWPX-AWEZNQCLSA-N 0 3 274.368 2.232 10 0 CEAEHN COC(OC)[C@H](N)Cc1cc(F)cc(Br)c1 ZINC000086696432 179321136 /nfs/dbraw/zinc/32/11/36/179321136.db2.gz GEDPFFXFQVFKHO-SNVBAGLBSA-N 0 3 292.148 2.077 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1 ZINC000086670695 179316933 /nfs/dbraw/zinc/31/69/33/179316933.db2.gz HRDDXSZCZAOLHD-KGLIPLIRSA-N 0 3 267.394 2.050 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@@H]1NCCCc1ccccc1 ZINC000086671055 179318039 /nfs/dbraw/zinc/31/80/39/179318039.db2.gz ZHHZOEDFBNLKQG-GJZGRUSLSA-N 0 3 281.421 2.175 10 0 CEAEHN COC[C@H](N[C@H](C)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000086695551 179320406 /nfs/dbraw/zinc/32/04/06/179320406.db2.gz OAZYJILVIACKFQ-RISCZKNCSA-N 0 3 292.379 2.339 10 0 CEAEHN CO[C@H](C)[C@@H](C)N[C@@H](CN(C)C)c1ccccc1 ZINC000128700372 187384792 /nfs/dbraw/zinc/38/47/92/187384792.db2.gz INJXGDOURXYGEL-NFAWXSAZSA-N 0 3 250.386 2.302 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868696 179362736 /nfs/dbraw/zinc/36/27/36/179362736.db2.gz NBCXZIQGQCWCCG-CQSZACIVSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868696 179362738 /nfs/dbraw/zinc/36/27/38/179362738.db2.gz NBCXZIQGQCWCCG-CQSZACIVSA-N 0 3 268.401 2.046 10 0 CEAEHN CCN1CCC[C@](NC2CCCCC2)(C(=O)OC)CC1 ZINC000086850418 179358623 /nfs/dbraw/zinc/35/86/23/179358623.db2.gz YVIBSRRBVXYQRM-MRXNPFEDSA-N 0 3 282.428 2.326 10 0 CEAEHN CC(C)N1CCC[C@](N)(c2noc(C(F)(F)F)n2)CC1 ZINC000086851784 179359090 /nfs/dbraw/zinc/35/90/90/179359090.db2.gz TZACBUCMEYNLLD-LLVKDONJSA-N 0 3 292.305 2.137 10 0 CEAEHN CCCn1cc([C@H](N)[C@@H]2CSCCS2)cn1 ZINC000086984263 179373820 /nfs/dbraw/zinc/37/38/20/179373820.db2.gz IPEPAJLBOKNQQJ-QWRGUYRKSA-N 0 3 257.428 2.142 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)NCC1(O)CCC(C)CC1 ZINC000087061906 179389374 /nfs/dbraw/zinc/38/93/74/179389374.db2.gz XGLQNOZWCJOWCQ-MFOWVQHXSA-N 0 3 284.444 2.211 10 0 CEAEHN Cc1ccc(NC(=O)CNCC2(O)CCC(C)CC2)cc1 ZINC000087061893 179389487 /nfs/dbraw/zinc/38/94/87/179389487.db2.gz LQQVHINTIILEAQ-UHFFFAOYSA-N 0 3 290.407 2.464 10 0 CEAEHN C[C@H]1CCC[C@@](O)(CNCC(=O)Nc2cccc(F)c2)C1 ZINC000087064345 179389910 /nfs/dbraw/zinc/38/99/10/179389910.db2.gz GOFUPOJWVJPOGE-LRDDRELGSA-N 0 3 294.370 2.295 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)NCC1(O)CCC(C)(C)CC1 ZINC000087063792 179390103 /nfs/dbraw/zinc/39/01/03/179390103.db2.gz UMFXWVNUHIYUTM-ZDUSSCGKSA-N 0 3 284.444 2.164 10 0 CEAEHN C[C@H]1CCC[C@](O)(CNCC(=O)Nc2ccc(F)cc2)C1 ZINC000087064332 179390324 /nfs/dbraw/zinc/39/03/24/179390324.db2.gz OAMHVGVOMKUPCK-BLLLJJGKSA-N 0 3 294.370 2.295 10 0 CEAEHN C[C@@H]1CCC[C@@](N)(C(=O)NCC2(O)CCC(C)(C)CC2)C1 ZINC000087068910 179391513 /nfs/dbraw/zinc/39/15/13/179391513.db2.gz NQEWNPRGRKLKAK-DYVFJYSZSA-N 0 3 296.455 2.342 10 0 CEAEHN CNCc1cc(Br)ccc1O[C@H](C)[C@@H](C)O ZINC000087125410 179395901 /nfs/dbraw/zinc/39/59/01/179395901.db2.gz AGPZQBBECGAYRB-RKDXNWHRSA-N 0 3 288.185 2.317 10 0 CEAEHN CNCc1cccc(Br)c1O[C@@H](C)[C@@H](C)O ZINC000087125555 179396345 /nfs/dbraw/zinc/39/63/45/179396345.db2.gz VNGSFFKVMARKNU-BDAKNGLRSA-N 0 3 288.185 2.317 10 0 CEAEHN CC(C)(C)N1CCN[C@H](c2ccc3nnccc3c2)C1 ZINC000616634826 348541842 /nfs/dbraw/zinc/54/18/42/348541842.db2.gz ZWHAWFYSSVDKFJ-HNNXBMFYSA-N 0 3 270.380 2.375 10 0 CEAEHN NC[C@H](NCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000087929648 179525221 /nfs/dbraw/zinc/52/52/21/179525221.db2.gz KHTUPSWGRLTOBS-VIFPVBQESA-N 0 3 254.202 2.117 10 0 CEAEHN CCN1CCCO[C@@H](c2ccc3nnccc3c2)C1 ZINC000616652173 348548575 /nfs/dbraw/zinc/54/85/75/348548575.db2.gz DTBHAVKLZGEIGU-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN COc1ccc(C(=O)OC(C)(C)C)c2c1CNCC2 ZINC000616577825 348525395 /nfs/dbraw/zinc/52/53/95/348525395.db2.gz MVQBZUPIGVKBRV-UHFFFAOYSA-N 0 3 263.337 2.296 10 0 CEAEHN OCCN1CCO[C@H](c2ccc(Cl)cc2)CC1 ZINC000616593190 348527577 /nfs/dbraw/zinc/52/75/77/348527577.db2.gz JTUGESRWORUOLS-ZDUSSCGKSA-N 0 3 255.745 2.096 10 0 CEAEHN OCCN1CCO[C@@H](c2cccc(Cl)c2)CC1 ZINC000616595647 348528172 /nfs/dbraw/zinc/52/81/72/348528172.db2.gz OFFKFGQZGMHGSF-CYBMUJFWSA-N 0 3 255.745 2.096 10 0 CEAEHN CC(=O)Nc1ccccc1[C@H]1COCCN(C(C)C)C1 ZINC000616593427 348528428 /nfs/dbraw/zinc/52/84/28/348528428.db2.gz KONRWKSNYOECSX-CQSZACIVSA-N 0 3 276.380 2.469 10 0 CEAEHN CCN1CCO[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616593401 348528516 /nfs/dbraw/zinc/52/85/16/348528516.db2.gz JVNRSPVQFFGOCT-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(C)N1CCOC[C@H](c2cnnc3ccccc32)C1 ZINC000616596144 348529620 /nfs/dbraw/zinc/52/96/20/348529620.db2.gz ZKPRVIHRUWDGFG-CYBMUJFWSA-N 0 3 271.364 2.454 10 0 CEAEHN CC(=O)Nc1ccc([C@@H]2CCCCN2CCO)cc1 ZINC000616616097 348534746 /nfs/dbraw/zinc/53/47/46/348534746.db2.gz GKRIQKGRDZTAEB-HNNXBMFYSA-N 0 3 262.353 2.164 10 0 CEAEHN CN[C@@H](c1c(C)ccnc1N)[C@@H]1COc2ccccc2C1 ZINC000088021182 179536690 /nfs/dbraw/zinc/53/66/90/179536690.db2.gz NNPVNLIDXASRBM-XJKSGUPXSA-N 0 3 283.375 2.484 10 0 CEAEHN CCOC(=O)C[C@](C)(CCC(C)C)N1CCN(C)CC1 ZINC000088046041 179539900 /nfs/dbraw/zinc/53/99/00/179539900.db2.gz VTOQGPYAMWBTEB-INIZCTEOSA-N 0 3 284.444 2.382 10 0 CEAEHN Nc1cccc([C@@H]2c3ccccc3CCN2CCO)c1 ZINC000616678817 348558360 /nfs/dbraw/zinc/55/83/60/348558360.db2.gz MNNNMPJTMXCKDS-QGZVFWFLSA-N 0 3 268.360 2.209 10 0 CEAEHN OCCc1ccccc1[C@H]1NCCc2ccccc21 ZINC000616681248 348559039 /nfs/dbraw/zinc/55/90/39/348559039.db2.gz XJMKZCCWAZXNKV-KRWDZBQOSA-N 0 3 253.345 2.457 10 0 CEAEHN CCOc1ccccc1OCCn1ncc(CNC)c1C ZINC000088415376 179595079 /nfs/dbraw/zinc/59/50/79/179595079.db2.gz NZVUEXODEOFZSR-UHFFFAOYSA-N 0 3 289.379 2.389 10 0 CEAEHN CCN[C@@H](Cc1ncnn1CC)c1ccccc1OC ZINC000088609863 179637361 /nfs/dbraw/zinc/63/73/61/179637361.db2.gz GHYJVTZIEFNUHE-ZDUSSCGKSA-N 0 3 274.368 2.200 10 0 CEAEHN Cc1c(CN)cccc1S(=O)(=O)N(C)CC(C)(C)C ZINC000089013689 179691041 /nfs/dbraw/zinc/69/10/41/179691041.db2.gz SDPRYXPXRQGGPH-UHFFFAOYSA-N 0 3 284.425 2.120 10 0 CEAEHN CCCNCCS(=O)(=O)N(C)c1ccc(CC)cc1 ZINC000089014970 179691658 /nfs/dbraw/zinc/69/16/58/179691658.db2.gz PUPMTIUYJYLBJD-UHFFFAOYSA-N 0 3 284.425 2.015 10 0 CEAEHN CCCC[C@H](C)NS(=O)(=O)c1ccc(C)c(CN)c1 ZINC000089022633 179691750 /nfs/dbraw/zinc/69/17/50/179691750.db2.gz HWNCOKOAWAXQBZ-LBPRGKRZSA-N 0 3 284.425 2.311 10 0 CEAEHN CCC[C@H]1C[C@H]1NC(=O)c1cccc2c1CCNC2 ZINC000233392583 539668874 /nfs/dbraw/zinc/66/88/74/539668874.db2.gz PYHVGDZVNHWXHG-XHDPSFHLSA-N 0 3 258.365 2.251 10 0 CEAEHN CC(C)n1c2ccc(F)cc2nc1[C@]1(C)COC[C@@H]1N ZINC000090571724 180007272 /nfs/dbraw/zinc/00/72/72/180007272.db2.gz AJNLVORXSKUDII-DZGCQCFKSA-N 0 3 277.343 2.372 10 0 CEAEHN C[C@]1(c2nc3ccccc3n2CC(F)(F)F)COC[C@@H]1N ZINC000090571872 180007297 /nfs/dbraw/zinc/00/72/97/180007297.db2.gz ANIZLJZNXUEKIJ-AAEUAGOBSA-N 0 3 299.296 2.214 10 0 CEAEHN CCCn1c2ccc(C)cc2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571697 180007721 /nfs/dbraw/zinc/00/77/21/180007721.db2.gz LPGHYFYKFHVKAO-HOCLYGCPSA-N 0 3 273.380 2.370 10 0 CEAEHN CC(C)(c1noc([C@@]2(C)COC[C@@H]2N)n1)c1ccccc1 ZINC000090573797 180008053 /nfs/dbraw/zinc/00/80/53/180008053.db2.gz VZGSDLKVTJQLPD-LRDDRELGSA-N 0 3 287.363 2.011 10 0 CEAEHN C[C@@]1(c2nc(C3CCCCCC3)no2)COC[C@@H]1N ZINC000090574156 180008346 /nfs/dbraw/zinc/00/83/46/180008346.db2.gz MTXHZTBAOKLVGT-SMDDNHRTSA-N 0 3 265.357 2.123 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)c1cccc(F)c1 ZINC000090699847 180027664 /nfs/dbraw/zinc/02/76/64/180027664.db2.gz IGIVCAWZRWETGH-AWEZNQCLSA-N 0 3 296.411 2.335 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)c1ccccc1 ZINC000090699803 180027755 /nfs/dbraw/zinc/02/77/55/180027755.db2.gz QGPHDDXYEFFUGP-AWEZNQCLSA-N 0 3 278.421 2.196 10 0 CEAEHN CCCOCCOc1ncccc1CNC(C)C ZINC000104445987 186005140 /nfs/dbraw/zinc/00/51/40/186005140.db2.gz ZUBHKWKKUMJDJO-UHFFFAOYSA-N 0 3 252.358 2.385 10 0 CEAEHN COc1ccc([C@H](C)NC[C@H](C)[S@](C)=O)cc1 ZINC000090843426 180044037 /nfs/dbraw/zinc/04/40/37/180044037.db2.gz CFSRQQAITAUHKH-PSVSLLHZSA-N 0 3 255.383 2.113 10 0 CEAEHN C[C@H](CN[C@@H]1CCCc2ccccc21)[S@](C)=O ZINC000090842546 180044620 /nfs/dbraw/zinc/04/46/20/180044620.db2.gz OPNSQTFOXDXNAR-JDSLSITLSA-N 0 3 251.395 2.421 10 0 CEAEHN Cc1ccc(CNC[C@@H]2Cc3ccccc3O2)cn1 ZINC000090874606 180050840 /nfs/dbraw/zinc/05/08/40/180050840.db2.gz VJIJUKYTYHSAHS-HNNXBMFYSA-N 0 3 254.333 2.483 10 0 CEAEHN COC(=O)C[C@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090876767 180051807 /nfs/dbraw/zinc/05/18/07/180051807.db2.gz NAHXPKPFWRRART-CABCVRRESA-N 0 3 289.375 2.408 10 0 CEAEHN COc1ncccc1CNC[C@H]1Cc2cc(F)ccc2O1 ZINC000090892208 180054175 /nfs/dbraw/zinc/05/41/75/180054175.db2.gz ZPDIJIPQJSXOJA-CQSZACIVSA-N 0 3 288.322 2.323 10 0 CEAEHN COc1ccc(CNC[C@@H]2Cc3cc(F)ccc3O2)cn1 ZINC000090892747 180055455 /nfs/dbraw/zinc/05/54/55/180055455.db2.gz IWKLIHQPBMKGNE-AWEZNQCLSA-N 0 3 288.322 2.323 10 0 CEAEHN CCNCc1ccn(C[C@@H]2Cc3cc(C)ccc3O2)n1 ZINC000090901943 180059844 /nfs/dbraw/zinc/05/98/44/180059844.db2.gz ZIPHTGFQHAROSB-HNNXBMFYSA-N 0 3 271.364 2.305 10 0 CEAEHN Cn1cc(CNC[C@H]2Cc3cc(Cl)ccc3O2)cn1 ZINC000090903908 180060519 /nfs/dbraw/zinc/06/05/19/180060519.db2.gz LINPFDZVXBOMBL-CYBMUJFWSA-N 0 3 277.755 2.167 10 0 CEAEHN NC[C@@H](c1ccc2ncccc2c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905931 180060715 /nfs/dbraw/zinc/06/07/15/180060715.db2.gz LVYRTLUMQIQPOF-UXLLHSPISA-N 0 3 283.375 2.098 10 0 CEAEHN CCCOc1ccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905938 180061379 /nfs/dbraw/zinc/06/13/79/180061379.db2.gz YNPRRHQHZNDZBM-IXDOHACOSA-N 0 3 290.407 2.338 10 0 CEAEHN CN[C@@H]1CCCc2sc(N3C[C@H]4CC[C@@H](C3)O4)nc21 ZINC000090908131 180062254 /nfs/dbraw/zinc/06/22/54/180062254.db2.gz MEJKEELJTFEJHJ-OUAUKWLOSA-N 0 3 279.409 2.108 10 0 CEAEHN Nc1ccccc1CN[C@H]1CCC[C@@H]1n1ccnc1 ZINC000090961940 180076409 /nfs/dbraw/zinc/07/64/09/180076409.db2.gz DCGGDHLBLQQWJY-GJZGRUSLSA-N 0 3 256.353 2.349 10 0 CEAEHN CC(=O)Nc1ccsc1CNC[C@@H]1CCCC[C@H]1O ZINC000090960826 180076487 /nfs/dbraw/zinc/07/64/87/180076487.db2.gz JKQJGQATKDGHGJ-WCQYABFASA-N 0 3 282.409 2.347 10 0 CEAEHN C[C@@H](NC[C@H]1Cc2ccccc21)C(=O)N1CCCCC1 ZINC000090992206 180081464 /nfs/dbraw/zinc/08/14/64/180081464.db2.gz AFEHHQCCUZWPHD-UKRRQHHQSA-N 0 3 272.392 2.317 10 0 CEAEHN CCCCOCCn1ccc(CNCCOC)c1 ZINC000091004661 180084057 /nfs/dbraw/zinc/08/40/57/180084057.db2.gz KPPIYYUPZPIJHK-UHFFFAOYSA-N 0 3 254.374 2.041 10 0 CEAEHN CCCn1ccc(CNCCC(=O)N[C@@H](C)CC)c1 ZINC000091012626 180085864 /nfs/dbraw/zinc/08/58/64/180085864.db2.gz MIVPKEZORWGURZ-ZDUSSCGKSA-N 0 3 265.401 2.293 10 0 CEAEHN CCn1cccc1CNC[C@@H](c1ccco1)N(C)C ZINC000091022746 180088655 /nfs/dbraw/zinc/08/86/55/180088655.db2.gz MNUDHAOQLOYUFY-AWEZNQCLSA-N 0 3 261.369 2.494 10 0 CEAEHN CCn1cccc1CN[C@@H]1CCCc2c1cnn2C ZINC000091024648 180089565 /nfs/dbraw/zinc/08/95/65/180089565.db2.gz LHUDOAFQOIFLQV-CQSZACIVSA-N 0 3 258.369 2.409 10 0 CEAEHN C[C@H](OC(=O)C[C@H]1CSCCN1)c1ccccc1 ZINC000091129960 180101219 /nfs/dbraw/zinc/10/12/19/180101219.db2.gz SRPBTGARHVJFKT-AAEUAGOBSA-N 0 3 265.378 2.386 10 0 CEAEHN CCc1c(CNC)cnn1-c1ccc(Br)cn1 ZINC000091339901 180136263 /nfs/dbraw/zinc/13/62/63/180136263.db2.gz YTPFVYCJEYPNRZ-UHFFFAOYSA-N 0 3 295.184 2.312 10 0 CEAEHN CCc1c(CNCCOC)cnn1-c1ccc(C)cc1 ZINC000091335275 180136482 /nfs/dbraw/zinc/13/64/82/180136482.db2.gz HYTJMTFYUAMAOX-UHFFFAOYSA-N 0 3 273.380 2.479 10 0 CEAEHN CNCc1cnn(-c2ccccc2OC)c1C1CC1 ZINC000091338674 180136692 /nfs/dbraw/zinc/13/66/92/180136692.db2.gz UUPQQVGSYFGIFG-UHFFFAOYSA-N 0 3 257.337 2.478 10 0 CEAEHN Cc1nn(C)c(SC[C@@H](C)CO)c1CNCC(C)C ZINC000091259796 180116153 /nfs/dbraw/zinc/11/61/53/180116153.db2.gz DDGSZOUICIGFOK-NSHDSACASA-N 0 3 285.457 2.195 10 0 CEAEHN CCN[C@H](CC(=O)OCC)c1cncn1C(C)C ZINC000091274088 180119131 /nfs/dbraw/zinc/11/91/31/180119131.db2.gz FSXBZONVGVSFQN-LLVKDONJSA-N 0 3 253.346 2.068 10 0 CEAEHN C[C@@H]1CCCN([C@@H](CN)c2cncn2C2CC2)CC1 ZINC000091276563 180120080 /nfs/dbraw/zinc/12/00/80/180120080.db2.gz IHZZGBRLCSZELG-OCCSQVGLSA-N 0 3 262.401 2.340 10 0 CEAEHN CC[C@@H](C)CN(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276239 180120331 /nfs/dbraw/zinc/12/03/31/180120331.db2.gz QKZVQODYIMYQGN-YPMHNXCESA-N 0 3 250.390 2.196 10 0 CEAEHN CCCn1c(C[C@@H]2CNCCO2)nc2cc(C)ccc21 ZINC000091293197 180124058 /nfs/dbraw/zinc/12/40/58/180124058.db2.gz FIXZHIAWWMHZMR-CYBMUJFWSA-N 0 3 273.380 2.286 10 0 CEAEHN CCCn1c(C[C@H]2CNCCO2)nc2cc(F)ccc21 ZINC000091293216 180124319 /nfs/dbraw/zinc/12/43/19/180124319.db2.gz AJDBXWBFXRVTFK-LBPRGKRZSA-N 0 3 277.343 2.116 10 0 CEAEHN C[C@@H](N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccncc1 ZINC000091437270 180155132 /nfs/dbraw/zinc/15/51/32/180155132.db2.gz XRGCLWWDSXMYMP-XBFCOCLRSA-N 0 3 282.409 2.088 10 0 CEAEHN NCc1ccccc1NC(=O)c1ccncc1Cl ZINC000091457082 180160437 /nfs/dbraw/zinc/16/04/37/180160437.db2.gz HGZUDKNZGZYXFF-UHFFFAOYSA-N 0 3 261.712 2.446 10 0 CEAEHN COc1ccc(C(=O)[C@H](C)N2CCC[C@H](N(C)C)C2)cc1 ZINC000091394263 180145674 /nfs/dbraw/zinc/14/56/74/180145674.db2.gz YXUIOGDTNVSAAO-ZFWWWQNUSA-N 0 3 290.407 2.292 10 0 CEAEHN CC(C)N(Cc1cccs1)c1cncc(CN)n1 ZINC000091420504 180150510 /nfs/dbraw/zinc/15/05/10/180150510.db2.gz LGIBXHXOQJUAMM-UHFFFAOYSA-N 0 3 262.382 2.412 10 0 CEAEHN CCC(CC)CN(CC)c1cncc(CNC)n1 ZINC000091420252 180150795 /nfs/dbraw/zinc/15/07/95/180150795.db2.gz QMOINQOEGWNQTN-UHFFFAOYSA-N 0 3 250.390 2.459 10 0 CEAEHN CCN(c1cncc(CNC(C)(C)C)n1)[C@H](C)COC ZINC000091419852 180150832 /nfs/dbraw/zinc/15/08/32/180150832.db2.gz JJQHJROKQYCCIM-GFCCVEGCSA-N 0 3 280.416 2.226 10 0 CEAEHN CNCc1cncc(N(CC(C)C)CC(C)C)n1 ZINC000091419728 180150964 /nfs/dbraw/zinc/15/09/64/180150964.db2.gz ZKUADPKYMMARNT-UHFFFAOYSA-N 0 3 250.390 2.314 10 0 CEAEHN CC[C@@H](C)N(C)c1cncc(CNCC(C)C)n1 ZINC000091419059 180150994 /nfs/dbraw/zinc/15/09/94/180150994.db2.gz HTOFJFZHMXJXFR-GFCCVEGCSA-N 0 3 250.390 2.457 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](N(C)C)C2)o1 ZINC000105087007 186041182 /nfs/dbraw/zinc/04/11/82/186041182.db2.gz WTDGMGVMLGARLE-CHWSQXEVSA-N 0 3 279.384 2.385 10 0 CEAEHN Cc1ccc(F)c([C@@H](N)C(C)(C)N2CCOCC2)c1 ZINC000091566318 180194067 /nfs/dbraw/zinc/19/40/67/180194067.db2.gz KLAKIUUUWFIALV-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN CCCC1CCC(N[C@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000105101790 186041749 /nfs/dbraw/zinc/04/17/49/186041749.db2.gz HTBGPXOLOKTTAG-RUXDESIVSA-N 0 3 280.412 2.471 10 0 CEAEHN CC(C)c1nn(C)c(NC[C@H]2CCCCN2C)c1N ZINC000091580892 180198698 /nfs/dbraw/zinc/19/86/98/180198698.db2.gz JXHWDLZRBGZCMJ-LLVKDONJSA-N 0 3 265.405 2.022 10 0 CEAEHN CC[C@](C)([C@H](N)c1cccc(OC)c1)N1CCOCC1 ZINC000091611690 180206748 /nfs/dbraw/zinc/20/67/48/180206748.db2.gz JKLUNDRWURJEKC-HZPDHXFCSA-N 0 3 278.396 2.196 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccc(OC)c(F)c1)N1CCOCC1 ZINC000091612164 180207147 /nfs/dbraw/zinc/20/71/47/180207147.db2.gz HYVCNWFLJVRDSB-JKSUJKDBSA-N 0 3 296.386 2.335 10 0 CEAEHN CCCN[C@@H](c1cnccn1)[C@@](C)(CC)N1CCOCC1 ZINC000091613097 180208179 /nfs/dbraw/zinc/20/81/79/180208179.db2.gz IEUSQAMPKPUTIC-JKSUJKDBSA-N 0 3 292.427 2.018 10 0 CEAEHN Cc1cc(F)cc(N[C@]2(CO)CCN(C3CC3)C2)c1 ZINC000091517825 180177425 /nfs/dbraw/zinc/17/74/25/180177425.db2.gz UUXKFXKDMWQEHQ-OAHLLOKOSA-N 0 3 264.344 2.145 10 0 CEAEHN COc1ccc([C@H](C)NCC2CC(O)C2)c(OC)c1 ZINC000091524945 180178701 /nfs/dbraw/zinc/17/87/01/180178701.db2.gz JVRGOYTVJMYMMC-UNXYVOJBSA-N 0 3 265.353 2.125 10 0 CEAEHN CCCn1nccc1[C@@H](NCC)C(C)(C)N(C)C ZINC000091529023 180180258 /nfs/dbraw/zinc/18/02/58/180180258.db2.gz VCNBMGCFUNFNBD-CYBMUJFWSA-N 0 3 252.406 2.284 10 0 CEAEHN CN[C@H](c1cccc(F)c1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721415 180239227 /nfs/dbraw/zinc/23/92/27/180239227.db2.gz FPMCLFUBTFQLJM-WDBKCZKBSA-N 0 3 282.334 2.089 10 0 CEAEHN N[C@H](c1ccsc1)C1(N2CCOCC2)CCCC1 ZINC000091642853 180213991 /nfs/dbraw/zinc/21/39/91/180213991.db2.gz MYKOKJUBLRNJPD-CYBMUJFWSA-N 0 3 266.410 2.393 10 0 CEAEHN CCCn1ncnc1CC(=O)C1(N(C)C)CCCCC1 ZINC000091646579 180215835 /nfs/dbraw/zinc/21/58/35/180215835.db2.gz DAXQSFNUUYCAOG-UHFFFAOYSA-N 0 3 278.400 2.064 10 0 CEAEHN CN[C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717603 180232562 /nfs/dbraw/zinc/23/25/62/180232562.db2.gz RZPMPTUDQWIRFW-HOTGVXAUSA-N 0 3 278.396 2.065 10 0 CEAEHN CN[C@@H](c1ccccc1C(F)(F)F)[C@@H]1CN(C)CCO1 ZINC000091717726 180232671 /nfs/dbraw/zinc/23/26/71/180232671.db2.gz YMXOENWVMLLFDP-STQMWFEESA-N 0 3 288.313 2.297 10 0 CEAEHN CCN[C@H](c1ccc(OC(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091718321 180233817 /nfs/dbraw/zinc/23/38/17/180233817.db2.gz XCIBQDMMNGMJPG-IAGOWNOFSA-N 0 3 292.423 2.455 10 0 CEAEHN CCCN[C@H](c1ccc(OCC)cc1)[C@H]1CN(C)CCO1 ZINC000091719089 180234305 /nfs/dbraw/zinc/23/43/05/180234305.db2.gz LXOPXURFXIYDOU-IAGOWNOFSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@H](c1csc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719463 180234459 /nfs/dbraw/zinc/23/44/59/180234459.db2.gz QWBKGDCYEUXRGQ-UONOGXRCSA-N 0 3 268.426 2.428 10 0 CEAEHN CC(C)Oc1ccc([C@H](N)[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720274 180235069 /nfs/dbraw/zinc/23/50/69/180235069.db2.gz HNRFPSSRJRWJNL-PVAVHDDUSA-N 0 3 290.407 2.337 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccc(OC(F)F)cc1 ZINC000624235574 350239658 /nfs/dbraw/zinc/23/96/58/350239658.db2.gz MOKBDUBWTBRKAT-BIMULSAOSA-N 0 3 287.306 2.088 10 0 CEAEHN C[C@H]1C[C@H](N[C@@H]2CCOC[C@@H]2O)c2ccsc2S1 ZINC000624236925 350240368 /nfs/dbraw/zinc/24/03/68/350240368.db2.gz MUTBEKIUWVWQTH-IELRGYKMSA-N 0 3 285.434 2.413 10 0 CEAEHN CCN1CCC([N@H+](C)[C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091781883 180253309 /nfs/dbraw/zinc/25/33/09/180253309.db2.gz YRSMZKKOOXFQIZ-LLVKDONJSA-N 0 3 280.368 2.455 10 0 CEAEHN CCN1CCC([N@@H+](C)[C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091781883 180253311 /nfs/dbraw/zinc/25/33/11/180253311.db2.gz YRSMZKKOOXFQIZ-LLVKDONJSA-N 0 3 280.368 2.455 10 0 CEAEHN COC(=O)c1ccc([C@H](C)N(C)[C@@H]2CCCN(C)C2)o1 ZINC000091782209 180253606 /nfs/dbraw/zinc/25/36/06/180253606.db2.gz NLECURJNQGAOTC-NWDGAFQWSA-N 0 3 280.368 2.153 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721875 180239822 /nfs/dbraw/zinc/23/98/22/180239822.db2.gz FAKKIXJBHDYSRR-BZUAXINKSA-N 0 3 278.371 2.340 10 0 CEAEHN Cc1cc2ncc([C@H](C)N[C@@H](C)[C@@H](C)CO)c(C)n2n1 ZINC000091727246 180243015 /nfs/dbraw/zinc/24/30/15/180243015.db2.gz YFDFHLGZMVYRMO-DLOVCJGASA-N 0 3 276.384 2.014 10 0 CEAEHN CCOc1ccc(NC(=O)N(C)CC)cc1CN ZINC000091993181 180300582 /nfs/dbraw/zinc/30/05/82/180300582.db2.gz LSWWRNFVWOKDRG-UHFFFAOYSA-N 0 3 251.330 2.028 10 0 CEAEHN CCNCc1nc(C)ccc1OCCOC(C)C ZINC000091994967 180300981 /nfs/dbraw/zinc/30/09/81/180300981.db2.gz AVJBUNOZIDXYRL-UHFFFAOYSA-N 0 3 252.358 2.303 10 0 CEAEHN CNCc1nc(C)ccc1O[C@@H]1CCCCC[C@@H]1O ZINC000091994223 180301110 /nfs/dbraw/zinc/30/11/10/180301110.db2.gz ZCKQYTDRADAUGR-DZGCQCFKSA-N 0 3 264.369 2.182 10 0 CEAEHN CNCc1nc(C)ccc1O[C@H]1CCC[C@H](OC)C1 ZINC000091994352 180301579 /nfs/dbraw/zinc/30/15/79/180301579.db2.gz RSJUEKHUHGDOPJ-STQMWFEESA-N 0 3 264.369 2.446 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000091994964 180301601 /nfs/dbraw/zinc/30/16/01/180301601.db2.gz RVOUOOGPOUJFQH-GFCCVEGCSA-N 0 3 293.411 2.182 10 0 CEAEHN Cc1cc(N)ccc1NC(=O)CN1C[C@@H](C)[C@H](C)C1 ZINC000092080679 180318298 /nfs/dbraw/zinc/31/82/98/180318298.db2.gz ZNRAWKCGIUCDKB-VXGBXAGGSA-N 0 3 261.369 2.104 10 0 CEAEHN COc1ccc(N)cc1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)C1 ZINC000092080533 180318760 /nfs/dbraw/zinc/31/87/60/180318760.db2.gz KQHBQYAOQOEZMM-SRVKXCTJSA-N 0 3 291.395 2.192 10 0 CEAEHN Cc1ccc(N)cc1NC(=O)[C@@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000092080565 180318986 /nfs/dbraw/zinc/31/89/86/180318986.db2.gz SHGXKJOFYDVFHA-FRRDWIJNSA-N 0 3 275.396 2.492 10 0 CEAEHN COc1cccc([C@H](CN)N2C[C@H](C)[C@@H](C)C2)c1OC ZINC000092082802 180319335 /nfs/dbraw/zinc/31/93/35/180319335.db2.gz OQNJSUNWGCTGTQ-OBJOEFQTSA-N 0 3 278.396 2.291 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)CN2C[C@H](C)[C@H](C)C2)c1 ZINC000092085139 180320847 /nfs/dbraw/zinc/32/08/47/180320847.db2.gz AJTWHMOXCKWQMW-ZOWXZIJZSA-N 0 3 278.396 2.291 10 0 CEAEHN CN[C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1cc(C)ccc1C ZINC000092094040 180323116 /nfs/dbraw/zinc/32/31/16/180323116.db2.gz FJUIFDZZUNRXEJ-VNHYZAJKSA-N 0 3 288.391 2.205 10 0 CEAEHN C[C@]1(NC[C@H]2CSc3ccccc32)CCS(=O)(=O)C1 ZINC000092275308 180356210 /nfs/dbraw/zinc/35/62/10/180356210.db2.gz JFHVUADXTJAJIU-FZMZJTMJSA-N 0 3 297.445 2.043 10 0 CEAEHN COCCNCc1cccn1C[C@@H]1COc2ccccc21 ZINC000092304843 180359956 /nfs/dbraw/zinc/35/99/56/180359956.db2.gz JNGBOYWDISAUOF-CQSZACIVSA-N 0 3 286.375 2.400 10 0 CEAEHN Cc1nc(C)n(C[C@H]2CCCN(C/C=C/Cl)C2)n1 ZINC000105920007 186091259 /nfs/dbraw/zinc/09/12/59/186091259.db2.gz OQMGDCPFPSUVBV-BPJJOFIESA-N 0 3 268.792 2.359 10 0 CEAEHN CSc1ccc(CN2CCO[C@H](CN(C)C)C2)cc1 ZINC000105926784 186092845 /nfs/dbraw/zinc/09/28/45/186092845.db2.gz HLUDOWVSHIZESA-CQSZACIVSA-N 0 3 280.437 2.171 10 0 CEAEHN O=C1C[C@H](NC[C@H]2CC=CCC2)C(=O)N1C1CCCC1 ZINC000106257894 186105703 /nfs/dbraw/zinc/10/57/03/186105703.db2.gz YQQSYFYWICHIQG-JSGCOSHPSA-N 0 3 276.380 2.002 10 0 CEAEHN CCCNc1cccc(CN(C)CCCOC)n1 ZINC000092370466 180369864 /nfs/dbraw/zinc/36/98/64/180369864.db2.gz ISBSFWMLOIXRFI-UHFFFAOYSA-N 0 3 251.374 2.372 10 0 CEAEHN CCCNc1cccc(CN2CCN(C)C(C)(C)C2)n1 ZINC000092370824 180370228 /nfs/dbraw/zinc/37/02/28/180370228.db2.gz RNLLIWXUZXZSHB-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CCc1ccc([C@@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000106388067 186112652 /nfs/dbraw/zinc/11/26/52/186112652.db2.gz BIZJMJQBNUGBDX-CJNGLKHVSA-N 0 3 262.397 2.230 10 0 CEAEHN COc1ccc2c(c1)[C@H](O)[C@@H](N1CCC(OC)CC1)CC2 ZINC000092387769 180374645 /nfs/dbraw/zinc/37/46/45/180374645.db2.gz FXJFKLDZRXRNNN-IRXDYDNUSA-N 0 3 291.391 2.154 10 0 CEAEHN CCCN[C@@H]1c2cc(OC)ccc2CC[C@H]1[S@](C)=O ZINC000092388999 180375223 /nfs/dbraw/zinc/37/52/23/180375223.db2.gz HUAQMFOKKIAREQ-SPYBWZPUSA-N 0 3 281.421 2.429 10 0 CEAEHN CCCNc1ccnc(CN(C)[C@@H](C)COC)c1 ZINC000092418392 180381335 /nfs/dbraw/zinc/38/13/35/180381335.db2.gz FJSYCBHSGIHNTD-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN CCNc1ccnc(CN2CCN(C)[C@@H](CC)C2)c1 ZINC000092419222 180382016 /nfs/dbraw/zinc/38/20/16/180382016.db2.gz MXWYJDYSAWAINN-HNNXBMFYSA-N 0 3 262.401 2.039 10 0 CEAEHN COCCCO[C@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092386733 180373825 /nfs/dbraw/zinc/37/38/25/180373825.db2.gz PEUYKWHWYZHIQX-GJZGRUSLSA-N 0 3 265.353 2.063 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@@H](OCCOC(C)C)CC2 ZINC000092386487 180374165 /nfs/dbraw/zinc/37/41/65/180374165.db2.gz DAQSLHUCQYFEGE-JKSUJKDBSA-N 0 3 279.380 2.451 10 0 CEAEHN O=C(CCN1[C@@H]2CC[C@H]1CC(O)C2)c1ccc(F)cc1 ZINC000107922370 186197266 /nfs/dbraw/zinc/19/72/66/186197266.db2.gz TVJXNJNWTXIXML-YIONKMFJSA-N 0 3 277.339 2.386 10 0 CEAEHN O=C(CN[C@H]1CCCOC1)Nc1cccc(Cl)c1 ZINC000109546834 186262058 /nfs/dbraw/zinc/26/20/58/186262058.db2.gz LXCBIGRKFPXLOE-LBPRGKRZSA-N 0 3 268.744 2.047 10 0 CEAEHN C[C@H](N)c1cc(F)ccc1N(C)C[C@H]1CCCO1 ZINC000109568674 186263679 /nfs/dbraw/zinc/26/36/79/186263679.db2.gz WKFHKDYORHRXBB-CMPLNLGQSA-N 0 3 252.333 2.461 10 0 CEAEHN C[C@H]1CCCC[C@@H]1NC(=S)N1CCC[C@@H]1CN(C)C ZINC000109670916 186268891 /nfs/dbraw/zinc/26/88/91/186268891.db2.gz XKULJINOMANIGW-MJBXVCDLSA-N 0 3 283.485 2.466 10 0 CEAEHN Cc1nn(C)c(N(CCC(C)C)C2CC2)c1CN ZINC000109278258 186247281 /nfs/dbraw/zinc/24/72/81/186247281.db2.gz IFMCJGQGTSKVAF-UHFFFAOYSA-N 0 3 250.390 2.202 10 0 CEAEHN Cc1ccc(CN2CCN(C(C)(C)C(N)=S)CC2)cc1 ZINC000109471013 186255217 /nfs/dbraw/zinc/25/52/17/186255217.db2.gz ZEBQZRRLXNGKIW-UHFFFAOYSA-N 0 3 291.464 2.177 10 0 CEAEHN CC[C@H](N)[C@H](c1ccc(C)s1)N1CCNC(=O)C1(C)C ZINC000110653418 186310717 /nfs/dbraw/zinc/31/07/17/186310717.db2.gz NGYZCYNASDARJD-WCQYABFASA-N 0 3 295.452 2.045 10 0 CEAEHN CCOCCCn1c(N)nc2cc(F)c(OC)cc21 ZINC000110629304 186307877 /nfs/dbraw/zinc/30/78/77/186307877.db2.gz HEUGOAROTAGAIN-UHFFFAOYSA-N 0 3 267.304 2.193 10 0 CEAEHN COc1ccc([C@H](CN)NC(C)C)c(Cl)c1OC ZINC000110829455 186327141 /nfs/dbraw/zinc/32/71/41/186327141.db2.gz SKBTWZNTXNATEZ-JTQLQIEISA-N 0 3 272.776 2.355 10 0 CEAEHN COc1ccc([C@@H](CO)NC(C)C)c(Cl)c1OC ZINC000110831485 186328340 /nfs/dbraw/zinc/32/83/40/186328340.db2.gz TWBXSQKLRPKZGR-SNVBAGLBSA-N 0 3 273.760 2.389 10 0 CEAEHN CN(CC(=O)Nc1cccc(N)c1)CC1CCCC1 ZINC000110832902 186328436 /nfs/dbraw/zinc/32/84/36/186328436.db2.gz SZLLQUJAEQCPEC-UHFFFAOYSA-N 0 3 261.369 2.329 10 0 CEAEHN CCN(CC)C(=O)[C@H](CN)Cc1ccc(C)c(F)c1 ZINC000110974659 186337559 /nfs/dbraw/zinc/33/75/59/186337559.db2.gz RZZOMVMVHLMUJQ-ZDUSSCGKSA-N 0 3 266.360 2.120 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OCCS(=O)(=O)CC ZINC000110961400 186337789 /nfs/dbraw/zinc/33/77/89/186337789.db2.gz LDSYWYFZKYRGHM-CYBMUJFWSA-N 0 3 299.436 2.479 10 0 CEAEHN CN1CCN(CCCOc2cccc(N)c2)CC1(C)C ZINC000110704462 186315184 /nfs/dbraw/zinc/31/51/84/186315184.db2.gz MYPWELROHJMXJN-UHFFFAOYSA-N 0 3 277.412 2.064 10 0 CEAEHN C[C@@H]1CN(Cc2occc2CNC(C)(C)C)CCN1C ZINC000110751539 186319874 /nfs/dbraw/zinc/31/98/74/186319874.db2.gz UWWVNWJJJDSMEX-CYBMUJFWSA-N 0 3 279.428 2.304 10 0 CEAEHN CN(C[C@@H]1CCCOC1)[C@@H](CN)c1ccc(F)cc1F ZINC000111158970 186362695 /nfs/dbraw/zinc/36/26/95/186362695.db2.gz GPMJAUITNNNAEP-NHYWBVRUSA-N 0 3 284.350 2.323 10 0 CEAEHN NCc1cccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111075743 186350787 /nfs/dbraw/zinc/35/07/87/186350787.db2.gz GSQVXWSPAXPUBR-LNSITVRQSA-N 0 3 258.365 2.311 10 0 CEAEHN CCN(CC)[C@H](CNCC(OC)OC)c1ccccc1 ZINC000111111683 186353609 /nfs/dbraw/zinc/35/36/09/186353609.db2.gz XYKOLSVZXMGGNN-OAHLLOKOSA-N 0 3 280.412 2.278 10 0 CEAEHN CCCNCc1cc(OCCOCCC)ccn1 ZINC000111111010 186353749 /nfs/dbraw/zinc/35/37/49/186353749.db2.gz HINCIOQVAOPJLD-UHFFFAOYSA-N 0 3 252.358 2.387 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1ccc(F)cc1F ZINC000111117561 186355128 /nfs/dbraw/zinc/35/51/28/186355128.db2.gz BZLLEORGYZQECC-AWEZNQCLSA-N 0 3 272.339 2.323 10 0 CEAEHN CN(Cc1ccc(F)cc1C(N)=S)C[C@H]1CCCOC1 ZINC000111163053 186364476 /nfs/dbraw/zinc/36/44/76/186364476.db2.gz GFMJBCOBBNETJU-LLVKDONJSA-N 0 3 296.411 2.318 10 0 CEAEHN COc1ccc(CN(C)C[C@@]2(CO)CCCOC2)cc1F ZINC000111330975 186399913 /nfs/dbraw/zinc/39/99/13/186399913.db2.gz GFCATJDGVKJXFD-MRXNPFEDSA-N 0 3 297.370 2.055 10 0 CEAEHN CC(C)[C@H](CN(C)C)NCc1nc2ccccc2n1C ZINC000111233940 186373264 /nfs/dbraw/zinc/37/32/64/186373264.db2.gz CJKBHRDGFHWINJ-AWEZNQCLSA-N 0 3 274.412 2.249 10 0 CEAEHN CN(CC1CCOCC1)[C@@H](CN)c1ccccc1F ZINC000111239114 186374167 /nfs/dbraw/zinc/37/41/67/186374167.db2.gz QUVXBIXASCPHPW-HNNXBMFYSA-N 0 3 266.360 2.184 10 0 CEAEHN CCCS(=O)(=O)c1ccccc1N1CCNCC1(C)C ZINC000113210744 186560901 /nfs/dbraw/zinc/56/09/01/186560901.db2.gz RXWBTBKBGUECGR-UHFFFAOYSA-N 0 3 296.436 2.059 10 0 CEAEHN CN1CC[C@H](N)[C@@H]1c1ccc(Br)s1 ZINC000069799118 363001323 /nfs/dbraw/zinc/00/13/23/363001323.db2.gz JHVOODYTMGTXRV-IMTBSYHQSA-N 0 3 261.188 2.215 10 0 CEAEHN CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000070250609 363061497 /nfs/dbraw/zinc/06/14/97/363061497.db2.gz UYCMWVYDLOGUPC-UHFFFAOYSA-N 0 3 260.263 2.002 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(Cc2c[nH]nc2C)C1 ZINC000122957090 187062082 /nfs/dbraw/zinc/06/20/82/187062082.db2.gz OKQWCQCKXPKCDX-CQSZACIVSA-N 0 3 273.384 2.314 10 0 CEAEHN CC[C@@](C)(O)CN(C)CCOc1ccccc1F ZINC000123235634 187079965 /nfs/dbraw/zinc/07/99/65/187079965.db2.gz KNNRLMIDDKSTHQ-CQSZACIVSA-N 0 3 255.333 2.297 10 0 CEAEHN COc1ccc([C@H](C)NC[C@H](C)N2CCOCC2)cc1F ZINC000123305938 187084004 /nfs/dbraw/zinc/08/40/04/187084004.db2.gz WCDOTLFSJBAHTJ-STQMWFEESA-N 0 3 296.386 2.206 10 0 CEAEHN CCCN[C@H]1CCCN(c2ccc(N(C)C)cc2)C1=O ZINC000071040730 535192106 /nfs/dbraw/zinc/19/21/06/535192106.db2.gz ABEXTPYZMXPOIL-HNNXBMFYSA-N 0 3 275.396 2.248 10 0 CEAEHN CC(C)c1ccc([C@@H](C)NC(=O)COC2(C)CNC2)cc1 ZINC000098060467 539960693 /nfs/dbraw/zinc/96/06/93/539960693.db2.gz NUUXGVLBMYFZQT-CYBMUJFWSA-N 0 3 290.407 2.366 10 0 CEAEHN CCC[C@H](C(=O)N1CCN(c2cccs2)CC1)N(C)C ZINC000154061510 188120595 /nfs/dbraw/zinc/12/05/95/188120595.db2.gz CZJXILUJMLUEOQ-CYBMUJFWSA-N 0 3 295.452 2.127 10 0 CEAEHN COCOc1ccc(OC)cc1CN[C@H](C)[C@@H]1CCCO1 ZINC000154479517 188144813 /nfs/dbraw/zinc/14/48/13/188144813.db2.gz MVWJTJMCKRPOAI-DOMZBBRYSA-N 0 3 295.379 2.335 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000155530517 188212081 /nfs/dbraw/zinc/21/20/81/188212081.db2.gz AWJYOJNWVYMNHI-ZJUUUORDSA-N 0 3 270.760 2.392 10 0 CEAEHN C[C@@H](N)C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000157137086 188299187 /nfs/dbraw/zinc/29/91/87/188299187.db2.gz FXKLJKOPQSPZRY-GFCCVEGCSA-N 0 3 258.321 2.156 10 0 CEAEHN COC[C@@H](C)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000133104928 366195245 /nfs/dbraw/zinc/19/52/45/366195245.db2.gz NUMXBAJKQKEBIJ-CQSZACIVSA-N 0 3 292.423 2.296 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000133413501 366222392 /nfs/dbraw/zinc/22/23/92/366222392.db2.gz XBRGQGWDERNABH-XHSDSOJGSA-N 0 3 268.445 2.201 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cncc(F)c2)=C[C@H](N)C1 ZINC000675077963 540118923 /nfs/dbraw/zinc/11/89/23/540118923.db2.gz LAKRNDPLKWFNKY-ZDUSSCGKSA-N 0 3 293.342 2.182 10 0 CEAEHN CC[C@@H](C)N=[S@](=O)(c1ccc(N)cc1)N(C)C ZINC000675074897 540116165 /nfs/dbraw/zinc/11/61/65/540116165.db2.gz JOPUJORKUOTFNE-BMLIUANNSA-N 0 3 255.387 2.371 10 0 CEAEHN CCN=[S@](=O)(c1ccc(N)cc1)N(CC)CC ZINC000675075772 540117010 /nfs/dbraw/zinc/11/70/10/540117010.db2.gz QKVBFPIIVIKELY-QGZVFWFLSA-N 0 3 255.387 2.372 10 0 CEAEHN Cc1ccc(CN2CC[C@H]3OCCN[C@H]3C2)c(Cl)c1 ZINC000404257784 540120607 /nfs/dbraw/zinc/12/06/07/540120607.db2.gz MWDHAVLJILMFKT-LSDHHAIUSA-N 0 3 280.799 2.211 10 0 CEAEHN CC(=O)c1cc(F)ccc1N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000124300749 540147247 /nfs/dbraw/zinc/14/72/47/540147247.db2.gz PHASWHLORNLBEV-BONVTDFDSA-N 0 3 264.344 2.415 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000075509295 363468778 /nfs/dbraw/zinc/46/87/78/363468778.db2.gz YJPXMFOHYYOSON-DOMZBBRYSA-N 0 3 258.365 2.421 10 0 CEAEHN C[C@H]1CN(CCC(=O)N(C)c2ccccc2)CCS1 ZINC000135044002 366389946 /nfs/dbraw/zinc/38/99/46/366389946.db2.gz IHYSNHQGKFXANA-ZDUSSCGKSA-N 0 3 278.421 2.477 10 0 CEAEHN CCO[C@@H]1C[C@@H](N(C)CC(OC)OC)C12CCCC2 ZINC000136795847 366527528 /nfs/dbraw/zinc/52/75/28/366527528.db2.gz XGSMWAMLSAGCIQ-CHWSQXEVSA-N 0 3 271.401 2.275 10 0 CEAEHN CCNCc1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685959691 540658998 /nfs/dbraw/zinc/65/89/98/540658998.db2.gz QSUASGBYTGICHQ-UHFFFAOYSA-N 0 3 254.548 2.413 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCc1ccccc1 ZINC000177025761 189022145 /nfs/dbraw/zinc/02/21/45/189022145.db2.gz OBERHULLKUOLQU-MRXNPFEDSA-N 0 3 289.423 2.355 10 0 CEAEHN CC[C@H]1CN([C@@H](C)c2ccccn2)CCN1CCOC ZINC000177132250 189031457 /nfs/dbraw/zinc/03/14/57/189031457.db2.gz MGPYADZNBXWQPH-GJZGRUSLSA-N 0 3 277.412 2.185 10 0 CEAEHN CCCCOC(=O)[C@@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000178318568 189107145 /nfs/dbraw/zinc/10/71/45/189107145.db2.gz VEBRNBJVTUDDGP-UKRRQHHQSA-N 0 3 293.411 2.388 10 0 CEAEHN COc1ccc([C@H](C)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000180605767 189265459 /nfs/dbraw/zinc/26/54/59/189265459.db2.gz PKVJOEHKPROTOR-CMPLNLGQSA-N 0 3 290.342 2.091 10 0 CEAEHN CCCc1csc(NC(=O)N2CC[C@@H](N(C)C)C2)n1 ZINC000180631761 189267047 /nfs/dbraw/zinc/26/70/47/189267047.db2.gz DFQWFMZDXJCCCD-LLVKDONJSA-N 0 3 282.413 2.263 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cnn(CC(C)C)c1 ZINC000180695803 189270362 /nfs/dbraw/zinc/27/03/62/189270362.db2.gz MZHVSTCMRYRCML-OAHLLOKOSA-N 0 3 294.443 2.245 10 0 CEAEHN CC[C@H](N[C@H]1CCc2ncnn2C1)c1ccccc1F ZINC000180853446 189279912 /nfs/dbraw/zinc/27/99/12/189279912.db2.gz ACOFRWUCMNUTFG-FZMZJTMJSA-N 0 3 274.343 2.473 10 0 CEAEHN Cn1cc([C@H]2CCN(CCC(=O)c3ccccc3)C2)cn1 ZINC000182313288 189319261 /nfs/dbraw/zinc/31/92/61/189319261.db2.gz PTTNBQVDHPSWMI-HNNXBMFYSA-N 0 3 283.375 2.482 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000082287113 363759585 /nfs/dbraw/zinc/75/95/85/363759585.db2.gz YNJGISRDUISTEA-SNVBAGLBSA-N 0 3 270.735 2.255 10 0 CEAEHN Cc1cccc2c(NCCN3C(=O)CCC3=O)ccnc12 ZINC000301668733 201127362 /nfs/dbraw/zinc/12/73/62/201127362.db2.gz MVTLZYDCBMPWRT-UHFFFAOYSA-N 0 3 283.331 2.104 10 0 CEAEHN O=C(c1cc(-c2ccccc2)on1)N1CCN2CCC[C@@H]2C1 ZINC000028233176 361669315 /nfs/dbraw/zinc/66/93/15/361669315.db2.gz KPDITNLIOYSMER-CQSZACIVSA-N 0 3 297.358 2.262 10 0 CEAEHN CC(C)n1cncc1CNC[C@H]1CCCC[C@H]1O ZINC000090209456 364050566 /nfs/dbraw/zinc/05/05/66/364050566.db2.gz NFXKBFCUSSUIRC-TZMCWYRMSA-N 0 3 251.374 2.105 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC000092627409 364091018 /nfs/dbraw/zinc/09/10/18/364091018.db2.gz KJAUPBUYWJOAIQ-GFCCVEGCSA-N 0 3 264.344 2.382 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(CCCCCOC)C1 ZINC000103227780 364634025 /nfs/dbraw/zinc/63/40/25/364634025.db2.gz MNBUJWZWVRPIKS-AWEZNQCLSA-N 0 3 270.417 2.184 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2ccsc2C1 ZINC000335439360 364737172 /nfs/dbraw/zinc/73/71/72/364737172.db2.gz MABKFYDWNZBJCN-BXKDBHETSA-N 0 3 252.383 2.006 10 0 CEAEHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccccc1Cl ZINC000112453305 364809571 /nfs/dbraw/zinc/80/95/71/364809571.db2.gz QXSZWEBTMPZUDY-RYUDHWBXSA-N 0 3 268.788 2.321 10 0 CEAEHN CC1(C)CN(Cc2ccc3ccccc3n2)C[C@@H]1O ZINC000335781904 364974982 /nfs/dbraw/zinc/97/49/82/364974982.db2.gz MWJBCXNNXXHNRY-HNNXBMFYSA-N 0 3 256.349 2.438 10 0 CEAEHN C[C@H](CC(=O)N1CC[C@H](N(C)C)C1)c1cccc(F)c1 ZINC000116190125 365042222 /nfs/dbraw/zinc/04/22/22/365042222.db2.gz MYCQPPMOXDNFGZ-DOMZBBRYSA-N 0 3 278.371 2.482 10 0 CEAEHN CCc1ccccc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000118794072 365180849 /nfs/dbraw/zinc/18/08/49/365180849.db2.gz VIJKSKJEDAJRIL-CQSZACIVSA-N 0 3 291.395 2.043 10 0 CEAEHN Cc1csc(CNC[C@H]2CCc3nccn3C2)n1 ZINC000275548633 193072675 /nfs/dbraw/zinc/07/26/75/193072675.db2.gz NFXDXPFLRDKIFT-LLVKDONJSA-N 0 3 262.382 2.000 10 0 CEAEHN CSc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)ccn1 ZINC000159020571 366870586 /nfs/dbraw/zinc/87/05/86/366870586.db2.gz MGZMMCUYOZMGMN-YPMHNXCESA-N 0 3 293.436 2.262 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC000159098977 366877768 /nfs/dbraw/zinc/87/77/68/366877768.db2.gz QMHUBWIDGIUBJY-IPYPFGDCSA-N 0 3 275.396 2.030 10 0 CEAEHN CCC[C@@H](C(=O)NCC1(C2CC2)CCC1)N(C)C ZINC000120309412 365404737 /nfs/dbraw/zinc/40/47/37/365404737.db2.gz VNPFUASUCLYWCJ-ZDUSSCGKSA-N 0 3 252.402 2.413 10 0 CEAEHN COc1csc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000245425054 370818162 /nfs/dbraw/zinc/81/81/62/370818162.db2.gz DKHZXSZQLXIFHV-QWRGUYRKSA-N 0 3 280.393 2.065 10 0 CEAEHN CCC[C@H](C(=O)NCc1csc(CC)n1)N(C)C ZINC000162052734 367134273 /nfs/dbraw/zinc/13/42/73/367134273.db2.gz CBOZQFUFLDWPFZ-LLVKDONJSA-N 0 3 269.414 2.052 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCO2)N(C)C ZINC000161550789 367097430 /nfs/dbraw/zinc/09/74/30/367097430.db2.gz ZUFXQPYELKZQAR-AAEUAGOBSA-N 0 3 292.379 2.323 10 0 CEAEHN C[C@H](O)[C@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000162784575 367191375 /nfs/dbraw/zinc/19/13/75/367191375.db2.gz QQVVPFNQXDIGMJ-JSGCOSHPSA-N 0 3 256.349 2.438 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1cccc(F)c1F ZINC000165627220 367310464 /nfs/dbraw/zinc/31/04/64/367310464.db2.gz YCZQLZAVQUAWPG-MNOVXSKESA-N 0 3 297.349 2.371 10 0 CEAEHN CCOc1ccccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171070539 367471254 /nfs/dbraw/zinc/47/12/54/367471254.db2.gz SOBVZOAUJBEYME-GFCCVEGCSA-N 0 3 277.368 2.253 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000171076833 367473068 /nfs/dbraw/zinc/47/30/68/367473068.db2.gz NNFAYZCNXSBPKE-NSHDSACASA-N 0 3 299.321 2.456 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2cccc3cccnc32)C1 ZINC000170835081 367429412 /nfs/dbraw/zinc/42/94/12/367429412.db2.gz PXCAHDQQURSLAV-HNNXBMFYSA-N 0 3 298.390 2.080 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000170868566 367436195 /nfs/dbraw/zinc/43/61/95/367436195.db2.gz VTJRRSPISXIINR-CYBMUJFWSA-N 0 3 266.772 2.045 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCC2(O)CCC2)c1C ZINC000342804870 367547210 /nfs/dbraw/zinc/54/72/10/367547210.db2.gz AFNXPYNPQKVIEN-NSHDSACASA-N 0 3 265.401 2.476 10 0 CEAEHN COc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171303162 367518646 /nfs/dbraw/zinc/51/86/46/367518646.db2.gz PCTGCZCDZMEFKN-UONOGXRCSA-N 0 3 290.407 2.351 10 0 CEAEHN Cc1cc(CNC(=O)N2CCN3CCC[C@@H]3C2)ccc1F ZINC000171899640 367635155 /nfs/dbraw/zinc/63/51/55/367635155.db2.gz OEQWPFATHPQXNE-CQSZACIVSA-N 0 3 291.370 2.124 10 0 CEAEHN CC1CCC(CNC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000171904101 367635441 /nfs/dbraw/zinc/63/54/41/367635441.db2.gz WTXNEYFIZHKCFJ-YMAMQOFZSA-N 0 3 279.428 2.302 10 0 CEAEHN CCN(C[C@@H](O)COCc1ccccc1)C[C@H]1CCCO1 ZINC000172053376 367665875 /nfs/dbraw/zinc/66/58/75/367665875.db2.gz YWAHGJHPYMOXKR-IAGOWNOFSA-N 0 3 293.407 2.065 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@H](C)C1 ZINC000172268181 367705760 /nfs/dbraw/zinc/70/57/60/367705760.db2.gz YODLIUZDKMOSCJ-TUVASFSCSA-N 0 3 279.428 2.301 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC[C@@H](C)C(C)C)C1 ZINC000172479328 367755951 /nfs/dbraw/zinc/75/59/51/367755951.db2.gz WNWVDWXGGDJCBJ-CHWSQXEVSA-N 0 3 255.406 2.062 10 0 CEAEHN CCCCSCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000172542532 367772521 /nfs/dbraw/zinc/77/25/21/367772521.db2.gz KXOZPXLXDZRGMN-ZDUSSCGKSA-N 0 3 270.442 2.216 10 0 CEAEHN Cn1cc([C@@H]2CCCN2C[C@@H](O)Cc2ccccc2)cn1 ZINC000245877489 370882724 /nfs/dbraw/zinc/88/27/24/370882724.db2.gz ZCNLPTGCWNZWPX-IRXDYDNUSA-N 0 3 285.391 2.161 10 0 CEAEHN COC[C@@H](O)CN1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000172996116 367856844 /nfs/dbraw/zinc/85/68/44/367856844.db2.gz BIIOXQDXRYQMTD-STQMWFEESA-N 0 3 298.452 2.453 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CN2CCCCC2)O1 ZINC000245960018 370894906 /nfs/dbraw/zinc/89/49/06/370894906.db2.gz COFWFKDNMVTTJY-QLFBSQMISA-N 0 3 280.412 2.031 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000173906373 367957472 /nfs/dbraw/zinc/95/74/72/367957472.db2.gz UEYMUCMCCSAWRR-SECBINFHSA-N 0 3 287.285 2.272 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H]1CC=CCC1 ZINC000176380383 368232890 /nfs/dbraw/zinc/23/28/90/368232890.db2.gz QVRXNZGTXLOZHB-KBPBESRZSA-N 0 3 265.401 2.221 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1cnc(C)s1)N(C)C ZINC000179548082 368341090 /nfs/dbraw/zinc/34/10/90/368341090.db2.gz LEVXPOZSQRGZBK-LBPRGKRZSA-N 0 3 269.414 2.140 10 0 CEAEHN C[C@@H](Cc1ccccc1)CN1CCO[C@H](CN(C)C)C1 ZINC000182026383 368516483 /nfs/dbraw/zinc/51/64/83/368516483.db2.gz QKQGWDPRNOVQRK-DOTOQJQBSA-N 0 3 276.424 2.128 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000183062272 368609079 /nfs/dbraw/zinc/60/90/79/368609079.db2.gz HPAXNGFARITOPS-JYJNAYRXSA-N 0 3 268.445 2.201 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)Nc2ccncc2F)[C@@H](C)C1 ZINC000184180007 368677121 /nfs/dbraw/zinc/67/71/21/368677121.db2.gz FYQNGAGCIAKRPV-GWCFXTLKSA-N 0 3 280.347 2.071 10 0 CEAEHN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1Cc1ncccn1 ZINC000346699193 368779499 /nfs/dbraw/zinc/77/94/99/368779499.db2.gz CAQUGRVXEUTZFK-DZKIICNBSA-N 0 3 275.396 2.382 10 0 CEAEHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2C[C@@H]2C)cc1 ZINC000185342639 368791315 /nfs/dbraw/zinc/79/13/15/368791315.db2.gz CMFSSWNXUDLUCQ-SGMGOOAPSA-N 0 3 267.394 2.155 10 0 CEAEHN COC(=O)[C@@]1(C)CCCN1CCCCCn1cccn1 ZINC000186401952 368969588 /nfs/dbraw/zinc/96/95/88/368969588.db2.gz TZGRIVNBGICVFJ-OAHLLOKOSA-N 0 3 279.384 2.081 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2nccn2C)C12CCOCC2 ZINC000186304335 368953462 /nfs/dbraw/zinc/95/34/62/368953462.db2.gz NAWOZIGOVGRRJE-BFHYXJOUSA-N 0 3 293.411 2.045 10 0 CEAEHN COc1cc([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)ccc1F ZINC000348332582 369007469 /nfs/dbraw/zinc/00/74/69/369007469.db2.gz BBTVJEGBIZPRBK-CWSCBRNRSA-N 0 3 280.343 2.152 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@H](C)C2CCS(=O)(=O)CC2)o1 ZINC000186934571 369071752 /nfs/dbraw/zinc/07/17/52/369071752.db2.gz WKBDMPZERUUDTD-VXGBXAGGSA-N 0 3 285.409 2.452 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1c[nH]nc1C1CC1)c1ccccc1 ZINC000186953313 369074651 /nfs/dbraw/zinc/07/46/51/369074651.db2.gz POUDREGDQGHUEM-HNNXBMFYSA-N 0 3 298.390 2.320 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1coc(C)c1 ZINC000187746310 369215508 /nfs/dbraw/zinc/21/55/08/369215508.db2.gz XBURHKAHJZEHOM-ZIAGYGMSSA-N 0 3 262.353 2.287 10 0 CEAEHN Fc1ccc2oc(CN3CCN4CCC[C@H]4C3)nc2c1 ZINC000246455204 370963428 /nfs/dbraw/zinc/96/34/28/370963428.db2.gz YHWYJHLAYVOXOF-LBPRGKRZSA-N 0 3 275.327 2.247 10 0 CEAEHN O=C(c1ccncc1C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000193067720 369889587 /nfs/dbraw/zinc/88/95/87/369889587.db2.gz WXWLJTGUXQEQPM-SNVBAGLBSA-N 0 3 299.296 2.021 10 0 CEAEHN Clc1csc(CN[C@H]2CCc3ncnn3C2)c1 ZINC000193091968 369891790 /nfs/dbraw/zinc/89/17/90/369891790.db2.gz DANPBBBCZWAAIG-VIFPVBQESA-N 0 3 268.773 2.098 10 0 CEAEHN CCN[C@H](C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000637904373 370158693 /nfs/dbraw/zinc/15/86/93/370158693.db2.gz VKSLCWVWSLRLPT-XNWIYYODSA-N 0 3 266.307 2.222 10 0 CEAEHN CC(C)CC[C@@H](N)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000638020600 370246640 /nfs/dbraw/zinc/24/66/40/370246640.db2.gz JYHATARTZDVURQ-GOEBONIOSA-N 0 3 292.423 2.471 10 0 CEAEHN CC(C)n1cc(CN[C@H]2CCCCC[C@@H]2O)cn1 ZINC000232785843 370511906 /nfs/dbraw/zinc/51/19/06/370511906.db2.gz KQAKLORNFPSDRB-KBPBESRZSA-N 0 3 251.374 2.247 10 0 CEAEHN CC(C)(N)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000236804313 370632032 /nfs/dbraw/zinc/63/20/32/370632032.db2.gz LMIRXBALSREXPD-JTQLQIEISA-N 0 3 274.286 2.014 10 0 CEAEHN CCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000236848078 370640002 /nfs/dbraw/zinc/64/00/02/370640002.db2.gz UBWBRXXHEZGGGF-AWEZNQCLSA-N 0 3 278.371 2.491 10 0 CEAEHN C[C@H]1CC(F)(F)CCN1C(=O)[C@]1(C)CCCCN1 ZINC000638630426 370643377 /nfs/dbraw/zinc/64/33/77/370643377.db2.gz MJVGVNGIZONEGR-JQWIXIFHSA-N 0 3 260.328 2.165 10 0 CEAEHN COCCCCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246769656 371007331 /nfs/dbraw/zinc/00/73/31/371007331.db2.gz VAQDVXDKSHNVTH-MJBXVCDLSA-N 0 3 269.385 2.219 10 0 CEAEHN CC(C)CCSCC(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246815423 371014579 /nfs/dbraw/zinc/01/45/79/371014579.db2.gz CHJBVNPEXVIBNV-KGLIPLIRSA-N 0 3 284.469 2.461 10 0 CEAEHN CC[C@@H]1CN(CCc2ccc(C)cc2)CCN1C[C@H](C)O ZINC000246864176 371023175 /nfs/dbraw/zinc/02/31/75/371023175.db2.gz ISFOZWFMGFSKAX-FUHWJXTLSA-N 0 3 290.451 2.315 10 0 CEAEHN COc1ccccc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247216875 371078569 /nfs/dbraw/zinc/07/85/69/371078569.db2.gz MEFNNGGLXODJCG-OLZOCXBDSA-N 0 3 274.364 2.004 10 0 CEAEHN COc1ccccc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000247216891 371078608 /nfs/dbraw/zinc/07/86/08/371078608.db2.gz MEFNNGGLXODJCG-STQMWFEESA-N 0 3 274.364 2.004 10 0 CEAEHN CO[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1 ZINC000247341498 371096577 /nfs/dbraw/zinc/09/65/77/371096577.db2.gz NNRIBOSPVAVXJM-IMJJTQAJSA-N 0 3 290.407 2.219 10 0 CEAEHN Cc1cc(C)cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000247742507 371140489 /nfs/dbraw/zinc/14/04/89/371140489.db2.gz NXAIZPBCOVDUKM-JKSUJKDBSA-N 0 3 276.424 2.190 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2cccc(Cl)c2)C[C@H]1C ZINC000247772037 371140648 /nfs/dbraw/zinc/14/06/48/371140648.db2.gz PMDQUUYDHKKATJ-OLZOCXBDSA-N 0 3 282.815 2.227 10 0 CEAEHN CC(=O)c1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000247409975 371104165 /nfs/dbraw/zinc/10/41/65/371104165.db2.gz QBUKMMNVDSEHRL-WBMJQRKESA-N 0 3 286.375 2.198 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000247521359 371119910 /nfs/dbraw/zinc/11/99/10/371119910.db2.gz ZDMREDANNLSBGZ-IINYFYTJSA-N 0 3 282.334 2.423 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)cc2)CCN1C[C@H](C)O ZINC000247593948 371128149 /nfs/dbraw/zinc/12/81/49/371128149.db2.gz JZVFCYNWBUCZGI-XJKSGUPXSA-N 0 3 280.387 2.103 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@H]1c1ccncc1 ZINC000248662244 371233010 /nfs/dbraw/zinc/23/30/10/371233010.db2.gz YDOWMMWGAYLTMO-CVEARBPZSA-N 0 3 278.396 2.396 10 0 CEAEHN CCOC[C@@H](NC(=O)N(C)C[C@H]1CCCN1CC)C(C)C ZINC000248980792 371278956 /nfs/dbraw/zinc/27/89/56/371278956.db2.gz VJRLOBRFKYVYQG-HUUCEWRRSA-N 0 3 299.459 2.173 10 0 CEAEHN CC[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249842894 371366951 /nfs/dbraw/zinc/36/69/51/371366951.db2.gz YRPUOMCYNKQNHC-JKSUJKDBSA-N 0 3 272.392 2.487 10 0 CEAEHN OC[C@@H]1CN(CCOCC2CC2)C[C@H]1c1ccsc1 ZINC000249576699 371339705 /nfs/dbraw/zinc/33/97/05/371339705.db2.gz PSBTTWVTWPJHOQ-GJZGRUSLSA-N 0 3 281.421 2.182 10 0 CEAEHN CCO[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249842861 371367421 /nfs/dbraw/zinc/36/74/21/371367421.db2.gz YQMBLJZLTHWPME-JKSUJKDBSA-N 0 3 288.391 2.071 10 0 CEAEHN CCC(C)(C)NC(=O)CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253104716 371498989 /nfs/dbraw/zinc/49/89/89/371498989.db2.gz ZOUIYFIHGISFEL-RRFJBIMHSA-N 0 3 296.455 2.307 10 0 CEAEHN Cc1cc([C@@H]2CCCN(Cc3cnc(N)s3)C2)n[nH]1 ZINC000261609371 371676953 /nfs/dbraw/zinc/67/69/53/371676953.db2.gz FIPGLYRNCPVJLH-SNVBAGLBSA-N 0 3 277.397 2.136 10 0 CEAEHN Cc1cc([C@@H]2CCCN(Cc3cnc(N)s3)C2)[nH]n1 ZINC000261609371 371676963 /nfs/dbraw/zinc/67/69/63/371676963.db2.gz FIPGLYRNCPVJLH-SNVBAGLBSA-N 0 3 277.397 2.136 10 0 CEAEHN COc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261862738 371754356 /nfs/dbraw/zinc/75/43/56/371754356.db2.gz CIHBGTPRUUHIIE-XHSDSOJGSA-N 0 3 276.380 2.264 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(C)cc2Cl)CCCN1 ZINC000643615326 373222419 /nfs/dbraw/zinc/22/24/19/373222419.db2.gz HCPZLMWTHAQQFS-AWEZNQCLSA-N 0 3 282.771 2.356 10 0 CEAEHN COC[C@]1(C(=O)Nc2cc(C)cc(C)c2)CCCN1 ZINC000643615319 373222971 /nfs/dbraw/zinc/22/29/71/373222971.db2.gz GXSHFSBLVYILLW-HNNXBMFYSA-N 0 3 262.353 2.011 10 0 CEAEHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CNCCOC1 ZINC000643634966 373226833 /nfs/dbraw/zinc/22/68/33/373226833.db2.gz PIUUSJNMULVWBH-WCQYABFASA-N 0 3 296.798 2.095 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@H]2NCC2(C)C)cc1F ZINC000644015664 373338381 /nfs/dbraw/zinc/33/83/81/373338381.db2.gz RQSATPGSQOSUFZ-GXFFZTMASA-N 0 3 264.344 2.309 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC2([S@](C)=O)CC2)c1C ZINC000380188154 321829389 /nfs/dbraw/zinc/82/93/89/321829389.db2.gz VIIYLKXEWQKHIV-OVWNDWIMSA-N 0 3 283.441 2.082 10 0 CEAEHN Cc1nn(C)cc1[C@H](C)N[C@@H](CO)C1CCCCC1 ZINC000386092748 375253529 /nfs/dbraw/zinc/25/35/29/375253529.db2.gz GJUCWTSXGUCKPI-NHYWBVRUSA-N 0 3 265.401 2.320 10 0 CEAEHN CCN1CC[C@@H](N[C@H](C)c2nc3ccccc3n2C)C1 ZINC000389268508 375300910 /nfs/dbraw/zinc/30/09/10/375300910.db2.gz QLDXUOGIUWJGAD-CHWSQXEVSA-N 0 3 272.396 2.318 10 0 CEAEHN CCN1CC[C@@H](NCc2csc(-c3ccccn3)n2)C1 ZINC000389434593 375304004 /nfs/dbraw/zinc/30/40/04/375304004.db2.gz ZMJMCZGEDOARNM-GFCCVEGCSA-N 0 3 288.420 2.389 10 0 CEAEHN O=c1ccc(CN[C@@H]2CCOc3ccccc32)c[nH]1 ZINC000392859711 375324017 /nfs/dbraw/zinc/32/40/17/375324017.db2.gz TYKYPTWRDWZQET-CYBMUJFWSA-N 0 3 256.305 2.401 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccccc1OC(F)F ZINC000282320348 375456645 /nfs/dbraw/zinc/45/66/45/375456645.db2.gz KZPQFELYWJRNCI-KOLCDFICSA-N 0 3 284.306 2.045 10 0 CEAEHN CCOc1ccc([C@H](C)N[C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282475363 375494570 /nfs/dbraw/zinc/49/45/70/375494570.db2.gz WQTSOSLSTWJBPA-HUBLWGQQSA-N 0 3 276.380 2.403 10 0 CEAEHN N[C@@H](CCCCO)c1cccc2c1OC(F)(F)O2 ZINC000256007535 190001087 /nfs/dbraw/zinc/00/10/87/190001087.db2.gz VSSPVPPZUWGPTR-VIFPVBQESA-N 0 3 259.252 2.171 10 0 CEAEHN c1nc2n(n1)CCC[C@H]2N[C@@H]1CCc2cccnc2CC1 ZINC000333729946 377839949 /nfs/dbraw/zinc/83/99/49/377839949.db2.gz KWIWQTFOXOGHPU-UKRRQHHQSA-N 0 3 283.379 2.045 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H](O)CC1CCCC1 ZINC000300147599 379155085 /nfs/dbraw/zinc/15/50/85/379155085.db2.gz DWODEYWWRNKPND-DJIMGWMZSA-N 0 3 280.456 2.486 10 0 CEAEHN CC(C)(N)c1cn(Cc2sccc2Cl)nn1 ZINC000304627553 379586839 /nfs/dbraw/zinc/58/68/39/379586839.db2.gz YNSVRTDGIHCBFQ-UHFFFAOYSA-N 0 3 256.762 2.235 10 0 CEAEHN CCN(CC)S(=O)(=O)c1cc(CNC)cc(C)c1C ZINC000088906367 184613629 /nfs/dbraw/zinc/61/36/29/184613629.db2.gz YJFGOJFIHJULTO-UHFFFAOYSA-N 0 3 284.425 2.053 10 0 CEAEHN COC[C@@H](C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000103428394 285199743 /nfs/dbraw/zinc/19/97/43/285199743.db2.gz DEUVYHNGZTVMCP-OLZOCXBDSA-N 0 3 296.436 2.284 10 0 CEAEHN CCN[C@H](C)[C@@H](C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081954491 177907447 /nfs/dbraw/zinc/90/74/47/177907447.db2.gz ZPXNQXWGZJZOEZ-CHWSQXEVSA-N 0 3 269.410 2.464 10 0 CEAEHN CCN[C@@H](CC)[C@@H](C)S(=O)(=O)c1ccc(OC)cc1 ZINC000081923275 177896532 /nfs/dbraw/zinc/89/65/32/177896532.db2.gz RXOGJBSAXOXHRN-RISCZKNCSA-N 0 3 285.409 2.246 10 0 CEAEHN COCCSC[C@@H](N)c1cc(C)ccc1OC ZINC000081779676 177858982 /nfs/dbraw/zinc/85/89/82/177858982.db2.gz NMIACAGWPSYBJQ-GFCCVEGCSA-N 0 3 255.383 2.383 10 0 CEAEHN O=C([O-])[C@]1(NC2CC2)CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000093748892 184712996 /nfs/dbraw/zinc/71/29/96/184712996.db2.gz KNTHYCSWXWZVGR-ZBFHGGJFSA-N 0 3 280.412 2.380 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)N[C@H]1CCc2cc(N)ccc21 ZINC000094080688 184753893 /nfs/dbraw/zinc/75/38/93/184753893.db2.gz JYWZOYOZIKOSLO-NHYWBVRUSA-N 0 3 275.396 2.103 10 0 CEAEHN CCCN[C@@H](C(OC)OC)[C@H]1CCCc2cccnc21 ZINC000094138803 184755882 /nfs/dbraw/zinc/75/58/82/184755882.db2.gz WFIIWSLAHKEMAT-DZGCQCFKSA-N 0 3 278.396 2.489 10 0 CEAEHN CCC(N)(CC)C(=O)Nc1ccc(-n2ccnc2C)nc1 ZINC000094243792 184769014 /nfs/dbraw/zinc/76/90/14/184769014.db2.gz YMEUZQFFZKDUFW-UHFFFAOYSA-N 0 3 287.367 2.032 10 0 CEAEHN CCC(N)(CC)C(=O)Nc1ccccc1[C@@H](C)O ZINC000094245285 184769081 /nfs/dbraw/zinc/76/90/81/184769081.db2.gz LAVBMJQEIUCEBU-SNVBAGLBSA-N 0 3 250.342 2.196 10 0 CEAEHN CC1(C)CC[C@H](S(=O)(=O)CC2CCCC2)[C@@H]1N ZINC000094311621 184778506 /nfs/dbraw/zinc/77/85/06/184778506.db2.gz YEMZVBAPGQECQU-RYUDHWBXSA-N 0 3 259.415 2.107 10 0 CEAEHN Cn1cc(Sc2nc(C(F)(F)F)ccc2CN)cn1 ZINC000094337273 184783599 /nfs/dbraw/zinc/78/35/99/184783599.db2.gz YUPQPQUWMAAOMR-UHFFFAOYSA-N 0 3 288.298 2.444 10 0 CEAEHN COc1ncccc1CN[C@@H]1CCCS[C@H]1C ZINC000094477777 184808253 /nfs/dbraw/zinc/80/82/53/184808253.db2.gz LQEJBNCQFUUCTB-CMPLNLGQSA-N 0 3 252.383 2.464 10 0 CEAEHN CCc1ccsc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000094876899 184886813 /nfs/dbraw/zinc/88/68/13/184886813.db2.gz NWMPHYDGOLDHBH-LLVKDONJSA-N 0 3 254.399 2.300 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cc(Cl)ccc1F ZINC000282212545 195540047 /nfs/dbraw/zinc/54/00/47/195540047.db2.gz DMBASZHEDZPNTF-UFBFGSQYSA-N 0 3 270.735 2.236 10 0 CEAEHN CCC[C@H](C(=O)NCCc1ccc(F)c(F)c1)N(C)C ZINC000191675421 130276588 /nfs/dbraw/zinc/27/65/88/130276588.db2.gz NLVUWSZMKBQXAS-CQSZACIVSA-N 0 3 284.350 2.354 10 0 CEAEHN CO[C@H](C)[C@H](C)N[C@H](CN(C)C)c1ccccc1 ZINC000252711089 131137389 /nfs/dbraw/zinc/13/73/89/131137389.db2.gz INJXGDOURXYGEL-GZBFAFLISA-N 0 3 250.386 2.302 10 0 CEAEHN CCC[C@@](C)(N)C(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000262717044 131254660 /nfs/dbraw/zinc/25/46/60/131254660.db2.gz VZOBATWBZGVOQI-KUHUBIRLSA-N 0 3 282.409 2.021 10 0 CEAEHN NCc1cnc(N2CCC(Cc3ccccc3)CC2)cn1 ZINC000071177765 134960644 /nfs/dbraw/zinc/96/06/44/134960644.db2.gz OOIMXYUXCNHDLT-UHFFFAOYSA-N 0 3 282.391 2.394 10 0 CEAEHN N[C@H]1CCN(C(=O)c2cccnc2)c2ccccc21 ZINC000071324150 134962388 /nfs/dbraw/zinc/96/23/88/134962388.db2.gz GSZNMZIZOOGDJN-ZDUSSCGKSA-N 0 3 253.305 2.132 10 0 CEAEHN CC[C@H]1CNCCN1c1ccccc1OC(F)F ZINC000083415202 135020065 /nfs/dbraw/zinc/02/00/65/135020065.db2.gz LMWLJRAWUIDXQW-JTQLQIEISA-N 0 3 256.296 2.476 10 0 CEAEHN c1ccc(C[C@@H]2CN(c3cccnc3)CCN2)cc1 ZINC000086122168 135038754 /nfs/dbraw/zinc/03/87/54/135038754.db2.gz UVEZYMAABVLSNW-OAHLLOKOSA-N 0 3 253.349 2.103 10 0 CEAEHN CCCNCCS(=O)(=O)N1c2ccccc2CC[C@H]1C ZINC000088914922 135057652 /nfs/dbraw/zinc/05/76/52/135057652.db2.gz AZBQEADDJFIOKE-CYBMUJFWSA-N 0 3 296.436 2.157 10 0 CEAEHN C[C@H](N)c1c(F)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906381 135066008 /nfs/dbraw/zinc/06/60/08/135066008.db2.gz RWJFAJHUJIOGOE-GARJFASQSA-N 0 3 250.317 2.213 10 0 CEAEHN C[C@H]1CCc2ccccc2N1C(=O)C[C@@H]1CSCCN1 ZINC000091133880 135067066 /nfs/dbraw/zinc/06/70/66/135067066.db2.gz WCGSFLJALYTLAB-GXTWGEPZSA-N 0 3 290.432 2.449 10 0 CEAEHN Cc1ncccc1N1CCN[C@H](Cc2ccccc2)C1 ZINC000091498318 135070959 /nfs/dbraw/zinc/07/09/59/135070959.db2.gz SPNFPJNDHVAFKK-MRXNPFEDSA-N 0 3 267.376 2.411 10 0 CEAEHN CC[C@](C)(N)C(=O)N1CCCc2cc(OC)ccc21 ZINC000094236803 135084578 /nfs/dbraw/zinc/08/45/78/135084578.db2.gz NZKSYLBRJVFISC-HNNXBMFYSA-N 0 3 262.353 2.102 10 0 CEAEHN CC[C@@H]1CN(c2nc(C(F)(F)F)ccc2CN)CCO1 ZINC000094334103 135085885 /nfs/dbraw/zinc/08/58/85/135085885.db2.gz OGEPGGQIJUXOCY-SNVBAGLBSA-N 0 3 289.301 2.174 10 0 CEAEHN CC1(C)CC[C@H](CN2CCN(c3ccccn3)CC2)[C@@H]1O ZINC000094319368 135086087 /nfs/dbraw/zinc/08/60/87/135086087.db2.gz XJNLVYONPVNUQS-ZBFHGGJFSA-N 0 3 289.423 2.001 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(Cl)nn1 ZINC000094442755 135089090 /nfs/dbraw/zinc/08/90/90/135089090.db2.gz MZZCLQXLSZSHFH-WDEREUQCSA-N 0 3 266.776 2.193 10 0 CEAEHN Cc1ccc2c(c1)nc(N1CCNCC1)c1cccn12 ZINC000013801466 394464553 /nfs/dbraw/zinc/46/45/53/394464553.db2.gz LCFCSDODEGYYOR-UHFFFAOYSA-N 0 3 266.348 2.206 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000227907269 394474712 /nfs/dbraw/zinc/47/47/12/394474712.db2.gz CNUQWDZMXQNSFZ-VXGBXAGGSA-N 0 3 283.334 2.438 10 0 CEAEHN COc1ccc(OC)c([C@H](C)NCC2CC(O)C2)c1 ZINC000091524155 394657885 /nfs/dbraw/zinc/65/78/85/394657885.db2.gz LQVYZHLKNJLZIU-UNXYVOJBSA-N 0 3 265.353 2.125 10 0 CEAEHN CC(C)[C@@H]1CCCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261967669 394610266 /nfs/dbraw/zinc/61/02/66/394610266.db2.gz LJFOISPFNKYWDH-HIFRSBDPSA-N 0 3 282.428 2.025 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1cccc(F)c1 ZINC000282059311 394903775 /nfs/dbraw/zinc/90/37/75/394903775.db2.gz BJIUXDHDFBILDD-CWSCBRNRSA-N 0 3 250.317 2.143 10 0 CEAEHN Cc1nnc([C@H](C)N2CCN3CCCC[C@H]3C2)s1 ZINC000338273961 394909602 /nfs/dbraw/zinc/90/96/02/394909602.db2.gz HZCKHQJGEZVNAO-JQWIXIFHSA-N 0 3 266.414 2.078 10 0 CEAEHN CO[C@H]1C[C@H](CO)N(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000343973869 395047814 /nfs/dbraw/zinc/04/78/14/395047814.db2.gz HLGICPSLAHZDKN-OLZOCXBDSA-N 0 3 289.297 2.287 10 0 CEAEHN CCc1nnc(CN[C@@H]2CCCC[C@H]2CC)n1C ZINC000163297263 395083605 /nfs/dbraw/zinc/08/36/05/395083605.db2.gz DXTJXNDDMFQSFK-VXGBXAGGSA-N 0 3 250.390 2.436 10 0 CEAEHN CCC[C@H]1C[C@H]1NCc1cc(C(=O)OC)c(C)n1C ZINC000291318821 395123978 /nfs/dbraw/zinc/12/39/78/395123978.db2.gz YPBJFSQHGBAEIA-SMDDNHRTSA-N 0 3 264.369 2.398 10 0 CEAEHN CC1(C)CCC[C@@H]1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000174980177 395129756 /nfs/dbraw/zinc/12/97/56/395129756.db2.gz HJWPOUDKFRXCAN-OLZOCXBDSA-N 0 3 265.401 2.055 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccn1 ZINC000174994872 395129947 /nfs/dbraw/zinc/12/99/47/395129947.db2.gz GFAGJUKPAOQGNK-QWHCGFSZSA-N 0 3 293.798 2.434 10 0 CEAEHN CCOC(=O)[C@@H](CC(C)C)N1CCN2CCCC[C@@H]2C1 ZINC000182340436 395239386 /nfs/dbraw/zinc/23/93/86/395239386.db2.gz JGHDCXYOVHXSIC-HUUCEWRRSA-N 0 3 282.428 2.134 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C/c2ccnc(Cl)c2)C1 ZINC000179224163 395185795 /nfs/dbraw/zinc/18/57/95/395185795.db2.gz JHLOLHRSRFKUAK-GFUIURDCSA-N 0 3 293.798 2.349 10 0 CEAEHN Cc1ccc(-c2noc(N3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000180236069 395200939 /nfs/dbraw/zinc/20/09/39/395200939.db2.gz FGTCZQBWBKYOMK-CQSZACIVSA-N 0 3 284.363 2.329 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccccc1N(C)C ZINC000180581728 395204806 /nfs/dbraw/zinc/20/48/06/395204806.db2.gz XUIOXFGAPKRHFA-STQMWFEESA-N 0 3 285.395 2.010 10 0 CEAEHN Cc1csc2c1ncnc2N1CC[C@H](N(C)C)C1 ZINC000192562699 395387280 /nfs/dbraw/zinc/38/72/80/395387280.db2.gz HVGDSFXMHSQWSU-JTQLQIEISA-N 0 3 262.382 2.140 10 0 CEAEHN O[C@@H]1CCC[C@H](CN2CCN(C3CCCC3)CC2)C1 ZINC000389419119 400537870 /nfs/dbraw/zinc/53/78/70/400537870.db2.gz NAEASKONXNNBHS-GOEBONIOSA-N 0 3 266.429 2.098 10 0 CEAEHN O[C@H]1CCC[C@H](CN2CCN(C3CCCC3)CC2)C1 ZINC000389419120 400538186 /nfs/dbraw/zinc/53/81/86/400538186.db2.gz NAEASKONXNNBHS-HOCLYGCPSA-N 0 3 266.429 2.098 10 0 CEAEHN CC(C)c1nc2n(n1)C[C@@H](NCc1ccc(F)nc1)CC2 ZINC000189071908 153077123 /nfs/dbraw/zinc/07/71/23/153077123.db2.gz YNAFCDUVAYGPCS-LBPRGKRZSA-N 0 3 289.358 2.040 10 0 CEAEHN CC(C)C(CNC(=O)N1CCN2CCC[C@H]2C1)C(C)C ZINC000194370404 153253582 /nfs/dbraw/zinc/25/35/82/153253582.db2.gz MAHQHYXSIGWWKL-AWEZNQCLSA-N 0 3 281.444 2.404 10 0 CEAEHN O=C(Cc1ccc2c(c1)CCC2)N1CCN2CCC[C@@H]2C1 ZINC000195317164 153281598 /nfs/dbraw/zinc/28/15/98/153281598.db2.gz NRJIVPZUWBVWGE-QGZVFWFLSA-N 0 3 284.403 2.024 10 0 CEAEHN Cc1[nH]c2ccccc2c1CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195330844 153281612 /nfs/dbraw/zinc/28/16/12/153281612.db2.gz IIAGVFKOENHFHK-CQSZACIVSA-N 0 3 297.402 2.325 10 0 CEAEHN O=C(CCc1cc(F)ccc1F)N1CCN2CCC[C@@H]2C1 ZINC000195337180 153289006 /nfs/dbraw/zinc/28/90/06/153289006.db2.gz HYOVRJKBAWFUAE-CQSZACIVSA-N 0 3 294.345 2.204 10 0 CEAEHN COc1c(CNCC2(C(C)C)CC2)c(C)nn1C ZINC000227833194 153350339 /nfs/dbraw/zinc/35/03/39/153350339.db2.gz UQISHJCTDVKTDC-UHFFFAOYSA-N 0 3 251.374 2.263 10 0 CEAEHN CSc1ccsc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263108976 154017053 /nfs/dbraw/zinc/01/70/53/154017053.db2.gz ACUFVTUMAGLHEA-QMMMGPOBSA-N 0 3 296.421 2.096 10 0 CEAEHN CSc1ccsc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263108975 154018100 /nfs/dbraw/zinc/01/81/00/154018100.db2.gz ACUFVTUMAGLHEA-MRVPVSSYSA-N 0 3 296.421 2.096 10 0 CEAEHN CN1CCNC[C@@H]1c1noc([C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000263214944 154036151 /nfs/dbraw/zinc/03/61/51/154036151.db2.gz KSNATWZBFPIXRV-BFHYXJOUSA-N 0 3 290.411 2.330 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@H]1c1nc([C@H]2CNCCN2C)no1 ZINC000263221717 154038247 /nfs/dbraw/zinc/03/82/47/154038247.db2.gz LZTACJUSLGQESE-RRFJBIMHSA-N 0 3 298.390 2.225 10 0 CEAEHN CCc1onc(C)c1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000164659911 162337554 /nfs/dbraw/zinc/33/75/54/162337554.db2.gz PYYZUVPZLJVNFX-LBPRGKRZSA-N 0 3 281.400 2.252 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccccc1N(C)C ZINC000180581745 287071755 /nfs/dbraw/zinc/07/17/55/287071755.db2.gz XUIOXFGAPKRHFA-OLZOCXBDSA-N 0 3 285.395 2.010 10 0 CEAEHN CC(C)c1nc([C@H]2CCCN2C(=O)CN(C)C(C)C)no1 ZINC000173595202 165080514 /nfs/dbraw/zinc/08/05/14/165080514.db2.gz MXZQXADITBEIOE-GFCCVEGCSA-N 0 3 294.399 2.197 10 0 CEAEHN CCN(CC)CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173753749 165081459 /nfs/dbraw/zinc/08/14/59/165081459.db2.gz MZHGLPJWPIDEIV-LBPRGKRZSA-N 0 3 294.399 2.198 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCC(F)(F)F ZINC000173833377 165088393 /nfs/dbraw/zinc/08/83/93/165088393.db2.gz QPFYPARQVNRDGF-SNVBAGLBSA-N 0 3 268.323 2.421 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCC2(C(C)C)CC2)C1 ZINC000175594606 165140386 /nfs/dbraw/zinc/14/03/86/165140386.db2.gz ARUPCYXCIFDSAJ-ZDUSSCGKSA-N 0 3 267.417 2.206 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCC(C)C ZINC000176132262 165156619 /nfs/dbraw/zinc/15/66/19/165156619.db2.gz XEYQYGKZVDLGMM-ZDUSSCGKSA-N 0 3 255.406 2.158 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC[C@@H](C)N2CCOCC2)s1 ZINC000177730743 165207159 /nfs/dbraw/zinc/20/71/59/165207159.db2.gz DOWWGTZAKYAGQO-MNOVXSKESA-N 0 3 283.441 2.131 10 0 CEAEHN CCc1nc(CN2CCN3CCCC[C@@H]3C2)cs1 ZINC000177757598 165207475 /nfs/dbraw/zinc/20/74/75/165207475.db2.gz PJWPIAXMEIWLTF-CYBMUJFWSA-N 0 3 265.426 2.376 10 0 CEAEHN CCCC[C@@H](C(=O)OC)N1CCC[C@@H]1Cn1ccnc1C ZINC000178317410 165234578 /nfs/dbraw/zinc/23/45/78/165234578.db2.gz BTJREJMSSCJSHZ-CABCVRRESA-N 0 3 293.411 2.388 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(OCCC(C)C)CC1 ZINC000178428041 165241564 /nfs/dbraw/zinc/24/15/64/165241564.db2.gz OAYFDZMJQDSCNS-UKRRQHHQSA-N 0 3 284.444 2.414 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccco1)CC2 ZINC000180628359 165318147 /nfs/dbraw/zinc/31/81/47/165318147.db2.gz XHFXVASGRUIRRE-MNOVXSKESA-N 0 3 260.341 2.099 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC[C@H]1CCCCO1 ZINC000181423158 165339165 /nfs/dbraw/zinc/33/91/65/165339165.db2.gz ZAIQLYYFSRMABH-HUUCEWRRSA-N 0 3 299.459 2.221 10 0 CEAEHN CC(C)(C)OC(=O)CCCN1CCC[C@@H](n2cncn2)C1 ZINC000181853224 165356897 /nfs/dbraw/zinc/35/68/97/165356897.db2.gz FAWXGMXKYGRWMD-CYBMUJFWSA-N 0 3 294.399 2.037 10 0 CEAEHN CC(C)COCCC(=O)Nc1ccccc1CN ZINC000019280027 170771027 /nfs/dbraw/zinc/77/10/27/170771027.db2.gz FXUXRTCCDFBIHP-UHFFFAOYSA-N 0 3 250.342 2.147 10 0 CEAEHN NC[C@H](c1ccc(Cl)cc1)N1CCSCC1 ZINC000020257081 171111742 /nfs/dbraw/zinc/11/17/42/171111742.db2.gz VNXJHTICRGIKSW-GFCCVEGCSA-N 0 3 256.802 2.389 10 0 CEAEHN CCCCOCCO[C@H]1COc2ccccc2[C@@H]1N ZINC000020509979 171230462 /nfs/dbraw/zinc/23/04/62/171230462.db2.gz KGZYTRPVENAREO-GJZGRUSLSA-N 0 3 265.353 2.281 10 0 CEAEHN CCOC(=O)C[C@@H](N)c1ccc(OC(F)F)cc1 ZINC000020577678 171256226 /nfs/dbraw/zinc/25/62/26/171256226.db2.gz NFOBREVXWRUPRP-SNVBAGLBSA-N 0 3 259.252 2.241 10 0 CEAEHN CCCN(CCC)CC(=O)Nc1ccc(OC)cc1N ZINC000022151789 171359245 /nfs/dbraw/zinc/35/92/45/171359245.db2.gz CZQIVLSZMLVFLK-UHFFFAOYSA-N 0 3 279.384 2.338 10 0 CEAEHN C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2CN)[C@@H]1C ZINC000022165826 171365948 /nfs/dbraw/zinc/36/59/48/171365948.db2.gz QFFMHZXKRHPIGI-BZPMIXESSA-N 0 3 296.436 2.248 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccccc1CN ZINC000022177187 171370895 /nfs/dbraw/zinc/37/08/95/171370895.db2.gz WFTNUEOUTXDLMM-VXGBXAGGSA-N 0 3 282.409 2.097 10 0 CEAEHN CN(C)[C@H](CN)c1ccc(F)c(Br)c1 ZINC000022177469 171371728 /nfs/dbraw/zinc/37/17/28/171371728.db2.gz YDKHHTBYHRGNGB-SNVBAGLBSA-N 0 3 261.138 2.150 10 0 CEAEHN CN(C)[C@@H](CN)c1cc(Br)ccc1F ZINC000022219042 171376955 /nfs/dbraw/zinc/37/69/55/171376955.db2.gz MYEGCPVPTYMWDW-JTQLQIEISA-N 0 3 261.138 2.150 10 0 CEAEHN N[C@H](CN1CCOCC1)c1ccc2ccccc2c1 ZINC000022563546 171391412 /nfs/dbraw/zinc/39/14/12/171391412.db2.gz XUKYDJKOHHJDSZ-MRXNPFEDSA-N 0 3 256.349 2.172 10 0 CEAEHN COc1ccc([C@H](N)COCC(F)(F)F)cc1OC ZINC000022567059 171392452 /nfs/dbraw/zinc/39/24/52/171392452.db2.gz CVVLDENDHGATLB-SECBINFHSA-N 0 3 279.258 2.283 10 0 CEAEHN CN(C(=O)c1c[nH]c2ccccc12)C1CCN(C)CC1 ZINC000035134576 172000578 /nfs/dbraw/zinc/00/05/78/172000578.db2.gz HSYMYOXCJNHNJO-UHFFFAOYSA-N 0 3 271.364 2.334 10 0 CEAEHN Fc1cccc(CN[C@H]2CN3CCC2CC3)c1F ZINC000035223673 172067863 /nfs/dbraw/zinc/06/78/63/172067863.db2.gz XYLAGPINSRUZML-ZDUSSCGKSA-N 0 3 252.308 2.149 10 0 CEAEHN CCCCN(CC)c1nc2sccn2c1CN ZINC000035429793 172198369 /nfs/dbraw/zinc/19/83/69/172198369.db2.gz LNVQUJZLGFVGKB-UHFFFAOYSA-N 0 3 252.387 2.481 10 0 CEAEHN CC(C)NCc1c(N2CCCC2)nc2ccccn21 ZINC000035433848 172201838 /nfs/dbraw/zinc/20/18/38/172201838.db2.gz SZXKHWHCUGUADE-UHFFFAOYSA-N 0 3 258.369 2.433 10 0 CEAEHN C[C@@H](O)c1c(F)cccc1N(C)C1CCN(C)CC1 ZINC000035631316 172313590 /nfs/dbraw/zinc/31/35/90/172313590.db2.gz TYOUNUQPLDCUPE-LLVKDONJSA-N 0 3 266.360 2.409 10 0 CEAEHN CCNCc1cc(Cl)cc(Cl)c1O[C@@H](C)C(N)=O ZINC000035662078 172340285 /nfs/dbraw/zinc/34/02/85/172340285.db2.gz NHRYLEGMOIOTBB-ZETCQYMHSA-N 0 3 291.178 2.356 10 0 CEAEHN CC(C)c1ccc2c(c1)[C@H](N)[C@H](C)CS2(=O)=O ZINC000035755743 172396601 /nfs/dbraw/zinc/39/66/01/172396601.db2.gz UEOUHOVNFXMWJR-NOZJJQNGSA-N 0 3 253.367 2.233 10 0 CEAEHN CC[C@H]1CO[C@@H](c2ccc(OC)cc2OC)CN1 ZINC000036672915 172650238 /nfs/dbraw/zinc/65/02/38/172650238.db2.gz CLWBGCRKLBTKHL-IINYFYTJSA-N 0 3 251.326 2.143 10 0 CEAEHN CC(C)(C)OC(=O)N[C@@H](CN)c1cc(F)ccc1F ZINC000037228269 173048018 /nfs/dbraw/zinc/04/80/18/173048018.db2.gz QTPBOOVRMRCRTN-NSHDSACASA-N 0 3 272.295 2.489 10 0 CEAEHN COC(=O)CCN[C@@H](C)c1c(C)cc(C)nc1C ZINC000037252240 173064190 /nfs/dbraw/zinc/06/41/90/173064190.db2.gz BSGHGDDHZZVFNA-NSHDSACASA-N 0 3 250.342 2.221 10 0 CEAEHN CN(CCc1ccccn1)Cc1ccc(O)c(N)c1 ZINC000037272937 173084429 /nfs/dbraw/zinc/08/44/29/173084429.db2.gz OCFVQJZXZAGWIK-UHFFFAOYSA-N 0 3 257.337 2.044 10 0 CEAEHN COC(=O)C[C@H](N)c1cc(Cl)c2c(c1)OCCCO2 ZINC000037324579 173125534 /nfs/dbraw/zinc/12/55/34/173125534.db2.gz DTEMPMJRTOFGCM-JTQLQIEISA-N 0 3 285.727 2.064 10 0 CEAEHN CN(C)c1ccc(NC(=O)CNC2CCCC2)cc1 ZINC000037386822 173169384 /nfs/dbraw/zinc/16/93/84/173169384.db2.gz XCEDNGFHBGTNMG-UHFFFAOYSA-N 0 3 261.369 2.223 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000037395304 173175551 /nfs/dbraw/zinc/17/55/51/173175551.db2.gz JBTCYBSKDLRNGJ-VIFPVBQESA-N 0 3 298.770 2.438 10 0 CEAEHN CSCc1ccc(CN[C@@H]2CN3CCC2CC3)o1 ZINC000037414524 173190900 /nfs/dbraw/zinc/19/09/00/173190900.db2.gz CLQXHBLOSHFEMA-CQSZACIVSA-N 0 3 266.410 2.326 10 0 CEAEHN CSc1ccc([C@](C)(NC(C)C)C(N)=O)cc1 ZINC000037446606 173213363 /nfs/dbraw/zinc/21/33/63/173213363.db2.gz QKKFNEYSYQETKB-ZDUSSCGKSA-N 0 3 252.383 2.107 10 0 CEAEHN O[C@H]1CCCC[C@H]1N1CCN(Cc2ccccc2)CC1 ZINC000037490602 173232222 /nfs/dbraw/zinc/23/22/22/173232222.db2.gz RHZYYYBROVMBMN-SJORKVTESA-N 0 3 274.408 2.108 10 0 CEAEHN CCCN[C@](CC)(C(N)=O)c1cccc(Cl)c1 ZINC000037513847 173244931 /nfs/dbraw/zinc/24/49/31/173244931.db2.gz AIGHKRZSUVTXSD-ZDUSSCGKSA-N 0 3 254.761 2.430 10 0 CEAEHN CCN(CC)C[C@H]1CN(C(=O)c2ccc(C)cc2)CCO1 ZINC000037545235 173264689 /nfs/dbraw/zinc/26/46/89/173264689.db2.gz VQQJXRPXEBBDKK-INIZCTEOSA-N 0 3 290.407 2.178 10 0 CEAEHN C[C@H](NCCc1ccco1)C(=O)Nc1ccccc1 ZINC000037975571 173930585 /nfs/dbraw/zinc/93/05/85/173930585.db2.gz IACOXCSFGROJTA-LBPRGKRZSA-N 0 3 258.321 2.439 10 0 CEAEHN CCN1CCC(N(C)C(=O)c2cc(Cl)ccn2)CC1 ZINC000037981482 173941731 /nfs/dbraw/zinc/94/17/31/173941731.db2.gz UQJOFMFNOZWXJB-UHFFFAOYSA-N 0 3 281.787 2.291 10 0 CEAEHN CCn1c(CN[C@@H]2CCC[C@H](O)C2)nc2ccccc21 ZINC000038046838 174055869 /nfs/dbraw/zinc/05/58/69/174055869.db2.gz IJQFWKJZEICZEN-OLZOCXBDSA-N 0 3 273.380 2.449 10 0 CEAEHN CC[C@@H](C)N[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000038065672 174076745 /nfs/dbraw/zinc/07/67/45/174076745.db2.gz VHFZWFXJVZSBQP-RNCFNFMXSA-N 0 3 254.761 2.429 10 0 CEAEHN COC(=O)c1ccccc1CNCC[C@@H]1CCCO1 ZINC000038096199 174110403 /nfs/dbraw/zinc/11/04/03/174110403.db2.gz ONSMPRQFZSNZRE-ZDUSSCGKSA-N 0 3 263.337 2.132 10 0 CEAEHN C[C@@H]1c2ccsc2CCN1C(=O)[C@@](C)(N)C1CC1 ZINC000038100931 174115922 /nfs/dbraw/zinc/11/59/22/174115922.db2.gz XCZBAWWPPJUPSK-OTYXRUKQSA-N 0 3 264.394 2.321 10 0 CEAEHN CNCc1nc2cc(C(F)(F)F)ccc2n1CCCO ZINC000040402516 174253790 /nfs/dbraw/zinc/25/37/90/174253790.db2.gz FLYRNSSZZOPXBE-UHFFFAOYSA-N 0 3 287.285 2.157 10 0 CEAEHN COC(=O)C[C@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491081 174292388 /nfs/dbraw/zinc/29/23/88/174292388.db2.gz LHQOARUMXRQGBM-QWRGUYRKSA-N 0 3 281.352 2.306 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2N)C1 ZINC000040501639 174297862 /nfs/dbraw/zinc/29/78/62/174297862.db2.gz ZAOUFULJCPMXME-NSHDSACASA-N 0 3 281.787 2.136 10 0 CEAEHN C[C@@H](NCc1cc2c(s1)CCC2)C(=O)N1CCCC1 ZINC000040627604 174357032 /nfs/dbraw/zinc/35/70/32/174357032.db2.gz ZZWUWXRGAPYIAJ-LLVKDONJSA-N 0 3 278.421 2.337 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000040630216 174358047 /nfs/dbraw/zinc/35/80/47/174358047.db2.gz PCJBEQJGCICIBL-WDEREUQCSA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000040631117 174358509 /nfs/dbraw/zinc/35/85/09/174358509.db2.gz PSMLCLYWKVFNLX-XVKPBYJWSA-N 0 3 289.162 2.309 10 0 CEAEHN COc1ccc(-c2c[nH]c([C@@H]3C[C@@H](OC)CN3)n2)cc1 ZINC000040637885 174361796 /nfs/dbraw/zinc/36/17/96/174361796.db2.gz ZZXGEUULKASWIA-OLZOCXBDSA-N 0 3 273.336 2.135 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3ccccc3C)c[nH]2)C1 ZINC000040637846 174362145 /nfs/dbraw/zinc/36/21/45/174362145.db2.gz IWWHVBKSEFUFMV-DGCLKSJQSA-N 0 3 257.337 2.435 10 0 CEAEHN Cc1cc(=O)n(C[C@H](N)c2ccc3ccccc3c2)cn1 ZINC000040728131 174387986 /nfs/dbraw/zinc/38/79/86/174387986.db2.gz HMYJXCYXDMXTLJ-INIZCTEOSA-N 0 3 279.343 2.405 10 0 CEAEHN CC(C)(C)c1nc(Cn2cc(C(C)(C)N)nn2)cs1 ZINC000070118045 414765589 /nfs/dbraw/zinc/76/55/89/414765589.db2.gz QMCRNPGPPFUCIG-UHFFFAOYSA-N 0 3 279.413 2.274 10 0 CEAEHN CCCCOC[C@H](O)CN1CC(C)(C)OC[C@@H]1CC ZINC000403932929 414772199 /nfs/dbraw/zinc/77/21/99/414772199.db2.gz IEBIESJHUHXNEU-UONOGXRCSA-N 0 3 273.417 2.053 10 0 CEAEHN Fc1cc(Cl)ccc1CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000404289476 414778403 /nfs/dbraw/zinc/77/84/03/414778403.db2.gz ZPDPTFPMDXHCLM-KBPBESRZSA-N 0 3 284.762 2.042 10 0 CEAEHN Fc1ccc(CN2CC[C@H]3OCCN[C@@H]3C2)cc1Cl ZINC000404253517 414779614 /nfs/dbraw/zinc/77/96/14/414779614.db2.gz KNJNNGNZBPWBBA-ZIAGYGMSSA-N 0 3 284.762 2.042 10 0 CEAEHN CN(C(=O)c1cccc(Cl)c1)[C@H](CN)C(F)(F)F ZINC000662976248 414815814 /nfs/dbraw/zinc/81/58/14/414815814.db2.gz MSGMONHOGOWSKS-SECBINFHSA-N 0 3 280.677 2.302 10 0 CEAEHN Cc1c(F)cccc1C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662987776 414818828 /nfs/dbraw/zinc/81/88/28/414818828.db2.gz YWFYCPJRWFVACA-JTQLQIEISA-N 0 3 278.249 2.096 10 0 CEAEHN CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@@H](CN)C(F)(F)F ZINC000662986386 414819440 /nfs/dbraw/zinc/81/94/40/414819440.db2.gz DLCPEWMYYSDLAR-ZJUUUORDSA-N 0 3 278.318 2.305 10 0 CEAEHN COc1cc(F)cc(CN[C@@H]2CCC[C@H](O)C2)c1 ZINC000312250817 414862669 /nfs/dbraw/zinc/86/26/69/414862669.db2.gz BFWRUKFNMRNSEG-OLZOCXBDSA-N 0 3 253.317 2.227 10 0 CEAEHN CC[C@H](O)COc1cc2c(cc1CNC(C)C)OCO2 ZINC000042874842 174900053 /nfs/dbraw/zinc/90/00/53/174900053.db2.gz BFHGVQMPSDIWSO-LBPRGKRZSA-N 0 3 281.352 2.063 10 0 CEAEHN N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043299902 175000427 /nfs/dbraw/zinc/00/04/27/175000427.db2.gz PSMBNAWYTCOPES-KCJUWKMLSA-N 0 3 293.310 2.140 10 0 CEAEHN CCN[C@H](c1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300950 175001475 /nfs/dbraw/zinc/00/14/75/175001475.db2.gz ZCDYQZDCYKUOOQ-HUUCEWRRSA-N 0 3 281.421 2.334 10 0 CEAEHN CCN[C@H](c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301047 175002075 /nfs/dbraw/zinc/00/20/75/175002075.db2.gz LLBKZBYUAXVOAB-LSDHHAIUSA-N 0 3 281.421 2.389 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2cccc(C)c2C)CCO1 ZINC000043314643 175004951 /nfs/dbraw/zinc/00/49/51/175004951.db2.gz BZBVMZICURKKJD-ZBFHGGJFSA-N 0 3 262.397 2.414 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cc(OC)ccc1Cl ZINC000043318630 175005676 /nfs/dbraw/zinc/00/56/76/175005676.db2.gz KKLGFHRGHMUXSQ-JTQLQIEISA-N 0 3 256.733 2.415 10 0 CEAEHN NC[C@H](Oc1ccc(F)cc1F)c1cccnc1 ZINC000043349194 175019132 /nfs/dbraw/zinc/01/91/32/175019132.db2.gz GSNDEUOFXCTVID-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN CN(Cc1cccc(F)c1)[C@H](CN)c1ccncc1 ZINC000043353200 175020260 /nfs/dbraw/zinc/02/02/60/175020260.db2.gz ZRBRDZBBFICUKP-OAHLLOKOSA-N 0 3 259.328 2.353 10 0 CEAEHN O=S1(=O)CCC(NCc2ccc(Cl)c(F)c2)CC1 ZINC000043388907 175032849 /nfs/dbraw/zinc/03/28/49/175032849.db2.gz ZCZDUSKHRXGUMA-UHFFFAOYSA-N 0 3 291.775 2.146 10 0 CEAEHN CN[C@H](CN1CCC(C)CC1)c1ccc2c(c1)OCO2 ZINC000043806395 175108701 /nfs/dbraw/zinc/10/87/01/175108701.db2.gz BBBLOQBIMJKSTR-CQSZACIVSA-N 0 3 276.380 2.408 10 0 CEAEHN CN[C@H](CN1CCOC(C)(C)C1)c1ccccc1OC ZINC000043897629 175120354 /nfs/dbraw/zinc/12/03/54/175120354.db2.gz RNPGSDFBDYEVFJ-CQSZACIVSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOc1ccc([C@@H](CN2CCOC(C)(C)C2)NC)cc1 ZINC000043897675 175120441 /nfs/dbraw/zinc/12/04/41/175120441.db2.gz HGEKYUFXGQXVDD-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN CCOc1ccccc1[C@H](CN(C)C1CCOCC1)NC ZINC000043898235 175121104 /nfs/dbraw/zinc/12/11/04/175121104.db2.gz OGYGENFHBSWYEA-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@H](CN(C)CC(F)(F)F)c1ccc(OC)cc1 ZINC000043900583 175121919 /nfs/dbraw/zinc/12/19/19/175121919.db2.gz CPNGVQBECVZWEQ-GFCCVEGCSA-N 0 3 276.302 2.450 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N(CCOC)C1CC1 ZINC000043970014 175131002 /nfs/dbraw/zinc/13/10/02/175131002.db2.gz WBFJOFAVGRMQJD-RDJZCZTQSA-N 0 3 290.407 2.209 10 0 CEAEHN O=C(CCN[C@@H]1CCCc2cc(O)ccc21)N1CCCC1 ZINC000044746861 175242693 /nfs/dbraw/zinc/24/26/93/175242693.db2.gz UQWSMYFBRHSRDL-MRXNPFEDSA-N 0 3 288.391 2.372 10 0 CEAEHN CN(C(=O)[C@H](CN)Cc1ccccc1)c1ccccc1 ZINC000044795991 175254672 /nfs/dbraw/zinc/25/46/72/175254672.db2.gz GDFREKNVBHQUOZ-HNNXBMFYSA-N 0 3 268.360 2.467 10 0 CEAEHN Cc1ccc(C(N)=S)c(NC[C@H](C)N2CCCCC2)n1 ZINC000045010092 175289319 /nfs/dbraw/zinc/28/93/19/175289319.db2.gz MHLJHVYCYCMWGY-LBPRGKRZSA-N 0 3 292.452 2.311 10 0 CEAEHN CC(C)NCCS(=O)(=O)NCc1ccc(C(C)C)cc1 ZINC000045047323 175296629 /nfs/dbraw/zinc/29/66/29/175296629.db2.gz TWRDEOPILDEFQZ-UHFFFAOYSA-N 0 3 298.452 2.227 10 0 CEAEHN CN(CC(N)=S)Cc1ccc(F)c(Br)c1 ZINC000045063108 175298716 /nfs/dbraw/zinc/29/87/16/175298716.db2.gz CHIZBFGDKCZPJG-UHFFFAOYSA-N 0 3 291.189 2.306 10 0 CEAEHN CCCN(CC(N)=S)[C@@H](C)C(=O)Nc1ccccc1 ZINC000045093534 175307200 /nfs/dbraw/zinc/30/72/00/175307200.db2.gz DLIAUPBOVANNMA-NSHDSACASA-N 0 3 279.409 2.012 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000045168983 175319959 /nfs/dbraw/zinc/31/99/59/175319959.db2.gz QDPAZATYQOWYMM-KWBADKCTSA-N 0 3 251.374 2.255 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)N[C@@H](CO)CC(C)C ZINC000045172218 175321783 /nfs/dbraw/zinc/32/17/83/175321783.db2.gz PXYIPCUVRNPODC-GXFFZTMASA-N 0 3 253.390 2.095 10 0 CEAEHN CCCCN(CC)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045223350 175331661 /nfs/dbraw/zinc/33/16/61/175331661.db2.gz UGJVNUGFPRDLSA-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCOC(=O)[C@@](N)(CN(C)[C@@H](C)CC)c1ccccc1 ZINC000045263766 175337508 /nfs/dbraw/zinc/33/75/08/175337508.db2.gz AJVOQZCXNOHMDG-XJKSGUPXSA-N 0 3 278.396 2.134 10 0 CEAEHN CC[N@H+](CC[C@](C)(NC(C)C)C(=O)[O-])CC(C)C ZINC000045264170 175337754 /nfs/dbraw/zinc/33/77/54/175337754.db2.gz XECVCBCYYZDNQI-AWEZNQCLSA-N 0 3 258.406 2.196 10 0 CEAEHN CC[N@@H+](CC[C@](C)(NC(C)C)C(=O)[O-])CC(C)C ZINC000045264170 175337756 /nfs/dbraw/zinc/33/77/56/175337756.db2.gz XECVCBCYYZDNQI-AWEZNQCLSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN(CC[C@](C)([NH2+]C(C)C)C(=O)[O-])CC(C)C ZINC000045264170 175337757 /nfs/dbraw/zinc/33/77/57/175337757.db2.gz XECVCBCYYZDNQI-AWEZNQCLSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@@](C)(CN(C)C1CCCC1)C(=O)OCC ZINC000045266167 175339170 /nfs/dbraw/zinc/33/91/70/175339170.db2.gz CSXOLNCBKDBGRC-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCCCN(C)C[C@](C)(NCCC)C(=O)OC ZINC000045268145 175340802 /nfs/dbraw/zinc/34/08/02/175340802.db2.gz KWOGMXYTNTUNNF-AWEZNQCLSA-N 0 3 258.406 2.040 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(CC(C)C)C1CC1)NC(C)C ZINC000045277509 175347069 /nfs/dbraw/zinc/34/70/69/175347069.db2.gz IPMSWPBDMDUACH-MRXNPFEDSA-N 0 3 284.444 2.427 10 0 CEAEHN CCCN[C@](C)(CN(CC(C)C)C1CC1)C(=O)OC ZINC000045277498 175347809 /nfs/dbraw/zinc/34/78/09/175347809.db2.gz CZOUXZHNSKBKMQ-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCN[C@](C)(CN1CCC(CC)CC1)C(=O)OC ZINC000045281387 175352133 /nfs/dbraw/zinc/35/21/33/175352133.db2.gz YFOHTVDLFMDRPZ-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCC1CCN(CC[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281425 175352264 /nfs/dbraw/zinc/35/22/64/175352264.db2.gz BJDPEVNOIGRFBP-OAHLLOKOSA-N 0 3 268.401 2.094 10 0 CEAEHN CCC1CC[NH+](CC[C@@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000045281425 175352266 /nfs/dbraw/zinc/35/22/66/175352266.db2.gz BJDPEVNOIGRFBP-OAHLLOKOSA-N 0 3 268.401 2.094 10 0 CEAEHN CCN[C@](C)(CN(C)CC1CCCCC1)C(=O)OC ZINC000045281558 175352671 /nfs/dbraw/zinc/35/26/71/175352671.db2.gz GMOAUCRAEPQNQM-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@@H]2C[C@]2(C)OC)c1C ZINC000658333417 415324091 /nfs/dbraw/zinc/32/40/91/415324091.db2.gz YGEJIJCTKIKSOZ-IUPBHXKESA-N 0 3 251.374 2.348 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000070430359 175925324 /nfs/dbraw/zinc/92/53/24/175925324.db2.gz GHJMXLWEKNVUFC-FZMZJTMJSA-N 0 3 296.436 2.311 10 0 CEAEHN Cc1nn(Cc2nc(NN)ccc2Cl)cc1Cl ZINC000070704717 176002341 /nfs/dbraw/zinc/00/23/41/176002341.db2.gz KKEKSWVHSONENQ-UHFFFAOYSA-N 0 3 272.139 2.227 10 0 CEAEHN Cc1ncsc1CNC1=NC[C@@H](C2CC2)S1 ZINC000070889387 176010546 /nfs/dbraw/zinc/01/05/46/176010546.db2.gz GDRGGNWKNXGGBD-JTQLQIEISA-N 0 3 253.396 2.423 10 0 CEAEHN COc1ccc(Cl)c(N2CC[C@H](NC(C)C)C2=O)c1 ZINC000071031618 176023145 /nfs/dbraw/zinc/02/31/45/176023145.db2.gz BLYGGRNPPYKDOH-LBPRGKRZSA-N 0 3 282.771 2.452 10 0 CEAEHN Cc1nc(C)c([C@H](C)N2CC[C@@H](NC3CC3)C2=O)s1 ZINC000071036208 176025336 /nfs/dbraw/zinc/02/53/36/176025336.db2.gz AMPXISVETHWMSC-JOYOIKCWSA-N 0 3 279.409 2.174 10 0 CEAEHN COc1ccc(Cl)cc1N1CC[C@@H](NC(C)C)C1=O ZINC000071035963 176025482 /nfs/dbraw/zinc/02/54/82/176025482.db2.gz FRLSQIGWBFDMFN-LLVKDONJSA-N 0 3 282.771 2.452 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1cccc(Cl)c1F ZINC000071039001 176027158 /nfs/dbraw/zinc/02/71/58/176027158.db2.gz AOSIHUGQNHPSLP-SNVBAGLBSA-N 0 3 268.719 2.336 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1CCc1ccc(F)cc1 ZINC000071038169 176027329 /nfs/dbraw/zinc/02/73/29/176027329.db2.gz JSVKXSSWQHMSJH-HNNXBMFYSA-N 0 3 276.355 2.111 10 0 CEAEHN Cc1cc(N2CCC[C@H](NC3CC3)C2=O)ccc1F ZINC000071042700 176028404 /nfs/dbraw/zinc/02/84/04/176028404.db2.gz OHCMDUSFDYJTIL-AWEZNQCLSA-N 0 3 262.328 2.382 10 0 CEAEHN CC(C)N[C@H]1CCN(c2cc(F)c(F)cc2F)C1=O ZINC000071042640 176028609 /nfs/dbraw/zinc/02/86/09/176028609.db2.gz ISCHDAQTPVORAL-NSHDSACASA-N 0 3 272.270 2.207 10 0 CEAEHN COc1cc(CNC[C@@H]2OCCc3ccccc32)ccn1 ZINC000071091161 176031059 /nfs/dbraw/zinc/03/10/59/176031059.db2.gz JNAAWOAEOSTUEO-INIZCTEOSA-N 0 3 284.359 2.494 10 0 CEAEHN COc1cc(OC)cc(Oc2ccnc(C(=N)N)c2)c1 ZINC000071138469 176036716 /nfs/dbraw/zinc/03/67/16/176036716.db2.gz ONAJUXCJENXKHU-UHFFFAOYSA-N 0 3 273.292 2.175 10 0 CEAEHN Cc1c(Cl)nnc(N[C@H]2CCCN(C)C2)c1C ZINC000071171436 176052067 /nfs/dbraw/zinc/05/20/67/176052067.db2.gz YLRUGYWFMZWHEQ-JTQLQIEISA-N 0 3 254.765 2.253 10 0 CEAEHN C[C@@H](N)c1ccc2ccccc2c1O[C@H]1CCN(C)C1=O ZINC000071182983 176058272 /nfs/dbraw/zinc/05/82/72/176058272.db2.gz PGWOZFRWLPUNGT-ABAIWWIYSA-N 0 3 284.359 2.469 10 0 CEAEHN C[C@@H](C(=O)c1ccc(F)cc1F)N(C)C[C@@H]1CCN(C)C1 ZINC000071189881 176065620 /nfs/dbraw/zinc/06/56/20/176065620.db2.gz XXYZMBAIZFZBQI-NWDGAFQWSA-N 0 3 296.361 2.420 10 0 CEAEHN CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000071192680 176074249 /nfs/dbraw/zinc/07/42/49/176074249.db2.gz LNLKDWBIJIMHAD-ZFWWWQNUSA-N 0 3 276.380 2.086 10 0 CEAEHN CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000071192680 176074250 /nfs/dbraw/zinc/07/42/50/176074250.db2.gz LNLKDWBIJIMHAD-ZFWWWQNUSA-N 0 3 276.380 2.086 10 0 CEAEHN c1cn([C@@H]2CCC[C@H]2NCc2cnn3ccccc23)cn1 ZINC000071373013 176138565 /nfs/dbraw/zinc/13/85/65/176138565.db2.gz AHFZLFMBWCIOSM-GDBMZVCRSA-N 0 3 281.363 2.414 10 0 CEAEHN Cc1ccc(O[C@H](C)C(=O)NC(C)(C)C)c(CN)c1 ZINC000071403351 176155038 /nfs/dbraw/zinc/15/50/38/176155038.db2.gz DLMXORRUCFCSLC-LLVKDONJSA-N 0 3 264.369 2.136 10 0 CEAEHN COC[C@@](C)(N)c1ccc(Br)s1 ZINC000077429993 177266337 /nfs/dbraw/zinc/26/63/37/177266337.db2.gz RPXJCJKKBHMADC-MRVPVSSYSA-N 0 3 250.161 2.331 10 0 CEAEHN Nc1ccncc1[C@H](O)c1ccc2ccccc2n1 ZINC000078597855 177358312 /nfs/dbraw/zinc/35/83/12/177358312.db2.gz PBSFIHLIPMPWCI-HNNXBMFYSA-N 0 3 251.289 2.294 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC2(CC2(F)F)CC1 ZINC000405165657 419401518 /nfs/dbraw/zinc/40/15/18/419401518.db2.gz LRLKMTMBDUJTEG-LBPRGKRZSA-N 0 3 277.355 2.285 10 0 CEAEHN C[C@H](C[C@@H]1COCCN1)N[C@@H](C)c1cc(F)ccc1F ZINC000133547340 419430328 /nfs/dbraw/zinc/43/03/28/419430328.db2.gz YYSXJAJBJREJRL-NTZNESFSSA-N 0 3 284.350 2.382 10 0 CEAEHN CCC[C@@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000187682970 270255313 /nfs/dbraw/zinc/25/53/13/270255313.db2.gz JXZNEQMRVHFYQW-NEPJUHHUSA-N 0 3 266.389 2.245 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCC2(CO)CC2)c1C ZINC000395865582 270348779 /nfs/dbraw/zinc/34/87/79/270348779.db2.gz GPCHVGGXGGLCSW-LLVKDONJSA-N 0 3 265.401 2.333 10 0 CEAEHN CC(C)(C)OC(=O)NCCC(C)(C)NCc1cncnc1 ZINC000397442869 270354197 /nfs/dbraw/zinc/35/41/97/270354197.db2.gz GPXRSMNDXRJGCF-UHFFFAOYSA-N 0 3 294.399 2.260 10 0 CEAEHN O[C@H](Cc1ccccc1)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000193672908 275058315 /nfs/dbraw/zinc/05/83/15/275058315.db2.gz JNZMOMZBOQPZQY-IKGGRYGDSA-N 0 3 275.392 2.233 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n(C)n1 ZINC000176993723 276169563 /nfs/dbraw/zinc/16/95/63/276169563.db2.gz MELGKHLTWRQVHK-CYBMUJFWSA-N 0 3 292.427 2.100 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2c(C)noc2C)C12CCOCC2 ZINC000186275484 276362562 /nfs/dbraw/zinc/36/25/62/276362562.db2.gz QLSXWWXOCUIUCW-CABCVRRESA-N 0 3 294.395 2.355 10 0 CEAEHN C[C@@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1nccn1C ZINC000343536138 278352172 /nfs/dbraw/zinc/35/21/72/278352172.db2.gz PMQDJKIRLBTGGS-YVECIDJPSA-N 0 3 251.374 2.274 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000263453178 279059851 /nfs/dbraw/zinc/05/98/51/279059851.db2.gz AGPRZSMMURCZFW-RYSNWHEDSA-N 0 3 282.428 2.338 10 0 CEAEHN C[C@H](CCn1cccn1)N[C@H]1COc2ccccc21 ZINC000183895640 279276475 /nfs/dbraw/zinc/27/64/75/279276475.db2.gz ANUZMQXBHCLMCB-OCCSQVGLSA-N 0 3 257.337 2.385 10 0 CEAEHN C[C@H](CNC(=O)[C@H]1CCCO[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000249208050 279343118 /nfs/dbraw/zinc/34/31/18/279343118.db2.gz CDKCTLBICRISGE-TUVASFSCSA-N 0 3 282.428 2.038 10 0 CEAEHN Cc1cc(C)c(CN2CCO[C@H](CN(C)C)C2)cc1C ZINC000128097398 279880020 /nfs/dbraw/zinc/88/00/20/279880020.db2.gz XBVMTQKVEXJKIY-QGZVFWFLSA-N 0 3 276.424 2.374 10 0 CEAEHN CCOC(=O)COCCN[C@@H](C)c1cccc(C)c1 ZINC000233679680 280219903 /nfs/dbraw/zinc/21/99/03/280219903.db2.gz WGIPAXDXLRFLBA-ZDUSSCGKSA-N 0 3 265.353 2.225 10 0 CEAEHN COC[C@H](C)OC[C@H](O)CN[C@H](C)c1cccc(C)c1 ZINC000234850460 280220893 /nfs/dbraw/zinc/22/08/93/280220893.db2.gz OUCIVPUMSFOMLU-SQWLQELKSA-N 0 3 281.396 2.058 10 0 CEAEHN C[C@H](CCS(C)(=O)=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000245602656 280252660 /nfs/dbraw/zinc/25/26/60/280252660.db2.gz GNLHFYFFOIPNIL-YWPYICTPSA-N 0 3 281.421 2.333 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)CCC2CC2)C1 ZINC000246513592 280298301 /nfs/dbraw/zinc/29/83/01/280298301.db2.gz UGZCBDBDCGBGNF-GXTWGEPZSA-N 0 3 267.417 2.157 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCS[C@@H](C(C)C)C1 ZINC000248646903 280357063 /nfs/dbraw/zinc/35/70/63/280357063.db2.gz HYGWHVMLUOUMSP-UONOGXRCSA-N 0 3 275.458 2.237 10 0 CEAEHN C[C@@H]1CCC[C@@H](CCN2CCCNC(=O)[C@H]2C)C1 ZINC000248890922 280371862 /nfs/dbraw/zinc/37/18/62/280371862.db2.gz AXISNPXKDRZUOS-MCIONIFRSA-N 0 3 252.402 2.413 10 0 CEAEHN CCc1ccccc1CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249081417 280382873 /nfs/dbraw/zinc/38/28/73/280382873.db2.gz ADWCUVHUZLVZPT-CABCVRRESA-N 0 3 276.424 2.136 10 0 CEAEHN C[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000249138792 280386503 /nfs/dbraw/zinc/38/65/03/280386503.db2.gz XJYBFRVMLMGODK-MGPQQGTHSA-N 0 3 267.417 2.301 10 0 CEAEHN Cc1cc(Cl)ccc1CN[C@@H]1CCC(=O)N[C@H]1C ZINC000282391656 280506365 /nfs/dbraw/zinc/50/63/65/280506365.db2.gz OZOKFJRFNWJXTM-GXFFZTMASA-N 0 3 266.772 2.405 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)CC(C)(C)CC(C)=O ZINC000191884224 281188521 /nfs/dbraw/zinc/18/85/21/281188521.db2.gz WCRBYOQRDIWDFD-LSDHHAIUSA-N 0 3 294.439 2.467 10 0 CEAEHN CCc1noc(C)c1NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000155303109 289170431 /nfs/dbraw/zinc/17/04/31/289170431.db2.gz SLOSUFXBPSFWKI-LLVKDONJSA-N 0 3 280.372 2.151 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CCO1 ZINC000152082149 289197053 /nfs/dbraw/zinc/19/70/53/289197053.db2.gz UKYUGDAKOOBILI-LSDHHAIUSA-N 0 3 296.455 2.382 10 0 CEAEHN CN(C)C[C@@H]1CN(CC2CCC(C)(C)CC2)CCO1 ZINC000156642625 289199806 /nfs/dbraw/zinc/19/98/06/289199806.db2.gz HCVDWBLYEKEJCW-OAHLLOKOSA-N 0 3 268.445 2.465 10 0 CEAEHN NC1(C(=O)N[C@H]2CCCc3ccccc32)CCCC1 ZINC000037616206 303356323 /nfs/dbraw/zinc/35/63/23/303356323.db2.gz RIDSNPOSMHOHDM-AWEZNQCLSA-N 0 3 258.365 2.452 10 0 CEAEHN CCc1nc(CN(C)C(=O)[C@]2(C)CCCCN2)cs1 ZINC000393245323 329085341 /nfs/dbraw/zinc/08/53/41/329085341.db2.gz SFCMDKORIFQADB-AWEZNQCLSA-N 0 3 281.425 2.196 10 0 CEAEHN COc1ccc2c(n1)c(CN)cn2C(=O)OC(C)(C)C ZINC000536952732 330382592 /nfs/dbraw/zinc/38/25/92/330382592.db2.gz FBBKUXRCRVIJJK-UHFFFAOYSA-N 0 3 277.324 2.287 10 0 CEAEHN COc1cc(Br)c2ccnc(CN)c2c1 ZINC000521400982 333249993 /nfs/dbraw/zinc/24/99/93/333249993.db2.gz IAXSNANMBOIOEH-UHFFFAOYSA-N 0 3 267.126 2.465 10 0 CEAEHN CC(C)CCN(C)Cc1ccnc(C(N)=S)c1 ZINC000068752229 519650833 /nfs/dbraw/zinc/65/08/33/519650833.db2.gz WLAORTQXCBOLNO-UHFFFAOYSA-N 0 3 251.399 2.194 10 0 CEAEHN CC(C)N1C(=O)C[C@H](N)[C@@H]1c1cccc(Cl)c1 ZINC000062209416 519666750 /nfs/dbraw/zinc/66/67/50/519666750.db2.gz VKXFWAWIAPSXHR-AAEUAGOBSA-N 0 3 252.745 2.349 10 0 CEAEHN CC(C)CN1CCN([C@@H]2CCCCCC[C@@H]2O)CC1 ZINC000055080991 519727670 /nfs/dbraw/zinc/72/76/70/519727670.db2.gz PNXUVASBSLOFQF-CVEARBPZSA-N 0 3 268.445 2.344 10 0 CEAEHN CC(C)CN1CCN(c2cccc(F)c2N)CC1 ZINC000055085629 519729273 /nfs/dbraw/zinc/72/92/73/519729273.db2.gz RFTJJSHARYDEAA-UHFFFAOYSA-N 0 3 251.349 2.186 10 0 CEAEHN CCCNCc1ccoc1CN(C)[C@@H](C)COC ZINC000052511440 519959085 /nfs/dbraw/zinc/95/90/85/519959085.db2.gz PDALUTCOJKULGD-LBPRGKRZSA-N 0 3 254.374 2.246 10 0 CEAEHN CCNCc1cc(CN2CCOC(C)(C)C2)oc1C ZINC000052481785 519990354 /nfs/dbraw/zinc/99/03/54/519990354.db2.gz YSSGBNOMQFQEKS-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN CCNCc1ccc(OC)cc1OC[C@@H](O)C(F)(F)F ZINC000068877037 519997717 /nfs/dbraw/zinc/99/77/17/519997717.db2.gz RLJYBJPCJJHUQI-GFCCVEGCSA-N 0 3 293.285 2.107 10 0 CEAEHN CCNCc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000052381044 520021442 /nfs/dbraw/zinc/02/14/42/520021442.db2.gz ZLPOTYFOUMQKKS-NSHDSACASA-N 0 3 253.415 2.485 10 0 CEAEHN CCCN[C@@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185546 520056517 /nfs/dbraw/zinc/05/65/17/520056517.db2.gz HVEXIJICHONUFD-OAHLLOKOSA-N 0 3 278.421 2.412 10 0 CEAEHN CCCN[C@H](CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000062525345 520071057 /nfs/dbraw/zinc/07/10/57/520071057.db2.gz GJSKXCNFKJWCSZ-CYBMUJFWSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@H](CC[N@@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000062525345 520071061 /nfs/dbraw/zinc/07/10/61/520071061.db2.gz GJSKXCNFKJWCSZ-CYBMUJFWSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@@H](Cc1nc(C)cs1)c1ccnn1C ZINC000069467882 520108602 /nfs/dbraw/zinc/10/86/02/520108602.db2.gz QOBCGWSUIXKEFQ-JTQLQIEISA-N 0 3 250.371 2.078 10 0 CEAEHN CCCN[C@](CSc1nc(C)cs1)(C(N)=O)C1CC1 ZINC000069187876 520125314 /nfs/dbraw/zinc/12/53/14/520125314.db2.gz ZRTTUMJIZBETTR-ZDUSSCGKSA-N 0 3 299.465 2.177 10 0 CEAEHN CCN[C@H](C)c1cc(Br)ccc1OCCO ZINC000052067351 520175935 /nfs/dbraw/zinc/17/59/35/520175935.db2.gz BHILFDHZIPXAKN-SECBINFHSA-N 0 3 288.185 2.491 10 0 CEAEHN CCN[C@H](CCCS(C)(=O)=O)c1ccccc1OC ZINC000063016723 520184370 /nfs/dbraw/zinc/18/43/70/520184370.db2.gz YIGKWTWNBSDOSN-CYBMUJFWSA-N 0 3 285.409 2.171 10 0 CEAEHN CCCCN(C)C[C@](NC1CC1)(C(=O)OCC)C1CC1 ZINC000069088884 520418679 /nfs/dbraw/zinc/41/86/79/520418679.db2.gz GGKNVIWLOKWPFY-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCN(CC)CCN[C@@]1(C(=O)OC)CCC[C@H](C)[C@@H]1C ZINC000068631301 520690046 /nfs/dbraw/zinc/69/00/46/520690046.db2.gz ADADNRLLUZAXJO-DZKIICNBSA-N 0 3 284.444 2.286 10 0 CEAEHN CCN(c1c(CNCC(C)C)c(C)nn1C)[C@H](C)COC ZINC000062737883 521476488 /nfs/dbraw/zinc/47/64/88/521476488.db2.gz WZBSHJZQDMPCJW-CYBMUJFWSA-N 0 3 296.459 2.335 10 0 CEAEHN CCNC(=O)CCN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000156963957 521735544 /nfs/dbraw/zinc/73/55/44/521735544.db2.gz FQVUAPWXFSUCFW-GFCCVEGCSA-N 0 3 281.425 2.157 10 0 CEAEHN CNCc1cc(Cl)ccc1OC[C@@H](O)C(F)(F)F ZINC000068876035 522111488 /nfs/dbraw/zinc/11/14/88/522111488.db2.gz LFPHTZADHYWERR-SNVBAGLBSA-N 0 3 283.677 2.361 10 0 CEAEHN CC[C@@H](C)N1CCN([C@@H](CN)c2cccs2)CC1 ZINC000055063841 522129987 /nfs/dbraw/zinc/12/99/87/522129987.db2.gz WPEGHSZIVUIXQY-OLZOCXBDSA-N 0 3 267.442 2.164 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCC(=O)OC(C)C ZINC000062746037 522333333 /nfs/dbraw/zinc/33/33/33/522333333.db2.gz XUDDZSLTCYIFFG-JTQLQIEISA-N 0 3 269.316 2.437 10 0 CEAEHN CN[C@@H](C1=CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000050327465 522342028 /nfs/dbraw/zinc/34/20/28/522342028.db2.gz OTMTXYBPJAAYQN-AWEZNQCLSA-N 0 3 265.378 2.461 10 0 CEAEHN CCc1nc(N2CCC[C@H]2CN(C)C)sc1C=O ZINC000061655551 522385354 /nfs/dbraw/zinc/38/53/54/522385354.db2.gz IENKOUHYVXEOMQ-JTQLQIEISA-N 0 3 267.398 2.048 10 0 CEAEHN CN[C@H](C)c1cnc(Cc2csc(C)n2)nc1C ZINC000055296861 522453050 /nfs/dbraw/zinc/45/30/50/522453050.db2.gz UXHHLEIKHISUJG-MRVPVSSYSA-N 0 3 262.382 2.421 10 0 CEAEHN CCN[C@@H](Cc1c(Cl)c(C)nn1C)c1cnn(C)c1C ZINC000097273944 517668434 /nfs/dbraw/zinc/66/84/34/517668434.db2.gz OOSIMRWRJBDUMT-LBPRGKRZSA-N 0 3 295.818 2.317 10 0 CEAEHN C(NC1=NC2(CS1)CCCCC2)[C@@H]1CCOC1 ZINC000061147025 518395577 /nfs/dbraw/zinc/39/55/77/518395577.db2.gz ZJNCJHAYNZRVML-NSHDSACASA-N 0 3 254.399 2.418 10 0 CEAEHN CC(=O)c1sc(N2CCC[C@H]2CN(C)C)nc1C ZINC000061655423 518497444 /nfs/dbraw/zinc/49/74/44/518497444.db2.gz NZVHNNARVGAFHJ-NSHDSACASA-N 0 3 267.398 2.185 10 0 CEAEHN CC(C)(C)NCc1c(N2CCOCC2)nc2sccn12 ZINC000062734105 518762360 /nfs/dbraw/zinc/76/23/60/518762360.db2.gz PNKFHNQTTMKUGG-UHFFFAOYSA-N 0 3 294.424 2.121 10 0 CEAEHN CC(C)N(CCCO)c1ccc(Cl)cc1CN ZINC000052857415 519644776 /nfs/dbraw/zinc/64/47/76/519644776.db2.gz GYPCAOHRERYVIW-UHFFFAOYSA-N 0 3 256.777 2.396 10 0 CEAEHN CC(C)N(Cc1cccnc1C(=N)N)CC(F)(F)F ZINC000061658310 519659194 /nfs/dbraw/zinc/65/91/94/519659194.db2.gz CXSYZECYIBKKCT-UHFFFAOYSA-N 0 3 274.290 2.138 10 0 CEAEHN CC(C)NCc1ccc(CN2CCSCC2)o1 ZINC000052425548 519726612 /nfs/dbraw/zinc/72/66/12/519726612.db2.gz AGDWWSARGIFYKG-UHFFFAOYSA-N 0 3 254.399 2.326 10 0 CEAEHN CC(C)N[C@H](CSc1cccc(Cl)c1)C(N)=O ZINC000054186397 519738709 /nfs/dbraw/zinc/73/87/09/519738709.db2.gz ARHVILCSAIDJGV-LLVKDONJSA-N 0 3 272.801 2.284 10 0 CEAEHN CC(C)CNCc1c(Cl)cccc1N1CCNC(=O)C1 ZINC000062734821 519746784 /nfs/dbraw/zinc/74/67/84/519746784.db2.gz YWVJTPFKPXVDHJ-UHFFFAOYSA-N 0 3 295.814 2.022 10 0 CEAEHN CC(C)CNCc1nc(-c2cnn(C)c2)cs1 ZINC000061800539 519748489 /nfs/dbraw/zinc/74/84/89/519748489.db2.gz SUDUFBCSHOKUTD-UHFFFAOYSA-N 0 3 250.371 2.289 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc(Cl)c(N)c1 ZINC000049191825 519814329 /nfs/dbraw/zinc/81/43/29/519814329.db2.gz QHOBTISYFRNZKU-ZDUSSCGKSA-N 0 3 283.803 2.238 10 0 CEAEHN CC(C)[C@H](CN(C)C)NCc1cnc2ccccc2n1 ZINC000049198468 519814589 /nfs/dbraw/zinc/81/45/89/519814589.db2.gz JCXMMBUKZHPHBE-INIZCTEOSA-N 0 3 272.396 2.306 10 0 CEAEHN CC(C)[C@H]1CCC(=O)[C@H](CN2CCC(CO)CC2)C1 ZINC000054558810 519824576 /nfs/dbraw/zinc/82/45/76/519824576.db2.gz NEZIPMQNXIAMKX-GJZGRUSLSA-N 0 3 267.413 2.332 10 0 CEAEHN CCCNCc1ccoc1CN1CCOCC1(C)C ZINC000052546080 519959788 /nfs/dbraw/zinc/95/97/88/519959788.db2.gz WGXLAHWVLAUVSB-UHFFFAOYSA-N 0 3 266.385 2.390 10 0 CEAEHN CCNCc1c(C)nn([C@@H]2CCCC[C@H]2O)c1C ZINC000054599983 519985443 /nfs/dbraw/zinc/98/54/43/519985443.db2.gz BQPHHUWEWZGBRY-ZIAGYGMSSA-N 0 3 251.374 2.085 10 0 CEAEHN CCNCc1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068875944 520010289 /nfs/dbraw/zinc/01/02/89/520010289.db2.gz BCCJHVNQONOBEU-LLVKDONJSA-N 0 3 263.259 2.098 10 0 CEAEHN CCCN[C@@H](Cc1nc(C)cs1)c1nccn1C ZINC000069473813 520016154 /nfs/dbraw/zinc/01/61/54/520016154.db2.gz UGCVJGRWZPBBID-NSHDSACASA-N 0 3 264.398 2.468 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1)[C@@H](C)S(C)(=O)=O ZINC000054930578 520018329 /nfs/dbraw/zinc/01/83/29/520018329.db2.gz OOLUSAVTZAZKCV-BXUZGUMPSA-N 0 3 285.409 2.169 10 0 CEAEHN CCCN[C@H](CC)CS(=O)(=O)c1ccccc1 ZINC000061702705 520067447 /nfs/dbraw/zinc/06/74/47/520067447.db2.gz YJUKWFCYNSUSQA-GFCCVEGCSA-N 0 3 255.383 2.239 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1ccc(C)cc1C ZINC000052885536 520099484 /nfs/dbraw/zinc/09/94/84/520099484.db2.gz TVZINGUSXKHJNV-HNNXBMFYSA-N 0 3 275.396 2.321 10 0 CEAEHN CCN[C@@H](c1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000050568908 520110041 /nfs/dbraw/zinc/11/00/41/520110041.db2.gz FKPVTAOJUSWADP-SMDDNHRTSA-N 0 3 285.384 2.219 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCCCO1 ZINC000050962158 520112743 /nfs/dbraw/zinc/11/27/43/520112743.db2.gz PTBZYXPJGQUPDF-RDJZCZTQSA-N 0 3 288.391 2.425 10 0 CEAEHN CCN[C@@H](c1ccccc1)[C@@H](C(C)C)S(C)(=O)=O ZINC000054930404 520115388 /nfs/dbraw/zinc/11/53/88/520115388.db2.gz QHGXJOTVFNATKR-UONOGXRCSA-N 0 3 269.410 2.406 10 0 CEAEHN CCCCCC[C@@H](C)OCC[C@@H](NCC)C(N)=O ZINC000062542701 520120973 /nfs/dbraw/zinc/12/09/73/520120973.db2.gz IHUNNVRYKTWELU-CHWSQXEVSA-N 0 3 258.406 2.215 10 0 CEAEHN CCN[C@@H]1COc2cc(OCCn3ccnc3)ccc21 ZINC000062804657 520124938 /nfs/dbraw/zinc/12/49/38/520124938.db2.gz DYTYJHKJQGVIAJ-CQSZACIVSA-N 0 3 273.336 2.005 10 0 CEAEHN CC(C)n1nccc1NC(=O)[C@H](CN)c1ccccc1 ZINC000061610707 520125206 /nfs/dbraw/zinc/12/52/06/520125206.db2.gz OPDRULUXRYTQTP-CYBMUJFWSA-N 0 3 272.352 2.145 10 0 CEAEHN CCCCCN(C)Cc1cccnc1C(N)=S ZINC000061659712 520151605 /nfs/dbraw/zinc/15/16/05/520151605.db2.gz JMKZGWCRAFUYRM-UHFFFAOYSA-N 0 3 251.399 2.338 10 0 CEAEHN CCCNc1ccc(CN(C)[C@@H](C)COC)cn1 ZINC000050815215 520154393 /nfs/dbraw/zinc/15/43/93/520154393.db2.gz WHGNTFGNBRMMKZ-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN CCOC[C@H](O)COc1ccc(C)cc1[C@@H](C)NC ZINC000069275522 520164068 /nfs/dbraw/zinc/16/40/68/520164068.db2.gz FULICNAXKWIIHK-OLZOCXBDSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@](CN(C)C(C)(C)CC)(C(N)=O)c1ccccc1 ZINC000069446809 520242056 /nfs/dbraw/zinc/24/20/56/520242056.db2.gz YBRNIAZWRRAFIR-KRWDZBQOSA-N 0 3 291.439 2.097 10 0 CEAEHN CCN[C@](CSc1ccc(F)cc1)(C(N)=O)C1CC1 ZINC000069186766 520253582 /nfs/dbraw/zinc/25/35/82/520253582.db2.gz CYONSBNRYMBCNE-AWEZNQCLSA-N 0 3 282.384 2.161 10 0 CEAEHN CCCOCc1nc(C)cc(CNCC(C)C)n1 ZINC000054832467 520261014 /nfs/dbraw/zinc/26/10/14/520261014.db2.gz MOIXOKRRPCMQMS-UHFFFAOYSA-N 0 3 251.374 2.457 10 0 CEAEHN CCNc1ncccc1CN1CCN(C(C)(C)C)CC1 ZINC000052729904 520378973 /nfs/dbraw/zinc/37/89/73/520378973.db2.gz UDDDZGKGJHVBFI-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CCCOc1cccc([C@@H](NC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000052921187 520464873 /nfs/dbraw/zinc/46/48/73/520464873.db2.gz GXNFQLITROTKNJ-UKRRQHHQSA-N 0 3 297.420 2.171 10 0 CEAEHN CCN(CC)C(=O)c1cccc(NC(=O)C(C)(C)NC)c1 ZINC000061318597 520560579 /nfs/dbraw/zinc/56/05/79/520560579.db2.gz DIWLYUNLQGUAOE-UHFFFAOYSA-N 0 3 291.395 2.105 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cccc(COCC)c1 ZINC000157756354 520723771 /nfs/dbraw/zinc/72/37/71/520723771.db2.gz XMDNMGPNGGDMQP-CYBMUJFWSA-N 0 3 250.342 2.289 10 0 CEAEHN CCC[C@@](C)(CO)CN1CCN([C@H](C)CC)CC1 ZINC000055072955 520911372 /nfs/dbraw/zinc/91/13/72/520911372.db2.gz CYGQIWSNXQYPCQ-HUUCEWRRSA-N 0 3 256.434 2.201 10 0 CEAEHN CCC[C@@](C)(N)C(=O)Nc1ccccc1[C@H](C)O ZINC000049547232 520921390 /nfs/dbraw/zinc/92/13/90/520921390.db2.gz APGVVSRJPMHABI-IINYFYTJSA-N 0 3 250.342 2.196 10 0 CEAEHN CCN(CCO)c1nc2sccn2c1CNC(C)(C)C ZINC000062736442 521126448 /nfs/dbraw/zinc/12/64/48/521126448.db2.gz MIBYXPKRLIPUQP-UHFFFAOYSA-N 0 3 296.440 2.103 10 0 CEAEHN CCN(CCOC)[C@@H](CN)c1cc2ccccc2o1 ZINC000068811574 521138944 /nfs/dbraw/zinc/13/89/44/521138944.db2.gz MVTJLCVDRAMRTG-ZDUSSCGKSA-N 0 3 262.353 2.401 10 0 CEAEHN CCC[C@H](N[C@@H](C)C(=O)N1CCOCC1)c1cccs1 ZINC000049544508 521168044 /nfs/dbraw/zinc/16/80/44/521168044.db2.gz ALQLMZOHNLJHAZ-STQMWFEESA-N 0 3 296.436 2.426 10 0 CEAEHN CCC[C@H](N[C@H](C)C(=O)NC(=O)NCC)c1cccs1 ZINC000049544554 521172696 /nfs/dbraw/zinc/17/26/96/521172696.db2.gz IUMSGOMWVKGXSG-MNOVXSKESA-N 0 3 297.424 2.413 10 0 CEAEHN CCOC(=O)[C@H](C(C)C)C1(O)CCN(C(C)C)CC1 ZINC000052254673 521183461 /nfs/dbraw/zinc/18/34/61/521183461.db2.gz SOJAHDZWULJRIZ-ZDUSSCGKSA-N 0 3 271.401 2.057 10 0 CEAEHN CCN(C[C@H]1CCCO1)c1ncc(CNC2CC2)s1 ZINC000054906939 521271618 /nfs/dbraw/zinc/27/16/18/521271618.db2.gz BAQKSTWDSNUNII-GFCCVEGCSA-N 0 3 281.425 2.400 10 0 CEAEHN CCN(Cc1cc(CNC(C)(C)C)no1)[C@@H](C)COC ZINC000052504851 521290827 /nfs/dbraw/zinc/29/08/27/521290827.db2.gz WQFDDCYSBXHTBQ-LBPRGKRZSA-N 0 3 283.416 2.420 10 0 CEAEHN CCN(c1nc2sccn2c1CNCCOC)C(C)C ZINC000062735162 521505172 /nfs/dbraw/zinc/50/51/72/521505172.db2.gz MVNAFEXNHQNHJS-UHFFFAOYSA-N 0 3 296.440 2.367 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052790714 521824722 /nfs/dbraw/zinc/82/47/22/521824722.db2.gz HVMDICVZCOKLJQ-QDCKZUPOSA-N 0 3 294.439 2.071 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=O)c1cccc2c1NCCC2 ZINC000061652110 521865953 /nfs/dbraw/zinc/86/59/53/521865953.db2.gz WMXMRLFTQHKXQY-CQSZACIVSA-N 0 3 287.407 2.211 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1nc(C(C)(C)C)c(CO)s1 ZINC000061655624 521876027 /nfs/dbraw/zinc/87/60/27/521876027.db2.gz OURNWFHDLHPBJG-LLVKDONJSA-N 0 3 297.468 2.463 10 0 CEAEHN COCCc1ccc(Oc2ccnc(C(=N)N)c2)cc1 ZINC000061814600 522015836 /nfs/dbraw/zinc/01/58/36/522015836.db2.gz JGJVFPDASSMBNL-UHFFFAOYSA-N 0 3 271.320 2.347 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@H](N[C@@H](C)CCC(C)C)C1=O ZINC000069234448 522105261 /nfs/dbraw/zinc/10/52/61/522105261.db2.gz HMVWUADYPXAPET-XQQFMLRXSA-N 0 3 268.401 2.327 10 0 CEAEHN CNCc1ccccc1N1C(=O)CC(C)(C)CC1=O ZINC000061824959 522136602 /nfs/dbraw/zinc/13/66/02/522136602.db2.gz MACMKRUZNPRQHH-UHFFFAOYSA-N 0 3 260.337 2.086 10 0 CEAEHN CNCc1sc(N(C)CCOC)nc1C(C)(C)C ZINC000055001754 522166393 /nfs/dbraw/zinc/16/63/93/522166393.db2.gz KBLMGNMAMQPANY-UHFFFAOYSA-N 0 3 271.430 2.243 10 0 CEAEHN COc1cc(C)ccc1OCc1cccnc1C(=N)N ZINC000061658543 522282816 /nfs/dbraw/zinc/28/28/16/522282816.db2.gz NBTPMPSBHPFEBO-UHFFFAOYSA-N 0 3 271.320 2.262 10 0 CEAEHN CN(C)c1ccncc1NC(=O)c1cccc(Cl)n1 ZINC000051073373 522311539 /nfs/dbraw/zinc/31/15/39/522311539.db2.gz VKXVRVIQLAWUTC-UHFFFAOYSA-N 0 3 276.727 2.448 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1nnc(C)n1C ZINC000062746547 522331857 /nfs/dbraw/zinc/33/18/57/522331857.db2.gz LVPKWBPADYDSHL-VIFPVBQESA-N 0 3 278.331 2.122 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1cc(OC)ccc1OC)C(F)(F)F ZINC000062784741 522345694 /nfs/dbraw/zinc/34/56/94/522345694.db2.gz IPRBNDSWCBOPEY-NWDGAFQWSA-N 0 3 293.285 2.191 10 0 CEAEHN CN[C@@H](Cn1ccc(C)cc1=O)c1cccc(OC)c1 ZINC000061909142 522366059 /nfs/dbraw/zinc/36/60/59/522366059.db2.gz FHZNBQBKRJBSEY-HNNXBMFYSA-N 0 3 272.348 2.126 10 0 CEAEHN CN[C@@H](c1nccn1C)C1(c2ccccc2)CCOCC1 ZINC000069473944 522375623 /nfs/dbraw/zinc/37/56/23/522375623.db2.gz VRINVTWUSLVWDB-HNNXBMFYSA-N 0 3 285.391 2.429 10 0 CEAEHN CCc1nc(N2CCN(C(C)(C)C)CC2)sc1CN ZINC000055001485 522385018 /nfs/dbraw/zinc/38/50/18/522385018.db2.gz UOGBLIJIYKBNMD-UHFFFAOYSA-N 0 3 282.457 2.085 10 0 CEAEHN CCc1nc(N2CCN([C@@H](C)CC)CC2)sc1CN ZINC000055076534 522386641 /nfs/dbraw/zinc/38/66/41/522386641.db2.gz UAOSBEPOCCAZIX-NSHDSACASA-N 0 3 282.457 2.085 10 0 CEAEHN CN(C1CCCCCC1)S(=O)(=O)C[C@H]1CCCCN1 ZINC000049631167 522414437 /nfs/dbraw/zinc/41/44/37/522414437.db2.gz XVPLGBAKLVSEPD-CYBMUJFWSA-N 0 3 288.457 2.113 10 0 CEAEHN CN[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000062657802 522438453 /nfs/dbraw/zinc/43/84/53/522438453.db2.gz YBGZMPSLRIIVFS-ZCFIWIBFSA-N 0 3 264.222 2.391 10 0 CEAEHN COc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H](C)N1 ZINC000049570468 522608720 /nfs/dbraw/zinc/60/87/20/522608720.db2.gz JDEKTDPQHOJAQP-CABZTGNLSA-N 0 3 266.316 2.303 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1cccc(F)c1)C(F)(F)F ZINC000062784514 522655545 /nfs/dbraw/zinc/65/55/45/522655545.db2.gz XVDNDHJYBYVQNT-NXEZZACHSA-N 0 3 251.223 2.313 10 0 CEAEHN COc1cc(OC)cc(OCc2ccnc(CN)c2)c1 ZINC000068751743 522871622 /nfs/dbraw/zinc/87/16/22/522871622.db2.gz XAEKVVJHFVHMKB-UHFFFAOYSA-N 0 3 274.320 2.137 10 0 CEAEHN COc1cc(OC)cc(O[C@H](CN)c2ccccn2)c1 ZINC000068793585 522875653 /nfs/dbraw/zinc/87/56/53/522875653.db2.gz QDGQXDDJCQIIOH-OAHLLOKOSA-N 0 3 274.320 2.178 10 0 CEAEHN CC[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069142861 522948764 /nfs/dbraw/zinc/94/87/64/522948764.db2.gz DGLJJPDNOZUNOM-UONOGXRCSA-N 0 3 285.384 2.444 10 0 CEAEHN COCc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)N2)c1 ZINC000049511987 523073899 /nfs/dbraw/zinc/07/38/99/523073899.db2.gz YRZMFUIYVXXCTR-RISCZKNCSA-N 0 3 262.353 2.302 10 0 CEAEHN COc1ccc(-c2nccn2C)cc1CNC1CC1 ZINC000069473257 523240218 /nfs/dbraw/zinc/24/02/18/523240218.db2.gz DMGDOEPXFZYDMS-UHFFFAOYSA-N 0 3 257.337 2.348 10 0 CEAEHN CN(Cc1cccc(F)c1)Cc1cccnc1C(=N)N ZINC000061657884 523310677 /nfs/dbraw/zinc/31/06/77/523310677.db2.gz VDZKUNCDQCVXTA-UHFFFAOYSA-N 0 3 272.327 2.137 10 0 CEAEHN CN(Cc1ccccc1)C(=O)[C@@H](CN)c1ccccc1 ZINC000061610770 523335071 /nfs/dbraw/zinc/33/50/71/523335071.db2.gz HWSQHKHCDXKLEO-INIZCTEOSA-N 0 3 268.360 2.388 10 0 CEAEHN CC[C@H]1COCCN1c1nc(C2CC2)c(CNC)s1 ZINC000069179965 523338875 /nfs/dbraw/zinc/33/88/75/523338875.db2.gz UEEOMQKDQWSKNB-NSHDSACASA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@@H]1CN(c2ncc(CNC3CC3)s2)CCO1 ZINC000054903604 523472720 /nfs/dbraw/zinc/47/27/20/523472720.db2.gz ZVRBFVIOIHKDAO-LLVKDONJSA-N 0 3 267.398 2.010 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(CN)c(C)o1 ZINC000052570959 523507420 /nfs/dbraw/zinc/50/74/20/523507420.db2.gz WEAPWMZFXXWEQD-GXFFZTMASA-N 0 3 252.358 2.046 10 0 CEAEHN COCCN(C)CCNc1nc(Cl)nc2ccccc21 ZINC000061400318 523615835 /nfs/dbraw/zinc/61/58/35/523615835.db2.gz CMMMLIWITWJHHS-UHFFFAOYSA-N 0 3 294.786 2.273 10 0 CEAEHN COCCN(C)Cc1ccoc1CNCC(C)C ZINC000052572962 523624568 /nfs/dbraw/zinc/62/45/68/523624568.db2.gz MAEJWNWRRXHQMK-UHFFFAOYSA-N 0 3 254.374 2.103 10 0 CEAEHN CN(c1ccc(Cl)cc1CN)C1CCOCC1 ZINC000052856922 523637579 /nfs/dbraw/zinc/63/75/79/523637579.db2.gz FVUHLPYUPHUXBE-UHFFFAOYSA-N 0 3 254.761 2.414 10 0 CEAEHN CN1C(=O)CC[C@H](N)[C@@H]1c1c(F)cccc1Cl ZINC000062211280 523686232 /nfs/dbraw/zinc/68/62/32/523686232.db2.gz IAZSHNIITZIQOI-JOYOIKCWSA-N 0 3 256.708 2.100 10 0 CEAEHN CN1CCC(NC(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000047886249 523773047 /nfs/dbraw/zinc/77/30/47/523773047.db2.gz LSLYQIXGWSVVNQ-HNNXBMFYSA-N 0 3 273.380 2.067 10 0 CEAEHN CCc1ccc(-c2cc(N3CCNCC3)n[nH]2)s1 ZINC000062669995 523854707 /nfs/dbraw/zinc/85/47/07/523854707.db2.gz CZNWWBSZBUZAKD-UHFFFAOYSA-N 0 3 262.382 2.110 10 0 CEAEHN COC(=O)[C@H](CCN1CCCC(C)(C)C1)NC(C)C ZINC000069516709 523898068 /nfs/dbraw/zinc/89/80/68/523898068.db2.gz CMJOAWREFHUOPV-ZDUSSCGKSA-N 0 3 270.417 2.038 10 0 CEAEHN CN1CCN(C[C@@H](N)c2ccc3ccccc3c2)C1=O ZINC000052885750 523905095 /nfs/dbraw/zinc/90/50/95/523905095.db2.gz ORLLHJRGMQVQEP-OAHLLOKOSA-N 0 3 269.348 2.207 10 0 CEAEHN CC[C@H](C)N(C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069096730 523922647 /nfs/dbraw/zinc/92/26/47/523922647.db2.gz OWINAFRFMWDJBR-SWLSCSKDSA-N 0 3 270.417 2.037 10 0 CEAEHN CC[C@H](C)N(CCOC)c1ncc([C@@H](C)N)s1 ZINC000054898055 523941437 /nfs/dbraw/zinc/94/14/37/523941437.db2.gz QXZVDWYFKVSOOV-VHSXEESVSA-N 0 3 257.403 2.414 10 0 CEAEHN COCCNC[C@](C)(O)c1ccc2ccccc2c1 ZINC000055033614 523945091 /nfs/dbraw/zinc/94/50/91/523945091.db2.gz LGJPEXGEJUVEKT-INIZCTEOSA-N 0 3 259.349 2.283 10 0 CEAEHN COCCNCc1cc(F)c(-n2cc(C)cn2)c(F)c1 ZINC000062738654 523949003 /nfs/dbraw/zinc/94/90/03/523949003.db2.gz QYVMADGJOBOSNF-UHFFFAOYSA-N 0 3 281.306 2.195 10 0 CEAEHN COCCNCc1ccc(-n2ccnc2C)cc1C ZINC000062738615 523951810 /nfs/dbraw/zinc/95/18/10/523951810.db2.gz ADNVLIKSZCAUNH-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN COCCNCc1ccccc1N(C)C[C@@H]1CCCO1 ZINC000062737070 523954539 /nfs/dbraw/zinc/95/45/39/523954539.db2.gz BVBHRPQMLHDYRW-HNNXBMFYSA-N 0 3 278.396 2.038 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@H]2C[C@H](C)CCC2=O)CC1 ZINC000055071489 523955435 /nfs/dbraw/zinc/95/54/35/523955435.db2.gz OMEKNJLJVOZAJF-QLFBSQMISA-N 0 3 266.429 2.408 10 0 CEAEHN CC[C@H](C)N1CCN(c2cnc(C(C)C)nc2CO)CC1 ZINC000055069053 523960331 /nfs/dbraw/zinc/96/03/31/523960331.db2.gz PJSNBOPLEVZVAZ-ZDUSSCGKSA-N 0 3 292.427 2.013 10 0 CEAEHN COc1ccccc1-c1nccc(CNC2CC2)n1 ZINC000054791988 524282359 /nfs/dbraw/zinc/28/23/59/524282359.db2.gz SYTPUTGRTBRKAC-UHFFFAOYSA-N 0 3 255.321 2.404 10 0 CEAEHN Cc1cc(C)c(OCC[C@H](NC(C)C)C(N)=O)c(C)c1 ZINC000062541405 524311409 /nfs/dbraw/zinc/31/14/09/524311409.db2.gz IDCHQWZOSJVVDQ-AWEZNQCLSA-N 0 3 278.396 2.233 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1cccc2c1CCCN2 ZINC000061412282 524316754 /nfs/dbraw/zinc/31/67/54/524316754.db2.gz FERYHCGRQXSDAH-CYBMUJFWSA-N 0 3 287.407 2.259 10 0 CEAEHN C[C@H](CN1CCCC1)Nc1cc2ccccc2c(=O)[nH]1 ZINC000049184079 524319192 /nfs/dbraw/zinc/31/91/92/524319192.db2.gz NUMNMOIHCHFYLQ-GFCCVEGCSA-N 0 3 271.364 2.424 10 0 CEAEHN Cc1cccc(CN(C)c2ccnc(C(=N)N)c2)c1 ZINC000061814164 524380297 /nfs/dbraw/zinc/38/02/97/524380297.db2.gz XTGJLOBJQJONRW-UHFFFAOYSA-N 0 3 254.337 2.310 10 0 CEAEHN COc1ccccc1N(C)Cc1ccnc(C(=N)N)c1 ZINC000068761754 524525246 /nfs/dbraw/zinc/52/52/46/524525246.db2.gz OCSDBNKXWLPHMU-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN COc1ccccc1N(C)Cc1ccnc(CN)c1 ZINC000068750365 524525732 /nfs/dbraw/zinc/52/57/32/524525732.db2.gz HHCNRGIDYBRJRB-UHFFFAOYSA-N 0 3 257.337 2.185 10 0 CEAEHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000183127787 524606729 /nfs/dbraw/zinc/60/67/29/524606729.db2.gz MDNWLBKXSWGLLA-XUJVJEKNSA-N 0 3 292.379 2.179 10 0 CEAEHN C[C@@H](CN1CCCCC1)N[C@@H](C)C(=O)N1CCCCCC1 ZINC000049501678 524607404 /nfs/dbraw/zinc/60/74/04/524607404.db2.gz MBPATAJYGMKRFJ-HOTGVXAUSA-N 0 3 295.471 2.242 10 0 CEAEHN C[C@H]1CN(Cc2nc(NN)ccc2Cl)CC(C)(C)O1 ZINC000061638326 524647924 /nfs/dbraw/zinc/64/79/24/524647924.db2.gz ODCSXUFPWOSGRJ-VIFPVBQESA-N 0 3 284.791 2.020 10 0 CEAEHN C[C@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])N1CCCC(C)(C)C1 ZINC000068647791 524652360 /nfs/dbraw/zinc/65/23/60/524652360.db2.gz HHMDSXLAGXMBSB-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@@H+]1CCCC(C)(C)C1 ZINC000068647791 524652367 /nfs/dbraw/zinc/65/23/67/524652367.db2.gz HHMDSXLAGXMBSB-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@H+]1CCCC(C)(C)C1 ZINC000068647791 524652378 /nfs/dbraw/zinc/65/23/78/524652378.db2.gz HHMDSXLAGXMBSB-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)Nc1ccc(F)cc1 ZINC000069133503 524695706 /nfs/dbraw/zinc/69/57/06/524695706.db2.gz ACRCYZZCXHCIQT-UWVGGRQHSA-N 0 3 251.305 2.040 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)Cc1ccccc1Cl ZINC000069133271 524696828 /nfs/dbraw/zinc/69/68/28/524696828.db2.gz PMHANHAVHRLUNO-QWRGUYRKSA-N 0 3 266.772 2.091 10 0 CEAEHN Cc1ccc(Cl)cc1-n1nnnc1CNCC(C)C ZINC000054744191 524718937 /nfs/dbraw/zinc/71/89/37/524718937.db2.gz OSXVLXILBRIRJC-UHFFFAOYSA-N 0 3 279.775 2.370 10 0 CEAEHN Cc1ccc(Cl)cc1NS(=O)(=O)CCNC(C)C ZINC000049631625 524756610 /nfs/dbraw/zinc/75/66/10/524756610.db2.gz QSFILIXTYMNIQG-UHFFFAOYSA-N 0 3 290.816 2.388 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@H+](CC1CC1)C1CC1 ZINC000068648295 524862624 /nfs/dbraw/zinc/86/26/24/524862624.db2.gz ATDIXFBMTICUTL-ZBEGNZNMSA-N 0 3 280.412 2.235 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@@H+](CC1CC1)C1CC1 ZINC000068648295 524862633 /nfs/dbraw/zinc/86/26/33/524862633.db2.gz ATDIXFBMTICUTL-ZBEGNZNMSA-N 0 3 280.412 2.235 10 0 CEAEHN C[C@@H](C[C@](C)(N)C(N)=O)Oc1cccc2ccccc21 ZINC000068656741 524863852 /nfs/dbraw/zinc/86/38/52/524863852.db2.gz GUCFMVHHABOMAN-ZBEGNZNMSA-N 0 3 272.348 2.200 10 0 CEAEHN Cc1ccc(N(C)Cc2cccnc2C(=N)N)cc1 ZINC000061658364 524887352 /nfs/dbraw/zinc/88/73/52/524887352.db2.gz XOWPWRSGCLEUEP-UHFFFAOYSA-N 0 3 254.337 2.310 10 0 CEAEHN Cc1ccc(N)c(C(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000053005659 524904067 /nfs/dbraw/zinc/90/40/67/524904067.db2.gz BMOTWRUIDBCOMK-ZDUSSCGKSA-N 0 3 275.396 2.181 10 0 CEAEHN COc1ccc(OC)c([C@H](N)C[C@@H]2CCCO2)c1 ZINC000055234639 524907447 /nfs/dbraw/zinc/90/74/47/524907447.db2.gz UBAQSLMYHBINAJ-WCQYABFASA-N 0 3 251.326 2.273 10 0 CEAEHN C[C@H]1Cc2ccccc2N1Cc1ccnc(C(=N)N)c1 ZINC000068760990 524995311 /nfs/dbraw/zinc/99/53/11/524995311.db2.gz JNQAHIDOGLZAPA-NSHDSACASA-N 0 3 266.348 2.317 10 0 CEAEHN C[C@@H]1CN(Cc2ccoc2CNC(C)(C)C)CCO1 ZINC000052382749 525022205 /nfs/dbraw/zinc/02/22/05/525022205.db2.gz WUBCIGVOSPCSOB-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN C[C@@H]1CN(Cc2occc2CNC(C)(C)C)CCO1 ZINC000052382345 525039956 /nfs/dbraw/zinc/03/99/56/525039956.db2.gz PMSPICYIABFCHJ-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc3cccnc32)C[C@@H](C)O1 ZINC000069502192 525055968 /nfs/dbraw/zinc/05/59/68/525055968.db2.gz PQMICXSTELCUNF-IOASZLSFSA-N 0 3 285.391 2.344 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Nc1cccc(F)c1 ZINC000069133522 525095072 /nfs/dbraw/zinc/09/50/72/525095072.db2.gz HNDXVSMVEPJBDY-NXEZZACHSA-N 0 3 251.305 2.040 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1c(F)cccc1Cl ZINC000069132563 525101520 /nfs/dbraw/zinc/10/15/20/525101520.db2.gz VRGQXMVWYASWGK-DTORHVGOSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@H](NC(=O)[C@@H](CN)c1ccccc1)c1ccco1 ZINC000061611350 525130397 /nfs/dbraw/zinc/13/03/97/525130397.db2.gz GYOXJQQWMUJFMH-AAEUAGOBSA-N 0 3 258.321 2.199 10 0 CEAEHN COc1ccc([C@@H](NC2CCCCC2)C(N)=O)cc1C ZINC000050597203 525199793 /nfs/dbraw/zinc/19/97/93/525199793.db2.gz QFLFCSJYIRKCOY-OAHLLOKOSA-N 0 3 276.380 2.452 10 0 CEAEHN C[C@@H](NCc1cc(F)cc2c1OCOC2)[C@@H]1CCCO1 ZINC000183190538 525514887 /nfs/dbraw/zinc/51/48/87/525514887.db2.gz LKEGOBXPWIRNQC-YGRLFVJLSA-N 0 3 281.327 2.349 10 0 CEAEHN C[C@@H](N[C@@H](C)CN1CCCC1)C(=O)Nc1ccccc1 ZINC000049180488 525595878 /nfs/dbraw/zinc/59/58/78/525595878.db2.gz BGFWAGGRYGTDNR-UONOGXRCSA-N 0 3 275.396 2.088 10 0 CEAEHN C[C@@H](N[C@@H](C)Cc1ccsc1)C(=O)N1CCCC1 ZINC000049182683 525601753 /nfs/dbraw/zinc/60/17/53/525601753.db2.gz XSVRNRXEQBGWBO-NWDGAFQWSA-N 0 3 266.410 2.280 10 0 CEAEHN C[C@@](N)(C(=O)N[C@H]1CCCc2sccc21)C1CC1 ZINC000061365851 525746113 /nfs/dbraw/zinc/74/61/13/525746113.db2.gz FIOMVLHPWQBEOP-FZMZJTMJSA-N 0 3 264.394 2.369 10 0 CEAEHN Cc1c(Cl)cccc1NS(=O)(=O)[C@@H]1CCCNC1 ZINC000049640667 525777838 /nfs/dbraw/zinc/77/78/38/525777838.db2.gz WVBRDAKSNXEKOX-SNVBAGLBSA-N 0 3 288.800 2.142 10 0 CEAEHN COc1cccc(C(=O)N[C@H](CC(C)C)CN(C)C)c1O ZINC000049560326 525830258 /nfs/dbraw/zinc/83/02/58/525830258.db2.gz GPSVWIJVMPGHJR-GFCCVEGCSA-N 0 3 294.395 2.107 10 0 CEAEHN C[C@@H](O)c1ccc(F)cc1OCCN1CCCC1 ZINC000062748768 525867562 /nfs/dbraw/zinc/86/75/62/525867562.db2.gz CBIBTHPJKVRFDF-LLVKDONJSA-N 0 3 253.317 2.354 10 0 CEAEHN COc1cccc(CN(C)c2ccnc(C(=N)N)c2)c1 ZINC000061814182 525920973 /nfs/dbraw/zinc/92/09/73/525920973.db2.gz FJIBFSONDNAZFR-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN COc1cccc(CNC(C)(C)C)c1OC[C@H](C)C(N)=O ZINC000062732212 526009300 /nfs/dbraw/zinc/00/93/00/526009300.db2.gz QCOXPNUZTXLEIK-NSHDSACASA-N 0 3 294.395 2.084 10 0 CEAEHN CSc1cccc(NC(=O)c2ccnc(NN)c2)c1 ZINC000051089147 526136478 /nfs/dbraw/zinc/13/64/78/526136478.db2.gz FJIJVLAGCDXHKJ-UHFFFAOYSA-N 0 3 274.349 2.341 10 0 CEAEHN CSc1cccc(NC(=O)c2cc[nH]c(=NN)c2)c1 ZINC000051089147 526136487 /nfs/dbraw/zinc/13/64/87/526136487.db2.gz FJIJVLAGCDXHKJ-UHFFFAOYSA-N 0 3 274.349 2.341 10 0 CEAEHN Fc1ccc(OCC2CCOCC2)c(N2CCNCC2)c1 ZINC000052175069 526355791 /nfs/dbraw/zinc/35/57/91/526355791.db2.gz KUPFMSOBPHWKIQ-UHFFFAOYSA-N 0 3 294.370 2.041 10 0 CEAEHN c1c2c(cc(OC3CCOCC3)c1CNC1CC1)OCO2 ZINC000069289156 526401057 /nfs/dbraw/zinc/40/10/57/526401057.db2.gz BJYPFAKNFAINER-UHFFFAOYSA-N 0 3 291.347 2.225 10 0 CEAEHN Cc1n[nH]c(C)c1N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000056937777 526496757 /nfs/dbraw/zinc/49/67/57/526496757.db2.gz IOACXYWNIYEZAI-OWCLPIDISA-N 0 3 286.423 2.361 10 0 CEAEHN O=C(NCc1cc(F)ccc1F)c1ccc2c(c1)CNC2 ZINC000156767146 526642796 /nfs/dbraw/zinc/64/27/96/526642796.db2.gz QSYBJBSWQUXIGH-UHFFFAOYSA-N 0 3 288.297 2.498 10 0 CEAEHN O=C(NOCCN1CCCC1)c1ccc(Cl)cc1 ZINC000062578330 526845129 /nfs/dbraw/zinc/84/51/29/526845129.db2.gz WCDHDEWIKXILRT-UHFFFAOYSA-N 0 3 268.744 2.097 10 0 CEAEHN Cc1nc(N(C)C2CCN(C)CC2)sc1[C@@H](C)O ZINC000054910213 526950848 /nfs/dbraw/zinc/95/08/48/526950848.db2.gz MIRJBGWAQGTSSO-SNVBAGLBSA-N 0 3 269.414 2.035 10 0 CEAEHN Cc1nc(N2CCC[C@H]2CN(C)C)sc1[C@@H](C)O ZINC000061655532 526966347 /nfs/dbraw/zinc/96/63/47/526966347.db2.gz QVOGOMBJMZLFKR-MNOVXSKESA-N 0 3 269.414 2.035 10 0 CEAEHN NC[C@@H](C(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000061612553 527202416 /nfs/dbraw/zinc/20/24/16/527202416.db2.gz WUMAWAWPNOMABM-CQSZACIVSA-N 0 3 256.305 2.073 10 0 CEAEHN NCc1cccc(NC(=O)NCCc2ccco2)c1 ZINC000049147544 527258935 /nfs/dbraw/zinc/25/89/35/527258935.db2.gz AWJMGRZBWXKCPP-UHFFFAOYSA-N 0 3 259.309 2.103 10 0 CEAEHN O=C(Nc1cccc2c[nH]nc21)c1ccc2c(c1)CNC2 ZINC000156695785 527387279 /nfs/dbraw/zinc/38/72/79/527387279.db2.gz VYVAZWISDCRJSG-UHFFFAOYSA-N 0 3 278.315 2.418 10 0 CEAEHN N[C@H]1c2ccccc2OC[C@H]1N1Cc2ccccc2C1 ZINC000050910909 527421331 /nfs/dbraw/zinc/42/13/31/527421331.db2.gz KOCPMKMAGYMXMF-WBVHZDCISA-N 0 3 266.344 2.463 10 0 CEAEHN Cc1nccn1CCOc1ccc(Cl)cc1CN ZINC000049329377 527433918 /nfs/dbraw/zinc/43/39/18/527433918.db2.gz IKZWPRLPXCHUPY-UHFFFAOYSA-N 0 3 265.744 2.383 10 0 CEAEHN Cn1ccnc1[C@@H](N)Cc1cccc(Br)c1 ZINC000069029127 527450549 /nfs/dbraw/zinc/45/05/49/527450549.db2.gz ATUJRWIVJGTPOS-NSHDSACASA-N 0 3 280.169 2.425 10 0 CEAEHN OCCOCCNC1c2ccccc2Cc2ccccc21 ZINC000061669805 527557306 /nfs/dbraw/zinc/55/73/06/527557306.db2.gz KLCARESRWQJGSN-UHFFFAOYSA-N 0 3 283.371 2.279 10 0 CEAEHN CC[C@@H]1CN(C(=O)N[C@H]2CCCN(CC)C2)CCS1 ZINC000174235078 529371432 /nfs/dbraw/zinc/37/14/32/529371432.db2.gz WNFKXSGIGMBLKH-QWHCGFSZSA-N 0 3 285.457 2.008 10 0 CEAEHN CCO[C@H]1CCCN(c2cncc(CNCC(C)C)n2)C1 ZINC000091421050 535621241 /nfs/dbraw/zinc/62/12/41/535621241.db2.gz GHGILGYSBSFYHD-HNNXBMFYSA-N 0 3 292.427 2.228 10 0 CEAEHN COc1ccc(Br)c(N2CCNC[C@@H]2C)c1 ZINC000083869887 536630257 /nfs/dbraw/zinc/63/02/57/536630257.db2.gz UEWNUXPVFJXDIM-VIFPVBQESA-N 0 3 285.185 2.256 10 0 CEAEHN Cc1ccnc(CN2C[C@H]3CCCCN3C[C@H]2C)c1 ZINC000328170348 538838933 /nfs/dbraw/zinc/83/89/33/538838933.db2.gz KLSZEMQTQJUMOR-GDBMZVCRSA-N 0 3 259.397 2.449 10 0 CEAEHN CC1(C)CN[C@@]2(CCSC2)OC12CCOCC2 ZINC000757147167 574510439 /nfs/dbraw/zinc/51/04/39/574510439.db2.gz RWVVAWAFSDBFGR-ZDUSSCGKSA-N 0 3 257.399 2.015 10 0 CEAEHN OCCN1CCC[C@H](NCc2cc(Cl)ccc2F)C1 ZINC000384734028 574842092 /nfs/dbraw/zinc/84/20/92/574842092.db2.gz PSALTNZRJVJSLG-ZDUSSCGKSA-N 0 3 286.778 2.025 10 0 CEAEHN COc1cc2c(c(Br)c1)O[C@@H](C)[C@H]2N ZINC000163000337 627340656 /nfs/dbraw/zinc/34/06/56/627340656.db2.gz ZGOPPMBOSDZATQ-SSDLBLMSSA-N 0 3 258.115 2.238 10 0 CEAEHN N[C@H](CC1CC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000311378458 627649782 /nfs/dbraw/zinc/64/97/82/627649782.db2.gz UMYRMHIAPKEQOA-DUTNFGBUSA-N 0 3 262.397 2.055 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000237017955 629152498 /nfs/dbraw/zinc/15/24/98/629152498.db2.gz FQQXNKLVDWPQIL-YMTOWFKASA-N 0 3 274.320 2.105 10 0 CEAEHN CC[C@H](C)Oc1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000261840848 629272221 /nfs/dbraw/zinc/27/22/21/629272221.db2.gz LRGIJIPVTNNFTA-LBPRGKRZSA-N 0 3 292.379 2.310 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccc(Cl)nn1 ZINC000167261525 639510795 /nfs/dbraw/zinc/51/07/95/639510795.db2.gz LCEYNTPMNWXDPL-DGCLKSJQSA-N 0 3 280.803 2.189 10 0 CEAEHN COC1CC(N[C@@H](C)c2nc3ccccc3n2C)C1 ZINC000230672881 639778494 /nfs/dbraw/zinc/77/84/94/639778494.db2.gz DJMSGQWMHRMSRS-UNXYVOJBSA-N 0 3 259.353 2.401 10 0 CEAEHN CN(C)C[C@@H](NC(=O)C1=CCCCO1)c1ccccc1 ZINC000173722932 639873366 /nfs/dbraw/zinc/87/33/66/639873366.db2.gz OZLHPNWMIMCNOQ-CQSZACIVSA-N 0 3 274.364 2.100 10 0 CEAEHN CCCN(CC)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000175360935 641325744 /nfs/dbraw/zinc/32/57/44/641325744.db2.gz PRZPPIRVDIPMCE-GXDHUFHOSA-N 0 3 296.436 2.309 10 0 CEAEHN O[C@@H](CN[C@@H]1COc2ccccc21)c1ccccc1 ZINC000070529588 641678875 /nfs/dbraw/zinc/67/88/75/641678875.db2.gz OGVIDILTOUJIJW-CABCVRRESA-N 0 3 255.317 2.443 10 0 CEAEHN O=C(CN1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1)NCc1cccs1 ZINC000072140373 641870729 /nfs/dbraw/zinc/87/07/29/641870729.db2.gz XOXJCUYYHABKCA-CUFDPUGPSA-N 0 3 290.432 2.342 10 0 CEAEHN CCOC(CN1CCC[C@H]1Cn1ccnc1C)OCC ZINC000124565066 187143922 /nfs/dbraw/zinc/14/39/22/187143922.db2.gz BNUNQGWVUNUSOY-AWEZNQCLSA-N 0 3 281.400 2.055 10 0 CEAEHN NC[C@H](O[C@@H]1CCOC1)c1ccc(Br)s1 ZINC000082458963 178033753 /nfs/dbraw/zinc/03/37/53/178033753.db2.gz SURHFVZMXMLIRR-SFYZADRCSA-N 0 3 292.198 2.316 10 0 CEAEHN CC1(C)C[C@H](NCCN2CCOCC2)c2ccccc2O1 ZINC000082504892 178069290 /nfs/dbraw/zinc/06/92/90/178069290.db2.gz RLBGYANNSCFXIK-HNNXBMFYSA-N 0 3 290.407 2.211 10 0 CEAEHN N[C@@H](c1ccc(Br)cn1)C1CCOCC1 ZINC000095825690 185028643 /nfs/dbraw/zinc/02/86/43/185028643.db2.gz JUOOSNMPFILDKJ-LLVKDONJSA-N 0 3 271.158 2.271 10 0 CEAEHN C[C@H]1C[C@@H]1CN(C)c1ncc(Br)cc1CN ZINC000082650286 178141570 /nfs/dbraw/zinc/14/15/70/178141570.db2.gz OZFYHFJXKLJYGA-WCBMZHEXSA-N 0 3 284.201 2.395 10 0 CEAEHN Cc1nn(-c2ccccc2)c(N(C)C(C)C)c1CN ZINC000034957086 361800151 /nfs/dbraw/zinc/80/01/51/361800151.db2.gz FPKLQYZOFBXTCX-UHFFFAOYSA-N 0 3 258.369 2.484 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(c2ccccc2C)CC1 ZINC000123279702 365637699 /nfs/dbraw/zinc/63/76/99/365637699.db2.gz KHFQAOMVTMNZNJ-MRXNPFEDSA-N 0 3 262.397 2.278 10 0 CEAEHN CC(C)N1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096089025 185093672 /nfs/dbraw/zinc/09/36/72/185093672.db2.gz WTEHWVSCWPVYMT-HRCADAONSA-N 0 3 276.380 2.238 10 0 CEAEHN C[C@H]1NCCO[C@@H]1c1cccc(Br)c1 ZINC000096884377 185120669 /nfs/dbraw/zinc/12/06/69/185120669.db2.gz BACMQQRWZKODEZ-KCJUWKMLSA-N 0 3 256.143 2.499 10 0 CEAEHN Cc1nccn1CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000125424705 187183937 /nfs/dbraw/zinc/18/39/37/187183937.db2.gz IGBIWSZPXMZZRB-CHWSQXEVSA-N 0 3 251.374 2.081 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000037032610 361889734 /nfs/dbraw/zinc/88/97/34/361889734.db2.gz VSICZIQIUDOUEL-SKDRFNHKSA-N 0 3 268.332 2.139 10 0 CEAEHN COc1cccc(CN[C@H]2CCC[C@@H](O)C2)c1OC ZINC000037165281 361902049 /nfs/dbraw/zinc/90/20/49/361902049.db2.gz RBLVBTPEBPJFOW-QWHCGFSZSA-N 0 3 265.353 2.097 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)C1 ZINC000246821689 282200225 /nfs/dbraw/zinc/20/02/25/282200225.db2.gz XHSIMQQVCMTRHS-SUMDDJOVSA-N 0 3 298.430 2.443 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)NCCN(C)C)cc1F ZINC000133859764 539276324 /nfs/dbraw/zinc/27/63/24/539276324.db2.gz QMXLWFYMOQVMHN-NSHDSACASA-N 0 3 267.348 2.056 10 0 CEAEHN Nc1cccnc1N1CCN(C2CCCCC2)CC1 ZINC000035367990 343422132 /nfs/dbraw/zinc/42/21/32/343422132.db2.gz DFPDYABQFPJWDY-UHFFFAOYSA-N 0 3 260.385 2.119 10 0 CEAEHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1cc(F)ccc1F ZINC000037007634 343424993 /nfs/dbraw/zinc/42/49/93/343424993.db2.gz XVTNCKBLUXLPMI-NOZJJQNGSA-N 0 3 268.307 2.284 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCCC1)c1cc(F)ccc1F ZINC000037616307 343429804 /nfs/dbraw/zinc/42/98/04/343429804.db2.gz JUWCCIJOFKMKDT-VIFPVBQESA-N 0 3 268.307 2.414 10 0 CEAEHN CCN1CC2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000039370457 343436153 /nfs/dbraw/zinc/43/61/53/343436153.db2.gz YMOXYNSRRREQTP-UHFFFAOYSA-N 0 3 274.364 2.493 10 0 CEAEHN Cc1ccc([C@H](N)CN2C(=O)c3ccccc3C2=O)s1 ZINC000059113080 343652182 /nfs/dbraw/zinc/65/21/82/343652182.db2.gz MZLPXZNLTJRJBZ-GFCCVEGCSA-N 0 3 286.356 2.353 10 0 CEAEHN COc1ccc(CNC[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000228598633 539349939 /nfs/dbraw/zinc/34/99/39/539349939.db2.gz ZUTOVYOPKVBLNN-IUODEOHRSA-N 0 3 267.344 2.475 10 0 CEAEHN CCc1ccc([C@@H]2CCCCN2C[C@@H](O)COC)o1 ZINC000127062590 187279681 /nfs/dbraw/zinc/27/96/81/187279681.db2.gz HMJLLNKQQJOXBU-OCCSQVGLSA-N 0 3 267.369 2.376 10 0 CEAEHN CC1(C)CC(NC(=O)c2ccc([O-])cc2)CC(C)(C)[NH2+]1 ZINC000084829034 344091128 /nfs/dbraw/zinc/09/11/28/344091128.db2.gz BZSHQERLRUYMLM-UHFFFAOYSA-N 0 3 276.380 2.431 10 0 CEAEHN NCc1cnc(-c2ccc(Br)cn2)s1 ZINC000130043360 344349201 /nfs/dbraw/zinc/34/92/01/344349201.db2.gz UIFQZXNXUYSSIJ-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN OCC1(N2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000139831463 344395723 /nfs/dbraw/zinc/39/57/23/344395723.db2.gz LQOQWTYIFAZNAJ-UHFFFAOYSA-N 0 3 288.435 2.499 10 0 CEAEHN Brc1c(NC2=NCCN2)cnc2ccccc21 ZINC000145771127 344409583 /nfs/dbraw/zinc/40/95/83/344409583.db2.gz MEXZNUBCENYKBM-UHFFFAOYSA-N 0 3 291.152 2.178 10 0 CEAEHN COC(=O)CCc1ccccc1NC1CCN(C)CC1 ZINC000167718728 344479135 /nfs/dbraw/zinc/47/91/35/344479135.db2.gz LDZQUAUQWYANGH-UHFFFAOYSA-N 0 3 276.380 2.298 10 0 CEAEHN C[C@H](CCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861702 344491852 /nfs/dbraw/zinc/49/18/52/344491852.db2.gz SKUWVWJLOVHCKL-GDBMZVCRSA-N 0 3 289.423 2.353 10 0 CEAEHN Cc1cnc(CN2C(=O)c3ccccc3C2=O)c(C)c1N ZINC000232230028 344577209 /nfs/dbraw/zinc/57/72/09/344577209.db2.gz YORQLWOEADCHKU-UHFFFAOYSA-N 0 3 281.315 2.077 10 0 CEAEHN O=C1NCCC[C@H]1NC1CC(c2ccc(Cl)cc2)C1 ZINC000050394990 362418170 /nfs/dbraw/zinc/41/81/70/362418170.db2.gz NXBRJWINAUQHJG-UXUKBGGZSA-N 0 3 278.783 2.454 10 0 CEAEHN CN(C)C[C@H](NC(=O)NCc1cccnc1)c1ccccc1 ZINC000053249425 362489153 /nfs/dbraw/zinc/48/91/53/362489153.db2.gz NZWIJGMFGNTXDK-INIZCTEOSA-N 0 3 298.390 2.184 10 0 CEAEHN C[C@H]1CNC2(CCN(C(=O)OC(C)(C)C)CC2)S1 ZINC000300857379 344702046 /nfs/dbraw/zinc/70/20/46/344702046.db2.gz OQFFTQIBDBSGHZ-JTQLQIEISA-N 0 3 272.414 2.439 10 0 CEAEHN Fc1c(Cl)cccc1CN1CC[C@H]2OCCN[C@H]2C1 ZINC000404255915 344878355 /nfs/dbraw/zinc/87/83/55/344878355.db2.gz LXLYYOFVGYDVBA-QWHCGFSZSA-N 0 3 284.762 2.042 10 0 CEAEHN Fc1c(Cl)cccc1CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000404255916 344878753 /nfs/dbraw/zinc/87/87/53/344878753.db2.gz LXLYYOFVGYDVBA-STQMWFEESA-N 0 3 284.762 2.042 10 0 CEAEHN CC[C@H](C)N[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000584605109 344963709 /nfs/dbraw/zinc/96/37/09/344963709.db2.gz BNZHZYBYIUOPJY-QWRGUYRKSA-N 0 3 298.408 2.017 10 0 CEAEHN c1ccc(Cc2ccccc2N2CCNCC2)nc1 ZINC000584651458 344973632 /nfs/dbraw/zinc/97/36/32/344973632.db2.gz VPDHUKKCBIVONL-UHFFFAOYSA-N 0 3 253.349 2.082 10 0 CEAEHN OCC1(C[C@@H]2CO2)CCN(Cc2ccccc2)CC1 ZINC000584882383 344996134 /nfs/dbraw/zinc/99/61/34/344996134.db2.gz FXTYRYNUUBIIFP-OAHLLOKOSA-N 0 3 261.365 2.050 10 0 CEAEHN NCc1ccc(F)c(CS(=O)(=O)c2ccccc2)c1 ZINC000084267671 178835033 /nfs/dbraw/zinc/83/50/33/178835033.db2.gz QSAOFTDCVZBUAZ-UHFFFAOYSA-N 0 3 279.336 2.258 10 0 CEAEHN CCc1cc([C@@H](N)c2ccc3c(c2)OCCCO3)n(C)n1 ZINC000097122602 185539926 /nfs/dbraw/zinc/53/99/26/185539926.db2.gz DJMOWMYONAEIPR-INIZCTEOSA-N 0 3 287.363 2.192 10 0 CEAEHN COC[C@H](C)N(C)Cc1ccc(CNC(C)C)o1 ZINC000052511505 522594756 /nfs/dbraw/zinc/59/47/56/522594756.db2.gz LSLADJJSEWSHSW-LBPRGKRZSA-N 0 3 254.374 2.244 10 0 CEAEHN COC[C@H](C)[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000057942678 362602712 /nfs/dbraw/zinc/60/27/12/362602712.db2.gz CBWJFYRMDKAIJD-QMMMGPOBSA-N 0 3 274.158 2.279 10 0 CEAEHN CN(CCO)CCN(C)Cc1c(Cl)cccc1Cl ZINC000623091519 349935447 /nfs/dbraw/zinc/93/54/47/349935447.db2.gz GFYBLVBTIZUXOK-UHFFFAOYSA-N 0 3 291.222 2.349 10 0 CEAEHN CN[C@@H](Cc1ccn(C(C)C)n1)c1cnn(C)c1C ZINC000097225372 185567775 /nfs/dbraw/zinc/56/77/75/185567775.db2.gz GUIQBNNQFZBNGK-AWEZNQCLSA-N 0 3 261.373 2.009 10 0 CEAEHN CCN[C@H](COCC)c1cccc(OC)c1OC ZINC000097303791 185581011 /nfs/dbraw/zinc/58/10/11/185581011.db2.gz PZYVKDHPDDMURH-GFCCVEGCSA-N 0 3 253.342 2.391 10 0 CEAEHN CN[C@@H](Cc1nc(C)c(C)s1)c1cc(C)nn1C ZINC000097342924 185587003 /nfs/dbraw/zinc/58/70/03/185587003.db2.gz GYWKLXJOLKKCMM-NSHDSACASA-N 0 3 264.398 2.305 10 0 CEAEHN Cc1cc([C@@H](N)Cc2cn3ccsc3n2)c(C)nn1 ZINC000097349868 185588177 /nfs/dbraw/zinc/58/81/77/185588177.db2.gz BPPQZOHAJOUGNI-LBPRGKRZSA-N 0 3 273.365 2.045 10 0 CEAEHN Cc1cncc([C@@H](N)Cn2cnc3ccccc32)c1 ZINC000097348212 185588198 /nfs/dbraw/zinc/58/81/98/185588198.db2.gz BTFCQJKTFOBJMQ-ZDUSSCGKSA-N 0 3 252.321 2.440 10 0 CEAEHN CCCN[C@H](Cc1ccn(C)n1)c1cc(C)nnc1CC ZINC000097353585 185588285 /nfs/dbraw/zinc/58/82/85/185588285.db2.gz NZABRWWQHFVQSH-MRXNPFEDSA-N 0 3 287.411 2.364 10 0 CEAEHN CCc1cc([C@H](Cc2cncs2)NC)n(CC)n1 ZINC000097386430 185595520 /nfs/dbraw/zinc/59/55/20/185595520.db2.gz RIYFPNHZSSXFRS-LBPRGKRZSA-N 0 3 264.398 2.425 10 0 CEAEHN Cc1cc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C)cs1 ZINC000296396181 301418625 /nfs/dbraw/zinc/41/86/25/301418625.db2.gz KEBBUECVTBEMRQ-JBLDHEPKSA-N 0 3 252.383 2.374 10 0 CEAEHN CCN(CC)[C@@](C)(CC)[C@@H](NN)c1ccncc1F ZINC000097583871 185630570 /nfs/dbraw/zinc/63/05/70/185630570.db2.gz CERPEGBCOCRPTR-KBPBESRZSA-N 0 3 268.380 2.236 10 0 CEAEHN CCN[C@@](CO)(CSCCCOC)c1ccccc1 ZINC000085289977 179006063 /nfs/dbraw/zinc/00/60/63/179006063.db2.gz BYYNNARRIOKTMC-HNNXBMFYSA-N 0 3 283.437 2.253 10 0 CEAEHN N[C@](CO)(CSCc1ccco1)c1ccccc1 ZINC000085297921 179009167 /nfs/dbraw/zinc/00/91/67/179009167.db2.gz ONFXKCQOVLIMOZ-CQSZACIVSA-N 0 3 263.362 2.359 10 0 CEAEHN NC[C@](O)(COc1ccc(F)cc1)c1ccccc1 ZINC000085307060 179012475 /nfs/dbraw/zinc/01/24/75/179012475.db2.gz MNXINOFKNUXAGG-HNNXBMFYSA-N 0 3 261.296 2.051 10 0 CEAEHN NC[C@@](O)(COc1cccc(F)c1)c1ccccc1 ZINC000085307111 179012632 /nfs/dbraw/zinc/01/26/32/179012632.db2.gz SEMYVGUWAFKGLX-OAHLLOKOSA-N 0 3 261.296 2.051 10 0 CEAEHN c1ccc(CO[C@H]2COCCN(C3CCOCC3)C2)cc1 ZINC000085436028 179063109 /nfs/dbraw/zinc/06/31/09/179063109.db2.gz RLGNTRGMFKSSSW-QGZVFWFLSA-N 0 3 291.391 2.083 10 0 CEAEHN Cc1nccn1CCN1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000085504548 179084057 /nfs/dbraw/zinc/08/40/57/179084057.db2.gz LWVUIKVDXCUNKJ-WMLDXEAASA-N 0 3 284.407 2.227 10 0 CEAEHN C[C@H]1CN[C@@](C)(c2ccccc2)CN1Cc1ncccn1 ZINC000085531673 179091591 /nfs/dbraw/zinc/09/15/91/179091591.db2.gz FYJZHOHBBUBGCQ-WMLDXEAASA-N 0 3 282.391 2.186 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1cc(C)ccc1F)C(N)=O ZINC000085560546 179094252 /nfs/dbraw/zinc/09/42/52/179094252.db2.gz PVULUMOJMYFWJD-NHYWBVRUSA-N 0 3 282.359 2.145 10 0 CEAEHN Cc1ccc(F)c(OC[C@](O)(CN)c2ccccc2)c1 ZINC000085565308 179095179 /nfs/dbraw/zinc/09/51/79/179095179.db2.gz DNCLZTCRQBKSHN-MRXNPFEDSA-N 0 3 275.323 2.359 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000236900941 370649256 /nfs/dbraw/zinc/64/92/56/370649256.db2.gz FVWBUIVBULMTRD-ZFWWWQNUSA-N 0 3 262.397 2.478 10 0 CEAEHN CN[C@H](CCO)C[S@@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927484 179202066 /nfs/dbraw/zinc/20/20/66/179202066.db2.gz WQEIBJLMGDZVDY-YJYMSZOUSA-N 0 3 283.437 2.062 10 0 CEAEHN Cc1ccc(NC(=O)CNC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085986639 179212285 /nfs/dbraw/zinc/21/22/85/179212285.db2.gz SDNPEKRRBDMOFV-ZFWWWQNUSA-N 0 3 276.380 2.074 10 0 CEAEHN C[C@@H]1CC[C@@H](NCc2cc(C(N)=O)ccc2F)[C@@H]1C ZINC000086077836 179226038 /nfs/dbraw/zinc/22/60/38/179226038.db2.gz YVVWKCNDEIPMMI-GPCCPHFNSA-N 0 3 264.344 2.449 10 0 CEAEHN c1ccc([C@@H]2CN(CCc3cccnc3)CCN2)cc1 ZINC000086141951 179237089 /nfs/dbraw/zinc/23/70/89/179237089.db2.gz CNLGCVDDWZHIPP-KRWDZBQOSA-N 0 3 267.376 2.271 10 0 CEAEHN COC[C@@H](C)N(C)[C@@H](CN)c1cc(Cl)cs1 ZINC000086333298 179273553 /nfs/dbraw/zinc/27/35/53/179273553.db2.gz OIWLUWLMVOCCLE-SCZZXKLOSA-N 0 3 262.806 2.368 10 0 CEAEHN COC1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086442649 179293528 /nfs/dbraw/zinc/29/35/28/179293528.db2.gz IWKCDMJSQRDENJ-SNVBAGLBSA-N 0 3 267.398 2.094 10 0 CEAEHN C[C@@H]1CSCCN1c1nc2c(s1)CCC[C@@H]2N ZINC000086444264 179294504 /nfs/dbraw/zinc/29/45/04/179294504.db2.gz FLTOBHAGYKJAFH-BDAKNGLRSA-N 0 3 269.439 2.421 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2cccc(OC)c2)[C@@H](CC)CN1 ZINC000086446669 179294710 /nfs/dbraw/zinc/29/47/10/179294710.db2.gz WPLCDWPYFYKAMC-CABCVRRESA-N 0 3 290.407 2.227 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(OC)c2O)[C@H](CC)CN1 ZINC000086445967 179294877 /nfs/dbraw/zinc/29/48/77/179294877.db2.gz QXHSZNOKVKKVBZ-VXGBXAGGSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)[C@H](CC)CN1 ZINC000086447159 179295607 /nfs/dbraw/zinc/29/56/07/179295607.db2.gz XTWSMMZTMLSDIP-UMVBOHGHSA-N 0 3 288.391 2.152 10 0 CEAEHN C[C@]1(c2nc([C@@H]3Cc4ccccc43)no2)CCCN1 ZINC000086486592 179301501 /nfs/dbraw/zinc/30/15/01/179301501.db2.gz LYWHRNMTZFRKSK-IUODEOHRSA-N 0 3 255.321 2.356 10 0 CEAEHN C[C@@H](CO)CN[C@H](c1ccccc1)c1ccncc1 ZINC000086627953 179313414 /nfs/dbraw/zinc/31/34/14/179313414.db2.gz BYCVAYZNLFNSBZ-CZUORRHYSA-N 0 3 256.349 2.389 10 0 CEAEHN NCc1cnn(Cc2cc(F)cc(Br)c2)c1 ZINC000086696840 179320571 /nfs/dbraw/zinc/32/05/71/179320571.db2.gz HJGVRYJFXSOAJM-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000086672034 179317572 /nfs/dbraw/zinc/31/75/72/179317572.db2.gz BXOGUJYMFKBKHH-STQMWFEESA-N 0 3 287.812 2.395 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(CN(C)C)c2)O1 ZINC000130421951 365953902 /nfs/dbraw/zinc/95/39/02/365953902.db2.gz QAPXZIURLQOCNQ-RISCZKNCSA-N 0 3 262.353 2.254 10 0 CEAEHN C[C@H]1CCCC[C@@H]1N(C)Cc1c[nH]c(=NN)s1 ZINC000086767653 179325992 /nfs/dbraw/zinc/32/59/92/179325992.db2.gz ZOPMOSPCLDOQAO-ONGXEEELSA-N 0 3 254.403 2.439 10 0 CEAEHN CC[C@](C)(N)C(=O)N(C)Cc1ccc(Br)o1 ZINC000086803720 179337552 /nfs/dbraw/zinc/33/75/52/179337552.db2.gz ORKWBGGILPHLMV-NSHDSACASA-N 0 3 289.173 2.128 10 0 CEAEHN CC[C@](C)(N)C(=O)NCc1cccc(Br)c1 ZINC000086804933 179338126 /nfs/dbraw/zinc/33/81/26/179338126.db2.gz BZNNGGWPZCMBDH-LBPRGKRZSA-N 0 3 285.185 2.193 10 0 CEAEHN COC(=O)[C@]1(NC2CCCCCC2)CCCN(C)CC1 ZINC000086833417 179349512 /nfs/dbraw/zinc/34/95/12/179349512.db2.gz GJWVOXJZQLBGJB-INIZCTEOSA-N 0 3 282.428 2.326 10 0 CEAEHN CCCN[C@@]1(c2nccs2)CCCN(C)CC1 ZINC000086833687 179349965 /nfs/dbraw/zinc/34/99/65/179349965.db2.gz YTBYGBRMZDCTDS-ZDUSSCGKSA-N 0 3 253.415 2.454 10 0 CEAEHN CCCN1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000086843296 179353437 /nfs/dbraw/zinc/35/34/37/179353437.db2.gz QMWOTKUFSHNGMO-KGLIPLIRSA-N 0 3 270.417 2.340 10 0 CEAEHN COC(=O)C[C@@](C)(N)c1ccc(Br)cc1 ZINC000086851574 179359913 /nfs/dbraw/zinc/35/99/13/179359913.db2.gz ATCAGCZBJYMTBX-LLVKDONJSA-N 0 3 272.142 2.186 10 0 CEAEHN CCN1CCC[C@@](N)(c2nc(C)c(C)s2)CC1 ZINC000086851310 179360023 /nfs/dbraw/zinc/36/00/23/179360023.db2.gz MLBSZQZFPIDXRW-ZDUSSCGKSA-N 0 3 253.415 2.420 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CC(=O)[O-])[C@@H](C)CC)CC1 ZINC000086868834 179361181 /nfs/dbraw/zinc/36/11/81/179361181.db2.gz KFGRIJGYADAERY-UONOGXRCSA-N 0 3 270.417 2.436 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CC(=O)[O-])[C@@H](C)CC)CC1 ZINC000086868834 179361184 /nfs/dbraw/zinc/36/11/84/179361184.db2.gz KFGRIJGYADAERY-UONOGXRCSA-N 0 3 270.417 2.436 10 0 CEAEHN CC(C)N1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868594 179362016 /nfs/dbraw/zinc/36/20/16/179362016.db2.gz TWBVLBCRPXHIKT-KBPBESRZSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)N1CCC[C@H]([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868594 179362018 /nfs/dbraw/zinc/36/20/18/179362018.db2.gz TWBVLBCRPXHIKT-KBPBESRZSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@H+](CC(=O)[O-])C(C)C)CC1 ZINC000086868760 179362231 /nfs/dbraw/zinc/36/22/31/179362231.db2.gz YPMJTACTIYPKCL-CYBMUJFWSA-N 0 3 256.390 2.044 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@@H+](CC(=O)[O-])C(C)C)CC1 ZINC000086868760 179362234 /nfs/dbraw/zinc/36/22/34/179362234.db2.gz YPMJTACTIYPKCL-CYBMUJFWSA-N 0 3 256.390 2.044 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869141 179362965 /nfs/dbraw/zinc/36/29/65/179362965.db2.gz IMWNFTNTWBNWNO-GDBMZVCRSA-N 0 3 282.428 2.436 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869141 179362966 /nfs/dbraw/zinc/36/29/66/179362966.db2.gz IMWNFTNTWBNWNO-GDBMZVCRSA-N 0 3 282.428 2.436 10 0 CEAEHN CCCc1nc([C@]2(N)CCCN(CCC)CC2)no1 ZINC000086851740 179359086 /nfs/dbraw/zinc/35/90/86/179359086.db2.gz KTYBBTBOEQURLH-AWEZNQCLSA-N 0 3 266.389 2.072 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(C)C)CCC[C@@H](CC)CC1 ZINC000086915934 179367265 /nfs/dbraw/zinc/36/72/65/179367265.db2.gz VIAWLYLBTMGEQY-GDBMZVCRSA-N 0 3 284.444 2.430 10 0 CEAEHN Cc1nc([C@H]2CSCCS2)nc(C)c1CN ZINC000086985426 179374393 /nfs/dbraw/zinc/37/43/93/179374393.db2.gz ODLIYDDYDPYFAQ-SNVBAGLBSA-N 0 3 255.412 2.073 10 0 CEAEHN COc1ccc([C@H]2[C@H](N)CC(=O)N2CC(C)C)cc1F ZINC000086995284 179375857 /nfs/dbraw/zinc/37/58/57/179375857.db2.gz ARWQQVVLXGJVPO-DOMZBBRYSA-N 0 3 280.343 2.091 10 0 CEAEHN COc1ccc([C@H]2[C@@H](N)CCCC(=O)N2C2CC2)cc1F ZINC000086995335 179375992 /nfs/dbraw/zinc/37/59/92/179375992.db2.gz CSGKMUWLCQFFOW-BBRMVZONSA-N 0 3 292.354 2.378 10 0 CEAEHN CCc1c(C)nc(-c2ccc(OC)c(F)c2)nc1NN ZINC000086994215 179376287 /nfs/dbraw/zinc/37/62/87/179376287.db2.gz GIANVLKNNRUIRD-UHFFFAOYSA-N 0 3 276.315 2.448 10 0 CEAEHN COc1ccc([C@@H]2CNCC(C)(C)O2)c(OC)c1OC ZINC000087090371 179394413 /nfs/dbraw/zinc/39/44/13/179394413.db2.gz QUQKOSXJRGYTMH-LBPRGKRZSA-N 0 3 281.352 2.152 10 0 CEAEHN C[C@H](NCC1(O)CCC(C)CC1)C(=O)NC1CCCCC1 ZINC000087063353 179390292 /nfs/dbraw/zinc/39/02/92/179390292.db2.gz RKDOSBBOASFEFR-UUCFBXCCSA-N 0 3 296.455 2.355 10 0 CEAEHN C[C@@H](NCC1(O)CCCCCC1)C(=O)N1CCCCCC1 ZINC000087089385 179393707 /nfs/dbraw/zinc/39/37/07/179393707.db2.gz ULIUGJCDCPCEDU-OAHLLOKOSA-N 0 3 296.455 2.452 10 0 CEAEHN Cc1nn(C)c(OCc2cccc(Cl)c2)c1C(=N)N ZINC000087094169 179393956 /nfs/dbraw/zinc/39/39/56/179393956.db2.gz TXBXTUKWDLUBTJ-UHFFFAOYSA-N 0 3 278.743 2.245 10 0 CEAEHN CCCN[C@H](CC(=O)OC)c1ccccc1OC ZINC000087552137 179445203 /nfs/dbraw/zinc/44/52/03/179445203.db2.gz JXEYWQSSZTUCNH-GFCCVEGCSA-N 0 3 251.326 2.299 10 0 CEAEHN CC(C)(C)OC(=O)Nc1ccc([C@H]2CNCCN2)cc1 ZINC000616631047 348541495 /nfs/dbraw/zinc/54/14/95/348541495.db2.gz QCXTUINYTSQMSI-CYBMUJFWSA-N 0 3 277.368 2.268 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1COCCN(C(C)(C)C)C1 ZINC000616657978 348550666 /nfs/dbraw/zinc/55/06/66/348550666.db2.gz ADFKBSUCNYAREW-GFCCVEGCSA-N 0 3 286.416 2.258 10 0 CEAEHN CCOC(=O)c1ccc([C@@H]2COCCN(CC)C2)cc1 ZINC000616597236 348528999 /nfs/dbraw/zinc/52/89/99/348528999.db2.gz IFRDSXLXUHJVGD-HNNXBMFYSA-N 0 3 277.364 2.299 10 0 CEAEHN CCOC(=O)c1ccc([C@@H]2CCCCN2CCO)cc1 ZINC000616616167 348534774 /nfs/dbraw/zinc/53/47/74/348534774.db2.gz KQKHVDNYPGTHTE-HNNXBMFYSA-N 0 3 277.364 2.383 10 0 CEAEHN OCCc1cccc([C@H]2NCCc3ccccc32)c1 ZINC000616680233 348559108 /nfs/dbraw/zinc/55/91/08/348559108.db2.gz KLBDFJCHBDPBKK-QGZVFWFLSA-N 0 3 253.345 2.457 10 0 CEAEHN Cc1noc(NC(=O)[C@@H]2CNCc3ccccc32)c1C ZINC000088245537 179570006 /nfs/dbraw/zinc/57/00/06/179570006.db2.gz GEOJTYUDUXZOBM-CYBMUJFWSA-N 0 3 271.320 2.117 10 0 CEAEHN CC(C)NCc1ccnn1Cc1ccncc1Cl ZINC000088790896 179672749 /nfs/dbraw/zinc/67/27/49/179672749.db2.gz PHGOYDOALZWJAF-UHFFFAOYSA-N 0 3 264.760 2.478 10 0 CEAEHN O=c1[nH]c(CN[C@H]2CC=CCC2)nc2ccccc21 ZINC000088748174 179664220 /nfs/dbraw/zinc/66/42/20/179664220.db2.gz GRCXGBBSLKMPDS-NSHDSACASA-N 0 3 255.321 2.121 10 0 CEAEHN CCNCc1cc(S(=O)(=O)N[C@H]2C[C@H]2C)c(C)cc1C ZINC000089024053 179692492 /nfs/dbraw/zinc/69/24/92/179692492.db2.gz KYKBSAOOSACJHT-RISCZKNCSA-N 0 3 296.436 2.100 10 0 CEAEHN COc1ncnc(OC)c1CNCC1(C)CCCC1 ZINC000104436412 186001396 /nfs/dbraw/zinc/00/13/96/186001396.db2.gz QALABRGNUMCWIH-UHFFFAOYSA-N 0 3 265.357 2.164 10 0 CEAEHN C[C@@]1(c2nc3c(cccc3F)n2C2CC2)COC[C@@H]1N ZINC000090571797 180007845 /nfs/dbraw/zinc/00/78/45/180007845.db2.gz HMWGGKWIJUQIBE-SWLSCSKDSA-N 0 3 275.327 2.126 10 0 CEAEHN C[C@]1(C(=O)Nc2cccc(Cl)c2Cl)COC[C@H]1N ZINC000090581942 180008274 /nfs/dbraw/zinc/00/82/74/180008274.db2.gz URFZFVHDGRWCTD-SKDRFNHKSA-N 0 3 289.162 2.296 10 0 CEAEHN C[C@@]1(C(=O)Nc2cccc(Cl)c2Cl)COC[C@@H]1N ZINC000090581939 180008869 /nfs/dbraw/zinc/00/88/69/180008869.db2.gz URFZFVHDGRWCTD-JOYOIKCWSA-N 0 3 289.162 2.296 10 0 CEAEHN CC(C)CC(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000090700527 180027793 /nfs/dbraw/zinc/02/77/93/180027793.db2.gz UGFVPKRWUJJWLA-CQSZACIVSA-N 0 3 284.469 2.462 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)c1ccc(F)cc1 ZINC000090699849 180028000 /nfs/dbraw/zinc/02/80/00/180028000.db2.gz QMRSUDLAFDFNDX-AWEZNQCLSA-N 0 3 296.411 2.335 10 0 CEAEHN CCOc1ncnc(N[C@H]2CCCN(CC)C2)c1C ZINC000090790926 180041873 /nfs/dbraw/zinc/04/18/73/180041873.db2.gz OKJCCUJVAIQOCQ-LBPRGKRZSA-N 0 3 264.373 2.080 10 0 CEAEHN c1cc(CNC2CC2)n(C[C@H]2Cc3ccccc3O2)n1 ZINC000090877784 180052398 /nfs/dbraw/zinc/05/23/98/180052398.db2.gz HDXZDUVVLQBFFR-OAHLLOKOSA-N 0 3 269.348 2.139 10 0 CEAEHN Fc1ccc2c(c1)C[C@H](CNCc1ccncc1)O2 ZINC000090892057 180054017 /nfs/dbraw/zinc/05/40/17/180054017.db2.gz HCTXFVCNXRHYQT-CQSZACIVSA-N 0 3 258.296 2.314 10 0 CEAEHN Cc1nccc(CNC[C@H]2Cc3cc(F)ccc3O2)n1 ZINC000090892258 180054300 /nfs/dbraw/zinc/05/43/00/180054300.db2.gz SJEKTPXOUASXNS-CQSZACIVSA-N 0 3 273.311 2.017 10 0 CEAEHN COC(=O)CCN(C)C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090900858 180059066 /nfs/dbraw/zinc/05/90/66/180059066.db2.gz IPCGDDGEOWSCMB-GFCCVEGCSA-N 0 3 283.755 2.138 10 0 CEAEHN Cc1cc(C)cc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905755 180061151 /nfs/dbraw/zinc/06/11/51/180061151.db2.gz MCPZNFZWWWEWLP-XHSDSOJGSA-N 0 3 260.381 2.166 10 0 CEAEHN Cc1oc(CN2C[C@H]3CC[C@@H](C2)O3)cc1CNC(C)C ZINC000090907856 180061961 /nfs/dbraw/zinc/06/19/61/180061961.db2.gz ZCDTUSVVMFFQKN-GASCZTMLSA-N 0 3 278.396 2.449 10 0 CEAEHN C[C@H](N)c1nc(CN2CCN(C3CCCC3)CC2)cs1 ZINC000090958523 180074996 /nfs/dbraw/zinc/07/49/96/180074996.db2.gz PKWUVVJSDBVCES-LBPRGKRZSA-N 0 3 294.468 2.223 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H](C)CN1CCCC1 ZINC000090960438 180075307 /nfs/dbraw/zinc/07/53/07/180075307.db2.gz YUGPXYQZNDZCSV-NSHDSACASA-N 0 3 281.425 2.280 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H]1CCC[C@H](O)C1 ZINC000090960128 180075342 /nfs/dbraw/zinc/07/53/42/180075342.db2.gz JWCIYKIVCMYMMX-MNOVXSKESA-N 0 3 268.382 2.100 10 0 CEAEHN Nc1ccccc1CN[C@@H]1CCC[C@H]1n1ccnc1 ZINC000090961941 180076388 /nfs/dbraw/zinc/07/63/88/180076388.db2.gz DCGGDHLBLQQWJY-HUUCEWRRSA-N 0 3 256.353 2.349 10 0 CEAEHN CN(C(=O)[C@@H]1Cc2ccccc21)c1cccc(CN)c1 ZINC000090982657 180079333 /nfs/dbraw/zinc/07/93/33/180079333.db2.gz DOFPQAGTEBOTEG-MRXNPFEDSA-N 0 3 266.344 2.448 10 0 CEAEHN CCOC(=O)[C@@H](CC)n1ccnc1CNCC(C)C ZINC000091002829 180083931 /nfs/dbraw/zinc/08/39/31/180083931.db2.gz OTMFOGLNTANADG-GFCCVEGCSA-N 0 3 267.373 2.143 10 0 CEAEHN CCCCOCCn1cccc1CNCCOC ZINC000091002105 180084024 /nfs/dbraw/zinc/08/40/24/180084024.db2.gz JUTSDUWUOBMBMT-UHFFFAOYSA-N 0 3 254.374 2.041 10 0 CEAEHN C[C@@H]1CC[C@H](c2noc(C[C@@H]3CSCCN3)n2)C1 ZINC000091129245 180100854 /nfs/dbraw/zinc/10/08/54/180100854.db2.gz UZPFGXULERNTSN-OUAUKWLOSA-N 0 3 267.398 2.221 10 0 CEAEHN CCN(CC[C@@H]1CNCCO1)c1ccccc1F ZINC000091314101 180133725 /nfs/dbraw/zinc/13/37/25/180133725.db2.gz ISBMKNSNPQIKNX-GFCCVEGCSA-N 0 3 252.333 2.031 10 0 CEAEHN CCCCn1ncc(CNCCOC)c1C1CC1 ZINC000091337722 180136479 /nfs/dbraw/zinc/13/64/79/180136479.db2.gz MBCWQPFIVURLBU-UHFFFAOYSA-N 0 3 251.374 2.297 10 0 CEAEHN CCCn1ncc(CNCCOC)c1C(F)(F)F ZINC000091337367 180136551 /nfs/dbraw/zinc/13/65/51/180136551.db2.gz IMCIFLHAHVFNKK-UHFFFAOYSA-N 0 3 265.279 2.048 10 0 CEAEHN COc1ccccc1[C@H](N)CSC[C@@H](C)CO ZINC000091261600 180115891 /nfs/dbraw/zinc/11/58/91/180115891.db2.gz GEKRVWGFVHOIFC-CMPLNLGQSA-N 0 3 255.383 2.057 10 0 CEAEHN CCOc1ccccc1[C@@H](N)CSC[C@H](C)CO ZINC000091261587 180115953 /nfs/dbraw/zinc/11/59/53/180115953.db2.gz OFWBCAGVBPWNLJ-YPMHNXCESA-N 0 3 269.410 2.447 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cncn2C2CC2)C[C@H](C)S1 ZINC000091276593 180120450 /nfs/dbraw/zinc/12/04/50/180120450.db2.gz WKNQPVNUDPCHAE-LOWVWBTDSA-N 0 3 280.441 2.044 10 0 CEAEHN Cn1cncc1COc1ccc(Cl)cc1CN ZINC000091278239 180120894 /nfs/dbraw/zinc/12/08/94/180120894.db2.gz GYFXYPVRVRDJDQ-UHFFFAOYSA-N 0 3 251.717 2.111 10 0 CEAEHN Fc1ccc2c(c1)nc(C[C@H]1CNCCO1)n2C1CC1 ZINC000091293220 180124009 /nfs/dbraw/zinc/12/40/09/180124009.db2.gz TZWKOHTZBNHTIU-LBPRGKRZSA-N 0 3 275.327 2.041 10 0 CEAEHN CCCCOCCOc1cncc(CNCCC)n1 ZINC000091433666 180154260 /nfs/dbraw/zinc/15/42/60/180154260.db2.gz QJVRDNHFYSVQHP-UHFFFAOYSA-N 0 3 267.373 2.172 10 0 CEAEHN CCNCc1cncc(Oc2ccc(OC)cc2)n1 ZINC000091434730 180154489 /nfs/dbraw/zinc/15/44/89/180154489.db2.gz XIMNCUQOUYJRMR-UHFFFAOYSA-N 0 3 259.309 2.387 10 0 CEAEHN CNCc1c(Cl)cccc1N(C)CC1CC(O)C1 ZINC000091464383 180163252 /nfs/dbraw/zinc/16/32/52/180163252.db2.gz KBSMIGTWIWHKOQ-UHFFFAOYSA-N 0 3 268.788 2.267 10 0 CEAEHN Cc1ccc(C(=O)CCN(C)CC2CC(O)C2)cc1 ZINC000091498610 180173052 /nfs/dbraw/zinc/17/30/52/180173052.db2.gz BPBHJCHNYNUQJW-UHFFFAOYSA-N 0 3 261.365 2.271 10 0 CEAEHN CCCNCc1cncc(-n2ccc(C(C)C)n2)n1 ZINC000091422515 180151392 /nfs/dbraw/zinc/15/13/92/180151392.db2.gz HYEQPWWOEADYCG-UHFFFAOYSA-N 0 3 259.357 2.285 10 0 CEAEHN CN[C@@H](c1cc(F)ccc1F)C(C)(C)N1CCOCC1 ZINC000091566436 180193931 /nfs/dbraw/zinc/19/39/31/180193931.db2.gz UBJCKMANYJEANT-AWEZNQCLSA-N 0 3 284.350 2.336 10 0 CEAEHN CCN1C(=O)C[C@H](N[C@H](c2cccs2)C(C)C)C1=O ZINC000105113207 186041614 /nfs/dbraw/zinc/04/16/14/186041614.db2.gz QJOKYFCLTBUFLJ-GWCFXTLKSA-N 0 3 280.393 2.182 10 0 CEAEHN CC(C)[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000105113243 186042705 /nfs/dbraw/zinc/04/27/05/186042705.db2.gz CWMMBUHFAGCYDS-BXUZGUMPSA-N 0 3 292.404 2.325 10 0 CEAEHN Cc1cccnc1CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000105148439 186043853 /nfs/dbraw/zinc/04/38/53/186043853.db2.gz KAWMXDUNZNWSGO-CQSZACIVSA-N 0 3 292.427 2.166 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cccc(C)c1)N1CCOCC1 ZINC000091611853 180206832 /nfs/dbraw/zinc/20/68/32/180206832.db2.gz HUGCNYJHZDVZMW-CVEARBPZSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@](C)([C@H](NC)c1ccccc1OC)N1CCOCC1 ZINC000091612278 180207220 /nfs/dbraw/zinc/20/72/20/180207220.db2.gz WKAWYGVVLNVOPA-IAGOWNOFSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCn1nccc1[C@@H](NC)[C@](C)(CC)N1CCOCC1 ZINC000091612396 180207275 /nfs/dbraw/zinc/20/72/75/180207275.db2.gz OQRPACDJBHBCGQ-CVEARBPZSA-N 0 3 294.443 2.055 10 0 CEAEHN Cc1cc(F)cc(N[C@]2(CO)CN3CCC2CC3)c1 ZINC000091517751 180177670 /nfs/dbraw/zinc/17/76/70/180177670.db2.gz RIPBVCJVGSSXQH-HNNXBMFYSA-N 0 3 264.344 2.003 10 0 CEAEHN CCN[C@H](c1nccn1C)C(C)(C)N(CC)CC ZINC000091531428 180180568 /nfs/dbraw/zinc/18/05/68/180180568.db2.gz SMZFCHFZNYZPRE-GFCCVEGCSA-N 0 3 252.406 2.191 10 0 CEAEHN O[C@H](C1CCCC1)C1(N2CCOCC2)CCCC1 ZINC000091642675 180213946 /nfs/dbraw/zinc/21/39/46/180213946.db2.gz RBZYKPMVCAUXLX-CQSZACIVSA-N 0 3 253.386 2.183 10 0 CEAEHN N[C@@H](c1ccc(F)cc1)C1(N2CCOCC2)CCCC1 ZINC000091643017 180214051 /nfs/dbraw/zinc/21/40/51/180214051.db2.gz QLOGAUVTWOEDPP-HNNXBMFYSA-N 0 3 278.371 2.471 10 0 CEAEHN CC(C)n1ncnc1CC(=O)C1(N(C)C)CCC(C)CC1 ZINC000091648275 180215349 /nfs/dbraw/zinc/21/53/49/180215349.db2.gz QVPQGWSDFWARBP-UHFFFAOYSA-N 0 3 292.427 2.481 10 0 CEAEHN CN[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000091717599 180232142 /nfs/dbraw/zinc/23/21/42/180232142.db2.gz GRLBTYBMSOYTPU-STQMWFEESA-N 0 3 288.313 2.297 10 0 CEAEHN CCN[C@@H](c1ccccc1OCC)[C@H]1CN(C)CCO1 ZINC000091718792 180233412 /nfs/dbraw/zinc/23/34/12/180233412.db2.gz ULLXLEIVKSPFTN-CVEARBPZSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCOc1ccc([C@@H](NCC)[C@H]2CN(C)CCO2)cc1 ZINC000091718769 180233525 /nfs/dbraw/zinc/23/35/25/180233525.db2.gz YRLMTSNKKHCLEF-IAGOWNOFSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H](c1ccc(OCC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718406 180233683 /nfs/dbraw/zinc/23/36/83/180233683.db2.gz PQPCNNXCLJMQIN-HOTGVXAUSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1C)[C@H]1CN(C)CCO1 ZINC000091719556 180234182 /nfs/dbraw/zinc/23/41/82/180234182.db2.gz WRYPKBQDIQLRBQ-SJORKVTESA-N 0 3 292.423 2.375 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1)[C@@H]1CN(C)CCO1 ZINC000091719338 180234242 /nfs/dbraw/zinc/23/42/42/180234242.db2.gz KETBDPYVOCECCB-GJZGRUSLSA-N 0 3 266.360 2.197 10 0 CEAEHN CCCN[C@@H](c1ccc(C)cc1)[C@@H]1CN(C)CCO1 ZINC000091719234 180234381 /nfs/dbraw/zinc/23/43/81/180234381.db2.gz IFUKMIUUNGCWHB-HOTGVXAUSA-N 0 3 262.397 2.366 10 0 CEAEHN CCCN[C@H](c1cc(F)cc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719281 180234465 /nfs/dbraw/zinc/23/44/65/180234465.db2.gz BXENFVHRBAJWAJ-HUUCEWRRSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCN[C@H](c1cccc(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719263 180234535 /nfs/dbraw/zinc/23/45/35/180234535.db2.gz FGKYVKMLMMOBAU-LSDHHAIUSA-N 0 3 266.360 2.197 10 0 CEAEHN CN[C@H](c1ccc(C)s1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721497 180238404 /nfs/dbraw/zinc/23/84/04/180238404.db2.gz HBWDTGQPNUQIRN-DYEKYZERSA-N 0 3 266.410 2.180 10 0 CEAEHN COc1cccc(NC(=O)Cn2cccc2[C@@H](C)N)c1 ZINC000091800089 180258726 /nfs/dbraw/zinc/25/87/26/180258726.db2.gz ARCLLSRJGGGPKH-LLVKDONJSA-N 0 3 273.336 2.155 10 0 CEAEHN Cc1ccccc1NC(=O)Cn1cccc1[C@@H](C)N ZINC000091799976 180258938 /nfs/dbraw/zinc/25/89/38/180258938.db2.gz OGALJFWHPUEJGI-GFCCVEGCSA-N 0 3 257.337 2.455 10 0 CEAEHN Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)sc1CNC(C)C ZINC000091723144 180241977 /nfs/dbraw/zinc/24/19/77/180241977.db2.gz CIOIMWAFKJCMCX-OLZOCXBDSA-N 0 3 295.452 2.485 10 0 CEAEHN CN(C[C@H]1Cc2ccccc2O1)C1CCC(=O)CC1 ZINC000091854046 180273649 /nfs/dbraw/zinc/27/36/49/180273649.db2.gz VHRISXKREGWMFS-OAHLLOKOSA-N 0 3 259.349 2.434 10 0 CEAEHN CC[C@H]1CN(C(=O)N2CCC(C)CC2)[C@@H](CC)CN1 ZINC000091991351 180299854 /nfs/dbraw/zinc/29/98/54/180299854.db2.gz YNISVJSJICHWHG-KBPBESRZSA-N 0 3 267.417 2.301 10 0 CEAEHN C[C@@H]1CCCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2N)C1 ZINC000091993161 180300522 /nfs/dbraw/zinc/30/05/22/180300522.db2.gz VKUXNYLWILLQTJ-BYCMXARLSA-N 0 3 273.380 2.053 10 0 CEAEHN CCNCc1nc(C)ccc1OCC(=O)N[C@@H](C)C(C)C ZINC000091994951 180300937 /nfs/dbraw/zinc/30/09/37/180300937.db2.gz YCNFRMOGNRLXAC-ZDUSSCGKSA-N 0 3 293.411 2.039 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@@H](C)C(=O)NCC(C)C ZINC000091994843 180301050 /nfs/dbraw/zinc/30/10/50/180301050.db2.gz YVKRHGBCAYPBDU-ZDUSSCGKSA-N 0 3 293.411 2.039 10 0 CEAEHN CCN[C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccccc1C ZINC000092094115 180323056 /nfs/dbraw/zinc/32/30/56/180323056.db2.gz MIDKKYXEIOZKCZ-GUTXKFCHSA-N 0 3 288.391 2.287 10 0 CEAEHN CCNCc1cnc(C)n1C[C@H]1COc2ccccc21 ZINC000092306747 180360290 /nfs/dbraw/zinc/36/02/90/180360290.db2.gz VYFSMEHYNYDPQJ-ZDUSSCGKSA-N 0 3 271.364 2.477 10 0 CEAEHN CN[C@@H](CN1C(=O)C[C@H](C)C1=O)c1c(C)cc(C)cc1C ZINC000105832663 186075714 /nfs/dbraw/zinc/07/57/14/186075714.db2.gz FJTOEBVNQUYULS-KBPBESRZSA-N 0 3 288.391 2.267 10 0 CEAEHN CCNc1cccc(CN(C)[C@H]2CCCN(C)C2)n1 ZINC000092370222 180369902 /nfs/dbraw/zinc/36/99/02/180369902.db2.gz GMFYSLRZDZWORL-AWEZNQCLSA-N 0 3 262.401 2.039 10 0 CEAEHN Cc1ccc(C)c([C@@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000106388089 186112811 /nfs/dbraw/zinc/11/28/11/186112811.db2.gz RHGUNGFEQKEULV-CABCVRRESA-N 0 3 262.397 2.285 10 0 CEAEHN CC(C)[C@@H](CO)Nc1nc2ccccc2cc1CN ZINC000092391537 180375714 /nfs/dbraw/zinc/37/57/14/180375714.db2.gz GYRDUUVCXQPCLF-CQSZACIVSA-N 0 3 259.353 2.122 10 0 CEAEHN CCn1nc(CN[C@@H](CO)C(C)C)c2ccccc21 ZINC000092394918 180376738 /nfs/dbraw/zinc/37/67/38/180376738.db2.gz ANZGBJUWXPDOAL-AWEZNQCLSA-N 0 3 261.369 2.163 10 0 CEAEHN CCCNc1ccnc(CN(CCOC)[C@H](C)COC)c1 ZINC000092418744 180381255 /nfs/dbraw/zinc/38/12/55/180381255.db2.gz IVEIBFLAJMCKAA-CQSZACIVSA-N 0 3 295.427 2.387 10 0 CEAEHN CCCNc1ccnc(CN(CC)CC(=O)NC(C)C)c1 ZINC000092418659 180381290 /nfs/dbraw/zinc/38/12/90/180381290.db2.gz CQPCVLRXNWVAKP-UHFFFAOYSA-N 0 3 292.427 2.250 10 0 CEAEHN CCCN1CCN(Cc2cc(NCC)ccn2)CC1 ZINC000092417921 180381469 /nfs/dbraw/zinc/38/14/69/180381469.db2.gz FSONSBGPTHSKEM-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CCCNc1ccnc(CSCCS(C)(=O)=O)c1 ZINC000092421026 180382784 /nfs/dbraw/zinc/38/27/84/180382784.db2.gz MVHVOQMKSWOMQK-UHFFFAOYSA-N 0 3 288.438 2.181 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@H](n1ccnc1C)CC2 ZINC000092386060 180373538 /nfs/dbraw/zinc/37/35/38/180373538.db2.gz HNCKXJPVBWPNSY-HUUCEWRRSA-N 0 3 257.337 2.387 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@H]1n1ccnc1 ZINC000092386053 180374073 /nfs/dbraw/zinc/37/40/73/180374073.db2.gz DOYRGZFOGRQMOV-HUUCEWRRSA-N 0 3 257.337 2.340 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000625606845 350535149 /nfs/dbraw/zinc/53/51/49/350535149.db2.gz RMMCCIWCEBHTRH-QWHCGFSZSA-N 0 3 274.364 2.009 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000625606845 350535153 /nfs/dbraw/zinc/53/51/53/350535153.db2.gz RMMCCIWCEBHTRH-QWHCGFSZSA-N 0 3 274.364 2.009 10 0 CEAEHN CCN(CC)CCn1c2ccncc2[nH]c1=S ZINC000092514205 180399639 /nfs/dbraw/zinc/39/96/39/180399639.db2.gz SNORWENSMZKOMB-UHFFFAOYSA-N 0 3 250.371 2.436 10 0 CEAEHN CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081777 186242528 /nfs/dbraw/zinc/24/25/28/186242528.db2.gz JQWDKRBOLVVEGB-CHWSQXEVSA-N 0 3 294.345 2.279 10 0 CEAEHN CNCc1cc(N(C)[C@@H](C)COC)c2ccccc2n1 ZINC000109588742 186264315 /nfs/dbraw/zinc/26/43/15/186264315.db2.gz DPTPTRLLZFOZHF-LBPRGKRZSA-N 0 3 273.380 2.425 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=S)Nc1ccccc1 ZINC000109671204 186268966 /nfs/dbraw/zinc/26/89/66/186268966.db2.gz RODGVBPYAGZLIP-ZDUSSCGKSA-N 0 3 263.410 2.409 10 0 CEAEHN Nc1cccc(F)c1CN1CCCC[C@H]1CCO ZINC000109427042 186251458 /nfs/dbraw/zinc/25/14/58/186251458.db2.gz OJJPWVRNZCIWBF-NSHDSACASA-N 0 3 252.333 2.145 10 0 CEAEHN CCCN[C@@H](CN(CCC(C)C)C1CC1)C(=O)OC ZINC000109999548 186282376 /nfs/dbraw/zinc/28/23/76/186282376.db2.gz MSGXJVAOROZILK-AWEZNQCLSA-N 0 3 270.417 2.038 10 0 CEAEHN COc1cc2c(cc1F)[nH]c(=S)n2CCN(C)C ZINC000110628139 186306245 /nfs/dbraw/zinc/30/62/45/186306245.db2.gz RXVOBOKBVNCKPZ-UHFFFAOYSA-N 0 3 269.345 2.034 10 0 CEAEHN CN1CCCN(c2cc(OC(F)F)c(F)cc2N)CC1 ZINC000110635838 186307610 /nfs/dbraw/zinc/30/76/10/186307610.db2.gz KXTRPNQOJQKMTH-UHFFFAOYSA-N 0 3 289.301 2.151 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@@H]1CCCC[C@H]1O ZINC000110630112 186307949 /nfs/dbraw/zinc/30/79/49/186307949.db2.gz OZTGHTJSKGNJFQ-ZYHUDNBSSA-N 0 3 279.315 2.242 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2Cc1ccccn1 ZINC000110629276 186308123 /nfs/dbraw/zinc/30/81/23/186308123.db2.gz GQILRWFTUOTJIL-UHFFFAOYSA-N 0 3 272.283 2.210 10 0 CEAEHN C[C@@H]1CCCN(C(=O)[C@@H](CN)Cc2ccccc2)CC1 ZINC000110808169 186325903 /nfs/dbraw/zinc/32/59/03/186325903.db2.gz GEVYNJZAFYCTPP-GDBMZVCRSA-N 0 3 274.408 2.453 10 0 CEAEHN CNCc1c(C)nn(C)c1N1CCC[C@@H](C)CC1 ZINC000110807177 186326221 /nfs/dbraw/zinc/32/62/21/186326221.db2.gz XJPVPZIGWWQDMS-LLVKDONJSA-N 0 3 250.390 2.074 10 0 CEAEHN COC(=O)[C@](C)(CN1CCC[C@@H](C)CC1)NC(C)C ZINC000110809915 186326489 /nfs/dbraw/zinc/32/64/89/186326489.db2.gz VLYXJZWBQOBDIP-HIFRSBDPSA-N 0 3 270.417 2.038 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1OCCC(=O)N(C)C ZINC000110959495 186336860 /nfs/dbraw/zinc/33/68/60/186336860.db2.gz IHDBETZZQFDENF-LBPRGKRZSA-N 0 3 264.369 2.133 10 0 CEAEHN CCNC(=O)COc1cc(C)ccc1[C@H](C)NCC ZINC000110961368 186338077 /nfs/dbraw/zinc/33/80/77/186338077.db2.gz QTMMGYWNOFYPHD-LBPRGKRZSA-N 0 3 264.369 2.180 10 0 CEAEHN C[C@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2O)CCN1C ZINC000110735516 186317289 /nfs/dbraw/zinc/31/72/89/186317289.db2.gz ZBYLKRXRECWDEA-XKQJLSEDSA-N 0 3 274.408 2.061 10 0 CEAEHN C[C@H]([C@@H](O)c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110736570 186318909 /nfs/dbraw/zinc/31/89/09/186318909.db2.gz FLTXLUCMNHSJPU-UKRRQHHQSA-N 0 3 262.397 2.135 10 0 CEAEHN CCCO[C@H]1CCCN(CC(OCC)OCC)C1 ZINC000110783465 186324652 /nfs/dbraw/zinc/32/46/52/186324652.db2.gz DGSBUTYXLCLEHQ-ZDUSSCGKSA-N 0 3 259.390 2.277 10 0 CEAEHN CN(C(=O)c1c(N)cccc1Cl)C1CCN(C)CC1 ZINC000111008055 186342429 /nfs/dbraw/zinc/34/24/29/186342429.db2.gz VJRFNRPRRXUFJO-UHFFFAOYSA-N 0 3 281.787 2.088 10 0 CEAEHN Nc1cccc(Cl)c1C(=O)NCCN1CCCCC1 ZINC000111011957 186342886 /nfs/dbraw/zinc/34/28/86/186342886.db2.gz HZLSVWCVSDFEIB-UHFFFAOYSA-N 0 3 281.787 2.138 10 0 CEAEHN CN(C[C@H]1CCCOC1)c1ccc(F)cc1CN ZINC000111153674 186360767 /nfs/dbraw/zinc/36/07/67/186360767.db2.gz JSVIFRMIHWGVDH-LLVKDONJSA-N 0 3 252.333 2.147 10 0 CEAEHN COc1ccc(N)cc1CN(C)C[C@@H]1CCCOC1 ZINC000111154520 186361195 /nfs/dbraw/zinc/36/11/95/186361195.db2.gz FBCIEIQLBGKWSX-LBPRGKRZSA-N 0 3 264.369 2.136 10 0 CEAEHN CN(C)CCN(C)CC(=O)c1ccc(Cl)cc1 ZINC000111139568 186357352 /nfs/dbraw/zinc/35/73/52/186357352.db2.gz RLTTYOQZVPHMGB-UHFFFAOYSA-N 0 3 254.761 2.016 10 0 CEAEHN Cc1cc(C)cc(NC(=O)c2ccc(CN)cn2)c1 ZINC000111281118 186387745 /nfs/dbraw/zinc/38/77/45/186387745.db2.gz ZYBIRDKEGZOQLX-UHFFFAOYSA-N 0 3 255.321 2.409 10 0 CEAEHN NCc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)nc1 ZINC000111281610 186388064 /nfs/dbraw/zinc/38/80/64/186388064.db2.gz ZNJJLWNIOFXEJL-ZIAGYGMSSA-N 0 3 273.380 2.193 10 0 CEAEHN CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(CN)cn1 ZINC000111281791 186388240 /nfs/dbraw/zinc/38/82/40/186388240.db2.gz XTNANQFGULMGQK-QWHCGFSZSA-N 0 3 261.369 2.239 10 0 CEAEHN COCCN(C)CCNc1ccc(N)cc1C(F)F ZINC000111292027 186390730 /nfs/dbraw/zinc/39/07/30/186390730.db2.gz ACEXSLFYLXAGOG-UHFFFAOYSA-N 0 3 273.327 2.197 10 0 CEAEHN CCc1cc(N2CCNCC2)nc(-c2ccccc2F)n1 ZINC000070451625 363083880 /nfs/dbraw/zinc/08/38/80/363083880.db2.gz VYFFSQOFDXHGRM-UHFFFAOYSA-N 0 3 286.354 2.255 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)C1CCOCC1 ZINC000123071779 187069060 /nfs/dbraw/zinc/06/90/60/187069060.db2.gz DGBDHYHDQBSONU-ZFWWWQNUSA-N 0 3 284.444 2.142 10 0 CEAEHN Cc1cnn([C@H]2CCCN(Cc3cccn3C)C2)c1 ZINC000123099362 187070807 /nfs/dbraw/zinc/07/08/07/187070807.db2.gz FNTXDXLPWUKMEW-HNNXBMFYSA-N 0 3 258.369 2.367 10 0 CEAEHN Cc1ccc(CN2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC000122715400 187047419 /nfs/dbraw/zinc/04/74/19/187047419.db2.gz FZAIMDRLJGYLCU-OAHLLOKOSA-N 0 3 260.381 2.356 10 0 CEAEHN Cc1cnn(CCN[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000124111917 187122497 /nfs/dbraw/zinc/12/24/97/187122497.db2.gz MFVCTKUPRIDXRN-ZDUSSCGKSA-N 0 3 287.363 2.314 10 0 CEAEHN C[C@H](CN[C@@H](C)c1cc(F)ccc1F)N1CCOCC1 ZINC000123258555 187080703 /nfs/dbraw/zinc/08/07/03/187080703.db2.gz MJVHUJKKLUABGD-NEPJUHHUSA-N 0 3 284.350 2.336 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC1(CCOCC)CCCC1 ZINC000236939181 370660137 /nfs/dbraw/zinc/66/01/37/370660137.db2.gz MYHBEIWLIKHXON-CYBMUJFWSA-N 0 3 270.417 2.217 10 0 CEAEHN CSCC[C@@H](N)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000157804162 188339029 /nfs/dbraw/zinc/33/90/29/188339029.db2.gz CIVSEHMKDCIPCU-CQSZACIVSA-N 0 3 292.448 2.206 10 0 CEAEHN Fc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2ncnn2C1 ZINC000183217706 282995755 /nfs/dbraw/zinc/99/57/55/282995755.db2.gz IBASJMZUSBEKRK-DZGCQCFKSA-N 0 3 286.354 2.399 10 0 CEAEHN CNc1ccc(CN(CCOC)[C@@H](C)C2CC2)cn1 ZINC000050816726 522606456 /nfs/dbraw/zinc/60/64/56/522606456.db2.gz GJGFORZXHZKXQW-LBPRGKRZSA-N 0 3 263.385 2.370 10 0 CEAEHN CCN(CC)c1ncc(CN[C@@H]2CCO[C@@H]2C)s1 ZINC000134246067 366302449 /nfs/dbraw/zinc/30/24/49/366302449.db2.gz HGIHNUWONCEVLY-ZYHUDNBSSA-N 0 3 269.414 2.256 10 0 CEAEHN NCc1ccnc(Br)c1Br ZINC000575624045 366306316 /nfs/dbraw/zinc/30/63/16/366306316.db2.gz KZYREBNZXCNRSE-UHFFFAOYSA-N 0 3 265.936 2.065 10 0 CEAEHN C[C@@H]1COC[C@]1(N)c1cscc1Br ZINC000575568361 366295815 /nfs/dbraw/zinc/29/58/15/366295815.db2.gz CNABZLJECVGOQA-HZGVNTEJSA-N 0 3 262.172 2.331 10 0 CEAEHN C[C@@H]1C[C@@](N)(c2cscc2Br)CO1 ZINC000575566321 366296175 /nfs/dbraw/zinc/29/61/75/366296175.db2.gz UBRMBZIPDINDCE-MUWHJKNJSA-N 0 3 262.172 2.473 10 0 CEAEHN C[C@H](NC(=O)C(C)(C)N)c1ccc(F)c(Cl)c1 ZINC000076317310 363536650 /nfs/dbraw/zinc/53/66/50/363536650.db2.gz HMJZEUOOEVAUJF-ZETCQYMHSA-N 0 3 258.724 2.394 10 0 CEAEHN CN(CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)Cc1ccccc1 ZINC000386664665 540262827 /nfs/dbraw/zinc/26/28/27/540262827.db2.gz FEQCGHYNJSCSRX-MUJYYYPQSA-N 0 3 272.392 2.281 10 0 CEAEHN C[C@@]1(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CCCCN1 ZINC000136139160 366498467 /nfs/dbraw/zinc/49/84/67/366498467.db2.gz YPBJAFOQROQHGE-PWSUYJOCSA-N 0 3 278.318 2.320 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000151649010 366657139 /nfs/dbraw/zinc/65/71/39/366657139.db2.gz ICXGHVAXVAUYCD-AWEZNQCLSA-N 0 3 299.378 2.245 10 0 CEAEHN CCC[C@@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000216822992 283525687 /nfs/dbraw/zinc/52/56/87/283525687.db2.gz AAOKEYFKLWVFCS-OEXLFXSVSA-N 0 3 250.386 2.199 10 0 CEAEHN C[C@@H]1CN(C/C=C/c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000177241696 189038863 /nfs/dbraw/zinc/03/88/63/189038863.db2.gz UZYLOJKETRDKHL-QWYBNYMASA-N 0 3 286.419 2.352 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@H](C(=O)OC)c1ccccc1 ZINC000177700204 189064568 /nfs/dbraw/zinc/06/45/68/189064568.db2.gz QMGVLZQJJYUDNQ-HOTGVXAUSA-N 0 3 290.407 2.317 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H]1CCOc2ccc(F)cc21)N(C)C ZINC000179260942 189181395 /nfs/dbraw/zinc/18/13/95/189181395.db2.gz NFKNXNGKRFQLAD-KBPBESRZSA-N 0 3 294.370 2.496 10 0 CEAEHN C[C@H](NCC(=O)N(C)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000180649570 189267934 /nfs/dbraw/zinc/26/79/34/189267934.db2.gz NAHOSVAIMNLNGT-ZDUSSCGKSA-N 0 3 298.390 2.144 10 0 CEAEHN O=C(c1ccccc1OC(F)F)N1CCN2CCC[C@@H]2C1 ZINC000002790956 361251132 /nfs/dbraw/zinc/25/11/32/361251132.db2.gz WQVMZNYFTFPWGT-LLVKDONJSA-N 0 3 296.317 2.208 10 0 CEAEHN [NH3+]CCc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000011849327 361366030 /nfs/dbraw/zinc/36/60/30/361366030.db2.gz ROEYHYXPTPBNET-UHFFFAOYSA-N 0 3 294.351 2.128 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([O-])c1 ZINC000182532880 189327113 /nfs/dbraw/zinc/32/71/13/189327113.db2.gz XJRMXAPXTQUDPO-ZIAGYGMSSA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc([O-])c1 ZINC000182532880 189327114 /nfs/dbraw/zinc/32/71/14/189327114.db2.gz XJRMXAPXTQUDPO-ZIAGYGMSSA-N 0 3 274.364 2.091 10 0 CEAEHN Cc1cccc2c(NCCc3ncnn3C)ccnc12 ZINC000301679595 201134500 /nfs/dbraw/zinc/13/45/00/201134500.db2.gz RIPYMEKPIZJLAN-UHFFFAOYSA-N 0 3 267.336 2.326 10 0 CEAEHN CCc1nsc(N2C[C@H]3CCCN3C[C@H]2CC)n1 ZINC000301950447 201274663 /nfs/dbraw/zinc/27/46/63/201274663.db2.gz GQSXYKWHASHQTP-GHMZBOCLSA-N 0 3 266.414 2.164 10 0 CEAEHN C(c1nc2c(s1)CCCC2)N1CCN2CCC[C@@H]2C1 ZINC000678984536 541201269 /nfs/dbraw/zinc/20/12/69/541201269.db2.gz CJENCQPRLKQFDH-GFCCVEGCSA-N 0 3 277.437 2.302 10 0 CEAEHN C[C@H]1CN(C[C@H](O)COCc2ccccc2)CCS1 ZINC000084963595 363827612 /nfs/dbraw/zinc/82/76/12/363827612.db2.gz UKLGZCSZOISRGZ-ZFWWWQNUSA-N 0 3 281.421 2.001 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCc1ncc[nH]1 ZINC000089150753 363938144 /nfs/dbraw/zinc/93/81/44/363938144.db2.gz RDAFCEWLMYZHQT-NEPJUHHUSA-N 0 3 294.399 2.193 10 0 CEAEHN COc1c(CN(C)CC2CCCC2)c(C)nn1C ZINC000092667320 364097374 /nfs/dbraw/zinc/09/73/74/364097374.db2.gz QRSAGTGIAYTXCW-UHFFFAOYSA-N 0 3 251.374 2.359 10 0 CEAEHN Cc1n[nH]cc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000092812955 364110706 /nfs/dbraw/zinc/11/07/06/364110706.db2.gz RJSWRPPAFSFNPF-CYBMUJFWSA-N 0 3 271.368 2.047 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCc1cscn1 ZINC000094434713 364273690 /nfs/dbraw/zinc/27/36/90/364273690.db2.gz CELKJNYRYSLZAN-TZMCWYRMSA-N 0 3 265.426 2.244 10 0 CEAEHN O=[S@@](c1nc2ccccc2nc1Cl)[C@H]1CCCNC1 ZINC000095069766 364329497 /nfs/dbraw/zinc/32/94/97/364329497.db2.gz UHYBAPCJUWUVRV-UGZDLDLSSA-N 0 3 295.795 2.143 10 0 CEAEHN COC[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000103364220 364645276 /nfs/dbraw/zinc/64/52/76/364645276.db2.gz KJZVKPPCBAVGEU-AWEZNQCLSA-N 0 3 290.407 2.050 10 0 CEAEHN COC[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000103430176 364652258 /nfs/dbraw/zinc/65/22/58/364652258.db2.gz KHIVRGSQBOFYLK-ZBFHGGJFSA-N 0 3 290.407 2.050 10 0 CEAEHN COCc1cccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000113229269 364879200 /nfs/dbraw/zinc/87/92/00/364879200.db2.gz HZYJSLRQGFANJU-XJKSGUPXSA-N 0 3 288.391 2.142 10 0 CEAEHN C[C@@H]1C[C@H]1NCc1ccccc1OCC(=O)NCC1CC1 ZINC000116338858 365051835 /nfs/dbraw/zinc/05/18/35/365051835.db2.gz RBMSAKYJZPGLAA-IUODEOHRSA-N 0 3 288.391 2.090 10 0 CEAEHN CCn1nccc1CNC(C)(C)CNC(=O)OC(C)(C)C ZINC000119060559 365208635 /nfs/dbraw/zinc/20/86/35/365208635.db2.gz LLPSYPCCANZYIJ-UHFFFAOYSA-N 0 3 296.415 2.296 10 0 CEAEHN CCSCCN1CCC(c2nncn2CC)CC1 ZINC000119307789 365252067 /nfs/dbraw/zinc/25/20/67/365252067.db2.gz QXIULRXQYNYJPY-UHFFFAOYSA-N 0 3 268.430 2.231 10 0 CEAEHN Cc1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1C ZINC000120639935 365454160 /nfs/dbraw/zinc/45/41/60/365454160.db2.gz YURQGBQQXWWCIV-HZPDHXFCSA-N 0 3 276.424 2.190 10 0 CEAEHN Cc1cccc([C@@H](C)NC[C@@H](O)COC(C)C)c1 ZINC000160215288 366984175 /nfs/dbraw/zinc/98/41/75/366984175.db2.gz DWLKHTUCKVATJL-UKRRQHHQSA-N 0 3 251.370 2.432 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)CC(C)(C)OC ZINC000245420560 370817588 /nfs/dbraw/zinc/81/75/88/370817588.db2.gz MWCQFRZHJLNVNH-ZIAGYGMSSA-N 0 3 299.459 2.316 10 0 CEAEHN Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000162596848 367172886 /nfs/dbraw/zinc/17/28/86/367172886.db2.gz ADFALODYMTUDOI-GFCCVEGCSA-N 0 3 266.772 2.425 10 0 CEAEHN CCC[C@@H](C(=O)N1CCS[C@@H](C(C)C)C1)N(C)C ZINC000162346749 367152361 /nfs/dbraw/zinc/15/23/61/367152361.db2.gz UHRZCOLCZMRZPF-QWHCGFSZSA-N 0 3 272.458 2.317 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(C)s2)CCN1C[C@H](C)O ZINC000245705240 370860402 /nfs/dbraw/zinc/86/04/02/370860402.db2.gz DZDWJLKUHCDAEY-JSGCOSHPSA-N 0 3 282.453 2.334 10 0 CEAEHN CCc1cnc(NC(=O)N2C[C@@H]3CCCN3C[C@H]2C)s1 ZINC000245601224 370846519 /nfs/dbraw/zinc/84/65/19/370846519.db2.gz VRBYQVIRGBCRRA-MNOVXSKESA-N 0 3 294.424 2.406 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCc2ccccc2Cl)C1 ZINC000170834829 367427199 /nfs/dbraw/zinc/42/71/99/367427199.db2.gz RAEUPMPOZFTRIV-CYBMUJFWSA-N 0 3 295.814 2.228 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCc2cc(F)ccc2F)C1 ZINC000170855748 367433058 /nfs/dbraw/zinc/43/30/58/367433058.db2.gz KGZUGBFPDCVENY-ZDUSSCGKSA-N 0 3 282.334 2.060 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000170863671 367433957 /nfs/dbraw/zinc/43/39/57/367433957.db2.gz LUJAQZMPYJSROB-ZDUSSCGKSA-N 0 3 269.348 2.011 10 0 CEAEHN CCOC(=O)CCCN1CC[C@@H](CNc2ccccn2)C1 ZINC000171037650 367465974 /nfs/dbraw/zinc/46/59/74/367465974.db2.gz YHGKDECDGJPVRM-AWEZNQCLSA-N 0 3 291.395 2.159 10 0 CEAEHN C[C@@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1cccs1 ZINC000171747085 367608124 /nfs/dbraw/zinc/60/81/24/367608124.db2.gz HXXKVKRIXJVXFV-NEPJUHHUSA-N 0 3 281.425 2.450 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1cccs1 ZINC000172349738 367724249 /nfs/dbraw/zinc/72/42/49/367724249.db2.gz BDHUDQAVTOWREG-VXGBXAGGSA-N 0 3 264.394 2.158 10 0 CEAEHN CC(C)(C)c1nc(CN2CCN3CCCC[C@@H]3C2)no1 ZINC000172801520 367821308 /nfs/dbraw/zinc/82/13/08/367821308.db2.gz BXMGTSPSVYMGCC-GFCCVEGCSA-N 0 3 278.400 2.037 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000262592805 284005230 /nfs/dbraw/zinc/00/52/30/284005230.db2.gz VIDDWDBGAXYQDW-JMSVASOKSA-N 0 3 270.417 2.214 10 0 CEAEHN C[C@@H](CNC(=O)N1CC[C@@H](N(C)C)C1)Cc1cccs1 ZINC000173914073 367958544 /nfs/dbraw/zinc/95/85/44/367958544.db2.gz BNYPQDUHBTWCNI-CHWSQXEVSA-N 0 3 295.452 2.272 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[O-] ZINC000175436724 368137420 /nfs/dbraw/zinc/13/74/20/368137420.db2.gz JIJWPLHDRYMHIY-CHWSQXEVSA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[O-] ZINC000175436724 368137427 /nfs/dbraw/zinc/13/74/27/368137427.db2.gz JIJWPLHDRYMHIY-CHWSQXEVSA-N 0 3 274.364 2.091 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CN1CCO[C@H](CN(C)C)C1 ZINC000182933802 368599783 /nfs/dbraw/zinc/59/97/83/368599783.db2.gz IWPBASLFPOHIFD-QLFBSQMISA-N 0 3 254.418 2.075 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246041585 370902433 /nfs/dbraw/zinc/90/24/33/370902433.db2.gz RYZRXIMMWUGEHG-AGIUHOORSA-N 0 3 294.345 2.279 10 0 CEAEHN CC[C@@H](OC1CCCCC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000246040494 370902537 /nfs/dbraw/zinc/90/25/37/370902537.db2.gz RPJKGDKXRPDZQQ-GOEBONIOSA-N 0 3 294.439 2.421 10 0 CEAEHN C[C@H]1CN(C[C@@H](O)Cc2ccccc2)CCS1 ZINC000246195796 370925123 /nfs/dbraw/zinc/92/51/23/370925123.db2.gz XAAJQTKFKOSAFA-JSGCOSHPSA-N 0 3 251.395 2.027 10 0 CEAEHN COc1ccc(OCCN2CCN3CCCC[C@H]3C2)cc1 ZINC000246150298 370915429 /nfs/dbraw/zinc/91/54/29/370915429.db2.gz GEKPLOPSBFAWFO-HNNXBMFYSA-N 0 3 290.407 2.244 10 0 CEAEHN C[C@H]1C[C@H](CCN(C)CC(=O)N(C)C)C[C@@H](C)C1 ZINC000246258322 370937311 /nfs/dbraw/zinc/93/73/11/370937311.db2.gz QHDXSUOSYJTKQW-WDNDVIMCSA-N 0 3 254.418 2.469 10 0 CEAEHN C[C@H](N[C@@H]1CCCS(=O)(=O)CC1)c1cccs1 ZINC000634949800 368983992 /nfs/dbraw/zinc/98/39/92/368983992.db2.gz AFCKHLDYIOANJP-WDEREUQCSA-N 0 3 273.423 2.366 10 0 CEAEHN Cc1nccnc1[C@H](C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000188230345 369322012 /nfs/dbraw/zinc/32/20/12/369322012.db2.gz ABIIGJJCWJRWAE-FPMFFAJLSA-N 0 3 262.401 2.164 10 0 CEAEHN CCn1cc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000190288584 369610602 /nfs/dbraw/zinc/61/06/02/369610602.db2.gz UPFYIAYIHPUXIN-GJZGRUSLSA-N 0 3 291.420 2.172 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1ccccc1 ZINC000193245527 369910140 /nfs/dbraw/zinc/91/01/40/369910140.db2.gz JXIKWKSPJDVBHJ-HNNXBMFYSA-N 0 3 251.370 2.296 10 0 CEAEHN C=Cn1cc(CN2CCC(Cn3cccn3)CC2)cn1 ZINC000193912919 369991398 /nfs/dbraw/zinc/99/13/98/369991398.db2.gz ZWEVPSKYCJBLMI-UHFFFAOYSA-N 0 3 271.368 2.092 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1cccc(OC)c1 ZINC000227905886 370388676 /nfs/dbraw/zinc/38/86/76/370388676.db2.gz XIFNGBYGHWJISI-OAHLLOKOSA-N 0 3 281.396 2.305 10 0 CEAEHN CC(C)n1cc(CN[C@@H]2CCCCC[C@H]2O)cn1 ZINC000232784464 370511266 /nfs/dbraw/zinc/51/12/66/370511266.db2.gz KQAKLORNFPSDRB-ZIAGYGMSSA-N 0 3 251.374 2.247 10 0 CEAEHN COCCOC[C@@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000234740661 370542101 /nfs/dbraw/zinc/54/21/01/370542101.db2.gz JFKQYEAEMSBVQT-UWVGGRQHSA-N 0 3 293.816 2.076 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000236787806 370626844 /nfs/dbraw/zinc/62/68/44/370626844.db2.gz XTJIHTLNPXKCPD-GXFFZTMASA-N 0 3 250.342 2.460 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H]2C[C@@]23CCc2ccccc23)C1 ZINC000246761064 371005435 /nfs/dbraw/zinc/00/54/35/371005435.db2.gz QMHQYXFALWYWFN-KVSKMBFKSA-N 0 3 298.430 2.491 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000246959526 371037173 /nfs/dbraw/zinc/03/71/73/371037173.db2.gz MQHZDINPKHAAIK-STQMWFEESA-N 0 3 293.798 2.434 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC000247366620 371098528 /nfs/dbraw/zinc/09/85/28/371098528.db2.gz OWMCCCRJBJUECF-OFQRWUPVSA-N 0 3 290.407 2.299 10 0 CEAEHN Cc1cccc(OCC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000247346612 371096292 /nfs/dbraw/zinc/09/62/92/371096292.db2.gz NUJCXRKUWMKFMD-GDBMZVCRSA-N 0 3 290.407 2.219 10 0 CEAEHN C[C@H](c1ccc(F)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000247379517 371101569 /nfs/dbraw/zinc/10/15/69/371101569.db2.gz VRNJQLJQIBMKNY-DOMZBBRYSA-N 0 3 266.360 2.149 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248876648 371261190 /nfs/dbraw/zinc/26/11/90/371261190.db2.gz RBZGSZGXXMRWGJ-VRKREXBASA-N 0 3 287.407 2.215 10 0 CEAEHN C=Cn1cc(CN2CC[C@]3(O)CCCC[C@H]3C2)cn1 ZINC000249037936 371285198 /nfs/dbraw/zinc/28/51/98/371285198.db2.gz TYSXZUSKWCVRFN-LSDHHAIUSA-N 0 3 261.369 2.111 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCCC[C@H]2C)C1 ZINC000249748650 371359186 /nfs/dbraw/zinc/35/91/86/371359186.db2.gz BCPYWOPESYIXPN-CHWSQXEVSA-N 0 3 253.390 2.055 10 0 CEAEHN Cc1ccnc(N2C[C@@H](C)NC[C@H]2C)c1Br ZINC000261533986 371639734 /nfs/dbraw/zinc/63/97/34/371639734.db2.gz MQOAEAPTIYKYKL-NXEZZACHSA-N 0 3 284.201 2.339 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CCNC(=O)[C@H](N)C1CCOCC1 ZINC000261788647 371732601 /nfs/dbraw/zinc/73/26/01/371732601.db2.gz NKMCVRRJCGCKAW-VNHYZAJKSA-N 0 3 282.428 2.073 10 0 CEAEHN CCCC1CCC(NC(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261795046 371734416 /nfs/dbraw/zinc/73/44/16/371734416.db2.gz NUKWFILADWYJRR-ZALBZXLWSA-N 0 3 282.428 2.215 10 0 CEAEHN CN(CCC1CCCCC1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261904565 371767090 /nfs/dbraw/zinc/76/70/90/371767090.db2.gz WWNPODPTAXWAAB-HNNXBMFYSA-N 0 3 282.428 2.169 10 0 CEAEHN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CCCCN1 ZINC000262496508 371868146 /nfs/dbraw/zinc/86/81/46/371868146.db2.gz ZSZWSBWQYLAJHS-HOTGVXAUSA-N 0 3 290.407 2.019 10 0 CEAEHN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1CCCCN1 ZINC000262496506 371868260 /nfs/dbraw/zinc/86/82/60/371868260.db2.gz ZSZWSBWQYLAJHS-CVEARBPZSA-N 0 3 290.407 2.019 10 0 CEAEHN CCC[C@](C)(N)C(=O)Nc1ccnc2ccncc21 ZINC000262674267 371894132 /nfs/dbraw/zinc/89/41/32/371894132.db2.gz QTDCDGJBGONITI-AWEZNQCLSA-N 0 3 258.325 2.086 10 0 CEAEHN CC(C)n1ccnc1Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641051849 372259102 /nfs/dbraw/zinc/25/91/02/372259102.db2.gz SJUBNUSMCCYHOB-CYBMUJFWSA-N 0 3 276.388 2.150 10 0 CEAEHN CCc1ncnc(N2C[C@H]3CCCN3C[C@H]2CC)c1F ZINC000271163231 373153734 /nfs/dbraw/zinc/15/37/34/373153734.db2.gz JGSDUNHDRPVVHA-VXGBXAGGSA-N 0 3 278.375 2.241 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(Cl)cc2C)CCCN1 ZINC000643614790 373220276 /nfs/dbraw/zinc/22/02/76/373220276.db2.gz LFQJAEGVYWFDIW-CQSZACIVSA-N 0 3 282.771 2.356 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(Cl)cc2C)CCCN1 ZINC000643614789 373221095 /nfs/dbraw/zinc/22/10/95/373221095.db2.gz LFQJAEGVYWFDIW-AWEZNQCLSA-N 0 3 282.771 2.356 10 0 CEAEHN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CNCCOC1 ZINC000643620560 373225076 /nfs/dbraw/zinc/22/50/76/373225076.db2.gz AQSONRRQOIPUIO-GDBMZVCRSA-N 0 3 290.407 2.050 10 0 CEAEHN C[C@H](NC(=O)[C@@H]1CNCCC1(F)F)c1cccs1 ZINC000644016491 373340197 /nfs/dbraw/zinc/34/01/97/373340197.db2.gz XEWZOOVJYWSDPL-IUCAKERBSA-N 0 3 274.336 2.170 10 0 CEAEHN Cc1nc(CNC[C@H]2CCc3nccn3C2)cs1 ZINC000275540138 374218044 /nfs/dbraw/zinc/21/80/44/374218044.db2.gz MPMMHLWULGWGBB-LLVKDONJSA-N 0 3 262.382 2.000 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC2([S@@](C)=O)CC2)c1C ZINC000380188115 375159513 /nfs/dbraw/zinc/15/95/13/375159513.db2.gz VIIYLKXEWQKHIV-APBUJDDRSA-N 0 3 283.441 2.082 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2sccc2C)C1 ZINC000165251457 541992504 /nfs/dbraw/zinc/99/25/04/541992504.db2.gz RFBJBOYUDMFCCB-QWHCGFSZSA-N 0 3 268.426 2.428 10 0 CEAEHN CCN1CC[C@@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000389515663 375306332 /nfs/dbraw/zinc/30/63/32/375306332.db2.gz FYKHXTNBXIGSMR-GFCCVEGCSA-N 0 3 278.787 2.172 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1cnc(C)o1 ZINC000398062070 375346559 /nfs/dbraw/zinc/34/65/59/375346559.db2.gz KLBQPGMBURIVMK-KGLIPLIRSA-N 0 3 263.385 2.432 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)N[C@H]1CCC(=O)N[C@H]1C ZINC000282175527 375420830 /nfs/dbraw/zinc/42/08/30/375420830.db2.gz FISPVIMJFAZUJB-OBJOEFQTSA-N 0 3 276.380 2.321 10 0 CEAEHN Cc1nc(C)c([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)s1 ZINC000282311566 375454694 /nfs/dbraw/zinc/45/46/94/375454694.db2.gz NBTZGWBHDHFMFB-POZPLHJXSA-N 0 3 267.398 2.078 10 0 CEAEHN Cc1n[nH]cc1CNC[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000282595258 375526543 /nfs/dbraw/zinc/52/65/43/375526543.db2.gz CNZKQWPNEUHOPT-SNVBAGLBSA-N 0 3 282.388 2.063 10 0 CEAEHN C[C@@H](CNCc1cccn1C)N(C)C(=O)OC(C)(C)C ZINC000282913821 375611767 /nfs/dbraw/zinc/61/17/67/375611767.db2.gz VIIUMRJZXUZMHR-LBPRGKRZSA-N 0 3 281.400 2.370 10 0 CEAEHN C[C@H](NCCn1cncn1)c1cccc(Br)c1 ZINC000310317131 376621725 /nfs/dbraw/zinc/62/17/25/376621725.db2.gz VMGINEDNFCCJFW-JTQLQIEISA-N 0 3 295.184 2.391 10 0 CEAEHN C[C@@](O)(CN1CCN(C2CCC2)CC1)c1ccccc1 ZINC000264991876 190150161 /nfs/dbraw/zinc/15/01/61/190150161.db2.gz NIABNVISCIRAEP-QGZVFWFLSA-N 0 3 274.408 2.064 10 0 CEAEHN CCOc1ccccc1OCCN1CCC[C@H](O)[C@@H]1C ZINC000295859663 378332813 /nfs/dbraw/zinc/33/28/13/378332813.db2.gz DTWQLLHATNLXSJ-KBPBESRZSA-N 0 3 279.380 2.309 10 0 CEAEHN OCC[C@H]1CSCCN1C[C@H]1Cc2ccccc21 ZINC000347051499 218106425 /nfs/dbraw/zinc/10/64/25/218106425.db2.gz KLRUGXZZBXLVHN-KGLIPLIRSA-N 0 3 263.406 2.126 10 0 CEAEHN CC(C)NCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000574585318 299509751 /nfs/dbraw/zinc/50/97/51/299509751.db2.gz SRISJZQRKFYKIG-LLVKDONJSA-N 0 3 267.398 2.195 10 0 CEAEHN CNC(=O)[C@H](CC(C)C)N[C@H]1CCc2ccccc21 ZINC000037161843 542278178 /nfs/dbraw/zinc/27/81/78/542278178.db2.gz ZCXJOGYGIYCNPM-GJZGRUSLSA-N 0 3 260.381 2.424 10 0 CEAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)N(C)C1CCCCC1 ZINC000183170098 542287179 /nfs/dbraw/zinc/28/71/79/542287179.db2.gz PCCHYOAKNSPMBC-YDHLFZDLSA-N 0 3 282.428 2.323 10 0 CEAEHN CCN(C1CCCC1)S(=O)(=O)c1cccc(CNC)c1 ZINC000088959179 184615709 /nfs/dbraw/zinc/61/57/09/184615709.db2.gz MQEJBKFKMZMTQL-UHFFFAOYSA-N 0 3 296.436 2.359 10 0 CEAEHN CCOc1ccc([C@@H](N)C(OCC)OCC)cc1 ZINC000093306448 184662420 /nfs/dbraw/zinc/66/24/20/184662420.db2.gz YALRXQZDTWKJNF-CYBMUJFWSA-N 0 3 253.342 2.484 10 0 CEAEHN CC(C)(C)c1ncc(CN[C@@H]2CCC[C@H](O)C2)cn1 ZINC000388573847 542371536 /nfs/dbraw/zinc/37/15/36/542371536.db2.gz UMFCAENSIKGAJK-OLZOCXBDSA-N 0 3 263.385 2.167 10 0 CEAEHN COCCSC[C@@H](N)c1ccc(OC)cc1OC ZINC000081778776 177858451 /nfs/dbraw/zinc/85/84/51/177858451.db2.gz PUUMEQOZAIYVKJ-GFCCVEGCSA-N 0 3 271.382 2.083 10 0 CEAEHN O=C1[C@@H]2CN(Cc3cccnc3)C[C@@H]2CN1c1ccsc1 ZINC000247847372 256697187 /nfs/dbraw/zinc/69/71/87/256697187.db2.gz FGZLFJWCIIIVQQ-UKRRQHHQSA-N 0 3 299.399 2.238 10 0 CEAEHN Cc1ccc(C[C@@H](C)N[C@H](C)C(=O)NC(C)C)s1 ZINC000080246484 177631636 /nfs/dbraw/zinc/63/16/36/177631636.db2.gz RZEJFNSAFHGCLZ-ZYHUDNBSSA-N 0 3 268.426 2.490 10 0 CEAEHN CCC[NH2+][C@@]1(C(=O)[O-])CC[C@H](N2CCCCCC2)C1 ZINC000093823391 184725532 /nfs/dbraw/zinc/72/55/32/184725532.db2.gz VLAUYEJXRYOZOL-ZFWWWQNUSA-N 0 3 268.401 2.238 10 0 CEAEHN Cc1cc(C)cc(O[C@@H]2CC[C@](NC(C)C)(C(N)=O)C2)c1 ZINC000093845909 184731088 /nfs/dbraw/zinc/73/10/88/184731088.db2.gz KASIHKOWOJCEJD-RHSMWYFYSA-N 0 3 290.407 2.457 10 0 CEAEHN CCN[C@@H](c1cccc(C)c1)[C@@H]1CN(CC)CCO1 ZINC000093914813 184742008 /nfs/dbraw/zinc/74/20/08/184742008.db2.gz ZRPGEYRRIPFBAY-HOTGVXAUSA-N 0 3 262.397 2.366 10 0 CEAEHN CC[C@@](C)(N)C(=O)NCCc1cccc(Cl)c1 ZINC000094236758 184767373 /nfs/dbraw/zinc/76/73/73/184767373.db2.gz LRFUXBVYOLMSLA-CYBMUJFWSA-N 0 3 254.761 2.126 10 0 CEAEHN C[C@]1(c2ncc3c(n2)CC(C)(C)C[C@@H]3N)CCCO1 ZINC000094785369 184863956 /nfs/dbraw/zinc/86/39/56/184863956.db2.gz BZJXEPCRBUDVOR-XHDPSFHLSA-N 0 3 261.369 2.474 10 0 CEAEHN Cc1nc(-c2cncc(Br)c2)nc(C)c1CN ZINC000094825457 184874672 /nfs/dbraw/zinc/87/46/72/184874672.db2.gz NFMZLMFWJAUWBD-UHFFFAOYSA-N 0 3 293.168 2.377 10 0 CEAEHN C[C@@H]1COCCN1[C@@H](CN)c1cccc(C2CC2)c1 ZINC000094520609 184813817 /nfs/dbraw/zinc/81/38/17/184813817.db2.gz UFBDFTHSPZBDQV-WBMJQRKESA-N 0 3 260.381 2.285 10 0 CEAEHN CCOc1cc(CNC2CC2)ccc1O[C@@H](C)[C@H](C)O ZINC000094652745 184834484 /nfs/dbraw/zinc/83/44/84/184834484.db2.gz VIZGQAMWCPSJGP-RYUDHWBXSA-N 0 3 279.380 2.485 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2cccc(F)c2F)[C@@H](CC)CN1 ZINC000094713626 184845618 /nfs/dbraw/zinc/84/56/18/184845618.db2.gz LUFHCBPDLLMLFG-OLZOCXBDSA-N 0 3 296.361 2.496 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N[C@@H](C)CCCO)CCO2 ZINC000094942540 184898411 /nfs/dbraw/zinc/89/84/11/184898411.db2.gz IUKGEKFERMBONW-FZMZJTMJSA-N 0 3 265.353 2.269 10 0 CEAEHN c1nc2n(n1)C[C@H](NCc1ccc(OCC3CC3)cc1)CC2 ZINC000190973140 130168400 /nfs/dbraw/zinc/16/84/00/130168400.db2.gz XOBNORHFRUUUDS-OAHLLOKOSA-N 0 3 298.390 2.172 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1CN(C)C ZINC000191159565 130194015 /nfs/dbraw/zinc/19/40/15/130194015.db2.gz JVVYSORZIXSHKF-BBRMVZONSA-N 0 3 290.407 2.180 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000262113722 131192220 /nfs/dbraw/zinc/19/22/20/131192220.db2.gz HXAWYVUUTNDCGG-JKOKRWQUSA-N 0 3 282.384 2.155 10 0 CEAEHN NCc1c(F)cccc1N1CCO[C@H]2CCC[C@@H]21 ZINC000093395389 135080321 /nfs/dbraw/zinc/08/03/21/135080321.db2.gz IKVRYUPOPYSJCY-KBPBESRZSA-N 0 3 250.317 2.042 10 0 CEAEHN CCO[C@@H]1CCCN(c2cccc(F)c2CN)C1 ZINC000093395336 135080434 /nfs/dbraw/zinc/08/04/34/135080434.db2.gz RNYZKLLWEQKUQO-LLVKDONJSA-N 0 3 252.333 2.290 10 0 CEAEHN CN(C)C[C@@H](NCc1ccccn1)c1ccccc1 ZINC000020129436 394470673 /nfs/dbraw/zinc/47/06/73/394470673.db2.gz AYBOSLVSTJGTEK-MRXNPFEDSA-N 0 3 255.365 2.474 10 0 CEAEHN CC(C)[C@H]1CC[C@H](C(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000245509078 394500714 /nfs/dbraw/zinc/50/07/14/394500714.db2.gz JWTQDAADXDRACY-BZUAXINKSA-N 0 3 296.455 2.238 10 0 CEAEHN C[C@@]1(CN2CCN3CCCC[C@H]3C2)CCCS1 ZINC000250789010 394564971 /nfs/dbraw/zinc/56/49/71/394564971.db2.gz HOETYGAWPIQZIU-KBPBESRZSA-N 0 3 254.443 2.442 10 0 CEAEHN CC[C@H]1CN(CCc2ccc(C)cc2)CCN1C[C@H](C)O ZINC000246864203 394522349 /nfs/dbraw/zinc/52/23/49/394522349.db2.gz ISFOZWFMGFSKAX-WMZOPIPTSA-N 0 3 290.451 2.315 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCSC[C@@H](C)C2)C1 ZINC000248807504 394547463 /nfs/dbraw/zinc/54/74/63/394547463.db2.gz RVTQHJLYKSEIBX-MJBXVCDLSA-N 0 3 299.484 2.110 10 0 CEAEHN FC(F)(F)c1cnc(N2CCN3CCC[C@H]3C2)s1 ZINC000276869490 394816474 /nfs/dbraw/zinc/81/64/74/394816474.db2.gz JYKGYPBECRUAAQ-QMMMGPOBSA-N 0 3 277.315 2.446 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(CCOc2cccc(Cl)c2)C1 ZINC000401723932 533673179 /nfs/dbraw/zinc/67/31/79/533673179.db2.gz ZJZRVWWNTYGVDE-DGCLKSJQSA-N 0 3 269.772 2.422 10 0 CEAEHN CC(C)(C)OC(=O)CCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000131937860 394921890 /nfs/dbraw/zinc/92/18/90/394921890.db2.gz BBKQPFRTOIIORK-CZUORRHYSA-N 0 3 283.412 2.345 10 0 CEAEHN Cc1cnn(C)c1CNC[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000286062452 395007066 /nfs/dbraw/zinc/00/70/66/395007066.db2.gz RNOURQYITPPXDQ-GFCCVEGCSA-N 0 3 296.415 2.074 10 0 CEAEHN Cc1nccn1CCNCc1cc(C)c(O)c(C)c1 ZINC000289325627 395074541 /nfs/dbraw/zinc/07/45/41/395074541.db2.gz UFKOAPDKNYZIPM-UHFFFAOYSA-N 0 3 259.353 2.304 10 0 CEAEHN CO[C@@H](CNC(=O)[C@@H](N)CC(C)C)c1ccc(F)cc1 ZINC000162623736 395077377 /nfs/dbraw/zinc/07/73/77/395077377.db2.gz BJMODUYEEWTUPF-KBPBESRZSA-N 0 3 282.359 2.003 10 0 CEAEHN CC[C@H](C)[C@H](CN1CCN2CCCC[C@@H]2C1)OC ZINC000381331871 395173775 /nfs/dbraw/zinc/17/37/75/395173775.db2.gz ZETXYQCPPCNROJ-ZNMIVQPWSA-N 0 3 254.418 2.218 10 0 CEAEHN CCc1ccnc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000181933505 395228113 /nfs/dbraw/zinc/22/81/13/395228113.db2.gz XEXZDVHSYUHSQR-WFASDCNBSA-N 0 3 275.396 2.103 10 0 CEAEHN O[C@@H]1CC[C@@H]2CN(CCOc3ccccc3F)C[C@H]2C1 ZINC000398929934 395240500 /nfs/dbraw/zinc/24/05/00/395240500.db2.gz OGAKJRHCMRTDSD-MGPQQGTHSA-N 0 3 279.355 2.297 10 0 CEAEHN Cc1cc(CN2C[C@H]3CCCN3C[C@@H]2C)sn1 ZINC000404316403 395281026 /nfs/dbraw/zinc/28/10/26/395281026.db2.gz OPRRNQBCYYBLAI-NWDGAFQWSA-N 0 3 251.399 2.120 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccns1 ZINC000404287909 395281296 /nfs/dbraw/zinc/28/12/96/395281296.db2.gz JANUJMYPZLVPDA-NEPJUHHUSA-N 0 3 251.399 2.202 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC1(SC)CCC1 ZINC000195119277 395460047 /nfs/dbraw/zinc/46/00/47/395460047.db2.gz ISVIYSLCYFWVSV-CYBMUJFWSA-N 0 3 299.484 2.398 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccc(C)cc2)C1 ZINC000194311084 395432753 /nfs/dbraw/zinc/43/27/53/395432753.db2.gz JANVJFFXKGVOAF-OAHLLOKOSA-N 0 3 275.396 2.279 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H](C)Oc2ccc(C)cc2)C1 ZINC000194625748 395444014 /nfs/dbraw/zinc/44/40/14/395444014.db2.gz QGYHOAATXKTGAX-CABCVRRESA-N 0 3 290.407 2.363 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000036871079 400112549 /nfs/dbraw/zinc/11/25/49/400112549.db2.gz MICIWSJWRKYDNE-SXVOREPOSA-N 0 3 264.413 2.445 10 0 CEAEHN O[C@H]1CCC[C@@H](CN2CCN(C3CCCC3)CC2)C1 ZINC000389419121 400537749 /nfs/dbraw/zinc/53/77/49/400537749.db2.gz NAEASKONXNNBHS-ZBFHGGJFSA-N 0 3 266.429 2.098 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1cc(F)ccc1F ZINC000398972701 400563196 /nfs/dbraw/zinc/56/31/96/400563196.db2.gz XGVIHSRPUOZJKQ-ISVAXAHUSA-N 0 3 268.307 2.269 10 0 CEAEHN CCN(C)c1ccc(CN[C@H](C)[C@@H]2CCCO2)cn1 ZINC000190755244 153143248 /nfs/dbraw/zinc/14/32/48/153143248.db2.gz XNDZIXVYCROGBU-OCCSQVGLSA-N 0 3 263.385 2.195 10 0 CEAEHN CCN(C)c1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000191382018 153173470 /nfs/dbraw/zinc/17/34/70/153173470.db2.gz CIEOBVAAZJGVMR-HNNXBMFYSA-N 0 3 299.422 2.261 10 0 CEAEHN C[C@@H]1CN(CCN2CCC[C@@H]2c2ccco2)CCO1 ZINC000192741806 153216426 /nfs/dbraw/zinc/21/64/26/153216426.db2.gz RTWAFNQNEAAMNI-ZIAGYGMSSA-N 0 3 264.369 2.137 10 0 CEAEHN CC(C)N(C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCO1)C(C)C ZINC000193127728 153228327 /nfs/dbraw/zinc/22/83/27/153228327.db2.gz FAEQQAGSRXTAJB-IHRRRGAJSA-N 0 3 270.417 2.177 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1cccc(O)c1)CC2 ZINC000194921847 153271582 /nfs/dbraw/zinc/27/15/82/153271582.db2.gz QRKNFFVJZOZUEM-DGCLKSJQSA-N 0 3 286.379 2.212 10 0 CEAEHN CC[C@@H](c1nc([C@H]2CNCCN2C)no1)c1ccccc1 ZINC000263149429 154024703 /nfs/dbraw/zinc/02/47/03/154024703.db2.gz CZSRHZYXRTYNCA-ZIAGYGMSSA-N 0 3 286.379 2.188 10 0 CEAEHN Cc1cccc(C2(c3nc([C@@H]4CNCCN4C)no3)CC2)c1 ZINC000263200653 154033705 /nfs/dbraw/zinc/03/37/05/154033705.db2.gz JAVUZQHHGVMXTC-AWEZNQCLSA-N 0 3 298.390 2.034 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000263502696 154103590 /nfs/dbraw/zinc/10/35/90/154103590.db2.gz LEIRWPQZHHKVRS-HIFPTAJRSA-N 0 3 270.417 2.338 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)CC(C)(C)C)C1 ZINC000263502696 154103593 /nfs/dbraw/zinc/10/35/93/154103593.db2.gz LEIRWPQZHHKVRS-HIFPTAJRSA-N 0 3 270.417 2.338 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)CC(C)(C)C)C1 ZINC000263502696 154103597 /nfs/dbraw/zinc/10/35/97/154103597.db2.gz LEIRWPQZHHKVRS-HIFPTAJRSA-N 0 3 270.417 2.338 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1c1nc(C2CC2)ns1 ZINC000301966480 154182168 /nfs/dbraw/zinc/18/21/68/154182168.db2.gz VQNQMBPMPKSCJX-NEPJUHHUSA-N 0 3 278.425 2.479 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000247244132 296721963 /nfs/dbraw/zinc/72/19/63/296721963.db2.gz NGAYVMAQAZMBOF-SYQHCUMBSA-N 0 3 267.417 2.157 10 0 CEAEHN COc1c(CNC[C@H]2CCCCS2)c(C)nn1C ZINC000168140012 162363775 /nfs/dbraw/zinc/36/37/75/162363775.db2.gz STEFIZPBDDZNQI-LLVKDONJSA-N 0 3 269.414 2.112 10 0 CEAEHN CC(C)C[C@H](C)CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171299693 162382130 /nfs/dbraw/zinc/38/21/30/162382130.db2.gz PBNWHYIOQPXSEW-UONOGXRCSA-N 0 3 252.402 2.365 10 0 CEAEHN Cc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1F ZINC000171807173 162391073 /nfs/dbraw/zinc/39/10/73/162391073.db2.gz INNMZTHSPHAHMU-CQSZACIVSA-N 0 3 291.370 2.124 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)N2CCN3CCC[C@@H]3C2)o1 ZINC000171898503 165054489 /nfs/dbraw/zinc/05/44/89/165054489.db2.gz SYKNMALGKCVTNC-CHWSQXEVSA-N 0 3 277.368 2.139 10 0 CEAEHN CCn1cc(C2CCN([C@H](C)COC)CC2)cn1 ZINC000173604912 165076539 /nfs/dbraw/zinc/07/65/39/165076539.db2.gz NQJVIMNZGDXPJR-GFCCVEGCSA-N 0 3 251.374 2.117 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NCC1CCCCC1 ZINC000175361458 165133124 /nfs/dbraw/zinc/13/31/24/165133124.db2.gz KFWHRHMBNPTAGX-MRXNPFEDSA-N 0 3 295.471 2.099 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCCc2csc(C)n2)C1 ZINC000176267226 165159679 /nfs/dbraw/zinc/15/96/79/165159679.db2.gz VXDMAWJUJHBLKH-ZDUSSCGKSA-N 0 3 295.452 2.375 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@H]1C=CCC1 ZINC000176998050 165181434 /nfs/dbraw/zinc/18/14/34/165181434.db2.gz VGEOWEXKVYXSAI-KBPBESRZSA-N 0 3 250.386 2.285 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCC1CCOCC1 ZINC000176983312 165182730 /nfs/dbraw/zinc/18/27/30/165182730.db2.gz LRUGCBJCKHKCER-HNNXBMFYSA-N 0 3 282.428 2.136 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)C)nn1C ZINC000177024853 165185663 /nfs/dbraw/zinc/18/56/63/165185663.db2.gz HUPWDKXGYSGVMD-CYBMUJFWSA-N 0 3 292.427 2.100 10 0 CEAEHN Fc1ccc2oc(CN3CCN4CCC[C@@H]4C3)nc2c1 ZINC000177066853 165186522 /nfs/dbraw/zinc/18/65/22/165186522.db2.gz YHWYJHLAYVOXOF-GFCCVEGCSA-N 0 3 275.327 2.247 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(OCCC(C)C)CC1 ZINC000178428051 165241697 /nfs/dbraw/zinc/24/16/97/165241697.db2.gz OAYFDZMJQDSCNS-DZGCQCFKSA-N 0 3 284.444 2.414 10 0 CEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)CCCOC ZINC000178416962 165241733 /nfs/dbraw/zinc/24/17/33/165241733.db2.gz CUIDUPTVOTYFNX-VXGBXAGGSA-N 0 3 266.389 2.080 10 0 CEAEHN Cc1nc([C@@H]2CN(CC3CCCCCC3)CCO2)n[nH]1 ZINC000180105144 165295291 /nfs/dbraw/zinc/29/52/91/165295291.db2.gz ONCKKNYJGRIMKA-AWEZNQCLSA-N 0 3 278.400 2.457 10 0 CEAEHN CC[C@@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCCN2CC)CCO1 ZINC000180346821 165306357 /nfs/dbraw/zinc/30/63/57/165306357.db2.gz RKGSRNGIZNFULK-SOUVJXGZSA-N 0 3 282.428 2.134 10 0 CEAEHN C[C@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccoc1 ZINC000180930878 165326081 /nfs/dbraw/zinc/32/60/81/165326081.db2.gz TUDFOZXXOMQJSY-GXTWGEPZSA-N 0 3 272.352 2.389 10 0 CEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@H](CCOC)C(C)C ZINC000182231122 165367292 /nfs/dbraw/zinc/36/72/92/165367292.db2.gz IPVJTVLBMHGUKI-CHWSQXEVSA-N 0 3 280.416 2.326 10 0 CEAEHN CCOC(=O)[C@H](CC(C)C)N1CCN2CCCC[C@@H]2C1 ZINC000182340456 165369291 /nfs/dbraw/zinc/36/92/91/165369291.db2.gz JGHDCXYOVHXSIC-CABCVRRESA-N 0 3 282.428 2.134 10 0 CEAEHN CC(C)c1cnc(CN2CCO[C@@H](CN(C)C)C2)s1 ZINC000182933730 165380398 /nfs/dbraw/zinc/38/03/98/165380398.db2.gz QCNCAIISBMDBCR-LBPRGKRZSA-N 0 3 283.441 2.029 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000132823219 287222664 /nfs/dbraw/zinc/22/26/64/287222664.db2.gz SVQQJGFBQCUSSH-DSJMHWKBSA-N 0 3 292.423 2.077 10 0 CEAEHN CN(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000004819367 170022311 /nfs/dbraw/zinc/02/23/11/170022311.db2.gz PIGDJLGVMWCDEX-ZDUSSCGKSA-N 0 3 251.370 2.285 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)Oc1ccccc1CN ZINC000020386359 171175859 /nfs/dbraw/zinc/17/58/59/171175859.db2.gz YADYYRBHIMLYAJ-LLVKDONJSA-N 0 3 264.369 2.217 10 0 CEAEHN COc1cccc(OC)c1[C@@H](N)Cc1ccccn1 ZINC000020429047 171194064 /nfs/dbraw/zinc/19/40/64/171194064.db2.gz WKBONYAXDWAXEY-LBPRGKRZSA-N 0 3 258.321 2.341 10 0 CEAEHN C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)c1ccccc1CN ZINC000022165828 171365656 /nfs/dbraw/zinc/36/56/56/171365656.db2.gz QFFMHZXKRHPIGI-SCRDCRAPSA-N 0 3 296.436 2.248 10 0 CEAEHN NC[C@H](c1cnn(-c2ccccc2)c1)N1CCCCC1 ZINC000022211629 171374037 /nfs/dbraw/zinc/37/40/37/171374037.db2.gz PBBVVZKOQFRMDZ-MRXNPFEDSA-N 0 3 270.380 2.358 10 0 CEAEHN CN(C)[C@H](CN)c1cc(Br)ccc1F ZINC000022219045 171376687 /nfs/dbraw/zinc/37/66/87/171376687.db2.gz MYEGCPVPTYMWDW-SNVBAGLBSA-N 0 3 261.138 2.150 10 0 CEAEHN CN(c1c(N)cccc1Cl)C1CCN(C)CC1 ZINC000022222771 171379222 /nfs/dbraw/zinc/37/92/22/171379222.db2.gz GUWKUJIHTUYFPL-UHFFFAOYSA-N 0 3 253.777 2.453 10 0 CEAEHN CCN1CCN([C@@H](C(C)C)[C@@H](N)c2ccccc2)CC1 ZINC000022566038 171391587 /nfs/dbraw/zinc/39/15/87/171391587.db2.gz NZGHQZYQSJCRKU-IRXDYDNUSA-N 0 3 275.440 2.349 10 0 CEAEHN CC(C)CNC(=O)[C@@H](C)N[C@H]1CCc2ccccc21 ZINC000035180615 172034459 /nfs/dbraw/zinc/03/44/59/172034459.db2.gz BBXIMHIPCQZANR-DOMZBBRYSA-N 0 3 260.381 2.424 10 0 CEAEHN CCNCc1cccc(OC)c1OC[C@@H]1CCCO1 ZINC000035413710 172186625 /nfs/dbraw/zinc/18/66/25/172186625.db2.gz YDCKXFHBALDVTN-ZDUSSCGKSA-N 0 3 265.353 2.363 10 0 CEAEHN CN[C@H](c1cc(OC)ccc1OC)[C@H]1CCCO1 ZINC000035466744 172214254 /nfs/dbraw/zinc/21/42/54/172214254.db2.gz GEOLBTYJAHCSEG-ZIAGYGMSSA-N 0 3 251.326 2.143 10 0 CEAEHN CN[C@@H](c1cccs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488374 172223211 /nfs/dbraw/zinc/22/32/11/172223211.db2.gz HGCFKANAPKEKLJ-GFCCVEGCSA-N 0 3 259.334 2.227 10 0 CEAEHN COCCSCCCOc1ccccc1CN ZINC000035721901 172377692 /nfs/dbraw/zinc/37/76/92/172377692.db2.gz VHEZAXMZUSAJCH-UHFFFAOYSA-N 0 3 255.383 2.294 10 0 CEAEHN CCCN[C@H]1c2ccccc2S(=O)(=O)C[C@@H]1C ZINC000035760565 172398915 /nfs/dbraw/zinc/39/89/15/172398915.db2.gz ISKFIMWZJJOQOG-GXFFZTMASA-N 0 3 253.367 2.151 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1Cn1cccn1 ZINC000037023499 172887050 /nfs/dbraw/zinc/88/70/50/172887050.db2.gz XETAOHCGCOCSSP-WFASDCNBSA-N 0 3 286.379 2.243 10 0 CEAEHN CCNCc1c(C)nn(C)c1N(C)C[C@@H](C)CC ZINC000037173757 173007487 /nfs/dbraw/zinc/00/74/87/173007487.db2.gz AVBCWAQXEUVUOM-NSHDSACASA-N 0 3 252.406 2.320 10 0 CEAEHN Cc1ccc([C@@H](N)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000037308733 173112085 /nfs/dbraw/zinc/11/20/85/173112085.db2.gz QRJJHJZQNLGSBO-CQSZACIVSA-N 0 3 254.289 2.478 10 0 CEAEHN NC(=O)CCNC(c1ccccc1)c1ccccc1 ZINC000037362186 173151954 /nfs/dbraw/zinc/15/19/54/173151954.db2.gz WKDQJWRSVMFUMU-UHFFFAOYSA-N 0 3 254.333 2.241 10 0 CEAEHN C[C@@H](NC(=O)CNC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000037386773 173170058 /nfs/dbraw/zinc/17/00/58/173170058.db2.gz RAIYTQBNBBZNCT-SFCYXTAJSA-N 0 3 276.424 2.460 10 0 CEAEHN COC(=O)CCCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000037416878 173193910 /nfs/dbraw/zinc/19/39/10/173193910.db2.gz QJZXEMJAIOIEJX-LLVKDONJSA-N 0 3 279.336 2.062 10 0 CEAEHN Cc1ccc(NC(=O)CNCCc2ccco2)cc1 ZINC000037976021 173931585 /nfs/dbraw/zinc/93/15/85/173931585.db2.gz MZBNLJGPZFQSSA-UHFFFAOYSA-N 0 3 258.321 2.359 10 0 CEAEHN CC[C@@H](C)N[C@@](CC)(C(N)=O)c1ccc(F)cc1 ZINC000038065510 174076135 /nfs/dbraw/zinc/07/61/35/174076135.db2.gz DCBUZVZBPJKZBY-QMTHXVAHSA-N 0 3 252.333 2.304 10 0 CEAEHN CC[C@H](C)N[C@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000038065769 174077163 /nfs/dbraw/zinc/07/71/63/174077163.db2.gz WNBBLNVSOWAEHF-HZMBPMFUSA-N 0 3 266.410 2.497 10 0 CEAEHN CCCN1CCC(N[C@@H](C)CC)(C(=O)OCC)CC1 ZINC000038067402 174079427 /nfs/dbraw/zinc/07/94/27/174079427.db2.gz HHDFRHKCVIRFHZ-ZDUSSCGKSA-N 0 3 270.417 2.182 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)N[C@@H](C)Cc1ccco1 ZINC000038092867 174106820 /nfs/dbraw/zinc/10/68/20/174106820.db2.gz WZQHFQXMHACMEG-NWDGAFQWSA-N 0 3 252.358 2.057 10 0 CEAEHN CC(C)(C)CN[C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000040493132 174292777 /nfs/dbraw/zinc/29/27/77/174292777.db2.gz RWRRQHJESQKEFX-CYBMUJFWSA-N 0 3 280.412 2.472 10 0 CEAEHN CN[C@H](C)c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495031 174293848 /nfs/dbraw/zinc/29/38/48/174293848.db2.gz JTLVQJAJKYRFDX-LLVKDONJSA-N 0 3 284.425 2.291 10 0 CEAEHN CCc1ncc(CN[C@@H]2CCCN(CC)C2)s1 ZINC000040502999 174300220 /nfs/dbraw/zinc/30/02/20/174300220.db2.gz YGSSUYRUCUVPEO-LLVKDONJSA-N 0 3 253.415 2.279 10 0 CEAEHN CCN(CC)[C@H](CNC(=O)OC)c1ccc(OC)cc1 ZINC000040614926 174353616 /nfs/dbraw/zinc/35/36/16/174353616.db2.gz HYNBRAPKDMCOKB-CQSZACIVSA-N 0 3 280.368 2.434 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000040630242 174358057 /nfs/dbraw/zinc/35/80/57/174358057.db2.gz ZWLZGWPVQPSQHU-KGLIPLIRSA-N 0 3 262.353 2.125 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000040634354 174360421 /nfs/dbraw/zinc/36/04/21/174360421.db2.gz LJRLCFZGAPVNCR-ZFWWWQNUSA-N 0 3 292.379 2.098 10 0 CEAEHN COc1ccc(-c2c[nH]c([C@@H]3C[C@@H](OC)CN3)n2)cc1F ZINC000040637805 174362079 /nfs/dbraw/zinc/36/20/79/174362079.db2.gz KNSXOPRMGXUHFE-PWSUYJOCSA-N 0 3 291.326 2.274 10 0 CEAEHN NNc1ncnc(Oc2ccc3ccccc3c2)c1N ZINC000040687841 174375948 /nfs/dbraw/zinc/37/59/48/174375948.db2.gz LOHZZWADVOEVML-UHFFFAOYSA-N 0 3 267.292 2.290 10 0 CEAEHN Cc1cc(=O)n(C[C@@H](N)c2ccc3ccccc3c2)cn1 ZINC000040728134 174387832 /nfs/dbraw/zinc/38/78/32/174387832.db2.gz HMYJXCYXDMXTLJ-MRXNPFEDSA-N 0 3 279.343 2.405 10 0 CEAEHN Oc1ccc(CCN[C@H]2COc3cc(O)ccc32)cc1 ZINC000040735467 174389229 /nfs/dbraw/zinc/38/92/29/174389229.db2.gz WMZRQYHVBSUCJT-HNNXBMFYSA-N 0 3 271.316 2.364 10 0 CEAEHN C[C@@H]1CC(=O)N(C[C@@H](N)c2ccc(C(C)(C)C)cc2)C1=O ZINC000040739862 174390353 /nfs/dbraw/zinc/39/03/53/174390353.db2.gz IZTPKJTZNUEVDS-BXUZGUMPSA-N 0 3 288.391 2.379 10 0 CEAEHN C[C@@H]1CC(=O)N(C[C@H](N)c2cccc3ccccc32)C1=O ZINC000040739842 174390391 /nfs/dbraw/zinc/39/03/91/174390391.db2.gz ZMRDTPQECKMMNE-ABAIWWIYSA-N 0 3 282.343 2.235 10 0 CEAEHN CC[C@@H](N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000040856026 174423133 /nfs/dbraw/zinc/42/31/33/174423133.db2.gz POKDCFBMXICRPF-SECBINFHSA-N 0 3 296.392 2.089 10 0 CEAEHN Cc1cc(C)cc(OCCN2C[C@H](C)C[C@@H](O)C2)c1 ZINC000401698498 414754637 /nfs/dbraw/zinc/75/46/37/414754637.db2.gz LTKPSBPIDFTKAG-HUUCEWRRSA-N 0 3 263.381 2.385 10 0 CEAEHN Cc1ccc(C)c(OCCn2cc(C(C)(C)N)nn2)c1 ZINC000070118628 414766492 /nfs/dbraw/zinc/76/64/92/414766492.db2.gz LQIDXDJVFRLGQM-UHFFFAOYSA-N 0 3 274.368 2.168 10 0 CEAEHN COc1ccc(N(C)C(=O)[C@H](N)CC(C)C)cc1 ZINC000130107874 414812874 /nfs/dbraw/zinc/81/28/74/414812874.db2.gz BLZKEQJLDIRCIL-CYBMUJFWSA-N 0 3 250.342 2.031 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@H](CN)C(F)(F)F)c(C)c1 ZINC000662976848 414816356 /nfs/dbraw/zinc/81/63/56/414816356.db2.gz QTNQRNDFFJPDCA-LLVKDONJSA-N 0 3 274.286 2.265 10 0 CEAEHN CN(C(=O)c1cccc2cc[nH]c21)[C@H](CN)C(F)(F)F ZINC000662986684 414818125 /nfs/dbraw/zinc/81/81/25/414818125.db2.gz IAIYQFHFRUJYPA-SNVBAGLBSA-N 0 3 285.269 2.130 10 0 CEAEHN CCCC[C@@H](C)C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662985012 414818623 /nfs/dbraw/zinc/81/86/23/414818623.db2.gz QCIUMRLMDUHTTN-RKDXNWHRSA-N 0 3 254.296 2.161 10 0 CEAEHN CN(C(=O)c1ccc(F)c(Cl)c1)[C@@H](CN)C(F)(F)F ZINC000662985721 414819096 /nfs/dbraw/zinc/81/90/96/414819096.db2.gz ZGMJNCTUNLFVGF-VIFPVBQESA-N 0 3 298.667 2.441 10 0 CEAEHN Cc1ncc(CN[C@@H](C)CN(C)Cc2ccccc2)n1C ZINC000657430215 414932085 /nfs/dbraw/zinc/93/20/85/414932085.db2.gz ZLKRRHRPRPETLY-AWEZNQCLSA-N 0 3 286.423 2.339 10 0 CEAEHN OCC1CC(NCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000657808417 415087760 /nfs/dbraw/zinc/08/77/60/415087760.db2.gz IXDMOYFIXBMTSB-UHFFFAOYSA-N 0 3 297.782 2.362 10 0 CEAEHN COc1cccc(CNC2CC(CO)C2)c1OC(F)F ZINC000657809497 415088766 /nfs/dbraw/zinc/08/87/66/415088766.db2.gz ZGHLYMJJXMBXLV-UHFFFAOYSA-N 0 3 287.306 2.157 10 0 CEAEHN COc1cc(CNC2CC(CO)C2)c(SC)cc1OC ZINC000657813191 415090629 /nfs/dbraw/zinc/09/06/29/415090629.db2.gz SFVZJIOBBHQWPL-UHFFFAOYSA-N 0 3 297.420 2.286 10 0 CEAEHN CCN(CC)C(=O)CN(C)[C@H](CN)c1ccc(Cl)cc1 ZINC000042946248 174921250 /nfs/dbraw/zinc/92/12/50/174921250.db2.gz RORKJFMVGVFFHL-CQSZACIVSA-N 0 3 297.830 2.140 10 0 CEAEHN N[C@H](c1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300098 175001070 /nfs/dbraw/zinc/00/10/70/175001070.db2.gz NYOMCMGAZKVQRF-HQJQHLMTSA-N 0 3 294.203 2.428 10 0 CEAEHN CCN[C@H](c1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301079 175002098 /nfs/dbraw/zinc/00/20/98/175002098.db2.gz QHHPFBBJUASOCA-DZGCQCFKSA-N 0 3 297.420 2.171 10 0 CEAEHN CCN(CC)CCN[C@H](C(=O)OC)c1cccc(C)c1C ZINC000043315611 175004909 /nfs/dbraw/zinc/00/49/09/175004909.db2.gz RTHUNBHRJHVUKX-INIZCTEOSA-N 0 3 292.423 2.449 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)[C@@H]2CCCCN2)c1 ZINC000043318534 175005599 /nfs/dbraw/zinc/00/55/99/175005599.db2.gz JVIZGELNLNYKRN-NSHDSACASA-N 0 3 268.744 2.429 10 0 CEAEHN NC[C@@H](Oc1ccc(F)c(F)c1)c1ccncc1 ZINC000043356195 175023775 /nfs/dbraw/zinc/02/37/75/175023775.db2.gz QBXVPASLBQTPAA-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN Cc1ccc([C@H]([C@H](C)N)N2CCOCC2(C)C)o1 ZINC000043364747 175025403 /nfs/dbraw/zinc/02/54/03/175025403.db2.gz UTISYESDOSDPOV-AAEUAGOBSA-N 0 3 252.358 2.087 10 0 CEAEHN CCN(C[C@@H]1CCCO1)[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000043364784 175025827 /nfs/dbraw/zinc/02/58/27/175025827.db2.gz RRCNFDIYCLEPFI-VNHYZAJKSA-N 0 3 266.385 2.477 10 0 CEAEHN CCN[C@H](CN(CC)CC)c1ccc2c(c1)OCO2 ZINC000043809278 175109857 /nfs/dbraw/zinc/10/98/57/175109857.db2.gz HAGVMZDBQBNUGX-CYBMUJFWSA-N 0 3 264.369 2.408 10 0 CEAEHN CCN[C@@H](CN(CC)CCOC)c1ccc2c(c1)OCO2 ZINC000043968649 175129610 /nfs/dbraw/zinc/12/96/10/175129610.db2.gz BVCJHDKYIUKYJE-AWEZNQCLSA-N 0 3 294.395 2.034 10 0 CEAEHN NC[C@H](Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000044796212 175254488 /nfs/dbraw/zinc/25/44/88/175254488.db2.gz UOJGSPBBCGCECK-HNNXBMFYSA-N 0 3 260.381 2.207 10 0 CEAEHN Cc1cccnc1NC(=O)[C@@H](CN)Cc1ccccc1 ZINC000044799308 175255412 /nfs/dbraw/zinc/25/54/12/175255412.db2.gz ZOUMDUJSEKDGEQ-CQSZACIVSA-N 0 3 269.348 2.146 10 0 CEAEHN Cc1ccnc(NC(=O)[C@@H](CN)Cc2ccccc2)c1 ZINC000044799408 175255428 /nfs/dbraw/zinc/25/54/28/175255428.db2.gz FDHPUHBDMICENW-CQSZACIVSA-N 0 3 269.348 2.146 10 0 CEAEHN CC1(C)C[C@H]1N[C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000045118816 175311939 /nfs/dbraw/zinc/31/19/39/175311939.db2.gz OBHYARIRFYRKAK-QWHCGFSZSA-N 0 3 278.396 2.225 10 0 CEAEHN CC1(C)C[C@H]1NCC(=O)Nc1c(F)cccc1F ZINC000045119520 175312152 /nfs/dbraw/zinc/31/21/52/175312152.db2.gz UNTQTFMLMMUWIZ-SNVBAGLBSA-N 0 3 254.280 2.291 10 0 CEAEHN CC1(C)C[C@@H]1NS(=O)(=O)c1ccc(CNC2CC2)cc1 ZINC000045138394 175314705 /nfs/dbraw/zinc/31/47/05/175314705.db2.gz JIFOJUCEHUUDDL-AWEZNQCLSA-N 0 3 294.420 2.015 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@@H]2CCCO2)c1C ZINC000045167757 175319431 /nfs/dbraw/zinc/31/94/31/175319431.db2.gz DUWWGBIPJDWSBO-MFKMUULPSA-N 0 3 251.374 2.349 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)Cn2cccn2)c1C ZINC000045171226 175320891 /nfs/dbraw/zinc/32/08/91/175320891.db2.gz VTRJTEJVVASTRY-NEPJUHHUSA-N 0 3 275.400 2.456 10 0 CEAEHN CCCNC(=O)CCN[C@H](C)c1c(C)nn(CC)c1C ZINC000045172894 175322338 /nfs/dbraw/zinc/32/23/38/175322338.db2.gz USWOYTAOELHYBF-LLVKDONJSA-N 0 3 280.416 2.087 10 0 CEAEHN CCCN[C@](C)(CN1CCCCCCC1)C(=O)OC ZINC000045223679 175331339 /nfs/dbraw/zinc/33/13/39/175331339.db2.gz CIRYLPMRCHLYFV-OAHLLOKOSA-N 0 3 270.417 2.184 10 0 CEAEHN CCN[C@@](C)(CN1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231777 175335824 /nfs/dbraw/zinc/33/58/24/175335824.db2.gz NZKOQDJDOUUKAB-YDHLFZDLSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCN[C@](C)(CN1CCCC[C@@H]1CC)C(=O)OC ZINC000045265852 175338898 /nfs/dbraw/zinc/33/88/98/175338898.db2.gz UQBYARSRSIHDSK-DZGCQCFKSA-N 0 3 270.417 2.182 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN(C)C1CCCC1)C(=O)[O-] ZINC000045266217 175339180 /nfs/dbraw/zinc/33/91/80/175339180.db2.gz RLONCHQOTKTKMJ-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266217 175339181 /nfs/dbraw/zinc/33/91/81/175339181.db2.gz RLONCHQOTKTKMJ-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266217 175339183 /nfs/dbraw/zinc/33/91/83/175339183.db2.gz RLONCHQOTKTKMJ-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN[C@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC000045272083 175343026 /nfs/dbraw/zinc/34/30/26/175343026.db2.gz JKWTWFHJFLAXDL-ZMSDIMECSA-N 0 3 296.455 2.430 10 0 CEAEHN CCN(CC[C@@](C)(NC1CC1)C(N)=O)c1cccc(F)c1 ZINC000045275503 175345484 /nfs/dbraw/zinc/34/54/84/175345484.db2.gz STZKBDWXSPOFNT-MRXNPFEDSA-N 0 3 293.386 2.038 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](CCC)CC1CC1)C(=O)[O-] ZINC000045276874 175346599 /nfs/dbraw/zinc/34/65/99/175346599.db2.gz IKTNQPGCOMEGJW-OAHLLOKOSA-N 0 3 270.417 2.341 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](CCC)CC1CC1)C(=O)[O-] ZINC000045276874 175346601 /nfs/dbraw/zinc/34/66/01/175346601.db2.gz IKTNQPGCOMEGJW-OAHLLOKOSA-N 0 3 270.417 2.341 10 0 CEAEHN CCN[C@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277393 175347263 /nfs/dbraw/zinc/34/72/63/175347263.db2.gz ONEOWTULMVTXIX-GDBMZVCRSA-N 0 3 282.428 2.484 10 0 CEAEHN CCN[C@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277393 175347265 /nfs/dbraw/zinc/34/72/65/175347265.db2.gz ONEOWTULMVTXIX-GDBMZVCRSA-N 0 3 282.428 2.484 10 0 CEAEHN CCC1CCN(C[C@@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281395 175351845 /nfs/dbraw/zinc/35/18/45/175351845.db2.gz OBUGZGGNWMLICY-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN COC(=O)[C@](C)(CN(C)CC1CCCCC1)NC(C)C ZINC000045281580 175352585 /nfs/dbraw/zinc/35/25/85/175352585.db2.gz XZXDLYFGMKRJFX-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCN[C@H](CN(C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045420956 175379580 /nfs/dbraw/zinc/37/95/80/175379580.db2.gz RJUMUMURLDZIRR-QWHCGFSZSA-N 0 3 272.433 2.284 10 0 CEAEHN CCOC(=O)[C@H](CN(C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045420962 175379722 /nfs/dbraw/zinc/37/97/22/175379722.db2.gz KIPYVNQUKFCFTL-STQMWFEESA-N 0 3 272.433 2.283 10 0 CEAEHN Nc1ncccc1C[C@H](N)c1ccc2ccccc2n1 ZINC000070407586 175913508 /nfs/dbraw/zinc/91/35/08/175913508.db2.gz PKFWXKHAXGSSHQ-ZDUSSCGKSA-N 0 3 264.332 2.455 10 0 CEAEHN CNCc1ccnn1Cc1ccc(Br)s1 ZINC000070708826 176002295 /nfs/dbraw/zinc/00/22/95/176002295.db2.gz UUAFBBARPFJWDZ-UHFFFAOYSA-N 0 3 286.198 2.475 10 0 CEAEHN NCc1ccnn1Cc1ccc(Br)cc1 ZINC000070708227 176002530 /nfs/dbraw/zinc/00/25/30/176002530.db2.gz AVZGNYZXDYCRBO-UHFFFAOYSA-N 0 3 266.142 2.153 10 0 CEAEHN C[C@@H](Cc1ccc(F)cc1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071031283 176022648 /nfs/dbraw/zinc/02/26/48/176022648.db2.gz UKNASYAVVSVZCC-BLLLJJGKSA-N 0 3 290.382 2.500 10 0 CEAEHN CC(C)N[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000071032939 176023861 /nfs/dbraw/zinc/02/38/61/176023861.db2.gz UWSZRBGDOJKKQU-LBPRGKRZSA-N 0 3 254.280 2.068 10 0 CEAEHN Cc1ccc([C@@H](C)N2CCC[C@@H](NC3CC3)C2=O)o1 ZINC000071033758 176024100 /nfs/dbraw/zinc/02/41/00/176024100.db2.gz CDOHXRJJLJTOQT-DGCLKSJQSA-N 0 3 262.353 2.392 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccccc1OC(F)F ZINC000071039477 176027178 /nfs/dbraw/zinc/02/71/78/176027178.db2.gz FQWNCBBSVZJWSX-SNVBAGLBSA-N 0 3 282.290 2.145 10 0 CEAEHN Cc1cc(N2CC[C@H](NC(C)C)C2=O)ccc1F ZINC000071042680 176028469 /nfs/dbraw/zinc/02/84/69/176028469.db2.gz QCDLRBHHMFKOHJ-ZDUSSCGKSA-N 0 3 250.317 2.237 10 0 CEAEHN CCNCc1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071098951 176032705 /nfs/dbraw/zinc/03/27/05/176032705.db2.gz MZLCLPZIYWOWSO-MRXNPFEDSA-N 0 3 271.364 2.307 10 0 CEAEHN NCc1cnc(N(Cc2cccs2)C2CC2)cn1 ZINC000071177927 176055530 /nfs/dbraw/zinc/05/55/30/176055530.db2.gz PHBJPENTIZBGTD-UHFFFAOYSA-N 0 3 260.366 2.166 10 0 CEAEHN Cc1ncsc1CNC[C@H]1Cc2ccccc2CN1 ZINC000071213741 176085234 /nfs/dbraw/zinc/08/52/34/176085234.db2.gz LPMGIGKVDFQJAJ-CQSZACIVSA-N 0 3 273.405 2.256 10 0 CEAEHN COCCN(CCC(N)=S)Cc1ccc(Cl)cc1 ZINC000071226211 176089742 /nfs/dbraw/zinc/08/97/42/176089742.db2.gz UFFHYZTZENOWTC-UHFFFAOYSA-N 0 3 286.828 2.465 10 0 CEAEHN COc1ccc(CNC2=NC[C@@H](C3CC3)S2)cn1 ZINC000071308121 176116353 /nfs/dbraw/zinc/11/63/53/176116353.db2.gz MWCAJKCZNGPISN-NSHDSACASA-N 0 3 263.366 2.061 10 0 CEAEHN CC(C)OCCCNC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335448 176126927 /nfs/dbraw/zinc/12/69/27/176126927.db2.gz NSRKUDBTUXFGGN-UHFFFAOYSA-N 0 3 272.389 2.010 10 0 CEAEHN Nc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1Cl ZINC000071395864 176149780 /nfs/dbraw/zinc/14/97/80/176149780.db2.gz OQGDQKIKMXPCEL-UHFFFAOYSA-N 0 3 293.798 2.279 10 0 CEAEHN COc1cc([C@@H](CO)NC(C)C)c(OC)cc1C ZINC000071574797 176202037 /nfs/dbraw/zinc/20/20/37/176202037.db2.gz SPQXTBMSCVOXCN-GFCCVEGCSA-N 0 3 253.342 2.044 10 0 CEAEHN Cc1cc(Br)cn2cc([C@@H](C)N)nc12 ZINC000076792137 177097316 /nfs/dbraw/zinc/09/73/16/177097316.db2.gz BCXLTUJMVKOAPV-SSDOTTSWSA-N 0 3 254.131 2.425 10 0 CEAEHN CCc1nccn1CCN1CCN(Cc2ccccc2)CC1 ZINC000077162645 177229689 /nfs/dbraw/zinc/22/96/89/177229689.db2.gz KYEWTIUFJQHTFW-UHFFFAOYSA-N 0 3 298.434 2.263 10 0 CEAEHN Cc1nc2sccn2c1CNC[C@@H]1CCCC[C@@H]1O ZINC000077204580 177232891 /nfs/dbraw/zinc/23/28/91/177232891.db2.gz CFMCRQSJWFRQSE-AAEUAGOBSA-N 0 3 279.409 2.345 10 0 CEAEHN C[C@@H](NC[C@@H](O)CO)c1ccc(-c2ccccc2)cc1 ZINC000078430040 177340704 /nfs/dbraw/zinc/34/07/04/177340704.db2.gz DWTOYLPNZNZRIR-CXAGYDPISA-N 0 3 271.360 2.357 10 0 CEAEHN C[C@@H](CS(C)(=O)=O)Nc1ccnc2ccccc21 ZINC000078637821 177363028 /nfs/dbraw/zinc/36/30/28/177363028.db2.gz ZNJHECLHYIJNGD-JTQLQIEISA-N 0 3 264.350 2.080 10 0 CEAEHN Cc1cc2ncc(CNC[C@@]3(O)CCC[C@H](C)C3)cn2n1 ZINC000078638669 177363614 /nfs/dbraw/zinc/36/36/14/177363614.db2.gz MASPACIYOBFFNA-BLLLJJGKSA-N 0 3 288.395 2.069 10 0 CEAEHN CCN[C@@](C)(CCSc1ncccc1Cl)C(N)=O ZINC000079448763 177492258 /nfs/dbraw/zinc/49/22/58/177492258.db2.gz MAXUWXFYFBWKNK-LBPRGKRZSA-N 0 3 287.816 2.071 10 0 CEAEHN Cc1nn(Cc2c(F)cccc2Cl)cc1CN ZINC000080052258 177603589 /nfs/dbraw/zinc/60/35/89/177603589.db2.gz PYEWUUYTYKMKQO-UHFFFAOYSA-N 0 3 253.708 2.491 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC2(CC2(F)F)CC1 ZINC000405165655 419402274 /nfs/dbraw/zinc/40/22/74/419402274.db2.gz LRLKMTMBDUJTEG-GFCCVEGCSA-N 0 3 277.355 2.285 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000135894608 419440740 /nfs/dbraw/zinc/44/07/40/419440740.db2.gz LDJGFJGPOPGCBW-KCJUWKMLSA-N 0 3 252.362 2.019 10 0 CEAEHN CC1(C)CCCN[C@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000232943715 270314353 /nfs/dbraw/zinc/31/43/53/270314353.db2.gz UIDCPZBPRYWRRQ-OCCSQVGLSA-N 0 3 274.364 2.015 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000392906070 270341636 /nfs/dbraw/zinc/34/16/36/270341636.db2.gz RNJPJHHULWDXAS-BXKDBHETSA-N 0 3 286.297 2.462 10 0 CEAEHN COc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1F ZINC000398961672 270364583 /nfs/dbraw/zinc/36/45/83/270364583.db2.gz VEUQKEGAJSKNTK-BFHYXJOUSA-N 0 3 279.355 2.427 10 0 CEAEHN c1ccc2nc(N3CCN4CCCC[C@H]4C3)cnc2c1 ZINC000106114987 275071926 /nfs/dbraw/zinc/07/19/26/275071926.db2.gz WGFIZHCQSJVRAK-ZDUSSCGKSA-N 0 3 268.364 2.304 10 0 CEAEHN CCC[C@@H](N[C@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180588564 276026003 /nfs/dbraw/zinc/02/60/03/276026003.db2.gz CWHNIJHCEMSWAY-GXTWGEPZSA-N 0 3 271.368 2.119 10 0 CEAEHN CCN1CCC[C@H](N[C@@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000040502961 276178960 /nfs/dbraw/zinc/17/89/60/276178960.db2.gz ABKWCHUZTNTEBF-DZGCQCFKSA-N 0 3 287.407 2.168 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1cc(Cl)cn1C)N(C)C ZINC000154042507 276268641 /nfs/dbraw/zinc/26/86/41/276268641.db2.gz QVUZCRWTTMVQIB-ZDUSSCGKSA-N 0 3 285.819 2.367 10 0 CEAEHN CCS[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000175873664 276397697 /nfs/dbraw/zinc/39/76/97/276397697.db2.gz DCQKQHKTNLHRCN-HZSPNIEDSA-N 0 3 299.484 2.396 10 0 CEAEHN COC(=O)[C@H](CC(C)C)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000351877212 277119158 /nfs/dbraw/zinc/11/91/58/277119158.db2.gz BCIKBAZGCWGILQ-DZKIICNBSA-N 0 3 283.412 2.201 10 0 CEAEHN CC(C)CC1(CNC(=O)C2(N)CCOCC2)CCCC1 ZINC000132282236 277348303 /nfs/dbraw/zinc/34/83/03/277348303.db2.gz AVGOHXWIHCUXGT-UHFFFAOYSA-N 0 3 282.428 2.217 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000184272923 278193473 /nfs/dbraw/zinc/19/34/73/278193473.db2.gz GXXJGUSMICQHFZ-HIFRSBDPSA-N 0 3 258.365 2.097 10 0 CEAEHN C[C@@H](C(=O)N[C@H]1COc2ccccc21)N1[C@H](C)CC[C@@H]1C ZINC000245202865 278213786 /nfs/dbraw/zinc/21/37/86/278213786.db2.gz WSMOGIXGNUZXPD-XFMPKHEZSA-N 0 3 288.391 2.498 10 0 CEAEHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1nc2ccccc2n1C ZINC000134239356 278275493 /nfs/dbraw/zinc/27/54/93/278275493.db2.gz FHNXAELKQXDSMM-QJPTWQEYSA-N 0 3 259.353 2.401 10 0 CEAEHN C[C@@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)N(C)Cc1ccccc1 ZINC000245988396 278280180 /nfs/dbraw/zinc/28/01/80/278280180.db2.gz HYWRTKJLCDOPMU-LZWOXQAQSA-N 0 3 290.407 2.191 10 0 CEAEHN C[C@@H]1CCN(C(=O)c2n[nH]c3c2CNCC3)c2ccccc21 ZINC000188389594 278539343 /nfs/dbraw/zinc/53/93/43/278539343.db2.gz AEVMRJDFXTVQCO-LLVKDONJSA-N 0 3 296.374 2.209 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000263534952 279059420 /nfs/dbraw/zinc/05/94/20/279059420.db2.gz YQQSGPNLYHEQRE-LMRVLLHPSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@H]2CCCC[C@H]2C)C1 ZINC000263534952 279059421 /nfs/dbraw/zinc/05/94/21/279059421.db2.gz YQQSGPNLYHEQRE-LMRVLLHPSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@H]2CCCC[C@H]2C)C1 ZINC000263534952 279059422 /nfs/dbraw/zinc/05/94/22/279059422.db2.gz YQQSGPNLYHEQRE-LMRVLLHPSA-N 0 3 282.428 2.340 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000263494094 279059690 /nfs/dbraw/zinc/05/96/90/279059690.db2.gz JGAYBKDRZDNQFL-JIPNABBHSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000263494094 279059691 /nfs/dbraw/zinc/05/96/91/279059691.db2.gz JGAYBKDRZDNQFL-JIPNABBHSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000263494094 279059692 /nfs/dbraw/zinc/05/96/92/279059692.db2.gz JGAYBKDRZDNQFL-JIPNABBHSA-N 0 3 282.428 2.338 10 0 CEAEHN CCOCCNC(=O)CN[C@H](C)c1ccc(CC)cc1 ZINC000175914152 279712058 /nfs/dbraw/zinc/71/20/58/279712058.db2.gz OOPJBGYJWSCQTQ-CYBMUJFWSA-N 0 3 278.396 2.052 10 0 CEAEHN C[C@H](CCN[C@@H](C)c1nccn1C)NC(=O)OC(C)(C)C ZINC000183202139 280112434 /nfs/dbraw/zinc/11/24/34/280112434.db2.gz OHOOLLAEDFFGLQ-NEPJUHHUSA-N 0 3 296.415 2.374 10 0 CEAEHN C[C@@H](NCC(=O)NC(N)=O)c1ccc(-c2ccccc2)cc1 ZINC000195345021 280202324 /nfs/dbraw/zinc/20/23/24/280202324.db2.gz WAKZEOFRQXKFIV-GFCCVEGCSA-N 0 3 297.358 2.199 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000245716515 280257955 /nfs/dbraw/zinc/25/79/55/280257955.db2.gz UENKAHDZUFMIIC-KCQAQPDRSA-N 0 3 299.459 2.218 10 0 CEAEHN CCC[C@@H](C)CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000245861802 280262937 /nfs/dbraw/zinc/26/29/37/280262937.db2.gz PAJXLGQJQLHWDH-UKRRQHHQSA-N 0 3 265.401 2.329 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCS[C@@H](C(C)C)C2)C1 ZINC000246110013 280274559 /nfs/dbraw/zinc/27/45/59/280274559.db2.gz HTLUWYBDFSBCPI-ZIAGYGMSSA-N 0 3 299.484 2.254 10 0 CEAEHN Cc1cccc([C@H](C)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000247477966 280330936 /nfs/dbraw/zinc/33/09/36/280330936.db2.gz JWASDLMCDKHBCM-PMPSAXMXSA-N 0 3 276.424 2.443 10 0 CEAEHN Cc1cc(C)c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)o1 ZINC000247524421 280332574 /nfs/dbraw/zinc/33/25/74/280332574.db2.gz ZITBSXHISPCVLU-YPMHNXCESA-N 0 3 264.369 2.355 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1Cl ZINC000128350827 280336170 /nfs/dbraw/zinc/33/61/70/280336170.db2.gz ILBUXVVXLJMCJI-LBPRGKRZSA-N 0 3 266.772 2.425 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)C[C@H](C)c1nccs1 ZINC000248652702 280357397 /nfs/dbraw/zinc/35/73/97/280357397.db2.gz OAMBNHUFJYJJMD-STQMWFEESA-N 0 3 286.441 2.356 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000249113544 280384979 /nfs/dbraw/zinc/38/49/79/280384979.db2.gz RVNMIJULBXMGLJ-ILXRZTDVSA-N 0 3 279.428 2.445 10 0 CEAEHN CCC[C@@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000249279098 280390736 /nfs/dbraw/zinc/39/07/36/280390736.db2.gz MVUSFVVUIFWPMF-ZIAGYGMSSA-N 0 3 251.374 2.081 10 0 CEAEHN CC1(C)CCCN[C@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000232913144 280997271 /nfs/dbraw/zinc/99/72/71/280997271.db2.gz YVURYVWUEOFXOG-AWEZNQCLSA-N 0 3 264.413 2.413 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccnc1Cl ZINC000175039109 288311337 /nfs/dbraw/zinc/31/13/37/288311337.db2.gz WCNBSOAXEPHFFJ-NWDGAFQWSA-N 0 3 293.798 2.434 10 0 CEAEHN Cc1nc(CC(C)C)c(C(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000151427375 289057521 /nfs/dbraw/zinc/05/75/21/289057521.db2.gz KJZGQLLWEZSOSF-LBPRGKRZSA-N 0 3 295.452 2.426 10 0 CEAEHN CC(C)N1CCCC[C@@H]1C(=O)N1CCCSCC1 ZINC000155800382 289183096 /nfs/dbraw/zinc/18/30/96/289183096.db2.gz QIORLSXBQVTPOV-CYBMUJFWSA-N 0 3 270.442 2.215 10 0 CEAEHN Oc1ccc(Br)c(CNCC2CC(O)C2)c1 ZINC000315030935 289284258 /nfs/dbraw/zinc/28/42/58/289284258.db2.gz NRSCQFVENHCEGT-UHFFFAOYSA-N 0 3 286.169 2.015 10 0 CEAEHN CC(C)c1nccnc1NCCN1CCCCCC1 ZINC000472352008 290295629 /nfs/dbraw/zinc/29/56/29/290295629.db2.gz SEEOIEHUQMSZGG-UHFFFAOYSA-N 0 3 262.401 2.310 10 0 CEAEHN C[C@H]1CC(NC(=O)N2CCN3CCC[C@H]3C2)C[C@H](C)C1 ZINC000246757499 290346174 /nfs/dbraw/zinc/34/61/74/290346174.db2.gz AGFMSQULQKPGBP-NFAWXSAZSA-N 0 3 279.428 2.301 10 0 CEAEHN [NH3+][C@H]1CC=c2ccccc2=C1c1c([O-])ccc2ccccc21 ZINC000095936538 295332983 /nfs/dbraw/zinc/33/29/83/295332983.db2.gz PREUNDZVJSEWMZ-KRWDZBQOSA-N 0 3 287.362 2.256 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCCC[C@H]1O)CCO2 ZINC000565238921 298890607 /nfs/dbraw/zinc/89/06/07/298890607.db2.gz SUYLRSXYFLOTAX-RRFJBIMHSA-N 0 3 277.364 2.412 10 0 CEAEHN Cc1cccc([C@@H](C)N2CCO[C@H](CN(C)C)C2)c1 ZINC000173701236 302019866 /nfs/dbraw/zinc/01/98/66/302019866.db2.gz ZDEXUDHZQRPTTP-GDBMZVCRSA-N 0 3 262.397 2.318 10 0 CEAEHN CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CCN1 ZINC000175390592 312698274 /nfs/dbraw/zinc/69/82/74/312698274.db2.gz DREPPFAHMNGHPC-NWDGAFQWSA-N 0 3 294.345 2.279 10 0 CEAEHN CCC[C@H](C)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000180101261 312762283 /nfs/dbraw/zinc/76/22/83/312762283.db2.gz DTNDFYPTXPGTNZ-QWHCGFSZSA-N 0 3 280.416 2.493 10 0 CEAEHN CO[C@](C)(CNCc1cnn(C)c1C)c1ccccc1 ZINC000384325527 321852015 /nfs/dbraw/zinc/85/20/15/321852015.db2.gz RJZFVYKRRSBZAM-MRXNPFEDSA-N 0 3 273.380 2.380 10 0 CEAEHN CCCN1CCN(C[C@H]2C[C@@H](C)CCC2=O)CC1 ZINC000053924788 519858531 /nfs/dbraw/zinc/85/85/31/519858531.db2.gz OPWFAOFJNZBPKI-UONOGXRCSA-N 0 3 252.402 2.019 10 0 CEAEHN CCCC1CCN(c2c(CNC)c(C)nn2C)CC1 ZINC000050894325 519903520 /nfs/dbraw/zinc/90/35/20/519903520.db2.gz FHTBVUFNALGLTE-UHFFFAOYSA-N 0 3 264.417 2.464 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(F)c(F)c1F ZINC000061286971 519906409 /nfs/dbraw/zinc/90/64/09/519906409.db2.gz ULXYIFVEWYANBB-UHFFFAOYSA-N 0 3 260.259 2.431 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OC[C@@H](C)C(N)=O ZINC000062747430 519988250 /nfs/dbraw/zinc/98/82/50/519988250.db2.gz FWEGZIVBEZOGEJ-MNOVXSKESA-N 0 3 282.359 2.387 10 0 CEAEHN CCNCc1cc(CN2CCOCC2(C)C)oc1C ZINC000052546086 519991338 /nfs/dbraw/zinc/99/13/38/519991338.db2.gz VBSCIYWNXJQJIC-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCN[C@H](C)c1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000062365944 520067808 /nfs/dbraw/zinc/06/78/08/520067808.db2.gz FFFRMQHDOGRDGD-SECBINFHSA-N 0 3 281.381 2.027 10 0 CEAEHN CCC[C@H](C)N(C)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069100239 521037098 /nfs/dbraw/zinc/03/70/98/521037098.db2.gz FCSOCCNBQNDOKG-XJKSGUPXSA-N 0 3 284.444 2.428 10 0 CEAEHN CCN(CCOC)Cc1cc(CNC(C)C)co1 ZINC000052542741 521135042 /nfs/dbraw/zinc/13/50/42/521135042.db2.gz XNKYPSFFWYEQCO-UHFFFAOYSA-N 0 3 254.374 2.246 10 0 CEAEHN CCN(CC[C@@H](NC(C)C)C(N)=O)c1ccc(C)cc1 ZINC000062529112 521154698 /nfs/dbraw/zinc/15/46/98/521154698.db2.gz UMTQFMIPBCKRHL-OAHLLOKOSA-N 0 3 277.412 2.063 10 0 CEAEHN CCOC(=O)[C@](CN1CCC[C@@H]1C)(NC(C)C)C1CC1 ZINC000069088651 521340434 /nfs/dbraw/zinc/34/04/34/521340434.db2.gz ILXYVJUQTHDKFC-XJKSGUPXSA-N 0 3 282.428 2.181 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(C(N)=S)cc2)CC1 ZINC000055080604 522135276 /nfs/dbraw/zinc/13/52/76/522135276.db2.gz XNSASPVTUNQKPU-GFCCVEGCSA-N 0 3 277.437 2.241 10 0 CEAEHN CNCc1oc(CN2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000052540408 522159443 /nfs/dbraw/zinc/15/94/43/522159443.db2.gz GJEUWHSGOWJSLP-UONOGXRCSA-N 0 3 264.369 2.061 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCC(=O)NC(C)C ZINC000062746597 522330918 /nfs/dbraw/zinc/33/09/18/522330918.db2.gz ZUPZBVRBLVPBMI-JTQLQIEISA-N 0 3 268.332 2.010 10 0 CEAEHN CN[C@](C)(C[C@H](C)Oc1ccc(C(C)C)cc1)C(N)=O ZINC000068655288 522522620 /nfs/dbraw/zinc/52/26/20/522522620.db2.gz HOXZNXNVMBVHKR-BLLLJJGKSA-N 0 3 278.396 2.431 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N)cn1C(C)C ZINC000049550988 519338851 /nfs/dbraw/zinc/33/88/51/519338851.db2.gz LBDXFMZVVWZLAJ-CQSZACIVSA-N 0 3 294.443 2.357 10 0 CEAEHN CC(C)C[C@H](N[C@@H](C)Cc1ccco1)C(=O)N(C)C ZINC000062769975 519398067 /nfs/dbraw/zinc/39/80/67/519398067.db2.gz QBOBWBKMXUHFNF-JSGCOSHPSA-N 0 3 266.385 2.303 10 0 CEAEHN CC(C)NC(=O)[C@@H](CN)Cc1ccc(C(F)(F)F)cc1 ZINC000050304257 519714206 /nfs/dbraw/zinc/71/42/06/519714206.db2.gz BHWMMEFQLXQTJB-LLVKDONJSA-N 0 3 288.313 2.347 10 0 CEAEHN CC(C)CN1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000055080838 519728494 /nfs/dbraw/zinc/72/84/94/519728494.db2.gz NLOYSWIVXNNSEF-ULQDDVLXSA-N 0 3 282.472 2.446 10 0 CEAEHN CC(C)NCc1occc1COC1CCOCC1 ZINC000052597165 519730169 /nfs/dbraw/zinc/73/01/69/519730169.db2.gz JUTQIVXAZAZRSK-UHFFFAOYSA-N 0 3 253.342 2.473 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NCC(=O)Nc1ccccc1F ZINC000049555994 519775717 /nfs/dbraw/zinc/77/57/17/519775717.db2.gz KOFSNVSXBGMBDW-ZDUSSCGKSA-N 0 3 295.402 2.330 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](O)[C@H](N2CCOC(C)(C)C2)C1 ZINC000054558291 519803318 /nfs/dbraw/zinc/80/33/18/519803318.db2.gz XMGMPRBINHCYFX-MGPQQGTHSA-N 0 3 255.402 2.283 10 0 CEAEHN CCC1CC[NH+]([C@@H](C)C[C@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000068638250 519859441 /nfs/dbraw/zinc/85/94/41/519859441.db2.gz OQBIBDMGWHNFAI-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN CCC1CCN([C@@H](C)C[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000068638250 519859442 /nfs/dbraw/zinc/85/94/42/519859442.db2.gz OQBIBDMGWHNFAI-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000061286874 519907594 /nfs/dbraw/zinc/90/75/94/519907594.db2.gz OGBDMMNLQISVJH-UHFFFAOYSA-N 0 3 278.352 2.175 10 0 CEAEHN CCCNCc1ccc(-n2ccc(C3CC3)n2)nn1 ZINC000052885258 519948018 /nfs/dbraw/zinc/94/80/18/519948018.db2.gz APCCRHFKAUNYHD-UHFFFAOYSA-N 0 3 257.341 2.039 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OCCC(N)=O ZINC000062747238 519988941 /nfs/dbraw/zinc/98/89/41/519988941.db2.gz BMIIIXATVTWNSD-JTQLQIEISA-N 0 3 268.332 2.141 10 0 CEAEHN CCNCc1cnc(OCCCOC)c(Cl)c1 ZINC000051522337 520018595 /nfs/dbraw/zinc/01/85/95/520018595.db2.gz FFXLVMWUTNDDBF-UHFFFAOYSA-N 0 3 258.749 2.260 10 0 CEAEHN CCCN[C@@](CN(C)CCC)(C(=O)OCC)C1CC1 ZINC000069096903 520050706 /nfs/dbraw/zinc/05/07/06/520050706.db2.gz DRAVSGULXVQVKE-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@@](CN1CCCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069093705 520052227 /nfs/dbraw/zinc/05/22/27/520052227.db2.gz LNRYFFIEBAXMJM-XJKSGUPXSA-N 0 3 282.428 2.182 10 0 CEAEHN CCC[NH2+][C@H](CCN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443517 520076196 /nfs/dbraw/zinc/07/61/96/520076196.db2.gz WPQQQQKNYFKJOB-FRRDWIJNSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN[C@H](CCN1CCC(CCC)CC1)C(=O)OC ZINC000062531166 520073960 /nfs/dbraw/zinc/07/39/60/520073960.db2.gz YENGEPHPYUBCPZ-OAHLLOKOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2CCOCC2(C)C)s1 ZINC000054909182 520079431 /nfs/dbraw/zinc/07/94/31/520079431.db2.gz SULUEWVVHMYEST-JTQLQIEISA-N 0 3 269.414 2.429 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900572 520080674 /nfs/dbraw/zinc/08/06/74/520080674.db2.gz DKRZKOKZVWAHSD-AXFHLTTASA-N 0 3 269.414 2.427 10 0 CEAEHN CCN[C@@H](Cc1ccc(OC)cc1)c1cnccn1 ZINC000069499713 520103413 /nfs/dbraw/zinc/10/34/13/520103413.db2.gz RXJXKSQTPVBGRN-AWEZNQCLSA-N 0 3 257.337 2.379 10 0 CEAEHN CCCNc1ccc(C(=O)N[C@H](CN(C)C)C(C)C)cn1 ZINC000050779703 520151024 /nfs/dbraw/zinc/15/10/24/520151024.db2.gz HBMOMJMGQNECKC-CQSZACIVSA-N 0 3 292.427 2.220 10 0 CEAEHN CCN[C@@](CSc1cccc(OC)c1)(C(N)=O)C1CC1 ZINC000069186427 520158927 /nfs/dbraw/zinc/15/89/27/520158927.db2.gz MYTOMNOBWHMBCS-OAHLLOKOSA-N 0 3 294.420 2.031 10 0 CEAEHN CCCNc1ccc(Cl)c(C(=O)NC[C@H](C)N(C)C)n1 ZINC000050779986 520162073 /nfs/dbraw/zinc/16/20/73/520162073.db2.gz FYQASBRHXLDYKT-JTQLQIEISA-N 0 3 298.818 2.237 10 0 CEAEHN CCOC[C@H](O)COc1ccc(Cl)cc1[C@H](C)NC ZINC000069275805 520163916 /nfs/dbraw/zinc/16/39/16/520163916.db2.gz RVRKBAYDCGAVHU-JQWIXIFHSA-N 0 3 287.787 2.397 10 0 CEAEHN CCCNc1ncccc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000061655991 520192446 /nfs/dbraw/zinc/19/24/46/520192446.db2.gz BEZHKUGEGJMRHN-CYBMUJFWSA-N 0 3 290.411 2.070 10 0 CEAEHN CCN[C@H]1CCN([C@H](C)c2sc(C)nc2C)C1=O ZINC000049660101 520216252 /nfs/dbraw/zinc/21/62/52/520216252.db2.gz MZUSVKIAEUYHHW-KOLCDFICSA-N 0 3 267.398 2.031 10 0 CEAEHN CCN[C@H]1COc2cc(O[C@@H](C)C(=O)OCC)ccc21 ZINC000062804636 520221258 /nfs/dbraw/zinc/22/12/58/520221258.db2.gz SNSKZJSMIUCPPH-GWCFXTLKSA-N 0 3 279.336 2.060 10 0 CEAEHN CCNc1cc(CN2CCCC[C@H]2CCO)ccn1 ZINC000052717202 520272475 /nfs/dbraw/zinc/27/24/75/520272475.db2.gz LBFYKUGFIDZFDD-AWEZNQCLSA-N 0 3 263.385 2.250 10 0 CEAEHN CCO[C@@H]1CCCN(c2ncc([C@@H](C)N)s2)C1 ZINC000054898729 520322305 /nfs/dbraw/zinc/32/23/05/520322305.db2.gz LYSSHEZKUPUPAB-NXEZZACHSA-N 0 3 255.387 2.168 10 0 CEAEHN CCN(CC(=O)Nc1ccc(F)cc1N)CC1CC1 ZINC000069236911 520359704 /nfs/dbraw/zinc/35/97/04/520359704.db2.gz UROHLRWVAVBCQD-UHFFFAOYSA-N 0 3 265.332 2.078 10 0 CEAEHN CCNc1ncccc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000050777052 520374140 /nfs/dbraw/zinc/37/41/40/520374140.db2.gz BJRBJBKGCQKKNB-ZDUSSCGKSA-N 0 3 292.427 2.220 10 0 CEAEHN CCCOc1ccc([C@H](CO)NCCN(CC)CC)cc1 ZINC000052920626 520428877 /nfs/dbraw/zinc/42/88/77/520428877.db2.gz URYKPSMDVIVCQI-KRWDZBQOSA-N 0 3 294.439 2.440 10 0 CEAEHN CCCOc1cccc([C@@H](CO)NCCN(CC)CC)c1 ZINC000052921989 520464292 /nfs/dbraw/zinc/46/42/92/520464292.db2.gz QKBXXQPRYCPWAA-QGZVFWFLSA-N 0 3 294.439 2.440 10 0 CEAEHN CCN(CC)C(=O)[C@H](CN)Cc1ccc(F)cc1C ZINC000050568826 520536195 /nfs/dbraw/zinc/53/61/95/520536195.db2.gz OIBABMJQUPJFAD-ZDUSSCGKSA-N 0 3 266.360 2.120 10 0 CEAEHN CCC[C@@H](O)[C@@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055069597 520809539 /nfs/dbraw/zinc/80/95/39/520809539.db2.gz GYQGKPKBUFRFNE-RRFJBIMHSA-N 0 3 256.434 2.342 10 0 CEAEHN CC1CCC([N@H+](C)CC[C@H](NC2CC2)C(=O)[O-])CC1 ZINC000062525132 520935195 /nfs/dbraw/zinc/93/51/95/520935195.db2.gz BIWLNAFMTVBILF-UBHUBRDASA-N 0 3 268.401 2.092 10 0 CEAEHN CC1CCC([N@@H+](C)CC[C@H](NC2CC2)C(=O)[O-])CC1 ZINC000062525132 520935200 /nfs/dbraw/zinc/93/52/00/520935200.db2.gz BIWLNAFMTVBILF-UBHUBRDASA-N 0 3 268.401 2.092 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](C)c1nccs1)N(C)C ZINC000183508624 520980031 /nfs/dbraw/zinc/98/00/31/520980031.db2.gz RCZRMVIQPFBWDJ-WDEREUQCSA-N 0 3 269.414 2.093 10 0 CEAEHN CCCC[C@@H](CC)COCC[C@@](C)(NC)C(N)=O ZINC000045474509 521037436 /nfs/dbraw/zinc/03/74/36/521037436.db2.gz VVCHOWXAWFIUEQ-TZMCWYRMSA-N 0 3 258.406 2.073 10 0 CEAEHN CCCC[C@H](CC)COCC[C@H](NCC)C(N)=O ZINC000062543020 521180180 /nfs/dbraw/zinc/18/01/80/521180180.db2.gz OLVSGHFWKXGMFT-STQMWFEESA-N 0 3 258.406 2.073 10 0 CEAEHN CCOC(=O)[C@](CN(C)CC1CCC1)(NC(C)C)C1CC1 ZINC000069231906 521337487 /nfs/dbraw/zinc/33/74/87/521337487.db2.gz CPDFQRWTSBQRKJ-QGZVFWFLSA-N 0 3 296.455 2.428 10 0 CEAEHN CCOc1cccc(CNC(C)(C)C)c1OCCC(N)=O ZINC000062732681 521360339 /nfs/dbraw/zinc/36/03/39/521360339.db2.gz RRYYUWBXFFFSJU-UHFFFAOYSA-N 0 3 294.395 2.228 10 0 CEAEHN CCN1C(=O)C[C@@H](N)[C@H]1c1ccc2ccccc2c1 ZINC000070293275 521522622 /nfs/dbraw/zinc/52/26/22/521522622.db2.gz MVYDINFBUWENBD-GDBMZVCRSA-N 0 3 254.333 2.460 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccccn2)C1 ZINC000068587669 521644746 /nfs/dbraw/zinc/64/47/46/521644746.db2.gz XDINIMKYHOMRQB-KBPBESRZSA-N 0 3 290.411 2.268 10 0 CEAEHN CN(C)CCOc1nc(Cl)nc2ccccc21 ZINC000052811390 521805379 /nfs/dbraw/zinc/80/53/79/521805379.db2.gz AHUZSBZLHDCDDV-UHFFFAOYSA-N 0 3 251.717 2.224 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000061300125 521940684 /nfs/dbraw/zinc/94/06/84/521940684.db2.gz OIQPATMOVVNFMC-UHFFFAOYSA-N 0 3 286.759 2.294 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000061300910 521941106 /nfs/dbraw/zinc/94/11/06/521941106.db2.gz SZHZRIXXXSVVQF-UHFFFAOYSA-N 0 3 286.759 2.294 10 0 CEAEHN COCCc1ccc(OCc2ccnc(C(=N)N)c2)cc1 ZINC000068762551 522011321 /nfs/dbraw/zinc/01/13/21/522011321.db2.gz MLRXENDVFLICCE-UHFFFAOYSA-N 0 3 285.347 2.134 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1cc(CN)oc1C ZINC000052547355 522093442 /nfs/dbraw/zinc/09/34/42/522093442.db2.gz MRXHGHBQNSGLKY-LLVKDONJSA-N 0 3 254.374 2.294 10 0 CEAEHN CNCc1cc(CN(C)C2CCC(C)CC2)on1 ZINC000052345389 522102360 /nfs/dbraw/zinc/10/23/60/522102360.db2.gz JESRZDIHIMIJIK-UHFFFAOYSA-N 0 3 251.374 2.405 10 0 CEAEHN CNCc1cc(CN2CCO[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000052540362 522108665 /nfs/dbraw/zinc/10/86/65/522108665.db2.gz YSZQNWXSWIYEHQ-LSDHHAIUSA-N 0 3 264.369 2.061 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2cc(CO)ccc2OC)CC1 ZINC000055069528 522126684 /nfs/dbraw/zinc/12/66/84/522126684.db2.gz DZBUCHVXXSBZAL-CQSZACIVSA-N 0 3 292.423 2.104 10 0 CEAEHN CNCc1cnc(-n2nnc3ccccc32)c(Cl)c1 ZINC000051491851 522146779 /nfs/dbraw/zinc/14/67/79/522146779.db2.gz PFXNEBZWTWZXKI-UHFFFAOYSA-N 0 3 273.727 2.188 10 0 CEAEHN CN(C)c1cccc(OCc2ccnc(C(=N)N)c2)c1 ZINC000068762656 522281952 /nfs/dbraw/zinc/28/19/52/522281952.db2.gz NEHFRQOLCXLHFU-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN CC[C@@H](C)[C@@H](C)NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051112891 522296717 /nfs/dbraw/zinc/29/67/17/522296717.db2.gz WSDCDJMVKLHXLW-HTQZYQBOSA-N 0 3 270.764 2.185 10 0 CEAEHN CN[C@@H](CN1CCN(C)C1=O)c1ccc(C(C)C)cc1 ZINC000052885598 522354438 /nfs/dbraw/zinc/35/44/38/522354438.db2.gz YVYOAXBVAJSVSR-HNNXBMFYSA-N 0 3 275.396 2.438 10 0 CEAEHN CN[C@@H]1COc2cc(O[C@H]3CCCC[C@@H]3O)ccc21 ZINC000062804291 522401558 /nfs/dbraw/zinc/40/15/58/522401558.db2.gz QLDCCDQGOIJWLY-RDBSUJKOSA-N 0 3 263.337 2.022 10 0 CEAEHN CNc1ccc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc1 ZINC000050777074 522593532 /nfs/dbraw/zinc/59/35/32/522593532.db2.gz WERSGHNEGJELON-HNNXBMFYSA-N 0 3 277.412 2.434 10 0 CEAEHN COC[C@H](C)N(C)c1ccnc(CNC(C)(C)C)c1 ZINC000051482834 522597696 /nfs/dbraw/zinc/59/76/96/522597696.db2.gz NBESAQFDMHHZSJ-LBPRGKRZSA-N 0 3 265.401 2.441 10 0 CEAEHN CNc1ccc(CN2CCN(C(C)(C)C)CC2)cn1 ZINC000050817372 522610974 /nfs/dbraw/zinc/61/09/74/522610974.db2.gz FCYXKSVBBYLDCF-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN COc1cc([C@H](O)[C@H](N)c2ccccc2)ccc1O ZINC000054681652 522951134 /nfs/dbraw/zinc/95/11/34/522951134.db2.gz PTDDSWKGFXSPGZ-CABCVRRESA-N 0 3 259.305 2.134 10 0 CEAEHN CC[C@@H](Oc1ccc(Cl)cc1[C@H](C)N)C(N)=O ZINC000061676043 523042845 /nfs/dbraw/zinc/04/28/45/523042845.db2.gz KCPNGWWYHXMWIS-OIBJUYFYSA-N 0 3 256.733 2.002 10 0 CEAEHN CN(C[C@@H]1CCCO1)c1cc(Cl)ccc1CN ZINC000062786903 523054573 /nfs/dbraw/zinc/05/45/73/523054573.db2.gz UJPHMKPXWKTHFW-LBPRGKRZSA-N 0 3 254.761 2.414 10 0 CEAEHN COCc1cccc(OCc2cccnc2CN)c1 ZINC000070094972 523083297 /nfs/dbraw/zinc/08/32/97/523083297.db2.gz BMVYSMBXDYKTKA-UHFFFAOYSA-N 0 3 258.321 2.266 10 0 CEAEHN COCCCN(C)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062711823 523231451 /nfs/dbraw/zinc/23/14/51/523231451.db2.gz GVJCMDFWZCBTDC-LBPRGKRZSA-N 0 3 276.302 2.072 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1nccn1CC ZINC000374210180 523312313 /nfs/dbraw/zinc/31/23/13/523312313.db2.gz TYWKVTUPERMVMB-LSDHHAIUSA-N 0 3 276.428 2.352 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1Cc1cc(C)c(CN)o1 ZINC000052571054 523342964 /nfs/dbraw/zinc/34/29/64/523342964.db2.gz ZUZDWXQIIPBKFR-RYUDHWBXSA-N 0 3 252.358 2.046 10 0 CEAEHN CN(Cc1ccccc1F)c1ccnc(C(=N)N)c1 ZINC000061814168 523372477 /nfs/dbraw/zinc/37/24/77/523372477.db2.gz IUPJJJMPLQQJNT-UHFFFAOYSA-N 0 3 258.300 2.141 10 0 CEAEHN CC[C@@H]1COCCN1c1ncc(CNC2CC2)s1 ZINC000054904675 523504020 /nfs/dbraw/zinc/50/40/20/523504020.db2.gz GKEMLXIUVODYFN-LLVKDONJSA-N 0 3 267.398 2.010 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1Cc1cc(CN)c(C)o1 ZINC000052570957 523517519 /nfs/dbraw/zinc/51/75/19/523517519.db2.gz WEAPWMZFXXWEQD-ZWNOBZJWSA-N 0 3 252.358 2.046 10 0 CEAEHN CCn1ccnc1COc1ccc2c(c1)OC[C@H]2NC ZINC000062804250 523542455 /nfs/dbraw/zinc/54/24/55/523542455.db2.gz JSAYQFVZXITBIT-CYBMUJFWSA-N 0 3 273.336 2.135 10 0 CEAEHN CCn1ccnc1[C@H](Cc1ccc(OC)c(OC)c1)NC ZINC000069497819 523556549 /nfs/dbraw/zinc/55/65/49/523556549.db2.gz FZFQMNVQEWJLKP-ZDUSSCGKSA-N 0 3 289.379 2.423 10 0 CEAEHN COCCN(CCOC)Cc1occc1CNC(C)(C)C ZINC000052571389 523721787 /nfs/dbraw/zinc/72/17/87/523721787.db2.gz BJLNXWOAQVXQQQ-UHFFFAOYSA-N 0 3 298.427 2.263 10 0 CEAEHN COCCN(CCOC)[C@H](CN)c1cc2ccccc2o1 ZINC000068811301 523723963 /nfs/dbraw/zinc/72/39/63/523723963.db2.gz BXWCHDRGSFJNJL-CQSZACIVSA-N 0 3 292.379 2.027 10 0 CEAEHN CCn1nccc1[C@@H](N)Cc1ccc(OC)c(OC)c1 ZINC000069471294 523745405 /nfs/dbraw/zinc/74/54/05/523745405.db2.gz LPTQRJHQERCDRU-LBPRGKRZSA-N 0 3 275.352 2.163 10 0 CEAEHN CC[C@H](C(=O)N1[C@@H](C)CNC[C@@H]1C)c1ccccc1 ZINC000069132833 523769283 /nfs/dbraw/zinc/76/92/83/523769283.db2.gz YQJHKCNZDMCFDB-YDHLFZDLSA-N 0 3 260.381 2.389 10 0 CEAEHN COC(=O)[C@@](C)(CCN1CCCC(C)(C)C1)NC1CC1 ZINC000069516757 523815567 /nfs/dbraw/zinc/81/55/67/523815567.db2.gz ZWEKOMWBSPWSLF-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN COc1ccc(C)cc1[C@@H](N)c1ccc2[nH]c(=O)oc2c1 ZINC000052943500 523855463 /nfs/dbraw/zinc/85/54/63/523855463.db2.gz CQIZFSLINQRJMS-HNNXBMFYSA-N 0 3 284.315 2.486 10 0 CEAEHN COCCNCc1ccc(-n2cc(C)cn2)cc1C ZINC000062738658 523952115 /nfs/dbraw/zinc/95/21/15/523952115.db2.gz DEYFUUZTZGHKSU-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN COCCNCc1cc2ccccc2nc1-n1cccn1 ZINC000062738505 523952131 /nfs/dbraw/zinc/95/21/31/523952131.db2.gz SVIJQJCQXSXGHK-UHFFFAOYSA-N 0 3 282.347 2.157 10 0 CEAEHN CC[C@H](C)NC(=O)COc1cc(F)ccc1[C@@H](C)N ZINC000062745907 523974078 /nfs/dbraw/zinc/97/40/78/523974078.db2.gz YRXICYFNJXOIFJ-VHSXEESVSA-N 0 3 268.332 2.139 10 0 CEAEHN C[C@@H]1CCCCN1C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051095400 524094202 /nfs/dbraw/zinc/09/42/02/524094202.db2.gz BLLYSUKGKVFJJG-MRVPVSSYSA-N 0 3 268.748 2.035 10 0 CEAEHN Cc1cccc(C(=O)N[C@H](C)CN2CCCCC2)c1N ZINC000049500442 524210080 /nfs/dbraw/zinc/21/00/80/524210080.db2.gz ATBBPHPMVLZVBB-CYBMUJFWSA-N 0 3 275.396 2.181 10 0 CEAEHN COc1ccccc1C[C@H](C)NCc1ccncn1 ZINC000054789655 524510297 /nfs/dbraw/zinc/51/02/97/524510297.db2.gz COMIZMJBCRXGRI-LBPRGKRZSA-N 0 3 257.337 2.206 10 0 CEAEHN Cc1ccc(C[C@H](CN)C(=O)N2CCCC2)c(C)c1 ZINC000050304817 524683324 /nfs/dbraw/zinc/68/33/24/524683324.db2.gz SDVRMIPVOGYGBE-OAHLLOKOSA-N 0 3 260.381 2.043 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ncc(Cl)n1C ZINC000375791283 524684508 /nfs/dbraw/zinc/68/45/08/524684508.db2.gz LSSAIZUYCQPKML-NWDGAFQWSA-N 0 3 282.819 2.132 10 0 CEAEHN COc1ccccc1O[C@H](C)C[C@](C)(NC(C)C)C(N)=O ZINC000068656618 524691863 /nfs/dbraw/zinc/69/18/63/524691863.db2.gz ACVYOLACYONBGH-WBMJQRKESA-N 0 3 294.395 2.095 10 0 CEAEHN C[C@@H](N)c1cnc(N2CCN(c3ccccc3)CC2)s1 ZINC000054864484 525032565 /nfs/dbraw/zinc/03/25/65/525032565.db2.gz SAGJFMSXPUBHIL-GFCCVEGCSA-N 0 3 288.420 2.489 10 0 CEAEHN COc1ncccc1C(=O)Nc1ccccc1[C@@H](C)N ZINC000061442721 525042334 /nfs/dbraw/zinc/04/23/34/525042334.db2.gz XAPRVNNUAZTHCW-SNVBAGLBSA-N 0 3 271.320 2.362 10 0 CEAEHN Cc1cc(N2CCN(C(C)(C)C)CC2)nc(Cl)n1 ZINC000052814526 525077377 /nfs/dbraw/zinc/07/73/77/525077377.db2.gz AVIVSTSJEBKEHL-UHFFFAOYSA-N 0 3 268.792 2.359 10 0 CEAEHN C[C@@H]1COCCN1Cc1occc1CNC(C)(C)C ZINC000052475797 525130154 /nfs/dbraw/zinc/13/01/54/525130154.db2.gz BCYJGAADOWRQHR-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN C[C@@H](NC(=O)[C@H](CN)c1ccccc1)c1ccncc1 ZINC000061611310 525288168 /nfs/dbraw/zinc/28/81/68/525288168.db2.gz RMKYDVWCQUDBST-IUODEOHRSA-N 0 3 269.348 2.001 10 0 CEAEHN Cc1cc(N[C@@H](CN(C)C)C(C)C)nc(Cl)n1 ZINC000052814632 525295122 /nfs/dbraw/zinc/29/51/22/525295122.db2.gz KCDRRKRKNUEOGA-JTQLQIEISA-N 0 3 256.781 2.437 10 0 CEAEHN C[C@]1(N[C@@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000061326115 525302048 /nfs/dbraw/zinc/30/20/48/525302048.db2.gz PIVHIYDMNQPYEB-YPMHNXCESA-N 0 3 285.434 2.292 10 0 CEAEHN Cc1ccccc1O[C@@H](C)C[C@@](C)(NC(C)C)C(N)=O ZINC000068656368 525320963 /nfs/dbraw/zinc/32/09/63/525320963.db2.gz RSEQDBYOVFERSA-XJKSGUPXSA-N 0 3 278.396 2.394 10 0 CEAEHN COc1ccc([C@H](N)c2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000061668796 525363868 /nfs/dbraw/zinc/36/38/68/525363868.db2.gz WMUBZVFMHPYZPK-AWEZNQCLSA-N 0 3 287.294 2.052 10 0 CEAEHN Cc1cc(OCCn2cc(CN)nn2)cc(C)c1Cl ZINC000052700078 525372514 /nfs/dbraw/zinc/37/25/14/525372514.db2.gz OQEIRODQKLENKI-UHFFFAOYSA-N 0 3 280.759 2.086 10 0 CEAEHN Cc1ccc(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)cc1 ZINC000068653504 525462407 /nfs/dbraw/zinc/46/24/07/525462407.db2.gz BIVJDVVDULJDRB-BLLLJJGKSA-N 0 3 276.380 2.148 10 0 CEAEHN Cc1cc([C@@H](CN)N(C)C[C@@H]2CCCO2)ccc1F ZINC000050546296 525481176 /nfs/dbraw/zinc/48/11/76/525481176.db2.gz BXBDOGMSOHOSTA-DZGCQCFKSA-N 0 3 266.360 2.245 10 0 CEAEHN CSCCCN[C@@H](C)C(=O)Nc1ccccc1 ZINC000069447149 525482013 /nfs/dbraw/zinc/48/20/13/525482013.db2.gz MZLORZWZPAQHTB-NSHDSACASA-N 0 3 252.383 2.356 10 0 CEAEHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1cccnc1 ZINC000181420457 525590682 /nfs/dbraw/zinc/59/06/82/525590682.db2.gz ITAUSKGGBSVNRG-XZJROXQQSA-N 0 3 254.333 2.391 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@@](C)(N)C2CC2)s1 ZINC000049185492 525712073 /nfs/dbraw/zinc/71/20/73/525712073.db2.gz CGNJQNKMHQMHQX-RNCFNFMXSA-N 0 3 252.383 2.361 10 0 CEAEHN C[C@@](N)(c1ccc(Br)cc1)c1cncnc1 ZINC000052887679 525751311 /nfs/dbraw/zinc/75/13/11/525751311.db2.gz RGXVOQNMRSPWQQ-GFCCVEGCSA-N 0 3 278.153 2.461 10 0 CEAEHN Cc1c(N2CCNCC2)n[nH]c1-c1ccc(C)cc1 ZINC000062670068 525823470 /nfs/dbraw/zinc/82/34/70/525823470.db2.gz SAOXLDYRHXFJSU-UHFFFAOYSA-N 0 3 256.353 2.103 10 0 CEAEHN Cc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)cc1O ZINC000049560316 526210920 /nfs/dbraw/zinc/21/09/20/526210920.db2.gz WJOBGBWFQHYTKH-CQSZACIVSA-N 0 3 278.396 2.407 10 0 CEAEHN Cc1ccc2nc(CN3CCC[C@@H]3CCCO)cn2c1 ZINC000052763067 526246906 /nfs/dbraw/zinc/24/69/06/526246906.db2.gz QBWRDRKCYXZJNH-OAHLLOKOSA-N 0 3 273.380 2.380 10 0 CEAEHN O[C@H](CNCc1cc2c(s1)CCC2)C(F)(F)F ZINC000068879447 526277265 /nfs/dbraw/zinc/27/72/65/526277265.db2.gz SOOGJLYXWNBWLO-SNVBAGLBSA-N 0 3 265.300 2.250 10 0 CEAEHN Fc1cc(F)cc(Cc2noc([C@H]3CCCN3)n2)c1 ZINC000049347994 526307455 /nfs/dbraw/zinc/30/74/55/526307455.db2.gz IRVCWSRZQCZPEI-LLVKDONJSA-N 0 3 265.263 2.363 10 0 CEAEHN O=C([O-])[C@H]1CCC[C@@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000062753256 526325235 /nfs/dbraw/zinc/32/52/35/526325235.db2.gz OVEAGUBHBIESJN-GJZGRUSLSA-N 0 3 280.412 2.190 10 0 CEAEHN O=C([O-])[C@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000062753256 526325238 /nfs/dbraw/zinc/32/52/38/526325238.db2.gz OVEAGUBHBIESJN-GJZGRUSLSA-N 0 3 280.412 2.190 10 0 CEAEHN Cc1nnc(OCc2ccccc2F)c(CN)c1C ZINC000069281019 526376655 /nfs/dbraw/zinc/37/66/55/526376655.db2.gz QESIQYIWQVHEHX-UHFFFAOYSA-N 0 3 261.300 2.270 10 0 CEAEHN Cc1csc(NC(=O)[C@H](CN)c2ccccc2)n1 ZINC000061610969 526392677 /nfs/dbraw/zinc/39/26/77/526392677.db2.gz YAGQPBQERYOBJH-LLVKDONJSA-N 0 3 261.350 2.133 10 0 CEAEHN O=C(CNC1CCCC1)Nc1nc2c(s1)CCC2 ZINC000049547742 526876886 /nfs/dbraw/zinc/87/68/86/526876886.db2.gz IUVYXZSRYADPFH-UHFFFAOYSA-N 0 3 265.382 2.103 10 0 CEAEHN Cc1nc(COc2cc(F)ccc2[C@H](C)N)no1 ZINC000062745347 526905434 /nfs/dbraw/zinc/90/54/34/526905434.db2.gz UFGKPUDKYHCRKH-ZETCQYMHSA-N 0 3 251.261 2.116 10 0 CEAEHN Cc1nc(COc2cc(F)ccc2[C@@H](C)N)no1 ZINC000062745346 526905801 /nfs/dbraw/zinc/90/58/01/526905801.db2.gz UFGKPUDKYHCRKH-SSDOTTSWSA-N 0 3 251.261 2.116 10 0 CEAEHN NC(=O)[C@@](N)(CSc1ccc(Cl)cc1)C1CC1 ZINC000069185450 526988697 /nfs/dbraw/zinc/98/86/97/526988697.db2.gz FJKGOWVIAQKJSG-GFCCVEGCSA-N 0 3 270.785 2.025 10 0 CEAEHN Cc1nc2sccn2c1CNCCN1CCCCC1 ZINC000049574883 527210092 /nfs/dbraw/zinc/21/00/92/527210092.db2.gz LGDAJGWWPIGGOR-UHFFFAOYSA-N 0 3 278.425 2.280 10 0 CEAEHN NC[C@H](C(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000061611784 527224247 /nfs/dbraw/zinc/22/42/47/527224247.db2.gz JNPGNMIZLAVNOF-AWEZNQCLSA-N 0 3 280.331 2.244 10 0 CEAEHN NC[C@H](NC(=O)CC[C@@H]1CCCCO1)c1ccccc1 ZINC000069405598 527226445 /nfs/dbraw/zinc/22/64/45/527226445.db2.gz CQWQUWKPAOKBSE-GJZGRUSLSA-N 0 3 276.380 2.152 10 0 CEAEHN NCc1nc(N2CCCSCC2)ccc1Cl ZINC000051398167 527264963 /nfs/dbraw/zinc/26/49/63/527264963.db2.gz RTDQAYFXKQQTCF-UHFFFAOYSA-N 0 3 257.790 2.137 10 0 CEAEHN NCc1ncccc1CN(CC(F)(F)F)C1CC1 ZINC000061656865 527265926 /nfs/dbraw/zinc/26/59/26/527265926.db2.gz VIDMLRBZWQNNEY-UHFFFAOYSA-N 0 3 259.275 2.067 10 0 CEAEHN Nc1cc(F)ccc1CN1CCN(C2CCCC2)CC1 ZINC000069399748 527454800 /nfs/dbraw/zinc/45/48/00/527454800.db2.gz TZJKDOZUACOMAQ-UHFFFAOYSA-N 0 3 277.387 2.468 10 0 CEAEHN O[C@@H](CNCCSc1ccccc1)C(F)(F)F ZINC000068879288 527651631 /nfs/dbraw/zinc/65/16/31/527651631.db2.gz VECVTDWKVMLOPR-JTQLQIEISA-N 0 3 265.300 2.292 10 0 CEAEHN Cc1nn(C)c(Oc2cccc(F)c2F)c1CN ZINC000062616418 527680730 /nfs/dbraw/zinc/68/07/30/527680730.db2.gz JLLVZGOEKGYIGA-UHFFFAOYSA-N 0 3 253.252 2.258 10 0 CEAEHN CN[C@@H]1CCCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088128062 536365504 /nfs/dbraw/zinc/36/55/04/536365504.db2.gz JSSUWYGUNRAEOD-SECBINFHSA-N 0 3 296.783 2.060 10 0 CEAEHN CCCCN=[S@@](=O)(c1ccc(N)cc1)N(C)C ZINC000675074965 567024682 /nfs/dbraw/zinc/02/46/82/567024682.db2.gz KDUBINQSSISNFZ-KRWDZBQOSA-N 0 3 255.387 2.372 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccc(Cl)nn1 ZINC000252856870 631675215 /nfs/dbraw/zinc/67/52/15/631675215.db2.gz LCEYNTPMNWXDPL-AAEUAGOBSA-N 0 3 280.803 2.189 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C/c2cccs2)C1 ZINC000060416638 639614512 /nfs/dbraw/zinc/61/45/12/639614512.db2.gz ODOBOUKXHLCNSQ-GUOLPTJISA-N 0 3 264.394 2.362 10 0 CEAEHN COC1CC(N[C@H](C)c2nc3ccccc3n2C)C1 ZINC000230672885 639777995 /nfs/dbraw/zinc/77/79/95/639777995.db2.gz DJMSGQWMHRMSRS-VOMCLLRMSA-N 0 3 259.353 2.401 10 0 CEAEHN CCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1OC ZINC000081987722 177914099 /nfs/dbraw/zinc/91/40/99/177914099.db2.gz XZHHDWWTQLDZTI-TZMCWYRMSA-N 0 3 297.420 2.390 10 0 CEAEHN CC(C)(N)C(=O)Nc1cccc(-c2cccnc2)c1 ZINC000082257249 177930229 /nfs/dbraw/zinc/93/02/29/177930229.db2.gz VODDZUCCXSYIPO-UHFFFAOYSA-N 0 3 255.321 2.424 10 0 CEAEHN COc1ccc(Br)cc1[C@H]1CNCO1 ZINC000082567754 178098659 /nfs/dbraw/zinc/09/86/59/178098659.db2.gz UGBQEOFAAMJEPH-SNVBAGLBSA-N 0 3 258.115 2.076 10 0 CEAEHN CCN1CCC[C@H](Nc2ncc(Br)cn2)C1 ZINC000082661860 178149533 /nfs/dbraw/zinc/14/95/33/178149533.db2.gz UOCRJCKEFYUIHO-JTQLQIEISA-N 0 3 285.189 2.135 10 0 CEAEHN Cn1cc([C@@H](N)c2ccccc2Br)cn1 ZINC000034957687 361800406 /nfs/dbraw/zinc/80/04/06/361800406.db2.gz JBNSSZDXQBPTAY-LLVKDONJSA-N 0 3 266.142 2.231 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N(C)C ZINC000124324453 365649753 /nfs/dbraw/zinc/64/97/53/365649753.db2.gz RZUNSTMQLSIINQ-YJNKXOJESA-N 0 3 294.439 2.181 10 0 CEAEHN CCCC(=O)OC[C@H](O)CN(Cc1ccccc1)C1CC1 ZINC000036031325 361825357 /nfs/dbraw/zinc/82/53/57/361825357.db2.gz ZYEBTNHZMWTBOI-MRXNPFEDSA-N 0 3 291.391 2.355 10 0 CEAEHN COc1ccc(C(=O)[C@@H]2CCCN2)c(Br)c1 ZINC000082954609 178330277 /nfs/dbraw/zinc/33/02/77/178330277.db2.gz HBTRXEDRORIIDK-NSHDSACASA-N 0 3 284.153 2.392 10 0 CEAEHN COC(=O)[C@H]1CCCN(C[C@H]2OCCc3ccccc32)C1 ZINC000096609922 185107656 /nfs/dbraw/zinc/10/76/56/185107656.db2.gz ITTBYNCUQKERJW-GOEBONIOSA-N 0 3 289.375 2.185 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@@]2(CSCCN2)C1 ZINC000096944271 185134768 /nfs/dbraw/zinc/13/47/68/185134768.db2.gz NKASXKBOJISQPM-ZDUSSCGKSA-N 0 3 272.414 2.093 10 0 CEAEHN C[C@H]1C[C@@]2(CN1C)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005305 185150595 /nfs/dbraw/zinc/15/05/95/185150595.db2.gz DPBKPPQLSFUTSC-BHYNMZESSA-N 0 3 251.301 2.104 10 0 CEAEHN CN1CCC[C@@]2(C[C@@H](O)c3ccc(F)cc3O2)C1 ZINC000097005313 185150670 /nfs/dbraw/zinc/15/06/70/185150670.db2.gz BKRRGMFRMYBNIL-TZMCWYRMSA-N 0 3 251.301 2.106 10 0 CEAEHN CCCCN(CC(F)(F)F)C(=O)[C@H](N)CCC ZINC000037812036 361948376 /nfs/dbraw/zinc/94/83/76/361948376.db2.gz WHXVIJPIRMBNQO-SECBINFHSA-N 0 3 254.296 2.305 10 0 CEAEHN Cc1cc(Br)cc2c1NC[C@@]21C[C@@H]1N ZINC000725247301 539192193 /nfs/dbraw/zinc/19/21/93/539192193.db2.gz LXBCVNIIDXHMMF-ONGXEEELSA-N 0 3 253.143 2.152 10 0 CEAEHN O=c1[n-]nc(C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000040847806 362005516 /nfs/dbraw/zinc/00/55/16/362005516.db2.gz NJCWWMARDSGJOT-UHFFFAOYSA-N 0 3 259.309 2.155 10 0 CEAEHN CCc1ccc([C@H](C)NCC(=O)NCCCOC)cc1 ZINC000042267424 362075531 /nfs/dbraw/zinc/07/55/31/362075531.db2.gz MIRFMWWZPUVCFN-ZDUSSCGKSA-N 0 3 278.396 2.052 10 0 CEAEHN C[C@@H](NCCN[C@@H](C)c1ccncc1)c1ccncc1 ZINC000022035249 343378687 /nfs/dbraw/zinc/37/86/87/343378687.db2.gz BFOGSPSCGNNNHA-OKILXGFUSA-N 0 3 270.380 2.478 10 0 CEAEHN CCN(CC)c1ncc(CN[C@@H]2CCC[C@@H](O)C2)s1 ZINC000037321086 343426754 /nfs/dbraw/zinc/42/67/54/343426754.db2.gz FVTODKCMJLCJDD-VXGBXAGGSA-N 0 3 283.441 2.382 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCCCCC2)C1 ZINC000246415430 539321107 /nfs/dbraw/zinc/32/11/07/539321107.db2.gz MFSJIWFLXPYOSE-UONOGXRCSA-N 0 3 267.417 2.301 10 0 CEAEHN C[C@@H]1CCCN(c2cc(NC3CCN(C)CC3)ncn2)C1 ZINC000153033097 136394440 /nfs/dbraw/zinc/39/44/40/136394440.db2.gz CNSLPVOYKNASHY-CYBMUJFWSA-N 0 3 289.427 2.219 10 0 CEAEHN CC1(C)CN([C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000306665129 539338717 /nfs/dbraw/zinc/33/87/17/539338717.db2.gz STMAZGOJYGXJQU-IAGOWNOFSA-N 0 3 288.435 2.496 10 0 CEAEHN CNc1ccccc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000094462959 344235259 /nfs/dbraw/zinc/23/52/59/344235259.db2.gz FBZNIZLZVAVEMG-CHWSQXEVSA-N 0 3 273.380 2.037 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2cccc(F)c2)C1 ZINC000113267368 344276139 /nfs/dbraw/zinc/27/61/39/344276139.db2.gz NEUKAHGFVYHHTN-WFASDCNBSA-N 0 3 266.360 2.197 10 0 CEAEHN NC[C@@H]1OCCc2sc(N3CCCCC3)cc21 ZINC000117844883 344290238 /nfs/dbraw/zinc/29/02/38/344290238.db2.gz BBADFWSFNOQECA-NSHDSACASA-N 0 3 252.383 2.311 10 0 CEAEHN CCN1CCO[C@H](CNCc2c(C)cc(C)cc2C)C1 ZINC000134439646 344373981 /nfs/dbraw/zinc/37/39/81/344373981.db2.gz RUYJPVZLXKYQRA-MRXNPFEDSA-N 0 3 276.424 2.422 10 0 CEAEHN CCCOc1ccc(CNC[C@H]2CN(CC)CCO2)cc1 ZINC000134437366 344374290 /nfs/dbraw/zinc/37/42/90/344374290.db2.gz BNCTYOTXLWQKQS-KRWDZBQOSA-N 0 3 292.423 2.286 10 0 CEAEHN NCC1(c2ccc(Br)cc2Cl)OCCO1 ZINC000135066822 344379727 /nfs/dbraw/zinc/37/97/27/344379727.db2.gz RLQNPFIPBHNQMU-UHFFFAOYSA-N 0 3 292.560 2.261 10 0 CEAEHN CC(=O)c1cc(N)ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000148734992 344413920 /nfs/dbraw/zinc/41/39/20/344413920.db2.gz CUUMULFFBLQRNT-CQSZACIVSA-N 0 3 273.380 2.146 10 0 CEAEHN C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCS1 ZINC000156232624 344441686 /nfs/dbraw/zinc/44/16/86/344441686.db2.gz PQMWCJXCSLLQBC-LBPRGKRZSA-N 0 3 278.421 2.326 10 0 CEAEHN COc1ccc2nc(C(=O)N3CC[C@@H](N(C)C)C3)ccc2c1 ZINC000170856870 344491739 /nfs/dbraw/zinc/49/17/39/344491739.db2.gz GDPZUMROCJDHED-CYBMUJFWSA-N 0 3 299.374 2.020 10 0 CEAEHN NC[C@@H](N)c1cc(Br)c(Cl)s1 ZINC000227862288 344556917 /nfs/dbraw/zinc/55/69/17/344556917.db2.gz DMVRUKKXTWUHMR-SCSAIBSYSA-N 0 3 255.568 2.123 10 0 CEAEHN Cc1sc([C@H](CN)N(C)C)cc1Br ZINC000227859610 344557025 /nfs/dbraw/zinc/55/70/25/344557025.db2.gz OLPRNVNDSVXLKT-QMMMGPOBSA-N 0 3 263.204 2.380 10 0 CEAEHN COC[C@H](N)c1ccc(F)c(F)c1Br ZINC000229826660 344568768 /nfs/dbraw/zinc/56/87/68/344568768.db2.gz ASLUBBLJXSQXGP-ZETCQYMHSA-N 0 3 266.085 2.374 10 0 CEAEHN CC(C)(C)Oc1ncc(Br)cc1CN ZINC000051527141 362431038 /nfs/dbraw/zinc/43/10/38/362431038.db2.gz TWITXCAHWVCTPO-UHFFFAOYSA-N 0 3 259.147 2.480 10 0 CEAEHN N[C@H](c1ccoc1Br)C1CCOCC1 ZINC000236295071 344595047 /nfs/dbraw/zinc/59/50/47/344595047.db2.gz SARWYJIFEQVZHN-VIFPVBQESA-N 0 3 260.131 2.469 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)C2CCCC2)C1 ZINC000246274269 344615478 /nfs/dbraw/zinc/61/54/78/344615478.db2.gz AUSDSGCKJKPICW-GXTWGEPZSA-N 0 3 267.417 2.299 10 0 CEAEHN O=C(CN1CCC[C@@H]1CCCO)NCCC1=CCCCC1 ZINC000052762851 362473995 /nfs/dbraw/zinc/47/39/95/362473995.db2.gz WBYQTKOQUWZRSM-MRXNPFEDSA-N 0 3 294.439 2.230 10 0 CEAEHN CC(C)n1cc([C@@H]2CN(Cc3cc[nH]c3)C[C@H]2CO)cn1 ZINC000284519350 344677989 /nfs/dbraw/zinc/67/79/89/344677989.db2.gz FSNNBGMYJHNIIX-HOTGVXAUSA-N 0 3 288.395 2.000 10 0 CEAEHN C[C@H]1CN[C@]2(CCN(C(=O)OC(C)(C)C)C2)S1 ZINC000306586129 344715226 /nfs/dbraw/zinc/71/52/26/344715226.db2.gz RDBUOXUHBWPXHS-JOYOIKCWSA-N 0 3 258.387 2.048 10 0 CEAEHN Cc1cn2cc(C(=N)N)nc(Cc3ccc(F)cc3)c2n1 ZINC000584605189 344963518 /nfs/dbraw/zinc/96/35/18/344963518.db2.gz HXCWRAISTNLHEM-UHFFFAOYSA-N 0 3 283.310 2.052 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000054074404 362508840 /nfs/dbraw/zinc/50/88/40/362508840.db2.gz MVJQHZWROXZNHG-VXGBXAGGSA-N 0 3 264.369 2.259 10 0 CEAEHN CN[C@H](C)C(=O)Nc1cc(Br)ccc1C ZINC000054074316 362509385 /nfs/dbraw/zinc/50/93/85/362509385.db2.gz OQZZMJCWVSKJBO-MRVPVSSYSA-N 0 3 271.158 2.304 10 0 CEAEHN CCc1nnc(C)cc1[C@H](N)c1ccc(OC)c(OC)c1 ZINC000097078242 185521985 /nfs/dbraw/zinc/52/19/85/185521985.db2.gz VZRDKTLPZJMRLN-MRXNPFEDSA-N 0 3 287.363 2.413 10 0 CEAEHN C[C@H](C[C@@](C)(N)C(N)=O)Sc1ccc2c(c1)CCC2 ZINC000084350353 178862954 /nfs/dbraw/zinc/86/29/54/178862954.db2.gz JQLHKOXZMHXQQK-MEBBXXQBSA-N 0 3 278.421 2.249 10 0 CEAEHN CC[C@H](C)n1ccc(C[C@H](N)c2cnn(C)c2C)n1 ZINC000097224994 185568121 /nfs/dbraw/zinc/56/81/21/185568121.db2.gz SQIPPKXEQRAISI-HZMBPMFUSA-N 0 3 261.373 2.139 10 0 CEAEHN CCSC1(CNCc2c(C)nn(C)c2OC)CC1 ZINC000594986543 345722105 /nfs/dbraw/zinc/72/21/05/345722105.db2.gz FQZIZTLXYVVRHX-UHFFFAOYSA-N 0 3 269.414 2.112 10 0 CEAEHN N[C@@](CO)(COc1cccc(F)c1)c1ccccc1 ZINC000085285470 179003636 /nfs/dbraw/zinc/00/36/36/179003636.db2.gz CWDQYONTOXVACC-HNNXBMFYSA-N 0 3 261.296 2.051 10 0 CEAEHN N[C@H]1COC[C@@H]1c1nc2cc(Cl)ccc2s1 ZINC000085352941 179029714 /nfs/dbraw/zinc/02/97/14/179029714.db2.gz BDHCNQJDGPQBQO-YUMQZZPRSA-N 0 3 254.742 2.391 10 0 CEAEHN CC(C)[C@@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085506262 179085018 /nfs/dbraw/zinc/08/50/18/179085018.db2.gz PLSRNSHIYRTPEE-ZACQAIPSSA-N 0 3 274.408 2.446 10 0 CEAEHN NCc1cnn(Cc2sccc2Br)c1 ZINC000063169682 362754323 /nfs/dbraw/zinc/75/43/23/362754323.db2.gz GURPUHCMGVPAOW-UHFFFAOYSA-N 0 3 272.171 2.214 10 0 CEAEHN CN(C)c1ccncc1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085632077 179107794 /nfs/dbraw/zinc/10/77/94/179107794.db2.gz FBFQGZZIBKNDMY-HONMWMINSA-N 0 3 261.369 2.373 10 0 CEAEHN Cn1cc([C@@H]2CCN(Cc3cccc4c3OCO4)C2)cn1 ZINC000128409659 187369495 /nfs/dbraw/zinc/36/94/95/187369495.db2.gz GVFOTXTZXYQIKI-GFCCVEGCSA-N 0 3 285.347 2.138 10 0 CEAEHN Cc1cc([C@@H](NC(C)C)C(N)=O)ccc1Br ZINC000085707262 179121950 /nfs/dbraw/zinc/12/19/50/179121950.db2.gz KDFIPWWYJRUHTM-LLVKDONJSA-N 0 3 285.185 2.282 10 0 CEAEHN CN1CCN(Cc2cc(CN)co2)c2ccccc21 ZINC000104268468 136554327 /nfs/dbraw/zinc/55/43/27/136554327.db2.gz MGSMHCKBDPORGX-UHFFFAOYSA-N 0 3 257.337 2.195 10 0 CEAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)[C@H]1CCCO1 ZINC000336816844 365858988 /nfs/dbraw/zinc/85/89/88/365858988.db2.gz NOMNIVKBFYYXBO-NUEKZKHPSA-N 0 3 262.397 2.446 10 0 CEAEHN CN(C)C[C@H](O)Cc1ccc(Br)cc1F ZINC000085794148 179172168 /nfs/dbraw/zinc/17/21/68/179172168.db2.gz CZMXHUMEBISPSF-SNVBAGLBSA-N 0 3 276.149 2.053 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1CNCc1cnc2ccccc2n1 ZINC000085963351 179204882 /nfs/dbraw/zinc/20/48/82/179204882.db2.gz APVNJXOBLGOPPF-MLGOLLRUSA-N 0 3 271.364 2.271 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1C ZINC000086076479 179225862 /nfs/dbraw/zinc/22/58/62/179225862.db2.gz LUTGZTCGWDFWGE-UXOAXIEHSA-N 0 3 260.381 2.107 10 0 CEAEHN CC[C@@H]1CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H]1C ZINC000086094716 179229654 /nfs/dbraw/zinc/22/96/54/179229654.db2.gz ZQECPIFGWYDRLV-OYNZBZHQSA-N 0 3 290.407 2.203 10 0 CEAEHN CC(C)(C)NCC(=O)Nc1ncc(Br)s1 ZINC000086137730 179236964 /nfs/dbraw/zinc/23/69/64/179236964.db2.gz GOPPCGYXQOPNDL-UHFFFAOYSA-N 0 3 292.202 2.232 10 0 CEAEHN COc1cc(CN2CCN[C@@H](c3ccccc3)C2)ccn1 ZINC000086148573 179239495 /nfs/dbraw/zinc/23/94/95/179239495.db2.gz LBDWCODMCLHEJK-MRXNPFEDSA-N 0 3 283.375 2.237 10 0 CEAEHN CC[C@H]1CN[C@@H](c2ccccc2)CN1c1cnn(C)c1 ZINC000086218333 179249256 /nfs/dbraw/zinc/24/92/56/179249256.db2.gz YCOSJWVNWFWJJY-GOEBONIOSA-N 0 3 270.380 2.350 10 0 CEAEHN CC(C)(O)CCOc1ccc(Br)cc1CN ZINC000086234011 179254620 /nfs/dbraw/zinc/25/46/20/179254620.db2.gz YPXUAQJJRIEAAD-UHFFFAOYSA-N 0 3 288.185 2.448 10 0 CEAEHN CN(CC(C)(C)O)[C@H](CN)c1ccc(Cl)s1 ZINC000086273462 179262768 /nfs/dbraw/zinc/26/27/68/179262768.db2.gz JXXLJROEZSAIDM-MRVPVSSYSA-N 0 3 262.806 2.104 10 0 CEAEHN CCCN1C(=O)C[C@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317443 179270255 /nfs/dbraw/zinc/27/02/55/179270255.db2.gz BFXHICOKHGHYFJ-LRDDRELGSA-N 0 3 269.348 2.246 10 0 CEAEHN CN1C(=O)CCC[C@@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317418 179270487 /nfs/dbraw/zinc/27/04/87/179270487.db2.gz JNYCWOVONSPKGI-MLGOLLRUSA-N 0 3 269.348 2.246 10 0 CEAEHN C[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3N)C[C@@H](C)O1 ZINC000086442197 179294124 /nfs/dbraw/zinc/29/41/24/179294124.db2.gz YJVUAEXKRHWGJK-BBBLOLIVSA-N 0 3 267.398 2.093 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc(OC)cc2)[C@@H](CC)CN1 ZINC000086446991 179295855 /nfs/dbraw/zinc/29/58/55/179295855.db2.gz FUAQJBBQQXIYJC-KBPBESRZSA-N 0 3 276.380 2.298 10 0 CEAEHN C[NH2+][C@@H](C)c1ccccc1[N-]S(=O)(=O)CC1CC1 ZINC000086497134 179303531 /nfs/dbraw/zinc/30/35/31/179303531.db2.gz XCOBSZSBOIYSMC-JTQLQIEISA-N 0 3 268.382 2.119 10 0 CEAEHN CN[C@H](Cc1cc(Br)cs1)C(OC)OC ZINC000086452145 179296555 /nfs/dbraw/zinc/29/65/55/179296555.db2.gz BBQZSLVPMHGNNP-SECBINFHSA-N 0 3 294.214 2.260 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000086675702 179318602 /nfs/dbraw/zinc/31/86/02/179318602.db2.gz AWMHYUIEEGFJAW-LXTVHRRPSA-N 0 3 279.405 2.098 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@@H]1NCCSc1ccccc1 ZINC000086675295 179318751 /nfs/dbraw/zinc/31/87/51/179318751.db2.gz GNJYLXZTNVAQLM-UONOGXRCSA-N 0 3 299.461 2.334 10 0 CEAEHN CC(C)N[C@@]1(c2nccs2)CCCN(C)CC1 ZINC000086833714 179350226 /nfs/dbraw/zinc/35/02/26/179350226.db2.gz LEJHLJKSANFMTI-ZDUSSCGKSA-N 0 3 253.415 2.452 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1ccc(F)c(F)c1 ZINC000086978592 179372370 /nfs/dbraw/zinc/37/23/70/179372370.db2.gz WALIIKGHFCYDDF-LBPRGKRZSA-N 0 3 277.336 2.180 10 0 CEAEHN CCCn1nccc1[C@H](N)[C@@H]1CSCCS1 ZINC000086983854 179373985 /nfs/dbraw/zinc/37/39/85/179373985.db2.gz GDNXQDXCNVHPCQ-QWRGUYRKSA-N 0 3 257.428 2.142 10 0 CEAEHN CN[C@H](c1cnccc1C)[C@@H]1CSCCS1 ZINC000086984800 179373871 /nfs/dbraw/zinc/37/38/71/179373871.db2.gz LOJMBSYCWGOIFC-NWDGAFQWSA-N 0 3 254.424 2.499 10 0 CEAEHN CC[C@@](C)(O)CNCC(=O)Nc1cccc(Cl)c1 ZINC000087028091 179381842 /nfs/dbraw/zinc/38/18/42/179381842.db2.gz SUQCBTVUHPKGHS-CYBMUJFWSA-N 0 3 270.760 2.029 10 0 CEAEHN COc1ccc([C@H]2[C@H](N)CCC(=O)N2C(C)C)cc1F ZINC000086995174 179376299 /nfs/dbraw/zinc/37/62/99/179376299.db2.gz MKJPMHPZEUPUMN-DOMZBBRYSA-N 0 3 280.343 2.234 10 0 CEAEHN CCOC(=O)C[C@@H](c1ccc(OC)c(F)c1)N(C)C ZINC000086995666 179376717 /nfs/dbraw/zinc/37/67/17/179376717.db2.gz ZSJZIZMUALQLGY-LBPRGKRZSA-N 0 3 269.316 2.390 10 0 CEAEHN CC[C@@]1(C)CNC[C@H](c2ccc3c(c2)OCCO3)O1 ZINC000087006686 179378341 /nfs/dbraw/zinc/37/83/41/179378341.db2.gz SGUVUAKIJCEZJJ-CABCVRRESA-N 0 3 263.337 2.287 10 0 CEAEHN CCSCc1nc(C[NH2+]C(C)(C)C)cc(=O)[n-]1 ZINC000087106832 179395786 /nfs/dbraw/zinc/39/57/86/179395786.db2.gz CECIVLYEBMELAS-UHFFFAOYSA-N 0 3 255.387 2.323 10 0 CEAEHN COc1cccc(CNC[C@]2(O)CCC[C@@H](C)C2)n1 ZINC000087064090 179389971 /nfs/dbraw/zinc/38/99/71/179389971.db2.gz YHWKXGTUSOKKAK-DOMZBBRYSA-N 0 3 264.369 2.121 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)NCC1(O)CCC(C)(C)CC1 ZINC000087063789 179390153 /nfs/dbraw/zinc/39/01/53/179390153.db2.gz UMFXWVNUHIYUTM-CYBMUJFWSA-N 0 3 284.444 2.164 10 0 CEAEHN CCC1CCC(O)(CNC(=O)[C@@]2(N)CCC[C@H](C)C2)CC1 ZINC000087070322 179391352 /nfs/dbraw/zinc/39/13/52/179391352.db2.gz SPOWTDYFHIUSCQ-VFNXUKNFSA-N 0 3 296.455 2.342 10 0 CEAEHN CC[C@H]1CNC[C@H](c2cccc(OC)c2OC)O1 ZINC000087090155 179394046 /nfs/dbraw/zinc/39/40/46/179394046.db2.gz FXWGLJWXDBMLMI-GXFFZTMASA-N 0 3 251.326 2.143 10 0 CEAEHN CCC[NH2+]Cc1cc(=O)[n-]c(CS[C@H](C)CC)n1 ZINC000087141586 179397573 /nfs/dbraw/zinc/39/75/73/179397573.db2.gz ULOQLXJIRJRIFZ-SNVBAGLBSA-N 0 3 269.414 2.301 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)[C@@H]1CCCO1 ZINC000248632883 539638400 /nfs/dbraw/zinc/63/84/00/539638400.db2.gz WXXDMGAQJIQCAE-SEBNEYGDSA-N 0 3 282.428 2.322 10 0 CEAEHN Cc1cc(CNC(=O)[C@@](C)(N)C2CC2)sc1C ZINC000087578239 179450332 /nfs/dbraw/zinc/45/03/32/179450332.db2.gz OLABMOVESRTXFS-ZDUSSCGKSA-N 0 3 252.383 2.109 10 0 CEAEHN CCOC(=O)c1ccc([C@H]2CN(C)CCCO2)cc1 ZINC000616651299 348548585 /nfs/dbraw/zinc/54/85/85/348548585.db2.gz GZNJTLDRKOGIRE-CQSZACIVSA-N 0 3 263.337 2.257 10 0 CEAEHN C/C=C/C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000616569376 348523737 /nfs/dbraw/zinc/52/37/37/348523737.db2.gz IWZXQWTXOXVFQT-LJJWDDLZSA-N 0 3 262.328 2.045 10 0 CEAEHN CCN1CCO[C@H](c2ccccc2NC(C)=O)CC1 ZINC000616593915 348528534 /nfs/dbraw/zinc/52/85/34/348528534.db2.gz MKJPTUQQHPRKRT-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN c1c[nH]c([C@H]2COCCN(Cc3ccccc3)C2)n1 ZINC000616662037 348552815 /nfs/dbraw/zinc/55/28/15/348552815.db2.gz FAOWACNPVSHMCP-CQSZACIVSA-N 0 3 257.337 2.026 10 0 CEAEHN CC(C)(C)OC(=O)N1c2ccccc2NC[C@@H]1CN ZINC000616683522 348559491 /nfs/dbraw/zinc/55/94/91/348559491.db2.gz HMUHWBJOVASOJA-JTQLQIEISA-N 0 3 263.341 2.181 10 0 CEAEHN CCN1CCO[C@H](c2cccc3ccnnc32)CC1 ZINC000616684113 348560288 /nfs/dbraw/zinc/56/02/88/348560288.db2.gz CKKYMJJZUCBIMF-AWEZNQCLSA-N 0 3 257.337 2.413 10 0 CEAEHN CCCN[C@@](C)(CN1CCCCc2ccccc21)C(N)=O ZINC000088334988 179578586 /nfs/dbraw/zinc/57/85/86/179578586.db2.gz VMQNHAWEROCWOA-KRWDZBQOSA-N 0 3 289.423 2.073 10 0 CEAEHN O=C1C[C@@H](N[C@H]2CC=CCC2)C(=O)N1c1ccccc1 ZINC000088747992 179664276 /nfs/dbraw/zinc/66/42/76/179664276.db2.gz OUGKTQSEDUNGMU-GXTWGEPZSA-N 0 3 270.332 2.017 10 0 CEAEHN COCC[C@@H](N)c1nc2cnccc2n1C(C)(C)C ZINC000088866536 179684975 /nfs/dbraw/zinc/68/49/75/179684975.db2.gz KBHZGYNGPXGDRN-SNVBAGLBSA-N 0 3 262.357 2.223 10 0 CEAEHN CC(C)c1ccc([C@H](C)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000089754829 179861302 /nfs/dbraw/zinc/86/13/02/179861302.db2.gz QTYPMMCPANUCJO-FZMZJTMJSA-N 0 3 274.364 2.266 10 0 CEAEHN CCOC(=O)N1CCC(n2cncc2CNC(C)C)CC1 ZINC000090240651 179938133 /nfs/dbraw/zinc/93/81/33/179938133.db2.gz CCCJQPQXFNICNP-UHFFFAOYSA-N 0 3 294.399 2.175 10 0 CEAEHN CN[C@@H]1COC[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000090424037 179984951 /nfs/dbraw/zinc/98/49/51/179984951.db2.gz BHOAYLDBAPEQGL-LDYMZIIASA-N 0 3 297.717 2.231 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1 ZINC000623766446 350107678 /nfs/dbraw/zinc/10/76/78/350107678.db2.gz GRPROBCUIGBMTR-BIMULSAOSA-N 0 3 255.745 2.140 10 0 CEAEHN CCOC(CNCc1ccc(COC)cc1)OCC ZINC000090714184 180028516 /nfs/dbraw/zinc/02/85/16/180028516.db2.gz GYQSYFKOCGJPCF-UHFFFAOYSA-N 0 3 267.369 2.322 10 0 CEAEHN C[C@@]1(c2nc(-c3ccc(F)cc3Cl)no2)COC[C@H]1N ZINC000090573781 180007455 /nfs/dbraw/zinc/00/74/55/180007455.db2.gz CJZBOBNWVROGDJ-ZWNOBZJWSA-N 0 3 297.717 2.144 10 0 CEAEHN CC(C)n1c2cccc(F)c2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571793 180007676 /nfs/dbraw/zinc/00/76/76/180007676.db2.gz ZYXAKPIRSPSOFH-WFASDCNBSA-N 0 3 277.343 2.372 10 0 CEAEHN CC(C)(C)c1ccc(NC(=O)[C@]2(C)COC[C@@H]2N)cc1 ZINC000090580328 180008667 /nfs/dbraw/zinc/00/86/67/180008667.db2.gz KYLHPDZVCJSDRX-XJKSGUPXSA-N 0 3 276.380 2.286 10 0 CEAEHN C[C@]1(C(=O)Nc2cccc3ccccc32)COC[C@H]1N ZINC000090580173 180008788 /nfs/dbraw/zinc/00/87/88/180008788.db2.gz ZVTDARXZFUDHBB-ZBFHGGJFSA-N 0 3 270.332 2.142 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@@]1(C)COC[C@H]1N ZINC000090590026 180010038 /nfs/dbraw/zinc/01/00/38/180010038.db2.gz BTEYXAPPDBFCON-OCCSQVGLSA-N 0 3 280.393 2.101 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)[C@]1(C)COC[C@@H]1N ZINC000090589971 180010515 /nfs/dbraw/zinc/01/05/15/180010515.db2.gz RUXXEIKUWRVWDC-GOEBONIOSA-N 0 3 292.379 2.086 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC[C@@H](C)[S@](C)=O ZINC000090843089 180044608 /nfs/dbraw/zinc/04/46/08/180044608.db2.gz QHXRZMYHSQIANI-FTLABTOESA-N 0 3 269.410 2.421 10 0 CEAEHN COCCNCc1cccc(SCCOC)c1 ZINC000090873102 180050341 /nfs/dbraw/zinc/05/03/41/180050341.db2.gz REHUUIJDVJQZNL-UHFFFAOYSA-N 0 3 255.383 2.161 10 0 CEAEHN Cc1ccc2c(c1)C[C@@H](CNCc1ccccn1)O2 ZINC000090897227 180056830 /nfs/dbraw/zinc/05/68/30/180056830.db2.gz HZQRCPFSXUFRKU-HNNXBMFYSA-N 0 3 254.333 2.483 10 0 CEAEHN CN[C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907556 180062170 /nfs/dbraw/zinc/06/21/70/180062170.db2.gz NARGXNBRSPSXDS-DVOMOZLQSA-N 0 3 278.371 2.340 10 0 CEAEHN C[C@H](N)c1nc(CN2CCN(C(C)(C)C)CC2)cs1 ZINC000090958170 180074498 /nfs/dbraw/zinc/07/44/98/180074498.db2.gz GJGIUZBMXUFWMP-NSHDSACASA-N 0 3 282.457 2.079 10 0 CEAEHN CCN(CC)C(=O)CCNCc1sccc1NC(C)=O ZINC000090960187 180075397 /nfs/dbraw/zinc/07/53/97/180075397.db2.gz LSTBMDCKMMSSSK-UHFFFAOYSA-N 0 3 297.424 2.055 10 0 CEAEHN NCc1cccn1Cc1ccn(-c2ccccc2)n1 ZINC000090995133 180082837 /nfs/dbraw/zinc/08/28/37/180082837.db2.gz XPAMEEYZUWOEKL-UHFFFAOYSA-N 0 3 252.321 2.181 10 0 CEAEHN CCn1ccc(CN[C@H]2CCCc3c2cnn3C)c1 ZINC000091011506 180086133 /nfs/dbraw/zinc/08/61/33/180086133.db2.gz NNWLNKAGACZEQN-AWEZNQCLSA-N 0 3 258.369 2.409 10 0 CEAEHN Cc1nn(C(C)C)c(C)c1NC(=O)C[C@@H]1CSCCN1 ZINC000091135534 180104836 /nfs/dbraw/zinc/10/48/36/180104836.db2.gz IUUFWAOAMPEQHZ-GFCCVEGCSA-N 0 3 296.440 2.114 10 0 CEAEHN NCc1cnn(-c2ccc(Br)cn2)c1C1CC1 ZINC000091339904 180136241 /nfs/dbraw/zinc/13/62/41/180136241.db2.gz UHATYAWOFSGXAH-UHFFFAOYSA-N 0 3 293.168 2.366 10 0 CEAEHN CCCNCc1c(C)nn(C)c1S[C@H](C)CCO ZINC000091268361 180117076 /nfs/dbraw/zinc/11/70/76/180117076.db2.gz MNWOKLDZRBBPAW-SNVBAGLBSA-N 0 3 271.430 2.091 10 0 CEAEHN CC(C)N1C(=O)CCC[C@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275598 180118942 /nfs/dbraw/zinc/11/89/42/180118942.db2.gz VSSMVMGRYIVVJY-SWLSCSKDSA-N 0 3 276.384 2.007 10 0 CEAEHN O[C@@H](c1cncn1C1CC1)[C@H]1NCc2ccccc21 ZINC000091277440 180119542 /nfs/dbraw/zinc/11/95/42/180119542.db2.gz OYVGVQQWKVKDTA-GJZGRUSLSA-N 0 3 255.321 2.096 10 0 CEAEHN NC[C@@H](c1cncn1C1CC1)N(CC1CC1)C1CC1 ZINC000091276607 180119842 /nfs/dbraw/zinc/11/98/42/180119842.db2.gz YVIQWCDQQIDCDX-AWEZNQCLSA-N 0 3 260.385 2.092 10 0 CEAEHN Clc1cccc2nc(C[C@H]3CNCCO3)sc21 ZINC000091294603 180124928 /nfs/dbraw/zinc/12/49/28/180124928.db2.gz ZCRRWBQLLINRNU-QMMMGPOBSA-N 0 3 268.769 2.481 10 0 CEAEHN C[C@H](O)c1cccc(NC(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000091433277 180154179 /nfs/dbraw/zinc/15/41/79/180154179.db2.gz DXJPZWHDCSOVPY-WFASDCNBSA-N 0 3 291.395 2.298 10 0 CEAEHN CNCc1cncc(Oc2ccc(F)cc2F)n1 ZINC000091434161 180154210 /nfs/dbraw/zinc/15/42/10/180154210.db2.gz GMDNMSSQBGMXTG-UHFFFAOYSA-N 0 3 251.236 2.267 10 0 CEAEHN CCCNCc1cncc(O[C@H](C)C(F)(F)F)n1 ZINC000091435608 180154328 /nfs/dbraw/zinc/15/43/28/180154328.db2.gz LRRYVZJIXIUUNY-MRVPVSSYSA-N 0 3 263.263 2.306 10 0 CEAEHN CC(C)NCc1cncc(Oc2ccc3c(c2)OCO3)n1 ZINC000091434108 180154369 /nfs/dbraw/zinc/15/43/69/180154369.db2.gz AXOYSZHRTFGTCZ-UHFFFAOYSA-N 0 3 287.319 2.496 10 0 CEAEHN CNc1c(F)cccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000091449973 180158031 /nfs/dbraw/zinc/15/80/31/180158031.db2.gz ACCYCTUDRVXSGI-NSHDSACASA-N 0 3 279.359 2.034 10 0 CEAEHN c1coc(CN(CCC2OCCCO2)C2CC2)c1 ZINC000091465833 180163866 /nfs/dbraw/zinc/16/38/66/180163866.db2.gz ODTBLSONZKHRRW-UHFFFAOYSA-N 0 3 251.326 2.397 10 0 CEAEHN CSC1(C(N)=S)CCN(Cc2cccnc2)CC1 ZINC000091478102 180166397 /nfs/dbraw/zinc/16/63/97/180166397.db2.gz PKZGXGNRSSBPTQ-UHFFFAOYSA-N 0 3 281.450 2.065 10 0 CEAEHN COc1ccc(C=O)cc1CN1CCC[C@@H](N(C)C)C1 ZINC000091392113 180144808 /nfs/dbraw/zinc/14/48/08/180144808.db2.gz QODGNPQRSYYADV-OAHLLOKOSA-N 0 3 276.380 2.034 10 0 CEAEHN COc1ccc2cc(CNC3CC(O)C3)ccc2c1 ZINC000091416137 180149712 /nfs/dbraw/zinc/14/97/12/180149712.db2.gz RYUOCCVBGLBXRP-UHFFFAOYSA-N 0 3 257.333 2.461 10 0 CEAEHN Cc1nn(-c2cncc(CNCC(C)C)n2)c(C)c1C ZINC000091422444 180151290 /nfs/dbraw/zinc/15/12/90/180151290.db2.gz CDIQFQPAKDIJCX-UHFFFAOYSA-N 0 3 273.384 2.333 10 0 CEAEHN C[C@@H](NC1CC(O)C1)c1ccc2c(c1)OCCCO2 ZINC000091426392 180152317 /nfs/dbraw/zinc/15/23/17/180152317.db2.gz NSMPZBTZMXJVFB-QFWMXSHPSA-N 0 3 263.337 2.022 10 0 CEAEHN CC1CCC([C@@H](O)C(C)(C)N2CCOCC2)CC1 ZINC000091566041 180193946 /nfs/dbraw/zinc/19/39/46/180193946.db2.gz XCCUHQTZUWALAS-JXQTWKCFSA-N 0 3 255.402 2.284 10 0 CEAEHN CC(C)([C@@H](N)c1cc(F)ccc1F)N1CCOCC1 ZINC000091566061 180194109 /nfs/dbraw/zinc/19/41/09/180194109.db2.gz DQMLAYIYLLTCKO-ZDUSSCGKSA-N 0 3 270.323 2.075 10 0 CEAEHN CC[C@@](C)([C@H](O)Cc1ccc(C)cc1)N1CCOCC1 ZINC000091611325 180206720 /nfs/dbraw/zinc/20/67/20/180206720.db2.gz UFJYYANPWVCQAQ-SJORKVTESA-N 0 3 277.408 2.399 10 0 CEAEHN CCN[C@@H](c1cncnc1)C(C)(C)N(CC)CC ZINC000091531305 180180601 /nfs/dbraw/zinc/18/06/01/180180601.db2.gz RGSQTIFCKOWIMR-ZDUSSCGKSA-N 0 3 250.390 2.248 10 0 CEAEHN COc1ccccc1CCN(C)C[C@H](O)COC(C)(C)C ZINC000104962729 186036655 /nfs/dbraw/zinc/03/66/55/186036655.db2.gz NDBSNCMITWWTEE-HNNXBMFYSA-N 0 3 295.423 2.346 10 0 CEAEHN CC[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1=O)C(C)C ZINC000105028351 186038607 /nfs/dbraw/zinc/03/86/07/186038607.db2.gz RNWOHMWKNJKKLV-KGLIPLIRSA-N 0 3 274.364 2.343 10 0 CEAEHN N[C@@H](c1cnccn1)C1(N2CCCCC2)CCCC1 ZINC000091641851 180212998 /nfs/dbraw/zinc/21/29/98/180212998.db2.gz JYHTVLZYVGNYTG-AWEZNQCLSA-N 0 3 260.385 2.275 10 0 CEAEHN N[C@H](c1cncnc1)C1(N2CCCCC2)CCCC1 ZINC000091641846 180213167 /nfs/dbraw/zinc/21/31/67/180213167.db2.gz DOPKRDHONZCEQO-CQSZACIVSA-N 0 3 260.385 2.275 10 0 CEAEHN CC[C@H](N[C@H]1CCOC[C@@H]1O)c1ccccc1F ZINC000624238816 350241953 /nfs/dbraw/zinc/24/19/53/350241953.db2.gz ZEVXHRXTQGPGML-IHRRRGAJSA-N 0 3 253.317 2.016 10 0 CEAEHN CN[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CN(C)CCO1 ZINC000091717474 180232540 /nfs/dbraw/zinc/23/25/40/180232540.db2.gz PXYGTROPFTVAAS-CHWSQXEVSA-N 0 3 288.313 2.297 10 0 CEAEHN CN1CCO[C@@H]([C@@H](N)c2ccc(C(C)(C)C)cc2)C1 ZINC000091717070 180232918 /nfs/dbraw/zinc/23/29/18/180232918.db2.gz SPSDJVYGSVJFIM-CABCVRRESA-N 0 3 262.397 2.315 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1F)[C@H]1CN(C)CCO1 ZINC000091718720 180233502 /nfs/dbraw/zinc/23/35/02/180233502.db2.gz GEEYMPAQNNUQQB-CABCVRRESA-N 0 3 266.360 2.115 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718694 180233618 /nfs/dbraw/zinc/23/36/18/180233618.db2.gz ZWIAPBSGOQYRTD-HOTGVXAUSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@H](c1cccc(OC)c1)[C@@H]1CN(C)CCO1 ZINC000091719043 180234492 /nfs/dbraw/zinc/23/44/92/180234492.db2.gz AEPSWFDWUPSTAK-JKSUJKDBSA-N 0 3 278.396 2.067 10 0 CEAEHN CSc1ccc([C@H](C)N[C@H]2CCOC[C@H]2O)cc1 ZINC000624235359 350238375 /nfs/dbraw/zinc/23/83/75/350238375.db2.gz JDVFMDAMWHRVSM-LEWSCRJBSA-N 0 3 267.394 2.209 10 0 CEAEHN CCN[C@H](c1cccc(OC)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721629 180238383 /nfs/dbraw/zinc/23/83/83/180238383.db2.gz KEUHRONNHDPIKV-HYVNUMGLSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](C)c1cccn1CC(=O)NC1CCCCC1 ZINC000091800449 180259016 /nfs/dbraw/zinc/25/90/16/180259016.db2.gz NKWGCBBEVORZDG-LBPRGKRZSA-N 0 3 263.385 2.217 10 0 CEAEHN CCN[C@H](c1cccc(F)c1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721973 180240360 /nfs/dbraw/zinc/24/03/60/180240360.db2.gz GGZDCFDVFSSCGN-DIOULYMOSA-N 0 3 296.361 2.479 10 0 CEAEHN NC[C@@]1(C2(O)CCC(=O)CC2)CCCc2ccccc21 ZINC000091924547 180287774 /nfs/dbraw/zinc/28/77/74/180287774.db2.gz QZHGQTAZCZEOLZ-INIZCTEOSA-N 0 3 273.376 2.094 10 0 CEAEHN CC[C@@H]1CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000091919432 180286568 /nfs/dbraw/zinc/28/65/68/180286568.db2.gz HEZHHDBPSJUFQF-GFCCVEGCSA-N 0 3 251.374 2.359 10 0 CEAEHN CCN1CCO[C@H](COc2ccc(Cl)cc2[C@H](C)N)C1 ZINC000092051307 180312789 /nfs/dbraw/zinc/31/27/89/180312789.db2.gz NVRYZSAIBLBKOQ-AAEUAGOBSA-N 0 3 298.814 2.459 10 0 CEAEHN C[C@@H](N)c1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054407 180314372 /nfs/dbraw/zinc/31/43/72/180314372.db2.gz IUROUQMIUBUNEH-ZYHUDNBSSA-N 0 3 284.787 2.069 10 0 CEAEHN NCc1ccccc1CNC(=O)N1CCCCCC1 ZINC000091971593 180295720 /nfs/dbraw/zinc/29/57/20/180295720.db2.gz IQXXCXYJLBHRJN-UHFFFAOYSA-N 0 3 261.369 2.231 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@H](CC)C(=O)OCC ZINC000091994973 180301489 /nfs/dbraw/zinc/30/14/89/180301489.db2.gz VRBCCODJOKRZPM-CYBMUJFWSA-N 0 3 280.368 2.220 10 0 CEAEHN CCCNCc1nc(C)ccc1OC[C@@H](O)C(F)(F)F ZINC000091995212 180301948 /nfs/dbraw/zinc/30/19/48/180301948.db2.gz HNGDVWHAOQJZRZ-GFCCVEGCSA-N 0 3 292.301 2.192 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1ccc(C)nc1CNCC(C)C ZINC000091996418 180302265 /nfs/dbraw/zinc/30/22/65/180302265.db2.gz AUBUSOZEHAYCKH-CYBMUJFWSA-N 0 3 294.395 2.466 10 0 CEAEHN CCN(Cc1nc(C)ccc1[O-])[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091996221 180302284 /nfs/dbraw/zinc/30/22/84/180302284.db2.gz WZXQEFYWAWIQQC-HIFRSBDPSA-N 0 3 277.412 2.435 10 0 CEAEHN CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115708 180327064 /nfs/dbraw/zinc/32/70/64/180327064.db2.gz XGFJHXPQQBHDBF-SNVBAGLBSA-N 0 3 288.388 2.094 10 0 CEAEHN C[C@H]1CN(c2ncc(CNC3CC3)s2)C[C@@H]1C ZINC000092089672 180321731 /nfs/dbraw/zinc/32/17/31/180321731.db2.gz MSENHKCNDFNZQO-UWVGGRQHSA-N 0 3 251.399 2.487 10 0 CEAEHN CCCc1ccc([C@@H](N)CN2C(=O)[C@H](C)[C@H](C)C2=O)cc1 ZINC000092094285 180322790 /nfs/dbraw/zinc/32/27/90/180322790.db2.gz TUYSXNQCNBOBIU-ZOWXZIJZSA-N 0 3 288.391 2.280 10 0 CEAEHN Cc1cc(C)c([C@@H](N)CN2C(=O)[C@H](C)[C@H](C)C2=O)c(C)c1 ZINC000092094311 180323092 /nfs/dbraw/zinc/32/30/92/180323092.db2.gz MNMUCDQYGFBCJD-MJBXVCDLSA-N 0 3 288.391 2.253 10 0 CEAEHN Cc1ncc(CN)n1C[C@@H]1Cc2ccccc2S1 ZINC000092271962 180356575 /nfs/dbraw/zinc/35/65/75/180356575.db2.gz PHDZAPDUMNTGSJ-ZDUSSCGKSA-N 0 3 259.378 2.367 10 0 CEAEHN CCOC(=O)CCCN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901728 186087964 /nfs/dbraw/zinc/08/79/64/186087964.db2.gz BFJLAFQTWZPOLM-AWEZNQCLSA-N 0 3 279.384 2.172 10 0 CEAEHN CCOC(=O)CCN1CCC[C@H](n2ccnc2CC)C1 ZINC000105922634 186090466 /nfs/dbraw/zinc/09/04/66/186090466.db2.gz OQIGOSYRNIXKIB-ZDUSSCGKSA-N 0 3 279.384 2.036 10 0 CEAEHN C[C@H](c1cc(F)ccc1F)N1CCO[C@H](CN(C)C)C1 ZINC000105924248 186091216 /nfs/dbraw/zinc/09/12/16/186091216.db2.gz FTHQZZSUGYBBLQ-DGCLKSJQSA-N 0 3 284.350 2.288 10 0 CEAEHN Cc1nn(C)c(C)c1Cn1c(N)nc2ccc(F)c(F)c21 ZINC000092341053 180365852 /nfs/dbraw/zinc/36/58/52/180365852.db2.gz VJZBKBSOZRYKLR-UHFFFAOYSA-N 0 3 291.305 2.295 10 0 CEAEHN Cc1cc(NC(=O)Nc2cccc(CN)c2)ccn1 ZINC000092365428 180369294 /nfs/dbraw/zinc/36/92/94/180369294.db2.gz QIIBGISTXRMYBJ-UHFFFAOYSA-N 0 3 256.309 2.493 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H]([S@](=O)C(C)C)CC2 ZINC000092388970 180375427 /nfs/dbraw/zinc/37/54/27/180375427.db2.gz IBJUZGKPIHROMN-GLJUWKHASA-N 0 3 267.394 2.167 10 0 CEAEHN CN[C@@]1(CC(=O)OC)CCCc2ccc(OC)cc21 ZINC000092390503 180375717 /nfs/dbraw/zinc/37/57/17/180375717.db2.gz GIWBQJQVLBCPDA-OAHLLOKOSA-N 0 3 263.337 2.009 10 0 CEAEHN CCNc1ccnc(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000092418398 180381552 /nfs/dbraw/zinc/38/15/52/180381552.db2.gz CXJLVPZEUKXTSZ-GJZGRUSLSA-N 0 3 261.369 2.267 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@@H](n1cc(C)cn1)CC2 ZINC000092386112 180373887 /nfs/dbraw/zinc/37/38/87/180373887.db2.gz PSHXFHYYYSUBAG-LSDHHAIUSA-N 0 3 257.337 2.387 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](N(C)C[C@@H]1CCCO1)CC2 ZINC000092385719 180374038 /nfs/dbraw/zinc/37/40/38/180374038.db2.gz MYGXBGKNRYHLJN-UAGQMJEPSA-N 0 3 290.407 2.121 10 0 CEAEHN CCOCCN(CC)C[C@](C)(O)c1ccccc1 ZINC000107062174 186157917 /nfs/dbraw/zinc/15/79/17/186157917.db2.gz HAKSPLUNOOHTLL-HNNXBMFYSA-N 0 3 251.370 2.253 10 0 CEAEHN COC[C@@H](N)Cc1nc([C@@H]2CCCc3ccccc32)no1 ZINC000109514930 186258296 /nfs/dbraw/zinc/25/82/96/186258296.db2.gz YCFAKEJFIKQIGK-GXTWGEPZSA-N 0 3 287.363 2.054 10 0 CEAEHN CCN[C@H](COC)Cc1nc(Cc2ccc(C)cc2)no1 ZINC000109507899 186258641 /nfs/dbraw/zinc/25/86/41/186258641.db2.gz QVUFOHOMIBBXTP-AWEZNQCLSA-N 0 3 289.379 2.136 10 0 CEAEHN CCCCCCN1CCN(C(C)(C)C(N)=S)CC1 ZINC000109471080 186254865 /nfs/dbraw/zinc/25/48/65/186254865.db2.gz RTHXGPXYOGJPJV-UHFFFAOYSA-N 0 3 271.474 2.249 10 0 CEAEHN CCN[C@@H](CO[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000110526238 186300705 /nfs/dbraw/zinc/30/07/05/186300705.db2.gz MLAKGJMUJOADMW-GJZGRUSLSA-N 0 3 265.353 2.151 10 0 CEAEHN CN(CC1CCCC1)S(=O)(=O)Cc1ccccc1CN ZINC000110838660 186329109 /nfs/dbraw/zinc/32/91/09/186329109.db2.gz CBNYMBFGXSJBEB-UHFFFAOYSA-N 0 3 296.436 2.097 10 0 CEAEHN CO[C@H]1CCC[C@H]1NCc1n[nH]nc1-c1ccccc1 ZINC000110925358 186333528 /nfs/dbraw/zinc/33/35/28/186333528.db2.gz IVEZRZGZHCORFQ-OCCSQVGLSA-N 0 3 272.352 2.129 10 0 CEAEHN CO[C@H]1CCC[C@H]1NCc1[nH]nnc1-c1ccccc1 ZINC000110925358 186333530 /nfs/dbraw/zinc/33/35/30/186333530.db2.gz IVEZRZGZHCORFQ-OCCSQVGLSA-N 0 3 272.352 2.129 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OC[C@@H]1CNC(=O)O1 ZINC000110960801 186338135 /nfs/dbraw/zinc/33/81/35/186338135.db2.gz YNOSAQHZZCKBQV-NEPJUHHUSA-N 0 3 278.352 2.153 10 0 CEAEHN CCOc1ccccc1[C@@H](N)CN1CCN(C)C(C)(C)C1 ZINC000110716449 186315311 /nfs/dbraw/zinc/31/53/11/186315311.db2.gz REMGBJPFRISDOZ-HNNXBMFYSA-N 0 3 291.439 2.111 10 0 CEAEHN CCOc1ccccc1[C@@H](N)CN1CCN(CC)[C@@H](C)C1 ZINC000110714382 186315339 /nfs/dbraw/zinc/31/53/39/186315339.db2.gz DKCSYDBGRLTVLK-HOCLYGCPSA-N 0 3 291.439 2.111 10 0 CEAEHN C[C@@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2O)CCN1C ZINC000110735513 186317222 /nfs/dbraw/zinc/31/72/22/186317222.db2.gz ZBYLKRXRECWDEA-XYPHTWIQSA-N 0 3 274.408 2.061 10 0 CEAEHN CN1CCN([C@@H]2CCCc3ccccc3[C@@H]2O)CC1(C)C ZINC000110736546 186318369 /nfs/dbraw/zinc/31/83/69/186318369.db2.gz XXGBBMIPUITGEU-SJORKVTESA-N 0 3 288.435 2.451 10 0 CEAEHN C[C@@H]1CN(CCNc2ccc(Cl)cc2)CCN1C ZINC000110756521 186320833 /nfs/dbraw/zinc/32/08/33/186320833.db2.gz RMUPJBAQIFCEIR-GFCCVEGCSA-N 0 3 267.804 2.388 10 0 CEAEHN CN(C(=O)c1c(N)cccc1Cl)[C@H]1CCCN(C)C1 ZINC000111012530 186343424 /nfs/dbraw/zinc/34/34/24/186343424.db2.gz SUVHWYUJYYNJJJ-JTQLQIEISA-N 0 3 281.787 2.088 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1[C@@H](CN)c1cccc(F)c1F ZINC000111039491 186346588 /nfs/dbraw/zinc/34/65/88/186346588.db2.gz NJMXZAWRKYWPBK-WDMOLILDSA-N 0 3 284.350 2.464 10 0 CEAEHN COc1ccc(N)cc1CN(C)C[C@H]1CCCOC1 ZINC000111154523 186361285 /nfs/dbraw/zinc/36/12/85/186361285.db2.gz FBCIEIQLBGKWSX-GFCCVEGCSA-N 0 3 264.369 2.136 10 0 CEAEHN COC(CN[C@H](C)Cc1c(F)cccc1F)OC ZINC000111112830 186353327 /nfs/dbraw/zinc/35/33/27/186353327.db2.gz JMOWRBCLYPBKQP-SECBINFHSA-N 0 3 259.296 2.104 10 0 CEAEHN CCN(C(=O)c1ccc(CN)cn1)c1ccccc1F ZINC000111282229 186388150 /nfs/dbraw/zinc/38/81/50/186388150.db2.gz GQLHQMNCPCZMCC-UHFFFAOYSA-N 0 3 273.311 2.346 10 0 CEAEHN Cc1ccnc2[nH]c([C@@H](N)Cc3ccc(O)cc3)nc21 ZINC000111279978 186388804 /nfs/dbraw/zinc/38/88/04/186388804.db2.gz MFRYXGXAJPQAOU-LBPRGKRZSA-N 0 3 268.320 2.214 10 0 CEAEHN Cc1ccc(CC(=O)N[C@@H]2c3ccccc3C[C@H]2N)cc1 ZINC000111367480 186406365 /nfs/dbraw/zinc/40/63/65/186406365.db2.gz FQWVYTPXZJIASC-SJLPKXTDSA-N 0 3 280.371 2.278 10 0 CEAEHN N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CC1CCCC1 ZINC000111367205 186406772 /nfs/dbraw/zinc/40/67/72/186406772.db2.gz HJBGHYIQJOEEIQ-ZBFHGGJFSA-N 0 3 258.365 2.308 10 0 CEAEHN C[C@H]1CSCCN1C[C@H](O)COCc1ccccc1 ZINC000070380155 363076949 /nfs/dbraw/zinc/07/69/49/363076949.db2.gz ASDVCNUWFPXZOI-ZFWWWQNUSA-N 0 3 281.421 2.001 10 0 CEAEHN C[C@@H]1CSCCN1C[C@H](O)COCc1ccccc1 ZINC000070380154 363077088 /nfs/dbraw/zinc/07/70/88/363077088.db2.gz ASDVCNUWFPXZOI-HIFRSBDPSA-N 0 3 281.421 2.001 10 0 CEAEHN CC(C)c1cc(N2CCNCC2)nc(-c2ccncc2)n1 ZINC000070451640 363083560 /nfs/dbraw/zinc/08/35/60/363083560.db2.gz WSJHCUFFGLTADI-UHFFFAOYSA-N 0 3 283.379 2.072 10 0 CEAEHN C[C@@H](NC[C@H](C)N1CCOCC1)c1ccccc1F ZINC000123211397 187077829 /nfs/dbraw/zinc/07/78/29/187077829.db2.gz CPJSFUCZQLSCRQ-QWHCGFSZSA-N 0 3 266.360 2.197 10 0 CEAEHN CC(C)n1ncnc1CNCC1C[C@@H](C)O[C@H](C)C1 ZINC000631126295 351976993 /nfs/dbraw/zinc/97/69/93/351976993.db2.gz IIJAOPXAWFHJBD-VXGBXAGGSA-N 0 3 266.389 2.152 10 0 CEAEHN Cc1cc(Cl)ccc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000152215253 188002989 /nfs/dbraw/zinc/00/29/89/188002989.db2.gz BXGUAZWLPPBOMW-CYBMUJFWSA-N 0 3 296.798 2.051 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251422821 539973589 /nfs/dbraw/zinc/97/35/89/539973589.db2.gz QDTCBHVXPPVHKT-XJFOESAGSA-N 0 3 252.402 2.125 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccc[nH]1)c1ccccc1 ZINC000155295061 188197600 /nfs/dbraw/zinc/19/76/00/188197600.db2.gz TXIPEEDLMGGONE-AWEZNQCLSA-N 0 3 257.337 2.047 10 0 CEAEHN COCc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000155535827 188212714 /nfs/dbraw/zinc/21/27/14/188212714.db2.gz LQGYTQUYDTVRTM-BBRMVZONSA-N 0 3 290.407 2.292 10 0 CEAEHN COc1ccc(F)cc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000155454962 188207812 /nfs/dbraw/zinc/20/78/12/188207812.db2.gz QOXQNPYRDJCZCD-RISCZKNCSA-N 0 3 294.370 2.293 10 0 CEAEHN COc1cc(F)c(NC(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000156116125 188243394 /nfs/dbraw/zinc/24/33/94/188243394.db2.gz WLZWBZNSHLQMQC-SECBINFHSA-N 0 3 299.321 2.141 10 0 CEAEHN CCc1ccccc1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000155758460 188226050 /nfs/dbraw/zinc/22/60/50/188226050.db2.gz QHNPCIIBHOLYTI-HNNXBMFYSA-N 0 3 275.396 2.095 10 0 CEAEHN CC(C)C1(NCc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000293012904 198495438 /nfs/dbraw/zinc/49/54/38/198495438.db2.gz OCLRYLXWEYMZPU-UHFFFAOYSA-N 0 3 296.436 2.215 10 0 CEAEHN CCCN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874541 283057721 /nfs/dbraw/zinc/05/77/21/283057721.db2.gz WJPNTDRUEBAYOI-ZDUSSCGKSA-N 0 3 268.426 2.463 10 0 CEAEHN O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCNC2(CCCCC2)C1 ZINC000400673852 540066751 /nfs/dbraw/zinc/06/67/51/540066751.db2.gz QNVGTJYOLKCZSY-BTTYYORXSA-N 0 3 262.397 2.167 10 0 CEAEHN CCc1ccc(O)c(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000133563672 366236774 /nfs/dbraw/zinc/23/67/74/366236774.db2.gz YPWDJACGXZJRFG-OAHLLOKOSA-N 0 3 262.353 2.425 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccns2)=C[C@H](N)C1 ZINC000675078494 540118977 /nfs/dbraw/zinc/11/89/77/540118977.db2.gz QDJRPSIXLAXDFC-JTQLQIEISA-N 0 3 281.381 2.105 10 0 CEAEHN CNCc1cc(I)c(F)cc1F ZINC000575515120 366293318 /nfs/dbraw/zinc/29/33/18/366293318.db2.gz OLNCVFOSJBPUEF-UHFFFAOYSA-N 0 3 283.059 2.289 10 0 CEAEHN CN1CC[C@@](N)(c2cscc2Br)C1 ZINC000575560350 366296426 /nfs/dbraw/zinc/29/64/26/366296426.db2.gz JAXRFMHQLDLGDB-VIFPVBQESA-N 0 3 261.188 2.000 10 0 CEAEHN COc1cc(CN[C@H](C)[C@@H]2CCCO2)cc2c1OCO2 ZINC000075782792 363489815 /nfs/dbraw/zinc/48/98/15/363489815.db2.gz CVFJPGCHJBENBA-PWSUYJOCSA-N 0 3 279.336 2.081 10 0 CEAEHN Cc1noc(C)c1CCN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000336284335 213122174 /nfs/dbraw/zinc/12/21/74/213122174.db2.gz GNKIGXBJZRNWBR-GOEBONIOSA-N 0 3 278.396 2.461 10 0 CEAEHN COc1cccc(CN[C@@H]2CCCCC[C@H]2O)c1OC ZINC000135658422 366464509 /nfs/dbraw/zinc/46/45/09/366464509.db2.gz QWCJEYGGTBJZSL-ZIAGYGMSSA-N 0 3 279.380 2.487 10 0 CEAEHN CN(CCOc1ccc(F)cc1)C(=O)[C@]1(C)CCCCN1 ZINC000136149095 366498006 /nfs/dbraw/zinc/49/80/06/366498006.db2.gz UFIHDIZDTUJQSZ-INIZCTEOSA-N 0 3 294.370 2.195 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1cccc(O)c1 ZINC000079726444 363623957 /nfs/dbraw/zinc/62/39/57/363623957.db2.gz VHMIEWWGZOQSON-CQSZACIVSA-N 0 3 293.411 2.168 10 0 CEAEHN O[C@H]1CCC[C@H](CN2CCOc3ccccc3C2)C1 ZINC000311637851 540457292 /nfs/dbraw/zinc/45/72/92/540457292.db2.gz KHBMJEDYVPMABU-ZFWWWQNUSA-N 0 3 261.365 2.432 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC000176965256 189017309 /nfs/dbraw/zinc/01/73/09/189017309.db2.gz GKFJMXXTSIOEGC-GFCCVEGCSA-N 0 3 283.803 2.235 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccsc1 ZINC000177005888 189020226 /nfs/dbraw/zinc/02/02/26/189020226.db2.gz FIETULLBBPTHED-CYBMUJFWSA-N 0 3 266.410 2.233 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1ccccc1OC ZINC000177025130 189021881 /nfs/dbraw/zinc/02/18/81/189021881.db2.gz MBEVLAVEEMYHJX-HNNXBMFYSA-N 0 3 290.407 2.180 10 0 CEAEHN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)C[C@@H]1CCOC1 ZINC000178773859 189144700 /nfs/dbraw/zinc/14/47/00/189144700.db2.gz PFKVPDOACGAUGO-ZNMIVQPWSA-N 0 3 290.407 2.221 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc([C@@H](C)O)cc1)N(C)C ZINC000179599504 189206408 /nfs/dbraw/zinc/20/64/08/189206408.db2.gz XELFMROXEKKKOX-IUODEOHRSA-N 0 3 278.396 2.086 10 0 CEAEHN CN1CCO[C@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000180489542 189257997 /nfs/dbraw/zinc/25/79/97/189257997.db2.gz FENUDAOCPUGTGP-CZUORRHYSA-N 0 3 274.408 2.329 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CCc2ncnn2C1 ZINC000180601433 189264923 /nfs/dbraw/zinc/26/49/23/189264923.db2.gz HHBHRGRNPTTYRA-OLZOCXBDSA-N 0 3 286.379 2.261 10 0 CEAEHN Cc1c(Cl)cccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000082286838 363759816 /nfs/dbraw/zinc/75/98/16/363759816.db2.gz OLNZVHUXPZAHEF-LLVKDONJSA-N 0 3 266.772 2.425 10 0 CEAEHN CCN(CC)c1c(CN)c(C)nn1-c1ccccc1 ZINC000011850758 361365820 /nfs/dbraw/zinc/36/58/20/361365820.db2.gz IAADQADKIFMZNM-UHFFFAOYSA-N 0 3 258.369 2.486 10 0 CEAEHN Oc1ccc2c(c1)O[C@H](CNCc1ccco1)CC2 ZINC000012355977 361379169 /nfs/dbraw/zinc/37/91/69/361379169.db2.gz VGDCLOXHDNBUQX-AWEZNQCLSA-N 0 3 259.305 2.469 10 0 CEAEHN C[C@@H](NC(=O)C(C)(C)N)C12CC3CC(CC(C3)C1)C2 ZINC000040920047 296038607 /nfs/dbraw/zinc/03/86/07/296038607.db2.gz HOXAHVWFGYEVDP-GYPVXTSCSA-N 0 3 264.413 2.445 10 0 CEAEHN Cc1ccc2nccc(N[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000302146503 201365995 /nfs/dbraw/zinc/36/59/95/201365995.db2.gz IEXHKTSTAYSTNM-NSHDSACASA-N 0 3 276.361 2.142 10 0 CEAEHN C[C@@H]1CO[C@H](c2ccc(Br)cc2)CN1 ZINC000032108959 361726574 /nfs/dbraw/zinc/72/65/74/361726574.db2.gz BTSSUSWSXIZMSK-KCJUWKMLSA-N 0 3 256.143 2.499 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1scnc1C1CC1 ZINC000089827353 364008602 /nfs/dbraw/zinc/00/86/02/364008602.db2.gz JXNZFTJRGZFAQZ-CMPLNLGQSA-N 0 3 291.420 2.329 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)c1ncc(Br)cn1 ZINC000092670744 364095881 /nfs/dbraw/zinc/09/58/81/364095881.db2.gz DWNUOQOGYVZGPT-LLVKDONJSA-N 0 3 299.216 2.160 10 0 CEAEHN CCN1CCC[C@H]1CN(C)c1cncc(Cl)n1 ZINC000092665288 364097463 /nfs/dbraw/zinc/09/74/63/364097463.db2.gz YNQPKROBPPWVSS-JTQLQIEISA-N 0 3 254.765 2.051 10 0 CEAEHN COc1c(CN2C[C@@H]3CCCC[C@H]3C2)c(C)nn1C ZINC000093442034 364181024 /nfs/dbraw/zinc/18/10/24/364181024.db2.gz OZJHDMMRVQWKJC-STQMWFEESA-N 0 3 263.385 2.359 10 0 CEAEHN O=[S@](c1nc2ccccc2nc1Cl)[C@@H]1CCCNC1 ZINC000095069763 364330076 /nfs/dbraw/zinc/33/00/76/364330076.db2.gz UHYBAPCJUWUVRV-AYLIAGHASA-N 0 3 295.795 2.143 10 0 CEAEHN COC[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000103430170 364652340 /nfs/dbraw/zinc/65/23/40/364652340.db2.gz KHIVRGSQBOFYLK-GOEBONIOSA-N 0 3 290.407 2.050 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)Cc1noc2ccccc21 ZINC000113226559 364876904 /nfs/dbraw/zinc/87/69/04/364876904.db2.gz DHNVGNAQZMMAQT-QWHCGFSZSA-N 0 3 299.374 2.065 10 0 CEAEHN CCCCc1noc(CN2C[C@H]3CCCN3C[C@@H]2C)n1 ZINC000113270301 364882077 /nfs/dbraw/zinc/88/20/77/364882077.db2.gz YFVWPHRZOZRRFR-QWHCGFSZSA-N 0 3 278.400 2.081 10 0 CEAEHN Cc1ccc([C@H](C)NCC[C@H]2CCS(=O)(=O)C2)o1 ZINC000680406418 541409115 /nfs/dbraw/zinc/40/91/15/541409115.db2.gz ZZMKNHIYNDQLKG-RYUDHWBXSA-N 0 3 271.382 2.063 10 0 CEAEHN Cn1cc([C@@H]2CCN(Cc3cccc4c3OCCO4)C2)cn1 ZINC000116311805 365050112 /nfs/dbraw/zinc/05/01/12/365050112.db2.gz ZKPDNQJIGNXBPP-CYBMUJFWSA-N 0 3 299.374 2.181 10 0 CEAEHN CC(C)CCOCCN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116407685 365053514 /nfs/dbraw/zinc/05/35/14/365053514.db2.gz BADUBYLONIDLED-CQSZACIVSA-N 0 3 265.401 2.272 10 0 CEAEHN C[C@@H](O)CN1CCN(CCSc2ccccc2)C[C@@H]1C ZINC000117879923 365129596 /nfs/dbraw/zinc/12/95/96/365129596.db2.gz KIGFEWQDOHKEJB-LSDHHAIUSA-N 0 3 294.464 2.166 10 0 CEAEHN Cc1ccc(C)c(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000118786382 365178874 /nfs/dbraw/zinc/17/88/74/365178874.db2.gz GAGNUZIVOHJVFJ-AWEZNQCLSA-N 0 3 291.395 2.098 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@@H]2CSc3ccccc32)C1 ZINC000118333822 365149965 /nfs/dbraw/zinc/14/99/65/365149965.db2.gz ABNNFIPAAHSDHC-TZMCWYRMSA-N 0 3 290.432 2.476 10 0 CEAEHN Cn1cccc1CNC(C)(C)CNC(=O)OC(C)(C)C ZINC000119055902 365207475 /nfs/dbraw/zinc/20/74/75/365207475.db2.gz CPUHNBHOXLDHPD-UHFFFAOYSA-N 0 3 281.400 2.418 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000119395348 365267748 /nfs/dbraw/zinc/26/77/48/365267748.db2.gz NSAQAGWOTDVYLB-OAHLLOKOSA-N 0 3 266.360 2.109 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2coc3ccccc23)C[C@@H]1C ZINC000120592552 365448350 /nfs/dbraw/zinc/44/83/50/365448350.db2.gz PYSDVJCZMCAXKF-UONOGXRCSA-N 0 3 288.391 2.320 10 0 CEAEHN Cc1ccc(CN2CC[C@@H](N3CCOCC3)C2)cc1C ZINC000121046568 365516677 /nfs/dbraw/zinc/51/66/77/365516677.db2.gz GINRKFABHVARSX-QGZVFWFLSA-N 0 3 274.408 2.210 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@H](O)COC(C)C)c1 ZINC000160240970 366985319 /nfs/dbraw/zinc/98/53/19/366985319.db2.gz DWLKHTUCKVATJL-ZFWWWQNUSA-N 0 3 251.370 2.432 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)Cc1c(C)noc1C)N(C)C ZINC000162673849 367177485 /nfs/dbraw/zinc/17/74/85/367177485.db2.gz BDVJFPVRWDWQJZ-YGRLFVJLSA-N 0 3 281.400 2.069 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)OCCC(C)C ZINC000245432407 370818983 /nfs/dbraw/zinc/81/89/83/370818983.db2.gz OIEVIRLCZURVCL-LSDHHAIUSA-N 0 3 284.444 2.380 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)CCSCC)N(C)C ZINC000162358414 367154784 /nfs/dbraw/zinc/15/47/84/367154784.db2.gz QQGVYJQSFPKGMM-NWDGAFQWSA-N 0 3 260.447 2.365 10 0 CEAEHN CCc1onc(C)c1NC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000245623911 370850007 /nfs/dbraw/zinc/85/00/07/370850007.db2.gz POEYACZNKMFCFM-PWSUYJOCSA-N 0 3 294.399 2.396 10 0 CEAEHN C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1cccnc1 ZINC000245596832 370846058 /nfs/dbraw/zinc/84/60/58/370846058.db2.gz ITAUSKGGBSVNRG-KNXALSJPSA-N 0 3 254.333 2.391 10 0 CEAEHN CC[C@H](C(=O)N1CCC[C@@H](c2nc(C)cs2)C1)N(C)C ZINC000163788377 367265168 /nfs/dbraw/zinc/26/51/68/367265168.db2.gz BXEQNENAKLJVEC-CHWSQXEVSA-N 0 3 295.452 2.498 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2ccc(C)cc2C)CC1 ZINC000164036355 367274244 /nfs/dbraw/zinc/27/42/44/367274244.db2.gz IDBCPXORWWDMOB-QGZVFWFLSA-N 0 3 276.424 2.192 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000163611942 367252115 /nfs/dbraw/zinc/25/21/15/367252115.db2.gz BULYPOHBAHCMLF-KFWWJZLASA-N 0 3 264.413 2.365 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccccc2OC(F)F)C1 ZINC000171071029 367471210 /nfs/dbraw/zinc/47/12/10/367471210.db2.gz BJOLXLBIODZVDK-JTQLQIEISA-N 0 3 299.321 2.456 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCc2cc(F)ccc2F)C1 ZINC000170855746 367431813 /nfs/dbraw/zinc/43/18/13/367431813.db2.gz KGZUGBFPDCVENY-CYBMUJFWSA-N 0 3 282.334 2.060 10 0 CEAEHN CCOc1ccc(CCC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170855702 367432967 /nfs/dbraw/zinc/43/29/67/367432967.db2.gz ZRMRSHLSZJNHCV-OAHLLOKOSA-N 0 3 290.407 2.180 10 0 CEAEHN Cc1cc2ccccc2n1CC(=O)N1CC[C@H](N(C)C)C1 ZINC000170858883 367433152 /nfs/dbraw/zinc/43/31/52/367433152.db2.gz DFMFMOJVBXQSEE-HNNXBMFYSA-N 0 3 285.391 2.112 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)COc2ccc3ccccc3c2)C1 ZINC000170863029 367433846 /nfs/dbraw/zinc/43/38/46/367433846.db2.gz FFULVLLPRNCEPZ-MRXNPFEDSA-N 0 3 298.386 2.381 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)c(F)c1 ZINC000170861255 367434664 /nfs/dbraw/zinc/43/46/64/367434664.db2.gz GXOVXZPZPUMBNA-CMPLNLGQSA-N 0 3 297.349 2.371 10 0 CEAEHN Cc1ccc2cc(C(=O)N3CC[C@@H](N(C)C)C3)[nH]c2c1 ZINC000170867552 367435874 /nfs/dbraw/zinc/43/58/74/367435874.db2.gz VPKFFNPDOGDXBZ-CYBMUJFWSA-N 0 3 271.364 2.252 10 0 CEAEHN Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000171303217 367519262 /nfs/dbraw/zinc/51/92/62/367519262.db2.gz BTGBTJFVVOWIBQ-OAHLLOKOSA-N 0 3 274.408 2.435 10 0 CEAEHN Cc1ccc(C(C)(C)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000171303212 367519360 /nfs/dbraw/zinc/51/93/60/367519360.db2.gz BTGBTJFVVOWIBQ-HNNXBMFYSA-N 0 3 274.408 2.435 10 0 CEAEHN C[C@H]1CN(CCC(=O)N2CCc3ccccc32)CCS1 ZINC000171695177 367596336 /nfs/dbraw/zinc/59/63/36/367596336.db2.gz OYAGNGBBEYNQQJ-ZDUSSCGKSA-N 0 3 290.432 2.403 10 0 CEAEHN Cn1cc(CN2CCCN([C@H]3C=CCCC3)CC2)cn1 ZINC000171746445 367609402 /nfs/dbraw/zinc/60/94/02/367609402.db2.gz XYUNMGKHBRNECI-INIZCTEOSA-N 0 3 274.412 2.037 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000171777965 367613209 /nfs/dbraw/zinc/61/32/09/367613209.db2.gz YKCBLUQXJYBADS-AWEZNQCLSA-N 0 3 283.375 2.458 10 0 CEAEHN O=C(NCc1ccc(Cl)cc1)N1CCN2CCC[C@H]2C1 ZINC000171807298 367619365 /nfs/dbraw/zinc/61/93/65/367619365.db2.gz LYFQUARRZKNHMH-AWEZNQCLSA-N 0 3 293.798 2.330 10 0 CEAEHN O=C(NCc1cccc(Cl)c1)N1CCN2CCC[C@@H]2C1 ZINC000171897294 367635861 /nfs/dbraw/zinc/63/58/61/367635861.db2.gz LOZUFKRRTJAJNK-CQSZACIVSA-N 0 3 293.798 2.330 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)c(F)cc1F ZINC000176288969 368219446 /nfs/dbraw/zinc/21/94/46/368219446.db2.gz RMTXHWOSAHDZGA-JTQLQIEISA-N 0 3 268.307 2.049 10 0 CEAEHN CCC[C@H](C)CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000180129692 368368077 /nfs/dbraw/zinc/36/80/77/368368077.db2.gz PAJXLGQJQLHWDH-ZFWWWQNUSA-N 0 3 265.401 2.329 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@H]1CN(C)CCO1)CCCO2 ZINC000180497543 368384955 /nfs/dbraw/zinc/38/49/55/368384955.db2.gz AEJMUTORNYENHP-GOEBONIOSA-N 0 3 290.407 2.129 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246041589 370902108 /nfs/dbraw/zinc/90/21/08/370902108.db2.gz RYZRXIMMWUGEHG-FRRDWIJNSA-N 0 3 294.345 2.279 10 0 CEAEHN C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000246123285 370912093 /nfs/dbraw/zinc/91/20/93/370912093.db2.gz IMQLUTGCJSNRCN-ZFWWWQNUSA-N 0 3 279.428 2.445 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)CCOC ZINC000186143227 368924367 /nfs/dbraw/zinc/92/43/67/368924367.db2.gz DWAHQOFHCNKUFP-CQSZACIVSA-N 0 3 299.459 2.175 10 0 CEAEHN COC(=O)[C@@]1(C)CCCN1CCCCCn1cc(C)cn1 ZINC000186365303 368964432 /nfs/dbraw/zinc/96/44/32/368964432.db2.gz MDRUAQWMZTUDIZ-MRXNPFEDSA-N 0 3 293.411 2.389 10 0 CEAEHN COC(=O)c1ccccc1CCN1CCS[C@@H](C)C1 ZINC000186954775 369073783 /nfs/dbraw/zinc/07/37/83/369073783.db2.gz LKVYRJFMWLJMSY-LBPRGKRZSA-N 0 3 279.405 2.453 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H]1CCCCO1 ZINC000249716383 284167240 /nfs/dbraw/zinc/16/72/40/284167240.db2.gz ITLRVVONLBXLPJ-XQLPTFJDSA-N 0 3 281.396 2.362 10 0 CEAEHN OCCN(Cc1ccc2ccccc2n1)CC1CC1 ZINC000352450794 369737123 /nfs/dbraw/zinc/73/71/23/369737123.db2.gz TYKXXGRKMGATQX-UHFFFAOYSA-N 0 3 256.349 2.439 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000192924517 369871972 /nfs/dbraw/zinc/87/19/72/369871972.db2.gz ZNXGNRVVFZBMQU-QWRGUYRKSA-N 0 3 283.334 2.437 10 0 CEAEHN C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000235325659 370562558 /nfs/dbraw/zinc/56/25/58/370562558.db2.gz OOJALXGIJMJYAU-RNCFNFMXSA-N 0 3 282.771 2.068 10 0 CEAEHN CS[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246905777 371029161 /nfs/dbraw/zinc/02/91/61/371029161.db2.gz APLLSKSKXUJPRN-JHJVBQTASA-N 0 3 285.457 2.006 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC000247366629 371098401 /nfs/dbraw/zinc/09/84/01/371098401.db2.gz OWMCCCRJBJUECF-YCPHGPKFSA-N 0 3 290.407 2.299 10 0 CEAEHN CCCCCCOCC(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247468248 371112383 /nfs/dbraw/zinc/11/23/83/371112383.db2.gz RLHNVSKFHKWFAC-CABCVRRESA-N 0 3 282.428 2.278 10 0 CEAEHN C[C@H](c1cccc(F)c1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247537891 371122717 /nfs/dbraw/zinc/12/27/17/371122717.db2.gz CSLLQFDDCTZNLU-HZSPNIEDSA-N 0 3 280.387 2.274 10 0 CEAEHN Cc1csc2c1ncnc2N1CCN2CCC[C@H]2C1 ZINC000248664775 371233075 /nfs/dbraw/zinc/23/30/75/371233075.db2.gz KKLCPTVYDJFBCH-NSHDSACASA-N 0 3 274.393 2.284 10 0 CEAEHN Cn1cc([C@H]2CCCN2C[C@@H](O)C2CCCCC2)cn1 ZINC000248992984 371281013 /nfs/dbraw/zinc/28/10/13/371281013.db2.gz YSYRNGHMJPXCNC-HZPDHXFCSA-N 0 3 277.412 2.498 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H]1CC(C)(C)CO1 ZINC000639493466 371359437 /nfs/dbraw/zinc/35/94/37/371359437.db2.gz ZEWIFBSJNLFAJL-ILXRZTDVSA-N 0 3 266.429 2.360 10 0 CEAEHN COC(=O)c1ccc([C@@H](C)N2CCN3CCCC[C@H]3C2)o1 ZINC000251571668 371406523 /nfs/dbraw/zinc/40/65/23/371406523.db2.gz UTIGHDCGUVFEQY-OLZOCXBDSA-N 0 3 292.379 2.297 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000237005304 189858112 /nfs/dbraw/zinc/85/81/12/189858112.db2.gz HPKMXZYOOLLPIK-QMTHXVAHSA-N 0 3 291.395 2.009 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H](O)c1ccccc1 ZINC000252661643 371463501 /nfs/dbraw/zinc/46/35/01/371463501.db2.gz NJNKXOZYLOKOLR-PVAVHDDUSA-N 0 3 274.408 2.279 10 0 CEAEHN Cc1ccnc(N2C[C@H](C)NC[C@H]2C)c1Br ZINC000261533987 371639666 /nfs/dbraw/zinc/63/96/66/371639666.db2.gz MQOAEAPTIYKYKL-VHSXEESVSA-N 0 3 284.201 2.339 10 0 CEAEHN CCC(CC)CN(CC)C(=O)[C@@H](N)C1CCOCC1 ZINC000261705295 371707055 /nfs/dbraw/zinc/70/70/55/371707055.db2.gz IKOUEHSUGCDVMS-AWEZNQCLSA-N 0 3 270.417 2.025 10 0 CEAEHN C[C@@H]1CCC[C@H](CCNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261774239 371728887 /nfs/dbraw/zinc/72/88/87/371728887.db2.gz MMGOEZHMDJVDAF-UMVBOHGHSA-N 0 3 282.428 2.073 10 0 CEAEHN CCC(=O)c1ccc(C(=O)N2CCCC[C@H]2CN)cc1 ZINC000262540217 371874183 /nfs/dbraw/zinc/87/41/83/371874183.db2.gz FRPSWFDVGFIQCP-AWEZNQCLSA-N 0 3 274.364 2.233 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000262707928 371899682 /nfs/dbraw/zinc/89/96/82/371899682.db2.gz NVCRHLRJTYGLLU-GZBFAFLISA-N 0 3 295.427 2.152 10 0 CEAEHN CCC[C@](C)(N)C(=O)NCCCc1cccc(OC)c1 ZINC000262715672 371900897 /nfs/dbraw/zinc/90/08/97/371900897.db2.gz UWEQMEYNWVFCCM-INIZCTEOSA-N 0 3 278.396 2.262 10 0 CEAEHN C[C@@H]1NCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)[C@H]1C ZINC000262741824 371904544 /nfs/dbraw/zinc/90/45/44/371904544.db2.gz DUOLWTJVCVBKJU-YRRQLQLVSA-N 0 3 294.345 2.277 10 0 CEAEHN C[C@@H]1NCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H]1C ZINC000262741822 371904635 /nfs/dbraw/zinc/90/46/35/371904635.db2.gz DUOLWTJVCVBKJU-XRRVDJEJSA-N 0 3 294.345 2.277 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(Cl)cc2)CCCN1 ZINC000643614743 373221141 /nfs/dbraw/zinc/22/11/41/373221141.db2.gz JNKNEQWVMDQKQM-ZDUSSCGKSA-N 0 3 268.744 2.047 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cc(Cl)ccc2C)CCCN1 ZINC000643616577 373222631 /nfs/dbraw/zinc/22/26/31/373222631.db2.gz AEDJJRSVMARVED-CQSZACIVSA-N 0 3 282.771 2.356 10 0 CEAEHN CC[C@@H](NC(=O)[C@@H]1CNCCC1(F)F)c1ccccc1 ZINC000644016979 373340382 /nfs/dbraw/zinc/34/03/82/373340382.db2.gz XYVANJDDPYHGAB-QWHCGFSZSA-N 0 3 282.334 2.499 10 0 CEAEHN CCC1CCC(NC(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000644017663 373342904 /nfs/dbraw/zinc/34/29/04/373342904.db2.gz FITAFRBSPPQOLH-MCIGGMRASA-N 0 3 274.355 2.316 10 0 CEAEHN C[C@@H](NC(=O)C(N)C(F)(F)F)c1cc(F)ccc1F ZINC000645391552 374023989 /nfs/dbraw/zinc/02/39/89/374023989.db2.gz WBUOXVUAYNXUKK-MLUIRONXSA-N 0 3 282.212 2.032 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC2([S@](C)=O)CC2)c1C ZINC000380188127 375159823 /nfs/dbraw/zinc/15/98/23/375159823.db2.gz VIIYLKXEWQKHIV-DGIBIBHMSA-N 0 3 283.441 2.082 10 0 CEAEHN COc1c(CN[C@@H]2C[C@H]2CC(C)C)c(C)nn1C ZINC000385785173 375244040 /nfs/dbraw/zinc/24/40/40/375244040.db2.gz CXLBGUYAELIBND-DGCLKSJQSA-N 0 3 251.374 2.261 10 0 CEAEHN COc1cc(C)c(CN2CCC[C@H](O)[C@@H]2C)cc1OC ZINC000384927618 375221391 /nfs/dbraw/zinc/22/13/91/375221391.db2.gz RYZPSFNDPZCZBK-JSGCOSHPSA-N 0 3 279.380 2.357 10 0 CEAEHN C[C@@H]1[C@@H](O)CCCN1CCOc1ccccc1F ZINC000384960112 375222014 /nfs/dbraw/zinc/22/20/14/375222014.db2.gz WNRJNCSIZLZCPS-YPMHNXCESA-N 0 3 253.317 2.050 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cccc(Cl)c1F ZINC000282342825 375460716 /nfs/dbraw/zinc/46/07/16/375460716.db2.gz MEZWOXOKOFGYEJ-LDYMZIIASA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cccc(Br)c1 ZINC000282247114 375439420 /nfs/dbraw/zinc/43/94/20/375439420.db2.gz GKDAEHFITUJIAK-SKDRFNHKSA-N 0 3 297.196 2.206 10 0 CEAEHN C[C@@H](CNCc1ccn(C)c1)N(C)C(=O)OC(C)(C)C ZINC000282614909 375530289 /nfs/dbraw/zinc/53/02/89/375530289.db2.gz FDLLQXOAZSBUHW-LBPRGKRZSA-N 0 3 281.400 2.370 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1cc(F)ccc1F ZINC000282417542 375480007 /nfs/dbraw/zinc/48/00/07/375480007.db2.gz QPEYMUYURAILLW-RVBZMBCESA-N 0 3 268.307 2.283 10 0 CEAEHN CCN1CC[C@@H](N[C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509327 376852216 /nfs/dbraw/zinc/85/22/16/376852216.db2.gz MVOJFXNSBPIGOP-BLLLJJGKSA-N 0 3 275.396 2.390 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccn1)[C@H](N)c1ccccc1 ZINC000131611274 249315966 /nfs/dbraw/zinc/31/59/66/249315966.db2.gz HMBRYFWVNJHYJM-RISCZKNCSA-N 0 3 255.321 2.356 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cccc3cnccc32)C1 ZINC000167387459 542215071 /nfs/dbraw/zinc/21/50/71/542215071.db2.gz OTXVFNWXLFLYMP-INIZCTEOSA-N 0 3 285.391 2.045 10 0 CEAEHN CC[C@H](O)CN1CCN(CC(C)(C)c2ccccc2)CC1 ZINC000180163464 542261860 /nfs/dbraw/zinc/26/18/60/542261860.db2.gz MRAVZQSIQZJIHM-KRWDZBQOSA-N 0 3 290.451 2.353 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2c[nH]nc2C)C12CCOCC2 ZINC000186314583 542308784 /nfs/dbraw/zinc/30/87/84/542308784.db2.gz IXOWLVRIFRPZKS-NILFDRSVSA-N 0 3 293.411 2.343 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171897442 296333727 /nfs/dbraw/zinc/33/37/27/296333727.db2.gz FWNSEZFAYKHNIW-MCIONIFRSA-N 0 3 265.401 2.055 10 0 CEAEHN CCc1ccc(CN)cc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000088913076 184614417 /nfs/dbraw/zinc/61/44/17/184614417.db2.gz HRDLIULYMLPZMA-GFCCVEGCSA-N 0 3 296.436 2.128 10 0 CEAEHN CCN1C[C@H](NCc2ccc(Br)o2)[C@@H](C)C1 ZINC000381296591 542352069 /nfs/dbraw/zinc/35/20/69/542352069.db2.gz GQZNTNRRUXMGFN-ONGXEEELSA-N 0 3 287.201 2.472 10 0 CEAEHN CCOc1ccccc1[C@H](N)CSC1COC1 ZINC000092712984 184622735 /nfs/dbraw/zinc/62/27/35/184622735.db2.gz XGUNVVIXZQNTBV-GFCCVEGCSA-N 0 3 253.367 2.217 10 0 CEAEHN CCNCc1c(N(CC)CC(C)(C)O)nc2ccccn21 ZINC000092971207 184639441 /nfs/dbraw/zinc/63/94/41/184639441.db2.gz HJDTXUPNQVHMPR-UHFFFAOYSA-N 0 3 290.411 2.041 10 0 CEAEHN Cn1cc(CNC2CC2)c(-c2ccc3c(c2)OCO3)n1 ZINC000093297275 184661168 /nfs/dbraw/zinc/66/11/68/184661168.db2.gz BWDSXPXKSJSCTD-UHFFFAOYSA-N 0 3 271.320 2.068 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2coc(C3CCC3)n2)[C@@H](C)C1 ZINC000194677397 542362282 /nfs/dbraw/zinc/36/22/82/542362282.db2.gz WAFMNQPDAWLROW-AAEUAGOBSA-N 0 3 291.395 2.401 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000245473641 285239234 /nfs/dbraw/zinc/23/92/34/285239234.db2.gz QEDKHMLKNAQYPI-HRCADAONSA-N 0 3 295.471 2.192 10 0 CEAEHN COC(=O)c1coc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000281286481 195181296 /nfs/dbraw/zinc/18/12/96/195181296.db2.gz OTCFPOBJPXHYSS-ZSBIGDGJSA-N 0 3 281.352 2.359 10 0 CEAEHN CN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1C ZINC000081978193 177909852 /nfs/dbraw/zinc/90/98/52/177909852.db2.gz GMLIZBHQONDGHQ-JSGCOSHPSA-N 0 3 267.394 2.299 10 0 CEAEHN CC[C@H]1CCCN(C(=O)N[C@@H]2CCCN(CC)C2)C1 ZINC000194176350 270293806 /nfs/dbraw/zinc/29/38/06/270293806.db2.gz QRDIOXDUXNEWDP-UONOGXRCSA-N 0 3 267.417 2.302 10 0 CEAEHN C[C@@H]1CN(C)C[C@]1(O)c1ccc(Br)cc1 ZINC000521401980 256845228 /nfs/dbraw/zinc/84/52/28/256845228.db2.gz UPXSLLBSSCNPTI-BXKDBHETSA-N 0 3 270.170 2.218 10 0 CEAEHN CN[C@]1(C(=O)[O-])CCC[C@@H]([N@H+](CC(C)C)C2CC2)C1 ZINC000093751829 184714057 /nfs/dbraw/zinc/71/40/57/184714057.db2.gz OUGHXVLBRDCEFL-UKRRQHHQSA-N 0 3 268.401 2.092 10 0 CEAEHN CN[C@]1(C(=O)[O-])CCC[C@@H]([N@@H+](CC(C)C)C2CC2)C1 ZINC000093751829 184714058 /nfs/dbraw/zinc/71/40/58/184714058.db2.gz OUGHXVLBRDCEFL-UKRRQHHQSA-N 0 3 268.401 2.092 10 0 CEAEHN CCCN[C@H](c1cnccc1C)[C@@H]1CN(CC)CCO1 ZINC000093915518 184741877 /nfs/dbraw/zinc/74/18/77/184741877.db2.gz HAHLRXRAZCCPAD-JKSUJKDBSA-N 0 3 277.412 2.151 10 0 CEAEHN CC[C@](C)(N)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000094233404 184766983 /nfs/dbraw/zinc/76/69/83/184766983.db2.gz DOZFAEYBKCSTFX-HNNXBMFYSA-N 0 3 277.368 2.347 10 0 CEAEHN CC[C@](C)(N)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000094232639 184767159 /nfs/dbraw/zinc/76/71/59/184767159.db2.gz PVDACOOSVXIUMA-HNNXBMFYSA-N 0 3 278.352 2.318 10 0 CEAEHN CC(C)NCc1cc(F)c(OC[C@@H](C)O)c(F)c1 ZINC000094347334 184786279 /nfs/dbraw/zinc/78/62/79/184786279.db2.gz WLSMSPZDTLOOKB-SECBINFHSA-N 0 3 259.296 2.222 10 0 CEAEHN CN(C)C1(C(=O)[C@@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000094394193 184792635 /nfs/dbraw/zinc/79/26/35/184792635.db2.gz NOKXFGIJRXTKOQ-CQSZACIVSA-N 0 3 295.423 2.406 10 0 CEAEHN CCN[C@@H](c1cccc(OC)c1)[C@@H]1CSCCO1 ZINC000094503397 184811816 /nfs/dbraw/zinc/81/18/16/184811816.db2.gz KPUAMNSMQRNRHS-KBPBESRZSA-N 0 3 267.394 2.478 10 0 CEAEHN CCCOc1ccc(CNC)c(O[C@@H](C)[C@@H](C)O)c1 ZINC000094652919 184834859 /nfs/dbraw/zinc/83/48/59/184834859.db2.gz ZXYHGEXUTZYPCO-NEPJUHHUSA-N 0 3 267.369 2.343 10 0 CEAEHN c1nc2n(n1)CCC[C@@H]2NCCCc1ccc2c(c1)CCO2 ZINC000191104935 130183418 /nfs/dbraw/zinc/18/34/18/130183418.db2.gz ZAYTWUGAZXAMLS-HNNXBMFYSA-N 0 3 298.390 2.270 10 0 CEAEHN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000262115135 131192227 /nfs/dbraw/zinc/19/22/27/131192227.db2.gz IHFVMMRBAJSGNI-LEWSCRJBSA-N 0 3 282.359 2.001 10 0 CEAEHN CCC[C@@](C)(N)C(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000262717042 131255407 /nfs/dbraw/zinc/25/54/07/131255407.db2.gz VZOBATWBZGVOQI-AUUYWEPGSA-N 0 3 282.409 2.021 10 0 CEAEHN C[C@H]1CNCCN1c1ccc(F)cc1Br ZINC000083086688 135013994 /nfs/dbraw/zinc/01/39/94/135013994.db2.gz CKPGBEGDVRBTFK-QMMMGPOBSA-N 0 3 273.149 2.386 10 0 CEAEHN C[C@@H]1CN(c2ccc(F)cc2Br)CCN1 ZINC000083061212 135014197 /nfs/dbraw/zinc/01/41/97/135014197.db2.gz FZMFJELQTTZGLE-MRVPVSSYSA-N 0 3 273.149 2.386 10 0 CEAEHN C[C@@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccco1 ZINC000089733168 135060362 /nfs/dbraw/zinc/06/03/62/135060362.db2.gz KYSIUIVHHLVCOI-OLZOCXBDSA-N 0 3 272.352 2.389 10 0 CEAEHN Cc1cccc(COc2ccccc2N2CCNCC2)n1 ZINC000092432399 135076088 /nfs/dbraw/zinc/07/60/88/135076088.db2.gz VQHDVFIDCISVSO-UHFFFAOYSA-N 0 3 283.375 2.379 10 0 CEAEHN NC(=S)c1c(F)cccc1N1CCN2CCCC[C@@H]2C1 ZINC000094440020 135087938 /nfs/dbraw/zinc/08/79/38/135087938.db2.gz YMZFNCOQMRYIEH-LLVKDONJSA-N 0 3 293.411 2.134 10 0 CEAEHN c1cc(N2CCN3CCCC[C@@H]3C2)cc(CNC2CC2)n1 ZINC000094443200 135088507 /nfs/dbraw/zinc/08/85/07/135088507.db2.gz UGNICELTUQMBKI-QGZVFWFLSA-N 0 3 286.423 2.008 10 0 CEAEHN CC(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)NC(N)=O)cc1 ZINC000048433731 394517062 /nfs/dbraw/zinc/51/70/62/394517062.db2.gz RIRRMEOGOBWDHW-MNOVXSKESA-N 0 3 277.368 2.044 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000246482842 394516691 /nfs/dbraw/zinc/51/66/91/394516691.db2.gz WYCVGIWVBJYVNX-CHWSQXEVSA-N 0 3 290.473 2.071 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCc2ccsc2)C1 ZINC000052525969 394558196 /nfs/dbraw/zinc/55/81/96/394558196.db2.gz WQGOKRJLLSMAAE-ZDUSSCGKSA-N 0 3 281.425 2.074 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCSCC[C@H]2C)C1 ZINC000253281263 394576928 /nfs/dbraw/zinc/57/69/28/394576928.db2.gz WODUGIDHADTUIZ-MCIONIFRSA-N 0 3 299.484 2.252 10 0 CEAEHN CC(C)N1CCC[C@H](N2CC[C@]3(O)CCCC[C@H]3C2)C1=O ZINC000247123023 394527262 /nfs/dbraw/zinc/52/72/62/394527262.db2.gz AMOLIRULAJVDIG-YQQAZPJKSA-N 0 3 294.439 2.013 10 0 CEAEHN Clc1ccccc1CNC[C@H]1Cn2ccnc2CO1 ZINC000096296262 394678749 /nfs/dbraw/zinc/67/87/49/394678749.db2.gz CXWWMZDBPOZKLH-LBPRGKRZSA-N 0 3 277.755 2.225 10 0 CEAEHN CCNc1ncc(C(=O)N[C@H](CC(C)C)CN(C)C)s1 ZINC000129743803 394873398 /nfs/dbraw/zinc/87/33/98/394873398.db2.gz HFQHEQXPPIACOK-LLVKDONJSA-N 0 3 298.456 2.281 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(CC2CCCCC2)CC1 ZINC000123459382 394828320 /nfs/dbraw/zinc/82/83/20/394828320.db2.gz CTCSXOOQAIAYMT-MRXNPFEDSA-N 0 3 268.445 2.345 10 0 CEAEHN C[C@@](O)(CN1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152330286 394993528 /nfs/dbraw/zinc/99/35/28/394993528.db2.gz BCHLWYDQBSWDKH-ZWKOTPCHSA-N 0 3 298.386 2.442 10 0 CEAEHN CC1CCN(CCN2CCO[C@H](c3nccs3)C2)CC1 ZINC000153686613 395014836 /nfs/dbraw/zinc/01/48/36/395014836.db2.gz UMAXCIXVCIIKFB-AWEZNQCLSA-N 0 3 295.452 2.248 10 0 CEAEHN Cc1cc([C@H](C)NC[C@H]2CN(C)CCO2)cs1 ZINC000294212898 395269283 /nfs/dbraw/zinc/26/92/83/395269283.db2.gz MRZAOLDPFSFYEM-AAEUAGOBSA-N 0 3 254.399 2.038 10 0 CEAEHN CCCCOC[C@H](O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000195188512 395461580 /nfs/dbraw/zinc/46/15/80/395461580.db2.gz UNQVVJNNFXXLSB-HUUCEWRRSA-N 0 3 281.400 2.114 10 0 CEAEHN CCCCOC[C@H](O)CN(C)C[C@@H](C)c1nccs1 ZINC000195216541 395462041 /nfs/dbraw/zinc/46/20/41/395462041.db2.gz OAMBNHUFJYJJMD-CHWSQXEVSA-N 0 3 286.441 2.356 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC000194625801 395444217 /nfs/dbraw/zinc/44/42/17/395444217.db2.gz RONRWJLFGOFHDV-HUUCEWRRSA-N 0 3 290.407 2.363 10 0 CEAEHN Oc1cccc2c1CC[C@@H]2NCCc1cnccn1 ZINC000390194511 400540378 /nfs/dbraw/zinc/54/03/78/400540378.db2.gz KHWPBHOFNCCYCH-AWEZNQCLSA-N 0 3 255.321 2.002 10 0 CEAEHN CCOCCN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105918189 286075718 /nfs/dbraw/zinc/07/57/18/286075718.db2.gz YDGNSPLGINVQTE-AWEZNQCLSA-N 0 3 298.452 2.090 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](SCC)C1 ZINC000262460817 289259664 /nfs/dbraw/zinc/25/96/64/289259664.db2.gz JSYVGZKRVUDIMV-WOPDTQHZSA-N 0 3 258.431 2.294 10 0 CEAEHN Cn1cc([C@@H]2CCCN2C[C@H](O)C2CCCCC2)cn1 ZINC000191333677 153168892 /nfs/dbraw/zinc/16/88/92/153168892.db2.gz YSYRNGHMJPXCNC-HOTGVXAUSA-N 0 3 277.412 2.498 10 0 CEAEHN CN(C(=O)CN1CCC(c2ccn[nH]2)CC1)c1ccccc1 ZINC000195506924 153292443 /nfs/dbraw/zinc/29/24/43/153292443.db2.gz BZRJCRBJISWLKT-UHFFFAOYSA-N 0 3 298.390 2.252 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(C2CCCCCCC2)n1 ZINC000263193579 154030601 /nfs/dbraw/zinc/03/06/01/154030601.db2.gz IELDCINIMITYHM-CYBMUJFWSA-N 0 3 278.400 2.474 10 0 CEAEHN CCOc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282475364 286569370 /nfs/dbraw/zinc/56/93/70/286569370.db2.gz WQTSOSLSTWJBPA-SLEUVZQESA-N 0 3 276.380 2.403 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)CSc2ccncc2)C1 ZINC000247045099 162478452 /nfs/dbraw/zinc/47/84/52/162478452.db2.gz IDKRUHWWCLNCJG-TZMCWYRMSA-N 0 3 293.436 2.019 10 0 CEAEHN CCOc1c(F)cccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000173098967 165066694 /nfs/dbraw/zinc/06/66/94/165066694.db2.gz YTKYKSULWXNVPE-GFCCVEGCSA-N 0 3 292.354 2.145 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)CCCC2CCCC2)CCO1 ZINC000173522783 165073094 /nfs/dbraw/zinc/07/30/94/165073094.db2.gz VXZLYNWAXKVSTN-OAHLLOKOSA-N 0 3 282.428 2.136 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)NC1CCC(C)CC1 ZINC000175358168 165132944 /nfs/dbraw/zinc/13/29/44/165132944.db2.gz KWZUBUUUAHYIPC-GPANFISMSA-N 0 3 295.471 2.097 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000177022885 165180887 /nfs/dbraw/zinc/18/08/87/165180887.db2.gz RCHHFVNXPFWNOA-HUUCEWRRSA-N 0 3 292.427 2.004 10 0 CEAEHN CCCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000176970488 165182338 /nfs/dbraw/zinc/18/23/38/165182338.db2.gz CCVTZZKNIKXHFW-KBPBESRZSA-N 0 3 270.417 2.134 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCOCCC(C)C ZINC000177442298 165201421 /nfs/dbraw/zinc/20/14/21/165201421.db2.gz UFHZBWBWXIPSPS-HNNXBMFYSA-N 0 3 299.459 2.175 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000177696241 165205033 /nfs/dbraw/zinc/20/50/33/165205033.db2.gz SEECWBMAQFLXDA-GOEBONIOSA-N 0 3 295.471 2.240 10 0 CEAEHN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)C1CCC1 ZINC000178492344 165244943 /nfs/dbraw/zinc/24/49/43/165244943.db2.gz JNZYQKRLHZQEPV-CMPLNLGQSA-N 0 3 264.373 2.038 10 0 CEAEHN CCCCC[C@@H](CC)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000180862892 165320718 /nfs/dbraw/zinc/32/07/18/165320718.db2.gz PLODTHQISWELNI-HUUCEWRRSA-N 0 3 284.444 2.382 10 0 CEAEHN COc1ccccc1CN(C)[C@H](CN)c1ccco1 ZINC000020225259 171087077 /nfs/dbraw/zinc/08/70/77/171087077.db2.gz KTEKBFNCSKDJPG-CYBMUJFWSA-N 0 3 260.337 2.420 10 0 CEAEHN C[C@H](N)c1ccccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000020419475 171184489 /nfs/dbraw/zinc/18/44/89/171184489.db2.gz GLNMPXZYHWHHTR-RYUDHWBXSA-N 0 3 262.353 2.096 10 0 CEAEHN CCC(C)(C)OCC(=O)Nc1ccccc1CN ZINC000020508861 171229414 /nfs/dbraw/zinc/22/94/14/171229414.db2.gz PJUBEDCJLQIQKL-UHFFFAOYSA-N 0 3 250.342 2.289 10 0 CEAEHN C[C@H](OC(C)(C)C)C(=O)Nc1cccc(CN)c1 ZINC000020508671 171229618 /nfs/dbraw/zinc/22/96/18/171229618.db2.gz UKYMRJFJPFTUOF-JTQLQIEISA-N 0 3 250.342 2.287 10 0 CEAEHN c1cc(CNCc2ccc3c(c2)OCCO3)cc2c1OCO2 ZINC000020876114 171277178 /nfs/dbraw/zinc/27/71/78/171277178.db2.gz XVRFQTDTAAZELX-UHFFFAOYSA-N 0 3 299.326 2.476 10 0 CEAEHN C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(CN)c2)[C@@H]1C ZINC000022173424 171369352 /nfs/dbraw/zinc/36/93/52/171369352.db2.gz BFQDKNSJDNTJNV-JMSVASOKSA-N 0 3 296.436 2.248 10 0 CEAEHN Cc1ccsc1[C@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000022175136 171370063 /nfs/dbraw/zinc/37/00/63/171370063.db2.gz MDPAFPAXNWVLIR-TUAOUCFPSA-N 0 3 254.399 2.166 10 0 CEAEHN CC1CCN(C[C@H](N)c2ccc3c(c2)OCO3)CC1 ZINC000022562911 171390971 /nfs/dbraw/zinc/39/09/71/171390971.db2.gz GHARZRGVTDKFNS-ZDUSSCGKSA-N 0 3 262.353 2.147 10 0 CEAEHN CCOc1ccc([C@H](N)CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022566263 171391993 /nfs/dbraw/zinc/39/19/93/171391993.db2.gz LPXFXYVTPRAHRH-HEHGZKQESA-N 0 3 278.396 2.194 10 0 CEAEHN CC[C@H](C)C(=O)Nc1sc2c(c1C(=O)OC)CCNC2 ZINC000035216880 172057837 /nfs/dbraw/zinc/05/78/37/172057837.db2.gz KYLRNMKZIKNUIA-QMMMGPOBSA-N 0 3 296.392 2.165 10 0 CEAEHN CNCc1c(N2CCCC[C@H]2C)nc2sccn12 ZINC000035429601 172198603 /nfs/dbraw/zinc/19/86/03/172198603.db2.gz TXOIFLHRIHZVDD-SNVBAGLBSA-N 0 3 264.398 2.494 10 0 CEAEHN CC[C@H](C)CN(C)c1nc2sccn2c1CN ZINC000035430275 172199267 /nfs/dbraw/zinc/19/92/67/172199267.db2.gz KTTIQAYRQLSQGY-VIFPVBQESA-N 0 3 252.387 2.337 10 0 CEAEHN CCCCCN(C)c1nc2sccn2c1CN ZINC000035430252 172199348 /nfs/dbraw/zinc/19/93/48/172199348.db2.gz HLBAVFVHYQOPEJ-UHFFFAOYSA-N 0 3 252.387 2.481 10 0 CEAEHN CN[C@@H](c1cc(OC)ccc1OC)[C@H]1CCCO1 ZINC000035466743 172214825 /nfs/dbraw/zinc/21/48/25/172214825.db2.gz GEOLBTYJAHCSEG-KGLIPLIRSA-N 0 3 251.326 2.143 10 0 CEAEHN CN[C@@H](CC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000035501779 172236733 /nfs/dbraw/zinc/23/67/33/172236733.db2.gz BIPIZYQDKUTXSH-VIFPVBQESA-N 0 3 274.242 2.230 10 0 CEAEHN CNCc1c(C)nn(C)c1N(C)Cc1ccsc1 ZINC000035719593 172373843 /nfs/dbraw/zinc/37/38/43/172373843.db2.gz PKHKHSQDELCQCJ-UHFFFAOYSA-N 0 3 264.398 2.146 10 0 CEAEHN CN[C@@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@@H]1C ZINC000035760922 172399104 /nfs/dbraw/zinc/39/91/04/172399104.db2.gz VJZSNXQNUZJVEL-CPCISQLKSA-N 0 3 259.758 2.024 10 0 CEAEHN Cc1ncsc1[C@@H](C)N[C@@H](C)Cn1ccnc1 ZINC000037320426 173121198 /nfs/dbraw/zinc/12/11/98/173121198.db2.gz OVVABXQZEJGNEZ-GXSJLCMTSA-N 0 3 250.371 2.387 10 0 CEAEHN CC(C)[C@@H](NC(=O)CNC1CC1)c1cccs1 ZINC000037395408 173175700 /nfs/dbraw/zinc/17/57/00/173175700.db2.gz FMJNTHGDXBHACZ-CYBMUJFWSA-N 0 3 252.383 2.313 10 0 CEAEHN CCn1c2cccc(F)c2nc1[C@@H]1C[C@H](OC)CN1 ZINC000037442686 173211014 /nfs/dbraw/zinc/21/10/14/173211014.db2.gz IJYQTHOYSPPYHS-ONGXEEELSA-N 0 3 263.316 2.245 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccc(C)cc1OC ZINC000037769428 173700621 /nfs/dbraw/zinc/70/06/21/173700621.db2.gz RMXWMPVMGHQCLD-LLVKDONJSA-N 0 3 250.342 2.330 10 0 CEAEHN C[C@@](NC1CCCC1)(C(N)=O)c1ccc(F)cc1 ZINC000037969362 173917667 /nfs/dbraw/zinc/91/76/67/173917667.db2.gz IIIZFJICEPZLRV-AWEZNQCLSA-N 0 3 250.317 2.058 10 0 CEAEHN C[C@H](CNc1ccc(Cl)nn1)N1CCCCC1 ZINC000038029323 174019722 /nfs/dbraw/zinc/01/97/22/174019722.db2.gz PHXVYOMDQBUQRK-SNVBAGLBSA-N 0 3 254.765 2.416 10 0 CEAEHN CCOC(=O)C1(N[C@@H](C)CC)CCN(C(C)C)CC1 ZINC000038067423 174079374 /nfs/dbraw/zinc/07/93/74/174079374.db2.gz AFLVZQXHMCURES-ZDUSSCGKSA-N 0 3 270.417 2.181 10 0 CEAEHN C[C@@H](CN[C@H](c1cccs1)c1nccn1C)N(C)C ZINC000038087561 174099331 /nfs/dbraw/zinc/09/93/31/174099331.db2.gz YNFYFWSBPMHXCD-WCQYABFASA-N 0 3 278.425 2.111 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@H](O)COC(C)(C)C)o1 ZINC000038097790 174112801 /nfs/dbraw/zinc/11/28/01/174112801.db2.gz GXXUMGCJZHPCHY-RYUDHWBXSA-N 0 3 255.358 2.415 10 0 CEAEHN COc1ccc(Br)cc1[C@@H](CO)NC(C)C ZINC000038115820 174125644 /nfs/dbraw/zinc/12/56/44/174125644.db2.gz JAZILRXJDVQASJ-LLVKDONJSA-N 0 3 288.185 2.489 10 0 CEAEHN CCN1C(=O)/C(=C(C)/C=C2\CCCN2C)OC1=S ZINC000038614061 174149819 /nfs/dbraw/zinc/14/98/19/174149819.db2.gz LEOSWUSPSSGMKS-GOOGBFEESA-N 0 3 266.366 2.034 10 0 CEAEHN COc1ccc([C@H](C)NC(=O)[C@](C)(N)C2CC2)cc1OC ZINC000040491285 174292290 /nfs/dbraw/zinc/29/22/90/174292290.db2.gz LUAGOTWCZHEYAT-MGPLVRAMSA-N 0 3 292.379 2.008 10 0 CEAEHN CCN1CCC[C@@H](NCc2ccccc2C(=O)OC)C1 ZINC000040502762 174299297 /nfs/dbraw/zinc/29/92/97/174299297.db2.gz QTXPRIAGZBTAGR-CQSZACIVSA-N 0 3 276.380 2.047 10 0 CEAEHN CCCCCNC(=O)[C@@H](C)NCCOCCCC ZINC000040507332 174303207 /nfs/dbraw/zinc/30/32/07/174303207.db2.gz APDDISKWVJGXOK-CYBMUJFWSA-N 0 3 258.406 2.088 10 0 CEAEHN CCCCOCCOc1nc(C)cc(C)c1CN ZINC000040509691 174303882 /nfs/dbraw/zinc/30/38/82/174303882.db2.gz ARPQQRNQBYQIQI-UHFFFAOYSA-N 0 3 252.358 2.353 10 0 CEAEHN CCCC[C@@H](N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519131 174308739 /nfs/dbraw/zinc/30/87/39/174308739.db2.gz HGHOVURMLSKXOO-GXSJLCMTSA-N 0 3 269.414 2.455 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccccc2C(C)C)C1 ZINC000040630074 174357969 /nfs/dbraw/zinc/35/79/69/174357969.db2.gz CDEKXQUWXJALSG-FZMZJTMJSA-N 0 3 262.353 2.125 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2cccc(OCC(C)C)c2)C1 ZINC000040634215 174360442 /nfs/dbraw/zinc/36/04/42/174360442.db2.gz NYZJWIWLFXMHSA-HUUCEWRRSA-N 0 3 292.379 2.037 10 0 CEAEHN Cc1csc2nc(C)c(CN[C@@H]3CCCN(C)C3)n12 ZINC000040672903 174370984 /nfs/dbraw/zinc/37/09/84/174370984.db2.gz YGVTYGJQULXAEC-GFCCVEGCSA-N 0 3 278.425 2.196 10 0 CEAEHN CCOC1CCN(CCc2nc3cc(N)ccc3[nH]2)CC1 ZINC000040678423 174374871 /nfs/dbraw/zinc/37/48/71/174374871.db2.gz LPUGIUFAGKJXHC-UHFFFAOYSA-N 0 3 288.395 2.189 10 0 CEAEHN CCCNCc1c(C)nn(C)c1N1CCC(OCC)CC1 ZINC000040689843 174376330 /nfs/dbraw/zinc/37/63/30/174376330.db2.gz MFZWHWUOEIZJPR-UHFFFAOYSA-N 0 3 294.443 2.233 10 0 CEAEHN CN1CCC[C@H](Nc2ccc(N)c3cccnc23)C1 ZINC000040715782 174382616 /nfs/dbraw/zinc/38/26/16/174382616.db2.gz BGFYSYKQOFYIPJ-NSHDSACASA-N 0 3 256.353 2.323 10 0 CEAEHN Cc1cc(=O)n(C[C@H](N)c2ccc(C(C)C)cc2)cn1 ZINC000040728036 174387745 /nfs/dbraw/zinc/38/77/45/174387745.db2.gz PFIRETYIDAXJFF-HNNXBMFYSA-N 0 3 271.364 2.375 10 0 CEAEHN CN(C(=O)C1CCCCCC1)[C@H](CN)C(F)(F)F ZINC000662978431 414817088 /nfs/dbraw/zinc/81/70/88/414817088.db2.gz PKSQORLAKMCYJR-SNVBAGLBSA-N 0 3 266.307 2.305 10 0 CEAEHN CN(C)[C@@H](CNCc1ncc(Cl)s1)C1CC1 ZINC000309625245 414855034 /nfs/dbraw/zinc/85/50/34/414855034.db2.gz GGGBKRJPKVIYED-VIFPVBQESA-N 0 3 259.806 2.226 10 0 CEAEHN CN1C[C@@H](CNCc2cccc(Cl)c2F)CC1=O ZINC000657697693 415052245 /nfs/dbraw/zinc/05/22/45/415052245.db2.gz RHDBOKWWADMPHG-SECBINFHSA-N 0 3 270.735 2.047 10 0 CEAEHN COc1cc(CNC2CC(CO)C2)ccc1OC(C)C ZINC000657808542 415088054 /nfs/dbraw/zinc/08/80/54/415088054.db2.gz KMQXFTISMJQBAW-UHFFFAOYSA-N 0 3 279.380 2.343 10 0 CEAEHN CC[C@H](N)[C@H](c1ccc(F)cc1)N(C)CC(=O)NC(C)C ZINC000042915683 174916025 /nfs/dbraw/zinc/91/60/25/174916025.db2.gz KLMARJCNTUDBCV-HOCLYGCPSA-N 0 3 295.402 2.061 10 0 CEAEHN COc1cccc([C@H](CN)N(C)Cc2cc(C)on2)c1 ZINC000043027065 174947055 /nfs/dbraw/zinc/94/70/55/174947055.db2.gz KRPKHRXHNTWDKR-HNNXBMFYSA-N 0 3 275.352 2.123 10 0 CEAEHN CCN[C@@H](c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300903 175001292 /nfs/dbraw/zinc/00/12/92/175001292.db2.gz VJXJDYLEOJEYAQ-DZGCQCFKSA-N 0 3 281.421 2.389 10 0 CEAEHN CCN[C@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300908 175001724 /nfs/dbraw/zinc/00/17/24/175001724.db2.gz BNVXDJIKDOLZID-WCQYABFASA-N 0 3 287.812 2.425 10 0 CEAEHN COc1ccc([O-])c(C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000043327676 175009094 /nfs/dbraw/zinc/00/90/94/175009094.db2.gz PTRCQPDMYWHAJJ-UHFFFAOYSA-N 0 3 272.304 2.112 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccco1)N(C)CCc1ccccn1 ZINC000043334604 175010381 /nfs/dbraw/zinc/01/03/81/175010381.db2.gz HQDSWRCYBVMNSU-DOMZBBRYSA-N 0 3 259.353 2.237 10 0 CEAEHN C[C@H](N)[C@@H](c1ccco1)N(C)CCc1ccccn1 ZINC000043334603 175010703 /nfs/dbraw/zinc/01/07/03/175010703.db2.gz HQDSWRCYBVMNSU-WFASDCNBSA-N 0 3 259.353 2.237 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccco1)N(C)C[C@@H]1CCCCO1 ZINC000043335728 175011509 /nfs/dbraw/zinc/01/15/09/175011509.db2.gz HCPOCRDUWJQCCI-DYEKYZERSA-N 0 3 252.358 2.169 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000043364280 175024738 /nfs/dbraw/zinc/02/47/38/175024738.db2.gz OVBLBXAUTRRORV-RGCMKSIDSA-N 0 3 266.385 2.476 10 0 CEAEHN CCOC1CCN([C@H](c2ccc(C)o2)[C@H](C)N)CC1 ZINC000043364575 175025752 /nfs/dbraw/zinc/02/57/52/175025752.db2.gz RFKZRUJECSQEGH-WFASDCNBSA-N 0 3 266.385 2.477 10 0 CEAEHN Cc1ccc([C@@H](CN)Oc2ccc3c(c2)OCO3)o1 ZINC000043366599 175027136 /nfs/dbraw/zinc/02/71/36/175027136.db2.gz BJDSYSZFHHDJBL-CQSZACIVSA-N 0 3 261.277 2.396 10 0 CEAEHN Cc1ccc([C@H](CN)Oc2ccc(S(C)(=O)=O)cc2)o1 ZINC000043366988 175027313 /nfs/dbraw/zinc/02/73/13/175027313.db2.gz ICGWDFNPQXETQV-AWEZNQCLSA-N 0 3 295.360 2.070 10 0 CEAEHN Cc1cc(C)cc([C@H](CN)N2CCSCC2)c1 ZINC000043393952 175034752 /nfs/dbraw/zinc/03/47/52/175034752.db2.gz XTXDECQGDIRQAV-AWEZNQCLSA-N 0 3 250.411 2.352 10 0 CEAEHN CC[C@H](C)N(CCOC)c1nc(C)ccc1CN ZINC000043395999 175035724 /nfs/dbraw/zinc/03/57/24/175035724.db2.gz QMWIRHLZUSYCDI-LBPRGKRZSA-N 0 3 251.374 2.100 10 0 CEAEHN CC[C@H](N[C@@H]1CCNC1=O)c1cccc(Br)c1 ZINC000658052649 415175606 /nfs/dbraw/zinc/17/56/06/415175606.db2.gz FQPYPRVMZHJNQH-NWDGAFQWSA-N 0 3 297.196 2.378 10 0 CEAEHN CCN[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000043811517 175110867 /nfs/dbraw/zinc/11/08/67/175110867.db2.gz SLXMCYHPCJPUSZ-VBQJREDUSA-N 0 3 292.423 2.455 10 0 CEAEHN CN[C@@H](CN(C)CCOC)c1cc2ccccc2o1 ZINC000043915582 175125116 /nfs/dbraw/zinc/12/51/16/175125116.db2.gz OCOLEGXRXWKZIO-ZDUSSCGKSA-N 0 3 262.353 2.272 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966164 175127981 /nfs/dbraw/zinc/12/79/81/175127981.db2.gz QPMMTRBJCOZGSE-YSVLISHTSA-N 0 3 290.407 2.209 10 0 CEAEHN CCCN[C@@H]1c2ccccc2OC[C@@H]1N(C)[C@@H](C)COC ZINC000043969531 175130305 /nfs/dbraw/zinc/13/03/05/175130305.db2.gz ONJLETLKZPEUNQ-JLJPHGGASA-N 0 3 292.423 2.455 10 0 CEAEHN CCn1cc([C@@H](C)N[C@H]2CCCN(CC)C2)cn1 ZINC000044500066 175185139 /nfs/dbraw/zinc/18/51/39/175185139.db2.gz RKUXVVUJFIZESQ-OCCSQVGLSA-N 0 3 250.390 2.038 10 0 CEAEHN CCCNC(=O)CCN[C@@H]1CCOc2ccc(OC)cc21 ZINC000045072879 175302212 /nfs/dbraw/zinc/30/22/12/175302212.db2.gz QJTRJJYRIVCYMI-CQSZACIVSA-N 0 3 292.379 2.025 10 0 CEAEHN C[C@H](CNC(=O)[C@@H]1C[C@@H](C)Nc2ccccc21)N(C)C ZINC000045109892 175309487 /nfs/dbraw/zinc/30/94/87/175309487.db2.gz XXKNQLWZVIUXMC-YRGRVCCFSA-N 0 3 275.396 2.041 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)N[C@H](CO)CC(C)C ZINC000045172212 175321541 /nfs/dbraw/zinc/32/15/41/175321541.db2.gz PXYIPCUVRNPODC-MFKMUULPSA-N 0 3 253.390 2.095 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCCCCCC1)NC1CC1 ZINC000045223707 175331178 /nfs/dbraw/zinc/33/11/78/175331178.db2.gz JUOUXJWRKDSTCE-MRXNPFEDSA-N 0 3 282.428 2.326 10 0 CEAEHN CCOC(=O)[C@@](C)(CCN1CCC(C)CC1)NC(C)C ZINC000045225581 175333025 /nfs/dbraw/zinc/33/30/25/175333025.db2.gz IYJUYCUPBADGSX-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCN[C@@](C)(CCN1CCCCC1)C(=O)OCC ZINC000045230120 175334102 /nfs/dbraw/zinc/33/41/02/175334102.db2.gz VYXRCAZRFJCZBK-HNNXBMFYSA-N 0 3 270.417 2.184 10 0 CEAEHN CCC[NH+](CCC)CC[C@@](C)(NC(C)C)C(=O)[O-] ZINC000045230413 175334576 /nfs/dbraw/zinc/33/45/76/175334576.db2.gz NSRGUIGULUAAIH-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN(CCC)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045230413 175334577 /nfs/dbraw/zinc/33/45/77/175334577.db2.gz NSRGUIGULUAAIH-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC(CC)N(C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045269583 175341593 /nfs/dbraw/zinc/34/15/93/175341593.db2.gz SYVSENPQZDMHLE-QGZVFWFLSA-N 0 3 292.423 2.395 10 0 CEAEHN CCN[C@@](C)(CCN1CCC(CC)CC1)C(=O)OC ZINC000045281447 175351993 /nfs/dbraw/zinc/35/19/93/175351993.db2.gz OUKDMPIJKZOBPH-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CN(CCC(=O)c1cnccn1)Cc1ccccc1 ZINC000045336388 175360825 /nfs/dbraw/zinc/36/08/25/175360825.db2.gz YSOUZVBGINGWBX-UHFFFAOYSA-N 0 3 255.321 2.181 10 0 CEAEHN CCOC(=O)[C@@H](CN(C)C1CCCCCC1)NC1CC1 ZINC000045419112 175377122 /nfs/dbraw/zinc/37/71/22/175377122.db2.gz ULCLDSZOQPHGGG-OAHLLOKOSA-N 0 3 282.428 2.325 10 0 CEAEHN CCN(CCCC[C@@](C)(N)C(N)=O)c1cccc(F)c1 ZINC000045421318 175379703 /nfs/dbraw/zinc/37/97/03/175379703.db2.gz GRGPPNBRVDMTLY-OAHLLOKOSA-N 0 3 281.375 2.025 10 0 CEAEHN C[C@@H](c1cccc(Br)c1)N1CCC[C@H](N)C1=O ZINC000070494955 175956546 /nfs/dbraw/zinc/95/65/46/175956546.db2.gz HWDCQYHSLLWNAC-CABZTGNLSA-N 0 3 297.196 2.460 10 0 CEAEHN CC(C)N1C(=O)CC[C@@H](N)[C@@H]1c1cccc(F)c1 ZINC000070987007 176018398 /nfs/dbraw/zinc/01/83/98/176018398.db2.gz UVFXPDNQEXEJIK-OCCSQVGLSA-N 0 3 250.317 2.225 10 0 CEAEHN Cc1ccc([C@H](C)N2CC[C@H](NC3CC3)C2=O)s1 ZINC000071032295 176023688 /nfs/dbraw/zinc/02/36/88/176023688.db2.gz LAZJOWPKVJEHKC-JQWIXIFHSA-N 0 3 264.394 2.470 10 0 CEAEHN CCCN[C@H]1CCN(c2nc(C(C)C)cs2)C1=O ZINC000071033799 176024272 /nfs/dbraw/zinc/02/42/72/176024272.db2.gz OCIDHIBBXYNCNI-JTQLQIEISA-N 0 3 267.398 2.371 10 0 CEAEHN C[C@@H](c1cccc(F)c1)N1CC[C@H](NC2CC2)C1=O ZINC000071034920 176024602 /nfs/dbraw/zinc/02/46/02/176024602.db2.gz GSZALWPIFVLEAJ-HZMBPMFUSA-N 0 3 262.328 2.240 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1CCc1ccc(Cl)cc1 ZINC000071034431 176024981 /nfs/dbraw/zinc/02/49/81/176024981.db2.gz BNPPHHKAQUWVKT-CQSZACIVSA-N 0 3 278.783 2.235 10 0 CEAEHN C[C@H](Cc1ccsc1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071035438 176025366 /nfs/dbraw/zinc/02/53/66/176025366.db2.gz GGARVPJNALLYHV-BXUZGUMPSA-N 0 3 278.421 2.422 10 0 CEAEHN COc1ccc(Cl)cc1N1CC[C@H](NC2CC2)C1=O ZINC000071035965 176025681 /nfs/dbraw/zinc/02/56/81/176025681.db2.gz DOSKPXFMIQZYLT-NSHDSACASA-N 0 3 280.755 2.206 10 0 CEAEHN Cc1ccc(N2CC[C@H](NC(C)C)C2=O)c(F)c1 ZINC000071038841 176027374 /nfs/dbraw/zinc/02/73/74/176027374.db2.gz IQTKMBYUMWMDEQ-LBPRGKRZSA-N 0 3 250.317 2.237 10 0 CEAEHN C[C@@H](Cc1cccs1)N1CC[C@H](NC2CC2)C1=O ZINC000071043800 176029822 /nfs/dbraw/zinc/02/98/22/176029822.db2.gz SEJBPTSSDCSBQC-GWCFXTLKSA-N 0 3 264.394 2.032 10 0 CEAEHN C[C@H](Cn1ccnc1)NC[C@H]1OCCc2ccccc21 ZINC000071090883 176031483 /nfs/dbraw/zinc/03/14/83/176031483.db2.gz FXXVMILERCASHJ-CZUORRHYSA-N 0 3 271.364 2.175 10 0 CEAEHN CCOC(=O)CCNCc1ccc2c(c1)CC(C)(C)O2 ZINC000071170370 176050942 /nfs/dbraw/zinc/05/09/42/176050942.db2.gz KNJSKYWGKGWHOM-UHFFFAOYSA-N 0 3 277.364 2.443 10 0 CEAEHN CN[C@H](C)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000071209874 176082198 /nfs/dbraw/zinc/08/21/98/176082198.db2.gz NIMWVPWWQVUMJM-ZOWXZIJZSA-N 0 3 296.436 2.434 10 0 CEAEHN CCOC(=O)CCCCCn1nc(C)c(CNC)c1C ZINC000071297839 176112571 /nfs/dbraw/zinc/11/25/71/176112571.db2.gz BDOZAZHVKIEBLK-UHFFFAOYSA-N 0 3 281.400 2.343 10 0 CEAEHN c1cc(CNC2=NC[C@H](C3CC3)S2)cc2c1OCO2 ZINC000071308077 176116379 /nfs/dbraw/zinc/11/63/79/176116379.db2.gz UVDHZVQKDCCQRL-CYBMUJFWSA-N 0 3 276.361 2.386 10 0 CEAEHN CN[C@@H](C)c1cccc(N2C(=O)c3ccncc3C2=O)c1 ZINC000071336820 176128457 /nfs/dbraw/zinc/12/84/57/176128457.db2.gz YYPPGDYYQYLWQM-JTQLQIEISA-N 0 3 281.315 2.163 10 0 CEAEHN Cc1cccnc1CNC[C@](C)(O)c1ccccc1 ZINC000071340132 176129991 /nfs/dbraw/zinc/12/99/91/176129991.db2.gz PHHGGXBYIBVOTD-INIZCTEOSA-N 0 3 256.349 2.387 10 0 CEAEHN C[C@H](c1cccs1)N(C)CCn1ccc(N)n1 ZINC000071378062 176142776 /nfs/dbraw/zinc/14/27/76/176142776.db2.gz SJUFXMSYORGFJW-SNVBAGLBSA-N 0 3 250.371 2.220 10 0 CEAEHN COCCN(Cc1cc(C)ccc1N)[C@H](C)COC ZINC000071383894 176146911 /nfs/dbraw/zinc/14/69/11/176146911.db2.gz FFUHEZXGYAEWHJ-CYBMUJFWSA-N 0 3 266.385 2.061 10 0 CEAEHN Cc1ccncc1NC(=O)[C@H](CN)Cc1ccccc1 ZINC000071414055 176158904 /nfs/dbraw/zinc/15/89/04/176158904.db2.gz RXXATQWLNDEJTO-AWEZNQCLSA-N 0 3 269.348 2.146 10 0 CEAEHN CC(C)Oc1ccc2c(ccn(CCN(C)C)c2=O)c1 ZINC000071501254 176191978 /nfs/dbraw/zinc/19/19/78/176191978.db2.gz FMDFPCSPVPEEJH-UHFFFAOYSA-N 0 3 274.364 2.350 10 0 CEAEHN N[C@H](CO)c1ccc(Br)c(Cl)c1 ZINC000072199136 176339853 /nfs/dbraw/zinc/33/98/53/176339853.db2.gz MAQPLFXZWZJVQQ-MRVPVSSYSA-N 0 3 250.523 2.095 10 0 CEAEHN CN[C@@H](C(=O)c1c(C)cc(OC)cc1OC)C(C)C ZINC000076372369 177008274 /nfs/dbraw/zinc/00/82/74/177008274.db2.gz GLULGVVOPKRINU-CQSZACIVSA-N 0 3 265.353 2.439 10 0 CEAEHN C[C@H](NCC1(O)CCCCC1)C(=O)Nc1ccccc1 ZINC000078515919 177349072 /nfs/dbraw/zinc/34/90/72/177349072.db2.gz QHCAVFZDTDICNW-ZDUSSCGKSA-N 0 3 276.380 2.298 10 0 CEAEHN Cc1cc(N[C@@H](C)CS(C)(=O)=O)c2ccccc2n1 ZINC000078637863 177363091 /nfs/dbraw/zinc/36/30/91/177363091.db2.gz WZMUBFBFRYCELJ-NSHDSACASA-N 0 3 278.377 2.388 10 0 CEAEHN CCOc1cc2c(cc1CNCC[C@@H](C)O)O[C@@H](C)C2 ZINC000078781953 177387663 /nfs/dbraw/zinc/38/76/63/177387663.db2.gz YXNOVPBJOSIUAN-NEPJUHHUSA-N 0 3 279.380 2.269 10 0 CEAEHN Cc1ccccc1N1CCN(c2ncccc2CN)CC1 ZINC000665887181 419469624 /nfs/dbraw/zinc/46/96/24/419469624.db2.gz PQVOHFAKTNVAJG-UHFFFAOYSA-N 0 3 282.391 2.175 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188662174 262335713 /nfs/dbraw/zinc/33/57/13/262335713.db2.gz FDKRHKCIIYAFKM-KBPBESRZSA-N 0 3 297.443 2.070 10 0 CEAEHN CSCCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000192932974 270282052 /nfs/dbraw/zinc/28/20/52/270282052.db2.gz SABNIWJBDLZBOG-ZDUSSCGKSA-N 0 3 266.410 2.159 10 0 CEAEHN CCC(CC)NC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000193015690 270282502 /nfs/dbraw/zinc/28/25/02/270282502.db2.gz ZGHZHCQHSHTQSX-ZDUSSCGKSA-N 0 3 257.422 2.451 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(Cl)cn1C ZINC000193267203 270283716 /nfs/dbraw/zinc/28/37/16/270283716.db2.gz HEVCAXVVFSAACX-LBPRGKRZSA-N 0 3 285.819 2.385 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1cscn1 ZINC000194272277 270295329 /nfs/dbraw/zinc/29/53/29/270295329.db2.gz AAPMUCWOTWUSEZ-GFCCVEGCSA-N 0 3 298.456 2.261 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(COC)c2)C1 ZINC000194335722 270296753 /nfs/dbraw/zinc/29/67/53/270296753.db2.gz QREUSBSJTFGCDS-HNNXBMFYSA-N 0 3 291.395 2.439 10 0 CEAEHN CCC[C@H](C(=O)NCCC[C@@H]1CCCCO1)N(C)C ZINC000183431950 276037991 /nfs/dbraw/zinc/03/79/91/276037991.db2.gz KENDZEVVFSGHOU-UONOGXRCSA-N 0 3 270.417 2.182 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)C[C@H](O)c1ccccc1)N(C)C ZINC000154185873 276039147 /nfs/dbraw/zinc/03/91/47/276039147.db2.gz WNGLRJGUGJYXJD-BMFZPTHFSA-N 0 3 292.423 2.345 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000236940812 276043551 /nfs/dbraw/zinc/04/35/51/276043551.db2.gz CEWFPTARQNQZRC-AWEZNQCLSA-N 0 3 291.395 2.121 10 0 CEAEHN CC1(C)CCCN[C@@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000232827451 276106435 /nfs/dbraw/zinc/10/64/35/276106435.db2.gz AAKVQDQTWUXJCF-DZGCQCFKSA-N 0 3 288.391 2.405 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CCO1 ZINC000183784759 276277891 /nfs/dbraw/zinc/27/78/91/276277891.db2.gz ZDYTWXXAVWBSPV-XUWVNRHRSA-N 0 3 294.439 2.277 10 0 CEAEHN CN1CCO[C@@H](CN[C@H]2CCSc3ccc(F)cc32)C1 ZINC000246378734 277120078 /nfs/dbraw/zinc/12/00/78/277120078.db2.gz JWHLPNNQOMCATB-JSGCOSHPSA-N 0 3 296.411 2.283 10 0 CEAEHN CC(C)C[C@H](N)C(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000236729568 277488733 /nfs/dbraw/zinc/48/87/33/277488733.db2.gz SJMLMXLDJWADCC-KKUMJFAQSA-N 0 3 276.380 2.006 10 0 CEAEHN COc1cccc2c1CC[C@@H](N[C@H]1CCCn3ncnc31)C2 ZINC000192444368 278032687 /nfs/dbraw/zinc/03/26/87/278032687.db2.gz RLINFABYJSENNL-HIFRSBDPSA-N 0 3 298.390 2.269 10 0 CEAEHN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177244419 278349735 /nfs/dbraw/zinc/34/97/35/278349735.db2.gz ZSXXBXCDBWVJKG-ZWNOBZJWSA-N 0 3 299.296 2.446 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C)C1 ZINC000263524260 279059627 /nfs/dbraw/zinc/05/96/27/279059627.db2.gz SNRSGZRAJBCBOL-WMUDQEJXSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)C[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000248905122 279086600 /nfs/dbraw/zinc/08/66/00/279086600.db2.gz UTWKAVUZQQZQBK-MJBXVCDLSA-N 0 3 252.402 2.364 10 0 CEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000245857906 279282974 /nfs/dbraw/zinc/28/29/74/279282974.db2.gz NYOAIXMZKAQFFL-IIAWOOMASA-N 0 3 290.407 2.191 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N(CC(C)C)C1CC1 ZINC000177710251 279327112 /nfs/dbraw/zinc/32/71/12/279327112.db2.gz IKLDVDVRERSUQI-INIZCTEOSA-N 0 3 295.471 2.050 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C/c1cccnc1 ZINC000128931490 279899213 /nfs/dbraw/zinc/89/92/13/279899213.db2.gz QLEHRLSDHWEYDV-MVGZEHJDSA-N 0 3 275.396 2.187 10 0 CEAEHN C[C@@H]1CCC[C@@H](CCN2CCCNC(=O)[C@@H]2C)C1 ZINC000189277123 280147711 /nfs/dbraw/zinc/14/77/11/280147711.db2.gz AXISNPXKDRZUOS-RDBSUJKOSA-N 0 3 252.402 2.413 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCCOC(C)C ZINC000193066341 280184752 /nfs/dbraw/zinc/18/47/52/280184752.db2.gz GFCRHHLQYBYLLD-CQSZACIVSA-N 0 3 287.448 2.077 10 0 CEAEHN COc1cccc2c1CCC[C@@H]2N[C@@H]1CCc2ncnn2C1 ZINC000194921773 280199119 /nfs/dbraw/zinc/19/91/19/280199119.db2.gz NEWRQXXGIROJJU-DOMZBBRYSA-N 0 3 298.390 2.269 10 0 CEAEHN C[C@@H]1CCC[C@@H](CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000245992621 280269350 /nfs/dbraw/zinc/26/93/50/280269350.db2.gz AARAHJQYKIFCQD-MGPQQGTHSA-N 0 3 267.417 2.158 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000248490497 280350240 /nfs/dbraw/zinc/35/02/40/280350240.db2.gz NMYAIGAGYFLZRI-OWCLPIDISA-N 0 3 277.412 2.410 10 0 CEAEHN CC(=O)N[C@H]1CCCN(Cc2ccc(C)s2)C1 ZINC000153848075 289125275 /nfs/dbraw/zinc/12/52/75/289125275.db2.gz MQTOCHISEGOLLR-LBPRGKRZSA-N 0 3 252.383 2.157 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000153941774 289128478 /nfs/dbraw/zinc/12/84/78/289128478.db2.gz JUHHAWLXPJTEPM-CQSZACIVSA-N 0 3 271.364 2.268 10 0 CEAEHN CCc1noc(C)c1NC(=O)N(C)C[C@H]1CCCN1CC ZINC000155338298 289172057 /nfs/dbraw/zinc/17/20/57/289172057.db2.gz NTWKNXQXTDVCRD-GFCCVEGCSA-N 0 3 294.399 2.493 10 0 CEAEHN CCc1ncc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000155373696 289172811 /nfs/dbraw/zinc/17/28/11/289172811.db2.gz SCMVMKQSSPMRPA-QWRGUYRKSA-N 0 3 281.425 2.164 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](C)Oc1cccc(F)c1)N(C)C ZINC000162319336 297450711 /nfs/dbraw/zinc/45/07/11/297450711.db2.gz FJUGHPWTOFZISE-IUODEOHRSA-N 0 3 296.386 2.440 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C)N(C)C ZINC000162378481 312648417 /nfs/dbraw/zinc/64/84/17/312648417.db2.gz SDMQRKBHZSBHJA-LALPHHSUSA-N 0 3 270.417 2.037 10 0 CEAEHN CC(C)NCc1ccoc1CN1CCSCC1 ZINC000052425534 519727619 /nfs/dbraw/zinc/72/76/19/519727619.db2.gz MOVQEMAQFOPDCJ-UHFFFAOYSA-N 0 3 254.399 2.326 10 0 CEAEHN CCNCc1cc(CN2CCSCC2)c(C)o1 ZINC000052443301 519989587 /nfs/dbraw/zinc/98/95/87/519989587.db2.gz BODRUZVMRMMGKC-UHFFFAOYSA-N 0 3 254.399 2.246 10 0 CEAEHN CCCN[C@@H](Cc1ccc(Cl)cc1)CS(C)(=O)=O ZINC000052789169 520012732 /nfs/dbraw/zinc/01/27/32/520012732.db2.gz XJNUZNPOEXEDAB-ZDUSSCGKSA-N 0 3 289.828 2.295 10 0 CEAEHN CCNCc1coc(CN2CCCSCC2)c1 ZINC000052371105 520019144 /nfs/dbraw/zinc/01/91/44/520019144.db2.gz OKXZRFJXLFKXCL-UHFFFAOYSA-N 0 3 254.399 2.328 10 0 CEAEHN CCCN[C@H](CCN(CC)c1ccccc1C)C(N)=O ZINC000062438003 520070900 /nfs/dbraw/zinc/07/09/00/520070900.db2.gz LDHKAMRZXJQXJW-CQSZACIVSA-N 0 3 277.412 2.065 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCc1ncon1 ZINC000062746814 520076505 /nfs/dbraw/zinc/07/65/05/520076505.db2.gz UQJCCFKQFCCEAX-VIFPVBQESA-N 0 3 265.288 2.458 10 0 CEAEHN CCN[C@@H](C)c1cnn([C@H]2CCCC[C@@H]2O)c1C ZINC000054600083 520079842 /nfs/dbraw/zinc/07/98/42/520079842.db2.gz LISHDHPLCBFZLD-BPNCWPANSA-N 0 3 251.374 2.338 10 0 CEAEHN CCN[C@H](C)c1cnn([C@H]2CCCC[C@@H]2O)c1C ZINC000054600084 520181673 /nfs/dbraw/zinc/18/16/73/520181673.db2.gz LISHDHPLCBFZLD-SWHYSGLUSA-N 0 3 251.374 2.338 10 0 CEAEHN CCNc1ncccc1CN(CCO)C(CC)CC ZINC000052729124 520376514 /nfs/dbraw/zinc/37/65/14/520376514.db2.gz JCCWFQPYRAXJFE-UHFFFAOYSA-N 0 3 265.401 2.496 10 0 CEAEHN CCOC(=O)C[C@]1(N2CCOCC2)CC[C@@H](C)C[C@@H]1C ZINC000068633907 520901967 /nfs/dbraw/zinc/90/19/67/520901967.db2.gz HNVYSZJPBMCNBC-IJEWVQPXSA-N 0 3 283.412 2.467 10 0 CEAEHN CCC(CC)CN(CC)S(=O)(=O)C[C@H]1CCCCN1 ZINC000049631329 521522061 /nfs/dbraw/zinc/52/20/61/521522061.db2.gz ZIEBGPNNSHFUOI-CQSZACIVSA-N 0 3 290.473 2.216 10 0 CEAEHN CCC(CC)N(CCOC)Cc1ccnc(C(N)=S)c1 ZINC000068752565 521558728 /nfs/dbraw/zinc/55/87/28/521558728.db2.gz GJEJFZKXCUMWIR-UHFFFAOYSA-N 0 3 295.452 2.353 10 0 CEAEHN COCC[C@H](N)c1nc(-c2cccs2)c(C)[nH]1 ZINC000052811180 521951081 /nfs/dbraw/zinc/95/10/81/521951081.db2.gz ZDMWECIMLDOMKW-VIFPVBQESA-N 0 3 251.355 2.483 10 0 CEAEHN COCC[C@H](N)c1nc(C)c(-c2cccs2)[nH]1 ZINC000052811180 521951086 /nfs/dbraw/zinc/95/10/86/521951086.db2.gz ZDMWECIMLDOMKW-VIFPVBQESA-N 0 3 251.355 2.483 10 0 CEAEHN CC[C@@H]1CNCCN1c1ccccc1OC(F)F ZINC000083415201 535825229 /nfs/dbraw/zinc/82/52/29/535825229.db2.gz LMWLJRAWUIDXQW-SNVBAGLBSA-N 0 3 256.296 2.476 10 0 CEAEHN CC(C)(C)C1CCN(Cc2cc(CN)no2)CC1 ZINC000052373628 518607322 /nfs/dbraw/zinc/60/73/22/518607322.db2.gz CYAGVPGZAIORDH-UHFFFAOYSA-N 0 3 251.374 2.391 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000155815590 519691962 /nfs/dbraw/zinc/69/19/62/519691962.db2.gz TWHLVZWUVNMCSJ-YGRLFVJLSA-N 0 3 282.334 2.423 10 0 CEAEHN CC(C)CN1CCN(c2ccccc2C(N)=S)CC1 ZINC000055080674 519728941 /nfs/dbraw/zinc/72/89/41/519728941.db2.gz WYQVGZHZAQIEMG-UHFFFAOYSA-N 0 3 277.437 2.099 10 0 CEAEHN CC(C)N[C@@H](CCSc1ccc(F)cc1F)C(N)=O ZINC000062597055 519734596 /nfs/dbraw/zinc/73/45/96/519734596.db2.gz WLQWPOBTQYBOFW-NSHDSACASA-N 0 3 288.363 2.299 10 0 CEAEHN CC(C)C[C@@H](C)OC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069196508 519774107 /nfs/dbraw/zinc/77/41/07/519774107.db2.gz HFKCSWBXHHQJLL-DOMZBBRYSA-N 0 3 270.417 2.070 10 0 CEAEHN CCCN1CCN([C@@H](CN)c2cc3ccccc3o2)CC1 ZINC000068810772 519859646 /nfs/dbraw/zinc/85/96/46/519859646.db2.gz WIVRCMWVKAYTCM-HNNXBMFYSA-N 0 3 287.407 2.460 10 0 CEAEHN CCCC1CCC(N[C@@H]2CC(=O)N(CCC)C2=O)CC1 ZINC000049543832 519899367 /nfs/dbraw/zinc/89/93/67/519899367.db2.gz AQQZZLHUPUDJKU-JXQTWKCFSA-N 0 3 280.412 2.472 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(Cn2ccnc2)c1 ZINC000061290101 519907563 /nfs/dbraw/zinc/90/75/63/519907563.db2.gz YMLCGXORNHECSM-UHFFFAOYSA-N 0 3 286.379 2.258 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1-n1ccnc1 ZINC000061290354 519908099 /nfs/dbraw/zinc/90/80/99/519908099.db2.gz FIDGEMVZUIWFRW-UHFFFAOYSA-N 0 3 272.352 2.199 10 0 CEAEHN CCCNCc1ccc(N(CC)CC(C)C)nn1 ZINC000051440863 519950936 /nfs/dbraw/zinc/95/09/36/519950936.db2.gz FHGBKVNPPOEDOW-UHFFFAOYSA-N 0 3 250.390 2.459 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)c(F)c1)[C@@H]1COCCO1 ZINC000055300746 520018580 /nfs/dbraw/zinc/01/85/80/520018580.db2.gz TYDVZNGLUDXOHT-GJZGRUSLSA-N 0 3 283.343 2.290 10 0 CEAEHN CCNCc1nc(Cn2cc(Cl)cn2)cs1 ZINC000052577357 520020629 /nfs/dbraw/zinc/02/06/29/520020629.db2.gz HEJDBWZNQHIXDT-UHFFFAOYSA-N 0 3 256.762 2.151 10 0 CEAEHN CCNCc1oc(CN(CC)CCOC)cc1C ZINC000052542836 520028421 /nfs/dbraw/zinc/02/84/21/520028421.db2.gz ZUJKDBYZWFDPPP-UHFFFAOYSA-N 0 3 254.374 2.166 10 0 CEAEHN CCCN[C@@](CN1CCC(CC)CC1)(C(=O)OC)C1CC1 ZINC000069183780 520052968 /nfs/dbraw/zinc/05/29/68/520052968.db2.gz AJEQQJBEMGOZBV-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCN[C@H](C)[C@H](C)S(=O)(=O)c1ccccc1 ZINC000061702911 520064637 /nfs/dbraw/zinc/06/46/37/520064637.db2.gz BHIXTRWZTBIFJG-NEPJUHHUSA-N 0 3 255.383 2.237 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2CCN(C(C)C)CC2)s1 ZINC000054903694 520080129 /nfs/dbraw/zinc/08/01/29/520080129.db2.gz ZFNUGNZVXIOBDV-LBPRGKRZSA-N 0 3 282.457 2.344 10 0 CEAEHN CCCN[C@H](c1cc(F)ccc1F)[C@@H]1COCCO1 ZINC000055300492 520089452 /nfs/dbraw/zinc/08/94/52/520089452.db2.gz BCJJTMZISSCPGT-UONOGXRCSA-N 0 3 271.307 2.421 10 0 CEAEHN CCCN[C@H]1COc2cc(O[C@H](C)C(=O)NCC)ccc21 ZINC000062805182 520097519 /nfs/dbraw/zinc/09/75/19/520097519.db2.gz DEVVNLMRNIJABN-RISCZKNCSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCN[C@H]1c2ccccc2CC[C@H]1S(C)(=O)=O ZINC000054930627 520099803 /nfs/dbraw/zinc/09/98/03/520099803.db2.gz QLFALHQEBYKJSA-KGLIPLIRSA-N 0 3 267.394 2.087 10 0 CEAEHN CCN[C@@H](COc1ccccc1)c1cnccc1N ZINC000070321140 520102214 /nfs/dbraw/zinc/10/22/14/520102214.db2.gz GGJLKTBOWGRGSG-HNNXBMFYSA-N 0 3 257.337 2.393 10 0 CEAEHN CCCN[C@](C)(COc1cccc(C(C)C)c1)C(N)=O ZINC000045511153 520109356 /nfs/dbraw/zinc/10/93/56/520109356.db2.gz DOMCEHGMNSHRJS-MRXNPFEDSA-N 0 3 278.396 2.432 10 0 CEAEHN CCN[C@@H](c1ccc(OCC)cc1)[C@H]1COCCO1 ZINC000055299924 520111509 /nfs/dbraw/zinc/11/15/09/520111509.db2.gz NOZZOCOKUIVTTG-CABCVRRESA-N 0 3 265.353 2.151 10 0 CEAEHN CCCN[C@](COc1c(C)cccc1C)(C(N)=O)C1CC1 ZINC000069196920 520123711 /nfs/dbraw/zinc/12/37/11/520123711.db2.gz JOEUZNXEUUYUCV-KRWDZBQOSA-N 0 3 290.407 2.316 10 0 CEAEHN CCN[C@@H]1COc2cc(OCC(=O)NC(C)(C)C)ccc21 ZINC000062804895 520124296 /nfs/dbraw/zinc/12/42/96/520124296.db2.gz QHPVMDBTYXBGCR-CYBMUJFWSA-N 0 3 292.379 2.023 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1F)[C@H]1COCCO1 ZINC000055300073 520207984 /nfs/dbraw/zinc/20/79/84/520207984.db2.gz XZEIUFBPHLCJJP-CHWSQXEVSA-N 0 3 257.280 2.031 10 0 CEAEHN CCN[C@H](c1ccc(F)c(F)c1)[C@@H]1COCCO1 ZINC000055300101 520208539 /nfs/dbraw/zinc/20/85/39/520208539.db2.gz WTDYIUDWFNZSPK-QWHCGFSZSA-N 0 3 257.280 2.031 10 0 CEAEHN CCNc1ccc(CN2CCN([C@@H](C)CC)CC2)cn1 ZINC000055071175 520301602 /nfs/dbraw/zinc/30/16/02/520301602.db2.gz BAFXQLLYIGWADZ-AWEZNQCLSA-N 0 3 276.428 2.430 10 0 CEAEHN CCNc1ccccc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000050777552 520339187 /nfs/dbraw/zinc/33/91/87/520339187.db2.gz MIJBRQUHLSOYGL-CYBMUJFWSA-N 0 3 275.396 2.190 10 0 CEAEHN CCNc1ccnc(C(=O)N(C)C2CCN(CC)CC2)c1 ZINC000050786061 520344127 /nfs/dbraw/zinc/34/41/27/520344127.db2.gz VINNSRREMVUXAF-UHFFFAOYSA-N 0 3 290.411 2.070 10 0 CEAEHN CCNc1ccnc(C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000050791184 520347271 /nfs/dbraw/zinc/34/72/71/520347271.db2.gz PZDQLGKRHDLZRK-CYBMUJFWSA-N 0 3 290.411 2.118 10 0 CEAEHN CCCOc1ccc(CNCCOC)c(OCCOC)c1 ZINC000062727416 520366573 /nfs/dbraw/zinc/36/65/73/520366573.db2.gz KBSJZECEJCTPQM-UHFFFAOYSA-N 0 3 297.395 2.237 10 0 CEAEHN CCNc1ncccc1C(=O)N(C)C1CCN(CC)CC1 ZINC000050786066 520371871 /nfs/dbraw/zinc/37/18/71/520371871.db2.gz FMHZBJHKPCPRSH-UHFFFAOYSA-N 0 3 290.411 2.070 10 0 CEAEHN CCCOc1ccc(C[C@@H](CN)C(=O)NC(C)C)cc1 ZINC000052919418 520376845 /nfs/dbraw/zinc/37/68/45/520376845.db2.gz DERQNJNUNOUIPA-AWEZNQCLSA-N 0 3 278.396 2.117 10 0 CEAEHN CCCCN(C)C[C@@](NCC)(C(=O)OCC)C1CC1 ZINC000069088938 520414099 /nfs/dbraw/zinc/41/40/99/520414099.db2.gz XXCAAEJOKKWFTB-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCOc1ccc([C@@H](N[C@@H](C)CC)C(N)=O)cc1 ZINC000052920275 520417188 /nfs/dbraw/zinc/41/71/88/520417188.db2.gz NOYCCVZREJRQIM-SMDDNHRTSA-N 0 3 264.369 2.390 10 0 CEAEHN CCCOc1ccc([C@H](CN)N2CCOC[C@@H]2C)cc1 ZINC000052920001 520428356 /nfs/dbraw/zinc/42/83/56/520428356.db2.gz GFTJSXAEQLIVTH-BBRMVZONSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCOc1cccc([C@@H](NCC(C)C)C(N)=O)c1 ZINC000052921449 520464162 /nfs/dbraw/zinc/46/41/62/520464162.db2.gz IPWPWIWIAZOPAY-CQSZACIVSA-N 0 3 264.369 2.247 10 0 CEAEHN CC1(C)CN([C@H](CN)c2ccc3ncccc3c2)CCO1 ZINC000069502523 520491862 /nfs/dbraw/zinc/49/18/62/520491862.db2.gz GXZUUJRGKFLIPI-MRXNPFEDSA-N 0 3 285.391 2.345 10 0 CEAEHN CC1CCC(Oc2cncc(N3CCNCC3)c2)CC1 ZINC000068610592 520962441 /nfs/dbraw/zinc/96/24/41/520962441.db2.gz VTKUJECFPSBOPM-UHFFFAOYSA-N 0 3 275.396 2.449 10 0 CEAEHN CCN(C[C@H]1CCCO1)[C@@H]1CNCc2ccccc21 ZINC000069266189 521268494 /nfs/dbraw/zinc/26/84/94/521268494.db2.gz PRVRZLQOYQFYQA-GDBMZVCRSA-N 0 3 260.381 2.332 10 0 CEAEHN CCN(Cc1cc(CNC)co1)CC(F)(F)F ZINC000052503114 521288419 /nfs/dbraw/zinc/28/84/19/521288419.db2.gz FYQUIMAMJAIUMG-UHFFFAOYSA-N 0 3 250.264 2.383 10 0 CEAEHN CCN(c1nc2ccccn2c1CNCCOC)C1CC1 ZINC000062735098 521505354 /nfs/dbraw/zinc/50/53/54/521505354.db2.gz YYZTWCPSCDGOGO-UHFFFAOYSA-N 0 3 288.395 2.059 10 0 CEAEHN CCCc1nc(N2CCO[C@H]3CCC[C@@H]32)sc1CN ZINC000054999048 521534624 /nfs/dbraw/zinc/53/46/24/521534624.db2.gz GCWYWAZQMYSLAE-RYUDHWBXSA-N 0 3 281.425 2.312 10 0 CEAEHN CCCN(CCN(C)C)c1cc(Cl)nc(C)n1 ZINC000052837380 521658793 /nfs/dbraw/zinc/65/87/93/521658793.db2.gz DTCOFDFMBSSICL-UHFFFAOYSA-N 0 3 256.781 2.216 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000049569946 521837372 /nfs/dbraw/zinc/83/73/72/521837372.db2.gz ARCOIMJARHYGOQ-QPUJVOFHSA-N 0 3 254.305 2.146 10 0 CEAEHN CNC(C)(C)C(=O)Nc1nc2ccc(OC)cc2s1 ZINC000061300154 521945500 /nfs/dbraw/zinc/94/55/00/521945500.db2.gz RBLLKCKWFHNOTM-UHFFFAOYSA-N 0 3 279.365 2.241 10 0 CEAEHN COC(=O)c1ccc(CNC[C@@H](C)CSC)o1 ZINC000069439402 522032167 /nfs/dbraw/zinc/03/21/67/522032167.db2.gz FCRUOFMZAWMMMX-SECBINFHSA-N 0 3 257.355 2.155 10 0 CEAEHN CC[C@H](CC(=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000062753252 522111273 /nfs/dbraw/zinc/11/12/73/522111273.db2.gz IXWZRTIVFNJVNB-CYBMUJFWSA-N 0 3 268.401 2.190 10 0 CEAEHN CC[C@H](CC(=O)[O-])[NH+]1CCC(N2CCCCC2)CC1 ZINC000062753252 522111286 /nfs/dbraw/zinc/11/12/86/522111286.db2.gz IXWZRTIVFNJVNB-CYBMUJFWSA-N 0 3 268.401 2.190 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2ccc(C)c(N)c2)CC1 ZINC000055083491 522126918 /nfs/dbraw/zinc/12/69/18/522126918.db2.gz GRHWTDKUEUMFGW-CQSZACIVSA-N 0 3 261.413 2.493 10 0 CEAEHN CNCc1cnn(Cc2ccccc2Br)c1 ZINC000054719156 522149364 /nfs/dbraw/zinc/14/93/64/522149364.db2.gz FIHIXHXLWOIQEM-UHFFFAOYSA-N 0 3 280.169 2.413 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@H]1CCC[C@@H]1O ZINC000062746344 522332026 /nfs/dbraw/zinc/33/20/26/522332026.db2.gz BTPZVXMOAITPIT-XDTLVQLUSA-N 0 3 253.317 2.398 10 0 CEAEHN CN[C@@H](c1cc(C)sc1C)C(C)(C)S(C)(=O)=O ZINC000070128645 522365061 /nfs/dbraw/zinc/36/50/61/522365061.db2.gz KYOACVOSWJMAJQ-NSHDSACASA-N 0 3 275.439 2.449 10 0 CEAEHN CN[C@@H]1COc2cc(OCc3cccnc3)ccc21 ZINC000062804491 522400053 /nfs/dbraw/zinc/40/00/53/522400053.db2.gz IXMORWILNZJKTA-CQSZACIVSA-N 0 3 256.305 2.314 10 0 CEAEHN CN[C@@H]1COc2cc(OCc3ncc(Cl)n3C)ccc21 ZINC000062804205 522401352 /nfs/dbraw/zinc/40/13/52/522401352.db2.gz QVOOXOSRWUDXQZ-LLVKDONJSA-N 0 3 293.754 2.305 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1ncon1 ZINC000062746223 522447188 /nfs/dbraw/zinc/44/71/88/522447188.db2.gz JVQHRGYGHHEWJK-MRVPVSSYSA-N 0 3 251.261 2.068 10 0 CEAEHN CN[C@H](C)c1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904543 522453899 /nfs/dbraw/zinc/45/38/99/522453899.db2.gz VQPDJZDWEYZDBH-SECBINFHSA-N 0 3 255.387 2.039 10 0 CEAEHN CN[C@H]1COc2cc(OCCc3ccncc3)ccc21 ZINC000062804266 522507739 /nfs/dbraw/zinc/50/77/39/522507739.db2.gz GQUDVQXLGICRRK-HNNXBMFYSA-N 0 3 270.332 2.356 10 0 CEAEHN CC[C@H](NS(=O)(=O)c1cccc2c1CCNC2)C(C)C ZINC000049147166 522681824 /nfs/dbraw/zinc/68/18/24/522681824.db2.gz XFCMDODYPLFBIM-AWEZNQCLSA-N 0 3 296.436 2.045 10 0 CEAEHN CC[C@H](Oc1c(CNC(C)(C)C)cccc1OC)C(N)=O ZINC000062732251 522867507 /nfs/dbraw/zinc/86/75/07/522867507.db2.gz PYLUULFADHSAHK-LBPRGKRZSA-N 0 3 294.395 2.226 10 0 CEAEHN COC(=O)CCCOc1cc(F)ccc1[C@H](C)N ZINC000062745402 523030240 /nfs/dbraw/zinc/03/02/40/523030240.db2.gz KGYUJBPPFYFGLI-VIFPVBQESA-N 0 3 255.289 2.177 10 0 CEAEHN CC[C@H]1CN(c2nc(C3CC3)c(CN)s2)CCO1 ZINC000069147044 523309231 /nfs/dbraw/zinc/30/92/31/523309231.db2.gz YHWHZYAXZCYOGM-JTQLQIEISA-N 0 3 267.398 2.094 10 0 CEAEHN CN(Cc1ccccc1)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051092024 523339545 /nfs/dbraw/zinc/33/95/45/523339545.db2.gz IUCNJDRYTMPRPG-UHFFFAOYSA-N 0 3 290.754 2.293 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1ncc([C@@H](C)N)s1 ZINC000054898187 523346820 /nfs/dbraw/zinc/34/68/20/523346820.db2.gz SDGYYIGGQXVDEV-AEJSXWLSSA-N 0 3 255.387 2.167 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1[C@@H]1CNCc2ccccc21 ZINC000069266129 523353961 /nfs/dbraw/zinc/35/39/61/523353961.db2.gz ZEALLKRYSMKHKZ-IVMMDQJWSA-N 0 3 260.381 2.330 10 0 CEAEHN COc1ccc(Br)cc1NC(=O)C(C)(C)N ZINC000049569830 523505628 /nfs/dbraw/zinc/50/56/28/523505628.db2.gz GYSSFJNILMOVHF-UHFFFAOYSA-N 0 3 287.157 2.134 10 0 CEAEHN CN(Cc1cnn(C)c1)c1cc(Cl)ccc1CN ZINC000062786913 523519904 /nfs/dbraw/zinc/51/99/04/523519904.db2.gz RGQBAJNNFOZOGK-UHFFFAOYSA-N 0 3 264.760 2.169 10 0 CEAEHN CN(c1nc(C2CC2)c(CN)s1)[C@H]1CCSC1 ZINC000069146942 523664160 /nfs/dbraw/zinc/66/41/60/523664160.db2.gz WREHZWKFPAJZRM-VIFPVBQESA-N 0 3 269.439 2.421 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)CC[S@](C)=O)c1C ZINC000163417925 523664409 /nfs/dbraw/zinc/66/44/09/523664409.db2.gz UWONXLYTOYAMIZ-RMDKCXRXSA-N 0 3 285.457 2.328 10 0 CEAEHN CCn1nccc1[C@H](Cc1ccc(OC)cc1)NC ZINC000069471444 523746916 /nfs/dbraw/zinc/74/69/16/523746916.db2.gz OOJHAERADLDLIZ-AWEZNQCLSA-N 0 3 259.353 2.415 10 0 CEAEHN COCCN([C@@H](CN)c1cccc2cccnc21)C1CC1 ZINC000069502649 523781060 /nfs/dbraw/zinc/78/10/60/523781060.db2.gz MLEIVLXSDSAOOK-INIZCTEOSA-N 0 3 285.391 2.345 10 0 CEAEHN COCCN([C@H](CN)c1cccc2cccnc21)C1CC1 ZINC000069502651 523782918 /nfs/dbraw/zinc/78/29/18/523782918.db2.gz MLEIVLXSDSAOOK-MRXNPFEDSA-N 0 3 285.391 2.345 10 0 CEAEHN CCc1cc(N[C@@H](CC(C)C)CN(C)C)ncn1 ZINC000049558091 523823228 /nfs/dbraw/zinc/82/32/28/523823228.db2.gz HDILZUXIJLUQPD-ZDUSSCGKSA-N 0 3 250.390 2.427 10 0 CEAEHN CC[C@H](C)N(CC)Cc1ccnc(C(N)=S)c1 ZINC000068751931 523936048 /nfs/dbraw/zinc/93/60/48/523936048.db2.gz SMWHXLJAOGPNMB-JTQLQIEISA-N 0 3 251.399 2.336 10 0 CEAEHN COCCNC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000055030552 523940882 /nfs/dbraw/zinc/94/08/82/523940882.db2.gz LQJYQDJYYPJHJF-LLVKDONJSA-N 0 3 264.152 2.263 10 0 CEAEHN COCCNCc1cc(F)ccc1N1CCC(OC)CC1 ZINC000062735585 523949957 /nfs/dbraw/zinc/94/99/57/523949957.db2.gz JQOGIDOMRBYDKU-UHFFFAOYSA-N 0 3 296.386 2.177 10 0 CEAEHN COCCNCc1ccc(OC)cc1OC(C)C ZINC000062733263 523951672 /nfs/dbraw/zinc/95/16/72/523951672.db2.gz LCNWAZFAKVZYSS-UHFFFAOYSA-N 0 3 253.342 2.218 10 0 CEAEHN COCCNCc1cccc(OC)c1OCC1CC1 ZINC000062732373 523954080 /nfs/dbraw/zinc/95/40/80/523954080.db2.gz LGHNWPCHJWOCDS-UHFFFAOYSA-N 0 3 265.353 2.220 10 0 CEAEHN COCCNCc1ccccc1N(C)C[C@@H]1CCCCO1 ZINC000062737084 523954896 /nfs/dbraw/zinc/95/48/96/523954896.db2.gz JJSLERSKLZGYBH-INIZCTEOSA-N 0 3 292.423 2.428 10 0 CEAEHN COCCNCc1sc(N2C[C@H]3CC[C@@H]2C3)nc1C ZINC000055000138 523958552 /nfs/dbraw/zinc/95/85/52/523958552.db2.gz BBAKNSOUORPYON-NWDGAFQWSA-N 0 3 281.425 2.176 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(CO)cc2F)CC1 ZINC000055067945 523960772 /nfs/dbraw/zinc/96/07/72/523960772.db2.gz KXIISRSLCASYMC-LBPRGKRZSA-N 0 3 266.360 2.239 10 0 CEAEHN CC[C@H](C)NC(=O)COc1cc(F)ccc1[C@H](C)N ZINC000062745909 523974596 /nfs/dbraw/zinc/97/45/96/523974596.db2.gz YRXICYFNJXOIFJ-UWVGGRQHSA-N 0 3 268.332 2.139 10 0 CEAEHN CCc1ccc(NS(=O)(=O)C[C@@H]2CCCCN2)cc1 ZINC000049630861 523996217 /nfs/dbraw/zinc/99/62/17/523996217.db2.gz DKUHJTFMBXSDDI-AWEZNQCLSA-N 0 3 282.409 2.133 10 0 CEAEHN COC(=O)[C@](CN(C)CC1CCC1)(NC(C)C)C1CC1 ZINC000069231928 524003932 /nfs/dbraw/zinc/00/39/32/524003932.db2.gz RMQWIMCKHRCMTQ-MRXNPFEDSA-N 0 3 282.428 2.038 10 0 CEAEHN CCc1ccc(OC[C@](NC(C)C)(C(N)=O)C2CC2)cc1 ZINC000069197150 524006888 /nfs/dbraw/zinc/00/68/88/524006888.db2.gz GPGDZMSYGTZSOJ-QGZVFWFLSA-N 0 3 290.407 2.260 10 0 CEAEHN CNC(=O)CCCOc1ccc(Cl)cc1[C@H](C)N ZINC000068816663 524065569 /nfs/dbraw/zinc/06/55/69/524065569.db2.gz QJCJWLUKQBTVPP-VIFPVBQESA-N 0 3 270.760 2.265 10 0 CEAEHN C[C@H]1CCN([C@@H](CN)c2cc(F)c(F)c(F)c2)C1 ZINC000062710274 524304510 /nfs/dbraw/zinc/30/45/10/524304510.db2.gz PYDPVPGWEZTPSB-UFBFGSQYSA-N 0 3 258.287 2.446 10 0 CEAEHN Cc1cccc(CNCC(=O)N2CCCCC2)c1C ZINC000067672788 524430235 /nfs/dbraw/zinc/43/02/35/524430235.db2.gz JUWBVXQOJDMZPZ-UHFFFAOYSA-N 0 3 260.381 2.406 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)N(CCN(C)C)c2ccccc2)O1 ZINC000151081353 524628446 /nfs/dbraw/zinc/62/84/46/524628446.db2.gz HNESNWQXAYMCOI-UKRRQHHQSA-N 0 3 276.380 2.149 10 0 CEAEHN C[C@@H](CN1[C@@H]2CCC[C@H]1CC(=O)C2)N1CCCCC1 ZINC000054601225 524636062 /nfs/dbraw/zinc/63/60/62/524636062.db2.gz CCRDSZLJSXCTDN-SOUVJXGZSA-N 0 3 264.413 2.447 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)Cc1c(F)cccc1Cl ZINC000069132749 524695837 /nfs/dbraw/zinc/69/58/37/524695837.db2.gz QTTQCFPHALWKJB-UWVGGRQHSA-N 0 3 284.762 2.230 10 0 CEAEHN Cc1cccc(OCCN[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000049899819 524748718 /nfs/dbraw/zinc/74/87/18/524748718.db2.gz MZFWUMVJJOENAC-ZDUSSCGKSA-N 0 3 278.396 2.267 10 0 CEAEHN Cc1cccc(OC[C@](NC2CC2)(C(N)=O)C2CC2)c1C ZINC000069197078 524766429 /nfs/dbraw/zinc/76/64/29/524766429.db2.gz HBYGESDCUHXKGE-QGZVFWFLSA-N 0 3 288.391 2.068 10 0 CEAEHN Cc1ccc(N(C)C[C@@](NC(C)C)(C(N)=O)C2CC2)cc1 ZINC000069231437 524886765 /nfs/dbraw/zinc/88/67/65/524886765.db2.gz MXVFURWXJTVDEV-KRWDZBQOSA-N 0 3 289.423 2.063 10 0 CEAEHN Cc1ccc(N)c(C(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000053003247 524903174 /nfs/dbraw/zinc/90/31/74/524903174.db2.gz AAGMUCMJPAOEIB-ZDUSSCGKSA-N 0 3 277.412 2.283 10 0 CEAEHN COc1nc2sccn2c1CNC[C@@H](C)CSC ZINC000069438014 524989326 /nfs/dbraw/zinc/98/93/26/524989326.db2.gz WEJDZXCOENUQQP-SECBINFHSA-N 0 3 285.438 2.493 10 0 CEAEHN C[C@@H]([NH3+])[C@]([O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784280 525024611 /nfs/dbraw/zinc/02/46/11/525024611.db2.gz DHYLKIXTXIXYLN-ANLVUFKYSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H](N)c1ccc(F)cc1O[C@@H](C)C(=O)N1CCCC1 ZINC000062745675 525026723 /nfs/dbraw/zinc/02/67/23/525026723.db2.gz XJANEEVZWONYRL-MNOVXSKESA-N 0 3 280.343 2.235 10 0 CEAEHN C[C@@H](N)c1cnc(N(C)C[C@@H]2CCCCO2)s1 ZINC000054896729 525033565 /nfs/dbraw/zinc/03/35/65/525033565.db2.gz FTBJFYBNOYVYIP-ZJUUUORDSA-N 0 3 255.387 2.168 10 0 CEAEHN C[C@@H]1CN(c2nc3c(s2)[C@H](N)CCC3)C[C@H](C)O1 ZINC000054864255 525074194 /nfs/dbraw/zinc/07/41/94/525074194.db2.gz OZJADPGQYOVEHT-KXUCPTDWSA-N 0 3 267.398 2.093 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)[C@@H]1CCCc2ccccc21 ZINC000069132745 525101278 /nfs/dbraw/zinc/10/12/78/525101278.db2.gz IOLLWHSGXFRYGO-DVOMOZLQSA-N 0 3 272.392 2.315 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc(Cl)ccc1F ZINC000069133047 525101290 /nfs/dbraw/zinc/10/12/90/525101290.db2.gz ZGOOPILTPSSNDN-DTORHVGOSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@](N)(c1cccc(Br)c1)c1cncnc1 ZINC000052887682 525149887 /nfs/dbraw/zinc/14/98/87/525149887.db2.gz ALZGNYIVQWOANF-LBPRGKRZSA-N 0 3 278.153 2.461 10 0 CEAEHN COc1ccc([C@@H](O)[C@H](N)c2ccccc2)cc1OC ZINC000054682345 525209047 /nfs/dbraw/zinc/20/90/47/525209047.db2.gz WTJNLWXCIYIEEW-HZPDHXFCSA-N 0 3 273.332 2.437 10 0 CEAEHN C[C@@H](NC(=O)[C@H](CN)c1ccccc1)c1cccnc1 ZINC000061611306 525287081 /nfs/dbraw/zinc/28/70/81/525287081.db2.gz AGPSJMSZHFAZLP-IUODEOHRSA-N 0 3 269.348 2.001 10 0 CEAEHN Cc1ccc(NS(=O)(=O)CCNC(C)C)c(C)c1 ZINC000049631755 525292609 /nfs/dbraw/zinc/29/26/09/525292609.db2.gz CNSDXTOXWSRQJY-UHFFFAOYSA-N 0 3 270.398 2.043 10 0 CEAEHN COc1ccc([C@H](N)c2ccc3[nH]c(=O)oc3c2)cc1F ZINC000061668854 525363096 /nfs/dbraw/zinc/36/30/96/525363096.db2.gz LLNXMICNKJOBIN-AWEZNQCLSA-N 0 3 288.278 2.317 10 0 CEAEHN CSCCCN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000069432474 525482072 /nfs/dbraw/zinc/48/20/72/525482072.db2.gz ISVGZKJRLRFBOG-GFCCVEGCSA-N 0 3 264.394 2.437 10 0 CEAEHN Cc1ccn(-c2cnc(C(C)C)nc2CNC2CC2)n1 ZINC000052885188 525569036 /nfs/dbraw/zinc/56/90/36/525569036.db2.gz HLVZFCSBSNTPSS-UHFFFAOYSA-N 0 3 271.368 2.346 10 0 CEAEHN C[C@@H](NS(=O)(=O)C[C@@H]1CCCCN1)C1CCCCC1 ZINC000052344022 525571012 /nfs/dbraw/zinc/57/10/12/525571012.db2.gz OQCRSHTYZFBINU-OCCSQVGLSA-N 0 3 288.457 2.017 10 0 CEAEHN CSC[C@@H](C)CNCc1ccc(C(N)=O)cc1F ZINC000069447611 525624277 /nfs/dbraw/zinc/62/42/77/525624277.db2.gz VJXHDOAJUFUFCO-VIFPVBQESA-N 0 3 270.373 2.013 10 0 CEAEHN COc1ccc2cc([C@@H](N)[C@H]3COCCO3)ccc2c1 ZINC000055301242 525637735 /nfs/dbraw/zinc/63/77/35/525637735.db2.gz XKFUZFYEKVQIGX-HZPDHXFCSA-N 0 3 273.332 2.264 10 0 CEAEHN CSC[C@H](C)CNCc1nc2ccccc2c(=O)[nH]1 ZINC000069443627 525682672 /nfs/dbraw/zinc/68/26/72/525682672.db2.gz NAXLJKSSKQCDTL-SNVBAGLBSA-N 0 3 277.393 2.012 10 0 CEAEHN Cc1c(N)cccc1CN1CCN(CC(C)C)CC1 ZINC000055076917 525820105 /nfs/dbraw/zinc/82/01/05/525820105.db2.gz MMZMFDJOAFKRGJ-UHFFFAOYSA-N 0 3 261.413 2.351 10 0 CEAEHN C[C@@H](O)c1ccccc1NC(=O)[C@@H](CN)c1ccccc1 ZINC000061612920 525873110 /nfs/dbraw/zinc/87/31/10/525873110.db2.gz PPCMMHGMDMXCGK-DOMZBBRYSA-N 0 3 284.359 2.421 10 0 CEAEHN Cc1cc(Br)cc2c1N(C)CCNC2 ZINC000062625812 526160183 /nfs/dbraw/zinc/16/01/83/526160183.db2.gz ZHFXIMJUXIVDNF-UHFFFAOYSA-N 0 3 255.159 2.297 10 0 CEAEHN COc1cccc(OC)c1OCc1cccnc1CN ZINC000061657181 526223997 /nfs/dbraw/zinc/22/39/97/526223997.db2.gz GZRPLNFXIIYQLB-UHFFFAOYSA-N 0 3 274.320 2.137 10 0 CEAEHN Cc1nn([C@@H]2CCCC[C@H]2O)c(C)c1CNC1CC1 ZINC000054599995 526303088 /nfs/dbraw/zinc/30/30/88/526303088.db2.gz SFAZYBFQDHUMTE-HUUCEWRRSA-N 0 3 263.385 2.228 10 0 CEAEHN Fc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1Cl ZINC000062669970 526313045 /nfs/dbraw/zinc/31/30/45/526313045.db2.gz XWHQCZYHNUIQAT-UHFFFAOYSA-N 0 3 280.734 2.279 10 0 CEAEHN c1ncn(Cc2c3ccccc3oc2CNC2CC2)n1 ZINC000052575097 526616210 /nfs/dbraw/zinc/61/62/10/526616210.db2.gz IJHYSJARGUXDTC-UHFFFAOYSA-N 0 3 268.320 2.325 10 0 CEAEHN O=C(NOCCN1CCCCC1)c1ccc(Cl)cc1 ZINC000062578180 526845556 /nfs/dbraw/zinc/84/55/56/526845556.db2.gz IUNOSHUHFSGGMG-UHFFFAOYSA-N 0 3 282.771 2.487 10 0 CEAEHN Cc1nc(CNCc2ccccc2-n2cccn2)c[nH]1 ZINC000054822420 526888634 /nfs/dbraw/zinc/88/86/34/526888634.db2.gz AWIPVJXJINOAOU-UHFFFAOYSA-N 0 3 267.336 2.194 10 0 CEAEHN Cc1ncc(CNCc2ccccc2-n2cccn2)[nH]1 ZINC000054822420 526888636 /nfs/dbraw/zinc/88/86/36/526888636.db2.gz AWIPVJXJINOAOU-UHFFFAOYSA-N 0 3 267.336 2.194 10 0 CEAEHN O=C(CN[C@H]1CCCc2sccc21)N1CCCC1 ZINC000061362585 526891639 /nfs/dbraw/zinc/89/16/39/526891639.db2.gz MBQUFUHQNUTWQL-LBPRGKRZSA-N 0 3 264.394 2.338 10 0 CEAEHN NC(=O)[C@](CSc1ccccc1)(NC1CC1)C1CC1 ZINC000069185553 527015999 /nfs/dbraw/zinc/01/59/99/527015999.db2.gz RWSYOAXDUDUEPK-OAHLLOKOSA-N 0 3 276.405 2.165 10 0 CEAEHN O=S(=O)(C[C@H]1CCC[NH2+]1)[N-]c1cccc2ccccc21 ZINC000049632403 527186775 /nfs/dbraw/zinc/18/67/75/527186775.db2.gz ZOACLOAJDIJBNX-CYBMUJFWSA-N 0 3 290.388 2.334 10 0 CEAEHN NC[C@@](O)(c1ccccc1C(F)(F)F)C(F)(F)F ZINC000062784714 527220480 /nfs/dbraw/zinc/22/04/80/527220480.db2.gz GZODXVMICZCNMX-MRVPVSSYSA-N 0 3 273.176 2.414 10 0 CEAEHN NC[C@H](c1cccs1)N(CCO)Cc1ccccc1 ZINC000050513972 527230814 /nfs/dbraw/zinc/23/08/14/527230814.db2.gz QJUOEFZBMUUFCZ-CQSZACIVSA-N 0 3 276.405 2.242 10 0 CEAEHN NCc1cc(N2CCC[C@@H]2c2cccnc2)ccn1 ZINC000061811574 527248682 /nfs/dbraw/zinc/24/86/82/527248682.db2.gz VFUAZACFOBBKBT-OAHLLOKOSA-N 0 3 254.337 2.277 10 0 CEAEHN NCc1ccc(Cl)cc1N1CCC[C@H](CO)C1 ZINC000062786851 527253264 /nfs/dbraw/zinc/25/32/64/527253264.db2.gz JFYARUDBQWDYNO-JTQLQIEISA-N 0 3 254.761 2.007 10 0 CEAEHN NCc1cccc(-n2cc(-c3ccccc3)cn2)n1 ZINC000054961983 527259417 /nfs/dbraw/zinc/25/94/17/527259417.db2.gz RHJSDBQUGWBXJU-UHFFFAOYSA-N 0 3 250.305 2.393 10 0 CEAEHN NNc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccn1 ZINC000051092148 527273031 /nfs/dbraw/zinc/27/30/31/527273031.db2.gz UFDAPFJHHXQZGF-UHFFFAOYSA-N 0 3 268.320 2.108 10 0 CEAEHN NN=c1cc(C(=O)Nc2ccc3c(c2)CCC3)cc[nH]1 ZINC000051092148 527273035 /nfs/dbraw/zinc/27/30/35/527273035.db2.gz UFDAPFJHHXQZGF-UHFFFAOYSA-N 0 3 268.320 2.108 10 0 CEAEHN NNc1ccc(C(=O)[N-]c2cc(F)c(F)cc2F)c[nH+]1 ZINC000061095294 527278142 /nfs/dbraw/zinc/27/81/42/527278142.db2.gz RILMNAXFWYIXTJ-UHFFFAOYSA-N 0 3 282.225 2.037 10 0 CEAEHN N[C@@H](Cc1ccc(Br)cc1)c1cncnc1 ZINC000052886989 527334531 /nfs/dbraw/zinc/33/45/31/527334531.db2.gz DYMRDYHBQDIPCR-LBPRGKRZSA-N 0 3 278.153 2.482 10 0 CEAEHN N[C@@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)CCO2 ZINC000054681994 527338971 /nfs/dbraw/zinc/33/89/71/527338971.db2.gz MVPKUYUFMCYWBS-HOTGVXAUSA-N 0 3 255.317 2.355 10 0 CEAEHN N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405640 527377458 /nfs/dbraw/zinc/37/74/58/527377458.db2.gz LNKZQVHJUYGNKY-YSVLISHTSA-N 0 3 288.391 2.077 10 0 CEAEHN Cn1ccnc1SCc1nc(NN)ccc1Cl ZINC000061640022 527449076 /nfs/dbraw/zinc/44/90/76/527449076.db2.gz IQARPSRVFCDEPC-UHFFFAOYSA-N 0 3 269.761 2.046 10 0 CEAEHN Nc1nc2ccccc2cc1CN1CCC[C@@H](CO)C1 ZINC000050791770 527561735 /nfs/dbraw/zinc/56/17/35/527561735.db2.gz BBJPVUVDVXSYEA-GFCCVEGCSA-N 0 3 271.364 2.021 10 0 CEAEHN Cn1nccc1[C@@H](N)Cc1c(F)cccc1Cl ZINC000069467941 527621839 /nfs/dbraw/zinc/62/18/39/527621839.db2.gz ILMZXHZIUXPTBQ-NSHDSACASA-N 0 3 253.708 2.455 10 0 CEAEHN Cn1nccc1[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000069467184 527623469 /nfs/dbraw/zinc/62/34/69/527623469.db2.gz NHMPOWVVURYNNE-NSHDSACASA-N 0 3 255.243 2.487 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)C(C)C ZINC000176392355 529095165 /nfs/dbraw/zinc/09/51/65/529095165.db2.gz DEMMSRLTYHCTRB-KGLIPLIRSA-N 0 3 269.433 2.404 10 0 CEAEHN CC(C)CNCc1cncc(N2CCSC[C@H]2C)n1 ZINC000091421829 535170059 /nfs/dbraw/zinc/17/00/59/535170059.db2.gz LLCQUIFTANXQFH-GFCCVEGCSA-N 0 3 280.441 2.164 10 0 CEAEHN CN[C@H](C)c1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906378 536406453 /nfs/dbraw/zinc/40/64/53/536406453.db2.gz QEGXADCPXWHQTA-RTXFEEFZSA-N 0 3 264.344 2.474 10 0 CEAEHN COc1cc2c(cc1OC)[C@@]13C[C@@H](O)C=CC1=CCN3CC2 ZINC000015203658 560229204 /nfs/dbraw/zinc/22/92/04/560229204.db2.gz JEBFJSHKHYDVNP-KBXCAEBGSA-N 0 3 299.370 2.018 10 0 biogenic,in-vitro CEAEHN CCCN(CCC)S(=O)(=O)C[C@@H](N)CC(C)(C)C ZINC000757151922 574510845 /nfs/dbraw/zinc/51/08/45/574510845.db2.gz PAVJEEYGUXKXRA-LBPRGKRZSA-N 0 3 278.462 2.202 10 0 CEAEHN CCC(CC)[C@@H](N)CS(=O)(=O)N1CCC(C)(C)CC1 ZINC000757154387 574511142 /nfs/dbraw/zinc/51/11/42/574511142.db2.gz XTZFRCVNUNFYEC-ZDUSSCGKSA-N 0 3 290.473 2.202 10 0 CEAEHN CCC1(C)CCN(S(=O)(=O)C[C@@H](N)CC(C)C)CC1 ZINC000757154385 574511149 /nfs/dbraw/zinc/51/11/49/574511149.db2.gz XTJAQNIEWLDZCY-ZDUSSCGKSA-N 0 3 290.473 2.202 10 0 CEAEHN CC(C)(C)OC(=O)N[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037362326 570248566 /nfs/dbraw/zinc/24/85/66/570248566.db2.gz DDJIZZDNKQZUEE-LBPRGKRZSA-N 0 3 278.352 2.146 10 0 CEAEHN Cc1ccnc(NC[C@@H]2CCN(c3nc(C)cc(N)n3)C2)c1 ZINC000892219383 624428764 /nfs/dbraw/zinc/42/87/64/624428764.db2.gz OQFQENQALVYLPV-ZDUSSCGKSA-N 0 3 298.394 2.009 10 0 CEAEHN CO[C@@H](C)CN(C)C[C@H](O)c1cc2ccccc2o1 ZINC000311328026 628506987 /nfs/dbraw/zinc/50/69/87/628506987.db2.gz FCLGIHRBOHUWHC-AAEUAGOBSA-N 0 3 263.337 2.433 10 0 CEAEHN CCC[C@@H](N)C(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000236961639 629231712 /nfs/dbraw/zinc/23/17/12/629231712.db2.gz KPIOWWZTVPFTJA-NEPJUHHUSA-N 0 3 292.404 2.178 10 0 CEAEHN CCc1ccc([C@@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261894065 629305809 /nfs/dbraw/zinc/30/58/09/629305809.db2.gz VWRQGNOKSMSEFF-MLGOLLRUSA-N 0 3 290.407 2.180 10 0 CEAEHN C[C@H]1CCC[C@@H](CN2CCC([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524422 631459027 /nfs/dbraw/zinc/45/90/27/631459027.db2.gz SPEXVVXINZSDJD-UONOGXRCSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@H]1CCC[C@@H](CN2CCC([N@@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524422 631459034 /nfs/dbraw/zinc/45/90/34/631459034.db2.gz SPEXVVXINZSDJD-UONOGXRCSA-N 0 3 282.428 2.294 10 0 CEAEHN Nc1cnc(O[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000226757745 639564412 /nfs/dbraw/zinc/56/44/12/639564412.db2.gz KGGBIDZDEGWPOW-LBPRGKRZSA-N 0 3 275.377 2.379 10 0 CEAEHN CCOc1ccccc1CN1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228697884 639653789 /nfs/dbraw/zinc/65/37/89/639653789.db2.gz TZNTTZATEGXSJW-JSGCOSHPSA-N 0 3 277.364 2.326 10 0 CEAEHN C[C@@H](NCC[S@](C)=O)c1cccc(Br)c1 ZINC000128674352 651534941 /nfs/dbraw/zinc/53/49/41/651534941.db2.gz LAQRFZNSFDMOMQ-RFAUZJTJSA-N 0 3 290.226 2.478 10 0 CEAEHN Brc1ccc(-c2noc([C@H]3CCCN3)n2)nc1 ZINC000129851265 652186178 /nfs/dbraw/zinc/18/61/78/652186178.db2.gz MFLFOHXFINJAPB-SECBINFHSA-N 0 3 295.140 2.319 10 0 CEAEHN Cc1cccc(S(=O)(=O)C[C@H](N)C(C)(C)C)c1 ZINC000081987063 177914156 /nfs/dbraw/zinc/91/41/56/177914156.db2.gz VEVOQPAJKRLGAF-LBPRGKRZSA-N 0 3 255.383 2.142 10 0 CEAEHN C[C@@H]1CC(F)(F)CCN1C(=O)[C@]1(C)CCCCN1 ZINC000638630427 370644850 /nfs/dbraw/zinc/64/48/50/370644850.db2.gz MJVGVNGIZONEGR-PWSUYJOCSA-N 0 3 260.328 2.165 10 0 CEAEHN CCNCc1sc(-c2cccnc2)nc1COC ZINC000082445424 178022435 /nfs/dbraw/zinc/02/24/35/178022435.db2.gz YZJJYXCUOKCDHP-UHFFFAOYSA-N 0 3 263.366 2.461 10 0 CEAEHN CC(C)NCc1sc(CS(C)(=O)=O)nc1C(C)C ZINC000082430243 178008191 /nfs/dbraw/zinc/00/81/91/178008191.db2.gz QHSSVXUIRYPBDT-UHFFFAOYSA-N 0 3 290.454 2.309 10 0 CEAEHN COCc1nc(Cc2ccccc2OC)sc1CN ZINC000082445216 178022032 /nfs/dbraw/zinc/02/20/32/178022032.db2.gz QANQDOCFOWMNGP-UHFFFAOYSA-N 0 3 278.377 2.348 10 0 CEAEHN COCc1nc(N2CCCC2)sc1CNC(C)C ZINC000082447126 178025681 /nfs/dbraw/zinc/02/56/81/178025681.db2.gz JGKMEWJLUPZLCW-UHFFFAOYSA-N 0 3 269.414 2.388 10 0 CEAEHN COCc1nc(-c2cnccn2)sc1CNC(C)C ZINC000082447301 178026784 /nfs/dbraw/zinc/02/67/84/178026784.db2.gz JAEUNUYZNQDIEP-UHFFFAOYSA-N 0 3 278.381 2.245 10 0 CEAEHN Cc1noc(C)c1CCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000336284337 365546581 /nfs/dbraw/zinc/54/65/81/365546581.db2.gz GNKIGXBJZRNWBR-ZBFHGGJFSA-N 0 3 278.396 2.461 10 0 CEAEHN CCN1CCC[C@@H](Nc2ncc(Br)cn2)C1 ZINC000082661863 178149468 /nfs/dbraw/zinc/14/94/68/178149468.db2.gz UOCRJCKEFYUIHO-SNVBAGLBSA-N 0 3 285.189 2.135 10 0 CEAEHN CC(C)[C@H](CN(C)C)Nc1ncc(Br)cn1 ZINC000082662006 178150287 /nfs/dbraw/zinc/15/02/87/178150287.db2.gz AQAYLJRSNIAVPQ-JTQLQIEISA-N 0 3 287.205 2.237 10 0 CEAEHN C[C@H](NCCc1cccs1)C(=O)N1CCCCC1 ZINC000034936689 361797555 /nfs/dbraw/zinc/79/75/55/361797555.db2.gz SYNXOXGLNLYEEW-LBPRGKRZSA-N 0 3 266.410 2.281 10 0 CEAEHN CN1c2ccc([C@H](N)c3ccccc3F)cc2CC1=O ZINC000034940648 361798328 /nfs/dbraw/zinc/79/83/28/361798328.db2.gz IQKILVDTGPDPHL-INIZCTEOSA-N 0 3 270.307 2.393 10 0 CEAEHN CC(C)[C@H](N)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939125 361798924 /nfs/dbraw/zinc/79/89/24/361798924.db2.gz ZKPKPDLVBOURLE-ZDUSSCGKSA-N 0 3 261.325 2.380 10 0 CEAEHN COc1cc(Cl)c(C(=O)[C@@H]2CCCN2)cc1OC ZINC000082724454 178240596 /nfs/dbraw/zinc/24/05/96/178240596.db2.gz KRNBRSHFTUAESJ-JTQLQIEISA-N 0 3 269.728 2.292 10 0 CEAEHN CCCN1CCC[C@@]2(C1)c1cc(Cl)cnc1NC2=O ZINC000033995418 361787159 /nfs/dbraw/zinc/78/71/59/361787159.db2.gz MAKZFDMSRISZQJ-CQSZACIVSA-N 0 3 279.771 2.431 10 0 CEAEHN CN1CCC2(CC1)c1ccccc1N(CC1CC1)C2=O ZINC000096078914 185090397 /nfs/dbraw/zinc/09/03/97/185090397.db2.gz SCDRGAKWCRVHMN-UHFFFAOYSA-N 0 3 270.376 2.407 10 0 CEAEHN c1cn(C[C@@H]2CCCN2Cc2ccc3c[nH]nc3c2)cn1 ZINC000188398536 539178966 /nfs/dbraw/zinc/17/89/66/539178966.db2.gz RXVLMBGZMNLDFS-HNNXBMFYSA-N 0 3 281.363 2.424 10 0 CEAEHN CCc1cc(Br)cc2c1NC(=O)C2C(=O)OC ZINC000725256227 539202277 /nfs/dbraw/zinc/20/22/77/539202277.db2.gz XTJRTYUMDRMOQP-VIFPVBQESA-N 0 3 298.136 2.220 10 0 CEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)C[C@@H](CC)O1 ZINC000398581317 539262350 /nfs/dbraw/zinc/26/23/50/539262350.db2.gz MDPLZTPFSJDVLN-KBUPBQIOSA-N 0 3 255.402 2.427 10 0 CEAEHN CCC[C@H](C(=O)NCC[C@@H](OCC)C(C)C)N(C)C ZINC000126713018 365722138 /nfs/dbraw/zinc/72/21/38/365722138.db2.gz GQVIRTORANHAOP-ZIAGYGMSSA-N 0 3 272.433 2.284 10 0 CEAEHN O=C1Cc2c(cccc2OCCNCc2ccccc2)N1 ZINC000001903144 343351810 /nfs/dbraw/zinc/35/18/10/343351810.db2.gz CVWQKEFTSSJDLS-UHFFFAOYSA-N 0 3 282.343 2.350 10 0 in-vivo CEAEHN C[C@@H](NCc1cnc2ccccc2n1)[C@@H]1CCCO1 ZINC000037242471 343426086 /nfs/dbraw/zinc/42/60/86/343426086.db2.gz ROWDGWUBARXETF-ABAIWWIYSA-N 0 3 257.337 2.287 10 0 CEAEHN C[C@@H](NCc1cnc2ccccc2n1)[C@H]1CCCO1 ZINC000037242475 343426691 /nfs/dbraw/zinc/42/66/91/343426691.db2.gz ROWDGWUBARXETF-IAQYHMDHSA-N 0 3 257.337 2.287 10 0 CEAEHN CC(C)CNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000047617404 362217493 /nfs/dbraw/zinc/21/74/93/362217493.db2.gz QWQFTCSNAQPKOE-AWEZNQCLSA-N 0 3 263.385 2.245 10 0 CEAEHN NC[C@H]1CC(c2ccc(-c3ccncc3)cc2)=NO1 ZINC000038256223 343433548 /nfs/dbraw/zinc/43/35/48/343433548.db2.gz SWKKHVVUYJZLLK-CQSZACIVSA-N 0 3 253.305 2.200 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000071140006 282263829 /nfs/dbraw/zinc/26/38/29/282263829.db2.gz ZNWTXAOXSUKMEX-LBPRGKRZSA-N 0 3 297.196 2.225 10 0 CEAEHN C[C@H](O)CN1CCN(CC(C)(C)c2ccccc2)C[C@H]1C ZINC000245851987 539313166 /nfs/dbraw/zinc/31/31/66/539313166.db2.gz MONJIIYXEASIQT-CVEARBPZSA-N 0 3 290.451 2.351 10 0 CEAEHN O[C@H](CNCc1ccc(F)cc1F)COCc1ccco1 ZINC000051017448 343547540 /nfs/dbraw/zinc/54/75/40/343547540.db2.gz ZQXOGSRVLFSGQD-CYBMUJFWSA-N 0 3 297.301 2.225 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2[C@H](C)CC[C@@H]2C)C1 ZINC000128075383 365774706 /nfs/dbraw/zinc/77/47/06/365774706.db2.gz DTUJKXRJCZACAO-XQQFMLRXSA-N 0 3 253.390 2.053 10 0 CEAEHN COc1ccc(CNC[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000228598621 539349956 /nfs/dbraw/zinc/34/99/56/539349956.db2.gz ZUTOVYOPKVBLNN-WFASDCNBSA-N 0 3 267.344 2.475 10 0 CEAEHN Cc1cc(NCc2ncnn2C)c2ccccc2n1 ZINC000078677099 343961373 /nfs/dbraw/zinc/96/13/73/343961373.db2.gz NSPGYXRUXDORLF-UHFFFAOYSA-N 0 3 253.309 2.284 10 0 CEAEHN N=C1N[C@@H](Cc2ccc(C(=O)Nc3ccccc3)cc2)CO1 ZINC000117022238 344287939 /nfs/dbraw/zinc/28/79/39/344287939.db2.gz OQBPCHPBKCDVOU-HNNXBMFYSA-N 0 3 295.342 2.195 10 0 CEAEHN Cc1ccc(Cl)cc1NC(=O)C(C)(C)N1CCNCC1 ZINC000129593393 344344951 /nfs/dbraw/zinc/34/49/51/344344951.db2.gz AYGXXXXFVZFCJB-UHFFFAOYSA-N 0 3 295.814 2.271 10 0 CEAEHN C[C@H]1CC(N)=NN1c1cccc(Br)c1 ZINC000137410190 344388022 /nfs/dbraw/zinc/38/80/22/344388022.db2.gz DWVOTHPMHZLRBO-ZETCQYMHSA-N 0 3 254.131 2.320 10 0 CEAEHN CNc1ncc(Br)cc1CNC1CC1 ZINC000166302505 344475973 /nfs/dbraw/zinc/47/59/73/344475973.db2.gz CBRYMFIEHPOQKV-UHFFFAOYSA-N 0 3 256.147 2.138 10 0 CEAEHN CCOC(=O)[C@@H](C)C[C@@H](N)c1c(OC)cccc1OC ZINC000167821409 344478884 /nfs/dbraw/zinc/47/88/84/344478884.db2.gz DDXVDPMWBLARCZ-WDEREUQCSA-N 0 3 281.352 2.293 10 0 CEAEHN CC(C)c1ccc([C@@H](O)CN2CCC(O)CC2)cc1 ZINC000051590139 362432923 /nfs/dbraw/zinc/43/29/23/362432923.db2.gz MKNZPHXJCCHAEB-INIZCTEOSA-N 0 3 263.381 2.300 10 0 CEAEHN N=C(N)Nc1cc(F)c(Br)cc1F ZINC000232184787 344576891 /nfs/dbraw/zinc/57/68/91/344576891.db2.gz LHBBXYCNWOHZKU-UHFFFAOYSA-N 0 3 250.046 2.033 10 0 CEAEHN CCOC(=O)C[C@@H](O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000234009260 344583072 /nfs/dbraw/zinc/58/30/72/344583072.db2.gz JGSZMUGBTAMAHX-GXFFZTMASA-N 0 3 285.771 2.305 10 0 CEAEHN CNCc1ccc(F)cc1I ZINC000234386295 344584454 /nfs/dbraw/zinc/58/44/54/344584454.db2.gz OCKCKFUCBHQAPU-UHFFFAOYSA-N 0 3 265.069 2.150 10 0 CEAEHN C[C@H](N[C@@H]1CCCNC1=O)c1ccc2c(c1)CCC2 ZINC000050394782 362418033 /nfs/dbraw/zinc/41/80/33/362418033.db2.gz KNANDIWNJCPKST-XHDPSFHLSA-N 0 3 258.365 2.105 10 0 CEAEHN Cc1ccccc1OCCN(C)C[C@@H](O)COC(C)(C)C ZINC000052816307 362475534 /nfs/dbraw/zinc/47/55/34/362475534.db2.gz NIMZIBUOMZYWEH-OAHLLOKOSA-N 0 3 295.423 2.482 10 0 CEAEHN N[C@H](CO)c1ccc(Br)cc1Br ZINC000238566912 344606595 /nfs/dbraw/zinc/60/65/95/344606595.db2.gz COYKEBHYYIQZEZ-MRVPVSSYSA-N 0 3 294.974 2.204 10 0 CEAEHN CN(Cc1ncccn1)[C@H]1CCN(Cc2cccs2)C1 ZINC000328647235 344758258 /nfs/dbraw/zinc/75/82/58/344758258.db2.gz TVRNIJXNPAJKHF-ZDUSSCGKSA-N 0 3 288.420 2.244 10 0 CEAEHN CN[C@@H](C[S@@](=O)CCOC)c1ccc2ccccc2c1 ZINC000084036340 178775610 /nfs/dbraw/zinc/77/56/10/178775610.db2.gz WEIBWXNYCQWNJU-OXJNMPFZSA-N 0 3 291.416 2.495 10 0 CEAEHN COc1ccc(C[C@H](N)C(=O)NC2CCCCC2)cc1 ZINC000584595899 344961090 /nfs/dbraw/zinc/96/10/90/344961090.db2.gz JRQZKBNSRFVVDP-HNNXBMFYSA-N 0 3 276.380 2.014 10 0 CEAEHN CN(C)CC[C@](O)(Cc1ccccc1)c1ccccn1 ZINC000584629164 344969205 /nfs/dbraw/zinc/96/92/05/344969205.db2.gz JTZCNJNITXCMRR-KRWDZBQOSA-N 0 3 270.376 2.464 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1cccc(F)n1)c1ccccc1 ZINC000127463866 187308321 /nfs/dbraw/zinc/30/83/21/187308321.db2.gz CPWZKGSWMQRAHX-CQSZACIVSA-N 0 3 287.338 2.253 10 0 CEAEHN CC(=O)c1ccc(N2C[C@H](O)C[C@@H]2CN(C)C)cc1Cl ZINC000097246425 185572791 /nfs/dbraw/zinc/57/27/91/185572791.db2.gz OITDHPOYQVMQKE-CHWSQXEVSA-N 0 3 296.798 2.044 10 0 CEAEHN CCCn1ncnc1C[C@H](NC)c1snnc1C(C)C ZINC000097282058 185578693 /nfs/dbraw/zinc/57/86/93/185578693.db2.gz YAZSJHIUSHRQAY-JTQLQIEISA-N 0 3 294.428 2.166 10 0 CEAEHN Cc1cccc(OCCN2CCC[C@H](n3cncn3)C2)c1 ZINC000171704833 232269817 /nfs/dbraw/zinc/26/98/17/232269817.db2.gz TYKZBBJWLIITBT-HNNXBMFYSA-N 0 3 286.379 2.302 10 0 CEAEHN CN[C@@](CO)(CSc1ccccn1)c1ccccc1 ZINC000085292008 179007695 /nfs/dbraw/zinc/00/76/95/179007695.db2.gz HXKGUVKBSSUNSL-HNNXBMFYSA-N 0 3 274.389 2.281 10 0 CEAEHN N[C@@H]1COC[C@H]1c1nc2cc(Cl)ccc2s1 ZINC000085352942 179029952 /nfs/dbraw/zinc/02/99/52/179029952.db2.gz BDHCNQJDGPQBQO-HTQZYQBOSA-N 0 3 254.742 2.391 10 0 CEAEHN CN[C@@H](Cc1cc(F)ccc1C)C(C)(C)S(C)(=O)=O ZINC000097859327 185673310 /nfs/dbraw/zinc/67/33/10/185673310.db2.gz MTPPNJUYYAFDJX-ZDUSSCGKSA-N 0 3 287.400 2.088 10 0 CEAEHN NCc1cncc(Oc2cccc(Br)c2)n1 ZINC000085695138 179116134 /nfs/dbraw/zinc/11/61/34/179116134.db2.gz KNSRYGGQPBOWMA-UHFFFAOYSA-N 0 3 280.125 2.490 10 0 CEAEHN Cc1csc(CN[C@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085636322 179109251 /nfs/dbraw/zinc/10/92/51/179109251.db2.gz FCMQSEOJEUHKMI-USWWRNFRSA-N 0 3 252.383 2.355 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1SCC ZINC000236912256 370652140 /nfs/dbraw/zinc/65/21/40/370652140.db2.gz BJXQUTLBQDTAAM-TUAOUCFPSA-N 0 3 258.431 2.294 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000236919201 370654670 /nfs/dbraw/zinc/65/46/70/370654670.db2.gz FVWBUIVBULMTRD-HIFRSBDPSA-N 0 3 262.397 2.478 10 0 CEAEHN CCN[C@@H](CCO)C[S@](=O)c1ccc(C(C)C)cc1 ZINC000085927174 179202374 /nfs/dbraw/zinc/20/23/74/179202374.db2.gz ZARIFTNJWRFWLM-IFXJQAMLSA-N 0 3 283.437 2.278 10 0 CEAEHN Brc1cn2c(CNC3CCC3)cnc2cn1 ZINC000086004240 179214704 /nfs/dbraw/zinc/21/47/04/179214704.db2.gz AXLHBFTXHCORGC-UHFFFAOYSA-N 0 3 281.157 2.134 10 0 CEAEHN Cc1ccc(NC(=O)[C@@H](C)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085986091 179211728 /nfs/dbraw/zinc/21/17/28/179211728.db2.gz VCSAHRAJRYKNAV-YCPHGPKFSA-N 0 3 290.407 2.463 10 0 CEAEHN O=C(CNC[C@@H]1CCCC[C@H]1O)Nc1ccccc1Cl ZINC000085987654 179212807 /nfs/dbraw/zinc/21/28/07/179212807.db2.gz MBFQPYVHJFASJF-SMDDNHRTSA-N 0 3 296.798 2.419 10 0 CEAEHN C[C@@H]1[C@@H](C)CC[C@@H]1NCc1nnnn1-c1ccccc1 ZINC000086076817 179225965 /nfs/dbraw/zinc/22/59/65/179225965.db2.gz NNKBBAHLYXNTSX-SCRDCRAPSA-N 0 3 271.368 2.187 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000086021186 179218447 /nfs/dbraw/zinc/21/84/47/179218447.db2.gz AJGLFTDVVMNZGH-CVEARBPZSA-N 0 3 293.432 2.261 10 0 CEAEHN CCCN[C@H](c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022381 179218826 /nfs/dbraw/zinc/21/88/26/179218826.db2.gz HUSPGDURVDVXQR-OCCSQVGLSA-N 0 3 285.409 2.372 10 0 CEAEHN CCOC(=O)[C@@](CC)(NCCN(CC)CC)C1CC1 ZINC000086121185 179235970 /nfs/dbraw/zinc/23/59/70/179235970.db2.gz SZCGPMAABSDAIA-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN c1nc(CCN2CCN[C@@H](c3ccccc3)C2)cs1 ZINC000086149475 179240814 /nfs/dbraw/zinc/24/08/14/179240814.db2.gz KQAVOBRTODZVLN-OAHLLOKOSA-N 0 3 273.405 2.332 10 0 CEAEHN Oc1ccc([C@@H]2CN[C@@H](c3ccc(O)cc3)CN2)cc1 ZINC000065734882 362845673 /nfs/dbraw/zinc/84/56/73/362845673.db2.gz FPPBMXVCCCEYJD-IYBDPMFKSA-N 0 3 270.332 2.073 10 0 in-vitro CEAEHN COc1cc(CN2CCNC[C@H]2c2ccccc2)ccn1 ZINC000086177788 179246557 /nfs/dbraw/zinc/24/65/57/179246557.db2.gz KHOANTJFCJAKNP-INIZCTEOSA-N 0 3 283.375 2.237 10 0 CEAEHN Cc1cc(CN2CCN[C@H](c3ccccc3)C2)on1 ZINC000086146396 179239216 /nfs/dbraw/zinc/23/92/16/179239216.db2.gz YXIBXGOTEBYEGY-HNNXBMFYSA-N 0 3 257.337 2.130 10 0 CEAEHN CSCCN1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086266180 179261695 /nfs/dbraw/zinc/26/16/95/179261695.db2.gz BIASNEIGAPQRLL-GXTWGEPZSA-N 0 3 250.411 2.384 10 0 CEAEHN C[C@H]1CN[C@@](C)(c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265220 179262372 /nfs/dbraw/zinc/26/23/72/179262372.db2.gz JLLFEPIUGLKBMW-USXIJHARSA-N 0 3 274.408 2.375 10 0 CEAEHN CC(C)N1C(=O)C[C@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317447 179270523 /nfs/dbraw/zinc/27/05/23/179270523.db2.gz CKPKBXQTHCMTHH-LRDDRELGSA-N 0 3 269.348 2.244 10 0 CEAEHN CC[C@@H]1COCCN1c1nc2c(s1)CCC[C@@H]2N ZINC000086442940 179294247 /nfs/dbraw/zinc/29/42/47/179294247.db2.gz QMKVJVVOIIFPFR-ZJUUUORDSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccsc2)[C@H](CC)CN1 ZINC000086446026 179294655 /nfs/dbraw/zinc/29/46/55/179294655.db2.gz PQKFTEPANLZBFS-VXGBXAGGSA-N 0 3 252.383 2.351 10 0 CEAEHN COC(OC)[C@@H](N)Cc1ccc(Cl)cc1Cl ZINC000086451800 179296501 /nfs/dbraw/zinc/29/65/01/179296501.db2.gz HUYIDTZZPXNSLA-JTQLQIEISA-N 0 3 264.152 2.482 10 0 CEAEHN CCC(CC)(CC)NS(=O)(=O)c1ccccc1CN ZINC000086642859 179315804 /nfs/dbraw/zinc/31/58/04/179315804.db2.gz HUAPQIVUMYTWDU-UHFFFAOYSA-N 0 3 284.425 2.392 10 0 CEAEHN O[C@H](c1ccc2c(c1)OCCO2)[C@H]1NCc2ccccc21 ZINC000086667105 179316901 /nfs/dbraw/zinc/31/69/01/179316901.db2.gz QFLNJKZMYGYQSO-DLBZAZTESA-N 0 3 283.327 2.336 10 0 CEAEHN COC(=O)[C@@]1(Nc2ccccc2)CCCN(C)CC1 ZINC000086819807 179348096 /nfs/dbraw/zinc/34/80/96/179348096.db2.gz NJDHHEPVQWGKTN-OAHLLOKOSA-N 0 3 262.353 2.126 10 0 CEAEHN CCCN1CCC[C@](N[C@@H](C)CC)(C(=O)OC)CC1 ZINC000086850507 179357819 /nfs/dbraw/zinc/35/78/19/179357819.db2.gz CSNRTLWNBVKCID-DZGCQCFKSA-N 0 3 270.417 2.182 10 0 CEAEHN CN1CCC[C@@](NC2CC2)(c2nccs2)CC1 ZINC000086833745 179350470 /nfs/dbraw/zinc/35/04/70/179350470.db2.gz YBBHCSYHXHALLV-ZDUSSCGKSA-N 0 3 251.399 2.206 10 0 CEAEHN CCCN1CCC[C@](CC(=O)[O-])([NH+](CC)CC)CC1 ZINC000086868499 179360088 /nfs/dbraw/zinc/36/00/88/179360088.db2.gz WBHGZILFZWXXDJ-HNNXBMFYSA-N 0 3 270.417 2.438 10 0 CEAEHN CC(C)N1CCC[C@H]([N@@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868694 179361643 /nfs/dbraw/zinc/36/16/43/179361643.db2.gz NBCXZIQGQCWCCG-AWEZNQCLSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)N1CCC[C@H]([N@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868694 179361645 /nfs/dbraw/zinc/36/16/45/179361645.db2.gz NBCXZIQGQCWCCG-AWEZNQCLSA-N 0 3 268.401 2.046 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1ccc2ccccc2n1 ZINC000086979647 179373478 /nfs/dbraw/zinc/37/34/78/179373478.db2.gz JTBLCURWNJPSMG-CYBMUJFWSA-N 0 3 292.404 2.450 10 0 CEAEHN COCCN[C@@]1(C(N)=O)CCC[C@H](C(C)(C)C)CC1 ZINC000086959939 179369008 /nfs/dbraw/zinc/36/90/08/179369008.db2.gz QMFZXGSSHKTQIX-WFASDCNBSA-N 0 3 270.417 2.073 10 0 CEAEHN COCCCc1nc(C)c(CNC(C)C)c(C)n1 ZINC000086971586 179370857 /nfs/dbraw/zinc/37/08/57/179370857.db2.gz BMJXKIXZNNVLHT-UHFFFAOYSA-N 0 3 251.374 2.170 10 0 CEAEHN CCC(O)(CC)CNCC(=O)Nc1ccccc1C ZINC000087028587 179382060 /nfs/dbraw/zinc/38/20/60/179382060.db2.gz UDRHGEMGKDOOEF-UHFFFAOYSA-N 0 3 264.369 2.074 10 0 CEAEHN Cc1cc([C@H](N)CCC(N)=O)sc1Br ZINC000087019499 179381218 /nfs/dbraw/zinc/38/12/18/179381218.db2.gz VNWFGXXZESVVOW-ZCFIWIBFSA-N 0 3 277.187 2.084 10 0 CEAEHN COc1cc(OC)c([C@@H]2CNCC(C)(C)O2)cc1OC ZINC000087090395 179394325 /nfs/dbraw/zinc/39/43/25/179394325.db2.gz CNMQMKTYQNTCOO-AWEZNQCLSA-N 0 3 281.352 2.152 10 0 CEAEHN C[C@H](NC[C@@]1(O)CCC[C@@H](C)C1)C(=O)NC1CCCCC1 ZINC000087065683 179389983 /nfs/dbraw/zinc/38/99/83/179389983.db2.gz BUCSMSJRDQALLA-JKIFEVAISA-N 0 3 296.455 2.355 10 0 CEAEHN C[C@H](NC[C@]1(O)CCC[C@@H](C)C1)C(=O)N1CCCCCC1 ZINC000087064998 179390305 /nfs/dbraw/zinc/39/03/05/179390305.db2.gz SOWJXVJTBQSNHC-VYDXJSESSA-N 0 3 296.455 2.308 10 0 CEAEHN C[C@H]1CCC[C@](N)(C(=O)NCC2(O)CCC(C)(C)CC2)C1 ZINC000087068908 179391307 /nfs/dbraw/zinc/39/13/07/179391307.db2.gz NQEWNPRGRKLKAK-SUMWQHHRSA-N 0 3 296.455 2.342 10 0 CEAEHN C[C@@H]1CCC[C@@](N)(C(=O)NCC2(O)CCCCCC2)C1 ZINC000087089880 179393702 /nfs/dbraw/zinc/39/37/02/179393702.db2.gz ZUACLUATXFYIKD-CJNGLKHVSA-N 0 3 282.428 2.096 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087090225 179393946 /nfs/dbraw/zinc/39/39/46/179393946.db2.gz ASSNDCNXAOXTCG-WFASDCNBSA-N 0 3 263.337 2.287 10 0 CEAEHN CCN[C@H](COC)Cc1nc(CS[C@@H](C)CC)no1 ZINC000087140989 179397170 /nfs/dbraw/zinc/39/71/70/179397170.db2.gz JMNJEOIULWUUEN-QWRGUYRKSA-N 0 3 287.429 2.268 10 0 CEAEHN CC[C@@H](C)SCc1nc(C[NH2+]C(C)C)cc(=O)[n-]1 ZINC000087141588 179397485 /nfs/dbraw/zinc/39/74/85/179397485.db2.gz NQDBVASXNTWMDB-SNVBAGLBSA-N 0 3 269.414 2.300 10 0 CEAEHN CC(C)(C)SCc1nc(C[NH2+]C2CC2)cc(=O)[n-]1 ZINC000087120849 179395920 /nfs/dbraw/zinc/39/59/20/179395920.db2.gz FVXJQVVWZZTVRU-UHFFFAOYSA-N 0 3 267.398 2.054 10 0 CEAEHN CCC[NH2+]Cc1cc(=O)[n-]c(CSCC(C)C)n1 ZINC000087126387 179396285 /nfs/dbraw/zinc/39/62/85/179396285.db2.gz QLODJNTZNDEDFD-UHFFFAOYSA-N 0 3 269.414 2.159 10 0 CEAEHN CN[C@@H](CC(=O)OC)c1ccccc1OC(F)(F)F ZINC000087552806 179445337 /nfs/dbraw/zinc/44/53/37/179445337.db2.gz JFFPQAYNMBOMPV-VIFPVBQESA-N 0 3 277.242 2.409 10 0 CEAEHN CC(=O)[C@@H]1CCCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616631223 348540995 /nfs/dbraw/zinc/54/09/95/348540995.db2.gz ZXFVZJMXAQOFQF-CYBMUJFWSA-N 0 3 284.400 2.202 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CN(C(C)(C)C)CCCO1 ZINC000616650092 348547718 /nfs/dbraw/zinc/54/77/18/348547718.db2.gz STIDCPVSVKJMAA-GFCCVEGCSA-N 0 3 286.416 2.401 10 0 CEAEHN c1cn([C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000616653454 348549170 /nfs/dbraw/zinc/54/91/70/348549170.db2.gz WPBBUTFYDVVBHQ-HNNXBMFYSA-N 0 3 257.337 2.304 10 0 CEAEHN CCCC(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000616571171 348524418 /nfs/dbraw/zinc/52/44/18/348524418.db2.gz POYFHQVMSZSFJH-KGLIPLIRSA-N 0 3 264.344 2.269 10 0 CEAEHN CCN1CCOC[C@H](c2cccc(NC(C)=O)c2)C1 ZINC000616592141 348527459 /nfs/dbraw/zinc/52/74/59/348527459.db2.gz BXGNYPOTAQVBOL-CQSZACIVSA-N 0 3 262.353 2.081 10 0 CEAEHN CCOC(=O)c1ccc([C@H]2CCN(C)CCO2)cc1 ZINC000616593054 348527555 /nfs/dbraw/zinc/52/75/55/348527555.db2.gz HHBIJCYWVRUYPH-CQSZACIVSA-N 0 3 263.337 2.257 10 0 CEAEHN CC(C)(C)N1CCOCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616597676 348528916 /nfs/dbraw/zinc/52/89/16/348528916.db2.gz HXVUQRGGQGBTIC-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN CC(C)N1CCOCC[C@H]1CNC(=O)OC(C)(C)C ZINC000616598308 348529285 /nfs/dbraw/zinc/52/92/85/348529285.db2.gz ONXPEGGPSOIXCQ-LBPRGKRZSA-N 0 3 272.389 2.010 10 0 CEAEHN CC(C)N1CCCOC[C@@H]1c1ccccc1CCO ZINC000616599990 348530429 /nfs/dbraw/zinc/53/04/29/348530429.db2.gz VRQWSRJDDZYWKZ-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN CN[C@H](c1cnccc1N)[C@H]1COc2ccccc2C1 ZINC000088021444 179536521 /nfs/dbraw/zinc/53/65/21/179536521.db2.gz AWWIFDNXQISGDN-WBMJQRKESA-N 0 3 269.348 2.176 10 0 CEAEHN CCN1CCOC[C@H](c2cccc3nnccc32)C1 ZINC000616662056 348552724 /nfs/dbraw/zinc/55/27/24/348552724.db2.gz ZTYQIBSPMGDECD-GFCCVEGCSA-N 0 3 257.337 2.066 10 0 CEAEHN CC(C)[C@@H]1COCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616662395 348553521 /nfs/dbraw/zinc/55/35/21/348553521.db2.gz AMJMUOSLUYYTHY-ZDUSSCGKSA-N 0 3 286.416 2.116 10 0 CEAEHN c1nc([C@H]2COCCN(Cc3ccccc3)C2)c[nH]1 ZINC000616664111 348554805 /nfs/dbraw/zinc/55/48/05/348554805.db2.gz ULLHJFVVDUZOSL-CQSZACIVSA-N 0 3 257.337 2.026 10 0 CEAEHN OCCN1CCc2ccccc2[C@H]1c1cccc(CO)c1 ZINC000616679886 348559106 /nfs/dbraw/zinc/55/91/06/348559106.db2.gz ZXLJGIDHGPWDLN-GOSISDBHSA-N 0 3 283.371 2.119 10 0 CEAEHN Cc1nc(Cl)c(NC[C@@H]2CCN(C)C2)nc1C ZINC000088496736 179614149 /nfs/dbraw/zinc/61/41/49/179614149.db2.gz YKKRGXICKLXMIB-JTQLQIEISA-N 0 3 254.765 2.110 10 0 CEAEHN CCSc1nc2sccn2c1CNCCOC ZINC000104290788 185956700 /nfs/dbraw/zinc/95/67/00/185956700.db2.gz QBKJOVZWDXRVNQ-UHFFFAOYSA-N 0 3 271.411 2.244 10 0 CEAEHN COc1ccccc1NC(=O)CNC[C@@](C)(O)CC(C)C ZINC000090272396 179944616 /nfs/dbraw/zinc/94/46/16/179944616.db2.gz AOYSWOLWMRCYPO-INIZCTEOSA-N 0 3 294.395 2.020 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000623765408 350106627 /nfs/dbraw/zinc/10/66/27/350106627.db2.gz SOTCSLRTAQMUIF-NWDGAFQWSA-N 0 3 276.163 2.233 10 0 CEAEHN CC(C)c1cccc(NC(=O)[C@]2(C)COC[C@@H]2N)c1 ZINC000090582352 180008268 /nfs/dbraw/zinc/00/82/68/180008268.db2.gz HDJMXRFUKTYWNQ-DZGCQCFKSA-N 0 3 262.353 2.112 10 0 CEAEHN CC(C)COc1ccccc1NC(=O)[C@]1(C)COC[C@H]1N ZINC000090590055 180009970 /nfs/dbraw/zinc/00/99/70/180009970.db2.gz OXZNMWMZTRNHLL-GDBMZVCRSA-N 0 3 292.379 2.024 10 0 CEAEHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@]1(C)COC[C@@H]1N ZINC000090590675 180010667 /nfs/dbraw/zinc/01/06/67/180010667.db2.gz WLBWJPXXRQZOMS-JLJPHGGASA-N 0 3 290.407 2.178 10 0 CEAEHN C[C@H](OCC(=O)Nc1ccccc1CN)C(F)(F)F ZINC000090671974 180021250 /nfs/dbraw/zinc/02/12/50/180021250.db2.gz KUCDFLRIVGLKEH-QMMMGPOBSA-N 0 3 276.258 2.051 10 0 CEAEHN COc1ccc2nc(-c3csc(CN)n3)[nH]c2c1 ZINC000090932865 180066857 /nfs/dbraw/zinc/06/68/57/180066857.db2.gz UBCYLTOBRPZKLH-UHFFFAOYSA-N 0 3 260.322 2.154 10 0 CEAEHN COc1ncnc(N[C@@H](C)CN2CCCCC2)c1C ZINC000090791062 180042759 /nfs/dbraw/zinc/04/27/59/180042759.db2.gz WDRRIGBACPXTLY-NSHDSACASA-N 0 3 264.373 2.080 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1ccnc(Cl)c1)[S@](C)=O ZINC000090843040 180044472 /nfs/dbraw/zinc/04/44/72/180044472.db2.gz MJDKQOWOIOSAAH-OMQMVUIESA-N 0 3 260.790 2.153 10 0 CEAEHN Cc1cc(CN2C[C@H]3CC[C@@H](C2)O3)oc1CNC(C)C ZINC000090907824 180062443 /nfs/dbraw/zinc/06/24/43/180062443.db2.gz RDTOYQAITQHWIC-OKILXGFUSA-N 0 3 278.396 2.449 10 0 CEAEHN Nc1ccccc1CNC[C@H]1Cc2ccccc2O1 ZINC000090962279 180076368 /nfs/dbraw/zinc/07/63/68/180076368.db2.gz LEKCUIQXHSALDK-CQSZACIVSA-N 0 3 254.333 2.362 10 0 CEAEHN O=C(Cn1cccc1CNC1CC1)Nc1ccccc1 ZINC000091001497 180083358 /nfs/dbraw/zinc/08/33/58/180083358.db2.gz ZVJNJOJRIKQKDP-UHFFFAOYSA-N 0 3 269.348 2.379 10 0 CEAEHN CCCn1c(C[C@@H]2CSCCN2)nc2cnccc21 ZINC000091128702 180100506 /nfs/dbraw/zinc/10/05/06/180100506.db2.gz QMHWEINPJICPPK-LLVKDONJSA-N 0 3 276.409 2.089 10 0 CEAEHN O=C(C[C@H]1CSCCN1)OC1CCCCCC1 ZINC000091130021 180100920 /nfs/dbraw/zinc/10/09/20/180100920.db2.gz NVESAODEVPAQHM-NSHDSACASA-N 0 3 257.399 2.348 10 0 CEAEHN C[C@@H](NC(=O)C[C@@H]1CSCCN1)c1cccs1 ZINC000091134406 180102745 /nfs/dbraw/zinc/10/27/45/180102745.db2.gz HEEKLVLWTYQTEV-NXEZZACHSA-N 0 3 270.423 2.020 10 0 CEAEHN CNCc1cnn(-c2ccncc2)c1C(F)(F)F ZINC000091337129 180136190 /nfs/dbraw/zinc/13/61/90/180136190.db2.gz LHPGHFSFSYDKPA-UHFFFAOYSA-N 0 3 256.231 2.006 10 0 CEAEHN CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1)c1cccnc1 ZINC000091361450 180141839 /nfs/dbraw/zinc/14/18/39/180141839.db2.gz DRLDIILZMJTBGZ-QEJZJMRPSA-N 0 3 273.380 2.355 10 0 CEAEHN COCCNCc1ccccc1S[C@H](C)CCO ZINC000091268178 180117107 /nfs/dbraw/zinc/11/71/07/180117107.db2.gz LUNTUEQKQJPPGO-GFCCVEGCSA-N 0 3 269.410 2.286 10 0 CEAEHN CC1CCC(CO)(NCc2cncn2C2CC2)CC1 ZINC000091275940 180118985 /nfs/dbraw/zinc/11/89/85/180118985.db2.gz XGPFIMORLAVSGQ-UHFFFAOYSA-N 0 3 263.385 2.249 10 0 CEAEHN CC1(C)CCN([C@@H](CN)c2cncn2C2CC2)CC1 ZINC000091276521 180120572 /nfs/dbraw/zinc/12/05/72/180120572.db2.gz DVHXWLCBHWSQOC-ZDUSSCGKSA-N 0 3 262.401 2.340 10 0 CEAEHN CCN(C(=O)C[C@H]1CSCCN1)c1ccccc1F ZINC000091290819 180122223 /nfs/dbraw/zinc/12/22/23/180122223.db2.gz URBLRUSJCOLHAH-NSHDSACASA-N 0 3 282.384 2.274 10 0 CEAEHN CCCNc1ncccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000091428623 180152835 /nfs/dbraw/zinc/15/28/35/180152835.db2.gz QGZZRINLKHUIEB-ZDUSSCGKSA-N 0 3 290.411 2.070 10 0 CEAEHN CNc1c(F)cc(C(=O)N2CCC[C@H](N(C)C)C2)cc1F ZINC000091432719 180153839 /nfs/dbraw/zinc/15/38/39/180153839.db2.gz FPRAMLZXUGCRSX-NSHDSACASA-N 0 3 297.349 2.173 10 0 CEAEHN C[C@H](N)c1cc(F)ccc1N(C)CC1CC(O)C1 ZINC000091451353 180158882 /nfs/dbraw/zinc/15/88/82/180158882.db2.gz YKPSZIZZKQRHGG-BMQDGWLCSA-N 0 3 252.333 2.053 10 0 CEAEHN OCC1CN(CCCOc2ccc(Cl)cc2)C1 ZINC000091478421 180166213 /nfs/dbraw/zinc/16/62/13/180166213.db2.gz QWCZXQFVYXGIOY-UHFFFAOYSA-N 0 3 255.745 2.033 10 0 CEAEHN CCN1C(=O)C[C@@H](N)[C@H]1c1ccc(Br)c(C)c1 ZINC000091476276 180166338 /nfs/dbraw/zinc/16/63/38/180166338.db2.gz VUSWGADBXIFGPG-DGCLKSJQSA-N 0 3 297.196 2.378 10 0 CEAEHN CCCN[C@H](Cc1ncccc1C)C(C)(C)S(C)(=O)=O ZINC000091384875 180144287 /nfs/dbraw/zinc/14/42/87/180144287.db2.gz UGQJPMPBJFFECS-CQSZACIVSA-N 0 3 298.452 2.124 10 0 CEAEHN CCNCc1cncc(N(C)c2ccc(OC)cc2)n1 ZINC000091420315 180150782 /nfs/dbraw/zinc/15/07/82/180150782.db2.gz QXPQZYHDCXIJNF-UHFFFAOYSA-N 0 3 272.352 2.363 10 0 CEAEHN CC[C@@H](C)N(CCOC)c1cncc(CNCC(C)C)n1 ZINC000091420641 180150905 /nfs/dbraw/zinc/15/09/05/180150905.db2.gz YZTWGFJEKBEBTE-CQSZACIVSA-N 0 3 294.443 2.474 10 0 CEAEHN Cc1cc(F)ccc1[C@@H](N)C(C)(C)N1CCOCC1 ZINC000091566316 180193941 /nfs/dbraw/zinc/19/39/41/180193941.db2.gz YPGRTGYXBBUFDT-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN CC(C)([C@@H](N)c1ccc(Cl)cc1)N1CCOCC1 ZINC000091566390 180194079 /nfs/dbraw/zinc/19/40/79/180194079.db2.gz HCRQEUHYZYUQTN-ZDUSSCGKSA-N 0 3 268.788 2.451 10 0 CEAEHN CCCn1ccnc1[C@H](NCC)C(C)(C)N1CCOCC1 ZINC000091567010 180194637 /nfs/dbraw/zinc/19/46/37/180194637.db2.gz DTYHYCJPBXWQOG-AWEZNQCLSA-N 0 3 294.443 2.055 10 0 CEAEHN CCCn1nccc1[C@@H](NCC)C(C)(C)N1CCOCC1 ZINC000091566869 180194977 /nfs/dbraw/zinc/19/49/77/180194977.db2.gz DCOCVJAXOGYVPI-OAHLLOKOSA-N 0 3 294.443 2.055 10 0 CEAEHN CC[C@@H](C)N1CCN(c2c(N)c(C(C)C)nn2C)CC1 ZINC000091578455 180198402 /nfs/dbraw/zinc/19/84/02/180198402.db2.gz NGZZHDMHTPEVMX-GFCCVEGCSA-N 0 3 279.432 2.046 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccc(C)cc1)N1CCOCC1 ZINC000091611656 180206772 /nfs/dbraw/zinc/20/67/72/180206772.db2.gz IDORQKXWNVHMDC-JKSUJKDBSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091611928 180206978 /nfs/dbraw/zinc/20/69/78/180206978.db2.gz BXIPGYAFNCATNA-LSDHHAIUSA-N 0 3 284.350 2.466 10 0 CEAEHN CCN[C@H](c1ccco1)[C@@](C)(CC)N1CCOCC1 ZINC000091612890 180206986 /nfs/dbraw/zinc/20/69/86/180206986.db2.gz KNMHUQWACNHULP-HUUCEWRRSA-N 0 3 266.385 2.431 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cccc(F)c1F)N1CCOCC1 ZINC000091612105 180207070 /nfs/dbraw/zinc/20/70/70/180207070.db2.gz PFDJBJGCQGDJBM-CABCVRRESA-N 0 3 284.350 2.466 10 0 CEAEHN CCCn1nccc1[C@H](NC)[C@@](C)(CC)N1CCOCC1 ZINC000091612393 180207098 /nfs/dbraw/zinc/20/70/98/180207098.db2.gz OQRPACDJBHBCGQ-JKSUJKDBSA-N 0 3 294.443 2.055 10 0 CEAEHN CCCn1nccc1[C@@H](NC)[C@@](C)(CC)N1CCOCC1 ZINC000091612394 180207534 /nfs/dbraw/zinc/20/75/34/180207534.db2.gz OQRPACDJBHBCGQ-HZPDHXFCSA-N 0 3 294.443 2.055 10 0 CEAEHN CC(C)([C@H](O)c1cc(Cl)cnc1N)N1CCCC1 ZINC000091532974 180181407 /nfs/dbraw/zinc/18/14/07/180181407.db2.gz VLRIGWWBBSBGLP-LLVKDONJSA-N 0 3 269.776 2.225 10 0 CEAEHN CCCn1ncnc1CC(=O)C1(N(CC)CC)CCCC1 ZINC000091638688 180212208 /nfs/dbraw/zinc/21/22/08/180212208.db2.gz HSQMZCSVKSLUNF-UHFFFAOYSA-N 0 3 292.427 2.454 10 0 CEAEHN O[C@@H](C1CCCC1)C1(N2CCOCC2)CCCC1 ZINC000091642674 180213860 /nfs/dbraw/zinc/21/38/60/180213860.db2.gz RBZYKPMVCAUXLX-AWEZNQCLSA-N 0 3 253.386 2.183 10 0 CEAEHN CCCn1ncnc1CC(=O)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091650735 180216312 /nfs/dbraw/zinc/21/63/12/180216312.db2.gz IRZDYOOEUYNXPA-CZUORRHYSA-N 0 3 292.427 2.310 10 0 CEAEHN CC(C)CN(CCN(C)C)c1nc(Cl)ncc1F ZINC000091655486 180216865 /nfs/dbraw/zinc/21/68/65/180216865.db2.gz UKMTVKFYTCSSJT-UHFFFAOYSA-N 0 3 274.771 2.293 10 0 CEAEHN CC[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1nc(C)cs1 ZINC000105307795 186051608 /nfs/dbraw/zinc/05/16/08/186051608.db2.gz CGNXPWDMEXMKPM-NEPJUHHUSA-N 0 3 296.440 2.248 10 0 CEAEHN C[C@H](c1ccccn1)N(C)C[C@H](O)COC(C)(C)C ZINC000091701972 180229927 /nfs/dbraw/zinc/22/99/27/180229927.db2.gz UOYBYHHGZXEOEX-OLZOCXBDSA-N 0 3 266.385 2.250 10 0 CEAEHN CCN[C@H](c1ccc(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718219 180233465 /nfs/dbraw/zinc/23/34/65/180233465.db2.gz WIANEBVHUXBCNG-JKSUJKDBSA-N 0 3 262.397 2.285 10 0 CEAEHN CN[C@H](CN(C)C)c1ccccc1OC(F)(F)F ZINC000091719691 180234049 /nfs/dbraw/zinc/23/40/49/180234049.db2.gz LGGDXJMQILFPCY-SNVBAGLBSA-N 0 3 262.275 2.407 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1csc(Cl)c1 ZINC000624238218 350241271 /nfs/dbraw/zinc/24/12/71/350241271.db2.gz MNDZCLGACUIIGS-HGNGGELXSA-N 0 3 261.774 2.202 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@H](CC)NC[C@@H]2CC)o1 ZINC000091762860 180248467 /nfs/dbraw/zinc/24/84/67/180248467.db2.gz LJUKKTBYCPZLJK-RYUDHWBXSA-N 0 3 264.369 2.445 10 0 CEAEHN Cc1cccc(NC(=O)Cn2cccc2[C@H](C)N)c1 ZINC000091799852 180259478 /nfs/dbraw/zinc/25/94/78/180259478.db2.gz TXJBMBBZPONKBW-LBPRGKRZSA-N 0 3 257.337 2.455 10 0 CEAEHN CCN[C@H](c1cccs1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722023 180239839 /nfs/dbraw/zinc/23/98/39/180239839.db2.gz CZQRTVOZXVZPNH-BZPMIXESSA-N 0 3 266.410 2.262 10 0 CEAEHN CCN[C@H](C)c1sc([C@@H]2CN(C)CCO2)nc1C ZINC000091722423 180240622 /nfs/dbraw/zinc/24/06/22/180240622.db2.gz VEIGEHNJENXWKP-KOLCDFICSA-N 0 3 269.414 2.125 10 0 CEAEHN CCN[C@H](c1cc(F)cc(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721825 180240734 /nfs/dbraw/zinc/24/07/34/180240734.db2.gz SEKOYYFFPQGRLC-OWCLPIDISA-N 0 3 296.361 2.479 10 0 CEAEHN CN1CCO[C@@H](c2nc(CN)c(-c3ccccc3)s2)C1 ZINC000091723186 180241947 /nfs/dbraw/zinc/24/19/47/180241947.db2.gz UEHMDRYQMMQRDD-CYBMUJFWSA-N 0 3 289.404 2.272 10 0 CEAEHN Cc1noc(CCNCc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000105469154 186059028 /nfs/dbraw/zinc/05/90/28/186059028.db2.gz NTFKKTVCTLYWEI-UHFFFAOYSA-N 0 3 287.363 2.424 10 0 CEAEHN Cc1noc(CCNCc2c[nH]nc2-c2ccccc2)n1 ZINC000105469927 186059338 /nfs/dbraw/zinc/05/93/38/186059338.db2.gz QFJKCLSQXWNSHB-UHFFFAOYSA-N 0 3 283.335 2.100 10 0 CEAEHN C[NH2+]C1CCC(N(C)C(=O)c2cccc(C)c2[O-])CC1 ZINC000091854428 180274295 /nfs/dbraw/zinc/27/42/95/180274295.db2.gz PGAOGRKJQHNHPB-UHFFFAOYSA-N 0 3 276.380 2.303 10 0 CEAEHN CCCN1C(=O)C[C@H](NC(C)(C)CC(C)(C)C)C1=O ZINC000105647774 186067209 /nfs/dbraw/zinc/06/72/09/186067209.db2.gz SUWUUBRKJAAPOI-NSHDSACASA-N 0 3 268.401 2.328 10 0 CEAEHN CCN1CCO[C@@H](COc2ccc(C)cc2[C@@H](C)NC)C1 ZINC000092051183 180313048 /nfs/dbraw/zinc/31/30/48/180313048.db2.gz WPUQYFYOXBDTLC-HUUCEWRRSA-N 0 3 292.423 2.375 10 0 CEAEHN Cc1ccc(OC[C@H](O)C(F)(F)F)c(CNC(C)C)n1 ZINC000091995546 180302328 /nfs/dbraw/zinc/30/23/28/180302328.db2.gz MXXBOKJAQAUSLN-LBPRGKRZSA-N 0 3 292.301 2.190 10 0 CEAEHN CCCc1nc(N2CC[C@H]3CC[C@@H](C2)N3C)sc1CO ZINC000092004885 180305226 /nfs/dbraw/zinc/30/52/26/180305226.db2.gz WQJMFLKFZWQXNP-NEPJUHHUSA-N 0 3 295.452 2.261 10 0 CEAEHN CCNCc1ccccc1S(=O)(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092113834 180327635 /nfs/dbraw/zinc/32/76/35/180327635.db2.gz CAFQABJASCHKQE-STQMWFEESA-N 0 3 296.436 2.073 10 0 CEAEHN COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)[C@@H](C)C2)c(N)c1 ZINC000092081644 180319224 /nfs/dbraw/zinc/31/92/24/180319224.db2.gz DWNYJBPMOQBPLU-SRVKXCTJSA-N 0 3 291.395 2.192 10 0 CEAEHN C[C@H]1CN(c2ncc(CNC3CC3)s2)C[C@H]1C ZINC000092089671 180321830 /nfs/dbraw/zinc/32/18/30/180321830.db2.gz MSENHKCNDFNZQO-AOOOYVTPSA-N 0 3 251.399 2.487 10 0 CEAEHN CCCN[C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccccc1 ZINC000092094012 180322858 /nfs/dbraw/zinc/32/28/58/180322858.db2.gz ABUUGRJCLLRALI-GUTXKFCHSA-N 0 3 288.391 2.368 10 0 CEAEHN CCc1ccc([C@H](CN2C(=O)[C@H](C)[C@H](C)C2=O)NC)cc1 ZINC000092094122 180322972 /nfs/dbraw/zinc/32/29/72/180322972.db2.gz JNILZPDNTOOZPZ-ZOWXZIJZSA-N 0 3 288.391 2.151 10 0 CEAEHN Cc1cc(C)c([C@H](N)CN2C(=O)[C@H](C)[C@H](C)C2=O)c(C)c1 ZINC000092094306 180323214 /nfs/dbraw/zinc/32/32/14/180323214.db2.gz MNMUCDQYGFBCJD-HZSPNIEDSA-N 0 3 288.391 2.253 10 0 CEAEHN CSc1ccc(C(=O)N2[C@@H](C)CNC[C@@H]2C)cc1 ZINC000092232194 180348551 /nfs/dbraw/zinc/34/85/51/180348551.db2.gz KVSNCMPZPOBERZ-QWRGUYRKSA-N 0 3 264.394 2.231 10 0 CEAEHN Cc1ncc(CN)n1C[C@H]1Cc2ccccc2S1 ZINC000092271963 180356397 /nfs/dbraw/zinc/35/63/97/180356397.db2.gz PHDZAPDUMNTGSJ-CYBMUJFWSA-N 0 3 259.378 2.367 10 0 CEAEHN CC(C)(N)c1cn(C[C@H]2CSc3ccccc32)nn1 ZINC000092292862 180357747 /nfs/dbraw/zinc/35/77/47/180357747.db2.gz HKENOBRKBXOOMY-JTQLQIEISA-N 0 3 274.393 2.361 10 0 CEAEHN C[C@@H](O)CN1CCN(CCc2ccccc2Cl)C[C@H]1C ZINC000105824618 186073612 /nfs/dbraw/zinc/07/36/12/186073612.db2.gz JFYFTCGYUVTWKM-ZIAGYGMSSA-N 0 3 296.842 2.269 10 0 CEAEHN COc1ccc(OC)c([C@@H](CN)NCc2ccccc2)c1 ZINC000106024076 186098676 /nfs/dbraw/zinc/09/86/76/186098676.db2.gz HJCMBBYPNWWNOP-MRXNPFEDSA-N 0 3 286.375 2.493 10 0 CEAEHN CCOC(=O)[C@H](C)CN[C@H](C)c1c(C)noc1C ZINC000092332359 180364456 /nfs/dbraw/zinc/36/44/56/180364456.db2.gz YMIXREMMBCTCFL-RKDXNWHRSA-N 0 3 254.330 2.141 10 0 CEAEHN CCOC(=O)[C@@H](C)CN[C@H](C)c1c(C)noc1C ZINC000092332357 180364634 /nfs/dbraw/zinc/36/46/34/180364634.db2.gz YMIXREMMBCTCFL-DTWKUNHWSA-N 0 3 254.330 2.141 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2ccccc2Cl)C[C@H]1C ZINC000106101174 186101410 /nfs/dbraw/zinc/10/14/10/186101410.db2.gz MXPOFHOIRXIEET-CHWSQXEVSA-N 0 3 282.815 2.227 10 0 CEAEHN COCCN1CCN(Cc2cccc3cccnc32)C[C@@H]1C ZINC000106108476 186103053 /nfs/dbraw/zinc/10/30/53/186103053.db2.gz UKFDANRSJGEQAO-HNNXBMFYSA-N 0 3 299.418 2.387 10 0 CEAEHN Cc1cc(-c2nc3c(c(NN)n2)CCC3)cc(C)c1O ZINC000106865591 186143827 /nfs/dbraw/zinc/14/38/27/186143827.db2.gz DRZBOKGZECTUGE-UHFFFAOYSA-N 0 3 270.336 2.240 10 0 CEAEHN COc1cc(CNC2=N[C@@H](C(C)C)CS2)ccn1 ZINC000092402657 180378447 /nfs/dbraw/zinc/37/84/47/180378447.db2.gz IVXKHEUZENPHKM-LLVKDONJSA-N 0 3 265.382 2.307 10 0 CEAEHN CN1CCN(Cc2cc(N)ccn2)[C@H](c2ccccc2)C1 ZINC000092418013 180380707 /nfs/dbraw/zinc/38/07/07/180380707.db2.gz OTSXFSJYNQPTRQ-KRWDZBQOSA-N 0 3 282.391 2.153 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](n1ccnc1C)CC2 ZINC000092386058 180373530 /nfs/dbraw/zinc/37/35/30/180373530.db2.gz HNCKXJPVBWPNSY-GJZGRUSLSA-N 0 3 257.337 2.387 10 0 CEAEHN CCN[C@H]1c2cc(OC)ccc2CC[C@H]1n1cncn1 ZINC000092386016 180373594 /nfs/dbraw/zinc/37/35/94/180373594.db2.gz HBDKNCLRJNAEAU-CABCVRRESA-N 0 3 272.352 2.125 10 0 CEAEHN CC(C)(CN[C@H](c1ccccc1)C1CC1)NS(C)(=O)=O ZINC000109040860 186241346 /nfs/dbraw/zinc/24/13/46/186241346.db2.gz IKJVWHUXZYZBQZ-CQSZACIVSA-N 0 3 296.436 2.055 10 0 CEAEHN CCN[C@H](COC)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000109505962 186257837 /nfs/dbraw/zinc/25/78/37/186257837.db2.gz RIZKEIUWYPKKME-AWEZNQCLSA-N 0 3 289.379 2.466 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC(F)(F)C[C@H]1C ZINC000625980896 350619631 /nfs/dbraw/zinc/61/96/31/350619631.db2.gz WSYKOAUQLIRKTQ-NEPJUHHUSA-N 0 3 265.344 2.284 10 0 CEAEHN CNCc1cc(OCCCOC)c2ccccc2n1 ZINC000109589942 186264909 /nfs/dbraw/zinc/26/49/09/186264909.db2.gz UUKUAODNPSECBK-UHFFFAOYSA-N 0 3 260.337 2.370 10 0 CEAEHN CNCc1cc(-n2nc(C)nc2C)c2ccccc2n1 ZINC000109589647 186265148 /nfs/dbraw/zinc/26/51/48/186265148.db2.gz VENLBOJGJNFSFK-UHFFFAOYSA-N 0 3 267.336 2.152 10 0 CEAEHN Nc1cccc(F)c1CN1CCC[C@H]1CCCO ZINC000109427820 186251780 /nfs/dbraw/zinc/25/17/80/186251780.db2.gz AIDDMUKMWMMORN-NSHDSACASA-N 0 3 252.333 2.145 10 0 CEAEHN CC[C@@H](C(N)=S)N1CCN(CCC(C)(C)C)CC1 ZINC000109469261 186253676 /nfs/dbraw/zinc/25/36/76/186253676.db2.gz BVOCJSZCTYAWPF-LBPRGKRZSA-N 0 3 271.474 2.105 10 0 CEAEHN C[C@@H](C(N)=S)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000109468835 186254036 /nfs/dbraw/zinc/25/40/36/186254036.db2.gz GOUZQCNJKPMFSB-NSHDSACASA-N 0 3 297.855 2.132 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(CCC(C)(C)C)CC1 ZINC000109470069 186254159 /nfs/dbraw/zinc/25/41/59/186254159.db2.gz IYRZEYGFLMUXNI-CYBMUJFWSA-N 0 3 285.501 2.495 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000110107514 186285889 /nfs/dbraw/zinc/28/58/89/186285889.db2.gz GFJBYGFZNIAFKL-OAHLLOKOSA-N 0 3 299.374 2.041 10 0 CEAEHN CCc1nc(N2CC[C@@H](N(CC)CC)C2)sc1C=O ZINC000110272189 186289717 /nfs/dbraw/zinc/28/97/17/186289717.db2.gz QPVUULRMPULWGE-LLVKDONJSA-N 0 3 281.425 2.439 10 0 CEAEHN CCN[C@H](CO[C@@H]1CCOC1)c1ccc(OC)cc1 ZINC000110526236 186300646 /nfs/dbraw/zinc/30/06/46/186300646.db2.gz MLAKGJMUJOADMW-HUUCEWRRSA-N 0 3 265.353 2.151 10 0 CEAEHN CCCOc1cc(NCCN(C)C)c(N)cc1F ZINC000110635973 186307355 /nfs/dbraw/zinc/30/73/55/186307355.db2.gz LVCGKKSSFACUEP-UHFFFAOYSA-N 0 3 255.337 2.170 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(N)c3cccnc23)CCN1C ZINC000110703586 186314949 /nfs/dbraw/zinc/31/49/49/186314949.db2.gz AVTQCERTNFZYJO-AWEZNQCLSA-N 0 3 284.407 2.343 10 0 CEAEHN C[C@H]1CN([C@@H](CC(N)=S)c2ccccc2)CCN1C ZINC000110719679 186316701 /nfs/dbraw/zinc/31/67/01/186316701.db2.gz GMNIGOYEDWFTFN-JSGCOSHPSA-N 0 3 277.437 2.040 10 0 CEAEHN CCOc1ccc([C@@H](O)CN2CCN(C)[C@@H](CC)C2)cc1 ZINC000110736272 186317318 /nfs/dbraw/zinc/31/73/18/186317318.db2.gz PFRQBWHDAHZOTC-RDJZCZTQSA-N 0 3 292.423 2.145 10 0 CEAEHN CCN1CCN([C@@H]2CCc3ccccc3[C@@H]2O)C[C@@H]1C ZINC000110735689 186318011 /nfs/dbraw/zinc/31/80/11/186318011.db2.gz QLFXLDCJNFRBQK-XKQJLSEDSA-N 0 3 274.408 2.061 10 0 CEAEHN CCCNc1ncccc1CN1CCN(C)C(C)(C)C1 ZINC000110743231 186319361 /nfs/dbraw/zinc/31/93/61/186319361.db2.gz AXCHHTRPCFJGBT-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CCNCc1cc(CN2CCN(C)[C@@H](CC)C2)c(C)o1 ZINC000110754464 186321051 /nfs/dbraw/zinc/32/10/51/186321051.db2.gz NLEZVEZKUWOPAW-HNNXBMFYSA-N 0 3 279.428 2.224 10 0 CEAEHN C[C@@H]1CN(Cc2cc(CNC(C)(C)C)co2)CCN1C ZINC000110751126 186321980 /nfs/dbraw/zinc/32/19/80/186321980.db2.gz NCQJPIMUXUHREL-CYBMUJFWSA-N 0 3 279.428 2.304 10 0 CEAEHN CN[C@@H](C)c1c(F)cccc1SCCS(C)(=O)=O ZINC000111005130 186342556 /nfs/dbraw/zinc/34/25/56/186342556.db2.gz UIMNOOLHUAIVAR-VIFPVBQESA-N 0 3 291.413 2.243 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1c(N)cccc1Cl ZINC000111011693 186343091 /nfs/dbraw/zinc/34/30/91/186343091.db2.gz GOKUGRLFEXXAAG-JTQLQIEISA-N 0 3 281.787 2.136 10 0 CEAEHN CCN(C[C@H]1CCCO1)[C@@H](CN)c1cccc(F)c1F ZINC000111039536 186346835 /nfs/dbraw/zinc/34/68/35/186346835.db2.gz ILMXAYPPZMPEQU-RISCZKNCSA-N 0 3 284.350 2.466 10 0 CEAEHN NN=c1[nH]cc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC000111104336 186352699 /nfs/dbraw/zinc/35/26/99/186352699.db2.gz FBVRAHRGKXHXNN-AEJSXWLSSA-N 0 3 294.786 2.187 10 0 CEAEHN CCCOCCO[C@@H]1COc2ccccc2[C@@H]1NC ZINC000111108047 186354037 /nfs/dbraw/zinc/35/40/37/186354037.db2.gz IXXHZKYPYHSUHW-CABCVRRESA-N 0 3 265.353 2.151 10 0 CEAEHN CCOCCN(CC)C[C@](C)(CO)c1ccccc1 ZINC000111123267 186355139 /nfs/dbraw/zinc/35/51/39/186355139.db2.gz SKCAVGQTERCJQS-MRXNPFEDSA-N 0 3 265.397 2.295 10 0 CEAEHN CCOCCN(CC)C[C@H](O)c1ccc(OC)cc1 ZINC000111121468 186355463 /nfs/dbraw/zinc/35/54/63/186355463.db2.gz KCJGWHURMXZTEQ-HNNXBMFYSA-N 0 3 267.369 2.087 10 0 CEAEHN C[C@@H](O)c1ccc(N(C)CCN(C)C)c(Cl)c1 ZINC000111139264 186357576 /nfs/dbraw/zinc/35/75/76/186357576.db2.gz GZRAHSOGPHXQCM-SNVBAGLBSA-N 0 3 256.777 2.391 10 0 CEAEHN Cc1ccc(C)c(C(=O)[C@H](C)N(C)CCN(C)C)c1 ZINC000111139742 186357722 /nfs/dbraw/zinc/35/77/22/186357722.db2.gz SJZHSWBBJLQKQS-AWEZNQCLSA-N 0 3 262.397 2.368 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1cccc(F)c1 ZINC000111238862 186375095 /nfs/dbraw/zinc/37/50/95/186375095.db2.gz WVFZJEOEVWHPIC-AWEZNQCLSA-N 0 3 254.349 2.184 10 0 CEAEHN Cc1ccc(N(C)C(=O)c2ccc(CN)cn2)c(C)c1 ZINC000111282215 186387695 /nfs/dbraw/zinc/38/76/95/186387695.db2.gz LIKOUKJDLRURIK-UHFFFAOYSA-N 0 3 269.348 2.434 10 0 CEAEHN COc1ccc2c3c1O[C@@H]1C[C@@H](O)CC[C@@]31CCN(C)C2 ZINC000072190031 363121013 /nfs/dbraw/zinc/12/10/13/363121013.db2.gz GJRMHIXYLGOZSE-QEORTHHSSA-N 0 3 289.375 2.074 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccc(OC)cc2F)C1 ZINC000252761566 539899089 /nfs/dbraw/zinc/89/90/89/539899089.db2.gz XYUQIXPWVNYLAL-TZMCWYRMSA-N 0 3 296.386 2.206 10 0 CEAEHN CCC[C@H](C(=O)N1CCO[C@@H](c2ccsc2)C1)N(C)C ZINC000154273403 188133553 /nfs/dbraw/zinc/13/35/53/188133553.db2.gz MPRNKEKBWQOCJT-ZIAGYGMSSA-N 0 3 296.436 2.378 10 0 CEAEHN CC[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(F)cc1F ZINC000154953177 188172879 /nfs/dbraw/zinc/17/28/79/188172879.db2.gz BVBKIMSQXZFYKV-SWLSCSKDSA-N 0 3 284.350 2.336 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](C)Oc1ccccc1)N(C)C ZINC000162143386 188562657 /nfs/dbraw/zinc/56/26/57/188562657.db2.gz LCKZVNSUFHVEBX-HIFRSBDPSA-N 0 3 278.396 2.300 10 0 CEAEHN CC[C@@H]1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000132492068 366148529 /nfs/dbraw/zinc/14/85/29/366148529.db2.gz ADMVZFKZMBEQEE-BFHYXJOUSA-N 0 3 267.417 2.157 10 0 CEAEHN Cc1cc(F)ccc1CCNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000132681683 366164235 /nfs/dbraw/zinc/16/42/35/366164235.db2.gz HDIYNLLYNYKMMV-OAHLLOKOSA-N 0 3 293.386 2.022 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(CCc2cccnc2)C1 ZINC000172159596 188785215 /nfs/dbraw/zinc/78/52/15/188785215.db2.gz UHRPYLAJANQLIU-OAHLLOKOSA-N 0 3 275.396 2.005 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cscn2)=C[C@@H](N)C1 ZINC000675077970 540118966 /nfs/dbraw/zinc/11/89/66/540118966.db2.gz LHJDYGYCBUTEEW-SNVBAGLBSA-N 0 3 281.381 2.105 10 0 CEAEHN COc1c(CNCCc2cc(F)cc(F)c2)c(C)nn1C ZINC000134159991 366293369 /nfs/dbraw/zinc/29/33/69/366293369.db2.gz ABADIBSZRUNIGN-UHFFFAOYSA-N 0 3 295.333 2.348 10 0 CEAEHN C[C@H]1OCC[C@]1(N)c1cscc1Br ZINC000575560938 366296255 /nfs/dbraw/zinc/29/62/55/366296255.db2.gz LYZKWNIZYMSDFR-HZGVNTEJSA-N 0 3 262.172 2.473 10 0 CEAEHN C[C@H]1C[C@H]1NC(=O)NCCCN(C)Cc1ccccc1 ZINC000075977951 363503637 /nfs/dbraw/zinc/50/36/37/363503637.db2.gz DHLVXPAQOYGKED-DZGCQCFKSA-N 0 3 275.396 2.216 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)NCCCN(C)Cc1ccccc1 ZINC000075977948 363503950 /nfs/dbraw/zinc/50/39/50/363503950.db2.gz DHLVXPAQOYGKED-HIFRSBDPSA-N 0 3 275.396 2.216 10 0 CEAEHN CN(C)[C@H]1CCN(c2nc3ccc(N)cc3s2)C1 ZINC000063104730 538762882 /nfs/dbraw/zinc/76/28/82/538762882.db2.gz DMPWOCLZSODJHJ-JTQLQIEISA-N 0 3 262.382 2.019 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000225366707 538794902 /nfs/dbraw/zinc/79/49/02/538794902.db2.gz PMKYKLLRILCRPZ-OPRDCNLKSA-N 0 3 266.307 2.161 10 0 CEAEHN O=C1NCCC[C@H]1N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816432 538807489 /nfs/dbraw/zinc/80/74/89/538807489.db2.gz ZXBNUAPUFBWHOT-LSDHHAIUSA-N 0 3 283.375 2.414 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C)C(C)C ZINC000079122290 363580685 /nfs/dbraw/zinc/58/06/85/363580685.db2.gz DIQSQADQQLYHRL-STQMWFEESA-N 0 3 257.422 2.306 10 0 CEAEHN CC[C@H](NC[C@@H]1CN(C)CCO1)c1ccsc1 ZINC000294420583 199032636 /nfs/dbraw/zinc/03/26/36/199032636.db2.gz OICAFRYQSGFHMW-OLZOCXBDSA-N 0 3 254.399 2.119 10 0 CEAEHN Cc1cc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nn1C ZINC000414427873 236360474 /nfs/dbraw/zinc/36/04/74/236360474.db2.gz AFJOACPEZBSGPS-CLLJXQQHSA-N 0 3 251.374 2.022 10 0 CEAEHN CC[C@H](COC)N[C@@H](CN(C)C)c1ccccc1 ZINC000079707085 363622485 /nfs/dbraw/zinc/62/24/85/363622485.db2.gz RASSDOPVLBFRLH-CABCVRRESA-N 0 3 250.386 2.304 10 0 CEAEHN C[C@H](c1ccccn1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000177136842 189031313 /nfs/dbraw/zinc/03/13/13/189031313.db2.gz KYDKIOVFGVMZSP-OAHLLOKOSA-N 0 3 299.422 2.084 10 0 CEAEHN Cc1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177257418 189039706 /nfs/dbraw/zinc/03/97/06/189039706.db2.gz QSDVWPOONQCNSA-DOTOQJQBSA-N 0 3 274.408 2.148 10 0 CEAEHN CCO[C@@H]1C[C@@H]1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000178876263 189151856 /nfs/dbraw/zinc/15/18/56/189151856.db2.gz CLPAENPQKFTQAX-HRCADAONSA-N 0 3 290.407 2.351 10 0 CEAEHN CCC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(C)C ZINC000179142486 189172382 /nfs/dbraw/zinc/17/23/82/189172382.db2.gz WUWQROYZTDEXEN-HNNXBMFYSA-N 0 3 278.396 2.220 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)C ZINC000179334084 189186736 /nfs/dbraw/zinc/18/67/36/189186736.db2.gz JOQUTFPJNAHLIN-KBPBESRZSA-N 0 3 276.380 2.357 10 0 CEAEHN Cc1cc(F)ccc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180231144 189244912 /nfs/dbraw/zinc/24/49/12/189244912.db2.gz GIBUDWHDYJLRCR-RHSMWYFYSA-N 0 3 292.398 2.287 10 0 CEAEHN Cc1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000180227461 189245145 /nfs/dbraw/zinc/24/51/45/189245145.db2.gz GVNTWCOVZWAKGH-SWLSCSKDSA-N 0 3 280.437 2.209 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000236980597 370671497 /nfs/dbraw/zinc/67/14/97/370671497.db2.gz AYACSDOYWQOOGX-GXSJLCMTSA-N 0 3 268.332 2.139 10 0 CEAEHN C[C@@H](NCC(=O)N(C)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000180649585 189268336 /nfs/dbraw/zinc/26/83/36/189268336.db2.gz NAHOSVAIMNLNGT-CYBMUJFWSA-N 0 3 298.390 2.144 10 0 CEAEHN Oc1ccc2c(c1)O[C@H](CNCc1ccncc1)CC2 ZINC000003828399 361290639 /nfs/dbraw/zinc/29/06/39/361290639.db2.gz CMPVSRKCPJUIRW-HNNXBMFYSA-N 0 3 270.332 2.271 10 0 CEAEHN O[C@H](CN1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152428858 366695300 /nfs/dbraw/zinc/69/53/00/366695300.db2.gz VAPGOEWHBWXNDT-DLBZAZTESA-N 0 3 284.359 2.268 10 0 CEAEHN C[C@@H](Cc1ccccc1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000182038893 189312535 /nfs/dbraw/zinc/31/25/35/189312535.db2.gz PUUBBSNAEFBJLI-WMZOPIPTSA-N 0 3 299.418 2.463 10 0 CEAEHN CO[C@H](C)CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000182144425 189315414 /nfs/dbraw/zinc/31/54/14/189315414.db2.gz UXPDKUZOUFGMMF-KGLIPLIRSA-N 0 3 298.452 2.088 10 0 CEAEHN OC[C@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2)cc1 ZINC000184008521 189373822 /nfs/dbraw/zinc/37/38/22/189373822.db2.gz ZTFJYMHWQWBSLS-QZTJIDSGSA-N 0 3 283.371 2.281 10 0 CEAEHN CCc1nsc(N2C[C@@H]3CCCN3C[C@H]2CC)n1 ZINC000301950448 201273727 /nfs/dbraw/zinc/27/37/27/201273727.db2.gz GQSXYKWHASHQTP-MNOVXSKESA-N 0 3 266.414 2.164 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1ccc(Br)o1 ZINC000084229554 363803469 /nfs/dbraw/zinc/80/34/69/363803469.db2.gz HGUAJJJEPUYYTA-WPRPVWTQSA-N 0 3 274.158 2.293 10 0 CEAEHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(CC)cc1 ZINC000087955055 363873666 /nfs/dbraw/zinc/87/36/66/363873666.db2.gz CUDZOFIZBJJJNX-NWDGAFQWSA-N 0 3 291.395 2.134 10 0 CEAEHN c1ccc(SCCN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000089710287 363994342 /nfs/dbraw/zinc/99/43/42/363994342.db2.gz HMTXZJHYFKXZAS-OAHLLOKOSA-N 0 3 292.448 2.185 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C)c(O)c1 ZINC000092632798 364092350 /nfs/dbraw/zinc/09/23/50/364092350.db2.gz ZLMYVIBKTMNVGA-CQSZACIVSA-N 0 3 276.380 2.257 10 0 CEAEHN Cc1c(CN[C@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000093649677 364208599 /nfs/dbraw/zinc/20/85/99/364208599.db2.gz XPFLOXADFQJAEP-KRWDZBQOSA-N 0 3 284.407 2.093 10 0 CEAEHN Cc1c(CNC[C@@H](c2ccccc2)N(C)C)cnn1C ZINC000093649247 364209196 /nfs/dbraw/zinc/20/91/96/364209196.db2.gz VCJPMLZGDGWUAZ-INIZCTEOSA-N 0 3 272.396 2.121 10 0 CEAEHN Clc1cccc(N2CCN3CCCC[C@@H]3C2)n1 ZINC000094442659 364275446 /nfs/dbraw/zinc/27/54/46/364275446.db2.gz KDGBIKGQWAKQQI-LLVKDONJSA-N 0 3 251.761 2.410 10 0 CEAEHN CSc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)o1 ZINC000113231211 364878275 /nfs/dbraw/zinc/87/82/75/364878275.db2.gz BRDVGCCXTVGUPX-WDEREUQCSA-N 0 3 280.393 2.310 10 0 CEAEHN CC(C)CCc1noc(CN2C[C@H]3CCCN3C[C@@H]2C)n1 ZINC000113268960 364882450 /nfs/dbraw/zinc/88/24/50/364882450.db2.gz SSUWNNHOGYNGEI-UONOGXRCSA-N 0 3 292.427 2.327 10 0 CEAEHN C[C@@H](CN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000116876871 365076829 /nfs/dbraw/zinc/07/68/29/365076829.db2.gz YWJDLJIPOQMDFB-DZGCQCFKSA-N 0 3 260.381 2.343 10 0 CEAEHN CCc1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000118791085 365178676 /nfs/dbraw/zinc/17/86/76/365178676.db2.gz UXAOSVGRGWKVRL-OAHLLOKOSA-N 0 3 291.395 2.043 10 0 CEAEHN CCOCCN1CCN(CCSCC)C[C@@H]1CC ZINC000119174830 365228426 /nfs/dbraw/zinc/22/84/26/365228426.db2.gz QEOVPAFTHFJQMZ-AWEZNQCLSA-N 0 3 274.474 2.172 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)[C@@H](C)c2cccnc2)[C@@H](C)C1 ZINC000159099120 366877295 /nfs/dbraw/zinc/87/72/95/366877295.db2.gz QMHUBWIDGIUBJY-YDHLFZDLSA-N 0 3 275.396 2.030 10 0 CEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000120478843 365430845 /nfs/dbraw/zinc/43/08/45/365430845.db2.gz IWWWBADYMYMYQT-VDDIYKPWSA-N 0 3 271.357 2.288 10 0 CEAEHN CC[C@@H](C)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000120499528 365432039 /nfs/dbraw/zinc/43/20/39/365432039.db2.gz CFOMRZRUPUEBFN-VXGBXAGGSA-N 0 3 266.389 2.103 10 0 CEAEHN CC(C)OCCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000120987702 365507470 /nfs/dbraw/zinc/50/74/70/365507470.db2.gz KXXZCJSQAFTCIC-HNNXBMFYSA-N 0 3 278.396 2.221 10 0 CEAEHN CCC[C@@H](C(=O)NCCCCNc1ccccn1)N(C)C ZINC000162019220 367131158 /nfs/dbraw/zinc/13/11/58/367131158.db2.gz ADVXSTGHNGCJOZ-AWEZNQCLSA-N 0 3 292.427 2.120 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](C)Oc1ccccc1)N(C)C ZINC000162143484 367141062 /nfs/dbraw/zinc/14/10/62/367141062.db2.gz LCKZVNSUFHVEBX-UKRRQHHQSA-N 0 3 278.396 2.300 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1COc2ccccc21 ZINC000245427806 370818387 /nfs/dbraw/zinc/81/83/87/370818387.db2.gz IBDYPMUJHKJLQJ-HIFRSBDPSA-N 0 3 288.391 2.105 10 0 CEAEHN C[C@H](c1nc2ccccc2o1)N1CCO[C@@H](CN(C)C)C1 ZINC000245542993 370836149 /nfs/dbraw/zinc/83/61/49/370836149.db2.gz KOBJSHBKAUKSMY-OLZOCXBDSA-N 0 3 289.379 2.151 10 0 CEAEHN Cc1cc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)ccc1F ZINC000245686991 370856748 /nfs/dbraw/zinc/85/67/48/370856748.db2.gz ASXGDORNJZCOFX-KBPBESRZSA-N 0 3 280.387 2.021 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000171069172 367470203 /nfs/dbraw/zinc/47/02/03/367470203.db2.gz WYYSRSRRHMOBNJ-MRVPVSSYSA-N 0 3 287.285 2.272 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC[C@@H](O)C(F)F)c1C ZINC000631697411 367489544 /nfs/dbraw/zinc/48/95/44/367489544.db2.gz LXVGLYYIEKONSC-GZMMTYOYSA-N 0 3 275.343 2.187 10 0 CEAEHN CCCc1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170855351 367430544 /nfs/dbraw/zinc/43/05/44/367430544.db2.gz MKQYKWLKBMSWKQ-OAHLLOKOSA-N 0 3 260.381 2.415 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000170861822 367434951 /nfs/dbraw/zinc/43/49/51/367434951.db2.gz MNDLFEPNZXCQMX-ZBFHGGJFSA-N 0 3 287.407 2.410 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000170868569 367436634 /nfs/dbraw/zinc/43/66/34/367436634.db2.gz VTJRRSPISXIINR-ZDUSSCGKSA-N 0 3 266.772 2.045 10 0 CEAEHN C[C@H](SCc1ccccc1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170865535 367436687 /nfs/dbraw/zinc/43/66/87/367436687.db2.gz AJCUFXMBARTXED-DZGCQCFKSA-N 0 3 292.448 2.471 10 0 CEAEHN C[C@@H](CC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1F ZINC000170868331 367436737 /nfs/dbraw/zinc/43/67/37/367436737.db2.gz CHBQYGHWKJDLNX-STQMWFEESA-N 0 3 278.371 2.482 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000171391727 367533594 /nfs/dbraw/zinc/53/35/94/367533594.db2.gz LVZOVODJDVAYOM-LLVKDONJSA-N 0 3 272.352 2.336 10 0 CEAEHN Cn1cc([C@@H]2CCCN2CCOC(C)(C)C)cn1 ZINC000171410534 367536929 /nfs/dbraw/zinc/53/69/29/367536929.db2.gz ZKTFBZVIQSSVNK-ZDUSSCGKSA-N 0 3 251.374 2.372 10 0 CEAEHN Cc1cccc2[nH]cc(CC(=O)N3CC[C@H](N(C)C)C3)c21 ZINC000171541706 367562299 /nfs/dbraw/zinc/56/22/99/367562299.db2.gz TXZKKJBGUMLDBU-AWEZNQCLSA-N 0 3 285.391 2.181 10 0 CEAEHN COc1ccc(NC(=O)CCN2CCS[C@@H](C)C2)cc1 ZINC000171688105 367592488 /nfs/dbraw/zinc/59/24/88/367592488.db2.gz SYKZWBQRVODMHC-LBPRGKRZSA-N 0 3 294.420 2.461 10 0 CEAEHN CN(c1cccnn1)C1CCN(CCc2cccnc2)CC1 ZINC000172162089 367687661 /nfs/dbraw/zinc/68/76/61/367687661.db2.gz SVAXPNLINWOFSX-UHFFFAOYSA-N 0 3 297.406 2.015 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCSC[C@H]1C ZINC000172549513 367774225 /nfs/dbraw/zinc/77/42/25/367774225.db2.gz XOVBDQLZAAYYEG-CHWSQXEVSA-N 0 3 287.473 2.110 10 0 CEAEHN CCc1ccc(CN2CCN(C[C@H](C)O)[C@H](CC)C2)o1 ZINC000245783941 370872669 /nfs/dbraw/zinc/87/26/69/370872669.db2.gz UWVDNLCLKBILAT-UONOGXRCSA-N 0 3 280.412 2.119 10 0 CEAEHN CCOc1c(F)cccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000173046111 367863561 /nfs/dbraw/zinc/86/35/61/367863561.db2.gz UIGWDHRLDXJGFQ-LLVKDONJSA-N 0 3 280.343 2.001 10 0 CEAEHN CC[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccncc1 ZINC000173499599 367916840 /nfs/dbraw/zinc/91/68/40/367916840.db2.gz PXNFDQYAYXJVKH-HUUCEWRRSA-N 0 3 288.395 2.022 10 0 CEAEHN C[C@@H](CNC(=O)N1CC[C@H](N(C)C)C1)Cc1cccs1 ZINC000173914047 367958389 /nfs/dbraw/zinc/95/83/89/367958389.db2.gz BNYPQDUHBTWCNI-OLZOCXBDSA-N 0 3 295.452 2.272 10 0 CEAEHN COCCCN(C)CCNC(=O)N[C@H](C)c1cccs1 ZINC000174821969 368071491 /nfs/dbraw/zinc/07/14/91/368071491.db2.gz MRLPMYCOHKICBJ-GFCCVEGCSA-N 0 3 299.440 2.077 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000174988912 368086125 /nfs/dbraw/zinc/08/61/25/368086125.db2.gz MQHZDINPKHAAIK-QWHCGFSZSA-N 0 3 293.798 2.434 10 0 CEAEHN COc1ccc([C@H](C)CC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000176205403 368211666 /nfs/dbraw/zinc/21/16/66/368211666.db2.gz DIOVQKYEFQOTQY-HIFRSBDPSA-N 0 3 290.407 2.351 10 0 CEAEHN CC[C@H](CSC)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000181457969 368456919 /nfs/dbraw/zinc/45/69/19/368456919.db2.gz AJCPUBQKXDBVPF-CHWSQXEVSA-N 0 3 287.473 2.254 10 0 CEAEHN CC[C@H]1CN(CC(C)(C)O)CCN1Cc1ccccc1 ZINC000183752086 368647772 /nfs/dbraw/zinc/64/77/72/368647772.db2.gz IYKCDHZMDXWBEW-INIZCTEOSA-N 0 3 276.424 2.354 10 0 CEAEHN Cc1ccc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246175915 370921733 /nfs/dbraw/zinc/92/17/33/370921733.db2.gz MWPDSJPMODPBCX-UKRRQHHQSA-N 0 3 296.436 2.002 10 0 CEAEHN CC[C@@H](N[C@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000188182588 369312629 /nfs/dbraw/zinc/31/26/29/369312629.db2.gz UHGARELNJGDEQW-UONOGXRCSA-N 0 3 274.343 2.473 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cnn(C(C)C)c1 ZINC000188222485 369320741 /nfs/dbraw/zinc/32/07/41/369320741.db2.gz NIRNXJNIXYFVGP-AWEZNQCLSA-N 0 3 278.400 2.020 10 0 CEAEHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@H]1CN(C)CCO1 ZINC000246500178 370970045 /nfs/dbraw/zinc/97/00/45/370970045.db2.gz SNDMPEBMERZYJC-IIYDPXPESA-N 0 3 292.398 2.369 10 0 CEAEHN Cc1nc(CC(C)C)oc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000190312440 369612721 /nfs/dbraw/zinc/61/27/21/369612721.db2.gz GBBKTGNODDOKIX-CYBMUJFWSA-N 0 3 291.395 2.102 10 0 CEAEHN CCCCOC[C@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000193384410 369935478 /nfs/dbraw/zinc/93/54/78/369935478.db2.gz NMFWEESDXKNUQW-QGZVFWFLSA-N 0 3 298.471 2.114 10 0 CEAEHN C=Cn1cc(CNCC[C@@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000194295569 370023140 /nfs/dbraw/zinc/02/31/40/370023140.db2.gz WRWUIWMSONIXKX-GFCCVEGCSA-N 0 3 294.399 2.377 10 0 CEAEHN C=Cn1cc(CN[C@H](CC(C)C)CN(C)C)cn1 ZINC000194349241 370028595 /nfs/dbraw/zinc/02/85/95/370028595.db2.gz ABIGQHSTGRTKED-CQSZACIVSA-N 0 3 250.390 2.050 10 0 CEAEHN CC(C)C[C@@H]1CN(c2cnc3ccccc3n2)CCN1 ZINC000217807512 370201365 /nfs/dbraw/zinc/20/13/65/370201365.db2.gz ATEKRHPHCXVEPN-CYBMUJFWSA-N 0 3 270.380 2.454 10 0 CEAEHN CCN[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000638032800 370258709 /nfs/dbraw/zinc/25/87/09/370258709.db2.gz AXABAPRHBFTCGS-QWRGUYRKSA-N 0 3 252.333 2.309 10 0 CEAEHN O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCN2CCC[C@H]2C1 ZINC000246726451 371000391 /nfs/dbraw/zinc/00/03/91/371000391.db2.gz MMIYZGMMDMFVOH-IEZWGBDMSA-N 0 3 296.414 2.197 10 0 CEAEHN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246838946 371018371 /nfs/dbraw/zinc/01/83/71/371018371.db2.gz DGAXPCHQFPJNOZ-XJKSGUPXSA-N 0 3 278.371 2.293 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1cccs1 ZINC000246883385 371025941 /nfs/dbraw/zinc/02/59/41/371025941.db2.gz BDHUDQAVTOWREG-NEPJUHHUSA-N 0 3 264.394 2.158 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C)nc1 ZINC000246904606 371028813 /nfs/dbraw/zinc/02/88/13/371028813.db2.gz HRSLPNKJBDZVHN-GJZGRUSLSA-N 0 3 273.380 2.089 10 0 CEAEHN CCc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000247263891 371084550 /nfs/dbraw/zinc/08/45/50/371084550.db2.gz YWJQHWSRKOQFOQ-LSDHHAIUSA-N 0 3 276.424 2.136 10 0 CEAEHN CCc1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247263870 371085689 /nfs/dbraw/zinc/08/56/89/371085689.db2.gz YWJQHWSRKOQFOQ-CABCVRRESA-N 0 3 276.424 2.136 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000247408021 371104753 /nfs/dbraw/zinc/10/47/53/371104753.db2.gz RMKNVTGGTAVQBK-NWDGAFQWSA-N 0 3 296.440 2.013 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(C)cc2)CCN1C[C@H](C)O ZINC000247543590 371124226 /nfs/dbraw/zinc/12/42/26/371124226.db2.gz DFTFMLSVZMXXBJ-DOTOQJQBSA-N 0 3 276.424 2.272 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000054072918 541841124 /nfs/dbraw/zinc/84/11/24/541841124.db2.gz UEVBJEZPQMRBHJ-RKDXNWHRSA-N 0 3 285.185 2.234 10 0 CEAEHN CN[C@H](C)C(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000054072850 541841421 /nfs/dbraw/zinc/84/14/21/541841421.db2.gz DSYZXMFNRJBIGB-SECBINFHSA-N 0 3 299.212 2.408 10 0 CEAEHN O[C@H](CN1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000248202974 371170118 /nfs/dbraw/zinc/17/01/18/371170118.db2.gz ZHAJLSZUUJEVGX-OIISXLGYSA-N 0 3 293.382 2.486 10 0 CEAEHN COC(=O)[C@H](c1ccccc1)N1CCN2CCCC[C@H]2C1 ZINC000248356496 371179162 /nfs/dbraw/zinc/17/91/62/371179162.db2.gz OJYOTTQGVMLBQD-HOTGVXAUSA-N 0 3 288.391 2.071 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([O-])c1 ZINC000248723960 371238611 /nfs/dbraw/zinc/23/86/11/371238611.db2.gz UEKRHEIKYFQXJD-OCCSQVGLSA-N 0 3 288.391 2.263 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c([O-])c1 ZINC000248723960 371238614 /nfs/dbraw/zinc/23/86/14/371238614.db2.gz UEKRHEIKYFQXJD-OCCSQVGLSA-N 0 3 288.391 2.263 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC000249388166 371318441 /nfs/dbraw/zinc/31/84/41/371318441.db2.gz XHTZTQFTXVOZLB-GXSJLCMTSA-N 0 3 270.760 2.392 10 0 CEAEHN CCN1CCC[C@H](N[C@H](C)c2ccc(F)cn2)C1 ZINC000250388644 371383367 /nfs/dbraw/zinc/38/33/67/371383367.db2.gz XVVIMHTVDNXDCY-YPMHNXCESA-N 0 3 251.349 2.356 10 0 CEAEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000253278602 371504573 /nfs/dbraw/zinc/50/45/73/371504573.db2.gz OFIDJTREUWDQHQ-BARDWOONSA-N 0 3 282.428 2.038 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1 ZINC000253359084 371509987 /nfs/dbraw/zinc/50/99/87/371509987.db2.gz BYRLWHQNCVADFR-UKRRQHHQSA-N 0 3 290.411 2.268 10 0 CEAEHN Cc1c(CN2CCNC[C@H]2c2cccc(F)c2)cnn1C ZINC000261602543 371672936 /nfs/dbraw/zinc/67/29/36/371672936.db2.gz ALPWSIUJDHDKKB-INIZCTEOSA-N 0 3 288.370 2.014 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)C1CCOCC1)[C@@H](C)c1ccccc1 ZINC000261604768 371674543 /nfs/dbraw/zinc/67/45/43/371674543.db2.gz ALDWTEILZICRKO-DVOMOZLQSA-N 0 3 290.407 2.049 10 0 CEAEHN C[C@@H](CCC(C)(C)C)NC(=O)[C@@H](N)C1CCOCC1 ZINC000261605595 371675706 /nfs/dbraw/zinc/67/57/06/371675706.db2.gz AOLFMINUUJXDAM-AAEUAGOBSA-N 0 3 270.417 2.071 10 0 CEAEHN Cc1cnc(NC[C@H]2NCCc3ccccc32)nc1 ZINC000261580830 371661337 /nfs/dbraw/zinc/66/13/37/371661337.db2.gz FPFHASNJIXANPR-CQSZACIVSA-N 0 3 254.337 2.084 10 0 CEAEHN CCOc1ccccc1OCCN1CC[C@@H](O)C[C@H]1C ZINC000639939318 371690266 /nfs/dbraw/zinc/69/02/66/371690266.db2.gz GZZSLPPSNAKVQR-ZIAGYGMSSA-N 0 3 279.380 2.309 10 0 CEAEHN NC1(C(=O)N2CCCC3(C2)CCCCCC3)CCOCC1 ZINC000261884551 371760494 /nfs/dbraw/zinc/76/04/94/371760494.db2.gz PRGHVTOPHTWEIW-UHFFFAOYSA-N 0 3 294.439 2.457 10 0 CEAEHN Cc1cc(C)cc([C@@H](C)NC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261928272 371774937 /nfs/dbraw/zinc/77/49/37/371774937.db2.gz ZPHNMGJFOWPDKZ-CZUORRHYSA-N 0 3 290.407 2.235 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(C)cc2C)CCCN1 ZINC000643614876 373221051 /nfs/dbraw/zinc/22/10/51/373221051.db2.gz OJUQLNKGSNRQQT-HNNXBMFYSA-N 0 3 262.353 2.011 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(Cl)c(F)c2)CCCN1 ZINC000643629807 373227379 /nfs/dbraw/zinc/22/73/79/373227379.db2.gz ALHXQUGZGFAFTJ-ZDUSSCGKSA-N 0 3 286.734 2.186 10 0 CEAEHN CC(C)OC[C@H](O)CN1CCC(c2nccs2)CC1 ZINC000368847362 373277253 /nfs/dbraw/zinc/27/72/53/373277253.db2.gz YHNKNAMBZFCVGP-CYBMUJFWSA-N 0 3 284.425 2.108 10 0 CEAEHN O[C@@H]1CCCCC[C@H]1NCc1cc(-c2cccnc2)n[nH]1 ZINC000377337989 374838046 /nfs/dbraw/zinc/83/80/46/374838046.db2.gz RXMKEDLBXOCJLJ-GDBMZVCRSA-N 0 3 286.379 2.255 10 0 CEAEHN CCN1CC[C@H](NCc2nc3ccccc3n2CC)C1 ZINC000389228090 375300332 /nfs/dbraw/zinc/30/03/32/375300332.db2.gz HWVGWXHYGPVIKS-ZDUSSCGKSA-N 0 3 272.396 2.240 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccccc1OC(F)F ZINC000282320360 375456136 /nfs/dbraw/zinc/45/61/36/375456136.db2.gz KZPQFELYWJRNCI-ONGXEEELSA-N 0 3 284.306 2.045 10 0 CEAEHN COc1cccc([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282379949 375469768 /nfs/dbraw/zinc/46/97/68/375469768.db2.gz OJMIWJINZRSMSC-WDMOLILDSA-N 0 3 262.353 2.013 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cc(Cl)cc2c1OCC2 ZINC000282279931 375446887 /nfs/dbraw/zinc/44/68/87/375446887.db2.gz IBYQTPVDTNQQOD-NOZJJQNGSA-N 0 3 294.782 2.032 10 0 CEAEHN COc1ccc(CN(C)[C@@H]2CCC[C@H]2O)cc1OC ZINC000289608417 376417911 /nfs/dbraw/zinc/41/79/11/376417911.db2.gz LCKJULORDYAJRM-CHWSQXEVSA-N 0 3 265.353 2.049 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC(OC2CCC2)CC1 ZINC000419295471 376433271 /nfs/dbraw/zinc/43/32/71/376433271.db2.gz CDLBUMQETNPLGT-CQSZACIVSA-N 0 3 285.428 2.198 10 0 CEAEHN CO[C@H]1C[C@@H](CO)N(Cc2cc(C)nc3ccccc23)C1 ZINC000314678651 376780402 /nfs/dbraw/zinc/78/04/02/376780402.db2.gz ZGOVLYNTGNNPQN-GJZGRUSLSA-N 0 3 286.375 2.125 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CCSC1 ZINC000300271121 379158570 /nfs/dbraw/zinc/15/85/70/379158570.db2.gz PVIGQWARCYNHIN-MGPQQGTHSA-N 0 3 254.443 2.298 10 0 CEAEHN COCCCCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000300405429 379165220 /nfs/dbraw/zinc/16/52/20/379165220.db2.gz PYZVZLISIVZAML-CABCVRRESA-N 0 3 254.418 2.362 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CCOCC(F)F ZINC000300422387 379173600 /nfs/dbraw/zinc/17/36/00/379173600.db2.gz ZBMJPYAOOGRHTP-OLZOCXBDSA-N 0 3 276.371 2.217 10 0 CEAEHN Cc1n[nH]cc1[C@H](C)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181090511 542270422 /nfs/dbraw/zinc/27/04/22/542270422.db2.gz QZOLQKRYDCAPNL-JQWIXIFHSA-N 0 3 288.399 2.099 10 0 CEAEHN C[C@@H](NCC(=O)N(C1CC1)C1CCCC1)[C@H]1CCCO1 ZINC000183092205 542286320 /nfs/dbraw/zinc/28/63/20/542286320.db2.gz FPZRDGWCBZHZMZ-IUODEOHRSA-N 0 3 280.412 2.077 10 0 CEAEHN C[C@@H](NCC(=O)N(C)C1CCC(C)CC1)[C@H]1CCCO1 ZINC000183119059 542287107 /nfs/dbraw/zinc/28/71/07/542287107.db2.gz CFYYTAOQEHWIPP-HXSCFSKGSA-N 0 3 282.428 2.181 10 0 CEAEHN CCN1C(=O)CC[C@@H](N)[C@@H]1c1ccc(SC)cc1 ZINC000070985662 184574406 /nfs/dbraw/zinc/57/44/06/184574406.db2.gz HNUQQVGRHHXEBZ-OCCSQVGLSA-N 0 3 264.394 2.419 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](OC[C@@H]1CCCCO1)C2 ZINC000092840188 184630740 /nfs/dbraw/zinc/63/07/40/184630740.db2.gz HPRXNEOYKBBBSU-IMJJTQAJSA-N 0 3 277.364 2.205 10 0 CEAEHN CC/C(=C/c1ccc(C(=O)OC)o1)CNCCOC ZINC000092726822 184623466 /nfs/dbraw/zinc/62/34/66/184623466.db2.gz LLAPCXNMZKOMJP-LUAWRHEFSA-N 0 3 267.325 2.096 10 0 CEAEHN CCCN[C@H](c1ccc2c(c1)OCCO2)C(OC)OC ZINC000093305542 184662226 /nfs/dbraw/zinc/66/22/26/184662226.db2.gz MLUHGYCMPURYHK-CQSZACIVSA-N 0 3 281.352 2.117 10 0 CEAEHN CCC[NH2+]Cc1cc(=O)[n-]c(Cc2ccc(F)cc2F)n1 ZINC000080986102 177744721 /nfs/dbraw/zinc/74/47/21/177744721.db2.gz QLWNKMGZDWRLAC-UHFFFAOYSA-N 0 3 293.317 2.139 10 0 CEAEHN CCOC(=O)C[C@](C)(c1ccccn1)N1CCCC1 ZINC000080688300 177691507 /nfs/dbraw/zinc/69/15/07/177691507.db2.gz XVDBMDSDZMIVKM-OAHLLOKOSA-N 0 3 262.353 2.346 10 0 CEAEHN NC(=O)[C@]1(N)CCC[C@H]1CCSc1ccccc1 ZINC000093628554 184698908 /nfs/dbraw/zinc/69/89/08/184698908.db2.gz ZQWAVNLKXMYYDY-FZMZJTMJSA-N 0 3 264.394 2.152 10 0 CEAEHN COc1cc(C2(O)CCN(C)CC2)ccc1Cl ZINC000094006924 184749928 /nfs/dbraw/zinc/74/99/28/184749928.db2.gz LSQOMTLGSLDPQF-UHFFFAOYSA-N 0 3 255.745 2.262 10 0 CEAEHN CN[C@H]1c2c(c(OC)cc(OC)c2OC)C[C@@H]1C ZINC000094065001 184753638 /nfs/dbraw/zinc/75/36/38/184753638.db2.gz YJXBEQRZRGDYHM-ISVAXAHUSA-N 0 3 251.326 2.165 10 0 CEAEHN CC[C@H](NC(=O)[C@](C)(N)CC)c1ccc(OC)cc1 ZINC000094233228 184767027 /nfs/dbraw/zinc/76/70/27/184767027.db2.gz XTVVNLCEIRLIGD-DZGCQCFKSA-N 0 3 264.369 2.390 10 0 CEAEHN C[C@@H](NCc1cc[nH]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400463039 533441769 /nfs/dbraw/zinc/44/17/69/533441769.db2.gz SBXOAEKWKVYHML-VXGBXAGGSA-N 0 3 294.399 2.145 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN1CCC(c2ccncc2)CC1 ZINC000191629343 130266412 /nfs/dbraw/zinc/26/64/12/130266412.db2.gz NLPXQMDCIGYCIK-INIZCTEOSA-N 0 3 292.423 2.437 10 0 CEAEHN CCC[C@@](C)(N)C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000262646662 131246315 /nfs/dbraw/zinc/24/63/15/131246315.db2.gz SEXHYXUDIAKBDJ-QRWLVFNGSA-N 0 3 296.436 2.330 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1c1ccc(F)c(F)c1F ZINC000071037818 134956960 /nfs/dbraw/zinc/95/69/60/134956960.db2.gz AOHVAZWFTSURMH-SNVBAGLBSA-N 0 3 284.281 2.351 10 0 CEAEHN N[C@H]1CCCN(c2ccc(Br)c(F)c2)C1=O ZINC000083826878 135031291 /nfs/dbraw/zinc/03/12/91/135031291.db2.gz GEQKWPGPCKPUPK-JTQLQIEISA-N 0 3 287.132 2.042 10 0 CEAEHN CC(C)C[C@](C)(O)CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000090267326 135063082 /nfs/dbraw/zinc/06/30/82/135063082.db2.gz SEEFGTZMOFIGQL-PBHICJAKSA-N 0 3 290.407 2.481 10 0 CEAEHN C[C@H]1Cc2ccccc2N(CC[C@@H]2CNCCO2)C1 ZINC000091314251 135067927 /nfs/dbraw/zinc/06/79/27/135067927.db2.gz XAFVGRSBTHZSNU-DZGCQCFKSA-N 0 3 260.381 2.064 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1c1cncc(CNCC(C)C)n1 ZINC000091420717 135069365 /nfs/dbraw/zinc/06/93/65/135069365.db2.gz ZEXMBUWWJLHCHX-UKRRQHHQSA-N 0 3 292.427 2.226 10 0 CEAEHN Cc1ccc(C(F)(F)F)cc1N1CCC[C@@H](N)C1=O ZINC000091481070 135071126 /nfs/dbraw/zinc/07/11/26/135071126.db2.gz MOEFKKXPWBWAKC-SNVBAGLBSA-N 0 3 272.270 2.468 10 0 CEAEHN O[C@H]1CCC[C@@H]1CCN1CCN(c2ccccc2)CC1 ZINC000093584341 135081705 /nfs/dbraw/zinc/08/17/05/135081705.db2.gz GFVZILYFMGDYQF-WBVHZDCISA-N 0 3 274.408 2.360 10 0 CEAEHN C[C@H]1CN(c2nc(C(F)(F)F)ccc2CN)C[C@H](C)O1 ZINC000094334030 135085851 /nfs/dbraw/zinc/08/58/51/135085851.db2.gz FCOBLJTVGIWLJE-IUCAKERBSA-N 0 3 289.301 2.173 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1c1ccnc(Cl)n1 ZINC000094442792 135088888 /nfs/dbraw/zinc/08/88/88/135088888.db2.gz XVYKVVRYRUFHRQ-GHMZBOCLSA-N 0 3 266.776 2.193 10 0 CEAEHN C[C@@H](NC1CN(C)C1)c1cc(Br)cs1 ZINC000306794933 394518080 /nfs/dbraw/zinc/51/80/80/394518080.db2.gz GEJAXRCAABSVIT-SSDOTTSWSA-N 0 3 275.215 2.475 10 0 CEAEHN CCc1nnc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C ZINC000248422349 394540294 /nfs/dbraw/zinc/54/02/94/394540294.db2.gz MQJPVBNVVDBGKA-AVGNSLFASA-N 0 3 262.401 2.388 10 0 CEAEHN CC1CCC(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263482557 394629087 /nfs/dbraw/zinc/62/90/87/394629087.db2.gz GQIKFMFQSWZJNV-UHFFFAOYSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1CCC(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263482557 394629091 /nfs/dbraw/zinc/62/90/91/394629091.db2.gz GQIKFMFQSWZJNV-UHFFFAOYSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1CCC([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263482557 394629093 /nfs/dbraw/zinc/62/90/93/394629093.db2.gz GQIKFMFQSWZJNV-UHFFFAOYSA-N 0 3 294.439 2.482 10 0 CEAEHN CSCCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152181275 394989453 /nfs/dbraw/zinc/98/94/53/394989453.db2.gz AVWWMUTWFJIWGG-ZDUSSCGKSA-N 0 3 252.383 2.288 10 0 CEAEHN Cc1cnc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)o1 ZINC000374175921 395075837 /nfs/dbraw/zinc/07/58/37/395075837.db2.gz URZXIFJDTJWOEA-MGPQQGTHSA-N 0 3 264.369 2.499 10 0 CEAEHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1Cc1ncccn1 ZINC000346699194 395104622 /nfs/dbraw/zinc/10/46/22/395104622.db2.gz CAQUGRVXEUTZFK-FMKPAKJESA-N 0 3 275.396 2.382 10 0 CEAEHN CCc1c(Cl)nc(C)nc1N1CCN2CCC[C@@H]2C1 ZINC000172757277 395106675 /nfs/dbraw/zinc/10/66/75/395106675.db2.gz WPZZGUMMUCVJCZ-LLVKDONJSA-N 0 3 280.803 2.285 10 0 CEAEHN COc1ccc([C@H](C)N[C@H]2CCc3ncnn3C2)cc1F ZINC000180605803 395205199 /nfs/dbraw/zinc/20/51/99/395205199.db2.gz PKVJOEHKPROTOR-JQWIXIFHSA-N 0 3 290.342 2.091 10 0 CEAEHN COc1cc(C)nc(CN2CC[C@H](O)CC(C)(C)C2)c1 ZINC000295210674 395290493 /nfs/dbraw/zinc/29/04/93/395290493.db2.gz LMRVYTLYXDSAQK-AWEZNQCLSA-N 0 3 278.396 2.382 10 0 CEAEHN Cc1cc([C@H](C)NC[C@@H]2CN(C)CCO2)cs1 ZINC000294212906 395269139 /nfs/dbraw/zinc/26/91/39/395269139.db2.gz MRZAOLDPFSFYEM-WCQYABFASA-N 0 3 254.399 2.038 10 0 CEAEHN Cc1cc([C@@H](C)NC[C@H]2CN(C)CCO2)cs1 ZINC000294212909 395269718 /nfs/dbraw/zinc/26/97/18/395269718.db2.gz MRZAOLDPFSFYEM-YPMHNXCESA-N 0 3 254.399 2.038 10 0 CEAEHN CCC[C@H](C(=O)N1CCS[C@@H](C)CC1)N(C)C ZINC000191351941 395355555 /nfs/dbraw/zinc/35/55/55/395355555.db2.gz NORMHLMFZSHGKM-NWDGAFQWSA-N 0 3 258.431 2.071 10 0 CEAEHN CC(C)OC[C@H](O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190952611 395344344 /nfs/dbraw/zinc/34/43/44/395344344.db2.gz OEXHUMOBXLRUMG-CQSZACIVSA-N 0 3 285.428 2.196 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC000194633295 395444582 /nfs/dbraw/zinc/44/45/82/395444582.db2.gz YVMLLBSYTBQRCN-KGLIPLIRSA-N 0 3 276.380 2.054 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000042372564 400132022 /nfs/dbraw/zinc/13/20/22/400132022.db2.gz CHSDQIKROKDXCA-GZMMTYOYSA-N 0 3 285.185 2.364 10 0 CEAEHN CC[C@@H](C(=O)OC(C)(C)C)N1CCN2CCCC[C@@H]2C1 ZINC000192108518 153202306 /nfs/dbraw/zinc/20/23/06/153202306.db2.gz ZUXARIZNKXZBGB-KGLIPLIRSA-N 0 3 282.428 2.277 10 0 CEAEHN Cc1ccc(O[C@@H](C)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195310646 153283580 /nfs/dbraw/zinc/28/35/80/153283580.db2.gz QFOSQABZDDDXLG-LSDHHAIUSA-N 0 3 288.391 2.069 10 0 CEAEHN C[C@H](Cc1cccc(F)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195338783 153286235 /nfs/dbraw/zinc/28/62/35/153286235.db2.gz KIZGZGPOTCLALI-CZUORRHYSA-N 0 3 290.382 2.311 10 0 CEAEHN CC[C@@H](C)Oc1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000261840845 153853832 /nfs/dbraw/zinc/85/38/32/153853832.db2.gz LRGIJIPVTNNFTA-GFCCVEGCSA-N 0 3 292.379 2.310 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2cc3ccccc3o2)n1 ZINC000263224172 154038842 /nfs/dbraw/zinc/03/88/42/154038842.db2.gz MNXFRLJQLDEYMV-NSHDSACASA-N 0 3 284.319 2.059 10 0 CEAEHN C[C@@H]1CCC[C@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263461919 154099267 /nfs/dbraw/zinc/09/92/67/154099267.db2.gz BXJCGZKGZKCPHX-GALLPEHLSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]1CCC[C@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461919 154099278 /nfs/dbraw/zinc/09/92/78/154099278.db2.gz BXJCGZKGZKCPHX-GALLPEHLSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]1CCC[C@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461919 154099289 /nfs/dbraw/zinc/09/92/89/154099289.db2.gz BXJCGZKGZKCPHX-GALLPEHLSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCOC1CCC1 ZINC000376535252 157240797 /nfs/dbraw/zinc/24/07/97/157240797.db2.gz YHZONMZMGSOQBT-ZIAGYGMSSA-N 0 3 252.402 2.114 10 0 CEAEHN Cc1oncc1CN1CCC[C@H]1Cn1ccnc1C ZINC000128839288 162297899 /nfs/dbraw/zinc/29/78/99/162297899.db2.gz OUXYYSULXMQXTH-AWEZNQCLSA-N 0 3 260.341 2.153 10 0 CEAEHN Cc1ccc(-c2noc(C3(CN)CCOCC3)n2)cc1F ZINC000166100149 162348099 /nfs/dbraw/zinc/34/80/99/162348099.db2.gz AHCABOCWQWOOIQ-UHFFFAOYSA-N 0 3 291.326 2.191 10 0 CEAEHN CSc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1 ZINC000170937514 162375242 /nfs/dbraw/zinc/37/52/42/162375242.db2.gz ZCFDHXIDGBGDKT-UONOGXRCSA-N 0 3 294.464 2.295 10 0 CEAEHN CC(C)CC(C)(C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000175385002 165134129 /nfs/dbraw/zinc/13/41/29/165134129.db2.gz IIMJENOOVNOMCG-CYBMUJFWSA-N 0 3 252.402 2.365 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccoc1)CC2 ZINC000180623841 165317047 /nfs/dbraw/zinc/31/70/47/165317047.db2.gz YWMZHWZMDWPVPS-JQWIXIFHSA-N 0 3 260.341 2.099 10 0 CEAEHN Cc1oncc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000181712489 165352763 /nfs/dbraw/zinc/35/27/63/165352763.db2.gz WRBRWNRSKGMNHY-ZDUSSCGKSA-N 0 3 272.352 2.312 10 0 CEAEHN COc1ccc([C@H](N)Cn2c3ccccc3oc2=O)cc1 ZINC000019277808 170770190 /nfs/dbraw/zinc/77/01/90/170770190.db2.gz CWSGFGXBBYUOAD-CYBMUJFWSA-N 0 3 284.315 2.303 10 0 CEAEHN O=S(=O)([N-]c1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000019518991 170824779 /nfs/dbraw/zinc/82/47/79/170824779.db2.gz HEHIZZISWGGXTM-CYBMUJFWSA-N 0 3 290.388 2.334 10 0 CEAEHN CCNC(=O)[C@H](C)NC[C@@H](c1ccccc1)N(CC)CC ZINC000020310122 171144263 /nfs/dbraw/zinc/14/42/63/171144263.db2.gz NJHNQXTWYIWHMO-HOCLYGCPSA-N 0 3 291.439 2.184 10 0 CEAEHN CC(C)(C)OC[C@@H](N)c1ccc2c(c1)OCCO2 ZINC000020510755 171230576 /nfs/dbraw/zinc/23/05/76/171230576.db2.gz ILAZDGFOBLUZNW-LLVKDONJSA-N 0 3 251.326 2.273 10 0 CEAEHN CC(C)[C@H](C)NS(=O)(=O)c1cccc([C@H](C)N)c1 ZINC000020523653 171235801 /nfs/dbraw/zinc/23/58/01/171235801.db2.gz NJLMCPAPWDQISR-QWRGUYRKSA-N 0 3 270.398 2.029 10 0 CEAEHN CCNCc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872406 171277091 /nfs/dbraw/zinc/27/70/91/171277091.db2.gz SAXKRJKUCHYMCH-UHFFFAOYSA-N 0 3 264.369 2.090 10 0 CEAEHN COc1cccc(C(=O)Nc2cccc(CN)c2)c1 ZINC000022145428 171356374 /nfs/dbraw/zinc/35/63/74/171356374.db2.gz BLGOHNQBRAXRCK-UHFFFAOYSA-N 0 3 256.305 2.406 10 0 CEAEHN COc1ccc2cc([C@@H](CN)N3CCOCC3)ccc2c1 ZINC000022222508 171378964 /nfs/dbraw/zinc/37/89/64/171378964.db2.gz LOLNYXDDDVSHDS-QGZVFWFLSA-N 0 3 286.375 2.180 10 0 CEAEHN CCN1CCN([C@H](C(C)C)[C@@H](N)c2ccccc2)CC1 ZINC000022566043 171391987 /nfs/dbraw/zinc/39/19/87/171391987.db2.gz NZGHQZYQSJCRKU-DLBZAZTESA-N 0 3 275.440 2.349 10 0 CEAEHN CC(C)(C)c1ccc([C@H](N)CN2C(=O)CCC2=O)cc1 ZINC000022564479 171392005 /nfs/dbraw/zinc/39/20/05/171392005.db2.gz BYUNGNGABHEGGQ-CYBMUJFWSA-N 0 3 274.364 2.133 10 0 CEAEHN CC(C)NC(=O)COc1c(Cl)cc(Cl)cc1CN ZINC000035661834 172339569 /nfs/dbraw/zinc/33/95/69/172339569.db2.gz ZABBHQVFCKDGFZ-UHFFFAOYSA-N 0 3 291.178 2.356 10 0 CEAEHN CCCN[C@@H]1c2ccccc2S(=O)(=O)C[C@H]1C ZINC000035760567 172398775 /nfs/dbraw/zinc/39/87/75/172398775.db2.gz ISKFIMWZJJOQOG-MFKMUULPSA-N 0 3 253.367 2.151 10 0 CEAEHN CC(C)[C@@H](C)N(C)S(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000036788158 172706657 /nfs/dbraw/zinc/70/66/57/172706657.db2.gz SZPUOMWMCNEFRM-VXGBXAGGSA-N 0 3 284.425 2.371 10 0 CEAEHN CC(C)C(=O)NCCN[C@H]1CSCc2ccccc21 ZINC000037220194 173037844 /nfs/dbraw/zinc/03/78/44/173037844.db2.gz CTTYASBPFQLYED-AWEZNQCLSA-N 0 3 278.421 2.336 10 0 CEAEHN CC[C@H](N[C@@H](C)C(N)=O)c1cccc(Br)c1 ZINC000037261418 173070851 /nfs/dbraw/zinc/07/08/51/173070851.db2.gz RMFQZYFQZZTOHW-KWQFWETISA-N 0 3 285.185 2.364 10 0 CEAEHN Cc1nc(C(C)(C)C)sc1[C@H](C)NCCC(N)=O ZINC000037262132 173071524 /nfs/dbraw/zinc/07/15/24/173071524.db2.gz PJFUWQRFUAYMJV-QMMMGPOBSA-N 0 3 269.414 2.275 10 0 CEAEHN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCCC(N)=O ZINC000037262131 173071528 /nfs/dbraw/zinc/07/15/28/173071528.db2.gz PJFUWQRFUAYMJV-MRVPVSSYSA-N 0 3 269.414 2.275 10 0 CEAEHN COC(=O)C[C@H](N)c1c(OC)ccc2ccccc21 ZINC000037290030 173095577 /nfs/dbraw/zinc/09/55/77/173095577.db2.gz PTZQNDQLPQTMOF-LBPRGKRZSA-N 0 3 259.305 2.411 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccc(OC)cc1OC ZINC000037386483 173169973 /nfs/dbraw/zinc/16/99/73/173169973.db2.gz IBYOWCKPNCGSDJ-SNVBAGLBSA-N 0 3 266.341 2.030 10 0 CEAEHN CC(C)[C@H](NCCS(C)(=O)=O)c1cccs1 ZINC000037490506 173231696 /nfs/dbraw/zinc/23/16/96/173231696.db2.gz LFQNYNSOBDJRHN-NSHDSACASA-N 0 3 261.412 2.079 10 0 CEAEHN CCCN[C@](C)(C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037513833 173245010 /nfs/dbraw/zinc/24/50/10/173245010.db2.gz JTWUPDQEBQTINQ-HNNXBMFYSA-N 0 3 264.369 2.174 10 0 CEAEHN C[C@@H](c1cccs1)N(C)C(=O)[C@](C)(N)C1CC1 ZINC000037821362 173774153 /nfs/dbraw/zinc/77/41/53/173774153.db2.gz CROVYXPCTCCXLN-TVQRCGJNSA-N 0 3 252.383 2.395 10 0 CEAEHN CCOCCn1c(CNC)nc2ccc(Cl)cc21 ZINC000040405270 174254085 /nfs/dbraw/zinc/25/40/85/174254085.db2.gz RXALWWXPOGZNKA-UHFFFAOYSA-N 0 3 267.760 2.446 10 0 CEAEHN COc1ccc(-c2nc(CN)cs2)cc1OC ZINC000040414615 174255474 /nfs/dbraw/zinc/25/54/74/174255474.db2.gz WLUOMPITQYERBL-UHFFFAOYSA-N 0 3 250.323 2.286 10 0 CEAEHN CC(C)[C@H](N)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000040467699 174276070 /nfs/dbraw/zinc/27/60/70/174276070.db2.gz ADVCXIYEAKSEAE-DGAVXFQQSA-N 0 3 252.402 2.397 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)CCc2ccncc2)n1 ZINC000040509536 174304150 /nfs/dbraw/zinc/30/41/50/174304150.db2.gz MKHANSXRPUPMAW-UHFFFAOYSA-N 0 3 270.380 2.231 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)[C@](C)(N)C2CC2)s1 ZINC000040519119 174308743 /nfs/dbraw/zinc/30/87/43/174308743.db2.gz OEQYYMLWZUAYLH-ISVAXAHUSA-N 0 3 267.398 2.065 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519059 174308869 /nfs/dbraw/zinc/30/88/69/174308869.db2.gz BFHLVTYFJPKOKD-OVYXKVPISA-N 0 3 269.414 2.311 10 0 CEAEHN CCC[C@](C)(N)C(=O)NCc1cc2c(s1)CCC2 ZINC000040628134 174356910 /nfs/dbraw/zinc/35/69/10/174356910.db2.gz HNRZMDUNLREDGA-AWEZNQCLSA-N 0 3 266.410 2.371 10 0 CEAEHN CCOc1ccc(NC(=O)[C@@H]2C[C@H](OC)CN2)cc1Cl ZINC000040634157 174360369 /nfs/dbraw/zinc/36/03/69/174360369.db2.gz BHTOZYJNKASDMG-JQWIXIFHSA-N 0 3 298.770 2.054 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)[C@H]1C[C@@H](OC)CN1 ZINC000040634292 174360609 /nfs/dbraw/zinc/36/06/09/174360609.db2.gz RLHFVSPWWPZNFU-TZMCWYRMSA-N 0 3 292.379 2.099 10 0 CEAEHN COc1ccc(-c2nc([C@@H]3C[C@@H](OC)CN3)[nH]c2C)cc1 ZINC000040637669 174361787 /nfs/dbraw/zinc/36/17/87/174361787.db2.gz IKNBBIZJPMEITQ-KGLIPLIRSA-N 0 3 287.363 2.443 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3ccc(F)cc3)c[nH]2)C1 ZINC000040637653 174362011 /nfs/dbraw/zinc/36/20/11/174362011.db2.gz RHFGIMIKHWIFOE-NEPJUHHUSA-N 0 3 261.300 2.265 10 0 CEAEHN CC(C)Oc1cccc([C@H](CN)N2CCO[C@@H](C)C2)c1 ZINC000040640896 174364210 /nfs/dbraw/zinc/36/42/10/174364210.db2.gz YCMUOKMGVRLYKO-BBRMVZONSA-N 0 3 278.396 2.194 10 0 CEAEHN CC(C)Oc1cccc([C@H](CO)NC[C@H]2CCCO2)c1 ZINC000040666843 174366539 /nfs/dbraw/zinc/36/65/39/174366539.db2.gz RFUFEVAXYPMLIN-CVEARBPZSA-N 0 3 279.380 2.276 10 0 CEAEHN CCOC1CCN(C[C@@H]2CNc3ccccc3O2)CC1 ZINC000040690151 174376824 /nfs/dbraw/zinc/37/68/24/174376824.db2.gz WCJZIEVSNZWJPX-AWEZNQCLSA-N 0 3 276.380 2.360 10 0 CEAEHN Cc1nn(-c2ccccc2)c(N2CC[C@@H](C)C2)c1CN ZINC000040723762 174385986 /nfs/dbraw/zinc/38/59/86/174385986.db2.gz GGMZTOQXZVENEW-GFCCVEGCSA-N 0 3 270.380 2.486 10 0 CEAEHN Cc1cc(=O)n(C[C@@H](N)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000040728172 174387680 /nfs/dbraw/zinc/38/76/80/174387680.db2.gz GHNLOUXMVKZGEU-UZZMVUAXSA-N 0 3 287.407 2.095 10 0 CEAEHN Cc1cc(=O)n(C[C@@H](N)c2ccc(CC(C)C)cc2)cn1 ZINC000040728164 174387860 /nfs/dbraw/zinc/38/78/60/174387860.db2.gz NVMFBTPTGIWYFI-MRXNPFEDSA-N 0 3 285.391 2.450 10 0 CEAEHN Cc1c(N)cc(C(=O)NCCN2CCC(C)CC2)cc1F ZINC000040770913 174399919 /nfs/dbraw/zinc/39/99/19/174399919.db2.gz YQFIVUZXIUSMDX-UHFFFAOYSA-N 0 3 293.386 2.178 10 0 CEAEHN CC(C)C[C@H](N)C(=O)N[C@H]1CCCc2occc21 ZINC000040831792 174413672 /nfs/dbraw/zinc/41/36/72/174413672.db2.gz ANKZLGPNJUWWSX-RYUDHWBXSA-N 0 3 250.342 2.147 10 0 CEAEHN CCN[C@H]1c2cc(F)c(F)cc2[S@@](=O)C[C@@H]1C ZINC000040976662 174444709 /nfs/dbraw/zinc/44/47/09/174444709.db2.gz OYQRXMYHIFAONC-MNIMEWNKSA-N 0 3 259.321 2.373 10 0 CEAEHN CCCCOC[C@H](O)CN1C[C@H](CC)OC[C@H]1CC ZINC000403727651 414767882 /nfs/dbraw/zinc/76/78/82/414767882.db2.gz ACFVZHCZQPVMKA-KFWWJZLASA-N 0 3 273.417 2.053 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247376878 287293050 /nfs/dbraw/zinc/29/30/50/287293050.db2.gz FWNSEZFAYKHNIW-RDBSUJKOSA-N 0 3 265.401 2.055 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000404884575 414791198 /nfs/dbraw/zinc/79/11/98/414791198.db2.gz DJMXVZSMUWGOSV-DOMZBBRYSA-N 0 3 260.381 2.302 10 0 CEAEHN Cc1ccsc1C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662975043 414814489 /nfs/dbraw/zinc/81/44/89/414814489.db2.gz DRGKWWMTUNFPMU-ZETCQYMHSA-N 0 3 266.288 2.018 10 0 CEAEHN CC[C@@H](N)[C@@H](c1cccc(Cl)c1)N(CC(N)=O)C(C)C ZINC000043015989 174942988 /nfs/dbraw/zinc/94/29/88/174942988.db2.gz YTDKQBYPXQUVMG-UKRRQHHQSA-N 0 3 297.830 2.314 10 0 CEAEHN CC(C)(C)c1ccc([C@@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000043299992 175000792 /nfs/dbraw/zinc/00/07/92/175000792.db2.gz BEXQOPQVZFDAOO-GXTWGEPZSA-N 0 3 281.421 2.419 10 0 CEAEHN CCN[C@@H](c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300787 175001592 /nfs/dbraw/zinc/00/15/92/175001592.db2.gz DRIHAVOIFZVQPZ-ZFWWWQNUSA-N 0 3 297.420 2.171 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301393 175002199 /nfs/dbraw/zinc/00/21/99/175002199.db2.gz IDIHXFJSUGHKSF-HIFRSBDPSA-N 0 3 297.420 2.171 10 0 CEAEHN CCOC(=O)[C@H](NCCN(C)C)c1cccc(C)c1C ZINC000043315737 175004783 /nfs/dbraw/zinc/00/47/83/175004783.db2.gz OSFBOGFPQPKKJH-OAHLLOKOSA-N 0 3 278.396 2.059 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccco1)N(CCOC)C1CC1 ZINC000043335869 175011184 /nfs/dbraw/zinc/01/11/84/175011184.db2.gz JCCZPOOGWGARDY-JSGCOSHPSA-N 0 3 252.358 2.169 10 0 CEAEHN CC[C@H](N)[C@H](c1ccco1)N(CCCOC)CCOC ZINC000043335997 175012074 /nfs/dbraw/zinc/01/20/74/175012074.db2.gz KTSAHNWWLKCUCD-DZGCQCFKSA-N 0 3 284.400 2.043 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccco1)N(C)Cc1cscn1 ZINC000043336326 175012535 /nfs/dbraw/zinc/01/25/35/175012535.db2.gz DMJRLPVFSJACRK-SKDRFNHKSA-N 0 3 251.355 2.256 10 0 CEAEHN NC[C@H](OCc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337226 175012593 /nfs/dbraw/zinc/01/25/93/175012593.db2.gz ZELFLGIPHWAUHE-AWEZNQCLSA-N 0 3 261.277 2.225 10 0 CEAEHN CC[C@H](N)[C@H](c1ccc(C)o1)N1CCOC[C@@H]1C ZINC000043364178 175024992 /nfs/dbraw/zinc/02/49/92/175024992.db2.gz YFYZDLWKUVLLJN-VHRBIJSZSA-N 0 3 252.358 2.087 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N1CCOCC1(C)C ZINC000043364748 175025417 /nfs/dbraw/zinc/02/54/17/175025417.db2.gz IPKACPBMRDEUIQ-JSGCOSHPSA-N 0 3 266.385 2.477 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)o1)N(C)CC(=O)N(CC)CC ZINC000043364923 175025707 /nfs/dbraw/zinc/02/57/07/175025707.db2.gz BRECNJVNDSREBQ-CJNGLKHVSA-N 0 3 295.427 2.167 10 0 CEAEHN CCOC1CCN([C@@H](c2ccc(C)o2)[C@H](C)N)CC1 ZINC000043364574 175025768 /nfs/dbraw/zinc/02/57/68/175025768.db2.gz RFKZRUJECSQEGH-SWLSCSKDSA-N 0 3 266.385 2.477 10 0 CEAEHN NC[C@H](c1ccc(Cl)c(F)c1)N1CCN(C2CC2)CC1 ZINC000043390525 175033451 /nfs/dbraw/zinc/03/34/51/175033451.db2.gz NHINNXXOOLHKPG-OAHLLOKOSA-N 0 3 297.805 2.259 10 0 CEAEHN Brc1cnc2[n-]c([C@H]3CCC[NH2+]3)nc2c1 ZINC000043460869 175051545 /nfs/dbraw/zinc/05/15/45/175051545.db2.gz YOIXUHCFXOSABY-SSDOTTSWSA-N 0 3 267.130 2.145 10 0 CEAEHN CCN(CC)C[C@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043809019 175109818 /nfs/dbraw/zinc/10/98/18/175109818.db2.gz KHCLHSTXVFVUQY-AWEZNQCLSA-N 0 3 278.396 2.450 10 0 CEAEHN CN[C@H](CN(C)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000043813188 175111239 /nfs/dbraw/zinc/11/12/39/175111239.db2.gz ZDMIRVWZNJBUOK-CQSZACIVSA-N 0 3 278.396 2.449 10 0 CEAEHN CN[C@@H](CN1CCC(OC)CC1)c1cc(C)ccc1OC ZINC000043890033 175117466 /nfs/dbraw/zinc/11/74/66/175117466.db2.gz GKVRJRGZFBFWSC-INIZCTEOSA-N 0 3 292.423 2.375 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@@H]1N(C)Cc1ccncc1 ZINC000043893951 175119094 /nfs/dbraw/zinc/11/90/94/175119094.db2.gz QYLWRZWLSOLVTC-DOTOQJQBSA-N 0 3 283.375 2.235 10 0 CEAEHN CCN[C@@H](CN(C)C1CCOCC1)c1ccccc1OC ZINC000043898376 175121406 /nfs/dbraw/zinc/12/14/06/175121406.db2.gz UCFONRAYXWOBJU-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N(C)C1CCOCC1 ZINC000043898476 175121526 /nfs/dbraw/zinc/12/15/26/175121526.db2.gz AHKAWXLESDMPEV-NVXWUHKLSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N(C)CC1CC1 ZINC000043906182 175122799 /nfs/dbraw/zinc/12/27/99/175122799.db2.gz ZBIOHOGMNYDLND-ZBFHGGJFSA-N 0 3 260.381 2.440 10 0 CEAEHN CN[C@@H](CN1CCC[C@@H]1C)c1cc(OC)ccc1OC ZINC000043902556 175122818 /nfs/dbraw/zinc/12/28/18/175122818.db2.gz UCTPLSAZXIXRJP-WFASDCNBSA-N 0 3 278.396 2.449 10 0 CEAEHN CN[C@@H](CN1CC[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000043908320 175123211 /nfs/dbraw/zinc/12/32/11/175123211.db2.gz JOEHJGWNOVOJJT-OCCSQVGLSA-N 0 3 278.396 2.306 10 0 CEAEHN CN[C@@H](CN1CC[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000043908288 175123299 /nfs/dbraw/zinc/12/32/99/175123299.db2.gz SYDQNEHBOGUJOG-HIFRSBDPSA-N 0 3 290.407 2.450 10 0 CEAEHN CCCN[C@@H]1c2ccccc2OC[C@H]1N(C)CCOC ZINC000043916485 175125702 /nfs/dbraw/zinc/12/57/02/175125702.db2.gz KNWLTGYDKZLYIJ-GDBMZVCRSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N(C)[C@@H](C)COC ZINC000043969319 175130653 /nfs/dbraw/zinc/13/06/53/175130653.db2.gz RLHMJWQZQRIFSQ-NOLJZWGESA-N 0 3 278.396 2.065 10 0 CEAEHN Oc1ccc2c(c1)CCC[C@H]2NCCn1cccn1 ZINC000044747504 175243075 /nfs/dbraw/zinc/24/30/75/175243075.db2.gz TXIHBCCIYPJSLB-OAHLLOKOSA-N 0 3 257.337 2.256 10 0 CEAEHN CC[C@H]1CCCN(C(=O)[C@H](CN)Cc2ccccc2)C1 ZINC000044802129 175255844 /nfs/dbraw/zinc/25/58/44/175255844.db2.gz DZXRRBQPVYNBSC-HOCLYGCPSA-N 0 3 274.408 2.453 10 0 CEAEHN CC[C@@H](C)N(CCOC)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044807647 175257217 /nfs/dbraw/zinc/25/72/17/175257217.db2.gz ABBHHUGVLICEPA-GDBMZVCRSA-N 0 3 292.423 2.078 10 0 CEAEHN C[C@H](N[C@H]1CC1(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000045116629 175311529 /nfs/dbraw/zinc/31/15/29/175311529.db2.gz UMKCSKOETFZFHV-ZANVPECISA-N 0 3 260.337 2.467 10 0 CEAEHN CC[C@@H](C)[C@H](N)c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169384 175319710 /nfs/dbraw/zinc/31/97/10/175319710.db2.gz HSTYENFOOLZFKW-OQPBUACISA-N 0 3 261.373 2.473 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NCCN1CCC(C)CC1 ZINC000045172202 175321485 /nfs/dbraw/zinc/32/14/85/175321485.db2.gz XAZNWXIZWLJKEW-ZDUSSCGKSA-N 0 3 278.444 2.419 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@@H]2CCCN(C)C2)c1C ZINC000045172148 175321912 /nfs/dbraw/zinc/32/19/12/175321912.db2.gz LFOAMOBFKJAJPJ-BXUZGUMPSA-N 0 3 264.417 2.265 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2CCCN(C)C2)c1C ZINC000045172154 175322002 /nfs/dbraw/zinc/32/20/02/175322002.db2.gz LFOAMOBFKJAJPJ-FZMZJTMJSA-N 0 3 264.417 2.265 10 0 CEAEHN CCCCN(C)C[C@@](NCCC)(C(N)=O)c1ccccc1 ZINC000045221943 175330584 /nfs/dbraw/zinc/33/05/84/175330584.db2.gz JMVIMTMIRQGRIN-KRWDZBQOSA-N 0 3 291.439 2.099 10 0 CEAEHN COC(=O)[C@](C)(CN1CCCCCCC1)NC(C)C ZINC000045223688 175331159 /nfs/dbraw/zinc/33/11/59/175331159.db2.gz NGLMZVLWSYHABE-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](CC)CC(C)C)C(=O)[O-] ZINC000045264166 175337373 /nfs/dbraw/zinc/33/73/73/175337373.db2.gz SLNDDGCSYFQOQN-AWEZNQCLSA-N 0 3 258.406 2.197 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](CC)CC(C)C)C(=O)[O-] ZINC000045264166 175337374 /nfs/dbraw/zinc/33/73/74/175337374.db2.gz SLNDDGCSYFQOQN-AWEZNQCLSA-N 0 3 258.406 2.197 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(CC)CC(C)C)C(=O)[O-] ZINC000045264166 175337376 /nfs/dbraw/zinc/33/73/76/175337376.db2.gz SLNDDGCSYFQOQN-AWEZNQCLSA-N 0 3 258.406 2.197 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045266515 175339104 /nfs/dbraw/zinc/33/91/04/175339104.db2.gz FDDKHTORIQEKAH-JSGCOSHPSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](CC)[C@@H](C)CC)C(=O)[O-] ZINC000045266515 175339105 /nfs/dbraw/zinc/33/91/05/175339105.db2.gz FDDKHTORIQEKAH-JSGCOSHPSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(CC)[C@@H](C)CC)C(=O)[O-] ZINC000045266515 175339107 /nfs/dbraw/zinc/33/91/07/175339107.db2.gz FDDKHTORIQEKAH-JSGCOSHPSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN(CC)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045267589 175339821 /nfs/dbraw/zinc/33/98/21/175339821.db2.gz XLVBECAOTBIQSA-CQSZACIVSA-N 0 3 258.406 2.038 10 0 CEAEHN CCN[C@@H](CN(CC)c1cccc2ccccc21)C(N)=O ZINC000045369608 175363714 /nfs/dbraw/zinc/36/37/14/175363714.db2.gz JUJCDRAONCBWQQ-HNNXBMFYSA-N 0 3 285.391 2.130 10 0 CEAEHN C[C@@H]1CCN(C[C@@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000661855841 415500721 /nfs/dbraw/zinc/50/07/21/415500721.db2.gz JLBQCHPYFNFZNH-HLLBOEOZSA-N 0 3 293.407 2.063 10 0 CEAEHN CC(C)NCc1cc2c(cc1O[C@H]1CCOC1)OCO2 ZINC000070941812 176015037 /nfs/dbraw/zinc/01/50/37/176015037.db2.gz OUMAJFBDPRUZCX-LBPRGKRZSA-N 0 3 279.336 2.081 10 0 CEAEHN Cc1cc(C)cc([C@H]2[C@H](N)CCC(=O)N2C2CC2)c1 ZINC000070987562 176018502 /nfs/dbraw/zinc/01/85/02/176018502.db2.gz RAXXFKQRTHRWMQ-ZBFHGGJFSA-N 0 3 258.365 2.457 10 0 CEAEHN CSc1cccc(N2CC[C@H](NC3CC3)C2=O)c1 ZINC000071035887 176025522 /nfs/dbraw/zinc/02/55/22/176025522.db2.gz KVWFFZKZTJQKNP-ZDUSSCGKSA-N 0 3 262.378 2.266 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2cccc3ncccc32)C1=O ZINC000071037552 176026340 /nfs/dbraw/zinc/02/63/40/176026340.db2.gz ITKIJZAORFXFMV-CQSZACIVSA-N 0 3 269.348 2.338 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1CCc1cccc(F)c1 ZINC000071040538 176027689 /nfs/dbraw/zinc/02/76/89/176027689.db2.gz NCSFSNIUKZUVIM-OAHLLOKOSA-N 0 3 276.355 2.111 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1CCc1cc(F)cc(F)c1 ZINC000071042456 176028700 /nfs/dbraw/zinc/02/87/00/176028700.db2.gz ZCACGFOYHFCBQC-HNNXBMFYSA-N 0 3 294.345 2.250 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1c1cc(F)cc(F)c1F ZINC000071042868 176029268 /nfs/dbraw/zinc/02/92/68/176029268.db2.gz JXORHARVXKZBPQ-LLVKDONJSA-N 0 3 284.281 2.351 10 0 CEAEHN COc1cc(CNC[C@H]2OCCc3ccccc32)ccn1 ZINC000071091160 176031069 /nfs/dbraw/zinc/03/10/69/176031069.db2.gz JNAAWOAEOSTUEO-MRXNPFEDSA-N 0 3 284.359 2.494 10 0 CEAEHN CC[C@@H]1CCC[C@H](N2CCN([C@@H](C)C(N)=S)CC2)C1 ZINC000071148235 176044126 /nfs/dbraw/zinc/04/41/26/176044126.db2.gz CJUHWYJQHWQWKU-MJBXVCDLSA-N 0 3 283.485 2.247 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)c1c(F)cc(C=O)cc1F ZINC000071189485 176065538 /nfs/dbraw/zinc/06/55/38/176065538.db2.gz RGDSNMUHLGCTJK-JTQLQIEISA-N 0 3 268.307 2.165 10 0 CEAEHN CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000071192681 176074690 /nfs/dbraw/zinc/07/46/90/176074690.db2.gz LNLKDWBIJIMHAD-HIFRSBDPSA-N 0 3 276.380 2.086 10 0 CEAEHN CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000071192681 176074691 /nfs/dbraw/zinc/07/46/91/176074691.db2.gz LNLKDWBIJIMHAD-HIFRSBDPSA-N 0 3 276.380 2.086 10 0 CEAEHN CC(C)N(CCCO)Cc1ccc(F)cc1C(N)=S ZINC000071266080 176100149 /nfs/dbraw/zinc/10/01/49/176100149.db2.gz OQIAMTBLJSNSQK-UHFFFAOYSA-N 0 3 284.400 2.053 10 0 CEAEHN Nc1ccn(CCN(Cc2ccccc2)C2CC2)n1 ZINC000071377898 176142935 /nfs/dbraw/zinc/14/29/35/176142935.db2.gz SBMJXPRENQWNIA-UHFFFAOYSA-N 0 3 256.353 2.130 10 0 CEAEHN CCNCc1cc(C)ccc1OCc1nccn1C ZINC000071403868 176155518 /nfs/dbraw/zinc/15/55/18/176155518.db2.gz SGKXNZGMRJVMSU-UHFFFAOYSA-N 0 3 259.353 2.417 10 0 CEAEHN Cc1cc2c([nH]c(SCCN3CCCC3)nc2=O)s1 ZINC000071514785 176193346 /nfs/dbraw/zinc/19/33/46/176193346.db2.gz UICDJTVHXVPELM-UHFFFAOYSA-N 0 3 295.433 2.481 10 0 CEAEHN CCc1cc(N(C)C(=O)CNC(C)C)ccc1OC ZINC000076369319 177006496 /nfs/dbraw/zinc/00/64/96/177006496.db2.gz MHSHAXIRTPWCKK-UHFFFAOYSA-N 0 3 264.369 2.218 10 0 CEAEHN CN[C@@H](C(=O)c1cc(OC)c(OC)cc1C)C(C)C ZINC000076372359 177008485 /nfs/dbraw/zinc/00/84/85/177008485.db2.gz NUUJQTOFTXOTHS-CQSZACIVSA-N 0 3 265.353 2.439 10 0 CEAEHN N[C@@H](Cn1cccn1)c1cc(Br)cs1 ZINC000076413327 177021127 /nfs/dbraw/zinc/02/11/27/177021127.db2.gz NTSZAGUMAZMPAN-QMMMGPOBSA-N 0 3 272.171 2.407 10 0 CEAEHN CC(C)C[C@@H](O)C1CCN(Cc2cnc[nH]2)CC1 ZINC000077344006 177254635 /nfs/dbraw/zinc/25/46/35/177254635.db2.gz DTBUBHRBCIWKKR-CQSZACIVSA-N 0 3 251.374 2.029 10 0 CEAEHN CCN(CC(=O)N(CC)C1=CCCCC1)CC(C)(C)O ZINC000078747385 177380800 /nfs/dbraw/zinc/38/08/00/177380800.db2.gz CIJYFHHHRBRCAN-UHFFFAOYSA-N 0 3 282.428 2.386 10 0 CEAEHN COC(OC)[C@H](C)NCc1cc2c(s1)CCC2 ZINC000079617270 177526042 /nfs/dbraw/zinc/52/60/42/177526042.db2.gz MNIFBAYWFDLEOD-VIFPVBQESA-N 0 3 255.383 2.334 10 0 CEAEHN CCC[C@@H](C)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000187683144 270255488 /nfs/dbraw/zinc/25/54/88/270255488.db2.gz AHTABKNTOMAVDM-OLZOCXBDSA-N 0 3 280.416 2.499 10 0 CEAEHN Cc1cc(C)n([C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C)n1 ZINC000194755911 270303441 /nfs/dbraw/zinc/30/34/41/270303441.db2.gz HZUURZDNVVZSAO-LSDHHAIUSA-N 0 3 294.443 2.153 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)C2CCC2)cc1F ZINC000399226584 270367583 /nfs/dbraw/zinc/36/75/83/270367583.db2.gz NFLGORKTYXZJKE-HZMBPMFUSA-N 0 3 264.344 2.439 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000262526120 287717202 /nfs/dbraw/zinc/71/72/02/287717202.db2.gz GMBIYAVHSHWBSY-LWWSYDQCSA-N 0 3 296.386 2.391 10 0 CEAEHN Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@H](N(C)C)C3)cc21 ZINC000116749188 274700497 /nfs/dbraw/zinc/70/04/97/274700497.db2.gz MWFOWYANRGVFTI-LBPRGKRZSA-N 0 3 289.354 2.392 10 0 CEAEHN Cc1nc(-c2ccccc2)nc(N2CCNCC2)c1C ZINC000035768946 274835574 /nfs/dbraw/zinc/83/55/74/274835574.db2.gz DRDLRPRVFRKUOT-UHFFFAOYSA-N 0 3 268.364 2.170 10 0 CEAEHN O=C(Nc1nc2c(cccc2Cl)[nH]1)[C@H]1CCCCN1 ZINC000262253349 275001968 /nfs/dbraw/zinc/00/19/68/275001968.db2.gz QWMGIGXCFGLXSW-SNVBAGLBSA-N 0 3 278.743 2.297 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037042554 275702722 /nfs/dbraw/zinc/70/27/22/275702722.db2.gz VMDOOLBETQBMGB-AEJSXWLSSA-N 0 3 266.307 2.207 10 0 CEAEHN CC(C)n1cncc1CN[C@H]1CCCC[C@H]1CO ZINC000231295790 276087797 /nfs/dbraw/zinc/08/77/97/276087797.db2.gz WXFIOEFXLWSHLY-JSGCOSHPSA-N 0 3 251.374 2.105 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1c(C)nsc1NC ZINC000176964169 276169337 /nfs/dbraw/zinc/16/93/37/276169337.db2.gz CXDQERDGWHYMHJ-LLVKDONJSA-N 0 3 296.440 2.050 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](OC)c1ccccc1 ZINC000245436560 276180702 /nfs/dbraw/zinc/18/07/02/276180702.db2.gz VFHMELIRDNBOSX-HOTGVXAUSA-N 0 3 290.407 2.317 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@@H]1CC[C@H](SCC)C1 ZINC000121591347 276284937 /nfs/dbraw/zinc/28/49/37/276284937.db2.gz LLKGZIUXUYOULV-WOPDTQHZSA-N 0 3 258.431 2.246 10 0 CEAEHN CC(C)(C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000171585798 278264478 /nfs/dbraw/zinc/26/44/78/278264478.db2.gz BVCQHPKSRJBZMX-OAHLLOKOSA-N 0 3 272.392 2.271 10 0 CEAEHN CC(C)C[C@H](CO)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000040776319 279174341 /nfs/dbraw/zinc/17/43/41/279174341.db2.gz WZBPADHDLRSANK-TZMCWYRMSA-N 0 3 276.380 2.091 10 0 CEAEHN Cc1nccnc1[C@H](C)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000188230397 279176008 /nfs/dbraw/zinc/17/60/08/279176008.db2.gz ABIIGJJCWJRWAE-UBHSHLNASA-N 0 3 262.401 2.164 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NC1CCCCC1 ZINC000245475740 279328512 /nfs/dbraw/zinc/32/85/12/279328512.db2.gz SEECWBMAQFLXDA-ZBFHGGJFSA-N 0 3 295.471 2.240 10 0 CEAEHN NC(=O)C1(O)CCN(C[C@H]2CCCCC2(F)F)CC1 ZINC000336144573 279552342 /nfs/dbraw/zinc/55/23/42/279552342.db2.gz DNZGKWKCIUQRGY-SNVBAGLBSA-N 0 3 276.327 2.174 10 0 CEAEHN CN(C)C[C@H](NC(=O)NCc1ccoc1)c1ccccc1 ZINC000045185802 279603431 /nfs/dbraw/zinc/60/34/31/279603431.db2.gz SGUVOQLBMSQRDS-HNNXBMFYSA-N 0 3 287.363 2.382 10 0 CEAEHN C[C@H]1CN(c2ccnc3ccccc32)C[C@H]1N1CCOCC1 ZINC000246560178 279886038 /nfs/dbraw/zinc/88/60/38/279886038.db2.gz ROYKKHVCNXLANI-KBXCAEBGSA-N 0 3 297.402 2.392 10 0 CEAEHN CCOC[C@@H](C)N[C@@H](CN(C)C)c1ccccc1 ZINC000128699311 279893762 /nfs/dbraw/zinc/89/37/62/279893762.db2.gz YJIJUUBJNHHFJB-HIFRSBDPSA-N 0 3 250.386 2.304 10 0 CEAEHN CCC[C@H](C(=O)N1C[C@@H]2CCCC[C@@H]2C1)N(C)C ZINC000133792679 280005592 /nfs/dbraw/zinc/00/55/92/280005592.db2.gz FTWCFFJXLUKFBR-HZSPNIEDSA-N 0 3 252.402 2.365 10 0 CEAEHN C[C@@H](CCc1cccc(F)c1)N1CCCNC(=O)[C@@H]1C ZINC000189093719 280142590 /nfs/dbraw/zinc/14/25/90/280142590.db2.gz VLBBHFKYXUIOKI-STQMWFEESA-N 0 3 278.371 2.357 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@H](C)C(C)C ZINC000245459031 280241630 /nfs/dbraw/zinc/24/16/30/280241630.db2.gz DEMMSRLTYHCTRB-KBPBESRZSA-N 0 3 269.433 2.404 10 0 CEAEHN CC[C@H](NC(=O)N[C@H](CC(C)C)CN(C)C)[C@H]1CCCO1 ZINC000245900061 280264707 /nfs/dbraw/zinc/26/47/07/280264707.db2.gz LAGLIBUCNGOWAV-QLFBSQMISA-N 0 3 299.459 2.220 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247470358 280330680 /nfs/dbraw/zinc/33/06/80/280330680.db2.gz GWTAHVXURCCXEM-KFWWJZLASA-N 0 3 279.428 2.302 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@@H]2CCC[C@H]2C)C1 ZINC000249006930 280379496 /nfs/dbraw/zinc/37/94/96/280379496.db2.gz OAXLWSVZUJTBER-RDBSUJKOSA-N 0 3 252.402 2.413 10 0 CEAEHN COC[C@H](C)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000249182106 280387829 /nfs/dbraw/zinc/38/78/29/280387829.db2.gz IVMHBIVGURSHQB-RQJABVFESA-N 0 3 269.385 2.075 10 0 CEAEHN Cc1ccc2c(c1)[C@@H](NC[C@@H]1CN(C)CCO1)CCC2 ZINC000180492707 281092501 /nfs/dbraw/zinc/09/25/01/281092501.db2.gz FDPURTWQQLTFMM-WBVHZDCISA-N 0 3 274.408 2.293 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([O-])c1 ZINC000182533027 288310585 /nfs/dbraw/zinc/31/05/85/288310585.db2.gz XJRMXAPXTQUDPO-UONOGXRCSA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc([O-])c1 ZINC000182533027 288310586 /nfs/dbraw/zinc/31/05/86/288310586.db2.gz XJRMXAPXTQUDPO-UONOGXRCSA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(OC)c2)CCN1CCOC ZINC000155094693 289165162 /nfs/dbraw/zinc/16/51/62/289165162.db2.gz NSAQHMVIKBQZQH-INIZCTEOSA-N 0 3 292.423 2.238 10 0 CEAEHN COCCCNC(=O)[C@H](C)N[C@H](C)c1cccc(C)c1 ZINC000157296930 289211122 /nfs/dbraw/zinc/21/11/22/289211122.db2.gz CGERPRMZEAPFLC-KGLIPLIRSA-N 0 3 278.396 2.187 10 0 CEAEHN CO[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000128952636 294200153 /nfs/dbraw/zinc/20/01/53/294200153.db2.gz XGVQJOWSSRJVAT-CVEARBPZSA-N 0 3 292.423 2.467 10 0 CEAEHN Cc1cc([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)cs1 ZINC000296396179 301418756 /nfs/dbraw/zinc/41/87/56/301418756.db2.gz KEBBUECVTBEMRQ-HOSYDEDBSA-N 0 3 252.383 2.374 10 0 CEAEHN CCCC[C@@H](COC)NC(=O)[C@@H](CCC)N(C)C ZINC000161954308 312645812 /nfs/dbraw/zinc/64/58/12/312645812.db2.gz YBHDSCJORQDMHV-QWHCGFSZSA-N 0 3 258.406 2.038 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1c1cccc(N)c1 ZINC000536954250 330382872 /nfs/dbraw/zinc/38/28/72/330382872.db2.gz QZPJZXNISACYEL-OLZOCXBDSA-N 0 3 277.368 2.278 10 0 CEAEHN CC(C)CNCc1occc1CN1CCOC[C@@H]1C ZINC000052476114 519749504 /nfs/dbraw/zinc/74/95/04/519749504.db2.gz QJSXBYXEHNEXDE-ZDUSSCGKSA-N 0 3 266.385 2.246 10 0 CEAEHN CC[NH2+]CCS(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000049640688 519924618 /nfs/dbraw/zinc/92/46/18/519924618.db2.gz HUSIWVPDZMJCDX-UHFFFAOYSA-N 0 3 297.207 2.345 10 0 CEAEHN CCNCc1cnc(N2CCC[C@H](OCC)C2)s1 ZINC000054909564 520015747 /nfs/dbraw/zinc/01/57/47/520015747.db2.gz ZYQSJYZGEBBKLZ-NSHDSACASA-N 0 3 269.414 2.258 10 0 CEAEHN CCCCCCOC[C@](NCCC)(C(N)=O)C1CC1 ZINC000069195222 520099648 /nfs/dbraw/zinc/09/96/48/520099648.db2.gz CGIKNHNFSIEKRC-OAHLLOKOSA-N 0 3 270.417 2.217 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1cc(C)ccc1C)C(N)=O ZINC000068655935 520141767 /nfs/dbraw/zinc/14/17/67/520141767.db2.gz HAAGUDBMKAIQSA-CJNGLKHVSA-N 0 3 278.396 2.314 10 0 CEAEHN CCCCN(C)C[C@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069088992 520415967 /nfs/dbraw/zinc/41/59/67/520415967.db2.gz XXLZGNOPLYLVSF-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CCN(C[C@](NC(C)C)(C(=O)OC)C1CC1)C(C)C ZINC000069097161 521274776 /nfs/dbraw/zinc/27/47/76/521274776.db2.gz CXVWCQUFTZRALF-OAHLLOKOSA-N 0 3 270.417 2.037 10 0 CEAEHN CNCc1cccc(OC)c1OCCOC(C)C ZINC000049259092 522130407 /nfs/dbraw/zinc/13/04/07/522130407.db2.gz GETXNKIMONSSGO-UHFFFAOYSA-N 0 3 253.342 2.218 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCc1cccc(N)c1 ZINC000049561760 519336198 /nfs/dbraw/zinc/33/61/98/519336198.db2.gz QZFGMCDVXZMFED-MRXNPFEDSA-N 0 3 291.439 2.294 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCC(=O)NC1CCCCC1 ZINC000049556041 519340779 /nfs/dbraw/zinc/34/07/79/519340779.db2.gz GIZGWLYXPYGGGA-OAHLLOKOSA-N 0 3 283.460 2.001 10 0 CEAEHN CC(C)CCN(C)Cc1nc(NN)ccc1Cl ZINC000061638644 519650547 /nfs/dbraw/zinc/65/05/47/519650547.db2.gz PQDIXBKGYNADQK-UHFFFAOYSA-N 0 3 256.781 2.499 10 0 CEAEHN CC(C)NC(=O)[C@H](C)NCCc1cc(F)cc(F)c1 ZINC000060718561 519715201 /nfs/dbraw/zinc/71/52/01/519715201.db2.gz FDSRKKAENQSRSH-JTQLQIEISA-N 0 3 270.323 2.010 10 0 CEAEHN CC(C)NC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745719 519715446 /nfs/dbraw/zinc/71/54/46/519715446.db2.gz KWDFLFOCEJVBPK-UWVGGRQHSA-N 0 3 268.332 2.137 10 0 CEAEHN CC(C)CN1CCN(C[C@](C)(CO)c2ccccc2)CC1 ZINC000055082273 519726426 /nfs/dbraw/zinc/72/64/26/519726426.db2.gz NQONUQAOOHNTMZ-GOSISDBHSA-N 0 3 290.451 2.210 10 0 CEAEHN CC(C)CN1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069181974 519729028 /nfs/dbraw/zinc/72/90/28/519729028.db2.gz FVXRHWMUYXPGJG-UHFFFAOYSA-N 0 3 294.468 2.257 10 0 CEAEHN CC(C)CNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745668 519738747 /nfs/dbraw/zinc/73/87/47/519738747.db2.gz LOZQZUUVRNEGDZ-WDEREUQCSA-N 0 3 282.359 2.385 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NCC(=O)Nc1c(F)cccc1F ZINC000049204997 519793619 /nfs/dbraw/zinc/79/36/19/519793619.db2.gz IXVWNDZFAGRCJU-CYBMUJFWSA-N 0 3 299.365 2.079 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NCc1cccc2c1OCO2 ZINC000049197697 519793726 /nfs/dbraw/zinc/79/37/26/519793726.db2.gz NKGQCMUCTRWUGP-CYBMUJFWSA-N 0 3 264.369 2.091 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](C)c2c(N3CCNCC3)n[nH]c21 ZINC000062670033 519803361 /nfs/dbraw/zinc/80/33/61/519803361.db2.gz AYFHULBOIPESKI-NEPJUHHUSA-N 0 3 262.401 2.456 10 0 CEAEHN CCCN1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1 ZINC000054968969 519860059 /nfs/dbraw/zinc/86/00/59/519860059.db2.gz JORUEGXXSMLNRM-UHFFFAOYSA-N 0 3 296.484 2.431 10 0 CEAEHN CCCNC(=O)[C@H](CN)Cc1cccc2ccccc21 ZINC000050304060 519895058 /nfs/dbraw/zinc/89/50/58/519895058.db2.gz PQAQCIRHHDJJIC-HNNXBMFYSA-N 0 3 270.376 2.483 10 0 CEAEHN CCNC(C)(C)C(=O)N1CCCc2cc(OC)ccc21 ZINC000061298730 519904514 /nfs/dbraw/zinc/90/45/14/519904514.db2.gz FGTRPEPLBLGACM-UHFFFAOYSA-N 0 3 276.380 2.363 10 0 CEAEHN CCCNCc1ccc(OC)cc1OCCC(=O)OC ZINC000069317300 519950536 /nfs/dbraw/zinc/95/05/36/519950536.db2.gz QLOSCPWSTSYOIS-UHFFFAOYSA-N 0 3 281.352 2.137 10 0 CEAEHN CCCNCc1occc1CN(C)[C@H](C)COC ZINC000052511566 519972656 /nfs/dbraw/zinc/97/26/56/519972656.db2.gz AUKNKZPYUZQWNZ-GFCCVEGCSA-N 0 3 254.374 2.246 10 0 CEAEHN CCNCc1c(C)nn([C@H]2CCCCC[C@@H]2O)c1C ZINC000054600448 519984828 /nfs/dbraw/zinc/98/48/28/519984828.db2.gz HRDRGGKUHWHQNZ-GJZGRUSLSA-N 0 3 265.401 2.476 10 0 CEAEHN CCNCc1cc(Cl)ccc1OCCC(=O)OC ZINC000069316932 519990517 /nfs/dbraw/zinc/99/05/17/519990517.db2.gz KJPVXFPETPUVFG-UHFFFAOYSA-N 0 3 271.744 2.391 10 0 CEAEHN CCCN[C@@H](CS(C)(=O)=O)c1cncc2ccccc21 ZINC000069270544 520011574 /nfs/dbraw/zinc/01/15/74/520011574.db2.gz JZJBMTQFKUMFTF-HNNXBMFYSA-N 0 3 292.404 2.320 10 0 CEAEHN CCNCc1cnc(N2C[C@@H](C)OC[C@@H]2CC)s1 ZINC000054908773 520014910 /nfs/dbraw/zinc/01/49/10/520014910.db2.gz OCFJWISHHRJBCW-MNOVXSKESA-N 0 3 269.414 2.256 10 0 CEAEHN CCNCc1cnc(Cc2cc(F)cc(F)c2)nc1 ZINC000054855761 520016114 /nfs/dbraw/zinc/01/61/14/520016114.db2.gz YRHTWEHJVWEOJM-UHFFFAOYSA-N 0 3 263.291 2.455 10 0 CEAEHN CCNCc1oc2ccccc2c1CN1CCOCC1 ZINC000052377782 520031133 /nfs/dbraw/zinc/03/11/33/520031133.db2.gz XEVRQWKEYQZEGT-UHFFFAOYSA-N 0 3 274.364 2.375 10 0 CEAEHN CCCN[C@@](CN(C)CCC(C)C)(C(=O)OC)C1CC1 ZINC000069183694 520049878 /nfs/dbraw/zinc/04/98/78/520049878.db2.gz NDTFFRJQBUPOKF-MRXNPFEDSA-N 0 3 284.444 2.286 10 0 CEAEHN CCCN[C@H](CN1CCN(C)C1=O)c1ccc(OC)cc1 ZINC000052885770 520083123 /nfs/dbraw/zinc/08/31/23/520083123.db2.gz CHZVNMDEHGBDDB-OAHLLOKOSA-N 0 3 291.395 2.103 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1OC)[C@H]1COCCO1 ZINC000055300542 520090131 /nfs/dbraw/zinc/09/01/31/520090131.db2.gz JRVMEAPNJLPIEN-HZPDHXFCSA-N 0 3 295.379 2.160 10 0 CEAEHN CCN[C@@H](CCOc1cccc2ccccc21)C(N)=O ZINC000062550495 520095218 /nfs/dbraw/zinc/09/52/18/520095218.db2.gz IJOIMZOCWPCJEO-AWEZNQCLSA-N 0 3 272.348 2.072 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3nc(C)no3)ccc21 ZINC000062804659 520123898 /nfs/dbraw/zinc/12/38/98/520123898.db2.gz JORUNIKKBMNLFG-GFCCVEGCSA-N 0 3 275.308 2.000 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3nnc(C)o3)ccc21 ZINC000062804667 520124970 /nfs/dbraw/zinc/12/49/70/520124970.db2.gz RPBQDMZBGNAGTQ-GFCCVEGCSA-N 0 3 275.308 2.000 10 0 CEAEHN CCCNc1ccc(C(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000050773017 520148734 /nfs/dbraw/zinc/14/87/34/520148734.db2.gz UKQSSTJZVZIDBU-OAHLLOKOSA-N 0 3 275.396 2.333 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCOCC2(C)C)s1 ZINC000054909183 520181384 /nfs/dbraw/zinc/18/13/84/520181384.db2.gz SULUEWVVHMYEST-SNVBAGLBSA-N 0 3 269.414 2.429 10 0 CEAEHN CCN[C@H](c1ccccc1)[C@H](C(C)C)S(C)(=O)=O ZINC000054930407 520210325 /nfs/dbraw/zinc/21/03/25/520210325.db2.gz QHGXJOTVFNATKR-KGLIPLIRSA-N 0 3 269.410 2.406 10 0 CEAEHN CCN[C@H]1COc2cc(OCCn3cccn3)ccc21 ZINC000062804594 520221889 /nfs/dbraw/zinc/22/18/89/520221889.db2.gz JGAHJXMHWZRZOQ-AWEZNQCLSA-N 0 3 273.336 2.005 10 0 CEAEHN CCNc1cc(CN2CCN([C@H](C)CC)CC2)ccn1 ZINC000055071287 520273304 /nfs/dbraw/zinc/27/33/04/520273304.db2.gz BBDOVPAMVPQRCH-CQSZACIVSA-N 0 3 276.428 2.430 10 0 CEAEHN CCNc1ccccc1C(=O)N(C)C1CCN(C)CC1 ZINC000050727836 520337010 /nfs/dbraw/zinc/33/70/10/520337010.db2.gz IQTIEZBTWFQGMP-UHFFFAOYSA-N 0 3 275.396 2.285 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cnccn2)C12CCOCC2 ZINC000185005409 520433918 /nfs/dbraw/zinc/43/39/18/520433918.db2.gz JXQULDOZUFBOQX-AEGPPILISA-N 0 3 291.395 2.101 10 0 CEAEHN CC1(C)CN([C@@H](CN)c2cccc3cccnc32)CCO1 ZINC000069502517 520493160 /nfs/dbraw/zinc/49/31/60/520493160.db2.gz LMCLZMSROXITIA-HNNXBMFYSA-N 0 3 285.391 2.345 10 0 CEAEHN CC1(C)COCCN1Cc1occc1CNC1CC1 ZINC000052546082 520507674 /nfs/dbraw/zinc/50/76/74/520507674.db2.gz LSKXUFJOSLGGGP-UHFFFAOYSA-N 0 3 264.369 2.142 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)C[C@H](C)CC[C@@H]1C ZINC000068631269 520690142 /nfs/dbraw/zinc/69/01/42/520690142.db2.gz QAEDJDYHZWPBMA-IJEWVQPXSA-N 0 3 284.444 2.286 10 0 CEAEHN CCC[C@@H](NCC(=O)N[C@H](C)COC)c1cccs1 ZINC000049544047 520771599 /nfs/dbraw/zinc/77/15/99/520771599.db2.gz URGOEACVZJWHDL-VXGBXAGGSA-N 0 3 284.425 2.330 10 0 CEAEHN CCOC(=O)C[C@]1(N2CCOCC2)CCC[C@@H](C)[C@@H]1C ZINC000068633932 520902473 /nfs/dbraw/zinc/90/24/73/520902473.db2.gz JYBHYDMZCQJDOH-IJEWVQPXSA-N 0 3 283.412 2.467 10 0 CEAEHN CCOc1ccc(C)cc1[C@H](NC)[C@H]1COCCO1 ZINC000055301425 520927993 /nfs/dbraw/zinc/92/79/93/520927993.db2.gz WUYLTWPGLMIRJX-CABCVRRESA-N 0 3 265.353 2.070 10 0 CEAEHN CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000049569989 521074883 /nfs/dbraw/zinc/07/48/83/521074883.db2.gz ZDWBUWUPIPACBM-SNVBAGLBSA-N 0 3 254.305 2.290 10 0 CEAEHN CCOc1ccc(OCc2ccnc(C(=N)N)c2)cc1 ZINC000068762409 521180812 /nfs/dbraw/zinc/18/08/12/521180812.db2.gz DMEUUIXBADGQRP-UHFFFAOYSA-N 0 3 271.320 2.343 10 0 CEAEHN CCOc1ccc([C@](C)(N)COC)cc1OCC ZINC000055198915 521277120 /nfs/dbraw/zinc/27/71/20/521277120.db2.gz RKAGQZRSOPFMAH-CQSZACIVSA-N 0 3 253.342 2.304 10 0 CEAEHN CCC(C)(C)N(C)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000069016757 521298701 /nfs/dbraw/zinc/29/87/01/521298701.db2.gz HHUJYSSJLDVLKC-UHFFFAOYSA-N 0 3 270.764 2.281 10 0 CEAEHN CCCc1nc(COc2c(CN)cccc2OCC)no1 ZINC000049339393 521519263 /nfs/dbraw/zinc/51/92/63/521519263.db2.gz WBTVKHLAWIOSJE-UHFFFAOYSA-N 0 3 291.351 2.459 10 0 CEAEHN CCOc1ccccc1[C@@H](CN)N(C)CCCOC ZINC000062030090 521576662 /nfs/dbraw/zinc/57/66/62/521576662.db2.gz WHELAAIEZHJSRQ-CQSZACIVSA-N 0 3 266.385 2.053 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC2CCCCCC2)C1 ZINC000052497517 521620028 /nfs/dbraw/zinc/62/00/28/521620028.db2.gz LVSSYZVQBFBBIG-CQSZACIVSA-N 0 3 267.417 2.493 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2cccc3c2NCCC3)C1 ZINC000050957959 521648416 /nfs/dbraw/zinc/64/84/16/521648416.db2.gz IQDCQXLJLCKIQP-AWEZNQCLSA-N 0 3 287.407 2.259 10 0 CEAEHN CCN1CCC[C@H]1CNc1cc(C)nc(Cl)n1 ZINC000052814286 521658575 /nfs/dbraw/zinc/65/85/75/521658575.db2.gz WKFRSVDKTBWRFA-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2ccccc2OC)c[nH]1 ZINC000052811096 521834710 /nfs/dbraw/zinc/83/47/10/521834710.db2.gz BZPAOHUEOIUJCC-LLVKDONJSA-N 0 3 261.325 2.122 10 0 CEAEHN CN(C)C[C@H]1CCCN1CCC(=O)c1ccc(F)cc1 ZINC000061645761 521866525 /nfs/dbraw/zinc/86/65/25/521866525.db2.gz GTYFPMXLBYQEBN-OAHLLOKOSA-N 0 3 278.371 2.425 10 0 CEAEHN CCc1ccccc1[C@@H](CN)N(C)Cc1cnn(C)c1 ZINC000052203730 521929782 /nfs/dbraw/zinc/92/97/82/521929782.db2.gz JLEWTRGWRUMHGI-MRXNPFEDSA-N 0 3 272.396 2.114 10 0 CEAEHN COCC[C@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000052808533 521937151 /nfs/dbraw/zinc/93/71/51/521937151.db2.gz SAEIFEXEIVYCSN-MFKMUULPSA-N 0 3 284.787 2.223 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000061316760 521943344 /nfs/dbraw/zinc/94/33/44/521943344.db2.gz SOZWNHBSJWQEMG-UHFFFAOYSA-N 0 3 279.359 2.362 10 0 CEAEHN CNCc1cc(CN2CC[C@@H](c3ccccc3)C2)on1 ZINC000052373085 522107606 /nfs/dbraw/zinc/10/76/06/522107606.db2.gz GYFGEDFNQLFFIO-CQSZACIVSA-N 0 3 271.364 2.384 10 0 CEAEHN CNCc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000052573098 522115999 /nfs/dbraw/zinc/11/59/99/522115999.db2.gz DREQMONZSBGKHQ-GJZGRUSLSA-N 0 3 264.369 2.142 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000055073116 522123989 /nfs/dbraw/zinc/12/39/89/522123989.db2.gz PDLLACUNWDWSST-PMPSAXMXSA-N 0 3 268.445 2.344 10 0 CEAEHN CC[C@@H](C)N1CCN([C@H]2CNc3ccccc3C2)CC1 ZINC000055067308 522130791 /nfs/dbraw/zinc/13/07/91/522130791.db2.gz XTQVVGRXUMDJHC-GDBMZVCRSA-N 0 3 273.424 2.439 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ncc([C@H](C)N)s2)CC1 ZINC000055076318 522136879 /nfs/dbraw/zinc/13/68/79/522136879.db2.gz QPMQANOPOHPNGQ-MNOVXSKESA-N 0 3 268.430 2.083 10 0 CEAEHN COC(=O)c1ccccc1CN[C@@H](C)CN1CCCC1 ZINC000049150715 522264356 /nfs/dbraw/zinc/26/43/56/522264356.db2.gz WLSOVOVZTJQEOP-ZDUSSCGKSA-N 0 3 276.380 2.047 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052395773 522321660 /nfs/dbraw/zinc/32/16/60/522321660.db2.gz YELWSYZFQKTWDN-AJNSSVRESA-N 0 3 264.413 2.315 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@@H]1CCC[C@@H]1O ZINC000062746342 522331639 /nfs/dbraw/zinc/33/16/39/522331639.db2.gz BTPZVXMOAITPIT-TVYUQYBPSA-N 0 3 253.317 2.398 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1ccccc1F)C(F)(F)F ZINC000062784531 522342600 /nfs/dbraw/zinc/34/26/00/522342600.db2.gz MIYOLCUYLFSFKS-UWVGGRQHSA-N 0 3 251.223 2.313 10 0 CEAEHN CCc1nc(CN[C@@H](CN(C)C)C(C)C)cs1 ZINC000049591363 522349757 /nfs/dbraw/zinc/34/97/57/522349757.db2.gz LWFHWJJDRKJRMW-LBPRGKRZSA-N 0 3 255.431 2.381 10 0 CEAEHN CN[C@@H](Cc1cnn(C)c1)c1nccc2ccccc21 ZINC000069314514 522363221 /nfs/dbraw/zinc/36/32/21/522363221.db2.gz LCYVQAZJFNLATE-HNNXBMFYSA-N 0 3 266.348 2.472 10 0 CEAEHN CN[C@H](C)c1cc(Cl)ccc1OC[C@@H]1CNC(=O)O1 ZINC000050209861 522445568 /nfs/dbraw/zinc/44/55/68/522445568.db2.gz BRVPBQZDCOFQLH-SCZZXKLOSA-N 0 3 284.743 2.108 10 0 CEAEHN CN[C@H](c1ccccc1)[C@H](C(C)C)S(C)(=O)=O ZINC000054930242 522486156 /nfs/dbraw/zinc/48/61/56/522486156.db2.gz XMWMVJZOKXMZMV-OLZOCXBDSA-N 0 3 255.383 2.016 10 0 CEAEHN CCc1nccn1C[C@@H](N)c1ccc2c(c1)OCCCO2 ZINC000048821706 522584738 /nfs/dbraw/zinc/58/47/38/522584738.db2.gz VASBBUUSKHGFML-CYBMUJFWSA-N 0 3 287.363 2.307 10 0 CEAEHN COc1cc(OC)c(CN[C@H]2C[C@H]2C)c(OC)c1 ZINC000052272847 522797053 /nfs/dbraw/zinc/79/70/53/522797053.db2.gz JREGPJPZLPAAHZ-SKDRFNHKSA-N 0 3 251.326 2.210 10 0 CEAEHN CC[C@@H](NCCc1ccc(Cl)cc1Cl)C(N)=O ZINC000061676431 522841768 /nfs/dbraw/zinc/84/17/68/522841768.db2.gz GWCNVEVPAWPEJA-LLVKDONJSA-N 0 3 275.179 2.389 10 0 CEAEHN CC[C@@H](Oc1c(Cl)cc(Cl)cc1CN)C(N)=O ZINC000061675941 523036584 /nfs/dbraw/zinc/03/65/84/523036584.db2.gz ORXTZHWRDUCLLR-SECBINFHSA-N 0 3 277.151 2.095 10 0 CEAEHN CC[C@H]1COCCN1c1ccc(Cl)cc1CN ZINC000052856929 523338469 /nfs/dbraw/zinc/33/84/69/523338469.db2.gz PYSKIGSEXVFIDK-LBPRGKRZSA-N 0 3 254.761 2.414 10 0 CEAEHN CC[C@H]1COCCN1c1ccccc1CNCCOC ZINC000062736344 523338918 /nfs/dbraw/zinc/33/89/18/523338918.db2.gz FHRRJSSMQZUMPX-HNNXBMFYSA-N 0 3 278.396 2.038 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1Cc1cc(C)c(CN)o1 ZINC000052571051 523516557 /nfs/dbraw/zinc/51/65/57/523516557.db2.gz ZUZDWXQIIPBKFR-VXGBXAGGSA-N 0 3 252.358 2.046 10 0 CEAEHN CN(Cc1cnn(C)c1)c1nc2ccccc2cc1CN ZINC000048985841 523519751 /nfs/dbraw/zinc/51/97/51/523519751.db2.gz OHOWOUAJDFZKDV-UHFFFAOYSA-N 0 3 281.363 2.063 10 0 CEAEHN CN(Cc1nc(NN)ccc1Cl)C[C@H]1CCCCO1 ZINC000061631288 523555762 /nfs/dbraw/zinc/55/57/62/523555762.db2.gz PGCNNWVFAWXWMQ-SNVBAGLBSA-N 0 3 284.791 2.022 10 0 CEAEHN COCCN(C)Cc1occc1CNC(C)(C)C ZINC000052572802 523623323 /nfs/dbraw/zinc/62/33/23/523623323.db2.gz UBLJZZGYBKXTGW-UHFFFAOYSA-N 0 3 254.374 2.246 10 0 CEAEHN CN1CCC(Nc2cc(Cl)ccc2C(N)=S)CC1 ZINC000062788051 523778646 /nfs/dbraw/zinc/77/86/46/523778646.db2.gz NPOJRNHLXZECHV-UHFFFAOYSA-N 0 3 283.828 2.480 10 0 CEAEHN COCCN([C@H](CN)c1ccc(F)c(C)c1)C1CC1 ZINC000050546400 523782479 /nfs/dbraw/zinc/78/24/79/523782479.db2.gz KXLIBAKFRFNGSG-OAHLLOKOSA-N 0 3 266.360 2.245 10 0 CEAEHN COCCN(c1ccc(Cl)cc1CN)[C@H](C)COC ZINC000052857482 523784735 /nfs/dbraw/zinc/78/47/35/523784735.db2.gz JCDKOCXENIWOBU-LLVKDONJSA-N 0 3 286.803 2.286 10 0 CEAEHN CC[C@H](C)CNS(=O)(=O)c1cccc([C@@H](N)CC)c1 ZINC000054489172 523886330 /nfs/dbraw/zinc/88/63/30/523886330.db2.gz ZBZGZIBJVLHVBZ-FZMZJTMJSA-N 0 3 284.425 2.421 10 0 CEAEHN COCCNCc1cc(OC)ccc1OCC(C)C ZINC000062727695 523950246 /nfs/dbraw/zinc/95/02/46/523950246.db2.gz JOXVXJCBXHOOJB-UHFFFAOYSA-N 0 3 267.369 2.466 10 0 CEAEHN CC[C@H](C)NC(=O)CCn1c(N)nc2ccc(F)cc21 ZINC000052123164 523969830 /nfs/dbraw/zinc/96/98/30/523969830.db2.gz CIOSOEZUAQJQNH-VIFPVBQESA-N 0 3 278.331 2.062 10 0 CEAEHN CCc1ccc(OC[C@@](NC(C)C)(C(N)=O)C2CC2)cc1 ZINC000069197151 524006373 /nfs/dbraw/zinc/00/63/73/524006373.db2.gz GPGDZMSYGTZSOJ-KRWDZBQOSA-N 0 3 290.407 2.260 10 0 CEAEHN CCc1ccc(OCC[C@H](NC)C(N)=O)c(C(C)(C)C)c1 ZINC000062546687 524006399 /nfs/dbraw/zinc/00/63/99/524006399.db2.gz IJODISBSGCDXAM-AWEZNQCLSA-N 0 3 292.423 2.389 10 0 CEAEHN COCCOCCOc1ccccc1CNC(C)C ZINC000052628231 524012986 /nfs/dbraw/zinc/01/29/86/524012986.db2.gz GLVPHWFVSPBZFI-UHFFFAOYSA-N 0 3 267.369 2.226 10 0 CEAEHN CNC(=O)CCCN[C@H](c1ccccc1)c1ccncc1 ZINC000068817700 524065104 /nfs/dbraw/zinc/06/51/04/524065104.db2.gz DAPDJEBVDNSENH-QGZVFWFLSA-N 0 3 283.375 2.287 10 0 CEAEHN CNC(=O)[C@@H](CC(C)C)NCc1ccc2ncccc2c1 ZINC000067503179 524080942 /nfs/dbraw/zinc/08/09/42/524080942.db2.gz GLNRDYMFDHFXAR-MRXNPFEDSA-N 0 3 285.391 2.485 10 0 CEAEHN COc1cccc([C@@H](O)CN2CCN(CC(C)C)CC2)c1 ZINC000055080942 524103868 /nfs/dbraw/zinc/10/38/68/524103868.db2.gz MBULIKCPVXSHTL-KRWDZBQOSA-N 0 3 292.423 2.002 10 0 CEAEHN COc1cccc([C@@H](O)[C@@H](N)c2ccccc2)c1OC ZINC000054681695 524105600 /nfs/dbraw/zinc/10/56/00/524105600.db2.gz PVPDCKSZNVERNO-LSDHHAIUSA-N 0 3 273.332 2.437 10 0 CEAEHN C[C@@H]1CCCC[N@@H+]1CCCn1ccc(=O)[n-]c1=S ZINC000052312753 524107420 /nfs/dbraw/zinc/10/74/20/524107420.db2.gz NXANPLGHZPWVND-LLVKDONJSA-N 0 3 267.398 2.170 10 0 CEAEHN C[C@@H]1CCCC[N@H+]1CCCn1ccc(=O)[n-]c1=S ZINC000052312753 524107429 /nfs/dbraw/zinc/10/74/29/524107429.db2.gz NXANPLGHZPWVND-LLVKDONJSA-N 0 3 267.398 2.170 10 0 CEAEHN COc1ccc(COc2cc3c(cc2CN)OCO3)cc1 ZINC000068729247 524119997 /nfs/dbraw/zinc/11/99/97/524119997.db2.gz LKUXWWIUHTVYDC-UHFFFAOYSA-N 0 3 287.315 2.462 10 0 CEAEHN COc1ccc(C[C@H](CN)C(=O)N2CCCCCC2)cc1 ZINC000050305157 524154084 /nfs/dbraw/zinc/15/40/84/524154084.db2.gz UHIPGWQHFQYTLZ-OAHLLOKOSA-N 0 3 290.407 2.215 10 0 CEAEHN Cc1cccc(C(=O)N[C@@H](C)CN2CCCCC2)c1N ZINC000049500440 524203587 /nfs/dbraw/zinc/20/35/87/524203587.db2.gz ATBBPHPMVLZVBB-ZDUSSCGKSA-N 0 3 275.396 2.181 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1cccc2[nH]ccc21 ZINC000049189005 524317359 /nfs/dbraw/zinc/31/73/59/524317359.db2.gz KLONGTSEFHTHMO-GFCCVEGCSA-N 0 3 271.364 2.382 10 0 CEAEHN C[C@@H]1CCC[C@@H](SCCN[C@@H]2CCS(=O)(=O)C2)C1 ZINC000054696730 524320623 /nfs/dbraw/zinc/32/06/23/524320623.db2.gz JHDJPYSZSNSNJK-JHJVBQTASA-N 0 3 291.482 2.075 10 0 CEAEHN C[C@H](CN1CCCCC1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601270 524328283 /nfs/dbraw/zinc/32/82/83/524328283.db2.gz DPLCBEYMECJHKW-KFWWJZLASA-N 0 3 264.413 2.447 10 0 CEAEHN C[C@H](CN1CCOCC1)NCc1nc2ccccc2s1 ZINC000049504348 524356599 /nfs/dbraw/zinc/35/65/99/524356599.db2.gz RDSVEGXPZNUXGE-GFCCVEGCSA-N 0 3 291.420 2.107 10 0 CEAEHN C[C@@H](CN1CCCC1)NC[C@@H](O)c1c(F)cccc1F ZINC000048556373 524592748 /nfs/dbraw/zinc/59/27/48/524592748.db2.gz KFKVKHPQVISMFY-SMDDNHRTSA-N 0 3 284.350 2.072 10 0 CEAEHN COc1ccccc1NC(=O)CNC[C@H](C)CSC ZINC000069448176 524595644 /nfs/dbraw/zinc/59/56/44/524595644.db2.gz WTVZUBPZZSDILT-NSHDSACASA-N 0 3 282.409 2.222 10 0 CEAEHN C[C@@H](CN1CCOCC1)NCc1nc2ccccc2s1 ZINC000049504346 524628589 /nfs/dbraw/zinc/62/85/89/524628589.db2.gz RDSVEGXPZNUXGE-LBPRGKRZSA-N 0 3 291.420 2.107 10 0 CEAEHN C[C@H](Cc1c(F)cccc1F)NCc1ccncn1 ZINC000054789642 524687686 /nfs/dbraw/zinc/68/76/86/524687686.db2.gz LQRRTAJZYAYJAW-SNVBAGLBSA-N 0 3 263.291 2.476 10 0 CEAEHN Cc1cc(CN2CCN(C3CCCC3)CC2)oc1CN ZINC000052573507 524693528 /nfs/dbraw/zinc/69/35/28/524693528.db2.gz CMSNGWQNLVEONM-UHFFFAOYSA-N 0 3 277.412 2.107 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000069132930 524697128 /nfs/dbraw/zinc/69/71/28/524697128.db2.gz MYRBKOOPKPBUIU-BQBZGAKWSA-N 0 3 276.167 2.144 10 0 CEAEHN Cc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049631633 524757798 /nfs/dbraw/zinc/75/77/98/524757798.db2.gz UOJNDZMHFHVNDU-LLVKDONJSA-N 0 3 288.800 2.142 10 0 CEAEHN Cc1cccc(SCC[C@H](NC(C)C)C(N)=O)c1 ZINC000062601551 524810284 /nfs/dbraw/zinc/81/02/84/524810284.db2.gz ORYMBHSCDPCAKF-ZDUSSCGKSA-N 0 3 266.410 2.329 10 0 CEAEHN Cc1ccc(F)c([C@]([O-])([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784288 524836202 /nfs/dbraw/zinc/83/62/02/524836202.db2.gz KMKBGQKHOHWQSY-GMSGAONNSA-N 0 3 251.223 2.231 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(N)=O)Oc1ccc(F)cc1F ZINC000068654788 524853391 /nfs/dbraw/zinc/85/33/91/524853391.db2.gz BSJYHGITVANYAG-BJOHPYRUSA-N 0 3 298.333 2.118 10 0 CEAEHN C[C@@H](C[C@](C)(N)C(N)=O)Oc1ccc(C(C)(C)C)cc1 ZINC000068655786 524859503 /nfs/dbraw/zinc/85/95/03/524859503.db2.gz DFWIFHUFDOUBMW-ZBEGNZNMSA-N 0 3 278.396 2.344 10 0 CEAEHN C[C@@H]1CN(CCCCCn2cccn2)C[C@@H](C)O1 ZINC000068454858 524942986 /nfs/dbraw/zinc/94/29/86/524942986.db2.gz CNBRNWJJZMFMEV-ZIAGYGMSSA-N 0 3 251.374 2.163 10 0 CEAEHN COc1ncccc1[C@H](N)c1ccc2c(c1)CCO2 ZINC000061443270 525077264 /nfs/dbraw/zinc/07/72/64/525077264.db2.gz ZQIXJTULUISOMS-CQSZACIVSA-N 0 3 256.305 2.073 10 0 CEAEHN Cc1cc(N2CCN(CC(C)C)CC2)nc(Cl)n1 ZINC000055084663 525079684 /nfs/dbraw/zinc/07/96/84/525079684.db2.gz HFXVNIKXWPIUMJ-UHFFFAOYSA-N 0 3 268.792 2.216 10 0 CEAEHN Cc1ccccc1CN(C)C(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000183191707 525120129 /nfs/dbraw/zinc/12/01/29/525120129.db2.gz ANVVPXAMJNEQRX-HOCLYGCPSA-N 0 3 290.407 2.111 10 0 CEAEHN C[C@@H]1COCCN1Cc1oc2ccccc2c1CN ZINC000052475966 525128799 /nfs/dbraw/zinc/12/87/99/525128799.db2.gz MGRSZJAKMBZBAQ-LLVKDONJSA-N 0 3 260.337 2.112 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCOC(C)(C)C2)cc1C ZINC000050596691 525179581 /nfs/dbraw/zinc/17/95/81/525179581.db2.gz FQPCZIZGUHGISN-CQSZACIVSA-N 0 3 278.396 2.114 10 0 CEAEHN Cc1ccc(NC(=O)[C@@H](CN)c2ccccc2)nc1 ZINC000061611007 525197737 /nfs/dbraw/zinc/19/77/37/525197737.db2.gz NQQGEAITUXMEJE-ZDUSSCGKSA-N 0 3 255.321 2.071 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](CN)c1ccccc1)c1cccc(O)c1 ZINC000061611635 525262383 /nfs/dbraw/zinc/26/23/83/525262383.db2.gz PVVKBJLVINEWHF-WBMJQRKESA-N 0 3 284.359 2.312 10 0 CEAEHN Cc1cc(NC[C@@H]2CCCCN2C)nc(Cl)n1 ZINC000052814876 525273407 /nfs/dbraw/zinc/27/34/07/525273407.db2.gz DVEUHCVCKKWDGH-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN Cc1ccccc1O[C@H](C)C[C@@](C)(NC1CC1)C(N)=O ZINC000068656325 525323403 /nfs/dbraw/zinc/32/34/03/525323403.db2.gz GRGNGLZXZNKWCA-MLGOLLRUSA-N 0 3 276.380 2.148 10 0 CEAEHN C[C@H](NCCc1ccsc1)C(=O)N1CCCCC1 ZINC000049181363 525370804 /nfs/dbraw/zinc/37/08/04/525370804.db2.gz OHSRPNVRCKKRJD-LBPRGKRZSA-N 0 3 266.410 2.281 10 0 CEAEHN COc1ccc([C@H]2[C@H](N)CC(=O)N2C(C)C)cc1Cl ZINC000062209506 525435523 /nfs/dbraw/zinc/43/55/23/525435523.db2.gz VAFHZXSOLHPJLL-RISCZKNCSA-N 0 3 282.771 2.358 10 0 CEAEHN Cc1cc([C@H]2[C@@H](N)CC(=O)N2C(C)C)c(C)s1 ZINC000070293762 525552645 /nfs/dbraw/zinc/55/26/45/525552645.db2.gz ZGJRXUVBXBIPBG-AAEUAGOBSA-N 0 3 252.383 2.374 10 0 CEAEHN Cc1c(Cl)cccc1[N-]S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049640670 525779344 /nfs/dbraw/zinc/77/93/44/525779344.db2.gz QGWMCPNFNUCVAZ-JTQLQIEISA-N 0 3 288.800 2.142 10 0 CEAEHN Cc1ccc(=O)n(C[C@H](N)c2ccc(OC(C)C)cc2)n1 ZINC000061810420 525978066 /nfs/dbraw/zinc/97/80/66/525978066.db2.gz YDZKSJRSWYANMS-HNNXBMFYSA-N 0 3 287.363 2.039 10 0 CEAEHN Cc1nn([C@@H](C)C[C@](C)(NC2CC2)C(N)=O)c(C)c1Cl ZINC000068649808 526301361 /nfs/dbraw/zinc/30/13/61/526301361.db2.gz XZIACOKJQIOCPO-RTHLEPHNSA-N 0 3 298.818 2.100 10 0 CEAEHN Cc1nn([C@H](CN)c2cccnc2)c(C)c1Cl ZINC000050586343 526306322 /nfs/dbraw/zinc/30/63/22/526306322.db2.gz ZJYZNEJVMPSRFT-LLVKDONJSA-N 0 3 250.733 2.096 10 0 CEAEHN O[C@H]1CCN(c2cccc(Cl)c2CNC2CC2)C1 ZINC000061711227 526312192 /nfs/dbraw/zinc/31/21/92/526312192.db2.gz AFHYXYXRUFXFCF-NSHDSACASA-N 0 3 266.772 2.163 10 0 CEAEHN O[C@]1(c2cncc3ccccc32)CCN(C2CC2)C1 ZINC000069266217 526323231 /nfs/dbraw/zinc/32/32/31/526323231.db2.gz FFQLSOQVSPSUEO-MRXNPFEDSA-N 0 3 254.333 2.291 10 0 CEAEHN Fc1ccc(Br)cc1COC1CNC1 ZINC000062809860 526324610 /nfs/dbraw/zinc/32/46/10/526324610.db2.gz QMEYZTJMRDDJMD-UHFFFAOYSA-N 0 3 260.106 2.077 10 0 CEAEHN Cc1oc(CN2CCOCC2)cc1CNC(C)(C)C ZINC000052377772 526771440 /nfs/dbraw/zinc/77/14/40/526771440.db2.gz GNBMROOVLZAOMR-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN Cc1occc1CN(C)c1nnc(C)c(C)c1CN ZINC000048911962 526827163 /nfs/dbraw/zinc/82/71/63/526827163.db2.gz NJSGKBIBIDVURH-UHFFFAOYSA-N 0 3 260.341 2.090 10 0 CEAEHN Cc1nc(CN(C)Cc2nc(NN)ccc2Cl)cs1 ZINC000061631585 526842846 /nfs/dbraw/zinc/84/28/46/526842846.db2.gz KMJDNOCRDVCTBY-UHFFFAOYSA-N 0 3 297.815 2.418 10 0 CEAEHN NC(=O)[C@@H](CCSc1ccc(F)c(F)c1)NC1CC1 ZINC000062596879 526953716 /nfs/dbraw/zinc/95/37/16/526953716.db2.gz BPCHJEONFUSQST-GFCCVEGCSA-N 0 3 286.347 2.053 10 0 CEAEHN NC(=O)[C@H](N)CCSc1ccc2ccccc2c1 ZINC000062600528 526994508 /nfs/dbraw/zinc/99/45/08/526994508.db2.gz GHAPXUQDNPVAMX-CYBMUJFWSA-N 0 3 260.362 2.135 10 0 CEAEHN NC(=S)c1ccc(Cl)cc1NCCN1CCCC1 ZINC000062788551 527118814 /nfs/dbraw/zinc/11/88/14/527118814.db2.gz BEWAKPPKSXQPAZ-UHFFFAOYSA-N 0 3 283.828 2.482 10 0 CEAEHN NC1(c2nc(-c3nncn3C3CCCC3)c[nH]2)CCC1 ZINC000054526371 527132762 /nfs/dbraw/zinc/13/27/62/527132762.db2.gz GDKOGYZWEUWECP-UHFFFAOYSA-N 0 3 272.356 2.121 10 0 CEAEHN NC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000061611025 527202189 /nfs/dbraw/zinc/20/21/89/527202189.db2.gz SRHXDAFNRDCQHG-CYBMUJFWSA-N 0 3 284.315 2.096 10 0 CEAEHN NC[C@H](C(=O)N(CC(F)(F)F)C1CC1)c1ccccc1 ZINC000061613010 527222672 /nfs/dbraw/zinc/22/26/72/527222672.db2.gz FYLYXMYWLNPBQQ-LBPRGKRZSA-N 0 3 286.297 2.282 10 0 CEAEHN NCc1ccc(Cl)cc1N1CCN(C2CC2)CC1 ZINC000062786915 527253921 /nfs/dbraw/zinc/25/39/21/527253921.db2.gz PHMWAIGGBHYQKP-UHFFFAOYSA-N 0 3 265.788 2.083 10 0 CEAEHN NCc1ccc(NC(=O)C2(c3ccccc3)CC2)nc1 ZINC000061617541 527256428 /nfs/dbraw/zinc/25/64/28/527256428.db2.gz CYSJLBYLTUUFEP-UHFFFAOYSA-N 0 3 267.332 2.211 10 0 CEAEHN NNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1 ZINC000051122334 527273245 /nfs/dbraw/zinc/27/32/45/527273245.db2.gz LJNLJIYEVPKEJY-UHFFFAOYSA-N 0 3 280.690 2.412 10 0 CEAEHN NN=c1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc[nH]1 ZINC000051122334 527273249 /nfs/dbraw/zinc/27/32/49/527273249.db2.gz LJNLJIYEVPKEJY-UHFFFAOYSA-N 0 3 280.690 2.412 10 0 CEAEHN NNc1cc(C(=O)Nc2cccc3ncccc32)ccn1 ZINC000051089936 527273976 /nfs/dbraw/zinc/27/39/76/527273976.db2.gz CEBQJIBORIJHBG-UHFFFAOYSA-N 0 3 279.303 2.168 10 0 CEAEHN NN=c1cc(C(=O)Nc2cccc3ncccc32)cc[nH]1 ZINC000051089936 527273983 /nfs/dbraw/zinc/27/39/83/527273983.db2.gz CEBQJIBORIJHBG-UHFFFAOYSA-N 0 3 279.303 2.168 10 0 CEAEHN NNc1ccc(Cl)c(Cn2cnc3ccccc32)n1 ZINC000061639192 527280698 /nfs/dbraw/zinc/28/06/98/527280698.db2.gz ZBSINSMDYKQRGN-UHFFFAOYSA-N 0 3 273.727 2.419 10 0 CEAEHN N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1COCCO1 ZINC000055301067 527338949 /nfs/dbraw/zinc/33/89/49/527338949.db2.gz QQGXCVSSJOZHCS-MNOVXSKESA-N 0 3 262.136 2.409 10 0 CEAEHN N[C@@H](c1cncnc1)c1cccc(Br)c1 ZINC000052887008 527339524 /nfs/dbraw/zinc/33/95/24/527339524.db2.gz QRAKJPFUMHPYTA-LLVKDONJSA-N 0 3 264.126 2.287 10 0 CEAEHN N[C@@H]1COc2cc(OC[C@H](O)c3ccccc3)ccc21 ZINC000062803660 527376344 /nfs/dbraw/zinc/37/63/44/527376344.db2.gz OOOHVHBBKAXODN-CABCVRRESA-N 0 3 271.316 2.191 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000062211683 527393684 /nfs/dbraw/zinc/39/36/84/527393684.db2.gz AHDOBIWVGGYWSX-GXTWGEPZSA-N 0 3 264.756 2.493 10 0 CEAEHN N[C@H]1COc2cc(OCCOCC(F)(F)F)ccc21 ZINC000062803449 527417628 /nfs/dbraw/zinc/41/76/28/527417628.db2.gz ONFNBVCRXNRBGO-JTQLQIEISA-N 0 3 277.242 2.037 10 0 CEAEHN Cc1ncsc1CCOCc1occc1CN ZINC000052623458 527491459 /nfs/dbraw/zinc/49/14/59/527491459.db2.gz RKJIUYXTCRDHNS-UHFFFAOYSA-N 0 3 252.339 2.263 10 0 CEAEHN CCCc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000116782968 528615837 /nfs/dbraw/zinc/61/58/37/528615837.db2.gz FYGHQWAXMVPGJO-MRXNPFEDSA-N 0 3 290.407 2.042 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000262469653 535675334 /nfs/dbraw/zinc/67/53/34/535675334.db2.gz NLIQJYCLCPVWOX-YZIJFISFSA-N 0 3 296.436 2.071 10 0 CEAEHN COc1ccc(Br)cc1N1CCN[C@@H](C)C1 ZINC000083062837 536639777 /nfs/dbraw/zinc/63/97/77/536639777.db2.gz ZIQNECZBNMQMJY-VIFPVBQESA-N 0 3 285.185 2.256 10 0 CEAEHN COc1cccc(N2CCN(CC(C)(C)[C@H](C)O)CC2)c1 ZINC000091405735 537122896 /nfs/dbraw/zinc/12/28/96/537122896.db2.gz OXPFGSOEKIELRE-AWEZNQCLSA-N 0 3 292.423 2.224 10 0 CEAEHN CC1(C)CN[C@@]2(CCCSC2)O[C@]12CCCOC2 ZINC000757147215 574510479 /nfs/dbraw/zinc/51/04/79/574510479.db2.gz SBIHPUJWQGFMDH-KBPBESRZSA-N 0 3 271.426 2.405 10 0 CEAEHN NCc1ccc(-c2ccc(C(F)(F)F)nc2)nn1 ZINC000757570408 574514182 /nfs/dbraw/zinc/51/41/82/574514182.db2.gz FVUFJGHYXALFPV-UHFFFAOYSA-N 0 3 254.215 2.016 10 0 CEAEHN CC(C)(C)OC(=O)N[C@H](CN)c1ccc2c(c1)CCO2 ZINC000037362328 570248372 /nfs/dbraw/zinc/24/83/72/570248372.db2.gz DDJIZZDNKQZUEE-GFCCVEGCSA-N 0 3 278.352 2.146 10 0 CEAEHN CCOCCN1CCN(C/C=C\Cl)C[C@H]1CC ZINC000255621990 625284864 /nfs/dbraw/zinc/28/48/64/625284864.db2.gz QNHKQSIBWQIHLH-CFHLNLSMSA-N 0 3 260.809 2.172 10 0 CEAEHN C[C@H]1CN(C[C@](C)(O)c2ccccc2)CC(C)(C)O1 ZINC000052097446 625662843 /nfs/dbraw/zinc/66/28/43/625662843.db2.gz ZBHQYEMYRHILBR-BBRMVZONSA-N 0 3 263.381 2.393 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 ZINC000236897475 628740450 /nfs/dbraw/zinc/74/04/50/628740450.db2.gz HPKMXZYOOLLPIK-IINYFYTJSA-N 0 3 291.395 2.009 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(Br)nc1 ZINC000226393170 628904105 /nfs/dbraw/zinc/90/41/05/628904105.db2.gz CLRHZVMYTXLQGU-GMSGAONNSA-N 0 3 286.173 2.156 10 0 CEAEHN C[C@H]1CCCC[C@H]1C[NH+]1CCC(N(C)CC(=O)[O-])CC1 ZINC000263520745 631457476 /nfs/dbraw/zinc/45/74/76/631457476.db2.gz QUBDPAKUGNIOAB-KBPBESRZSA-N 0 3 282.428 2.294 10 0 CEAEHN Cc1sc([C@@H]2N[C@H](C)CC[C@H]2C[NH3+])cc1C(=O)[O-] ZINC000757238178 631838714 /nfs/dbraw/zinc/83/87/14/631838714.db2.gz RNKSFGIKYZDPHW-VFWDIBGWSA-N 0 3 268.382 2.143 10 0 CEAEHN CC1(C)OC[C@H](CN[C@H]2CCOc3ccccc32)O1 ZINC000230203362 639745616 /nfs/dbraw/zinc/74/56/16/639745616.db2.gz KYJUIPSUEYWKAO-AAEUAGOBSA-N 0 3 263.337 2.251 10 0 CEAEHN CC(C)Cc1nnc(NC(=O)[C@H]2C[C@@H](C)CCN2)s1 ZINC000230295179 639753197 /nfs/dbraw/zinc/75/31/97/639753197.db2.gz MRQARUHBJLKYLJ-VHSXEESVSA-N 0 3 282.413 2.063 10 0 CEAEHN CCn1cc(CN[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)cn1 ZINC000096455599 230377270 /nfs/dbraw/zinc/37/72/70/230377270.db2.gz KCUYJEJYCWRULK-PJIJBLCYSA-N 0 3 283.441 2.072 10 0 CEAEHN Cc1nc2ccccc2nc1N1C[C@H](C)NC[C@@H]1C ZINC000086470984 282089361 /nfs/dbraw/zinc/08/93/61/282089361.db2.gz YKEPOXYLMRNLLR-QWRGUYRKSA-N 0 3 256.353 2.125 10 0 CEAEHN CC[C@@H](CC(N)=S)N(C)Cc1scnc1C ZINC000082633066 178141478 /nfs/dbraw/zinc/14/14/78/178141478.db2.gz JMTGJJOLLFYHMO-VIFPVBQESA-N 0 3 257.428 2.338 10 0 CEAEHN CNC(=O)[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000124805737 187154832 /nfs/dbraw/zinc/15/48/32/187154832.db2.gz QAVIBZNZZLAPGS-CQSZACIVSA-N 0 3 283.375 2.193 10 0 CEAEHN CCC1(CN2CC[C@H](C)[S@@](=O)CC2)CCOCC1 ZINC000336581557 365674068 /nfs/dbraw/zinc/67/40/68/365674068.db2.gz DWUZNWBJTFNSEJ-UGSOOPFHSA-N 0 3 273.442 2.036 10 0 CEAEHN Cc1ccc(C(=O)CCN2C[C@H](C)[C@H](N(C)C)C2)cc1 ZINC000125180898 187173392 /nfs/dbraw/zinc/17/33/92/187173392.db2.gz UNUOPIPOHVQPNN-GOEBONIOSA-N 0 3 274.408 2.450 10 0 CEAEHN C[C@H]1CO[C@@H](c2ccccc2Br)CN1 ZINC000036673409 361850058 /nfs/dbraw/zinc/85/00/58/361850058.db2.gz HIMIAVYXAVUXDB-GZMMTYOYSA-N 0 3 256.143 2.499 10 0 CEAEHN CN1CC[C@@]2(C1)C[C@@H](O)c1cc(Br)ccc1O2 ZINC000097004736 185150688 /nfs/dbraw/zinc/15/06/88/185150688.db2.gz CYXSQJHHFFYTMC-YPMHNXCESA-N 0 3 298.180 2.339 10 0 CEAEHN Cc1c(CNC[C@@H]2CCC3(CCCC3)O2)cnn1C ZINC000226384079 539167543 /nfs/dbraw/zinc/16/75/43/539167543.db2.gz RQWVYKDQAACXMN-AWEZNQCLSA-N 0 3 263.385 2.310 10 0 CEAEHN Cc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc(Cl)n1 ZINC000125838562 187201869 /nfs/dbraw/zinc/20/18/69/187201869.db2.gz DJWANJLGOPHLQH-AAEUAGOBSA-N 0 3 293.798 2.352 10 0 CEAEHN Cc1c2cc(Br)ccc2nc(N)c1CN ZINC000725243897 539190881 /nfs/dbraw/zinc/19/08/81/539190881.db2.gz CLZAVOLNDCXMBK-UHFFFAOYSA-N 0 3 266.142 2.347 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H](C)COC ZINC000094434328 539195364 /nfs/dbraw/zinc/19/53/64/539195364.db2.gz RSGVMGKRZWMWHP-RBSFLKMASA-N 0 3 254.418 2.218 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCCCCC2)[C@@H](C)C1 ZINC000131706534 539263474 /nfs/dbraw/zinc/26/34/74/539263474.db2.gz MFSJIWFLXPYOSE-KBPBESRZSA-N 0 3 267.417 2.301 10 0 CEAEHN COc1cc(CN2C[C@H]3CCCCN3C[C@@H]2C)sn1 ZINC000399076675 539263615 /nfs/dbraw/zinc/26/36/15/539263615.db2.gz VBONQKMMJDAPAH-NWDGAFQWSA-N 0 3 281.425 2.210 10 0 CEAEHN CN(C)C[C@@H](NC(=O)CCc1ccncc1)c1ccccc1 ZINC000044958144 362157128 /nfs/dbraw/zinc/15/71/28/362157128.db2.gz SCOUGXGOFURQAH-QGZVFWFLSA-N 0 3 297.402 2.433 10 0 CEAEHN Cc1ccc([C@H](C)NCC2(O)CCSCC2)o1 ZINC000675892450 539306637 /nfs/dbraw/zinc/30/66/37/539306637.db2.gz AMFMBBLBXFWAKJ-NSHDSACASA-N 0 3 255.383 2.497 10 0 CEAEHN COC[C@H](N[C@@H](C)[C@@H](CO)SC)c1ccccc1 ZINC000228306380 536877774 /nfs/dbraw/zinc/87/77/74/536877774.db2.gz HSRRKLJVSWMOIU-FPMFFAJLSA-N 0 3 269.410 2.076 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCOCC1)c1ccccc1Cl ZINC000127870629 187338283 /nfs/dbraw/zinc/33/82/83/187338283.db2.gz SBPRUGCLVIHJEV-JTQLQIEISA-N 0 3 282.771 2.025 10 0 CEAEHN O=C(NCCNC[C@@H](O)c1ccccc1)Nc1ccccc1 ZINC000040640915 343437906 /nfs/dbraw/zinc/43/79/06/343437906.db2.gz NDOIJOBFLZAZEY-MRXNPFEDSA-N 0 3 299.374 2.131 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CSCC(F)(F)F ZINC000128027039 365772725 /nfs/dbraw/zinc/77/27/25/365772725.db2.gz NYIGAJOSOXVPTE-SNVBAGLBSA-N 0 3 298.374 2.225 10 0 CEAEHN CCOC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](C)CCN2)c1 ZINC000126972569 187273836 /nfs/dbraw/zinc/27/38/36/187273836.db2.gz KERKZXYEWOVCHW-SMDDNHRTSA-N 0 3 290.363 2.190 10 0 CEAEHN CC(C)(C)n1cc(CN2CCC[C@@H]2CCCO)cn1 ZINC000092785427 344203936 /nfs/dbraw/zinc/20/39/36/344203936.db2.gz NWYFGGLRJYDFRU-CQSZACIVSA-N 0 3 265.401 2.375 10 0 CEAEHN COc1cc2c(cc1CNC[C@@H]1CCC[C@@H]1O)O[C@H](C)C2 ZINC000097604814 344245972 /nfs/dbraw/zinc/24/59/72/344245972.db2.gz WLJQSDCFEJOEEE-XUJVJEKNSA-N 0 3 291.391 2.269 10 0 CEAEHN COC(=O)c1cc2ccccc2cc1N1CCNCC1 ZINC000118173524 344290914 /nfs/dbraw/zinc/29/09/14/344290914.db2.gz FZZKHDJYOOBWOI-UHFFFAOYSA-N 0 3 270.332 2.036 10 0 CEAEHN CCCC(=O)Nc1cccc(CNC(=O)[C@H](N)CCC)c1 ZINC000153751140 344430275 /nfs/dbraw/zinc/43/02/75/344430275.db2.gz ZKCQDOMHRFSXGR-CQSZACIVSA-N 0 3 291.395 2.169 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000139250806 344392880 /nfs/dbraw/zinc/39/28/80/344392880.db2.gz YVJJOSMNCHTZEB-GDBMZVCRSA-N 0 3 287.407 2.457 10 0 CEAEHN N[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000146293243 344410207 /nfs/dbraw/zinc/41/02/07/344410207.db2.gz IHKXUUPBTZFRKU-JTQLQIEISA-N 0 3 257.124 2.285 10 0 CEAEHN CSc1ccc(C)c(C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170868073 344491661 /nfs/dbraw/zinc/49/16/61/344491661.db2.gz ISRADXURIXEPGW-LBPRGKRZSA-N 0 3 278.421 2.493 10 0 CEAEHN CCCCOC[C@H](O)CNCc1ccc(F)cc1F ZINC000227891812 344557669 /nfs/dbraw/zinc/55/76/69/344557669.db2.gz YMNDCCOZYDSWRC-CYBMUJFWSA-N 0 3 273.323 2.232 10 0 CEAEHN NC[C@@H](O)c1cc(Br)c(Cl)s1 ZINC000227972289 344558230 /nfs/dbraw/zinc/55/82/30/344558230.db2.gz ZITMQOUUYWSRQR-SCSAIBSYSA-N 0 3 256.552 2.156 10 0 CEAEHN Cc1ccc(CNC[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000234322639 344583896 /nfs/dbraw/zinc/58/38/96/344583896.db2.gz DETJTQTUCMVVJF-CYBMUJFWSA-N 0 3 268.788 2.069 10 0 CEAEHN N[C@@H](CCO)c1cccc(Br)c1Cl ZINC000238561865 344606484 /nfs/dbraw/zinc/60/64/84/344606484.db2.gz VHUQVFBBIBCDER-QMMMGPOBSA-N 0 3 264.550 2.485 10 0 CEAEHN NCc1cc(OC(F)(F)F)cc(Br)n1 ZINC000238675047 344607629 /nfs/dbraw/zinc/60/76/29/344607629.db2.gz RCXUDKMSHLLKSA-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN C[C@@H](CCN1CCCNC(=O)[C@@H]1C)c1ccccc1 ZINC000248884387 344626354 /nfs/dbraw/zinc/62/63/54/344626354.db2.gz LQCHMSWTBXLYIM-KBPBESRZSA-N 0 3 260.381 2.391 10 0 CEAEHN Cc1c(N)ncnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000307024360 344719510 /nfs/dbraw/zinc/71/95/10/344719510.db2.gz IMOJNQLFCJVQFJ-CQSZACIVSA-N 0 3 283.379 2.054 10 0 CEAEHN Cc1cc(CN[C@@H]2C[C@H]2CO)ccc1Br ZINC000309206173 344729018 /nfs/dbraw/zinc/72/90/18/344729018.db2.gz SCKXZUXEDLJNCU-CMPLNLGQSA-N 0 3 270.170 2.228 10 0 CEAEHN Cc1csc(CNC[C@]2(O)CCC[C@@H](C)C2)n1 ZINC000083704877 178707320 /nfs/dbraw/zinc/70/73/20/178707320.db2.gz ALJDMRWZDZDZTL-MFKMUULPSA-N 0 3 254.399 2.482 10 0 CEAEHN C[C@@H](O)[C@]1(C)COC(C)(C)CN1Cc1ccccc1 ZINC000584645731 344972542 /nfs/dbraw/zinc/97/25/42/344972542.db2.gz CMORFXOTVLUKQA-CJNGLKHVSA-N 0 3 263.381 2.437 10 0 CEAEHN C[C@@H](O)[C@@]1(C)COC(C)(C)CN1Cc1ccccc1 ZINC000584645732 344972632 /nfs/dbraw/zinc/97/26/32/344972632.db2.gz CMORFXOTVLUKQA-CZUORRHYSA-N 0 3 263.381 2.437 10 0 CEAEHN CCCO[C@@H](COC)CN1CCN(c2ccccc2)CC1 ZINC000584652199 344973445 /nfs/dbraw/zinc/97/34/45/344973445.db2.gz ORFLVMDCVWLIDQ-QGZVFWFLSA-N 0 3 292.423 2.250 10 0 CEAEHN CCOc1ccc(OCC)c(NC(=O)[C@@H](C)NC)c1 ZINC000054071570 362508493 /nfs/dbraw/zinc/50/84/93/362508493.db2.gz BSOPENQXSMKDOY-SNVBAGLBSA-N 0 3 266.341 2.030 10 0 CEAEHN CN[C@H](C)C(=O)N(C)Cc1ccccc1Br ZINC000054074696 362509177 /nfs/dbraw/zinc/50/91/77/362509177.db2.gz GKHKXGAFWNTSLG-SECBINFHSA-N 0 3 285.185 2.015 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCCCCC2)C1 ZINC000057870588 362597793 /nfs/dbraw/zinc/59/77/93/362597793.db2.gz PEJBPIDMJXRFFT-CYBMUJFWSA-N 0 3 253.390 2.056 10 0 CEAEHN CCCN[C@H](Cc1cc(C)nn1C)c1cc(C)nn1C ZINC000097273461 185576077 /nfs/dbraw/zinc/57/60/77/185576077.db2.gz BORUNGGEHBMZPG-CQSZACIVSA-N 0 3 275.400 2.054 10 0 CEAEHN CN[C@@H](Cc1nc2ccccc2n1C)c1cc(C)nn1C ZINC000097303479 185581585 /nfs/dbraw/zinc/58/15/85/185581585.db2.gz LOITYGKEPWJWNE-ZDUSSCGKSA-N 0 3 283.379 2.118 10 0 CEAEHN C[C@@](CN)(CCO)c1ccc(Br)s1 ZINC000085118576 178951436 /nfs/dbraw/zinc/95/14/36/178951436.db2.gz NAPNFAHSVIXMEG-VIFPVBQESA-N 0 3 264.188 2.109 10 0 CEAEHN CN[C@@](CO)(CSc1nnc(C)s1)c1ccccc1 ZINC000085297085 179008277 /nfs/dbraw/zinc/00/82/77/179008277.db2.gz VBISQZSEDPZERY-ZDUSSCGKSA-N 0 3 295.433 2.046 10 0 CEAEHN CC[C@@H]1CN[C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085505230 179084949 /nfs/dbraw/zinc/08/49/49/179084949.db2.gz XNIYCOAWKJYXFR-CVEARBPZSA-N 0 3 282.391 2.402 10 0 CEAEHN Cc1ccc(F)c(OC[C@@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000085560122 179093987 /nfs/dbraw/zinc/09/39/87/179093987.db2.gz GNUXRYKXMUFLHW-INIZCTEOSA-N 0 3 294.370 2.145 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000236914297 370653066 /nfs/dbraw/zinc/65/30/66/370653066.db2.gz GXXBXBIZKUXPJM-YNEHKIRRSA-N 0 3 270.417 2.214 10 0 CEAEHN COC(=O)c1ccccc1CNC[C@H]1CCCC[C@H]1O ZINC000085977782 179208519 /nfs/dbraw/zinc/20/85/19/179208519.db2.gz XLPXFQIIALMVGH-UKRRQHHQSA-N 0 3 277.364 2.114 10 0 CEAEHN CCN[C@H](CCO)C[S@@](=O)c1ccc(C(C)C)cc1 ZINC000085927170 179202161 /nfs/dbraw/zinc/20/21/61/179202161.db2.gz ZARIFTNJWRFWLM-KUHUBIRLSA-N 0 3 283.437 2.278 10 0 CEAEHN C[C@@H]1CN(Cc2nc(NN)ccc2Cl)C[C@H]1C ZINC000086012118 179214571 /nfs/dbraw/zinc/21/45/71/179214571.db2.gz OFHQANUGDCXTFJ-RKDXNWHRSA-N 0 3 254.765 2.108 10 0 CEAEHN Cc1cc(C)c(C)c([C@@H](N)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000086019948 179217986 /nfs/dbraw/zinc/21/79/86/179217986.db2.gz QSJLASFSZAKFBG-HIFRSBDPSA-N 0 3 281.421 2.355 10 0 CEAEHN CCCN[C@@H](c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000086022326 179219117 /nfs/dbraw/zinc/21/91/17/179219117.db2.gz PRMUKPRDYAUJKC-DGCLKSJQSA-N 0 3 271.382 2.063 10 0 CEAEHN c1nc(CN2CCN[C@@H](c3ccccc3)C2)cs1 ZINC000086149442 179240524 /nfs/dbraw/zinc/24/05/24/179240524.db2.gz QCMIRXNTOOPSAV-CQSZACIVSA-N 0 3 259.378 2.290 10 0 CEAEHN CC(C)n1cc(N2CCN[C@@H](Cc3ccccc3)C2)cn1 ZINC000086148296 179239752 /nfs/dbraw/zinc/23/97/52/179239752.db2.gz CZVJYERXVPHMBT-INIZCTEOSA-N 0 3 284.407 2.485 10 0 CEAEHN CCCN1CCO[C@H](CN)[C@@H]1c1ccc2ccccc2n1 ZINC000086317395 179270133 /nfs/dbraw/zinc/27/01/33/179270133.db2.gz XCTRIMXTUYHFCA-SJORKVTESA-N 0 3 285.391 2.345 10 0 CEAEHN CN[C@@H]1CCCc2sc(N(C)[C@@H]3CCCN(C)C3)nc21 ZINC000086443085 179293850 /nfs/dbraw/zinc/29/38/50/179293850.db2.gz ZEPFILAZKXIPHG-VXGBXAGGSA-N 0 3 294.468 2.270 10 0 CEAEHN CN[C@H]1CCCc2sc(N(C)Cc3cnn(C)c3)nc21 ZINC000086443780 179293969 /nfs/dbraw/zinc/29/39/69/179293969.db2.gz OLHFBHSPMAYOEG-NSHDSACASA-N 0 3 291.424 2.110 10 0 CEAEHN CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3NC)CCN1C ZINC000086444161 179294091 /nfs/dbraw/zinc/29/40/91/179294091.db2.gz QAXWFWOZTWIBBS-RYUDHWBXSA-N 0 3 294.468 2.270 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(C)ccc2O)[C@H](CC)CN1 ZINC000086446326 179294684 /nfs/dbraw/zinc/29/46/84/179294684.db2.gz REXIUUBYSZLCQL-CHWSQXEVSA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@H]1CN(C(=O)Cc2ccc(F)cc2)[C@@H](CC)CN1 ZINC000086446311 179294810 /nfs/dbraw/zinc/29/48/10/179294810.db2.gz BBOBTGVMMXXEST-GJZGRUSLSA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccsc2)[C@@H](CC)CN1 ZINC000086446027 179294814 /nfs/dbraw/zinc/29/48/14/179294814.db2.gz PQKFTEPANLZBFS-NEPJUHHUSA-N 0 3 252.383 2.351 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2)[C@H](CC)CN1 ZINC000086446437 179295095 /nfs/dbraw/zinc/29/50/95/179295095.db2.gz HXNQXNPQMDEJSJ-ZIAGYGMSSA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccn2C2CC2)[C@H](CC)CN1 ZINC000086448003 179295520 /nfs/dbraw/zinc/29/55/20/179295520.db2.gz OYIONLMISIKOSZ-CHWSQXEVSA-N 0 3 275.396 2.426 10 0 CEAEHN CCC1(CC)CC(CNC2CC2)(S(C)(=O)=O)C1 ZINC000086521323 179306124 /nfs/dbraw/zinc/30/61/24/179306124.db2.gz KVVNGBNWCRCVQR-UHFFFAOYSA-N 0 3 259.415 2.122 10 0 CEAEHN CCC(CC)(CC)NS(=O)(=O)C[C@H]1CCCCN1 ZINC000086647087 179316709 /nfs/dbraw/zinc/31/67/09/179316709.db2.gz XNWFECYEHKDLDA-GFCCVEGCSA-N 0 3 276.446 2.017 10 0 CEAEHN Cc1ccc(CN[C@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000086670700 179317063 /nfs/dbraw/zinc/31/70/63/179317063.db2.gz HRDDXSZCZAOLHD-UONOGXRCSA-N 0 3 267.394 2.050 10 0 CEAEHN Cc1ccccc1C[C@H](C)N[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675030 179318381 /nfs/dbraw/zinc/31/83/81/179318381.db2.gz OAAYSWFDZGHUGB-BPUTZDHNSA-N 0 3 295.448 2.481 10 0 CEAEHN Cc1ccccc1CN[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086674775 179318414 /nfs/dbraw/zinc/31/84/14/179318414.db2.gz RSESOHLLAIQQFG-KGLIPLIRSA-N 0 3 267.394 2.050 10 0 CEAEHN CCN(C)C(=O)CCN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000130362185 365948334 /nfs/dbraw/zinc/94/83/34/365948334.db2.gz JQSVVSJRCDQGLM-AWEZNQCLSA-N 0 3 292.427 2.042 10 0 CEAEHN CCC(CC)CN1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776303 179328909 /nfs/dbraw/zinc/32/89/09/179328909.db2.gz LPKRHUMEWUPFGY-OAHLLOKOSA-N 0 3 282.428 2.436 10 0 CEAEHN CCC(CC)CN1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776303 179328912 /nfs/dbraw/zinc/32/89/12/179328912.db2.gz LPKRHUMEWUPFGY-OAHLLOKOSA-N 0 3 282.428 2.436 10 0 CEAEHN CC[C@@](C)(N)C(=O)NCc1cccc(Br)c1 ZINC000086804936 179338771 /nfs/dbraw/zinc/33/87/71/179338771.db2.gz BZNNGGWPZCMBDH-GFCCVEGCSA-N 0 3 285.185 2.193 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1cc(C)c(Br)cn1 ZINC000086808689 179340377 /nfs/dbraw/zinc/34/03/77/179340377.db2.gz JVSBBHDRTXTGDV-LLVKDONJSA-N 0 3 286.173 2.218 10 0 CEAEHN CCCN1CCC[C@](NCCOC)(c2nccs2)CC1 ZINC000086851710 179359737 /nfs/dbraw/zinc/35/97/37/179359737.db2.gz IDCLFRAUGJZHOG-OAHLLOKOSA-N 0 3 297.468 2.470 10 0 CEAEHN C1CN[C@H](c2nc([C@@H]3CSCCS3)no2)C1 ZINC000086981375 179373176 /nfs/dbraw/zinc/37/31/76/179373176.db2.gz OXYOHLROPKIGPG-YUMQZZPRSA-N 0 3 257.384 2.015 10 0 CEAEHN Clc1ncc(CN2CCN3CCC[C@@H]3C2)s1 ZINC000086887430 179366107 /nfs/dbraw/zinc/36/61/07/179366107.db2.gz PNONIFPDAMCVDW-SECBINFHSA-N 0 3 257.790 2.077 10 0 CEAEHN CCC[C@@H]1CCC[C@@](NCCN(C)C)(C(=O)OC)CC1 ZINC000086949893 179369021 /nfs/dbraw/zinc/36/90/21/179369021.db2.gz WFAOADSZRPTFJC-ZBFHGGJFSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@H](CCCOC)c1cc(Cl)cnc1N ZINC000086970206 179370532 /nfs/dbraw/zinc/37/05/32/179370532.db2.gz JPKQJGZTYLZGMH-LLVKDONJSA-N 0 3 257.765 2.394 10 0 CEAEHN CC[C@](C)(O)CN[C@@H]1CCOc2ccc(OC)cc21 ZINC000087012100 179379432 /nfs/dbraw/zinc/37/94/32/179379432.db2.gz KGOUWHBNFBXYMA-HIFRSBDPSA-N 0 3 265.353 2.269 10 0 CEAEHN COc1ccc2c(c1)[C@H](NCC1(O)CCCC1)CCO2 ZINC000087016064 179379750 /nfs/dbraw/zinc/37/97/50/179379750.db2.gz IRBRNNICRBNNCS-CQSZACIVSA-N 0 3 277.364 2.414 10 0 CEAEHN CCC(O)(CC)CN[C@@H](C)c1c(C)nn(C)c1C ZINC000087014578 179379905 /nfs/dbraw/zinc/37/99/05/179379905.db2.gz NKHRYPOSPOGLMO-JTQLQIEISA-N 0 3 253.390 2.239 10 0 CEAEHN COc1ccc([C@@H]2[C@H](N)CC(=O)N2CC(C)C)cc1F ZINC000086995280 179375917 /nfs/dbraw/zinc/37/59/17/179375917.db2.gz ARWQQVVLXGJVPO-IUODEOHRSA-N 0 3 280.343 2.091 10 0 CEAEHN CC[C@@]1(C)CNC[C@H](c2nc3ccccc3n2C)O1 ZINC000087006739 179378519 /nfs/dbraw/zinc/37/85/19/179378519.db2.gz JDDFFPVPCMYOEC-HIFRSBDPSA-N 0 3 259.353 2.403 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2ccc(OC)c(OC)c2)O1 ZINC000087090248 179394275 /nfs/dbraw/zinc/39/42/75/179394275.db2.gz WXRFZCDNLFVAEM-RISCZKNCSA-N 0 3 251.326 2.143 10 0 CEAEHN C[C@H]1CCC[C@@](O)(CNCC(=O)Nc2ccccc2F)C1 ZINC000087064780 179390256 /nfs/dbraw/zinc/39/02/56/179390256.db2.gz QOOSHCNMEWLPGD-LRDDRELGSA-N 0 3 294.370 2.295 10 0 CEAEHN CCC1CCC(O)(CNCC(=O)N2CCCCCC2)CC1 ZINC000087066216 179390575 /nfs/dbraw/zinc/39/05/75/179390575.db2.gz UWJPSVFZOSNVNG-UHFFFAOYSA-N 0 3 296.455 2.310 10 0 CEAEHN C[C@H](NCC1(O)CCCCCC1)C(=O)NC1CCCCC1 ZINC000087089560 179393382 /nfs/dbraw/zinc/39/33/82/179393382.db2.gz RVRBZDHQOWRZFF-AWEZNQCLSA-N 0 3 296.455 2.499 10 0 CEAEHN COc1cccc([C@H]2CNCC(C)(C)O2)c1OC ZINC000087090372 179394015 /nfs/dbraw/zinc/39/40/15/179394015.db2.gz SMKJLZRXZOLWCS-GFCCVEGCSA-N 0 3 251.326 2.143 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2cc(OC)c(OC)cc2OC)O1 ZINC000087090213 179394128 /nfs/dbraw/zinc/39/41/28/179394128.db2.gz ARUPHGAXQKWUSV-BONVTDFDSA-N 0 3 281.352 2.152 10 0 CEAEHN CNCc1cc(Br)ccc1O[C@@H](C)[C@H](C)O ZINC000087125415 179396296 /nfs/dbraw/zinc/39/62/96/179396296.db2.gz AGPZQBBECGAYRB-IUCAKERBSA-N 0 3 288.185 2.317 10 0 CEAEHN CCN1CCOC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616660460 348551654 /nfs/dbraw/zinc/55/16/54/348551654.db2.gz IOPPLWFRCPAWGT-AWEZNQCLSA-N 0 3 257.337 2.066 10 0 CEAEHN CC(C)N1CCCOC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616647367 348546131 /nfs/dbraw/zinc/54/61/31/348546131.db2.gz ZEUXUFHBNZJGOM-ZDUSSCGKSA-N 0 3 286.416 2.401 10 0 CEAEHN CC(C)N1CCCOC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616650178 348547965 /nfs/dbraw/zinc/54/79/65/348547965.db2.gz ZEUXUFHBNZJGOM-CYBMUJFWSA-N 0 3 286.416 2.401 10 0 CEAEHN CC(C)(C)N1CCCO[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616650094 348548037 /nfs/dbraw/zinc/54/80/37/348548037.db2.gz SUKYKEYHYGKHAG-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN CCOc1ccccc1[C@H](CN)NCC(F)(F)F ZINC000087929478 179524648 /nfs/dbraw/zinc/52/46/48/179524648.db2.gz SLXRGCNIPIAGBZ-JTQLQIEISA-N 0 3 262.275 2.237 10 0 CEAEHN CCOC(=O)c1cccc([C@H]2CCCCN2CCO)c1 ZINC000616613917 348534116 /nfs/dbraw/zinc/53/41/16/348534116.db2.gz DWGRAUYAJHPINS-OAHLLOKOSA-N 0 3 277.364 2.383 10 0 CEAEHN CCOC(=O)c1ccccc1[C@H]1CCCN(CCO)C1 ZINC000616618434 348535682 /nfs/dbraw/zinc/53/56/82/348535682.db2.gz VBQSUVUPFFTIKH-ZDUSSCGKSA-N 0 3 277.364 2.035 10 0 CEAEHN OCCN1CCC[C@H](c2cnc3ccccc3c2)C1 ZINC000616618529 348535784 /nfs/dbraw/zinc/53/57/84/348535784.db2.gz YRYZJLJIQWFYFV-AWEZNQCLSA-N 0 3 256.349 2.407 10 0 CEAEHN CCOC(=O)c1cccc(C2CCN(CCO)CC2)c1 ZINC000616619367 348536393 /nfs/dbraw/zinc/53/63/93/348536393.db2.gz IOWNEYORUHVTRO-UHFFFAOYSA-N 0 3 277.364 2.035 10 0 CEAEHN CC(C)N1CCOC[C@@H](c2cnnc3ccccc32)C1 ZINC000616661860 348552651 /nfs/dbraw/zinc/55/26/51/348552651.db2.gz ZKPRVIHRUWDGFG-ZDUSSCGKSA-N 0 3 271.364 2.454 10 0 CEAEHN CCOc1cc2c(cc1CNC[C@H](C)CO)O[C@H](C)C2 ZINC000088195700 179563868 /nfs/dbraw/zinc/56/38/68/179563868.db2.gz IJHNJWRCSRMMTL-NWDGAFQWSA-N 0 3 279.380 2.127 10 0 CEAEHN CCN(c1cccc2ccccc21)S(=O)(=O)[C@H](C)CN ZINC000088471826 179610217 /nfs/dbraw/zinc/61/02/17/179610217.db2.gz MFXJXGJRXUGULH-GFCCVEGCSA-N 0 3 292.404 2.343 10 0 CEAEHN CCCCCC[C@H](C)N1CCNC[C@@H]1C(=O)OCC ZINC000088658087 179648816 /nfs/dbraw/zinc/64/88/16/179648816.db2.gz YBLFHLQVOUYOOH-UONOGXRCSA-N 0 3 270.417 2.182 10 0 CEAEHN CC[C@H](C)CNS(=O)(=O)c1cc(CNC)c(C)cc1C ZINC000089026035 179692932 /nfs/dbraw/zinc/69/29/32/179692932.db2.gz UZIVYQVDOFQYIA-NSHDSACASA-N 0 3 298.452 2.347 10 0 CEAEHN Cc1noc(C)c1CNC[C@@H]1CCCC[C@@H]1CO ZINC000089505272 179806665 /nfs/dbraw/zinc/80/66/65/179806665.db2.gz IGZWRSZKDDYQAY-QWHCGFSZSA-N 0 3 252.358 2.180 10 0 CEAEHN COCCNCc1cncn1[C@H]1C[C@H]1c1ccccc1 ZINC000090241784 179939214 /nfs/dbraw/zinc/93/92/14/179939214.db2.gz SCYRZCLMPDWXKG-HOTGVXAUSA-N 0 3 271.364 2.348 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1csc(C(F)(F)F)c1 ZINC000623768396 350107841 /nfs/dbraw/zinc/10/78/41/350107841.db2.gz UZEPJWYYPBKCMU-BDAKNGLRSA-N 0 3 281.299 2.006 10 0 CEAEHN CCCn1c2cc(F)ccc2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571857 180007303 /nfs/dbraw/zinc/00/73/03/180007303.db2.gz ILEGBBBFMFTFAB-ZFWWWQNUSA-N 0 3 277.343 2.201 10 0 CEAEHN CC(C)n1c2cc(F)ccc2nc1[C@@]1(C)COC[C@H]1N ZINC000090571863 180007476 /nfs/dbraw/zinc/00/74/76/180007476.db2.gz WDIYZMDNAZXBJQ-HIFRSBDPSA-N 0 3 277.343 2.372 10 0 CEAEHN CCCn1c2cccc(F)c2nc1[C@@]1(C)COC[C@H]1N ZINC000090571791 180007972 /nfs/dbraw/zinc/00/79/72/180007972.db2.gz KQODIANIGUJUGY-DOMZBBRYSA-N 0 3 277.343 2.201 10 0 CEAEHN C[C@H](Oc1nc2c(cc1CN)CCC2)C(F)(F)F ZINC000090671286 180020843 /nfs/dbraw/zinc/02/08/43/180020843.db2.gz BAWWVXKFVCOITH-ZETCQYMHSA-N 0 3 260.259 2.359 10 0 CEAEHN C[C@@H](OC[C@H](N)c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000090672429 180021043 /nfs/dbraw/zinc/02/10/43/180021043.db2.gz PPDUFXGVSMPBBQ-SCZZXKLOSA-N 0 3 291.269 2.425 10 0 CEAEHN C[C@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1cccc(CN)c1 ZINC000090671956 180021120 /nfs/dbraw/zinc/02/11/20/180021120.db2.gz CNNUYODNEGPQOK-IUCAKERBSA-N 0 3 290.285 2.440 10 0 CEAEHN C[C@@H](OCC(=O)Nc1ccccc1CN)C(F)(F)F ZINC000090671975 180021128 /nfs/dbraw/zinc/02/11/28/180021128.db2.gz KUCDFLRIVGLKEH-MRVPVSSYSA-N 0 3 276.258 2.051 10 0 CEAEHN Nc1nsc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000090693112 180025212 /nfs/dbraw/zinc/02/52/12/180025212.db2.gz YEYGHQOBTAIPJC-LBPRGKRZSA-N 0 3 289.408 2.197 10 0 CEAEHN CC(C)(C)NC(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000090700917 180027799 /nfs/dbraw/zinc/02/77/99/180027799.db2.gz FCJKTGAILVCDLW-CYBMUJFWSA-N 0 3 299.484 2.398 10 0 CEAEHN CCOc1cc(NC[C@@H]2CCCCN2C)nc(C)n1 ZINC000090792264 180042791 /nfs/dbraw/zinc/04/27/91/180042791.db2.gz GIBFSKCVWKSIPA-LBPRGKRZSA-N 0 3 264.373 2.080 10 0 CEAEHN CC(=O)[C@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000090874989 180051150 /nfs/dbraw/zinc/05/11/50/180051150.db2.gz OOQXZBOPFMPTFW-GJZGRUSLSA-N 0 3 259.349 2.291 10 0 CEAEHN CCNCc1cn(C[C@@H]2Cc3ccccc3O2)nc1C ZINC000090877752 180051798 /nfs/dbraw/zinc/05/17/98/180051798.db2.gz WRWAZNVWMZFDQC-HNNXBMFYSA-N 0 3 271.364 2.305 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H]1CCCC[C@H]1O ZINC000090960596 180075564 /nfs/dbraw/zinc/07/55/64/180075564.db2.gz JNROMQMIYKCFHY-ZYHUDNBSSA-N 0 3 268.382 2.100 10 0 CEAEHN CC[C@@H](COC)NCc1sccc1NC(C)=O ZINC000090960771 180076184 /nfs/dbraw/zinc/07/61/84/180076184.db2.gz RTOLSHGOFMAXDG-JTQLQIEISA-N 0 3 256.371 2.221 10 0 CEAEHN Cn1ncc2c1CCC[C@H]2NCc1c[nH]c2ncccc12 ZINC000091016649 180087078 /nfs/dbraw/zinc/08/70/78/180087078.db2.gz JABAJKUBIZZTNN-CQSZACIVSA-N 0 3 281.363 2.464 10 0 CEAEHN CCc1noc(C)c1CN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412042380 233322227 /nfs/dbraw/zinc/32/22/27/233322227.db2.gz KGAWQJJIQGEHJD-AVGNSLFASA-N 0 3 264.369 2.138 10 0 CEAEHN CN[C@H](CSC[C@H](C)CO)c1ccc(OC)cc1 ZINC000091260829 180115984 /nfs/dbraw/zinc/11/59/84/180115984.db2.gz ZWOCZQMFLKOOHF-BXUZGUMPSA-N 0 3 269.410 2.317 10 0 CEAEHN CCN(Cc1ccncc1)[C@H](CN)c1cncn1C1CC1 ZINC000091276388 180119688 /nfs/dbraw/zinc/11/96/88/180119688.db2.gz LTOHROUFSZNIHM-OAHLLOKOSA-N 0 3 285.395 2.135 10 0 CEAEHN CCCCCN(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276237 180120489 /nfs/dbraw/zinc/12/04/89/180120489.db2.gz CIBNTJLMQYOKHO-ZDUSSCGKSA-N 0 3 250.390 2.340 10 0 CEAEHN CCNCc1cccc(OC)c1OCc1cncn1C ZINC000091278336 180121437 /nfs/dbraw/zinc/12/14/37/180121437.db2.gz QJBCIOUYGYBJQG-UHFFFAOYSA-N 0 3 275.352 2.117 10 0 CEAEHN CC(C)[C@@H](NC(=O)C[C@H]1CNCCO1)c1ccc(F)cc1 ZINC000091299871 180126626 /nfs/dbraw/zinc/12/66/26/180126626.db2.gz PQBIKTHZUMGLNK-GOEBONIOSA-N 0 3 294.370 2.018 10 0 CEAEHN CCNCc1cncc(Oc2cncc(Cl)c2)n1 ZINC000091435468 180154080 /nfs/dbraw/zinc/15/40/80/180154080.db2.gz IGJCCJXEQAITSX-UHFFFAOYSA-N 0 3 264.716 2.427 10 0 CEAEHN CC1(C)C(C(=O)N[C@H]2c3ccccc3C[C@@H]2N)C1(C)C ZINC000091494706 180171375 /nfs/dbraw/zinc/17/13/75/180171375.db2.gz KTNRRRKFWJUGFR-STQMWFEESA-N 0 3 272.392 2.410 10 0 CEAEHN CN(C)[C@H]1CCCN(CC(=O)c2c(F)cccc2F)C1 ZINC000091395574 180146318 /nfs/dbraw/zinc/14/63/18/180146318.db2.gz BBDZVJBNEYSZKF-NSHDSACASA-N 0 3 282.334 2.174 10 0 CEAEHN CN(C)[C@@H]1CCCN(CC(=O)c2ccc(F)cc2)C1 ZINC000091395305 180146437 /nfs/dbraw/zinc/14/64/37/180146437.db2.gz ISDHDWMBWIQPQY-CQSZACIVSA-N 0 3 264.344 2.034 10 0 CEAEHN CCCN(CC)c1cncc(CNCC(C)C)n1 ZINC000091419130 180150633 /nfs/dbraw/zinc/15/06/33/180150633.db2.gz ZHQJQFMUPFMNDF-UHFFFAOYSA-N 0 3 250.390 2.459 10 0 CEAEHN CC(C)CNCc1cncc(N(C)[C@@H]2CCSC2)n1 ZINC000091419190 180150649 /nfs/dbraw/zinc/15/06/49/180150649.db2.gz ZIHKOUUVOUJFMF-CYBMUJFWSA-N 0 3 280.441 2.164 10 0 CEAEHN CCCNCc1cncc(N(C)CC(C)(C)C)n1 ZINC000091420670 180150858 /nfs/dbraw/zinc/15/08/58/180150858.db2.gz QTFGPHHTWGQEDD-UHFFFAOYSA-N 0 3 250.390 2.459 10 0 CEAEHN Cc1nn(-c2cncc(CNC(C)C)n2)cc1Cl ZINC000091422580 180151224 /nfs/dbraw/zinc/15/12/24/180151224.db2.gz GBIKCOPBUNFDQZ-UHFFFAOYSA-N 0 3 265.748 2.122 10 0 CEAEHN Cc1ccc(Oc2cncc(CNC(C)C)n2)cn1 ZINC000091422647 180151448 /nfs/dbraw/zinc/15/14/48/180151448.db2.gz IOWMZRBHJIJOBO-UHFFFAOYSA-N 0 3 258.325 2.470 10 0 CEAEHN CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCOCC1 ZINC000091566617 180193936 /nfs/dbraw/zinc/19/39/36/180193936.db2.gz WJDGMRXUBARXHT-AWEZNQCLSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCn1nccc1[C@H](NCC)C(C)(C)N1CCOCC1 ZINC000091566868 180194699 /nfs/dbraw/zinc/19/46/99/180194699.db2.gz DCOCVJAXOGYVPI-HNNXBMFYSA-N 0 3 294.443 2.055 10 0 CEAEHN CCCC1CCC(N[C@H]2CC(=O)N(CC)C2=O)CC1 ZINC000105101773 186042623 /nfs/dbraw/zinc/04/26/23/186042623.db2.gz XELZQQALLZBQJG-BPCQOVAHSA-N 0 3 266.385 2.082 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cncc(F)c1)N1CCCC1 ZINC000091605628 180204286 /nfs/dbraw/zinc/20/42/86/180204286.db2.gz LHVJEPGXHIFTCA-KGLIPLIRSA-N 0 3 251.349 2.485 10 0 CEAEHN COc1ccc(OC)c([C@H](N)C(C)(C)N(C)C)c1 ZINC000091528522 180180489 /nfs/dbraw/zinc/18/04/89/180180489.db2.gz GMCZDYICNVOSDH-ZDUSSCGKSA-N 0 3 252.358 2.044 10 0 CEAEHN CCn1nc(C)c(N)c1NC[C@H](C)N1CCCCC1 ZINC000091554218 180189643 /nfs/dbraw/zinc/18/96/43/180189643.db2.gz DHQRPQZIWOXEGB-NSHDSACASA-N 0 3 265.405 2.080 10 0 CEAEHN Cc1cc(CC(=O)[C@]2(N(C)C)CCC[C@H](C)C2)n(C)n1 ZINC000091649659 180216163 /nfs/dbraw/zinc/21/61/63/180216163.db2.gz LMXBDPOMUPCLGY-LRDDRELGSA-N 0 3 277.412 2.351 10 0 CEAEHN CN[C@H](c1cncnc1)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652587 180216908 /nfs/dbraw/zinc/21/69/08/180216908.db2.gz URSSWVRGXGMWTA-BPLDGKMQSA-N 0 3 262.401 2.248 10 0 CEAEHN CCN[C@@H](C)c1sc([C@@H]2CN(C)CCO2)nc1C ZINC000091722422 180239479 /nfs/dbraw/zinc/23/94/79/180239479.db2.gz VEIGEHNJENXWKP-ONGXEEELSA-N 0 3 269.414 2.125 10 0 CEAEHN CCN[C@@H](c1ccc(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091718220 180233416 /nfs/dbraw/zinc/23/34/16/180233416.db2.gz WIANEBVHUXBCNG-CVEARBPZSA-N 0 3 262.397 2.285 10 0 CEAEHN CCN[C@H](c1cccc(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000091718567 180233452 /nfs/dbraw/zinc/23/34/52/180233452.db2.gz AAOHXSYTFPPCBU-UONOGXRCSA-N 0 3 268.788 2.321 10 0 CEAEHN CCN[C@@H](c1cc(C)cc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718230 180233551 /nfs/dbraw/zinc/23/35/51/180233551.db2.gz TZTXYGWAWPPCFZ-HOTGVXAUSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@@H](c1cc(C)ccc1OC)[C@H]1CN(C)CCO1 ZINC000091719508 180234295 /nfs/dbraw/zinc/23/42/95/180234295.db2.gz NBUNPKSOFOOPJV-SJORKVTESA-N 0 3 292.423 2.375 10 0 CEAEHN CN[C@H](c1cc(F)cc(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721235 180237412 /nfs/dbraw/zinc/23/74/12/180237412.db2.gz ZQQFQCODXXYBGQ-RBSFLKMASA-N 0 3 282.334 2.089 10 0 CEAEHN CCN[C@H](c1ccccc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721743 180238181 /nfs/dbraw/zinc/23/81/81/180238181.db2.gz UTMLNRPCTHNWPZ-BZUAXINKSA-N 0 3 260.381 2.200 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721581 180238500 /nfs/dbraw/zinc/23/85/00/180238500.db2.gz NASLAQINNQSJFB-UHOFOFEASA-N 0 3 296.361 2.479 10 0 CEAEHN OC[C@H]1CCCN1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091736022 180242985 /nfs/dbraw/zinc/24/29/85/180242985.db2.gz NGUYNGPWHQUDGP-ZIAGYGMSSA-N 0 3 294.782 2.290 10 0 CEAEHN Cc1noc(CCNCc2cc3ccccc3o2)n1 ZINC000105469842 186059428 /nfs/dbraw/zinc/05/94/28/186059428.db2.gz IDEORURKPTTXTC-UHFFFAOYSA-N 0 3 257.293 2.457 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@H]2C[C@H](OC)C2)c1C ZINC000624298702 350255038 /nfs/dbraw/zinc/25/50/38/350255038.db2.gz XSEFVGISAZOHBX-OASPWFOLSA-N 0 3 251.374 2.348 10 0 CEAEHN CN[C@H](C)c1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054426 180314005 /nfs/dbraw/zinc/31/40/05/180314005.db2.gz SEFSREZQGYWUGJ-DGCLKSJQSA-N 0 3 298.814 2.330 10 0 CEAEHN CCCCOC(=O)COc1ccc(C)nc1CNCC ZINC000091994820 180300910 /nfs/dbraw/zinc/30/09/10/180300910.db2.gz BFOUGAXCAOZLLK-UHFFFAOYSA-N 0 3 280.368 2.222 10 0 CEAEHN CCNCc1nc(C)ccc1OCc1ncnn1C(C)C ZINC000091994684 180301235 /nfs/dbraw/zinc/30/12/35/180301235.db2.gz UHGQNQBUKGQVDF-UHFFFAOYSA-N 0 3 289.383 2.251 10 0 CEAEHN CCC(CC)NC(=O)[C@@H](C)Oc1ccc(C)nc1CNC ZINC000091994396 180301479 /nfs/dbraw/zinc/30/14/79/180301479.db2.gz CCUXITOWCHGJNY-GFCCVEGCSA-N 0 3 293.411 2.182 10 0 CEAEHN CCNCc1nc(C)ccc1OC1CCOCC1 ZINC000091994628 180301493 /nfs/dbraw/zinc/30/14/93/180301493.db2.gz OPKDTGFDPZCPFC-UHFFFAOYSA-N 0 3 250.342 2.057 10 0 CEAEHN CC[C@H](O)COc1ccc(C)nc1CNC(C)(C)C ZINC000091996129 180302003 /nfs/dbraw/zinc/30/20/03/180302003.db2.gz CKOXBYIMFCDYDN-LBPRGKRZSA-N 0 3 266.385 2.428 10 0 CEAEHN CCOCCOc1ccc(C)nc1CNC(C)C ZINC000091995417 180302124 /nfs/dbraw/zinc/30/21/24/180302124.db2.gz ZSOSUQOMRPZOBX-UHFFFAOYSA-N 0 3 252.358 2.303 10 0 CEAEHN Cc1ccc(OCC(=O)NC(C)C)c(CNC(C)(C)C)n1 ZINC000091996243 180302409 /nfs/dbraw/zinc/30/24/09/180302409.db2.gz GWIGPWRYUGELHT-UHFFFAOYSA-N 0 3 293.411 2.182 10 0 CEAEHN CC[C@](C)(CO)NCc1cnc(C)n1-c1ccccc1 ZINC000092129127 180329740 /nfs/dbraw/zinc/32/97/40/180329740.db2.gz ZACPPJNZGYSQIU-MRXNPFEDSA-N 0 3 273.380 2.431 10 0 CEAEHN CNCc1c(N2C[C@@H](C)[C@H](C)C2)nc2ccccn21 ZINC000092086729 180320501 /nfs/dbraw/zinc/32/05/01/180320501.db2.gz RCFNSYWZGYLQAY-VXGBXAGGSA-N 0 3 258.369 2.146 10 0 CEAEHN CCCN[C@](C)(C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087749 180321289 /nfs/dbraw/zinc/32/12/89/180321289.db2.gz HGSLFOLVQFADHO-SFDCQRBFSA-N 0 3 270.417 2.196 10 0 CEAEHN CCCN[C@](C)(C[C@H](C)[N@H+]1C[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC000092087749 180321291 /nfs/dbraw/zinc/32/12/91/180321291.db2.gz HGSLFOLVQFADHO-SFDCQRBFSA-N 0 3 270.417 2.196 10 0 CEAEHN Cc1nccc(CNC[C@H]2COc3ccccc32)n1 ZINC000092299836 180358602 /nfs/dbraw/zinc/35/86/02/180358602.db2.gz WMOUFEJDLWMYBH-LBPRGKRZSA-N 0 3 255.321 2.051 10 0 CEAEHN Cc1noc(C)c1[C@H](C)NC[C@@H](O)COC(C)(C)C ZINC000092339409 180365220 /nfs/dbraw/zinc/36/52/20/180365220.db2.gz BFDCCPSEFHYXBA-JOYOIKCWSA-N 0 3 270.373 2.118 10 0 CEAEHN CCCNC(=O)[C@@H](CN)Cc1cc(C)nc2ccccc12 ZINC000092344563 180366589 /nfs/dbraw/zinc/36/65/89/180366589.db2.gz DYMBNULFPPGAFZ-CQSZACIVSA-N 0 3 285.391 2.187 10 0 CEAEHN CCCNc1cccc(CN2CCCN(C)CC2)n1 ZINC000092368183 180370350 /nfs/dbraw/zinc/37/03/50/180370350.db2.gz DJOJKCLOZDLUDH-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CC[C@H](O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000106384894 186111984 /nfs/dbraw/zinc/11/19/84/186111984.db2.gz HTPBKYGAEGXJAG-RYUDHWBXSA-N 0 3 254.399 2.402 10 0 CEAEHN CC(C)[C@H](CO)N[C@@H](C)c1nc2ccccc2n1C ZINC000092393176 180375937 /nfs/dbraw/zinc/37/59/37/180375937.db2.gz VNCUZPDYSOXRRH-AAEUAGOBSA-N 0 3 261.369 2.241 10 0 CEAEHN CNc1ccnc(Cn2ccc(C(F)(F)F)n2)c1 ZINC000092419742 180382596 /nfs/dbraw/zinc/38/25/96/180382596.db2.gz MYSCLTZWCWUXJX-UHFFFAOYSA-N 0 3 256.231 2.387 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cccc(N)c1 ZINC000092633765 180423346 /nfs/dbraw/zinc/42/33/46/180423346.db2.gz OZDYSFUWEYDGTL-AWEZNQCLSA-N 0 3 276.384 2.217 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)c1nc(Cl)nc(Cl)n1 ZINC000092665167 180426946 /nfs/dbraw/zinc/42/69/46/180426946.db2.gz PLZIWBRUSOVUOO-MRVPVSSYSA-N 0 3 290.198 2.099 10 0 CEAEHN CCCCCN1CCN([C@@H](CCC)C(N)=S)CC1 ZINC000109470313 186255399 /nfs/dbraw/zinc/25/53/99/186255399.db2.gz FGZMTOLHVHQILE-ZDUSSCGKSA-N 0 3 271.474 2.249 10 0 CEAEHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)cccc1[O-] ZINC000625969568 350616287 /nfs/dbraw/zinc/61/62/87/350616287.db2.gz KAHSVQQTNBJEFO-CYBMUJFWSA-N 0 3 276.380 2.257 10 0 CEAEHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)cccc1[O-] ZINC000625969568 350616289 /nfs/dbraw/zinc/61/62/89/350616289.db2.gz KAHSVQQTNBJEFO-CYBMUJFWSA-N 0 3 276.380 2.257 10 0 CEAEHN CCc1ccc(CN2CCN([C@@H](C)C(N)=S)CC2)cc1 ZINC000109468057 186253598 /nfs/dbraw/zinc/25/35/98/186253598.db2.gz BETHGYGGJHYWMW-ZDUSSCGKSA-N 0 3 291.464 2.041 10 0 CEAEHN C[C@H](C(N)=S)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000109468838 186254385 /nfs/dbraw/zinc/25/43/85/186254385.db2.gz GOUZQCNJKPMFSB-LLVKDONJSA-N 0 3 297.855 2.132 10 0 CEAEHN O[C@@H]1CCCc2nc(N3CC[C@@H](N4CCCC4)C3)sc21 ZINC000110271619 186289686 /nfs/dbraw/zinc/28/96/86/186289686.db2.gz QUYVWXGJEFGSSR-DGCLKSJQSA-N 0 3 293.436 2.187 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CC[C@@H]1CCCO1 ZINC000110629930 186307482 /nfs/dbraw/zinc/30/74/82/186307482.db2.gz DDEGSNDCOHUEGB-VIFPVBQESA-N 0 3 279.315 2.335 10 0 CEAEHN CN1CCC(Oc2cc(OC(F)F)c(F)cc2N)CC1 ZINC000110642866 186308689 /nfs/dbraw/zinc/30/86/89/186308689.db2.gz CUAPSGKYAZKAFC-UHFFFAOYSA-N 0 3 290.285 2.482 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OCC(=O)N(C)C ZINC000110960918 186337660 /nfs/dbraw/zinc/33/76/60/186337660.db2.gz AUXXITGYNYVONS-GFCCVEGCSA-N 0 3 264.369 2.133 10 0 CEAEHN COCCN([C@H](CN)c1ccc(C)c(F)c1)C1CC1 ZINC000110977492 186339110 /nfs/dbraw/zinc/33/91/10/186339110.db2.gz FKUXINIJHQKZOP-OAHLLOKOSA-N 0 3 266.360 2.245 10 0 CEAEHN CCNCc1c(C)nn(C)c1Oc1ccccc1CO ZINC000110994252 186340616 /nfs/dbraw/zinc/34/06/16/186340616.db2.gz AKMPJAUTLMTVIN-UHFFFAOYSA-N 0 3 275.352 2.123 10 0 CEAEHN Cc1ccc([C@@H](CN)N2CCN(C)C(C)(C)C2)s1 ZINC000110704946 186315131 /nfs/dbraw/zinc/31/51/31/186315131.db2.gz OBQQSZLSJGXMJY-GFCCVEGCSA-N 0 3 267.442 2.082 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc([C@@H]3C[C@@H]3C)o2)CCN1C ZINC000110710528 186315518 /nfs/dbraw/zinc/31/55/18/186315518.db2.gz MXTBPAZAFRIGEY-YJNKXOJESA-N 0 3 291.439 2.429 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@](C)(N)C1CC1 ZINC000110777788 186324419 /nfs/dbraw/zinc/32/44/19/186324419.db2.gz XBQSWNLPERODJT-CQSZACIVSA-N 0 3 296.392 2.299 10 0 CEAEHN Cc1nc(CN)sc1-c1nnc(C2CCCC2)[nH]1 ZINC000110791171 186324590 /nfs/dbraw/zinc/32/45/90/186324590.db2.gz LRUCNSJHCMFQPM-UHFFFAOYSA-N 0 3 263.370 2.353 10 0 CEAEHN Cc1nc(CN)sc1-c1nc(C2CCCC2)n[nH]1 ZINC000110791171 186324591 /nfs/dbraw/zinc/32/45/91/186324591.db2.gz LRUCNSJHCMFQPM-UHFFFAOYSA-N 0 3 263.370 2.353 10 0 CEAEHN CN(Cc1cccnc1)[C@H](CN)c1cccc(F)c1F ZINC000111039276 186346831 /nfs/dbraw/zinc/34/68/31/186346831.db2.gz DXWXHVGLVFAZJR-CQSZACIVSA-N 0 3 277.318 2.492 10 0 CEAEHN CN(C[C@@H]1CCCOC1)[C@@H](CN)c1c(F)cccc1F ZINC000111157974 186362283 /nfs/dbraw/zinc/36/22/83/186362283.db2.gz JTYOHPYEEAUDQC-FZMZJTMJSA-N 0 3 284.350 2.323 10 0 CEAEHN CN(C[C@@H]1CCCOC1)[C@@H](CN)c1cc(F)ccc1F ZINC000111158226 186363131 /nfs/dbraw/zinc/36/31/31/186363131.db2.gz OLCGRFYNKULWCF-NHYWBVRUSA-N 0 3 284.350 2.323 10 0 CEAEHN COC(CN[C@H](C)Cc1ccccc1Cl)OC ZINC000111112040 186354043 /nfs/dbraw/zinc/35/40/43/186354043.db2.gz YKEMFEDLBFOWHO-SNVBAGLBSA-N 0 3 257.761 2.480 10 0 CEAEHN CCOCCN(CC)C[C@H](N)c1ccc(OCC)cc1 ZINC000111118078 186355224 /nfs/dbraw/zinc/35/52/24/186355224.db2.gz AQTUJDBNXBGYFE-INIZCTEOSA-N 0 3 280.412 2.444 10 0 CEAEHN CCOCCN(CC)C[C@H]1NCCc2ccccc21 ZINC000111125467 186355781 /nfs/dbraw/zinc/35/57/81/186355781.db2.gz DZQLISRQCYTTHQ-MRXNPFEDSA-N 0 3 262.397 2.232 10 0 CEAEHN Cc1ccc(C(=O)[C@H](C)N(C)CCCN(C)C)cc1 ZINC000111139898 186358038 /nfs/dbraw/zinc/35/80/38/186358038.db2.gz UDALDEILEYNSBO-AWEZNQCLSA-N 0 3 262.397 2.450 10 0 CEAEHN CCOc1ccc([C@H](C)O)cc1CN(C)CCN(C)C ZINC000111143140 186358414 /nfs/dbraw/zinc/35/84/14/186358414.db2.gz ZGWBUDLSTJLKKG-ZDUSSCGKSA-N 0 3 280.412 2.132 10 0 CEAEHN CNCc1c(C)cc(C)nc1N(C)C[C@H]1CCCOC1 ZINC000111173852 186364602 /nfs/dbraw/zinc/36/46/02/186364602.db2.gz OPHBIGBIPFNUTJ-CQSZACIVSA-N 0 3 277.412 2.281 10 0 CEAEHN C[C@@H](N)c1cnc(N(C)CC2CCOCC2)s1 ZINC000111177162 186364800 /nfs/dbraw/zinc/36/48/00/186364800.db2.gz LKWWPBOIMZNTCP-SECBINFHSA-N 0 3 255.387 2.026 10 0 CEAEHN CN(CC1CCOCC1)c1nc2c(s1)[C@@H](N)CCC2 ZINC000111177184 186365185 /nfs/dbraw/zinc/36/51/85/186365185.db2.gz VUPMDYQXMUVGBT-NSHDSACASA-N 0 3 281.425 2.342 10 0 CEAEHN C[C@@H](CCNC(=O)c1ccc(CN)cn1)c1ccccc1 ZINC000111282417 186389436 /nfs/dbraw/zinc/38/94/36/186389436.db2.gz ANUYMIKKSBAGJP-ZDUSSCGKSA-N 0 3 283.375 2.464 10 0 CEAEHN COc1ccc(NC(=O)c2ccc(CN)cn2)c(C)c1 ZINC000111282392 186390052 /nfs/dbraw/zinc/39/00/52/186390052.db2.gz WPGXOTSHTMSYDS-UHFFFAOYSA-N 0 3 271.320 2.110 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1ccsc1C(F)(F)F ZINC000628468776 351109074 /nfs/dbraw/zinc/10/90/74/351109074.db2.gz YWPVQHXVHXBYLF-IUCAKERBSA-N 0 3 281.299 2.006 10 0 CEAEHN CCc1oc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1C ZINC000123047912 187068116 /nfs/dbraw/zinc/06/81/16/187068116.db2.gz ZGVXPZSFHMFXQV-STQMWFEESA-N 0 3 276.380 2.459 10 0 CEAEHN C[C@@H](NC[C@H](C)N1CCOCC1)c1cc(F)ccc1F ZINC000123258750 187080740 /nfs/dbraw/zinc/08/07/40/187080740.db2.gz MJVHUJKKLUABGD-NWDGAFQWSA-N 0 3 284.350 2.336 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1ccc(F)cc1F)N1CCOCC1 ZINC000123300715 187083928 /nfs/dbraw/zinc/08/39/28/187083928.db2.gz YBZIDMANNOFQOM-RYUDHWBXSA-N 0 3 284.350 2.336 10 0 CEAEHN CC[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000123416147 187090583 /nfs/dbraw/zinc/09/05/83/187090583.db2.gz CEBNYHYLEXWSDP-CABCVRRESA-N 0 3 278.371 2.482 10 0 CEAEHN CCC[C@@H](C(=O)N1CCS[C@H](CC)C1)N(C)C ZINC000123621556 187101225 /nfs/dbraw/zinc/10/12/25/187101225.db2.gz BQZQFSJQZZPWLH-NEPJUHHUSA-N 0 3 258.431 2.071 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000123614816 187101358 /nfs/dbraw/zinc/10/13/58/187101358.db2.gz CJVZZKCJMHLFPR-OAHLLOKOSA-N 0 3 287.407 2.056 10 0 CEAEHN Cc1ccncc1CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000123779396 187108575 /nfs/dbraw/zinc/10/85/75/187108575.db2.gz ZJZUQBPFQDKIOY-GOEBONIOSA-N 0 3 259.397 2.449 10 0 CEAEHN C[C@@H](COCc1ccccc1)NCc1ccc(=O)[nH]c1 ZINC000631083551 351955090 /nfs/dbraw/zinc/95/50/90/351955090.db2.gz IYMAMNAVCFPDCT-ZDUSSCGKSA-N 0 3 272.348 2.482 10 0 CEAEHN CCN1CCO[C@H](CN[C@H]2CCc3ccc(C)cc32)C1 ZINC000252743081 539897197 /nfs/dbraw/zinc/89/71/97/539897197.db2.gz OTOLCCLPWSIUSG-WBVHZDCISA-N 0 3 274.408 2.293 10 0 CEAEHN CCc1ccc(CCNC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000153477280 188084824 /nfs/dbraw/zinc/08/48/24/188084824.db2.gz JBTVOLMYQKSXIZ-MRXNPFEDSA-N 0 3 289.423 2.137 10 0 CEAEHN CCc1onc(C)c1NC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000154228576 188130073 /nfs/dbraw/zinc/13/00/73/188130073.db2.gz POEYACZNKMFCFM-CMPLNLGQSA-N 0 3 294.399 2.396 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccc(Cl)nc2)[C@@H](C)C1 ZINC000155410960 188205067 /nfs/dbraw/zinc/20/50/67/188205067.db2.gz UJEKJJNNCXVYDM-JQWIXIFHSA-N 0 3 281.787 2.194 10 0 CEAEHN COc1ccsc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155769801 188227243 /nfs/dbraw/zinc/22/72/43/188227243.db2.gz JZDLVUYMBJQINZ-QWRGUYRKSA-N 0 3 282.409 2.215 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CCO1 ZINC000156640075 188273567 /nfs/dbraw/zinc/27/35/67/188273567.db2.gz FHQSUZGIMBJHPL-LBPRGKRZSA-N 0 3 286.778 2.242 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000073722639 363243130 /nfs/dbraw/zinc/24/31/30/363243130.db2.gz INLCLGSZGQBJKH-MCIONIFRSA-N 0 3 281.444 2.260 10 0 CEAEHN Cc1csc([C@H]2CN(CCN3CCCCC3)CCO2)n1 ZINC000132254227 366129679 /nfs/dbraw/zinc/12/96/79/366129679.db2.gz KMQVYLIWMMZJNQ-CQSZACIVSA-N 0 3 295.452 2.311 10 0 CEAEHN CCCCN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000132597320 366157314 /nfs/dbraw/zinc/15/73/14/366157314.db2.gz IGZYJPYGZCUXCK-QWHCGFSZSA-N 0 3 255.406 2.157 10 0 CEAEHN CCOC(=O)CCCCN1CCC[C@@H]1c1cnn(C)c1 ZINC000132915772 366180700 /nfs/dbraw/zinc/18/07/00/366180700.db2.gz JEYOPDPQLBJWSX-CQSZACIVSA-N 0 3 279.384 2.290 10 0 CEAEHN Cc1nc2ccc(NC(=O)N3CC[C@H](N(C)C)C3)cc2o1 ZINC000171074874 188714228 /nfs/dbraw/zinc/71/42/28/188714228.db2.gz XFEHGLSHVDMFDB-LBPRGKRZSA-N 0 3 288.351 2.304 10 0 CEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)[C@H](CC)CO1 ZINC000403935026 540117944 /nfs/dbraw/zinc/11/79/44/540117944.db2.gz LTOHGVIMZWXQLI-KBUPBQIOSA-N 0 3 255.402 2.427 10 0 CEAEHN CCCN=[S@@](=O)(c1ccc(N)cc1)N(C)CC ZINC000675074592 540115631 /nfs/dbraw/zinc/11/56/31/540115631.db2.gz GHLOAUOWQFNWEP-KRWDZBQOSA-N 0 3 255.387 2.372 10 0 CEAEHN NCc1cn(-c2cc(Cl)ccc2Br)nn1 ZINC000088123534 540154455 /nfs/dbraw/zinc/15/44/55/540154455.db2.gz PYYNMYANFGLXLH-UHFFFAOYSA-N 0 3 287.548 2.142 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000133901790 366265865 /nfs/dbraw/zinc/26/58/65/366265865.db2.gz GBFBLMHFVCHORM-CYBMUJFWSA-N 0 3 290.342 2.386 10 0 CEAEHN COc1c(CNCCc2cccs2)c(C)nn1C ZINC000134099668 366287000 /nfs/dbraw/zinc/28/70/00/366287000.db2.gz IRBYBSQYFUEMAD-UHFFFAOYSA-N 0 3 265.382 2.131 10 0 CEAEHN C[C@@H]1OCC[C@]1(N)c1cscc1Br ZINC000575560941 366295738 /nfs/dbraw/zinc/29/57/38/366295738.db2.gz LYZKWNIZYMSDFR-IMTBSYHQSA-N 0 3 262.172 2.473 10 0 CEAEHN C[C@H]1C[C@@](N)(c2cscc2Br)CO1 ZINC000575566322 366295838 /nfs/dbraw/zinc/29/58/38/366295838.db2.gz UBRMBZIPDINDCE-RCOVLWMOSA-N 0 3 262.172 2.473 10 0 CEAEHN C[C@@H]1CN(C[C@](C)(O)c2ccccc2)CCS1 ZINC000134342284 366310907 /nfs/dbraw/zinc/31/09/07/366310907.db2.gz ZLIDZTBSRUIDDZ-OCCSQVGLSA-N 0 3 251.395 2.331 10 0 CEAEHN CCN1CCC[C@@H](Nc2nc3ccccc3n2C)C1 ZINC000079045187 363569624 /nfs/dbraw/zinc/56/96/24/363569624.db2.gz ZEFMSEFTHPILFP-GFCCVEGCSA-N 0 3 258.369 2.470 10 0 CEAEHN Cc1noc(C)c1CCN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000336284336 213122769 /nfs/dbraw/zinc/12/27/69/213122769.db2.gz GNKIGXBJZRNWBR-HOCLYGCPSA-N 0 3 278.396 2.461 10 0 CEAEHN CC(C)Cc1nn2c(nccc2CN)c1Br ZINC000232647834 542257409 /nfs/dbraw/zinc/25/74/09/542257409.db2.gz PLDPXXFIOYPRRX-UHFFFAOYSA-N 0 3 283.173 2.149 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000236955982 370665916 /nfs/dbraw/zinc/66/59/16/370665916.db2.gz IGJXVUMNKPEWFO-AWEZNQCLSA-N 0 3 289.379 2.269 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1occc1C ZINC000177006916 189019804 /nfs/dbraw/zinc/01/98/04/189019804.db2.gz CBVXRZWAGAKCFJ-GFCCVEGCSA-N 0 3 250.342 2.144 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCOc1ccccc1 ZINC000177035950 189022975 /nfs/dbraw/zinc/02/29/75/189022975.db2.gz VAZCMKVPWPBYSP-OAHLLOKOSA-N 0 3 290.407 2.398 10 0 CEAEHN C[C@H](NC(=O)[C@H](C)N(C)C[C@@H]1CCOC1)c1ccccc1 ZINC000178773883 189144853 /nfs/dbraw/zinc/14/48/53/189144853.db2.gz PFKVPDOACGAUGO-KKUMJFAQSA-N 0 3 290.407 2.221 10 0 CEAEHN CC(C)n1cc(CNCC2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000342174095 216245898 /nfs/dbraw/zinc/24/58/98/216245898.db2.gz UOXBPJJKSFYLFA-VXGBXAGGSA-N 0 3 266.389 2.152 10 0 CEAEHN COc1c(C)cc(C(=O)N2CC[C@H](N(C)C)C2)cc1C ZINC000179903968 189227365 /nfs/dbraw/zinc/22/73/65/189227365.db2.gz PRFLMMLRLBAERI-AWEZNQCLSA-N 0 3 276.380 2.088 10 0 CEAEHN Cc1cc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1F ZINC000180229439 189244968 /nfs/dbraw/zinc/24/49/68/189244968.db2.gz OQVHPADMKMPIRJ-WMLDXEAASA-N 0 3 292.398 2.287 10 0 CEAEHN Cc1cc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1F ZINC000180229458 189245148 /nfs/dbraw/zinc/24/51/48/189245148.db2.gz OQVHPADMKMPIRJ-RHSMWYFYSA-N 0 3 292.398 2.287 10 0 CEAEHN CCOc1ccc([C@H](C)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000180591185 189263832 /nfs/dbraw/zinc/26/38/32/189263832.db2.gz LRJGTYRYTANOPT-GXTWGEPZSA-N 0 3 286.379 2.342 10 0 CEAEHN Cc1cc(NCC[NH+](C)C)c2cccc(C(=O)[O-])c2n1 ZINC000004226590 361306525 /nfs/dbraw/zinc/30/65/25/361306525.db2.gz CDYGVWFHQYFMLR-UHFFFAOYSA-N 0 3 273.336 2.215 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1c(F)cccc1OC ZINC000236994235 370673388 /nfs/dbraw/zinc/67/33/88/370673388.db2.gz AYACSDOYWQOOGX-MWLCHTKSSA-N 0 3 268.332 2.139 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000155320604 366816047 /nfs/dbraw/zinc/81/60/47/366816047.db2.gz FUMUAKRFVMDBJN-YGRLFVJLSA-N 0 3 282.334 2.423 10 0 CEAEHN C[C@@H]1CNC[C@@H](c2cccc(Br)c2)O1 ZINC000032108961 361727116 /nfs/dbraw/zinc/72/71/16/361727116.db2.gz QBQFLRSLORLINS-KCJUWKMLSA-N 0 3 256.143 2.499 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nnsc1Cl ZINC000092628236 364089270 /nfs/dbraw/zinc/08/92/70/364089270.db2.gz ZUZHHBJJDDNJKN-SECBINFHSA-N 0 3 274.821 2.108 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)ccn1 ZINC000092627423 364089500 /nfs/dbraw/zinc/08/95/00/364089500.db2.gz QCXAAWSYBFBYAI-GFCCVEGCSA-N 0 3 281.787 2.291 10 0 CEAEHN CCCN1CCN(c2ccc(N)c(OCC)c2)CC1 ZINC000095943591 364394823 /nfs/dbraw/zinc/39/48/23/364394823.db2.gz XTOXVSMOKSTGPE-UHFFFAOYSA-N 0 3 263.385 2.200 10 0 CEAEHN Fc1cccc(CN[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000105802119 364702911 /nfs/dbraw/zinc/70/29/11/364702911.db2.gz AOXCKULDFAAURF-HNNXBMFYSA-N 0 3 286.354 2.374 10 0 CEAEHN COc1ccccc1OCCN1CCC[C@@H]1CCCO ZINC000112830349 364847765 /nfs/dbraw/zinc/84/77/65/364847765.db2.gz TXFTWNGQIDJGME-CQSZACIVSA-N 0 3 279.380 2.311 10 0 CEAEHN COc1ccc(F)cc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000113227688 364876967 /nfs/dbraw/zinc/87/69/67/364876967.db2.gz MTPUPPDFWUWQEP-DGCLKSJQSA-N 0 3 292.354 2.143 10 0 CEAEHN Cn1cc([C@@H]2CCN(CCOC(C)(C)C)C2)cn1 ZINC000116319052 365051821 /nfs/dbraw/zinc/05/18/21/365051821.db2.gz XLRDLXMEXZZKPV-GFCCVEGCSA-N 0 3 251.374 2.025 10 0 CEAEHN C[C@@H]1SCCN(C[C@@H](O)COCc2ccccc2)[C@H]1C ZINC000118534432 365163451 /nfs/dbraw/zinc/16/34/51/365163451.db2.gz VTROOSJAPURTND-OFQRWUPVSA-N 0 3 295.448 2.390 10 0 CEAEHN CCOCCN1CCN(CCSCC)C[C@H]1CC ZINC000119174704 365229500 /nfs/dbraw/zinc/22/95/00/365229500.db2.gz QEOVPAFTHFJQMZ-CQSZACIVSA-N 0 3 274.474 2.172 10 0 CEAEHN CC[C@H]1CN(Cc2cccs2)CCN1CCOC ZINC000120925877 365496682 /nfs/dbraw/zinc/49/66/82/365496682.db2.gz FMTKRXSEQBKNLP-ZDUSSCGKSA-N 0 3 268.426 2.291 10 0 CEAEHN CC1CC(C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000583317188 367030424 /nfs/dbraw/zinc/03/04/24/367030424.db2.gz XUXNJMBWPXXDFA-UHFFFAOYSA-N 0 3 260.337 2.153 10 0 CEAEHN CCC[C@H](N)C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000161953632 367124410 /nfs/dbraw/zinc/12/44/10/367124410.db2.gz FDXIPADSSJNTHL-GJZGRUSLSA-N 0 3 278.396 2.004 10 0 CEAEHN CCC[C@H](C(=O)Nc1cccc(CN(C)C)c1)N(C)C ZINC000161531138 367094076 /nfs/dbraw/zinc/09/40/76/367094076.db2.gz JBRRDAKKLOYXPR-OAHLLOKOSA-N 0 3 277.412 2.417 10 0 CEAEHN Cc1cc(F)ccc1CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245693294 370858557 /nfs/dbraw/zinc/85/85/57/370858557.db2.gz BTKXFLLTVWLNJN-KGLIPLIRSA-N 0 3 280.387 2.021 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)cc1F ZINC000170861237 367432240 /nfs/dbraw/zinc/43/22/40/367432240.db2.gz BDJRIFAOFFEYMM-CMPLNLGQSA-N 0 3 297.349 2.371 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cccc(OC(F)F)c2)C1 ZINC000170863582 367434789 /nfs/dbraw/zinc/43/47/89/367434789.db2.gz KOBMJZDQJRLJDB-NSHDSACASA-N 0 3 284.306 2.064 10 0 CEAEHN CCCOc1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170865721 367436717 /nfs/dbraw/zinc/43/67/17/367436717.db2.gz UILSRSTZZCLCPE-CQSZACIVSA-N 0 3 276.380 2.252 10 0 CEAEHN Cc1ccccc1CCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171541578 367561700 /nfs/dbraw/zinc/56/17/00/367561700.db2.gz FTSQOOXGQNDEQT-OAHLLOKOSA-N 0 3 260.381 2.090 10 0 CEAEHN CCSc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cn1 ZINC000171299789 367517016 /nfs/dbraw/zinc/51/70/16/367517016.db2.gz YGXCWCQOAZPDCW-ZDUSSCGKSA-N 0 3 291.420 2.114 10 0 CEAEHN C[Si](C)(C)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171746056 367608078 /nfs/dbraw/zinc/60/80/78/367608078.db2.gz SPJAYOXJOLQOOH-MRXNPFEDSA-N 0 3 292.499 2.215 10 0 CEAEHN O=C(Nc1ccc(Cl)nc1)N1CCN2CCC[C@@H]2C1 ZINC000171807367 367619294 /nfs/dbraw/zinc/61/92/94/367619294.db2.gz MZYQDSKEUSXASJ-LLVKDONJSA-N 0 3 280.759 2.047 10 0 CEAEHN O=C(Nc1cccnc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000171807667 367619803 /nfs/dbraw/zinc/61/98/03/367619803.db2.gz IZFUNTTUPKOIMC-SNVBAGLBSA-N 0 3 280.759 2.047 10 0 CEAEHN CCOc1cccc(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000171890942 367634012 /nfs/dbraw/zinc/63/40/12/367634012.db2.gz GLDAVIXMNNZLHP-AWEZNQCLSA-N 0 3 289.379 2.397 10 0 CEAEHN CN(Cc1cnc2ccccn12)C[C@H]1CCc2nccn2C1 ZINC000681914412 541608928 /nfs/dbraw/zinc/60/89/28/541608928.db2.gz FOANSENEVYJKIA-CQSZACIVSA-N 0 3 295.390 2.225 10 0 CEAEHN CC(C)n1cccc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000245728369 370865662 /nfs/dbraw/zinc/86/56/62/370865662.db2.gz XXIZFFCLADZRKF-KGLIPLIRSA-N 0 3 275.396 2.378 10 0 CEAEHN C[C@H](O)CN1CCN(C/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000245748743 370868097 /nfs/dbraw/zinc/86/80/97/370868097.db2.gz NJMJCYFPCCMBOQ-WCYDHSITSA-N 0 3 292.398 2.226 10 0 CEAEHN CS[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000172539018 367772311 /nfs/dbraw/zinc/77/23/11/367772311.db2.gz BMWCXTYUEFDKNG-UONOGXRCSA-N 0 3 278.421 2.253 10 0 CEAEHN C[C@H](NCC1C[C@@H](C)O[C@H](C)C1)c1nccn1C ZINC000343536136 367870226 /nfs/dbraw/zinc/87/02/26/367870226.db2.gz PMQDJKIRLBTGGS-UTUOFQBUSA-N 0 3 251.374 2.274 10 0 CEAEHN CCn1cc(C2CCN(CCC(=O)OC(C)C)CC2)cn1 ZINC000173604544 367926460 /nfs/dbraw/zinc/92/64/60/367926460.db2.gz QSAIVUKXEYHRGC-UHFFFAOYSA-N 0 3 293.411 2.424 10 0 CEAEHN Cn1cccc1[C@@H]1CCCN1C[C@@H](O)COC(C)(C)C ZINC000245985258 370897127 /nfs/dbraw/zinc/89/71/27/370897127.db2.gz ZNBMKQGEHRGBCE-HIFRSBDPSA-N 0 3 280.412 2.338 10 0 CEAEHN COc1ccc2oc(CN3C[C@@H](OC)C[C@H]3CO)cc2c1 ZINC000343954017 368089758 /nfs/dbraw/zinc/08/97/58/368089758.db2.gz LMWQYYRRPGVSNS-JSGCOSHPSA-N 0 3 291.347 2.023 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1occc1C ZINC000175038435 368092483 /nfs/dbraw/zinc/09/24/83/368092483.db2.gz HNBXGJWOZKREAQ-CHWSQXEVSA-N 0 3 262.353 2.287 10 0 CEAEHN CC(C)C[C@@H](C)OCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000176298058 368220864 /nfs/dbraw/zinc/22/08/64/368220864.db2.gz KIBWRQHODRBWHV-HUUCEWRRSA-N 0 3 282.428 2.134 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCSCC1 ZINC000177528778 368270169 /nfs/dbraw/zinc/27/01/69/368270169.db2.gz YBQMGNLRCDNWDQ-CYBMUJFWSA-N 0 3 285.457 2.008 10 0 CEAEHN CCc1oc(C(=O)N2CCN3CCC[C@@H]3C2)cc1C ZINC000177549432 368273655 /nfs/dbraw/zinc/27/36/55/368273655.db2.gz CLJUXVGWGLKVGL-GFCCVEGCSA-N 0 3 262.353 2.071 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1CC ZINC000177713186 368280047 /nfs/dbraw/zinc/28/00/47/368280047.db2.gz RDFXNFACPHIVDR-ZNMIVQPWSA-N 0 3 283.460 2.096 10 0 CEAEHN Cc1c(NC(=O)N2CC[C@H](N(C)C)C2)cccc1N(C)C ZINC000180192669 368372036 /nfs/dbraw/zinc/37/20/36/368372036.db2.gz YHZKZUDGNZJSSO-ZDUSSCGKSA-N 0 3 290.411 2.229 10 0 CEAEHN CC[C@H](CSC)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000181059725 368417970 /nfs/dbraw/zinc/41/79/70/368417970.db2.gz DJTKPYCFDDSJPF-CHWSQXEVSA-N 0 3 289.489 2.404 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(CCCCC(=O)OC(C)(C)C)C1 ZINC000181560230 368470936 /nfs/dbraw/zinc/47/09/36/368470936.db2.gz FOTXRAGMKRZTPY-CQSZACIVSA-N 0 3 298.427 2.099 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc(Cl)cn1)N(C)C ZINC000182144305 368529702 /nfs/dbraw/zinc/52/97/02/368529702.db2.gz OLDVLVYZSQLDDH-LBPRGKRZSA-N 0 3 269.776 2.082 10 0 CEAEHN CC[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccccc1 ZINC000183752070 368647807 /nfs/dbraw/zinc/64/78/07/368647807.db2.gz IYKCDHZMDXWBEW-MRXNPFEDSA-N 0 3 276.424 2.354 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246041592 370901919 /nfs/dbraw/zinc/90/19/19/370901919.db2.gz RYZRXIMMWUGEHG-UPJWGTAASA-N 0 3 294.345 2.279 10 0 CEAEHN CCc1ccnc(C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)c1 ZINC000246034203 370902602 /nfs/dbraw/zinc/90/26/02/370902602.db2.gz MMJSPKBFFLZLOO-CABCVRRESA-N 0 3 287.407 2.343 10 0 CEAEHN Cc1ccccc1OC[C@@H](O)CN1CCS[C@@H](C)C1 ZINC000246095887 370907963 /nfs/dbraw/zinc/90/79/63/370907963.db2.gz HGBMZJLKONLVFD-KBPBESRZSA-N 0 3 281.421 2.172 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2ccncc2)C12CCOCC2 ZINC000185662477 368838678 /nfs/dbraw/zinc/83/86/78/368838678.db2.gz CCXWXSXECSWMLD-GJZGRUSLSA-N 0 3 276.380 2.145 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2ccco2)C12CCOCC2 ZINC000186200423 368937338 /nfs/dbraw/zinc/93/73/38/368937338.db2.gz UEZRDTXPBXZEHY-UONOGXRCSA-N 0 3 265.353 2.343 10 0 CEAEHN COc1cc(C)c(NC(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000186719691 369027722 /nfs/dbraw/zinc/02/77/22/369027722.db2.gz WDFXFEVLGVTDIH-LLVKDONJSA-N 0 3 295.358 2.311 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(C)nc2C)CCN1CCOC ZINC000186971437 369078423 /nfs/dbraw/zinc/07/84/23/369078423.db2.gz ZETKLNRJDSXKFR-KRWDZBQOSA-N 0 3 291.439 2.241 10 0 CEAEHN CC[C@H](O)CN1CCN(CCCCc2ccccc2)CC1 ZINC000187089170 369099355 /nfs/dbraw/zinc/09/93/55/369099355.db2.gz OOCNPKRJDOEZNS-SFHVURJKSA-N 0 3 290.451 2.398 10 0 CEAEHN CCCc1cccc(CN[C@@H]2CCc3ncnn3C2)c1 ZINC000187218773 369123484 /nfs/dbraw/zinc/12/34/84/369123484.db2.gz CGYMMWOTOGICOK-OAHLLOKOSA-N 0 3 270.380 2.335 10 0 CEAEHN CN(CCN1CCC(C)(O)CC1)Cc1ccc(F)cc1 ZINC000187166706 369114431 /nfs/dbraw/zinc/11/44/31/369114431.db2.gz XLOGDPGBWCYOAR-UHFFFAOYSA-N 0 3 280.387 2.104 10 0 CEAEHN C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246563956 370977976 /nfs/dbraw/zinc/97/79/76/370977976.db2.gz UZYLOJKETRDKHL-ODEKCMFZSA-N 0 3 286.419 2.352 10 0 CEAEHN Cn1cccc1CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190289811 369611619 /nfs/dbraw/zinc/61/16/19/369611619.db2.gz UPKPGTKPPMDMTJ-ZFWWWQNUSA-N 0 3 276.405 2.295 10 0 CEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2cccn2C)C1 ZINC000190474532 369627593 /nfs/dbraw/zinc/62/75/93/369627593.db2.gz GFENJIPHSGCBTA-QGZVFWFLSA-N 0 3 298.434 2.374 10 0 CEAEHN Cc1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1Cl ZINC000193581427 369958774 /nfs/dbraw/zinc/95/87/74/369958774.db2.gz ASONIXYGTFMHFG-AWEZNQCLSA-N 0 3 282.815 2.411 10 0 CEAEHN Cc1c(Cl)cccc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000194650906 370062182 /nfs/dbraw/zinc/06/21/82/370062182.db2.gz VSOLQQLTQKJVKJ-LBPRGKRZSA-N 0 3 296.798 2.051 10 0 CEAEHN CCN[C@@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000637919768 370171745 /nfs/dbraw/zinc/17/17/45/370171745.db2.gz UEIYCZWEFJGADR-IUCAKERBSA-N 0 3 256.296 2.140 10 0 CEAEHN Cc1ccc(CN[C@H]2CCc3ncnn3C2)cc1Cl ZINC000195441887 370131296 /nfs/dbraw/zinc/13/12/96/370131296.db2.gz PNIJYUADVRZZOW-LBPRGKRZSA-N 0 3 276.771 2.345 10 0 CEAEHN C/C=C\CS(=O)(=O)C(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000209743109 370159803 /nfs/dbraw/zinc/15/98/03/370159803.db2.gz KXQKADSZEZVZJH-OEFFGFFESA-N 0 3 295.404 2.243 10 0 CEAEHN Cc1c(CNCC[C@@H](C)NC(=O)OC(C)(C)C)cnn1C ZINC000229809083 370431718 /nfs/dbraw/zinc/43/17/18/370431718.db2.gz RZWCKNWCVGQCEK-LLVKDONJSA-N 0 3 296.415 2.121 10 0 CEAEHN CC(C)n1cncc1CN[C@@H]1CCCC[C@H]1CO ZINC000231295787 370476991 /nfs/dbraw/zinc/47/69/91/370476991.db2.gz WXFIOEFXLWSHLY-GXTWGEPZSA-N 0 3 251.374 2.105 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2cc(O)ccc2Cl)C1 ZINC000233488386 370520600 /nfs/dbraw/zinc/52/06/00/370520600.db2.gz GXDFRJPZPOVNNO-SNVBAGLBSA-N 0 3 282.771 2.260 10 0 CEAEHN CN(C(=O)c1cscc1Cl)[C@@H](CN)C(F)(F)F ZINC000638435279 370528145 /nfs/dbraw/zinc/52/81/45/370528145.db2.gz ULUMPFHJYXVMHZ-ZETCQYMHSA-N 0 3 286.706 2.363 10 0 CEAEHN Cc1ccc(OCC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000247029602 371050733 /nfs/dbraw/zinc/05/07/33/371050733.db2.gz HRJDCIGONOMLNC-GDBMZVCRSA-N 0 3 290.407 2.219 10 0 CEAEHN CC(C)COC[C@@H](O)CN1CCC[C@H]1c1ccco1 ZINC000246862052 371021744 /nfs/dbraw/zinc/02/17/44/371021744.db2.gz DYZYWSQHQWBKDG-KBPBESRZSA-N 0 3 267.369 2.450 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC[C@H]1CCOC1=O ZINC000247059542 371058328 /nfs/dbraw/zinc/05/83/28/371058328.db2.gz VXANFTJLPQCODF-KBPBESRZSA-N 0 3 291.395 2.127 10 0 CEAEHN CC[C@@H]1CN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCS1 ZINC000247091493 371063196 /nfs/dbraw/zinc/06/31/96/371063196.db2.gz JMQKOCHOFGOOTO-MGPQQGTHSA-N 0 3 299.484 2.252 10 0 CEAEHN Cc1cccc([C@H](C)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000247706813 371138061 /nfs/dbraw/zinc/13/80/61/371138061.db2.gz ZDEXUDHZQRPTTP-HOCLYGCPSA-N 0 3 262.397 2.318 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000247527815 371121258 /nfs/dbraw/zinc/12/12/58/371121258.db2.gz XGJYALZZOPFZKE-DOMZBBRYSA-N 0 3 283.375 2.477 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ncc(F)cc1F ZINC000248655407 371231955 /nfs/dbraw/zinc/23/19/55/371231955.db2.gz DAFRCKVKEIYCJR-RYUDHWBXSA-N 0 3 295.333 2.059 10 0 CEAEHN Cc1cnn([C@H]2CCCN(CCO[C@H]3CCCCO3)C2)c1 ZINC000248759234 371243348 /nfs/dbraw/zinc/24/33/48/371243348.db2.gz JEAITAJENIRMGJ-HOTGVXAUSA-N 0 3 293.411 2.372 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1)[C@H]1CCCO1 ZINC000248857264 371257034 /nfs/dbraw/zinc/25/70/34/371257034.db2.gz PIIKNFXKZKBLSU-KNCOVGOOSA-N 0 3 290.407 2.409 10 0 CEAEHN FC(F)C(F)(F)COCCN1CCN2CCCC[C@@H]2C1 ZINC000249270836 371308071 /nfs/dbraw/zinc/30/80/71/371308071.db2.gz JDUUGYCMACFIOC-LLVKDONJSA-N 0 3 298.324 2.074 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000249748647 371359200 /nfs/dbraw/zinc/35/92/00/371359200.db2.gz BCJANSRFFQMSGO-CHWSQXEVSA-N 0 3 279.384 2.433 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000262592811 371880816 /nfs/dbraw/zinc/88/08/16/371880816.db2.gz VIHNFRRRZXWNLJ-SWHYSGLUSA-N 0 3 282.359 2.145 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccccc2Cl)CCCN1 ZINC000643615139 373221206 /nfs/dbraw/zinc/22/12/06/373221206.db2.gz WEFQMGZFYSPQCM-ZDUSSCGKSA-N 0 3 268.744 2.047 10 0 CEAEHN CCCCN(C(=O)[C@H]1CNCCOC1)c1ccccc1 ZINC000643618033 373222618 /nfs/dbraw/zinc/22/26/18/373222618.db2.gz ZJHLADARNHWDHR-AWEZNQCLSA-N 0 3 276.380 2.056 10 0 CEAEHN CCCCOC(=O)[C@@H](C)N1CCC[C@H]1Cn1ccnc1C ZINC000247168111 220218958 /nfs/dbraw/zinc/21/89/58/220218958.db2.gz VEBRNBJVTUDDGP-HIFRSBDPSA-N 0 3 293.411 2.388 10 0 CEAEHN C[C@H](NC(=O)C(N)C(F)(F)F)c1cc(F)ccc1F ZINC000645391551 374024553 /nfs/dbraw/zinc/02/45/53/374024553.db2.gz WBUOXVUAYNXUKK-CDUCUWFYSA-N 0 3 282.212 2.032 10 0 CEAEHN CCN1CC[C@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000389317167 375300409 /nfs/dbraw/zinc/30/04/09/375300409.db2.gz GUHWONGOUJVHDE-AWEZNQCLSA-N 0 3 280.799 2.459 10 0 CEAEHN CCN1CC[C@@H](NCc2cc(F)ccc2OC)C1 ZINC000389316995 375300671 /nfs/dbraw/zinc/30/06/71/375300671.db2.gz GSGZRQLTBSKMRR-CYBMUJFWSA-N 0 3 252.333 2.018 10 0 CEAEHN CC[C@@H](N[C@H]1CCN(CC)C1)c1ccc(F)cn1 ZINC000389240905 375301405 /nfs/dbraw/zinc/30/14/05/375301405.db2.gz KTGHOWVQPKFUBI-QWHCGFSZSA-N 0 3 251.349 2.356 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1ccc(F)cc1 ZINC000282208549 375429723 /nfs/dbraw/zinc/42/97/23/375429723.db2.gz DDMQESCONDHJRO-KWBADKCTSA-N 0 3 250.317 2.143 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cccc(Cl)c1 ZINC000282218176 375431798 /nfs/dbraw/zinc/43/17/98/375431798.db2.gz DUSASSQDOASMCL-JOYOIKCWSA-N 0 3 252.745 2.097 10 0 CEAEHN CCc1cc(CC)nc(N[C@@H]2CCCN(CC)C2)n1 ZINC000311343544 376664620 /nfs/dbraw/zinc/66/46/20/376664620.db2.gz LNOVBSCRBSURIN-CQSZACIVSA-N 0 3 262.401 2.498 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCc2cn(C)cn2)c1C ZINC000313249232 249389694 /nfs/dbraw/zinc/38/96/94/249389694.db2.gz DKELBWIWIJXBPA-NSHDSACASA-N 0 3 275.400 2.147 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000180941431 542267483 /nfs/dbraw/zinc/26/74/83/542267483.db2.gz AOPSZNHOYSQGBE-LBPRGKRZSA-N 0 3 293.415 2.244 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(Cc2cnc3ccccc3c2)C1 ZINC000334745547 207006450 /nfs/dbraw/zinc/00/64/50/207006450.db2.gz HXIYLHAUALQAMQ-IUODEOHRSA-N 0 3 256.349 2.438 10 0 CEAEHN COc1ccc(OC)c([C@H](C)N[C@H]2CN3CCC2CC3)c1 ZINC000019947124 184535081 /nfs/dbraw/zinc/53/50/81/184535081.db2.gz CKALOJWQIUKOFB-LRDDRELGSA-N 0 3 290.407 2.449 10 0 CEAEHN CCc1ccc(CN)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000088907455 184613725 /nfs/dbraw/zinc/61/37/25/184613725.db2.gz MEQPPZLUUIUPQG-LBPRGKRZSA-N 0 3 296.436 2.271 10 0 CEAEHN CCCN(CCC)S(=O)(=O)c1cc(CN)sc1C ZINC000088914906 184614315 /nfs/dbraw/zinc/61/43/15/184614315.db2.gz XIDQJJAPRSTBJK-UHFFFAOYSA-N 0 3 290.454 2.326 10 0 CEAEHN CCNCc1csc(S(=O)(=O)N(C)[C@@H](C)CC)c1 ZINC000088949033 184614870 /nfs/dbraw/zinc/61/48/70/184614870.db2.gz BYIXVTQCDPGZOD-JTQLQIEISA-N 0 3 290.454 2.277 10 0 CEAEHN CC/C(=C/c1ccc2c(c1)OCCO2)CNCCOC ZINC000092726784 184623805 /nfs/dbraw/zinc/62/38/05/184623805.db2.gz COEIPZZAZAIKTI-RAXLEYEMSA-N 0 3 277.364 2.487 10 0 CEAEHN CC(C)[C@@H](N)C(=O)N(C)[C@H](C)Cc1cccs1 ZINC000093271982 184660267 /nfs/dbraw/zinc/66/02/67/184660267.db2.gz KQLBIEAHAQWHGO-ZYHUDNBSSA-N 0 3 254.399 2.121 10 0 CEAEHN COC[C@@H](C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000103428396 285199717 /nfs/dbraw/zinc/19/97/17/285199717.db2.gz DEUVYHNGZTVMCP-CHWSQXEVSA-N 0 3 296.436 2.284 10 0 CEAEHN COC(=O)c1ccc(CNCC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000281421676 195233153 /nfs/dbraw/zinc/23/31/53/195233153.db2.gz YYDXJBGQOUWZMJ-QWRGUYRKSA-N 0 3 281.352 2.359 10 0 CEAEHN COc1ccc(C[C@H](C)NCC(C)(C)S(C)(=O)=O)cc1 ZINC000093523357 184687426 /nfs/dbraw/zinc/68/74/26/184687426.db2.gz LDSAOIBIZZJYSZ-LBPRGKRZSA-N 0 3 299.436 2.039 10 0 CEAEHN CCC1CC[NH+]([C@H]2CCC[C@@](NC)(C(=O)[O-])C2)CC1 ZINC000093752714 184713980 /nfs/dbraw/zinc/71/39/80/184713980.db2.gz HGDPCFLEWRJGPY-ZFWWWQNUSA-N 0 3 268.401 2.094 10 0 CEAEHN CCC1CCN([C@H]2CCC[C@@]([NH2+]C)(C(=O)[O-])C2)CC1 ZINC000093752714 184713981 /nfs/dbraw/zinc/71/39/81/184713981.db2.gz HGDPCFLEWRJGPY-ZFWWWQNUSA-N 0 3 268.401 2.094 10 0 CEAEHN CC[C@@](C)(N)C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000094234427 184767440 /nfs/dbraw/zinc/76/74/40/184767440.db2.gz RDJRBCREZFJYEP-LLVKDONJSA-N 0 3 278.274 2.298 10 0 CEAEHN OC1(C2CC2)CN([C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094411160 184794721 /nfs/dbraw/zinc/79/47/21/184794721.db2.gz PNXXZGZCXSVHEK-CQSZACIVSA-N 0 3 265.397 2.325 10 0 CEAEHN CCCn1nccc1[C@@H](NC)[C@H]1CSCCS1 ZINC000094499170 184810616 /nfs/dbraw/zinc/81/06/16/184810616.db2.gz RPGPLHLQPFXCRN-VXGBXAGGSA-N 0 3 271.455 2.402 10 0 CEAEHN CCCN[C@H](Cc1ncnn1C)c1ccc(Cl)cn1 ZINC000094844990 184878481 /nfs/dbraw/zinc/87/84/81/184878481.db2.gz TUECRMQCSLWPGN-GFCCVEGCSA-N 0 3 279.775 2.147 10 0 CEAEHN CCc1nc(CN[C@@H](C)c2cccc(-n3ccnc3)c2)n[nH]1 ZINC000189916098 130039151 /nfs/dbraw/zinc/03/91/51/130039151.db2.gz YBENLFFDSWTSHY-LBPRGKRZSA-N 0 3 296.378 2.404 10 0 CEAEHN Cc1cnn(CCNCc2ccc(N(C)C(C)C)nc2)c1 ZINC000190976204 130168370 /nfs/dbraw/zinc/16/83/70/130168370.db2.gz AHDIHYZXVBMXAJ-UHFFFAOYSA-N 0 3 287.411 2.221 10 0 CEAEHN C[C@H](c1ccccc1F)N1CCO[C@@H](CN(C)C)C1 ZINC000247003389 131099346 /nfs/dbraw/zinc/09/93/46/131099346.db2.gz BRBPWRZUHQZYBD-OLZOCXBDSA-N 0 3 266.360 2.149 10 0 CEAEHN CC(=O)c1c(F)cccc1N1C[C@H](C)[C@H](N(C)C)C1 ZINC000251854112 131131260 /nfs/dbraw/zinc/13/12/60/131131260.db2.gz RTYFPPHCCHRDDX-IINYFYTJSA-N 0 3 264.344 2.415 10 0 CEAEHN Cc1cc([C@@H](NC(=O)[C@@H](C)N)C2CC2)ccc1F ZINC000262694656 131251724 /nfs/dbraw/zinc/25/17/24/131251724.db2.gz CJOFIMVAWDSIQE-RNCFNFMXSA-N 0 3 250.317 2.049 10 0 CEAEHN Cc1nnc(N2CCC[C@@H]3CCC[C@@H]32)c(CN)c1C ZINC000087766655 135051503 /nfs/dbraw/zinc/05/15/03/135051503.db2.gz RALXXMFGKGEPAF-JSGCOSHPSA-N 0 3 260.385 2.321 10 0 CEAEHN C[C@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccco1 ZINC000089733165 135060591 /nfs/dbraw/zinc/06/05/91/135060591.db2.gz KYSIUIVHHLVCOI-QWHCGFSZSA-N 0 3 272.352 2.389 10 0 CEAEHN CNCc1cc2ccccc2nc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906778 135065774 /nfs/dbraw/zinc/06/57/74/135065774.db2.gz BYOKMYIYXMWUPW-GASCZTMLSA-N 0 3 283.375 2.322 10 0 CEAEHN CCNCc1c(C)cc(C)nc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907755 135066821 /nfs/dbraw/zinc/06/68/21/135066821.db2.gz MUJOBWVNIUGJTE-OKILXGFUSA-N 0 3 275.396 2.176 10 0 CEAEHN C[C@@H](O)C(C)(C)CN1CCN(c2ccc(F)cc2)CC1 ZINC000091405681 135069128 /nfs/dbraw/zinc/06/91/28/135069128.db2.gz GNNBVYRUEHEORF-CYBMUJFWSA-N 0 3 280.387 2.355 10 0 CEAEHN CNCc1cncc(N2CCC3(CCCC3)CC2)n1 ZINC000091421403 135069316 /nfs/dbraw/zinc/06/93/16/135069316.db2.gz OFQSBWXAIOJOME-UHFFFAOYSA-N 0 3 260.385 2.357 10 0 CEAEHN NCc1c(F)cccc1N1CCN(c2ccccn2)CC1 ZINC000093395190 135080265 /nfs/dbraw/zinc/08/02/65/135080265.db2.gz QEAXFMAQIRMMLB-UHFFFAOYSA-N 0 3 286.354 2.006 10 0 CEAEHN C[C@H](O)CN1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000246248983 394512450 /nfs/dbraw/zinc/51/24/50/394512450.db2.gz SJHZBMAITTVDSP-KBPBESRZSA-N 0 3 285.391 2.126 10 0 CEAEHN C[C@H]1C[C@H](CCN2CCN3C(=O)NC[C@@H]3C2)C[C@@H](C)C1 ZINC000247269640 394528250 /nfs/dbraw/zinc/52/82/50/394528250.db2.gz JVYUKUAZSOHGQR-CBBWQLFWSA-N 0 3 279.428 2.158 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2Cc3ccccc3C2)C1 ZINC000247464447 394531410 /nfs/dbraw/zinc/53/14/10/394531410.db2.gz URYRRRQKMMSWHJ-XJKSGUPXSA-N 0 3 287.407 2.441 10 0 CEAEHN CC[C@](C)(O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000249366873 394554077 /nfs/dbraw/zinc/55/40/77/394554077.db2.gz MOBOKXHTSSAIQS-HOTGVXAUSA-N 0 3 261.365 2.279 10 0 CEAEHN Cc1csc(CNC(=O)N[C@H](CC(C)C)CN(C)C)n1 ZINC000079047005 394629924 /nfs/dbraw/zinc/62/99/24/394629924.db2.gz QUAMRCJVASBNHN-GFCCVEGCSA-N 0 3 298.456 2.227 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1csc(Cl)n1 ZINC000274517978 394797896 /nfs/dbraw/zinc/79/78/96/394797896.db2.gz RSCDDBGPQZRMEU-DTWKUNHWSA-N 0 3 285.800 2.105 10 0 CEAEHN CC[C@H](C)CN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000132560245 394933803 /nfs/dbraw/zinc/93/38/03/394933803.db2.gz NDOJEXHVMZZADA-MELADBBJSA-N 0 3 269.433 2.403 10 0 CEAEHN CCC[C@H](N[C@H]1CN(C(C)C)C[C@@H]1C)C(=O)OCC ZINC000151842371 394979101 /nfs/dbraw/zinc/97/91/01/394979101.db2.gz MLVGEXWOZRTNAV-IHRRRGAJSA-N 0 3 270.417 2.037 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cc(OC)ccc2F)C1 ZINC000151876329 394979851 /nfs/dbraw/zinc/97/98/51/394979851.db2.gz XHHBVNOMTLQMRQ-LLVKDONJSA-N 0 3 295.358 2.440 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cnc(C)s1 ZINC000175012948 395129737 /nfs/dbraw/zinc/12/97/37/395129737.db2.gz TUJYZDZBUOAZPD-NWDGAFQWSA-N 0 3 279.409 2.150 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1Cc1ccns1 ZINC000404334233 395282975 /nfs/dbraw/zinc/28/29/75/395282975.db2.gz AQIPOLZEEIJEQQ-NEPJUHHUSA-N 0 3 251.399 2.202 10 0 CEAEHN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000192941390 395396821 /nfs/dbraw/zinc/39/68/21/395396821.db2.gz GOEUBMFRPHOEOT-MNOVXSKESA-N 0 3 297.424 2.269 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCc2cccc(C)c2)C1 ZINC000194794784 395448472 /nfs/dbraw/zinc/44/84/72/395448472.db2.gz QSICDFCYHMCGMD-MRXNPFEDSA-N 0 3 289.423 2.321 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@]1(C)CCCS1)N(C)C ZINC000154212552 289138386 /nfs/dbraw/zinc/13/83/86/289138386.db2.gz XPEDZQSHIOEJJK-AAEUAGOBSA-N 0 3 258.431 2.119 10 0 CEAEHN CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)N(C)C ZINC000199851171 400297513 /nfs/dbraw/zinc/29/75/13/400297513.db2.gz MMWVJMKLVCUTGJ-AWEZNQCLSA-N 0 3 293.363 2.032 10 0 CEAEHN CCN1CCO[C@H](CNCc2cc(C)cc(Cl)c2)C1 ZINC000395142394 400555262 /nfs/dbraw/zinc/55/52/62/400555262.db2.gz IDKROQZSWJFQDZ-OAHLLOKOSA-N 0 3 282.815 2.459 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1cc(OC)ccc1OC)C(F)(F)F ZINC000062784740 522651795 /nfs/dbraw/zinc/65/17/95/522651795.db2.gz IPRBNDSWCBOPEY-NEPJUHHUSA-N 0 3 293.285 2.191 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(F)nc1 ZINC000189436111 153095310 /nfs/dbraw/zinc/09/53/10/153095310.db2.gz AFBRTVHQIPEMQM-AWEZNQCLSA-N 0 3 274.343 2.390 10 0 CEAEHN CCC(=O)CCN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000190214855 153122242 /nfs/dbraw/zinc/12/22/42/153122242.db2.gz LDFQDCSAJDWQQC-GFCCVEGCSA-N 0 3 265.357 2.002 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC=C(C)C ZINC000190598557 153134549 /nfs/dbraw/zinc/13/45/49/153134549.db2.gz MVBQOSXKVBQJBD-ZDUSSCGKSA-N 0 3 253.390 2.078 10 0 CEAEHN C[C@H](NCc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCCO1 ZINC000192470057 153208053 /nfs/dbraw/zinc/20/80/53/153208053.db2.gz TXUGZAHJQNEYEM-GWCFXTLKSA-N 0 3 292.404 2.257 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2cccc3ccccc32)n1 ZINC000263269654 154044555 /nfs/dbraw/zinc/04/45/55/154044555.db2.gz SANFZEHXTFTYGT-OAHLLOKOSA-N 0 3 294.358 2.466 10 0 CEAEHN C[C@H]([NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1)C1CCCC1 ZINC000263497844 154103627 /nfs/dbraw/zinc/10/36/27/154103627.db2.gz KBDUWVATUASTLB-JQRITLKVSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H](NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C1CCCC1 ZINC000263497844 154103630 /nfs/dbraw/zinc/10/36/30/154103630.db2.gz KBDUWVATUASTLB-JQRITLKVSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H](NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C1CCCC1 ZINC000263497844 154103633 /nfs/dbraw/zinc/10/36/33/154103633.db2.gz KBDUWVATUASTLB-JQRITLKVSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H](NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263521890 154109172 /nfs/dbraw/zinc/10/91/72/154109172.db2.gz RIGNRKJDKVYFEA-VCANKDNSSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H](NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263521890 154109176 /nfs/dbraw/zinc/10/91/76/154109176.db2.gz RIGNRKJDKVYFEA-VCANKDNSSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]([NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263521890 154109180 /nfs/dbraw/zinc/10/91/80/154109180.db2.gz RIGNRKJDKVYFEA-VCANKDNSSA-N 0 3 280.412 2.092 10 0 CEAEHN CCCC[C@@H](C)[NH2+]C1CC(N(CC)CC(=O)[O-])C1 ZINC000263516367 154112583 /nfs/dbraw/zinc/11/25/83/154112583.db2.gz OVFFWNURKLHYQM-PNESKVBLSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCC[C@@H](C)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263516367 154112584 /nfs/dbraw/zinc/11/25/84/154112584.db2.gz OVFFWNURKLHYQM-PNESKVBLSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCC[C@@H](C)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263516367 154112589 /nfs/dbraw/zinc/11/25/89/154112589.db2.gz OVFFWNURKLHYQM-PNESKVBLSA-N 0 3 256.390 2.092 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1c1nc(C2CC2)ns1 ZINC000301966782 154183289 /nfs/dbraw/zinc/18/32/89/154183289.db2.gz VQNQMBPMPKSCJX-RYUDHWBXSA-N 0 3 278.425 2.479 10 0 CEAEHN C[C@@H](CNC(=O)N1CCS[C@@H](C)C1)N1CCC(C)CC1 ZINC000171434076 162384395 /nfs/dbraw/zinc/38/43/95/162384395.db2.gz KFZFCJCHEQBKAJ-KBPBESRZSA-N 0 3 299.484 2.254 10 0 CEAEHN c1ccc2[nH]c(CN3CCN4CCCC[C@H]4C3)nc2c1 ZINC000245563709 162441207 /nfs/dbraw/zinc/44/12/07/162441207.db2.gz PYHSGZQAKWRGMZ-ZDUSSCGKSA-N 0 3 270.380 2.233 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(CCCOC(C)C)C2)no1 ZINC000171503419 165046849 /nfs/dbraw/zinc/04/68/49/165046849.db2.gz QGOFOAFRYSNSGS-AWEZNQCLSA-N 0 3 281.400 2.448 10 0 CEAEHN CCCCC[C@H](C)CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173521581 165074020 /nfs/dbraw/zinc/07/40/20/165074020.db2.gz GGRKHRICKCQWLV-GJZGRUSLSA-N 0 3 284.444 2.382 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(CCCSC)C1 ZINC000173608510 165080234 /nfs/dbraw/zinc/08/02/34/165080234.db2.gz HVYLLKJKBMYKTD-GFCCVEGCSA-N 0 3 268.430 2.231 10 0 CEAEHN CCc1nc(NC(=O)N2CCN3CCC[C@@H]3C2)sc1C ZINC000174349155 165105263 /nfs/dbraw/zinc/10/52/63/165105263.db2.gz ZPENAGYTZFMUQB-LLVKDONJSA-N 0 3 294.424 2.326 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)CSC(F)(F)F ZINC000175006609 165122258 /nfs/dbraw/zinc/12/22/58/165122258.db2.gz OQCPTXDRYPEYLH-NXEZZACHSA-N 0 3 296.358 2.325 10 0 CEAEHN CCCN(CCC)C(=O)CN(C)C[C@@H]1CCCN1CC ZINC000175349996 165134379 /nfs/dbraw/zinc/13/43/79/165134379.db2.gz AWMPJWHRUBGOEH-HNNXBMFYSA-N 0 3 283.460 2.051 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1cc(C)c(C(=O)OC)o1 ZINC000175335948 165135573 /nfs/dbraw/zinc/13/55/73/165135573.db2.gz MROKXLIBEQLXCQ-CYBMUJFWSA-N 0 3 294.395 2.291 10 0 CEAEHN CCCCO[C@H](C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000176970524 165179363 /nfs/dbraw/zinc/17/93/63/165179363.db2.gz CCVTZZKNIKXHFW-ZIAGYGMSSA-N 0 3 270.417 2.134 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCCSC ZINC000177023593 165185605 /nfs/dbraw/zinc/18/56/05/165185605.db2.gz KWROTUCSRVDKNE-GFCCVEGCSA-N 0 3 258.431 2.072 10 0 CEAEHN CC(C)(C)c1nnc(N2CCN3CCC[C@@H]3C2)s1 ZINC000178777096 165261508 /nfs/dbraw/zinc/26/15/08/165261508.db2.gz LOPPDMDKNBXJHB-SNVBAGLBSA-N 0 3 266.414 2.120 10 0 CEAEHN C[C@@H]1CC2(CCC2)CN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000334551773 287235490 /nfs/dbraw/zinc/23/54/90/287235490.db2.gz YRJWWEODYIQSGZ-UKRRQHHQSA-N 0 3 292.423 2.031 10 0 CEAEHN FC(F)Oc1ccccc1CN[C@@H]1CN2CCC1CC2 ZINC000019947976 170937520 /nfs/dbraw/zinc/93/75/20/170937520.db2.gz JGNKCPZFBVTHHC-CYBMUJFWSA-N 0 3 282.334 2.472 10 0 CEAEHN CCCOc1ccc([C@H](C)NCCNC(C)=O)cc1 ZINC000020148948 171037938 /nfs/dbraw/zinc/03/79/38/171037938.db2.gz ATJAKFKNCAGXRL-LBPRGKRZSA-N 0 3 264.369 2.262 10 0 CEAEHN NC[C@H](c1ccccc1Cl)N1CCC(CO)CC1 ZINC000020179048 171043459 /nfs/dbraw/zinc/04/34/59/171043459.db2.gz QPAVRKVSWKACEO-CQSZACIVSA-N 0 3 268.788 2.044 10 0 CEAEHN C=COCCCNCc1ccc(OC)c(OC)c1OC ZINC000020197045 171061374 /nfs/dbraw/zinc/06/13/74/171061374.db2.gz QINOHWSJZXTWFG-UHFFFAOYSA-N 0 3 281.352 2.352 10 0 CEAEHN NC[C@H](c1ccccc1Cl)N1CCSCC1 ZINC000020257092 171111813 /nfs/dbraw/zinc/11/18/13/171111813.db2.gz RJHFPKYMNFDIIM-GFCCVEGCSA-N 0 3 256.802 2.389 10 0 CEAEHN Nc1cccc(NC(=O)CCCN2CCSCC2)c1 ZINC000020256928 171111967 /nfs/dbraw/zinc/11/19/67/171111967.db2.gz OUGRCQWGXFMXFG-UHFFFAOYSA-N 0 3 279.409 2.036 10 0 CEAEHN C[C@@H](Oc1ccccc1[C@H](C)N)C(=O)NC(C)(C)C ZINC000020419506 171184547 /nfs/dbraw/zinc/18/45/47/171184547.db2.gz MGWLKKFNKHJKKF-WDEREUQCSA-N 0 3 264.369 2.388 10 0 CEAEHN CC(=O)Nc1cccc(N[C@H]2CN3CCC2CC3)c1 ZINC000020440860 171203963 /nfs/dbraw/zinc/20/39/63/171203963.db2.gz XVMGBQAOXATUAZ-HNNXBMFYSA-N 0 3 259.353 2.151 10 0 CEAEHN CN(C)CCN(C)c1ccc(Br)cc1C=O ZINC000021988758 171346046 /nfs/dbraw/zinc/34/60/46/171346046.db2.gz QWSMFIWJNNADIH-UHFFFAOYSA-N 0 3 285.185 2.259 10 0 CEAEHN NCc1ccccc1OCC(=O)Nc1ccccc1F ZINC000022165981 171365937 /nfs/dbraw/zinc/36/59/37/171365937.db2.gz VULBMGKQCUFAPM-UHFFFAOYSA-N 0 3 274.295 2.302 10 0 CEAEHN NCc1ccccc1OCC(=O)Nc1ccc(F)cc1F ZINC000022171665 171368239 /nfs/dbraw/zinc/36/82/39/171368239.db2.gz YBVVNBNORGBOMX-UHFFFAOYSA-N 0 3 292.285 2.441 10 0 CEAEHN CCN(CC)[C@H](CN)c1ccc(OC)c(OC)c1OC ZINC000022213095 171374328 /nfs/dbraw/zinc/37/43/28/171374328.db2.gz VHKICFNLUVHUBM-GFCCVEGCSA-N 0 3 282.384 2.054 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2ccccc2Cl)CCO1 ZINC000022212779 171374606 /nfs/dbraw/zinc/37/46/06/171374606.db2.gz NJQZAIVCQWSJIE-GWCFXTLKSA-N 0 3 254.761 2.061 10 0 CEAEHN CC(=O)Nc1ccccc1Oc1ccc(CN)cn1 ZINC000022215633 171375194 /nfs/dbraw/zinc/37/51/94/171375194.db2.gz LPPZRWHAXKYKOC-UHFFFAOYSA-N 0 3 257.293 2.291 10 0 CEAEHN N[C@H](CN1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000022562920 171391189 /nfs/dbraw/zinc/39/11/89/171391189.db2.gz CXDCXRFTAJGMRK-CQSZACIVSA-N 0 3 276.380 2.334 10 0 CEAEHN CC(C)(C)c1ccc([C@@H](N)CN2CCOCC2)cc1 ZINC000022565746 171391946 /nfs/dbraw/zinc/39/19/46/171391946.db2.gz CUTMVRQOBXMPTM-HNNXBMFYSA-N 0 3 262.397 2.316 10 0 CEAEHN O=C(CN[C@H]1CCCc2ccccc21)N1CCCC1 ZINC000035179719 172032553 /nfs/dbraw/zinc/03/25/53/172032553.db2.gz UIAOCSUHANBWPO-HNNXBMFYSA-N 0 3 258.365 2.276 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)N[C@H]1CCc2ccccc2C1 ZINC000035223334 172067208 /nfs/dbraw/zinc/06/72/08/172067208.db2.gz HNHQHSGKXAHTKQ-CJNGLKHVSA-N 0 3 274.408 2.390 10 0 CEAEHN NCc1cnc(-c2cccc(Br)c2)nc1 ZINC000035323085 172125640 /nfs/dbraw/zinc/12/56/40/172125640.db2.gz PGTCSKHTPXJNAX-UHFFFAOYSA-N 0 3 264.126 2.365 10 0 CEAEHN CN[C@@H](c1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488412 172222884 /nfs/dbraw/zinc/22/28/84/172222884.db2.gz VOVDOBLSVGRWMM-AWEZNQCLSA-N 0 3 253.305 2.165 10 0 CEAEHN CN[C@@H](CC(F)(F)F)c1ccc2c(c1)CC(=O)N2 ZINC000035495956 172228650 /nfs/dbraw/zinc/22/86/50/172228650.db2.gz YCDLBIMILPNXMW-JTQLQIEISA-N 0 3 258.243 2.394 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000035571745 172267512 /nfs/dbraw/zinc/26/75/12/172267512.db2.gz PODWONBIEUIEAX-QWHCGFSZSA-N 0 3 280.343 2.487 10 0 CEAEHN CN[C@H](C)c1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000035632790 172315322 /nfs/dbraw/zinc/31/53/22/172315322.db2.gz IJQGHBZEJWLOLB-SNVBAGLBSA-N 0 3 270.398 2.044 10 0 CEAEHN CNCc1cc(Cl)cc(Cl)c1O[C@H](C)C(=O)NC ZINC000035661988 172340302 /nfs/dbraw/zinc/34/03/02/172340302.db2.gz UJHIYFZOXLQCKR-SSDOTTSWSA-N 0 3 291.178 2.226 10 0 CEAEHN CNCc1cc(OC)c(OCC(C)C)c(OC)c1 ZINC000035662983 172341518 /nfs/dbraw/zinc/34/15/18/172341518.db2.gz QGHLWSHDDSMPRM-UHFFFAOYSA-N 0 3 253.342 2.458 10 0 CEAEHN CC(C)CN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186726 173017536 /nfs/dbraw/zinc/01/75/36/173017536.db2.gz FGQFKDNRMYZLAP-LBPRGKRZSA-N 0 3 253.367 2.151 10 0 CEAEHN COC[C@@H](C)NCc1c(C)nc2scc(C)n12 ZINC000037196144 173024375 /nfs/dbraw/zinc/02/43/75/173024375.db2.gz ZRBPPZVWNJJLOJ-MRVPVSSYSA-N 0 3 253.371 2.137 10 0 CEAEHN CN1CCN([C@H](CN)c2cc(Cl)cc(Cl)c2)CC1 ZINC000037424733 173198943 /nfs/dbraw/zinc/19/89/43/173198943.db2.gz ODJIGESKLYSESE-CYBMUJFWSA-N 0 3 288.222 2.241 10 0 CEAEHN C[C@@H](NCc1cccs1)C(=O)N1CCCCC1 ZINC000037466965 173226793 /nfs/dbraw/zinc/22/67/93/173226793.db2.gz VVYGVEPMJWPXES-LLVKDONJSA-N 0 3 252.383 2.239 10 0 CEAEHN CC[C@@H](N)C(=O)N(CC)[C@H](C)c1cccc(O)c1 ZINC000037827115 173784577 /nfs/dbraw/zinc/78/45/77/173784577.db2.gz QMHPZPICGVYRQM-ZWNOBZJWSA-N 0 3 250.342 2.039 10 0 CEAEHN C[C@@](NCC1CC1)(C(N)=O)c1ccc(Br)cc1 ZINC000037952190 173894798 /nfs/dbraw/zinc/89/47/98/173894798.db2.gz AEMOZXQAJMVUQW-ZDUSSCGKSA-N 0 3 297.196 2.149 10 0 CEAEHN C[C@@](NC1CCCCC1)(C(N)=O)c1cccc(F)c1 ZINC000037971300 173922666 /nfs/dbraw/zinc/92/26/66/173922666.db2.gz VBBBXPVRXXRPAB-HNNXBMFYSA-N 0 3 264.344 2.449 10 0 CEAEHN CC[C@@H](C)N[C@](CC)(C(N)=O)c1ccc(OC)cc1 ZINC000038065580 174076960 /nfs/dbraw/zinc/07/69/60/174076960.db2.gz POAVCPZZLSHWIU-ABAIWWIYSA-N 0 3 264.369 2.174 10 0 CEAEHN CCN1CCC[C@@H](NCc2cnn(C(C)(C)C)c2)C1 ZINC000040502960 174298876 /nfs/dbraw/zinc/29/88/76/174298876.db2.gz APUKEIJVWHODKB-CQSZACIVSA-N 0 3 264.417 2.212 10 0 CEAEHN CCCCOCCN[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000040507352 174302832 /nfs/dbraw/zinc/30/28/32/174302832.db2.gz IBSMDDQLCMEOMI-STQMWFEESA-N 0 3 258.406 2.086 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000040634356 174360449 /nfs/dbraw/zinc/36/04/49/174360449.db2.gz LJRLCFZGAPVNCR-DZGCQCFKSA-N 0 3 292.379 2.098 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@H]1C[C@@H](OC)CN1 ZINC000040634326 174360568 /nfs/dbraw/zinc/36/05/68/174360568.db2.gz YARVEEGCFRRLEJ-ZYHUDNBSSA-N 0 3 280.393 2.114 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3ccc(C)cc3)c[nH]2)C1 ZINC000040637723 174362096 /nfs/dbraw/zinc/36/20/96/174362096.db2.gz MSJNPQVFESXZNU-STQMWFEESA-N 0 3 257.337 2.435 10 0 CEAEHN C[C@@H](NC(C)(C)C(N)=O)c1cccc(Br)c1 ZINC000040674054 174372489 /nfs/dbraw/zinc/37/24/89/174372489.db2.gz FPUVQNSUMVCDKU-MRVPVSSYSA-N 0 3 285.185 2.364 10 0 CEAEHN CCOC1CCN(C[C@H](N)c2ccccc2OC)CC1 ZINC000040689336 174376599 /nfs/dbraw/zinc/37/65/99/174376599.db2.gz FPGBJXSWHHHNDN-HNNXBMFYSA-N 0 3 278.396 2.196 10 0 CEAEHN O=C(c1ccc([O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694392 174377981 /nfs/dbraw/zinc/37/79/81/174377981.db2.gz OEIRZFXCWHISIZ-UHFFFAOYSA-N 0 3 288.391 2.483 10 0 CEAEHN Cc1c(C)n([C@@H]2CCCN(C)C2)c2nc(C)nc(N)c12 ZINC000040716086 174383425 /nfs/dbraw/zinc/38/34/25/174383425.db2.gz XERNSVIQSCOGLN-GFCCVEGCSA-N 0 3 273.384 2.205 10 0 CEAEHN CCc1c(C)nn(C[C@@H](N)c2ccc3c(c2)OCO3)c1C ZINC000040732280 174388692 /nfs/dbraw/zinc/38/86/92/174388692.db2.gz YVLCDVXSMQICDC-CQSZACIVSA-N 0 3 287.363 2.491 10 0 CEAEHN Oc1ccc2c(c1)OC[C@@H]2NCCN1CCCCCC1 ZINC000040767466 174398112 /nfs/dbraw/zinc/39/81/12/174398112.db2.gz YQUNDFZFVJSFCP-HNNXBMFYSA-N 0 3 276.380 2.291 10 0 CEAEHN CC(C)(N)c1cn(Cc2ncc(-c3ccccc3)o2)nn1 ZINC000070118161 414766354 /nfs/dbraw/zinc/76/63/54/414766354.db2.gz DQTMTSSTCJDOQL-UHFFFAOYSA-N 0 3 283.335 2.175 10 0 CEAEHN CC(C)c1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)cc1 ZINC000404061569 414772163 /nfs/dbraw/zinc/77/21/63/414772163.db2.gz DFCNHXMNXGVCCG-IRXDYDNUSA-N 0 3 274.408 2.373 10 0 CEAEHN CN(C(=O)c1ccc(Cl)cc1)[C@H](CN)C(F)(F)F ZINC000662974972 414814935 /nfs/dbraw/zinc/81/49/35/414814935.db2.gz CHVOYGHSFZZBKU-SECBINFHSA-N 0 3 280.677 2.302 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)s1 ZINC000662978254 414816934 /nfs/dbraw/zinc/81/69/34/414816934.db2.gz ZZGMXRXOQVSAEJ-QMMMGPOBSA-N 0 3 266.288 2.018 10 0 CEAEHN CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H](CN)C(F)(F)F ZINC000662987025 414818102 /nfs/dbraw/zinc/81/81/02/414818102.db2.gz LGFONZAKPZULFS-NSHDSACASA-N 0 3 285.269 2.130 10 0 CEAEHN CN(C(=O)c1sccc1Cl)[C@H](CN)C(F)(F)F ZINC000662983457 414818497 /nfs/dbraw/zinc/81/84/97/414818497.db2.gz CJDAPLVBVIGZTD-ZCFIWIBFSA-N 0 3 286.706 2.363 10 0 CEAEHN COC[C@@H](C)NC(=O)CN[C@@H](c1cccs1)C(C)C ZINC000042314773 174682275 /nfs/dbraw/zinc/68/22/75/174682275.db2.gz KDZDYKZQQYOSFN-BXUZGUMPSA-N 0 3 284.425 2.186 10 0 CEAEHN COc1c(CNC[C@@H](C)c2ccccn2)c(C)nn1C ZINC000657532881 414990654 /nfs/dbraw/zinc/99/06/54/414990654.db2.gz NGKHZSYPSPGMKI-LLVKDONJSA-N 0 3 274.368 2.025 10 0 CEAEHN CCN[C@@H](c1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000043300783 175001555 /nfs/dbraw/zinc/00/15/55/175001555.db2.gz MMEXQZYNTJQSIT-SWLSCSKDSA-N 0 3 297.420 2.171 10 0 CEAEHN CCN[C@H](c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301042 175001896 /nfs/dbraw/zinc/00/18/96/175001896.db2.gz LLBKZBYUAXVOAB-HUUCEWRRSA-N 0 3 281.421 2.389 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301397 175002068 /nfs/dbraw/zinc/00/20/68/175002068.db2.gz IDIHXFJSUGHKSF-DZGCQCFKSA-N 0 3 297.420 2.171 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2cccc(C)c2C)CCO1 ZINC000043314645 175004795 /nfs/dbraw/zinc/00/47/95/175004795.db2.gz BZBVMZICURKKJD-HOCLYGCPSA-N 0 3 262.397 2.414 10 0 CEAEHN CC(=O)Nc1ccccc1O[C@@H](CN)c1ccco1 ZINC000043337047 175012479 /nfs/dbraw/zinc/01/24/79/175012479.db2.gz ZAWFVWDFRHNBAO-AWEZNQCLSA-N 0 3 260.293 2.317 10 0 CEAEHN C[C@@H](N)[C@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341218 175015155 /nfs/dbraw/zinc/01/51/55/175015155.db2.gz BZCCYLGTQDOLAA-ZWNOBZJWSA-N 0 3 262.382 2.058 10 0 CEAEHN CN(C)c1cccc(O[C@H](CN)c2ccccn2)c1 ZINC000043344005 175016236 /nfs/dbraw/zinc/01/62/36/175016236.db2.gz ZGFXFXNJXWCLIP-OAHLLOKOSA-N 0 3 257.337 2.226 10 0 CEAEHN CC(C)N(CC(F)(F)F)[C@@H](CN)c1ccncc1 ZINC000043354839 175022173 /nfs/dbraw/zinc/02/21/73/175022173.db2.gz WKHWZESJFJSSHY-NSHDSACASA-N 0 3 261.291 2.354 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043363675 175024250 /nfs/dbraw/zinc/02/42/50/175024250.db2.gz FSWILXGDAGYVNP-COMQUAJESA-N 0 3 266.385 2.476 10 0 CEAEHN C[C@@H]1COCCN1[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390308 175033493 /nfs/dbraw/zinc/03/34/93/175033493.db2.gz SVSZYEKYGVFXAT-RNCFNFMXSA-N 0 3 272.751 2.200 10 0 CEAEHN CN[C@@H](CN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000043814060 175111925 /nfs/dbraw/zinc/11/19/25/175111925.db2.gz SZGNKSVHMMRCFO-AWEZNQCLSA-N 0 3 278.396 2.450 10 0 CEAEHN CCN(C[C@@H](NC)c1ccc2c(c1)OCCO2)C1CC1 ZINC000043821378 175114330 /nfs/dbraw/zinc/11/43/30/175114330.db2.gz FRVVYAQHMBJCNM-CQSZACIVSA-N 0 3 276.380 2.203 10 0 CEAEHN CCN(C[C@H](NC)c1ccccc1OC)C[C@@H]1CCCO1 ZINC000043966769 175127872 /nfs/dbraw/zinc/12/78/72/175127872.db2.gz BPCKXGXYMNKAJO-HOCLYGCPSA-N 0 3 292.423 2.457 10 0 CEAEHN CCC1CCN(C(=O)[C@H](CN)Cc2ccccc2)CC1 ZINC000044804246 175256097 /nfs/dbraw/zinc/25/60/97/175256097.db2.gz AOTXJYNHPIKYBV-INIZCTEOSA-N 0 3 274.408 2.453 10 0 CEAEHN CNC(=O)CCN[C@H](c1ccccc1)c1ccc(O)cc1 ZINC000044988276 175285261 /nfs/dbraw/zinc/28/52/61/175285261.db2.gz JGUXOUJOYBSMOR-QGZVFWFLSA-N 0 3 284.359 2.207 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCCC(=O)OC)c1C ZINC000045171345 175321186 /nfs/dbraw/zinc/32/11/86/175321186.db2.gz CSJYOIZSXYXSCY-JTQLQIEISA-N 0 3 267.373 2.124 10 0 CEAEHN COc1ncc(CNCCC2CCOCC2)s1 ZINC000045205435 175327603 /nfs/dbraw/zinc/32/76/03/175327603.db2.gz PRQQMPJADKXOPV-UHFFFAOYSA-N 0 3 256.371 2.058 10 0 CEAEHN CCCCN(C)C[C@](NCCC)(C(N)=O)c1ccccc1 ZINC000045221939 175330908 /nfs/dbraw/zinc/33/09/08/175330908.db2.gz JMVIMTMIRQGRIN-QGZVFWFLSA-N 0 3 291.439 2.099 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCC(C)CC1)NC(C)C ZINC000045225448 175333135 /nfs/dbraw/zinc/33/31/35/175333135.db2.gz VYUNFOCNROQLMQ-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN COC(=O)[C@](N)(CN(C)C1CCCCC1)c1ccccc1 ZINC000045231063 175335048 /nfs/dbraw/zinc/33/50/48/175335048.db2.gz DZHJPYIMYLXTQK-KRWDZBQOSA-N 0 3 290.407 2.278 10 0 CEAEHN CCOC(=O)[C@@](CN(C)CC(C)C)(NC)c1ccccc1 ZINC000045263457 175337855 /nfs/dbraw/zinc/33/78/55/175337855.db2.gz XOAPXGPNLUKGFX-KRWDZBQOSA-N 0 3 292.423 2.252 10 0 CEAEHN CCOC(=O)[C@](N)(CN(C)C1CCCC1)c1ccccc1 ZINC000045266062 175339331 /nfs/dbraw/zinc/33/93/31/175339331.db2.gz IGOMGOJRKPPYTG-KRWDZBQOSA-N 0 3 290.407 2.278 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)CC(C)(C)C)NC(C)C ZINC000045279348 175349536 /nfs/dbraw/zinc/34/95/36/175349536.db2.gz RMDFBNRTRHQUBN-HNNXBMFYSA-N 0 3 272.433 2.284 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCC(CC)CC1)NC(C)C ZINC000045281398 175352279 /nfs/dbraw/zinc/35/22/79/175352279.db2.gz FBPOZWBFYPTOKY-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CCN[C@H](CN(C)C1CCCCCC1)C(=O)OCC ZINC000045419079 175377217 /nfs/dbraw/zinc/37/72/17/175377217.db2.gz NFHLDEQUBYHTME-CQSZACIVSA-N 0 3 270.417 2.182 10 0 CEAEHN Cc1[nH]c2ccccc2c1C(=O)N[C@@H](CN)C(F)(F)F ZINC000655517142 415323023 /nfs/dbraw/zinc/32/30/23/415323023.db2.gz AMFPAPXATPNEJY-JTQLQIEISA-N 0 3 285.269 2.096 10 0 CEAEHN CCNCc1cc(CN2C[C@H](C)S[C@@H](C)C2)on1 ZINC000070386223 175904765 /nfs/dbraw/zinc/90/47/65/175904765.db2.gz TTWDLJNQHQAHSJ-QWRGUYRKSA-N 0 3 269.414 2.110 10 0 CEAEHN CCCN[C@](CO)(Cn1nc(C)cc1C)c1ccccc1 ZINC000070515917 175964877 /nfs/dbraw/zinc/96/48/77/175964877.db2.gz YJXFUGRGCLLCAZ-KRWDZBQOSA-N 0 3 287.407 2.387 10 0 CEAEHN O[C@H](CN[C@H]1COc2ccccc21)c1ccccc1 ZINC000070529589 175972116 /nfs/dbraw/zinc/97/21/16/175972116.db2.gz OGVIDILTOUJIJW-LSDHHAIUSA-N 0 3 255.317 2.443 10 0 CEAEHN NCc1ccn(Cc2cc(F)ccc2Br)n1 ZINC000070708206 176002297 /nfs/dbraw/zinc/00/22/97/176002297.db2.gz JWTBCAFSWRDLLV-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN Cc1nn(Cc2ccc(Br)cc2)cc1CN ZINC000070708111 176002356 /nfs/dbraw/zinc/00/23/56/176002356.db2.gz HWZXIEJZUUCKNB-UHFFFAOYSA-N 0 3 280.169 2.461 10 0 CEAEHN N[C@H]1CCC(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000070824455 176007457 /nfs/dbraw/zinc/00/74/57/176007457.db2.gz UUPRWXWIYKBQFR-GXSJLCMTSA-N 0 3 259.136 2.272 10 0 CEAEHN Nc1ccc(SC[C@@H]2CNCCO2)c(Cl)c1 ZINC000070834406 176007806 /nfs/dbraw/zinc/00/78/06/176007806.db2.gz OMVVOIKEBJFYIR-VIFPVBQESA-N 0 3 258.774 2.003 10 0 CEAEHN Cc1cc(Br)ccc1OC[C@H]1CNCCO1 ZINC000070834184 176008094 /nfs/dbraw/zinc/00/80/94/176008094.db2.gz NNNDSMSEASKXMM-LLVKDONJSA-N 0 3 286.169 2.125 10 0 CEAEHN Cc1cc(C)cc([C@H]2[C@@H](N)CCC(=O)N2C2CC2)c1 ZINC000070987567 176018693 /nfs/dbraw/zinc/01/86/93/176018693.db2.gz RAXXFKQRTHRWMQ-HOCLYGCPSA-N 0 3 258.365 2.457 10 0 CEAEHN CCc1ccccc1[C@H]1[C@H](N)CCC(=O)N1C1CC1 ZINC000070987076 176018781 /nfs/dbraw/zinc/01/87/81/176018781.db2.gz OLGYAJLSEGBEBM-ZBFHGGJFSA-N 0 3 258.365 2.402 10 0 CEAEHN COc1cccc(C2CC(NCc3ncc[nH]3)C2)c1 ZINC000070988995 176019247 /nfs/dbraw/zinc/01/92/47/176019247.db2.gz ITPUXRUEVBDPFF-UHFFFAOYSA-N 0 3 257.337 2.454 10 0 CEAEHN OC[C@H]1CCCCN1C[C@@H]1OCCc2ccccc21 ZINC000071030831 176021948 /nfs/dbraw/zinc/02/19/48/176021948.db2.gz MTIHOIMCPBPZRY-ZBFHGGJFSA-N 0 3 261.365 2.147 10 0 CEAEHN C[C@H](Cc1ccccc1)N1CCC[C@H](NC2CC2)C1=O ZINC000071031360 176022529 /nfs/dbraw/zinc/02/25/29/176022529.db2.gz SRMZUWLFRWLRNP-CJNGLKHVSA-N 0 3 272.392 2.361 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc(N2CCCC2)cc1 ZINC000071031288 176022588 /nfs/dbraw/zinc/02/25/88/176022588.db2.gz RKLRMRAIXODIFG-MRXNPFEDSA-N 0 3 285.391 2.144 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc(N2CCCC2)cc1 ZINC000071031287 176022702 /nfs/dbraw/zinc/02/27/02/176022702.db2.gz RKLRMRAIXODIFG-INIZCTEOSA-N 0 3 285.391 2.144 10 0 CEAEHN COc1ccc(Cl)c(N2CC[C@H](NC3CC3)C2=O)c1 ZINC000071031620 176023109 /nfs/dbraw/zinc/02/31/09/176023109.db2.gz WEVOIDZLCRSCDU-LBPRGKRZSA-N 0 3 280.755 2.206 10 0 CEAEHN CCN[C@@H]1CCN(c2nc(C(C)(C)C)cs2)C1=O ZINC000071034802 176024674 /nfs/dbraw/zinc/02/46/74/176024674.db2.gz GFELGWUWINAHNX-SECBINFHSA-N 0 3 267.398 2.155 10 0 CEAEHN Cc1cccc(CN2CCC[C@@H](NC3CC3)C2=O)c1 ZINC000071041280 176028096 /nfs/dbraw/zinc/02/80/96/176028096.db2.gz HGUVVXYZTWXUMP-OAHLLOKOSA-N 0 3 258.365 2.238 10 0 CEAEHN C[C@H](c1ccsc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071042813 176029320 /nfs/dbraw/zinc/02/93/20/176029320.db2.gz QHGDVKYYUMEFQQ-BXKDBHETSA-N 0 3 250.367 2.162 10 0 CEAEHN CC[C@H]1CCC[C@@H](N2CCN([C@@H](C)C(N)=S)CC2)C1 ZINC000071148240 176043968 /nfs/dbraw/zinc/04/39/68/176043968.db2.gz CJUHWYJQHWQWKU-MELADBBJSA-N 0 3 283.485 2.247 10 0 CEAEHN CCCOc1cncc(Nc2ccccc2CN)n1 ZINC000071177422 176055225 /nfs/dbraw/zinc/05/52/25/176055225.db2.gz UKTSVHFQCSPVKR-UHFFFAOYSA-N 0 3 258.325 2.468 10 0 CEAEHN CN(Cc1ccccc1Cl)c1cnc(CN)cn1 ZINC000071177869 176055690 /nfs/dbraw/zinc/05/56/90/176055690.db2.gz VYWJVKMBDOKGKB-UHFFFAOYSA-N 0 3 262.744 2.225 10 0 CEAEHN CCN[C@@H](C)c1cc(C)ccc1O[C@@H]1CCN(C)C1=O ZINC000071182992 176058052 /nfs/dbraw/zinc/05/80/52/176058052.db2.gz DRFATIAQKVQTHL-SWLSCSKDSA-N 0 3 276.380 2.275 10 0 CEAEHN CCC[C@@H](N[C@@H]1CCN(C)C1=O)c1cccs1 ZINC000071183725 176059189 /nfs/dbraw/zinc/05/91/89/176059189.db2.gz CPWHIOFFQGLCEK-GHMZBOCLSA-N 0 3 252.383 2.410 10 0 CEAEHN C[C@H]1CCC[C@H]1N[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000071207041 176080469 /nfs/dbraw/zinc/08/04/69/176080469.db2.gz LQCRLCZCYSJLSB-IACUBPJLSA-N 0 3 272.348 2.097 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1CNC ZINC000071403670 176155170 /nfs/dbraw/zinc/15/51/70/176155170.db2.gz BKPBAPOHUQOFQP-CHWSQXEVSA-N 0 3 278.396 2.396 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@@H](C)C(=O)OC ZINC000071403818 176155238 /nfs/dbraw/zinc/15/52/38/176155238.db2.gz IHGRPTHTPAGERA-NSHDSACASA-N 0 3 251.326 2.045 10 0 CEAEHN CCNCc1cc(C)ccc1OCC(=O)N[C@H](C)CC ZINC000071406112 176155819 /nfs/dbraw/zinc/15/58/19/176155819.db2.gz YHKDKMJUFMRUKX-CYBMUJFWSA-N 0 3 278.396 2.398 10 0 CEAEHN CCCNC(=O)COc1ccc(C)cc1CNC(C)C ZINC000071406689 176156239 /nfs/dbraw/zinc/15/62/39/176156239.db2.gz SPPCUADOTMCXHU-UHFFFAOYSA-N 0 3 278.396 2.398 10 0 CEAEHN CN[C@@H](C(=O)c1ccc(OC)c(OC)c1)C(C)C ZINC000071573076 176199221 /nfs/dbraw/zinc/19/92/21/176199221.db2.gz WPFVMBCKUYMPTJ-CYBMUJFWSA-N 0 3 251.326 2.131 10 0 CEAEHN CN[C@H](C(=O)c1cc(OC)c(C)cc1OC)C(C)C ZINC000071597812 176221041 /nfs/dbraw/zinc/22/10/41/176221041.db2.gz YTSKYFXHPRVTHV-AWEZNQCLSA-N 0 3 265.353 2.439 10 0 CEAEHN CCOc1ccc([C@@H](C)NC(=O)CNC)cc1Cl ZINC000076408852 177020023 /nfs/dbraw/zinc/02/00/23/177020023.db2.gz HPJSSVWVOUAROA-SECBINFHSA-N 0 3 270.760 2.135 10 0 CEAEHN CCCN(Cc1ccc(OC)c(Cl)c1)C(=O)CN ZINC000076710745 177068004 /nfs/dbraw/zinc/06/80/04/177068004.db2.gz XQCGZBXJNHRILV-UHFFFAOYSA-N 0 3 270.760 2.046 10 0 CEAEHN CCOC(=O)CCCCCN1[C@H](C)COC[C@@H]1C ZINC000077369874 177259432 /nfs/dbraw/zinc/25/94/32/177259432.db2.gz RIWXJKNMLKRPIW-BETUJISGSA-N 0 3 257.374 2.219 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000079123250 177438172 /nfs/dbraw/zinc/43/81/72/177438172.db2.gz MSYPZVATRKLYRH-ZDUSSCGKSA-N 0 3 267.417 2.301 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)N([C@@H](CN)C(F)(F)F)CC1 ZINC000079248176 177456354 /nfs/dbraw/zinc/45/63/54/177456354.db2.gz ROAAPXFGCLDHMY-ZJUUUORDSA-N 0 3 266.307 2.161 10 0 CEAEHN COCc1nc(CNC[C@@H]2C[C@@H](C)O[C@H]2C)cs1 ZINC000666429317 419664535 /nfs/dbraw/zinc/66/45/35/419664535.db2.gz PKVCKTHNPNILBB-VWYCJHECSA-N 0 3 270.398 2.193 10 0 CEAEHN COc1c(CNC[C@H]2CCCC2(F)F)c(C)nn1C ZINC000390696458 262242091 /nfs/dbraw/zinc/24/20/91/262242091.db2.gz RSTLFDUZSXRMII-SNVBAGLBSA-N 0 3 273.327 2.262 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cn2ccnc2s1 ZINC000188383590 262293558 /nfs/dbraw/zinc/29/35/58/262293558.db2.gz ZBXYMIXWQFBRSD-LLVKDONJSA-N 0 3 294.424 2.102 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC000187950682 276182254 /nfs/dbraw/zinc/18/22/54/276182254.db2.gz ABGKMQYXBHHKER-ZDUSSCGKSA-N 0 3 250.342 2.144 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000170861816 276834850 /nfs/dbraw/zinc/83/48/50/276834850.db2.gz MNDLFEPNZXCQMX-GDBMZVCRSA-N 0 3 287.407 2.410 10 0 CEAEHN CN1c2ccccc2[C@@H](NC[C@@H]2CCCOC2)CC1=O ZINC000038045123 277218069 /nfs/dbraw/zinc/21/80/69/277218069.db2.gz NXACLEVZNZXGSL-JSGCOSHPSA-N 0 3 274.364 2.110 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000040463734 277904489 /nfs/dbraw/zinc/90/44/89/277904489.db2.gz VMDOOLBETQBMGB-BBBLOLIVSA-N 0 3 266.307 2.207 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1ccc(O)cc1)N(C)C ZINC000135899047 278853244 /nfs/dbraw/zinc/85/32/44/278853244.db2.gz JWPSHVUGLACQPK-AWEZNQCLSA-N 0 3 264.369 2.081 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@](C)(O)C1CCCCC1)N(C)C ZINC000190498149 278855879 /nfs/dbraw/zinc/85/58/79/278855879.db2.gz BLFGMYVCQSFFEJ-GOEBONIOSA-N 0 3 284.444 2.164 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@](C)(O)C1CCCCC1)N(C)C ZINC000190498114 278856067 /nfs/dbraw/zinc/85/60/67/278856067.db2.gz BLFGMYVCQSFFEJ-HOCLYGCPSA-N 0 3 284.444 2.164 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C2CCC(C)CC2)C1 ZINC000263512785 279059431 /nfs/dbraw/zinc/05/94/31/279059431.db2.gz NXBDHAUTWIZZQM-UHFFFAOYSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC2CCC(C)CC2)C1 ZINC000263512785 279059432 /nfs/dbraw/zinc/05/94/32/279059432.db2.gz NXBDHAUTWIZZQM-UHFFFAOYSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC2CCC(C)CC2)C1 ZINC000263512785 279059433 /nfs/dbraw/zinc/05/94/33/279059433.db2.gz NXBDHAUTWIZZQM-UHFFFAOYSA-N 0 3 268.401 2.092 10 0 CEAEHN Cc1nc(C)c([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)s1 ZINC000282311555 279079520 /nfs/dbraw/zinc/07/95/20/279079520.db2.gz NBTZGWBHDHFMFB-HDBBIHSSSA-N 0 3 267.398 2.078 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C[C@H]1CCCCO1 ZINC000087192644 279122309 /nfs/dbraw/zinc/12/23/09/279122309.db2.gz YPHIKXAMNNPSSC-ZIAGYGMSSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)OCCC(C)C ZINC000176990818 279326112 /nfs/dbraw/zinc/32/61/12/279326112.db2.gz OIEVIRLCZURVCL-CABCVRRESA-N 0 3 284.444 2.380 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N(C)C1CCCCC1 ZINC000175362426 279326900 /nfs/dbraw/zinc/32/69/00/279326900.db2.gz WZIJRKHFSRMULS-INIZCTEOSA-N 0 3 295.471 2.194 10 0 CEAEHN CCC[C@H](C(=O)NCCc1cc(F)ccc1F)N(C)C ZINC000127277439 279857679 /nfs/dbraw/zinc/85/76/79/279857679.db2.gz YDYAIKORKPOXRK-CQSZACIVSA-N 0 3 284.350 2.354 10 0 CEAEHN CC[C@H]1CCCCN1C(=O)CN(C)C[C@@H]1CCCN1CC ZINC000175333885 288189980 /nfs/dbraw/zinc/18/99/80/288189980.db2.gz QUNJNCRBVGJPAM-HOTGVXAUSA-N 0 3 295.471 2.194 10 0 CEAEHN COc1c(CN2CCCC[C@@H](C)C2)c(C)nn1C ZINC000187517455 280136137 /nfs/dbraw/zinc/13/61/37/280136137.db2.gz RCWBZAHBZVAWHI-LLVKDONJSA-N 0 3 251.374 2.359 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)CSCC(F)(F)F)C1 ZINC000245582775 280251781 /nfs/dbraw/zinc/25/17/81/280251781.db2.gz KFMJHOPPGQYFAV-NXEZZACHSA-N 0 3 298.374 2.127 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1F ZINC000246235503 280282330 /nfs/dbraw/zinc/28/23/30/280282330.db2.gz HUGRXOWECVQXLI-OLZOCXBDSA-N 0 3 276.355 2.236 10 0 CEAEHN CC/C=C/CCN1CCN(CCOCC)[C@@H](C)C1 ZINC000248637302 280356439 /nfs/dbraw/zinc/35/64/39/280356439.db2.gz WGIFGJZZLWVABM-LFAOLKIESA-N 0 3 254.418 2.385 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC000249006927 280379502 /nfs/dbraw/zinc/37/95/02/280379502.db2.gz OAXLWSVZUJTBER-MJBXVCDLSA-N 0 3 252.402 2.413 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@@H]1CN(C)CCO1)CCC2 ZINC000180492689 281119278 /nfs/dbraw/zinc/11/92/78/281119278.db2.gz FDPURTWQQLTFMM-NVXWUHKLSA-N 0 3 274.408 2.293 10 0 CEAEHN Cc1ccc2oc(C(=O)N3C[C@H]4CCCN4C[C@@H]3C)cc2n1 ZINC000172059006 281179393 /nfs/dbraw/zinc/17/93/93/281179393.db2.gz IKUVAEZRWFXESV-QWHCGFSZSA-N 0 3 299.374 2.445 10 0 CEAEHN Fc1ccc(Cl)c(CN2CC[C@H]3OCCN[C@H]3C2)c1 ZINC000404280003 289292289 /nfs/dbraw/zinc/29/22/89/289292289.db2.gz VBPWEHKDRAGOEC-UONOGXRCSA-N 0 3 284.762 2.042 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000082285873 289311108 /nfs/dbraw/zinc/31/11/08/289311108.db2.gz HGCFBRWBSGDFQI-CQSZACIVSA-N 0 3 260.381 2.127 10 0 CEAEHN CN1CCO[C@H](CNCc2ccsc2C(F)(F)F)C1 ZINC000527652648 297733708 /nfs/dbraw/zinc/73/37/08/297733708.db2.gz GLDVUAZGNTWYLK-SNVBAGLBSA-N 0 3 294.342 2.187 10 0 CEAEHN C[C@H]1CN(C(=O)C23CCCN2CCC3)CC[C@@H]1C ZINC000335836109 300115845 /nfs/dbraw/zinc/11/58/45/300115845.db2.gz MAQMBLYIVGPMLZ-STQMWFEESA-N 0 3 250.386 2.119 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)CSC(C)(C)C ZINC000247253023 300318649 /nfs/dbraw/zinc/31/86/49/300318649.db2.gz NQSLEYGLFSFFJM-RYUDHWBXSA-N 0 3 270.442 2.213 10 0 CEAEHN Cc1cccc2c1OCCC[C@@H]2NCCCS(C)(=O)=O ZINC000038047732 302060336 /nfs/dbraw/zinc/06/03/36/302060336.db2.gz JQXCEVIYLAYTSH-AWEZNQCLSA-N 0 3 297.420 2.233 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@@]1(CN)C(F)(F)F ZINC000259289803 330381919 /nfs/dbraw/zinc/38/19/19/330381919.db2.gz VMUITAFSDWVMHR-SNVBAGLBSA-N 0 3 268.279 2.277 10 0 CEAEHN CC(C)(C)NCc1cc2c(cc1OCCCO)OCO2 ZINC000062733906 518764527 /nfs/dbraw/zinc/76/45/27/518764527.db2.gz ZYFQLMHXWDTTKT-UHFFFAOYSA-N 0 3 281.352 2.065 10 0 CEAEHN CC(C)(C)NCc1cnc(Cc2cccnc2)nc1 ZINC000054856492 518768060 /nfs/dbraw/zinc/76/80/60/518768060.db2.gz SSBIRSRTTBVAFO-UHFFFAOYSA-N 0 3 256.353 2.351 10 0 CEAEHN CC(C)CN1CCN(c2ccc(Cl)c(CO)n2)CC1 ZINC000055080520 519728589 /nfs/dbraw/zinc/72/85/89/519728589.db2.gz KWADSTFVVVRWNI-UHFFFAOYSA-N 0 3 283.803 2.005 10 0 CEAEHN CC(C)N[C@](C)(C[C@H](C)Oc1ccccc1F)C(N)=O ZINC000068655866 519740105 /nfs/dbraw/zinc/74/01/05/519740105.db2.gz FOXXLFDRVGCZKX-XHDPSFHLSA-N 0 3 282.359 2.225 10 0 CEAEHN CCCC1CCN(C[C@@](C)(NC(C)C)C(=O)OC)CC1 ZINC000050905675 519901687 /nfs/dbraw/zinc/90/16/87/519901687.db2.gz VUOCNSYGWSYDNL-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CCNCc1ccnc(Cc2ccc(OC)cc2)n1 ZINC000054791231 520011552 /nfs/dbraw/zinc/01/15/52/520011552.db2.gz KZADZLPBWDJCQG-UHFFFAOYSA-N 0 3 257.337 2.186 10 0 CEAEHN CCN[C@H](C)c1ccccc1OCCC(=O)OC ZINC000069317080 520181802 /nfs/dbraw/zinc/18/18/02/520181802.db2.gz BGZJDMNBJYLMRA-LLVKDONJSA-N 0 3 251.326 2.299 10 0 CEAEHN CCN[C@H](CCSCc1ccccc1C)C(N)=O ZINC000062603876 520194861 /nfs/dbraw/zinc/19/48/61/520194861.db2.gz XTNVORWGBYCLAQ-CYBMUJFWSA-N 0 3 266.410 2.082 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Sc1ccc(OC)cc1)C(N)=O ZINC000068635820 520238584 /nfs/dbraw/zinc/23/85/84/520238584.db2.gz QGSHQZPNZRQSSD-IAQYHMDHSA-N 0 3 296.436 2.419 10 0 CEAEHN CCOC(=O)[C@@](CN(C)CC1CC1)(NC(C)C)C1CC1 ZINC000069100753 521164299 /nfs/dbraw/zinc/16/42/99/521164299.db2.gz CIZCXPARRMRPCN-INIZCTEOSA-N 0 3 282.428 2.038 10 0 CEAEHN CCOC(=O)[C@@](CN1CCCC(C)(C)C1)(NC)C1CC1 ZINC000069517110 521167218 /nfs/dbraw/zinc/16/72/18/521167218.db2.gz SGOSOYMVKVKWJY-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCOC(=O)[C@H](CN1CCC[C@H](C)[C@@H]1C)NC(C)C ZINC000050567401 521249855 /nfs/dbraw/zinc/24/98/55/521249855.db2.gz VETXMUBDJFBMQD-IHRRRGAJSA-N 0 3 270.417 2.037 10 0 CEAEHN CCc1ccccc1[C@H](CN)N1CCOC(C)(C)C1 ZINC000052203573 521953952 /nfs/dbraw/zinc/95/39/52/521953952.db2.gz SRTKFRNPSXSSHP-HNNXBMFYSA-N 0 3 262.397 2.360 10 0 CEAEHN COC[C@@H](C)N(C)Cc1ccc(CNC(C)C)o1 ZINC000052511507 522218737 /nfs/dbraw/zinc/21/87/37/522218737.db2.gz LSLADJJSEWSHSW-GFCCVEGCSA-N 0 3 254.374 2.244 10 0 CEAEHN CN[C@@H](Cc1cc(F)cc(F)c1)c1ccnn1C ZINC000069467613 522360575 /nfs/dbraw/zinc/36/05/75/522360575.db2.gz VKKTXRMFHWVXKK-LBPRGKRZSA-N 0 3 251.280 2.202 10 0 CEAEHN CN[C@](CSc1ccccc1Cl)(C(N)=O)C1CC1 ZINC000069186547 522532668 /nfs/dbraw/zinc/53/26/68/522532668.db2.gz SEZGRGBQZSSKPQ-ZDUSSCGKSA-N 0 3 284.812 2.286 10 0 CEAEHN CC(=O)c1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000062984090 518370186 /nfs/dbraw/zinc/37/01/86/518370186.db2.gz YMYKFQHJSRYKID-CQSZACIVSA-N 0 3 275.352 2.057 10 0 CEAEHN CC(C)(C)c1ccc(OCCN2CC[C@H](O)C2)cc1 ZINC000061708660 519039772 /nfs/dbraw/zinc/03/97/72/519039772.db2.gz XIIFFOSRNJTWCW-AWEZNQCLSA-N 0 3 263.381 2.430 10 0 CEAEHN CC(C)(C)c1cccc(OCC[C@@H](NC2CC2)C(N)=O)c1 ZINC000062594664 519056088 /nfs/dbraw/zinc/05/60/88/519056088.db2.gz XFDCCIRZXVDVLH-OAHLLOKOSA-N 0 3 290.407 2.359 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547307 519226448 /nfs/dbraw/zinc/22/64/48/519226448.db2.gz PXKMUQFZQUUPNF-ZYHUDNBSSA-N 0 3 250.342 2.052 10 0 CEAEHN CC(C)NCc1coc(CN2CCOCC2(C)C)c1 ZINC000052546148 519729324 /nfs/dbraw/zinc/72/93/24/519729324.db2.gz SLROSLHKPHCFMA-UHFFFAOYSA-N 0 3 266.385 2.388 10 0 CEAEHN CC(C)N[C@@H](CCOc1ccc2ccccc2c1)C(N)=O ZINC000062550786 519734555 /nfs/dbraw/zinc/73/45/55/519734555.db2.gz MMVZVDAHADDGBC-INIZCTEOSA-N 0 3 286.375 2.461 10 0 CEAEHN CC(C)CNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)N ZINC000062745667 519740581 /nfs/dbraw/zinc/74/05/81/519740581.db2.gz LOZQZUUVRNEGDZ-MNOVXSKESA-N 0 3 282.359 2.385 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@H](CN2CCCN(C)CC2)C1 ZINC000054558921 519801883 /nfs/dbraw/zinc/80/18/83/519801883.db2.gz HWOLBIPKWAHBQD-CABCVRRESA-N 0 3 266.429 2.265 10 0 CEAEHN CC(C)[C@H](C)NC(=O)COc1cc(F)ccc1[C@H](C)N ZINC000062745099 519812515 /nfs/dbraw/zinc/81/25/15/519812515.db2.gz PNBNMNGBDNNTRY-QWRGUYRKSA-N 0 3 282.359 2.385 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1cc(Cl)ccc1N ZINC000049191873 519814192 /nfs/dbraw/zinc/81/41/92/519814192.db2.gz WSAZRYQYSAMZMN-ZDUSSCGKSA-N 0 3 283.803 2.238 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183055689 519817399 /nfs/dbraw/zinc/81/73/99/519817399.db2.gz LKUPFYQXLJEXPJ-OCCSQVGLSA-N 0 3 295.814 2.018 10 0 CEAEHN CC(C)c1nccn1Cc1nc(NN)ccc1Cl ZINC000061639292 519880499 /nfs/dbraw/zinc/88/04/99/519880499.db2.gz GQSWKLGPERYWDV-UHFFFAOYSA-N 0 3 265.748 2.389 10 0 CEAEHN CCNCc1cc(C)nc(COc2ccccc2)n1 ZINC000054831239 519988630 /nfs/dbraw/zinc/98/86/30/519988630.db2.gz YIXCCVOOBMSVER-UHFFFAOYSA-N 0 3 257.337 2.474 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC ZINC000062747404 519989160 /nfs/dbraw/zinc/98/91/60/519989160.db2.gz SGGGUOIPUQXVHV-QWRGUYRKSA-N 0 3 282.359 2.400 10 0 CEAEHN CCCN[C@@H](CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442984 519992694 /nfs/dbraw/zinc/99/26/94/519992694.db2.gz MNHPVSYIIJMZAX-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@@H](CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442984 519992700 /nfs/dbraw/zinc/99/27/00/519992700.db2.gz MNHPVSYIIJMZAX-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCC[NH2+][C@@H](CCN(C)C1CCCCC1)C(=O)[O-] ZINC000062442984 519992706 /nfs/dbraw/zinc/99/27/06/519992706.db2.gz MNHPVSYIIJMZAX-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCNCc1cnc(-n2ccc(C)n2)c(Cl)c1 ZINC000052885125 520014887 /nfs/dbraw/zinc/01/48/87/520014887.db2.gz ZHYTZXQYGOMVPR-UHFFFAOYSA-N 0 3 250.733 2.339 10 0 CEAEHN CCCN[C@@H](Cc1cnn(C)c1)c1ncccc1C ZINC000050543241 520015230 /nfs/dbraw/zinc/01/52/30/520015230.db2.gz FZUOEANSBCXADR-AWEZNQCLSA-N 0 3 258.369 2.407 10 0 CEAEHN CCNCc1cnc(N2CCN([C@H](C)CC)CC2)s1 ZINC000055076197 520015839 /nfs/dbraw/zinc/01/58/39/520015839.db2.gz BYXFUAWMWOWMOT-GFCCVEGCSA-N 0 3 282.457 2.173 10 0 CEAEHN CCNCc1coc(Cn2cc(Br)cn2)c1 ZINC000052577519 520017525 /nfs/dbraw/zinc/01/75/25/520017525.db2.gz SDVWMNQOQVMFCL-UHFFFAOYSA-N 0 3 284.157 2.396 10 0 CEAEHN CCNCc1oc(CN2CCOC[C@@H]2CC)cc1C ZINC000052481688 520027516 /nfs/dbraw/zinc/02/75/16/520027516.db2.gz BDOLJOLFIFDJIC-ZDUSSCGKSA-N 0 3 266.385 2.308 10 0 CEAEHN CCC[NH2+][C@H](CCN1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000062530953 520076406 /nfs/dbraw/zinc/07/64/06/520076406.db2.gz QWWBSBODFZDLRR-JKSUJKDBSA-N 0 3 290.407 2.319 10 0 CEAEHN CCCN[C@H](Cc1csc(C)n1)c1ccnn1C ZINC000069467905 520088031 /nfs/dbraw/zinc/08/80/31/520088031.db2.gz VCRZQCJZWFAUAL-GFCCVEGCSA-N 0 3 264.398 2.468 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1)[C@@H]1COCCO1 ZINC000055300401 520089022 /nfs/dbraw/zinc/08/90/22/520089022.db2.gz ISFHKGWERPSZBX-UONOGXRCSA-N 0 3 253.317 2.282 10 0 CEAEHN CCN[C@@H](CCOc1cc(C(C)C)ccc1C)C(N)=O ZINC000062539040 520090246 /nfs/dbraw/zinc/09/02/46/520090246.db2.gz XHZJNXOPPOEMKW-AWEZNQCLSA-N 0 3 278.396 2.351 10 0 CEAEHN CCCCCCOC[C@@H](O)CN[C@@H](CO)c1ccccc1 ZINC000063002313 520099679 /nfs/dbraw/zinc/09/96/79/520099679.db2.gz FANPCGAKDOYBLK-IRXDYDNUSA-N 0 3 295.423 2.267 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1OC)[C@@H]1COCCO1 ZINC000055300881 520107907 /nfs/dbraw/zinc/10/79/07/520107907.db2.gz HVBUBHNZEQVIRV-GJZGRUSLSA-N 0 3 265.353 2.070 10 0 CEAEHN CCCN[C@](CN1CCC[C@@H]1C)(C(=O)OCC)C1CC1 ZINC000069088509 520122343 /nfs/dbraw/zinc/12/23/43/520122343.db2.gz XJGAQKPHMWWGDW-BBRMVZONSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCN[C@](COCC1CCCCC1)(C(N)=O)C1CC1 ZINC000069198420 520123045 /nfs/dbraw/zinc/12/30/45/520123045.db2.gz KNIKDYVMPAJANV-INIZCTEOSA-N 0 3 282.428 2.217 10 0 CEAEHN CCCNc1cc(CN2CCN(CC)CC2)ccn1 ZINC000052709724 520136676 /nfs/dbraw/zinc/13/66/76/520136676.db2.gz VPTQOLAROIAVEA-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CCCNc1ccccc1C(=O)NC[C@@H](C)N(C)C ZINC000050779881 520177852 /nfs/dbraw/zinc/17/78/52/520177852.db2.gz YQVSJUOZAUMVFY-GFCCVEGCSA-N 0 3 263.385 2.188 10 0 CEAEHN CC[NH2+][C@H](CCN1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC000062530595 520188448 /nfs/dbraw/zinc/18/84/48/520188448.db2.gz BMKPUHYXHZKLLG-CYBMUJFWSA-N 0 3 270.417 2.197 10 0 CEAEHN CCCNc1ncccc1C(=O)N(CCC)CCN(C)C ZINC000050786152 520192986 /nfs/dbraw/zinc/19/29/86/520192986.db2.gz HZUVTOIAHFGBQL-UHFFFAOYSA-N 0 3 292.427 2.317 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1ccc(OCC)cc1)C(N)=O ZINC000068655109 520240189 /nfs/dbraw/zinc/24/01/89/520240189.db2.gz PKPWRQBYXYHQJX-BLLLJJGKSA-N 0 3 294.395 2.096 10 0 CEAEHN CCN[C@](CN1CCCC(C)(C)C1)(C(=O)OC)C1CC1 ZINC000069516591 520247729 /nfs/dbraw/zinc/24/77/29/520247729.db2.gz HVTIRTWNRIVXTM-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCOCCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000069052622 520252486 /nfs/dbraw/zinc/25/24/86/520252486.db2.gz LDUGITRUOUDVSC-UHFFFAOYSA-N 0 3 262.353 2.088 10 0 CEAEHN CCCOc1cccc(NC(=O)C(C)(C)NC)c1 ZINC000061300858 520458832 /nfs/dbraw/zinc/45/88/32/520458832.db2.gz VYPGGKCGIVTXAP-UHFFFAOYSA-N 0 3 250.342 2.412 10 0 CEAEHN CCCOc1nc(N2CCN(CC(C)C)CC2)ccc1N ZINC000055085605 520495494 /nfs/dbraw/zinc/49/54/94/520495494.db2.gz NFQYOADAYUKJQZ-UHFFFAOYSA-N 0 3 292.427 2.231 10 0 CEAEHN CC1(C)CNCCN1C(=O)c1c(F)cccc1Cl ZINC000062665710 520498837 /nfs/dbraw/zinc/49/88/37/520498837.db2.gz BWBJFURXCWNFRV-UHFFFAOYSA-N 0 3 270.735 2.303 10 0 CEAEHN CCN(CC)C[C@@H](C)Nc1nccn(CC(C)C)c1=O ZINC000061766136 520722931 /nfs/dbraw/zinc/72/29/31/520722931.db2.gz PRUMIRVXABFSGT-CYBMUJFWSA-N 0 3 280.416 2.042 10 0 CEAEHN CCN(CC1CC1)c1c(CNC(C)C)c(C)nn1C ZINC000069238814 520970964 /nfs/dbraw/zinc/97/09/64/520970964.db2.gz LCKQQJAULDRXRK-UHFFFAOYSA-N 0 3 264.417 2.463 10 0 CEAEHN CCCC[C@@](CC)(NCCN(C)C)C(=O)OCC ZINC000069382028 521123706 /nfs/dbraw/zinc/12/37/06/521123706.db2.gz RUJZUNYFTSQIRB-CQSZACIVSA-N 0 3 258.406 2.040 10 0 CEAEHN CCN(CCOC)c1nc(C2CC2)c(CNC)s1 ZINC000069181148 521141188 /nfs/dbraw/zinc/14/11/88/521141188.db2.gz DUAGORGUDJSRPB-UHFFFAOYSA-N 0 3 269.414 2.213 10 0 CEAEHN CCC[C@H](NCCS(C)(=O)=O)c1cccs1 ZINC000049543952 521158100 /nfs/dbraw/zinc/15/81/00/521158100.db2.gz BPEMKZGXNDDESO-JTQLQIEISA-N 0 3 261.412 2.224 10 0 CEAEHN CCN(Cc1cc(CNC(C)C)no1)[C@@H](C)COC ZINC000052504847 521288632 /nfs/dbraw/zinc/28/86/32/521288632.db2.gz ZLCYFRSZXNUKGA-LBPRGKRZSA-N 0 3 269.389 2.029 10 0 CEAEHN CCOC(=O)[C@](CN(C)CC(C)(C)C)(NC1CC1)C1CC1 ZINC000069132516 521337295 /nfs/dbraw/zinc/33/72/95/521337295.db2.gz DAYIGUHBKGHFCN-QGZVFWFLSA-N 0 3 296.455 2.428 10 0 CEAEHN CCOC(=O)[C@](CN(CC)CC)(NC(C)C)C1CC1 ZINC000069093682 521340739 /nfs/dbraw/zinc/34/07/39/521340739.db2.gz ZFQPJLCRFVIGMP-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCc1ccc([C@@H](Cn2ncccc2=O)NC)cc1 ZINC000061402300 521415071 /nfs/dbraw/zinc/41/50/71/521415071.db2.gz UYEGVISJAJYPCI-OAHLLOKOSA-N 0 3 271.364 2.157 10 0 CEAEHN CCN1C(=O)CC[C@@H](N)[C@H]1c1ccc(Cl)cc1 ZINC000062211301 521518501 /nfs/dbraw/zinc/51/85/01/521518501.db2.gz QOCQOFUGFRSLEV-DGCLKSJQSA-N 0 3 252.745 2.351 10 0 CEAEHN CCN1CCC[C@@H]1CNc1cc(C)nc(Cl)n1 ZINC000052814285 521640936 /nfs/dbraw/zinc/64/09/36/521640936.db2.gz WKFRSVDKTBWRFA-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN CCC1(C)CCN(C[C@@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069232497 521678343 /nfs/dbraw/zinc/67/83/43/521678343.db2.gz QKXYKAXGVDXCAM-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCN(C[C@](NC1CC1)(C(=O)OCC)C1CC1)C1CC1 ZINC000069098218 521678627 /nfs/dbraw/zinc/67/86/27/521678627.db2.gz AXFZRIBHHWMWMW-QGZVFWFLSA-N 0 3 294.439 2.325 10 0 CEAEHN COCC[C@@H](N)C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000052790768 521830751 /nfs/dbraw/zinc/83/07/51/521830751.db2.gz GJTRVDBITMCNOH-MRVPVSSYSA-N 0 3 299.783 2.252 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CC(=O)c1ccc(F)cc1F ZINC000061645614 521834971 /nfs/dbraw/zinc/83/49/71/521834971.db2.gz WQYDPLNGMHOSNB-LBPRGKRZSA-N 0 3 282.334 2.174 10 0 CEAEHN CCc1ccccc1[C@@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000052203311 521931992 /nfs/dbraw/zinc/93/19/92/521931992.db2.gz RSIZWNSVQUHPFN-DVOMOZLQSA-N 0 3 262.397 2.358 10 0 CEAEHN CCc1ccccc1[C@@H](CN)N1CCOC(C)(C)C1 ZINC000052203571 521932425 /nfs/dbraw/zinc/93/24/25/521932425.db2.gz SRTKFRNPSXSSHP-OAHLLOKOSA-N 0 3 262.397 2.360 10 0 CEAEHN COCC[C@H](N)c1nc2c([nH]1)CCc1sccc1-2 ZINC000061327123 521950613 /nfs/dbraw/zinc/95/06/13/521950613.db2.gz WQTVKMFROCXXSN-VIFPVBQESA-N 0 3 263.366 2.273 10 0 CEAEHN COCCn1c(CNCC(C)C)nc2ccccc21 ZINC000062742497 522068077 /nfs/dbraw/zinc/06/80/77/522068077.db2.gz IEKUQGBCNHRHED-UHFFFAOYSA-N 0 3 261.369 2.428 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@@H]2CNc3ccccc3O2)CC1 ZINC000055083401 522125011 /nfs/dbraw/zinc/12/50/11/522125011.db2.gz IMXMKEHIHYVFGB-CABCVRRESA-N 0 3 289.423 2.276 10 0 CEAEHN CC[C@@H](C)N1CCN([C@H](CN)c2c(F)cccc2F)CC1 ZINC000055064852 522130425 /nfs/dbraw/zinc/13/04/25/522130425.db2.gz DPMUELFPSOFLGP-IUODEOHRSA-N 0 3 297.393 2.381 10 0 CEAEHN CNCc1cccnc1N1CCOc2ccccc2C1 ZINC000063013654 522140823 /nfs/dbraw/zinc/14/08/23/522140823.db2.gz VQMYWZGUJRJTRD-UHFFFAOYSA-N 0 3 269.348 2.200 10 0 CEAEHN CNCc1cnc(N2CCc3sccc3C2)s1 ZINC000054900856 522149287 /nfs/dbraw/zinc/14/92/87/522149287.db2.gz QUURAGUKZYUMHH-UHFFFAOYSA-N 0 3 265.407 2.487 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@@H](C)N[C@@H]1CCc2ccccc2C1 ZINC000052396215 522195751 /nfs/dbraw/zinc/19/57/51/522195751.db2.gz TVUXSXJXHKVTMX-XJKCOSOUSA-N 0 3 274.408 2.437 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCCCC(=O)N(C)C ZINC000062746180 522331617 /nfs/dbraw/zinc/33/16/17/522331617.db2.gz TZGDEELLMAMQEX-NSHDSACASA-N 0 3 282.359 2.353 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@@H]1CCCCNC1=O ZINC000062746624 522332305 /nfs/dbraw/zinc/33/23/05/522332305.db2.gz WGZIWOPPRQZDPF-GXFFZTMASA-N 0 3 280.343 2.154 10 0 CEAEHN CN[C@@H]1CCN([C@H](C)c2ccccc2Cl)C1=O ZINC000049659866 522395716 /nfs/dbraw/zinc/39/57/16/522395716.db2.gz OPCGAIYEKCXCLW-BXKDBHETSA-N 0 3 252.745 2.221 10 0 CEAEHN CN[C@@](C)(C[C@H](C)Oc1ccc2ccccc2c1)C(N)=O ZINC000068656933 522423035 /nfs/dbraw/zinc/42/30/35/522423035.db2.gz ZTIGISFGFIGBRH-SJCJKPOMSA-N 0 3 286.375 2.461 10 0 CEAEHN CC[C@@H](C)c1ccccc1OC[C@](NC)(C(N)=O)C1CC1 ZINC000069197823 522439331 /nfs/dbraw/zinc/43/93/31/522439331.db2.gz LGXKYGVBVYHXNU-SJKOYZFVSA-N 0 3 290.407 2.432 10 0 CEAEHN CN[C@H](c1cc(OC)ccc1OC)[C@H]1CCOC1 ZINC000048623567 522477045 /nfs/dbraw/zinc/47/70/45/522477045.db2.gz WYHZEQCUVLJJDX-HZMBPMFUSA-N 0 3 251.326 2.001 10 0 CEAEHN CN[C@](COc1ccc(C(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197021 522530629 /nfs/dbraw/zinc/53/06/29/522530629.db2.gz PHMIXWLIQCVACZ-INIZCTEOSA-N 0 3 276.380 2.042 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000049516071 522546111 /nfs/dbraw/zinc/54/61/11/522546111.db2.gz XSDZTNREUXQURT-LBPRGKRZSA-N 0 3 294.782 2.269 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1ccccc1F)C(F)(F)F ZINC000062784534 522655494 /nfs/dbraw/zinc/65/54/94/522655494.db2.gz MIYOLCUYLFSFKS-NXEZZACHSA-N 0 3 251.223 2.313 10 0 CEAEHN CN(CCNc1ccc(C(N)=S)cc1Cl)C1CC1 ZINC000062796229 522869045 /nfs/dbraw/zinc/86/90/45/522869045.db2.gz NDOZFGMEVSCBDK-UHFFFAOYSA-N 0 3 283.828 2.480 10 0 CEAEHN COC(=O)CCN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000157803167 523070846 /nfs/dbraw/zinc/07/08/46/523070846.db2.gz ZLPIUGNIKTZGGR-LLVKDONJSA-N 0 3 268.382 2.194 10 0 CEAEHN CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631386 523197877 /nfs/dbraw/zinc/19/78/77/523197877.db2.gz VKRRITNLAGWQFA-RDBSUJKOSA-N 0 3 288.457 2.017 10 0 CEAEHN CC[C@H]1CN(c2ncc(CNC3CC3)s2)CCO1 ZINC000054903606 523308126 /nfs/dbraw/zinc/30/81/26/523308126.db2.gz ZVRBFVIOIHKDAO-NSHDSACASA-N 0 3 267.398 2.010 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1c1ncc([C@@H](C)N)s1 ZINC000054898182 523353885 /nfs/dbraw/zinc/35/38/85/523353885.db2.gz SDGYYIGGQXVDEV-BBBLOLIVSA-N 0 3 255.387 2.167 10 0 CEAEHN CN(Cc1ccccc1F)Cc1cccnc1C(=N)N ZINC000061658101 523372008 /nfs/dbraw/zinc/37/20/08/523372008.db2.gz GCCQVLLRHSAOCH-UHFFFAOYSA-N 0 3 272.327 2.137 10 0 CEAEHN CCn1cc(COc2ccc3c(c2)OC[C@H]3NC)cn1 ZINC000062804222 523391946 /nfs/dbraw/zinc/39/19/46/523391946.db2.gz IWOCTUJMQBWPIR-CQSZACIVSA-N 0 3 273.336 2.135 10 0 CEAEHN CCn1cc(Cn2nc(C)c([C@@H](C)NC)c2C)cn1 ZINC000054717910 523399954 /nfs/dbraw/zinc/39/99/54/523399954.db2.gz FZFMVVZJXIUMCF-SNVBAGLBSA-N 0 3 261.373 2.045 10 0 CEAEHN CC[C@@H]1CN(c2nc(C3CC3)c(CN)s2)CCN1C ZINC000069182948 523472994 /nfs/dbraw/zinc/47/29/94/523472994.db2.gz QCHNPXYVABSUQP-LLVKDONJSA-N 0 3 280.441 2.010 10 0 CEAEHN CC[C@](O)(CNCCOC)c1cccc(Cl)c1 ZINC000055033590 523531536 /nfs/dbraw/zinc/53/15/36/523531536.db2.gz IXIUKFBHGNIIGU-ZDUSSCGKSA-N 0 3 257.761 2.174 10 0 CEAEHN CN(c1nc2c(s1)[C@H](O)CCC2)[C@@H]1CCCN(C)C1 ZINC000054911542 523666984 /nfs/dbraw/zinc/66/69/84/523666984.db2.gz LGPJYURXESKLMA-ZYHUDNBSSA-N 0 3 281.425 2.043 10 0 CEAEHN CN1CCC(O)(c2ccccc2OC(F)(F)F)CC1 ZINC000055192397 523781170 /nfs/dbraw/zinc/78/11/70/523781170.db2.gz ZWBAZOZRJVKVDP-UHFFFAOYSA-N 0 3 275.270 2.498 10 0 CEAEHN CN1CCC(Oc2ccc(Cl)cc2C(N)=S)CC1 ZINC000052859352 523783491 /nfs/dbraw/zinc/78/34/91/523783491.db2.gz QPPQNCKORJZPDI-UHFFFAOYSA-N 0 3 284.812 2.447 10 0 CEAEHN COCCNC[C@H](O)c1csc2ccccc21 ZINC000055030705 523943680 /nfs/dbraw/zinc/94/36/80/523943680.db2.gz WNOPEYAJOIFDCJ-LBPRGKRZSA-N 0 3 251.351 2.171 10 0 CEAEHN COCCNCc1cnc(-c2cc(F)ccc2C)nc1 ZINC000054856889 523955954 /nfs/dbraw/zinc/95/59/54/523955954.db2.gz ZXTKCWGHUCGQBS-UHFFFAOYSA-N 0 3 275.327 2.327 10 0 CEAEHN CC[C@H](C)N1CCN(c2cccc(F)c2N)CC1 ZINC000055066634 523960737 /nfs/dbraw/zinc/96/07/37/523960737.db2.gz LJNOUDCZGUSZJM-NSHDSACASA-N 0 3 251.349 2.328 10 0 CEAEHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)C(C)(C)NC ZINC000061300264 524000924 /nfs/dbraw/zinc/00/09/24/524000924.db2.gz RNCPROIDEIZZHI-NSHDSACASA-N 0 3 291.395 2.151 10 0 CEAEHN CC[C@H](C)NC(=O)c1cccc(NC(=O)CNC(C)C)c1 ZINC000066215560 524001735 /nfs/dbraw/zinc/00/17/35/524001735.db2.gz DCRDLLQXQAZVIM-LBPRGKRZSA-N 0 3 291.395 2.151 10 0 CEAEHN CCc1ccc(OCC[C@@H](N)C(N)=O)c(C(C)(C)C)c1 ZINC000062546671 524007105 /nfs/dbraw/zinc/00/71/05/524007105.db2.gz AOCMRQIPRKWWSE-CYBMUJFWSA-N 0 3 278.396 2.128 10 0 CEAEHN COc1ccc(CN(C)c2ncc(CN)s2)cc1 ZINC000054897441 524011440 /nfs/dbraw/zinc/01/14/40/524011440.db2.gz GHYVTGGOPRIBCI-UHFFFAOYSA-N 0 3 263.366 2.247 10 0 CEAEHN COc1ccc(CNC(C)(C)C)c(OCCCO)c1 ZINC000062733158 524068896 /nfs/dbraw/zinc/06/88/96/524068896.db2.gz QMZNJHAOOMFRRV-UHFFFAOYSA-N 0 3 267.369 2.345 10 0 CEAEHN CNC(=O)[C@H](CN)Cc1ccc(-c2ccccc2)cc1 ZINC000050303812 524102676 /nfs/dbraw/zinc/10/26/76/524102676.db2.gz UTTFWEAUCNMNLT-INIZCTEOSA-N 0 3 268.360 2.217 10 0 CEAEHN Cc1cccc(-n2nnnc2CNCC(C)C)c1C ZINC000054744432 524148631 /nfs/dbraw/zinc/14/86/31/524148631.db2.gz VLTPGHTUMQNTDS-UHFFFAOYSA-N 0 3 259.357 2.025 10 0 CEAEHN Cc1cccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000155751295 524207016 /nfs/dbraw/zinc/20/70/16/524207016.db2.gz JWUFMCXVSRCZLB-DZGCQCFKSA-N 0 3 260.381 2.454 10 0 CEAEHN Cc1cc(C)c(CN)c(Sc2nnc3ccccn32)n1 ZINC000061407135 524261140 /nfs/dbraw/zinc/26/11/40/524261140.db2.gz OIMLZRSTPAJMSF-UHFFFAOYSA-N 0 3 285.376 2.351 10 0 CEAEHN C[C@H](CN1CCCCC1)NC(=O)Nc1cccc(N)c1 ZINC000049502607 524331517 /nfs/dbraw/zinc/33/15/17/524331517.db2.gz CVTWCEDDFOSRAW-GFCCVEGCSA-N 0 3 276.384 2.265 10 0 CEAEHN C[C@H](CN1CCCCC1)N1C(=S)N=NC1C1CC1 ZINC000049502284 524335357 /nfs/dbraw/zinc/33/53/57/524335357.db2.gz WDYDNJMMDDEWHZ-SNVBAGLBSA-N 0 3 266.414 2.491 10 0 CEAEHN C[C@@H]1CCC[C@H](C)N1C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051093479 524361371 /nfs/dbraw/zinc/36/13/71/524361371.db2.gz LNLCENHZWCOMCN-DTORHVGOSA-N 0 3 282.775 2.424 10 0 CEAEHN Cc1cccc(CN(C)Cc2cccnc2C(=N)N)c1 ZINC000061658097 524376729 /nfs/dbraw/zinc/37/67/29/524376729.db2.gz COMJDWOYPODCEZ-UHFFFAOYSA-N 0 3 268.364 2.306 10 0 CEAEHN Cc1ccc(CN(C)Cc2ccnc(C(=N)N)c2)cc1 ZINC000068761062 524396210 /nfs/dbraw/zinc/39/62/10/524396210.db2.gz UHJDXAWQYVJXTN-UHFFFAOYSA-N 0 3 268.364 2.306 10 0 CEAEHN Cc1cccc(CSCC[C@H](NC(C)C)C(N)=O)c1 ZINC000062604127 524460914 /nfs/dbraw/zinc/46/09/14/524460914.db2.gz ZDMGDBOCKPOHET-AWEZNQCLSA-N 0 3 280.437 2.470 10 0 CEAEHN C[C@@H]1CCN(C(=O)[C@@H](CN)c2ccccc2)[C@@H](C)C1 ZINC000061613353 524475023 /nfs/dbraw/zinc/47/50/23/524475023.db2.gz NMRYCYMGGLQYIF-IPYPFGDCSA-N 0 3 260.381 2.376 10 0 CEAEHN COc1ccccc1N(C)C(=O)[C@@H]1NCCC[C@@H]1C ZINC000051813172 524523519 /nfs/dbraw/zinc/52/35/19/524523519.db2.gz BJACGFHDFMVACW-SMDDNHRTSA-N 0 3 262.353 2.046 10 0 CEAEHN Cc1cc(C)nc(SCc2ccnc(CN)c2)n1 ZINC000068752333 524602677 /nfs/dbraw/zinc/60/26/77/524602677.db2.gz RYNCBYGQOQHUBZ-UHFFFAOYSA-N 0 3 260.366 2.239 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(N)ccc1F ZINC000049500460 524604615 /nfs/dbraw/zinc/60/46/15/524604615.db2.gz GHNXNIYHULLFSL-NSHDSACASA-N 0 3 279.359 2.012 10 0 CEAEHN C[C@H](C[C@@](C)(N)C(N)=O)Oc1cccc(C(C)(C)C)c1 ZINC000068657529 524631122 /nfs/dbraw/zinc/63/11/22/524631122.db2.gz RMABWROKANZSQE-BDJLRTHQSA-N 0 3 278.396 2.344 10 0 CEAEHN C[C@H]1COCCN1Cc1occc1CNC(C)(C)C ZINC000052475798 524724903 /nfs/dbraw/zinc/72/49/03/524724903.db2.gz BCYJGAADOWRQHR-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN Cc1cccc(O[C@@H](C)C[C@@](C)(NC(C)C)C(N)=O)c1 ZINC000068656273 524777336 /nfs/dbraw/zinc/77/73/36/524777336.db2.gz KEMNMKAZSNHBRD-XJKSGUPXSA-N 0 3 278.396 2.394 10 0 CEAEHN Cc1ccc(F)c([C@H](N)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000052981719 524836261 /nfs/dbraw/zinc/83/62/61/524836261.db2.gz QOMAQHBZKOVTNT-CQSZACIVSA-N 0 3 271.295 2.352 10 0 CEAEHN C[C@H]([NH3+])[C@]([O-])(c1ccc(F)c(F)c1F)C(F)(F)F ZINC000062784775 524862542 /nfs/dbraw/zinc/86/25/42/524862542.db2.gz YESHPFDKCCHYAN-IGJIYHIXSA-N 0 3 273.176 2.201 10 0 CEAEHN C[C@H](N)c1ccc(F)cc1OC[C@H](O)C(F)(F)F ZINC000068877951 524864241 /nfs/dbraw/zinc/86/42/41/524864241.db2.gz VYDUFZKEEOZDLZ-WKEGUHRASA-N 0 3 267.222 2.147 10 0 CEAEHN C[C@H](N)c1ccc(F)cc1OCCCC(=O)N(C)C ZINC000062745302 524865035 /nfs/dbraw/zinc/86/50/35/524865035.db2.gz GHXZEYSIXWPXOS-JTQLQIEISA-N 0 3 268.332 2.093 10 0 CEAEHN Cc1ccc(NC(=O)CN[C@@H](CC(C)C)CN(C)C)cc1 ZINC000049556010 525062043 /nfs/dbraw/zinc/06/20/43/525062043.db2.gz RLDWOOCARASBCW-INIZCTEOSA-N 0 3 291.439 2.499 10 0 CEAEHN C[C@@H]1CN(c2nc3c(s2)[C@H](N)CCC3)C[C@@H](C)O1 ZINC000054864258 525074149 /nfs/dbraw/zinc/07/41/49/525074149.db2.gz OZJADPGQYOVEHT-OPRDCNLKSA-N 0 3 267.398 2.093 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)CCCc1ccccc1 ZINC000069133101 525095572 /nfs/dbraw/zinc/09/55/72/525095572.db2.gz GPCJJNBXCPNVET-ZIAGYGMSSA-N 0 3 260.381 2.218 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)C(C)(C)c1ccccc1 ZINC000069133372 525095790 /nfs/dbraw/zinc/09/57/90/525095790.db2.gz VWXSCBFGEFUSEC-CHWSQXEVSA-N 0 3 260.381 2.173 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc(Cl)cc1F ZINC000069133275 525097136 /nfs/dbraw/zinc/09/71/36/525097136.db2.gz ZQDCSYHMOMQQLX-RKDXNWHRSA-N 0 3 270.735 2.302 10 0 CEAEHN COc1ccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000050596416 525179245 /nfs/dbraw/zinc/17/92/45/525179245.db2.gz PHIFOCATIACCDV-VNHYZAJKSA-N 0 3 278.396 2.113 10 0 CEAEHN COc1ccc([C@@H](N)c2cccnc2OC)c(C)c1 ZINC000061443298 525192926 /nfs/dbraw/zinc/19/29/26/525192926.db2.gz WHFVFCKNXNDPGA-CQSZACIVSA-N 0 3 258.321 2.455 10 0 CEAEHN C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCCO1 ZINC000155680932 525228354 /nfs/dbraw/zinc/22/83/54/525228354.db2.gz DCVOZIHWHXEPNB-WFASDCNBSA-N 0 3 276.380 2.046 10 0 CEAEHN Cc1ccccc1NC(=O)CN[C@@H](C)CN1CCCC1 ZINC000049180367 525238380 /nfs/dbraw/zinc/23/83/80/525238380.db2.gz XFHFQAOUKDOATF-AWEZNQCLSA-N 0 3 275.396 2.007 10 0 CEAEHN Cc1ccccc1NC(=O)CN[C@H](CC(C)C)CN(C)C ZINC000049556015 525239359 /nfs/dbraw/zinc/23/93/59/525239359.db2.gz FADDWHBQXUOJLA-OAHLLOKOSA-N 0 3 291.439 2.499 10 0 CEAEHN Cc1cc(NCCN2CCCCC2)nc(Cl)n1 ZINC000052814696 525269551 /nfs/dbraw/zinc/26/95/51/525269551.db2.gz IDAKTTGESQXUBO-UHFFFAOYSA-N 0 3 254.765 2.336 10 0 CEAEHN Cc1cc(N[C@H](CN(C)C)C(C)C)nc(Cl)n1 ZINC000052814633 525301657 /nfs/dbraw/zinc/30/16/57/525301657.db2.gz KCDRRKRKNUEOGA-SNVBAGLBSA-N 0 3 256.781 2.437 10 0 CEAEHN Cc1nc[nH]c1CN[C@@H]1CCN(Cc2ccccc2)C1 ZINC000054795431 525463689 /nfs/dbraw/zinc/46/36/89/525463689.db2.gz NTHHCJBSAIONOL-OAHLLOKOSA-N 0 3 270.380 2.082 10 0 CEAEHN CSCCCNCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000069443441 525480606 /nfs/dbraw/zinc/48/06/06/525480606.db2.gz LBSLBUCPEAXSAR-UHFFFAOYSA-N 0 3 297.449 2.444 10 0 CEAEHN Cc1c(N)cccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000049550942 525818849 /nfs/dbraw/zinc/81/88/49/525818849.db2.gz LIOLVGQADHRBEC-CYBMUJFWSA-N 0 3 277.412 2.283 10 0 CEAEHN COc1cccc(C(=O)Nc2cc(C[NH3+])ccc2C)c1[O-] ZINC000050430644 525831388 /nfs/dbraw/zinc/83/13/88/525831388.db2.gz IWTBBVBLPQRPGY-UHFFFAOYSA-N 0 3 286.331 2.420 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@](C)(N)C2CC2)s1 ZINC000049185491 525908820 /nfs/dbraw/zinc/90/88/20/525908820.db2.gz CGNJQNKMHQMHQX-TVQRCGJNSA-N 0 3 252.383 2.361 10 0 CEAEHN C[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1cn(C)c2ccccc12 ZINC000185304403 525997324 /nfs/dbraw/zinc/99/73/24/525997324.db2.gz UHRWCKKNPDIDHK-KBPBESRZSA-N 0 3 299.418 2.444 10 0 CEAEHN Cc1cnc(SCc2nc(NN)ccc2Cl)nc1 ZINC000061640259 526103467 /nfs/dbraw/zinc/10/34/67/526103467.db2.gz PWYKMBGSWQTMQS-UHFFFAOYSA-N 0 3 281.772 2.411 10 0 CEAEHN C[C@H](C(=O)c1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000062981489 526192419 /nfs/dbraw/zinc/19/24/19/526192419.db2.gz LYMAOYKAVGPYAX-ZBFHGGJFSA-N 0 3 272.392 2.428 10 0 CEAEHN COc1cccc(O[C@@H](C)C[C@@](C)(NC(C)C)C(N)=O)c1 ZINC000068655595 526238995 /nfs/dbraw/zinc/23/89/95/526238995.db2.gz LMXFFIPUQPCVLD-BLLLJJGKSA-N 0 3 294.395 2.095 10 0 CEAEHN Cc1ccc2nc(CN3CCC[C@H]3CCCO)cn2c1 ZINC000052763068 526247637 /nfs/dbraw/zinc/24/76/37/526247637.db2.gz QBWRDRKCYXZJNH-HNNXBMFYSA-N 0 3 273.380 2.380 10 0 CEAEHN Cc1csc(CNC[C@H]2Cc3ccccc3CN2)n1 ZINC000049539147 526358634 /nfs/dbraw/zinc/35/86/34/526358634.db2.gz YZICOAAAGZXYBM-CQSZACIVSA-N 0 3 273.405 2.256 10 0 CEAEHN Cc1csc(SCc2cccnc2C(=N)N)n1 ZINC000061658959 526399701 /nfs/dbraw/zinc/39/97/01/526399701.db2.gz HKTAMRVAKQQTCY-UHFFFAOYSA-N 0 3 264.379 2.423 10 0 CEAEHN O=C(c1ccc([O-])cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189430 526702916 /nfs/dbraw/zinc/70/29/16/526702916.db2.gz AQEDGIGFLPBUMW-GJZGRUSLSA-N 0 3 274.364 2.139 10 0 CEAEHN O=C(c1ccc2c(c1)CNC2)N1CCc2ccccc21 ZINC000156645056 526723986 /nfs/dbraw/zinc/72/39/86/526723986.db2.gz LFYRAMADPHTQJW-UHFFFAOYSA-N 0 3 264.328 2.493 10 0 CEAEHN Cc1ncc(CN[C@@H](C)c2ccc3c(c2)OCCO3)[nH]1 ZINC000054821959 526890740 /nfs/dbraw/zinc/89/07/40/526890740.db2.gz QQDNQWSTHDDVAD-JTQLQIEISA-N 0 3 273.336 2.340 10 0 CEAEHN Cc1nc(COc2ccc3c(c2)OC[C@H]3N)cs1 ZINC000062803756 526908396 /nfs/dbraw/zinc/90/83/96/526908396.db2.gz GPEIHKPLKUWIFV-GFCCVEGCSA-N 0 3 262.334 2.423 10 0 CEAEHN Cc1nc(Cc2ncc(CNC3CC3)cn2)cs1 ZINC000055296850 526929138 /nfs/dbraw/zinc/92/91/38/526929138.db2.gz XCJOCMKXXXQUJR-UHFFFAOYSA-N 0 3 260.366 2.084 10 0 CEAEHN Cc1nc(Cl)cc(N[C@H](CN(C)C)C(C)C)n1 ZINC000052836745 526935669 /nfs/dbraw/zinc/93/56/69/526935669.db2.gz QFCLLRLMZDDKHK-SNVBAGLBSA-N 0 3 256.781 2.437 10 0 CEAEHN NCc1cc(COc2ccc3c(c2)CCC(=O)N3)ccn1 ZINC000068751185 527247271 /nfs/dbraw/zinc/24/72/71/527247271.db2.gz CVUHBQYJEDJAFK-UHFFFAOYSA-N 0 3 283.331 2.004 10 0 CEAEHN NCc1cnn(Cc2ccc(F)cc2Br)c1 ZINC000054716754 527263504 /nfs/dbraw/zinc/26/35/04/527263504.db2.gz ZCCRYVSGJVCGNR-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN NCc1ncccc1CN1CCc2ccccc2C1 ZINC000061656462 527265815 /nfs/dbraw/zinc/26/58/15/527265815.db2.gz QBRBAPRRVPHDRP-UHFFFAOYSA-N 0 3 253.349 2.099 10 0 CEAEHN N[C@H](c1cc(Cl)sc1Cl)[C@H]1COCCO1 ZINC000055299147 527391485 /nfs/dbraw/zinc/39/14/85/527391485.db2.gz YSGRDYIXINLHID-HTRCEHHLSA-N 0 3 268.165 2.470 10 0 CEAEHN Cc1nn(C)c(-n2ccc(C3CC3)n2)c1CNC1CC1 ZINC000052884824 527597210 /nfs/dbraw/zinc/59/72/10/527597210.db2.gz ZAWGWRQXMJCSGM-UHFFFAOYSA-N 0 3 271.368 2.044 10 0 CEAEHN OC[C@H]1CCCC[C@H]1NCc1cncc(Br)c1 ZINC000183716142 527614966 /nfs/dbraw/zinc/61/49/66/527614966.db2.gz BGVCPNGJNJRQDA-DGCLKSJQSA-N 0 3 299.212 2.485 10 0 CEAEHN FC(F)(F)CO[C@@H]1CCC[C@H](NCc2cnccn2)C1 ZINC000054766388 527671532 /nfs/dbraw/zinc/67/15/32/527671532.db2.gz SKERBUGKCTUALI-CMPLNLGQSA-N 0 3 289.301 2.456 10 0 CEAEHN CC(C)CC(C)(C)CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000175915739 527677938 /nfs/dbraw/zinc/67/79/38/527677938.db2.gz VLGBNCQJWPZMGL-ZDUSSCGKSA-N 0 3 269.433 2.404 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC000178535902 529051778 /nfs/dbraw/zinc/05/17/78/529051778.db2.gz XMDYBQTXAXWNDY-CQSZACIVSA-N 0 3 296.361 2.498 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)C2(C)CC2)C1 ZINC000176440036 529054770 /nfs/dbraw/zinc/05/47/70/529054770.db2.gz INIUEDUJLPHQJJ-QWHCGFSZSA-N 0 3 267.417 2.301 10 0 CEAEHN CCN1CCC[C@H](Nc2cc(OC(C)C)ncn2)C1 ZINC000090793270 529092439 /nfs/dbraw/zinc/09/24/39/529092439.db2.gz MIJQUCHLHOJJFR-LBPRGKRZSA-N 0 3 264.373 2.160 10 0 CEAEHN CCn1cccc1CN[C@@H]1CCCN(c2ncccn2)C1 ZINC000091024684 536102074 /nfs/dbraw/zinc/10/20/74/536102074.db2.gz VSWGSLKYVZNQPO-CQSZACIVSA-N 0 3 285.395 2.057 10 0 CEAEHN C[C@@H]1C[C@H](C)CN(S(=O)(=O)C[C@H](N)CC(C)(C)C)C1 ZINC000757152065 574510868 /nfs/dbraw/zinc/51/08/68/574510868.db2.gz SDAUWVPJNYEZQG-FRRDWIJNSA-N 0 3 290.473 2.058 10 0 CEAEHN C[C@@H]1[C@H](NC(=O)n2ccnc2)CCN1Cc1ccccc1 ZINC000309865302 625338509 /nfs/dbraw/zinc/33/85/09/625338509.db2.gz FGGNKNWLQJIWES-UKRRQHHQSA-N 0 3 284.363 2.104 10 0 CEAEHN CCN1CCO[C@H](CNCc2cc(Cl)cs2)C1 ZINC000165936276 627627050 /nfs/dbraw/zinc/62/70/50/627627050.db2.gz DFYGDMRYSYOFMQ-LLVKDONJSA-N 0 3 274.817 2.212 10 0 CEAEHN COC(=O)c1ccc(CN2CCC[C@H](C(C)=O)C2)cc1 ZINC000111712955 627831121 /nfs/dbraw/zinc/83/11/21/627831121.db2.gz WYYBOUYAKSSQGW-HNNXBMFYSA-N 0 3 275.348 2.274 10 0 CEAEHN COC(=O)[C@H]1CCCN(CCOc2ccc(C)cc2)C1 ZINC000066835573 628217513 /nfs/dbraw/zinc/21/75/13/628217513.db2.gz PSNSJBATSOGQKL-AWEZNQCLSA-N 0 3 277.364 2.259 10 0 CEAEHN FC(F)C(F)(F)CN1CCN2CCCC[C@@H]2C1 ZINC000226200723 628901403 /nfs/dbraw/zinc/90/14/03/628901403.db2.gz VJZMAGSWLZTKQE-SECBINFHSA-N 0 3 254.271 2.057 10 0 CEAEHN CC(C)CCCCCCNC(=O)[C@H](N)C1CCOCC1 ZINC000261606441 628946234 /nfs/dbraw/zinc/94/62/34/628946234.db2.gz AQBPZPBEZNRKME-OAHLLOKOSA-N 0 3 284.444 2.463 10 0 CEAEHN CCc1ccc([C@H](C)NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000236977305 629144194 /nfs/dbraw/zinc/14/41/94/629144194.db2.gz UFKWZWPBVFILQA-BBRMVZONSA-N 0 3 290.407 2.195 10 0 CEAEHN Cc1cnc([C@H](C)NC(=O)[C@H](N)CC2CCCCC2)o1 ZINC000261778501 629190048 /nfs/dbraw/zinc/19/00/48/629190048.db2.gz PHXNXBFQIMWHNB-WCQYABFASA-N 0 3 279.384 2.458 10 0 CEAEHN C[C@@H](NC[C@H]1COC(C)(C)O1)c1cncc(F)c1 ZINC000231618946 639868742 /nfs/dbraw/zinc/86/87/42/639868742.db2.gz OJAVYRNYZHLSDQ-SKDRFNHKSA-N 0 3 254.305 2.023 10 0 CEAEHN COC(=O)C[C@H](N)c1csc(Br)c1 ZINC000238364661 641474194 /nfs/dbraw/zinc/47/41/94/641474194.db2.gz IUNQPFLHGGAXSV-LURJTMIESA-N 0 3 264.144 2.074 10 0 CEAEHN COC[C@H](C)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000117094029 645667888 /nfs/dbraw/zinc/66/78/88/645667888.db2.gz MPMOJPLIFOEAEM-DZGCQCFKSA-N 0 3 277.364 2.087 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@H]2CCCS2(=O)=O)c1 ZINC000126983687 651041246 /nfs/dbraw/zinc/04/12/46/651041246.db2.gz HDQPIEPIRRDDQH-GXTWGEPZSA-N 0 3 267.394 2.223 10 0 CEAEHN Cc1cccc(S(=O)(=O)[C@@H]2CCCCC[C@H]2N)c1 ZINC000081986937 177913339 /nfs/dbraw/zinc/91/33/39/177913339.db2.gz IHTBTGSNTJNHJL-ZIAGYGMSSA-N 0 3 267.394 2.429 10 0 CEAEHN Clc1cc(Br)ccc1NC1=NCCN1 ZINC000095777254 185028365 /nfs/dbraw/zinc/02/83/65/185028365.db2.gz NIANTPSGFAVJCF-UHFFFAOYSA-N 0 3 274.549 2.474 10 0 CEAEHN Cc1noc([C@H](C)N2CCN(C[C@@H]3CC=CCC3)CC2)n1 ZINC000121257437 365541959 /nfs/dbraw/zinc/54/19/59/365541959.db2.gz CGKWNEPXJBTQCL-DZGCQCFKSA-N 0 3 290.411 2.413 10 0 CEAEHN Cn1cnnc1Sc1cc(Br)ccc1CN ZINC000082616005 178126774 /nfs/dbraw/zinc/12/67/74/178126774.db2.gz AXQKMJRJYGCJRI-UHFFFAOYSA-N 0 3 299.197 2.188 10 0 CEAEHN C[C@@H](N)c1cnc2c(Br)cc(F)cn12 ZINC000082693657 178188087 /nfs/dbraw/zinc/18/80/87/178188087.db2.gz LASGPCAGRHGELM-RXMQYKEDSA-N 0 3 258.094 2.256 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000036872767 361866101 /nfs/dbraw/zinc/86/61/01/361866101.db2.gz PISLPRHBKDUXCS-SECBINFHSA-N 0 3 286.759 2.423 10 0 CEAEHN C[C@@H]1C[C@@]2(CN1C)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005304 185150526 /nfs/dbraw/zinc/15/05/26/185150526.db2.gz DPBKPPQLSFUTSC-IUPBHXKESA-N 0 3 251.301 2.104 10 0 CEAEHN CCc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCCOC)cc1 ZINC000037980704 361971258 /nfs/dbraw/zinc/97/12/58/361971258.db2.gz LRXPFLRGKMGVRU-KGLIPLIRSA-N 0 3 292.423 2.441 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000125564688 187191456 /nfs/dbraw/zinc/19/14/56/187191456.db2.gz QFIWUNJSIDHIPT-ZIAGYGMSSA-N 0 3 297.443 2.070 10 0 CEAEHN C[C@H](C(=O)N1CCC2(CC1)CNC[C@@H](C)O2)C(C)(C)C ZINC000725271320 539215223 /nfs/dbraw/zinc/21/52/23/539215223.db2.gz CFUPHRNMFADUSR-CHWSQXEVSA-N 0 3 282.428 2.038 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)c1c(C)noc1C ZINC000245432353 539301102 /nfs/dbraw/zinc/30/11/02/539301102.db2.gz ODMVVJWMYORQIQ-RISCZKNCSA-N 0 3 293.411 2.338 10 0 CEAEHN CCN(CC)CCOC(=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000029412321 343400095 /nfs/dbraw/zinc/40/00/95/343400095.db2.gz UFNOFMWCLJLPJI-CQSZACIVSA-N 0 3 299.798 2.301 10 0 CEAEHN NC[C@H](O)c1cc(OCc2ccccc2)ccc1F ZINC000032241363 343412133 /nfs/dbraw/zinc/41/21/33/343412133.db2.gz FGGDZWZPCNKFGE-HNNXBMFYSA-N 0 3 261.296 2.397 10 0 CEAEHN O[C@H](COc1cccc2c1CCC2)CN1CCCCC1 ZINC000033856449 343418142 /nfs/dbraw/zinc/41/81/42/343418142.db2.gz OSQXNJFIVXOZLL-HNNXBMFYSA-N 0 3 275.392 2.401 10 0 CEAEHN c1ccc(COc2cccnc2N2CCNCC2)cc1 ZINC000034524149 343419951 /nfs/dbraw/zinc/41/99/51/343419951.db2.gz QFARDZKELOPFLC-UHFFFAOYSA-N 0 3 269.348 2.070 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007719 343425123 /nfs/dbraw/zinc/42/51/23/343425123.db2.gz QIHFJHXDBSRYRR-QPUJVOFHSA-N 0 3 256.296 2.269 10 0 CEAEHN CCN(CC)c1ncc(CN[C@@H]2CCC[C@H](O)C2)s1 ZINC000037321084 343426736 /nfs/dbraw/zinc/42/67/36/343426736.db2.gz FVTODKCMJLCJDD-NEPJUHHUSA-N 0 3 283.441 2.382 10 0 CEAEHN CC(C)CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000047617405 362217442 /nfs/dbraw/zinc/21/74/42/362217442.db2.gz QWQFTCSNAQPKOE-CQSZACIVSA-N 0 3 263.385 2.245 10 0 CEAEHN CCCn1ccc(CN[C@@H](C)CC[S@](C)=O)c1 ZINC000128026051 187346693 /nfs/dbraw/zinc/34/66/93/187346693.db2.gz LMMHDESHDYZSNF-YVEFUNNKSA-N 0 3 256.415 2.145 10 0 CEAEHN Cn1cc([C@H](N)Cc2ccc(Br)s2)cn1 ZINC000083572613 178582954 /nfs/dbraw/zinc/58/29/54/178582954.db2.gz WUOGMGXAISIAAH-SECBINFHSA-N 0 3 286.198 2.487 10 0 CEAEHN COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(C)c(F)c1 ZINC000114031463 344278877 /nfs/dbraw/zinc/27/88/77/344278877.db2.gz BGDRSBWHWDRRJM-CHWSQXEVSA-N 0 3 265.328 2.342 10 0 CEAEHN COC(=O)c1sccc1NC1CCN(C)CC1 ZINC000117648106 344289693 /nfs/dbraw/zinc/28/96/93/344289693.db2.gz ZTFUVGKVCNIWQU-UHFFFAOYSA-N 0 3 254.355 2.041 10 0 CEAEHN COC(=O)c1cc(N2CCNCC2)cc2ccccc21 ZINC000118173700 344290773 /nfs/dbraw/zinc/29/07/73/344290773.db2.gz DMZOVLVUTDUJDX-UHFFFAOYSA-N 0 3 270.332 2.036 10 0 CEAEHN Cc1ccc(NC(=O)C(C)(C)N2CCNCC2)c(Cl)c1 ZINC000129596765 344345047 /nfs/dbraw/zinc/34/50/47/344345047.db2.gz MLOBGYPCCFMWTL-UHFFFAOYSA-N 0 3 295.814 2.271 10 0 CEAEHN C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000139232477 344392976 /nfs/dbraw/zinc/39/29/76/344392976.db2.gz RDPZKXDYIINIOF-PWSUYJOCSA-N 0 3 297.349 2.419 10 0 CEAEHN NC[C@@H](c1ccc(Br)s1)N1CCCO1 ZINC000164184133 344472170 /nfs/dbraw/zinc/47/21/70/344472170.db2.gz BZIRYBLKJUOLKX-ZETCQYMHSA-N 0 3 277.187 2.148 10 0 CEAEHN CC(C)(N)C(=O)Cc1cccc(F)c1Br ZINC000168679035 344481153 /nfs/dbraw/zinc/48/11/53/344481153.db2.gz LUCRJTVFHFAOFQ-UHFFFAOYSA-N 0 3 274.133 2.437 10 0 CEAEHN CC(C)(C)OC(=O)NCc1ccc(F)c(CN)c1 ZINC000169237046 344481578 /nfs/dbraw/zinc/48/15/78/344481578.db2.gz SDQRQPDYKFIXNN-UHFFFAOYSA-N 0 3 254.305 2.309 10 0 CEAEHN COC(=O)[C@H]1CN([C@@H](C)CCc2ccccc2)CCC1=O ZINC000169676081 344481802 /nfs/dbraw/zinc/48/18/02/344481802.db2.gz XHPMCCKALVVASY-ZFWWWQNUSA-N 0 3 289.375 2.072 10 0 CEAEHN Cc1ccc(CCNC(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000170834515 344490910 /nfs/dbraw/zinc/49/09/10/344490910.db2.gz JQEOKLDCEXAYNO-MRXNPFEDSA-N 0 3 289.423 2.191 10 0 CEAEHN Cc1ccc(SCC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170861126 344491872 /nfs/dbraw/zinc/49/18/72/344491872.db2.gz MQIYOMHVSNBOCQ-ZDUSSCGKSA-N 0 3 278.421 2.250 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)C1CCCCC1 ZINC000173912299 344497817 /nfs/dbraw/zinc/49/78/17/344497817.db2.gz LUHMYANSXIDTQA-GXTWGEPZSA-N 0 3 267.417 2.301 10 0 CEAEHN C[C@@H](NC[C@H](O)COC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000192477542 344517154 /nfs/dbraw/zinc/51/71/54/344517154.db2.gz KCMGXPGXHXMPOQ-YPMHNXCESA-N 0 3 295.379 2.242 10 0 CEAEHN C[C@H](N)c1ccn(-c2ccc(C(F)(F)F)nc2)n1 ZINC000226124343 344548681 /nfs/dbraw/zinc/54/86/81/344548681.db2.gz FQJYEKLFRLGGDG-ZETCQYMHSA-N 0 3 256.231 2.306 10 0 CEAEHN Brc1csc(CC[C@@H]2COCCN2)c1 ZINC000229872140 344569428 /nfs/dbraw/zinc/56/94/28/344569428.db2.gz HZRHCEJFOJLVPK-SECBINFHSA-N 0 3 276.199 2.432 10 0 CEAEHN C[C@@H](N[C@@H]1CCCNC1=O)c1cccc(Br)c1 ZINC000050394412 362418142 /nfs/dbraw/zinc/41/81/42/362418142.db2.gz RJJDWDDCGXCURX-BXKDBHETSA-N 0 3 297.196 2.378 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC2(CC1)NCCCS2 ZINC000300894552 344701895 /nfs/dbraw/zinc/70/18/95/344701895.db2.gz UZTCWOUTBINFTG-UHFFFAOYSA-N 0 3 272.414 2.440 10 0 CEAEHN C[C@H]1[C@@H](Nc2cnc(N)cn2)CCN1Cc1ccccc1 ZINC000306605912 344715654 /nfs/dbraw/zinc/71/56/54/344715654.db2.gz QMJJPIHEZCIAHI-JSGCOSHPSA-N 0 3 283.379 2.134 10 0 CEAEHN C[C@@]1(C(=O)NC[C@@H]2CC3CCC2CC3)CCCCN1 ZINC000400130396 344860671 /nfs/dbraw/zinc/86/06/71/344860671.db2.gz URPTWMSWWCDTDV-UJJWPFCGSA-N 0 3 264.413 2.461 10 0 CEAEHN Oc1csc(N2CCC=C(Br)C2)n1 ZINC000404373092 344880296 /nfs/dbraw/zinc/88/02/96/344880296.db2.gz CPXKODWIURKPGB-UHFFFAOYSA-N 0 3 261.144 2.338 10 0 CEAEHN CCN(CC)CCN(C)N[C@H](C)Cc1ccccc1 ZINC000584601725 344963080 /nfs/dbraw/zinc/96/30/80/344963080.db2.gz MVYDUHOBDUCMIS-OAHLLOKOSA-N 0 3 263.429 2.396 10 0 CEAEHN Cc1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1C ZINC000128234224 187359470 /nfs/dbraw/zinc/35/94/70/187359470.db2.gz AWYHSINZGXKISM-INIZCTEOSA-N 0 3 262.397 2.066 10 0 CEAEHN NCc1ccc(CS(=O)(=O)c2cccs2)cc1 ZINC000084269102 178836107 /nfs/dbraw/zinc/83/61/07/178836107.db2.gz YIWAWTJFEYNSOT-UHFFFAOYSA-N 0 3 267.375 2.181 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000057870257 362597676 /nfs/dbraw/zinc/59/76/76/362597676.db2.gz OBTJBWAWZPWGLD-MJBXVCDLSA-N 0 3 267.417 2.158 10 0 CEAEHN CCn1ccnc1[C@@H](CCc1c(C)nn(C)c1C)NC ZINC000097191777 185558279 /nfs/dbraw/zinc/55/82/79/185558279.db2.gz GAVQACVZMDMKHN-CQSZACIVSA-N 0 3 275.400 2.147 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nc(C2CCCC2)no1 ZINC000153696270 232225148 /nfs/dbraw/zinc/22/51/48/232225148.db2.gz SAIZZCNJAKSULY-TZMCWYRMSA-N 0 3 290.411 2.396 10 0 CEAEHN CCN1CCC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000060452600 362661962 /nfs/dbraw/zinc/66/19/62/362661962.db2.gz KJQDCUPVKGCLHD-SECBINFHSA-N 0 3 274.290 2.392 10 0 CEAEHN CN[C@H](Cc1ncnn1CC(C)C)c1cncc(C)c1 ZINC000097278496 185578176 /nfs/dbraw/zinc/57/81/76/185578176.db2.gz WQSXVTSKPYWXPZ-CQSZACIVSA-N 0 3 273.384 2.141 10 0 CEAEHN CCN[C@@H](Cc1c(C)nn(C)c1Cl)c1ccnn1C ZINC000097391689 185597539 /nfs/dbraw/zinc/59/75/39/185597539.db2.gz MPWYVBOWBCYVED-NSHDSACASA-N 0 3 281.791 2.009 10 0 CEAEHN COc1ccc(SC[C@@](C)(CO)NC2CC2)cc1 ZINC000085291930 179007103 /nfs/dbraw/zinc/00/71/03/179007103.db2.gz HVUPNAJCXYAPFK-CQSZACIVSA-N 0 3 267.394 2.290 10 0 CEAEHN CC1(C)CN(c2nccc(CN)c2F)CCS1 ZINC000097879721 136523238 /nfs/dbraw/zinc/52/32/38/136523238.db2.gz FRZZAQDGNINCCS-UHFFFAOYSA-N 0 3 255.362 2.011 10 0 CEAEHN COCCN1C[C@H](c2ccccc2)NC[C@@H]1C1CC1 ZINC000085507086 179084368 /nfs/dbraw/zinc/08/43/68/179084368.db2.gz ACMNNCICFZBNOV-HZPDHXFCSA-N 0 3 260.381 2.058 10 0 CEAEHN C[C@H]1CN[C@](C)(c2ccccc2)CN1CC(F)F ZINC000085531606 179091742 /nfs/dbraw/zinc/09/17/42/179091742.db2.gz CHUHRFTYHJMDLN-FZMZJTMJSA-N 0 3 254.324 2.461 10 0 CEAEHN Cc1ccc(F)c(OC[C@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000085560117 179093781 /nfs/dbraw/zinc/09/37/81/179093781.db2.gz GNUXRYKXMUFLHW-MRXNPFEDSA-N 0 3 294.370 2.145 10 0 CEAEHN CN(C)c1ccncc1N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085632082 179108475 /nfs/dbraw/zinc/10/84/75/179108475.db2.gz FBFQGZZIBKNDMY-GDLCADMTSA-N 0 3 261.369 2.373 10 0 CEAEHN CC(C)c1nn(C)cc1CNC[C@H]1CCCC[C@H]1O ZINC000085973485 179207076 /nfs/dbraw/zinc/20/70/76/179207076.db2.gz PFVRYLMFGRMVCC-TZMCWYRMSA-N 0 3 265.401 2.184 10 0 CEAEHN CN[C@H](CCO)C[S@](=O)c1cc(Cl)ccc1Cl ZINC000085926735 179202172 /nfs/dbraw/zinc/20/21/72/179202172.db2.gz CVXQWVONMAGLJP-VVVCHXIZSA-N 0 3 296.219 2.071 10 0 CEAEHN CCCCc1ccc([C@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020045 179217673 /nfs/dbraw/zinc/21/76/73/179217673.db2.gz CNYMYSUPKSPQBD-GJZGRUSLSA-N 0 3 281.421 2.464 10 0 CEAEHN C[C@H]1[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CC[C@@H]1C ZINC000086076484 179226055 /nfs/dbraw/zinc/22/60/55/179226055.db2.gz LUTGZTCGWDFWGE-MYZSUADSSA-N 0 3 260.381 2.107 10 0 CEAEHN N[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000086020258 179218157 /nfs/dbraw/zinc/21/81/57/179218157.db2.gz JYKGUWLCPPISNZ-HQJQHLMTSA-N 0 3 294.203 2.428 10 0 CEAEHN C[C@@H]1CN[C@](C)(c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265221 179262285 /nfs/dbraw/zinc/26/22/85/179262285.db2.gz JLLFEPIUGLKBMW-OIISXLGYSA-N 0 3 274.408 2.375 10 0 CEAEHN COc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128611185 187380083 /nfs/dbraw/zinc/38/00/83/187380083.db2.gz TYZAWJDRMWHRQZ-OAHLLOKOSA-N 0 3 286.379 2.199 10 0 CEAEHN CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3N)CCO1 ZINC000086442756 179293667 /nfs/dbraw/zinc/29/36/67/179293667.db2.gz ASVJDVFURYCQEG-ZJUUUORDSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cccc(C)c2O)[C@@H](CC)CN1 ZINC000086445990 179294874 /nfs/dbraw/zinc/29/48/74/179294874.db2.gz PQLAMFVHDIAWFR-STQMWFEESA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@@H]1CN(C(=O)CCc2ccco2)[C@@H](CC)CN1 ZINC000086447328 179295763 /nfs/dbraw/zinc/29/57/63/179295763.db2.gz HVLLWMJFWPWADI-OLZOCXBDSA-N 0 3 264.369 2.201 10 0 CEAEHN CCCC1(CCC)CC(CNC)(S(C)(=O)=O)C1 ZINC000086541665 179307234 /nfs/dbraw/zinc/30/72/34/179307234.db2.gz KGNJTJSUEWFSMP-UHFFFAOYSA-N 0 3 261.431 2.370 10 0 CEAEHN C[C@@H]1CN(c2cscc2Br)CCN1 ZINC000086556315 179307749 /nfs/dbraw/zinc/30/77/49/179307749.db2.gz DUPJXTRYLPBNGR-SSDOTTSWSA-N 0 3 261.188 2.309 10 0 CEAEHN COc1ccc2nc(-c3sc(CN)nc3C)[nH]c2c1 ZINC000086576238 179308332 /nfs/dbraw/zinc/30/83/32/179308332.db2.gz PQVFQTDACBSBDB-UHFFFAOYSA-N 0 3 274.349 2.462 10 0 CEAEHN COC(=O)CCCNCc1ccc(OC)c(Cl)c1 ZINC000086585482 179310043 /nfs/dbraw/zinc/31/00/43/179310043.db2.gz VBQAXAJZPWTJCS-UHFFFAOYSA-N 0 3 271.744 2.391 10 0 CEAEHN CN1CC[C@H](CNc2nc(Cl)ncc2Cl)C1 ZINC000086621959 179311726 /nfs/dbraw/zinc/31/17/26/179311726.db2.gz OMYLKTPQGHVPIF-SSDOTTSWSA-N 0 3 261.156 2.147 10 0 CEAEHN COC[C@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000086695548 179321127 /nfs/dbraw/zinc/32/11/27/179321127.db2.gz OAZYJILVIACKFQ-FZMZJTMJSA-N 0 3 292.379 2.339 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCc2ccccc2C1 ZINC000086675828 179318440 /nfs/dbraw/zinc/31/84/40/179318440.db2.gz PFZUYJJJAYLFRJ-OWCLPIDISA-N 0 3 293.432 2.099 10 0 CEAEHN Cc1ccccc1CN[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000086674778 179318786 /nfs/dbraw/zinc/31/87/86/179318786.db2.gz RSESOHLLAIQQFG-UONOGXRCSA-N 0 3 267.394 2.050 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000130327144 365946271 /nfs/dbraw/zinc/94/62/71/365946271.db2.gz NLRYCCLXWWKWHY-CQSZACIVSA-N 0 3 271.368 2.073 10 0 CEAEHN CCCc1nc([C@@]2(N)CCCN(C(C)C)CC2)no1 ZINC000086851738 179359794 /nfs/dbraw/zinc/35/97/94/179359794.db2.gz NPHFDCKSIHMPEH-CQSZACIVSA-N 0 3 266.389 2.070 10 0 CEAEHN CCC[C@H]([NH2+][C@@H]1CCCN(CCC)CC1)C(=O)[O-] ZINC000086868669 179361509 /nfs/dbraw/zinc/36/15/09/179361509.db2.gz PXJJWANKMOMXFV-OLZOCXBDSA-N 0 3 256.390 2.094 10 0 CEAEHN CC(C)N1CCC[C@H]([N@H+](C)CCCC(=O)[O-])CC1 ZINC000086869217 179361882 /nfs/dbraw/zinc/36/18/82/179361882.db2.gz QLJIZYXVOAOWGT-ZDUSSCGKSA-N 0 3 256.390 2.046 10 0 CEAEHN CC(C)N1CCC[C@H]([N@@H+](C)CCCC(=O)[O-])CC1 ZINC000086869217 179361883 /nfs/dbraw/zinc/36/18/83/179361883.db2.gz QLJIZYXVOAOWGT-ZDUSSCGKSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868955 179362314 /nfs/dbraw/zinc/36/23/14/179362314.db2.gz YZVYSONIHSXXSS-LBPRGKRZSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868955 179362316 /nfs/dbraw/zinc/36/23/16/179362316.db2.gz YZVYSONIHSXXSS-LBPRGKRZSA-N 0 3 256.390 2.046 10 0 CEAEHN CCN[C@H](CCCS(=O)(=O)CC)c1ccco1 ZINC000086979404 179373123 /nfs/dbraw/zinc/37/31/23/179373123.db2.gz BQKLXDZBSCTVPJ-LLVKDONJSA-N 0 3 259.371 2.145 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1cc(F)ccc1F ZINC000086979682 179373172 /nfs/dbraw/zinc/37/31/72/179373172.db2.gz YXCJHWRSGNSJBK-LBPRGKRZSA-N 0 3 277.336 2.180 10 0 CEAEHN CCS(=O)(=O)CCCOc1cc(C)ccc1[C@@H](C)N ZINC000086973103 179371262 /nfs/dbraw/zinc/37/12/62/179371262.db2.gz VINWEJUOXAJGDD-GFCCVEGCSA-N 0 3 285.409 2.218 10 0 CEAEHN Oc1ccc2c(c1)OC[C@@H]2NCC1(O)CCCCC1 ZINC000087016957 179380752 /nfs/dbraw/zinc/38/07/52/179380752.db2.gz LQUJKEYZRBUUEP-ZDUSSCGKSA-N 0 3 263.337 2.111 10 0 CEAEHN Cc1nc([C@@H]2CSCCS2)nc(C)c1CN ZINC000086985425 179374865 /nfs/dbraw/zinc/37/48/65/179374865.db2.gz ODLIYDDYDPYFAQ-JTQLQIEISA-N 0 3 255.412 2.073 10 0 CEAEHN Cc1nccc(CNCC2(O)CCC(C)(C)CC2)n1 ZINC000087048214 179388064 /nfs/dbraw/zinc/38/80/64/179388064.db2.gz MOAGJFOYTCTOAP-UHFFFAOYSA-N 0 3 263.385 2.206 10 0 CEAEHN CC[C@](C)([NH3+])C(=O)Nc1cc(Br)ccc1[O-] ZINC000087049228 179388673 /nfs/dbraw/zinc/38/86/73/179388673.db2.gz ZXLHYABYJZZJJG-NSHDSACASA-N 0 3 287.157 2.221 10 0 CEAEHN COc1cccc(CNC[C@]2(O)CCC[C@H](C)C2)n1 ZINC000087064093 179389867 /nfs/dbraw/zinc/38/98/67/179389867.db2.gz YHWKXGTUSOKKAK-WFASDCNBSA-N 0 3 264.369 2.121 10 0 CEAEHN Cc1nc(C)c(CN2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000670991204 539614564 /nfs/dbraw/zinc/61/45/64/539614564.db2.gz GYHMLUBKOZYNIB-UKRRQHHQSA-N 0 3 264.369 2.418 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000087090257 179393963 /nfs/dbraw/zinc/39/39/63/179393963.db2.gz NHBVIMIBBPBOFD-FZMZJTMJSA-N 0 3 281.352 2.152 10 0 CEAEHN N[C@@H]1CCN(c2ccc(Cl)c(Br)c2)C1=O ZINC000087153167 179397844 /nfs/dbraw/zinc/39/78/44/179397844.db2.gz FDXNSNWYGBNOMP-SECBINFHSA-N 0 3 289.560 2.167 10 0 CEAEHN CCOCCCOc1c(CNC)cccc1OC ZINC000087324577 179412446 /nfs/dbraw/zinc/41/24/46/179412446.db2.gz KXEXCVVHRVVXCK-UHFFFAOYSA-N 0 3 253.342 2.220 10 0 CEAEHN Cc1nc(CCN2CCN3CCCC[C@@H]3C2)cs1 ZINC000128910475 187398198 /nfs/dbraw/zinc/39/81/98/187398198.db2.gz YKLXBHYYLVXCGJ-CQSZACIVSA-N 0 3 265.426 2.164 10 0 CEAEHN OCCc1cccc([C@H]2CNCCN2Cc2ccccc2)c1 ZINC000616636357 348542499 /nfs/dbraw/zinc/54/24/99/348542499.db2.gz KBOZGZWOKVQNGN-LJQANCHMSA-N 0 3 296.414 2.368 10 0 CEAEHN CCOC(=O)c1ccccc1[C@@H]1CNCCN1C(C)C ZINC000616636454 348542545 /nfs/dbraw/zinc/54/25/45/348542545.db2.gz AJRNJFHYNQTMSA-HNNXBMFYSA-N 0 3 276.380 2.218 10 0 CEAEHN CCN1CCCOC[C@H]1c1cccc2ccnnc21 ZINC000616648975 348546702 /nfs/dbraw/zinc/54/67/02/348546702.db2.gz ILUSGVAFFTZDSQ-AWEZNQCLSA-N 0 3 257.337 2.413 10 0 CEAEHN CCCNCc1cnc([C@H]2COc3ccccc3O2)nc1 ZINC000087860809 179504506 /nfs/dbraw/zinc/50/45/06/179504506.db2.gz PYVIIKJJCXIUQS-OAHLLOKOSA-N 0 3 285.347 2.489 10 0 CEAEHN Nc1ncccc1[C@@H]1COCCN(Cc2ccccc2)C1 ZINC000616597404 348528965 /nfs/dbraw/zinc/52/89/65/348528965.db2.gz IYTKXFWKSJWLFX-HNNXBMFYSA-N 0 3 283.375 2.280 10 0 CEAEHN OCCN1CCC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616621782 348537800 /nfs/dbraw/zinc/53/78/00/348537800.db2.gz YRYZJLJIQWFYFV-CQSZACIVSA-N 0 3 256.349 2.407 10 0 CEAEHN NC1(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000088130523 179553871 /nfs/dbraw/zinc/55/38/71/179553871.db2.gz NOEGXLBGJHHRNL-LBPRGKRZSA-N 0 3 264.756 2.495 10 0 CEAEHN OCCc1ccccc1[C@@H]1c2ccccc2CCN1CCO ZINC000616679364 348558107 /nfs/dbraw/zinc/55/81/07/348558107.db2.gz RTNOSDKLRLEPIB-IBGZPJMESA-N 0 3 297.398 2.161 10 0 CEAEHN COCc1ccc([C@@H](CN)NC(=O)OC(C)(C)C)cc1 ZINC000088567172 179625407 /nfs/dbraw/zinc/62/54/07/179625407.db2.gz ZLJXABZDMWYJCO-CYBMUJFWSA-N 0 3 280.368 2.358 10 0 CEAEHN CCOCCN(CC)c1ccnc(CNC(C)C)c1 ZINC000104201862 185929244 /nfs/dbraw/zinc/92/92/44/185929244.db2.gz GPYDJMYBLANQAS-UHFFFAOYSA-N 0 3 265.401 2.442 10 0 CEAEHN CCc1ccc(CN)cc1S(=O)(=O)NCC(C)(C)C ZINC000088985776 179690483 /nfs/dbraw/zinc/69/04/83/179690483.db2.gz CCQZDTBRQRTXDJ-UHFFFAOYSA-N 0 3 284.425 2.032 10 0 CEAEHN CC(C)C[C@](C)(O)CNCc1cnn2ccccc12 ZINC000090269008 179943419 /nfs/dbraw/zinc/94/34/19/179943419.db2.gz CMDZSMDOBIXFQU-HNNXBMFYSA-N 0 3 261.369 2.221 10 0 CEAEHN CCn1c2c(cccc2Cl)nc1[C@@]1(C)COC[C@H]1N ZINC000090571811 180008018 /nfs/dbraw/zinc/00/80/18/180008018.db2.gz ZACLHVZYAALOEP-RISCZKNCSA-N 0 3 279.771 2.325 10 0 CEAEHN C[C@H](OCCC(=O)Nc1ccccc1CN)C(F)(F)F ZINC000090671960 180020960 /nfs/dbraw/zinc/02/09/60/180020960.db2.gz SYONMXGWNSVDCI-VIFPVBQESA-N 0 3 290.285 2.441 10 0 CEAEHN C[C@H](OCCCC[C@](C)(NC1CC1)C(N)=O)C(F)(F)F ZINC000090674100 180021719 /nfs/dbraw/zinc/02/17/19/180021719.db2.gz CHFIAUKJYKYALV-CABZTGNLSA-N 0 3 296.333 2.120 10 0 CEAEHN C[C@H](OCCCC[C@@](C)(NC1CC1)C(N)=O)C(F)(F)F ZINC000090674102 180021826 /nfs/dbraw/zinc/02/18/26/180021826.db2.gz CHFIAUKJYKYALV-JOYOIKCWSA-N 0 3 296.333 2.120 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)C1CCCC1 ZINC000090699764 180028022 /nfs/dbraw/zinc/02/80/22/180028022.db2.gz QVSFVRFXVATAIX-CYBMUJFWSA-N 0 3 270.442 2.072 10 0 CEAEHN CC(C)C(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000090700521 180028074 /nfs/dbraw/zinc/02/80/74/180028074.db2.gz RKSGULODCOWRRD-CYBMUJFWSA-N 0 3 270.442 2.072 10 0 CEAEHN COCCNCc1cccc(SCCOCCOC)c1 ZINC000090873087 180050191 /nfs/dbraw/zinc/05/01/91/180050191.db2.gz PKBDMQZSKLVUMY-UHFFFAOYSA-N 0 3 299.436 2.178 10 0 CEAEHN CCOC(=O)CCN(C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894736 180055875 /nfs/dbraw/zinc/05/58/75/180055875.db2.gz YABKIVGLLJUTAW-CYBMUJFWSA-N 0 3 281.327 2.014 10 0 CEAEHN Cc1ccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090905676 180059881 /nfs/dbraw/zinc/05/98/81/180059881.db2.gz PXXOGVYOFBQJRH-OWCLPIDISA-N 0 3 260.381 2.166 10 0 CEAEHN CCNCc1ccnn1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090901933 180060347 /nfs/dbraw/zinc/06/03/47/180060347.db2.gz QSLWZAQZHIPYJB-HNNXBMFYSA-N 0 3 271.364 2.305 10 0 CEAEHN Cc1ccc([C@@H](N)CN2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090905995 180060989 /nfs/dbraw/zinc/06/09/89/180060989.db2.gz IDIFZQFFPWPGEL-XHSDSOJGSA-N 0 3 260.381 2.166 10 0 CEAEHN NCc1oc2ccccc2c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907820 180062084 /nfs/dbraw/zinc/06/20/84/180062084.db2.gz BPVKVQANNYQNAA-TXEJJXNPSA-N 0 3 272.348 2.255 10 0 CEAEHN C[C@H](NC[C@@H]1Cc2ccccc21)C(=O)NC(C)(C)C ZINC000090992341 180081389 /nfs/dbraw/zinc/08/13/89/180081389.db2.gz LQIRQALUXJLDOI-AAEUAGOBSA-N 0 3 260.381 2.219 10 0 CEAEHN CCn1ccc(CNCCOCC(F)(F)F)c1 ZINC000091015817 180086425 /nfs/dbraw/zinc/08/64/25/180086425.db2.gz AFPAOKOEAALXHK-UHFFFAOYSA-N 0 3 250.264 2.177 10 0 CEAEHN CC(C)n1c(C[C@@H]2CSCCN2)nc2cnccc21 ZINC000091128704 180100484 /nfs/dbraw/zinc/10/04/84/180100484.db2.gz NASXUEGIODOGBZ-LLVKDONJSA-N 0 3 276.409 2.260 10 0 CEAEHN C[C@H](NC(=O)C[C@@H]1CSCCN1)c1cccs1 ZINC000091134405 180102868 /nfs/dbraw/zinc/10/28/68/180102868.db2.gz HEEKLVLWTYQTEV-VHSXEESVSA-N 0 3 270.423 2.020 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)Nc1ccc(F)c(F)c1F ZINC000091133947 180103106 /nfs/dbraw/zinc/10/31/06/180103106.db2.gz NAWOCXPOJADTEN-SSDOTTSWSA-N 0 3 290.310 2.138 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000091134557 180103544 /nfs/dbraw/zinc/10/35/44/180103544.db2.gz AHZBVHSLVFLGEJ-BFHYXJOUSA-N 0 3 282.453 2.120 10 0 CEAEHN CCNCc1cnn(-c2ccccn2)c1C(F)(F)F ZINC000091335607 180136211 /nfs/dbraw/zinc/13/62/11/180136211.db2.gz HBEBPMCDSWYKAM-UHFFFAOYSA-N 0 3 270.258 2.396 10 0 CEAEHN CC(C)n1cncc1[C@@H](O)[C@@H]1NCc2ccccc21 ZINC000091273628 180117942 /nfs/dbraw/zinc/11/79/42/180117942.db2.gz MIWOIMMUMNCNIQ-HUUCEWRRSA-N 0 3 257.337 2.342 10 0 CEAEHN NC[C@@H](c1cncn1C1CC1)N1CCc2ccccc2C1 ZINC000091276190 180119109 /nfs/dbraw/zinc/11/91/09/180119109.db2.gz WXIWXZPWKPFMSQ-INIZCTEOSA-N 0 3 282.391 2.276 10 0 CEAEHN CN[C@H]1CCCc2nc(-c3cncn3C3CC3)ncc21 ZINC000091274877 180119177 /nfs/dbraw/zinc/11/91/77/180119177.db2.gz YLNQXMIRWXMRJI-LBPRGKRZSA-N 0 3 269.352 2.272 10 0 CEAEHN CCC(C)(C)N(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276585 180119635 /nfs/dbraw/zinc/11/96/35/180119635.db2.gz LZNXGJKCABNWKH-LBPRGKRZSA-N 0 3 250.390 2.338 10 0 CEAEHN O[C@H](c1cncn1C1CC1)[C@H]1NCCc2ccccc21 ZINC000091277384 180120100 /nfs/dbraw/zinc/12/01/00/180120100.db2.gz QCUBQQYUUYPSST-JKSUJKDBSA-N 0 3 269.348 2.138 10 0 CEAEHN CC[C@@H](NC(=O)C[C@H]1CSCCN1)c1cccs1 ZINC000091290505 180121892 /nfs/dbraw/zinc/12/18/92/180121892.db2.gz UZJSHLVYMHWQEM-WDEREUQCSA-N 0 3 284.450 2.411 10 0 CEAEHN CC[C@@H](NC(=O)C[C@@H]1CSCCN1)c1cccs1 ZINC000091290503 180121985 /nfs/dbraw/zinc/12/19/85/180121985.db2.gz UZJSHLVYMHWQEM-GHMZBOCLSA-N 0 3 284.450 2.411 10 0 CEAEHN OC1CC(NCc2ccccc2OC(F)(F)F)C1 ZINC000091431644 180153586 /nfs/dbraw/zinc/15/35/86/180153586.db2.gz QJKHEJPPRAHDPD-UHFFFAOYSA-N 0 3 261.243 2.198 10 0 CEAEHN CN(CC1CC(O)C1)C[C@H]1OCCc2ccccc21 ZINC000091489893 180169049 /nfs/dbraw/zinc/16/90/49/180169049.db2.gz BLQIUWHOFVDBGC-LDZOIKDWSA-N 0 3 261.365 2.003 10 0 CEAEHN CC1(C)C(C(=O)N[C@@H]2c3ccccc3C[C@@H]2N)C1(C)C ZINC000091494705 180171548 /nfs/dbraw/zinc/17/15/48/180171548.db2.gz KTNRRRKFWJUGFR-QWHCGFSZSA-N 0 3 272.392 2.410 10 0 CEAEHN CCOc1ccc(C(=O)CN2CCC[C@@H](N(C)C)C2)cc1 ZINC000091395053 180146663 /nfs/dbraw/zinc/14/66/63/180146663.db2.gz XYHMHCYNNYNMOL-OAHLLOKOSA-N 0 3 290.407 2.294 10 0 CEAEHN C[C@H](O)C(C)(C)CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000091405640 180147770 /nfs/dbraw/zinc/14/77/70/180147770.db2.gz WILKAVUHNYJQPF-GOEBONIOSA-N 0 3 276.424 2.382 10 0 CEAEHN CC(C)NCc1cncc(N2Cc3ccccc3C2)n1 ZINC000091418186 180150120 /nfs/dbraw/zinc/15/01/20/180150120.db2.gz XKESRUFMLIPIIF-UHFFFAOYSA-N 0 3 268.364 2.495 10 0 CEAEHN CN(CC(F)(F)F)c1cncc(CNC(C)(C)C)n1 ZINC000091419666 180150660 /nfs/dbraw/zinc/15/06/60/180150660.db2.gz PHUOWUNNHPSBLR-UHFFFAOYSA-N 0 3 276.306 2.363 10 0 CEAEHN CCN[C@@H](c1nccn1C)C(C)(C)N1CCCCC1 ZINC000091565116 180193313 /nfs/dbraw/zinc/19/33/13/180193313.db2.gz SMXDZIGGXHZCTJ-ZDUSSCGKSA-N 0 3 264.417 2.335 10 0 CEAEHN Cc1cnc(N)c([C@H](N)C(C)(C)N2CCCCC2)c1 ZINC000091564581 180193521 /nfs/dbraw/zinc/19/35/21/180193521.db2.gz VFRMULKNTCGCKU-ZDUSSCGKSA-N 0 3 262.401 2.237 10 0 CEAEHN Cc1cnc(N)c([C@@H](N)C(C)(C)N2CCCCC2)c1 ZINC000091564582 180193779 /nfs/dbraw/zinc/19/37/79/180193779.db2.gz VFRMULKNTCGCKU-CYBMUJFWSA-N 0 3 262.401 2.237 10 0 CEAEHN CCCN[C@H](c1cnccn1)[C@](C)(CC)N(C)C ZINC000091571783 180196044 /nfs/dbraw/zinc/19/60/44/180196044.db2.gz QTZLKZYICBQNLU-KGLIPLIRSA-N 0 3 250.390 2.248 10 0 CEAEHN CC[C@@](C)(C(=O)Cc1cc(C)nn1C)N1CCCC1 ZINC000091601665 180203254 /nfs/dbraw/zinc/20/32/54/180203254.db2.gz SFGISGUXPAIWAL-HNNXBMFYSA-N 0 3 263.385 2.105 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccccc1OC)N1CCOCC1 ZINC000091611633 180206389 /nfs/dbraw/zinc/20/63/89/180206389.db2.gz GUYZWWOGEOVYER-CVEARBPZSA-N 0 3 278.396 2.196 10 0 CEAEHN CC[C@@](C)([C@H](O)Cc1cccc(C)c1)N1CCOCC1 ZINC000091611073 180206489 /nfs/dbraw/zinc/20/64/89/180206489.db2.gz MJSNKQSZYNNAOS-SJORKVTESA-N 0 3 277.408 2.399 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccc(OC)c(F)c1)N1CCOCC1 ZINC000091612161 180207285 /nfs/dbraw/zinc/20/72/85/180207285.db2.gz HYVCNWFLJVRDSB-CVEARBPZSA-N 0 3 296.386 2.335 10 0 CEAEHN CCn1cc(CC(=O)C(CC)(CC)N(C)C)cn1 ZINC000091613283 180207928 /nfs/dbraw/zinc/20/79/28/180207928.db2.gz CABKRFSOSFAXQP-UHFFFAOYSA-N 0 3 251.374 2.135 10 0 CEAEHN Cc1nc(NC(=O)CNCC2CC2)ccc1Br ZINC000091507001 180176146 /nfs/dbraw/zinc/17/61/46/180176146.db2.gz LSKMIUBBBKGYPW-UHFFFAOYSA-N 0 3 298.184 2.091 10 0 CEAEHN CN[C@@H](c1cncc(F)c1)C(C)(C)N1CCCC1 ZINC000091534838 180181926 /nfs/dbraw/zinc/18/19/26/180181926.db2.gz RJZUMIYGBNWGDN-ZDUSSCGKSA-N 0 3 251.349 2.356 10 0 CEAEHN CCCCC[C@@H](C)N[C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000105021305 186038643 /nfs/dbraw/zinc/03/86/43/186038643.db2.gz IDWKIUQCFCVDMJ-AGIUHOORSA-N 0 3 268.401 2.471 10 0 CEAEHN CCC(CC)(C(=O)Cc1ccnc(N)c1)N1CCCC1 ZINC000091634195 180210271 /nfs/dbraw/zinc/21/02/71/180210271.db2.gz NBDXYCDBAJIJSA-UHFFFAOYSA-N 0 3 275.396 2.430 10 0 CEAEHN CCN(CC)C1(C(=O)Cc2ncnn2CC)CCCC1 ZINC000091638672 180212199 /nfs/dbraw/zinc/21/21/99/180212199.db2.gz DPEOFALCZSQHEM-UHFFFAOYSA-N 0 3 278.400 2.064 10 0 CEAEHN N[C@@H](c1cccs1)C1(N2CCOCC2)CCCC1 ZINC000091643091 180213974 /nfs/dbraw/zinc/21/39/74/180213974.db2.gz LVAYHZQQOYKGAB-ZDUSSCGKSA-N 0 3 266.410 2.393 10 0 CEAEHN C[C@@H]1CCC[C@@](C(=O)C2CCOCC2)(N(C)C)C1 ZINC000091650030 180216143 /nfs/dbraw/zinc/21/61/43/180216143.db2.gz AODVVRUCJNODJF-IUODEOHRSA-N 0 3 253.386 2.493 10 0 CEAEHN CCn1ccnc1[C@H](N)C1(N(C)C)CCC(C)CC1 ZINC000091648929 180216485 /nfs/dbraw/zinc/21/64/85/180216485.db2.gz XJUQTDPHSSESCK-OWYJLGKBSA-N 0 3 264.417 2.413 10 0 CEAEHN CN[C@H](c1nccn1C)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652665 180216927 /nfs/dbraw/zinc/21/69/27/180216927.db2.gz PDFCVNRBAKGMRU-NFAWXSAZSA-N 0 3 264.417 2.191 10 0 CEAEHN CC(C)[C@H](CN(C)C)Nc1nc(Cl)ncc1F ZINC000091655376 180217462 /nfs/dbraw/zinc/21/74/62/180217462.db2.gz DLENBFDGFUZCHP-VIFPVBQESA-N 0 3 260.744 2.267 10 0 CEAEHN CCCN(CCN(C)C)c1nc(Cl)ncc1F ZINC000091655551 180217813 /nfs/dbraw/zinc/21/78/13/180217813.db2.gz OAMGXHSIBBNRJS-UHFFFAOYSA-N 0 3 260.744 2.047 10 0 CEAEHN CN[C@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717604 180232352 /nfs/dbraw/zinc/23/23/52/180232352.db2.gz RZPMPTUDQWIRFW-JKSUJKDBSA-N 0 3 278.396 2.065 10 0 CEAEHN CCN[C@H](c1ccc(C)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718699 180233430 /nfs/dbraw/zinc/23/34/30/180233430.db2.gz LQTOVMGJAJBKDF-JKSUJKDBSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@H](c1ccc(C)s1)[C@@H]1CN(C)CCO1 ZINC000091719543 180234019 /nfs/dbraw/zinc/23/40/19/180234019.db2.gz NOTWGSGRWBRFSV-JSGCOSHPSA-N 0 3 268.426 2.428 10 0 CEAEHN CCCN[C@H](c1ccccc1OCC)[C@H]1CN(C)CCO1 ZINC000091719445 180234116 /nfs/dbraw/zinc/23/41/16/180234116.db2.gz PAGVVOGYCFCLFU-IAGOWNOFSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@H](c1ccccc1F)[C@H]1CN(C)CCO1 ZINC000091719229 180234510 /nfs/dbraw/zinc/23/45/10/180234510.db2.gz QVCHEJXQOWJQPH-HUUCEWRRSA-N 0 3 266.360 2.197 10 0 CEAEHN CN[C@H](c1ccc(F)cc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721317 180239105 /nfs/dbraw/zinc/23/91/05/180239105.db2.gz XUQSUQRYLFSJLW-VNQPRFMTSA-N 0 3 278.371 2.258 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@H](CC)NC[C@H]2CC)o1 ZINC000091762865 180248564 /nfs/dbraw/zinc/24/85/64/180248564.db2.gz LJUKKTBYCPZLJK-NWDGAFQWSA-N 0 3 264.369 2.445 10 0 CEAEHN CCC[C@H](C)NC(=O)Cn1cccc1[C@@H](C)NC ZINC000091801218 180259495 /nfs/dbraw/zinc/25/94/95/180259495.db2.gz VKRLYMOONQHGIJ-NWDGAFQWSA-N 0 3 251.374 2.073 10 0 CEAEHN CCN(C)C(=O)CCN1CCC[C@H]1c1ccco1 ZINC000130451762 365959568 /nfs/dbraw/zinc/95/95/68/365959568.db2.gz NRPJNRHXBVJYAH-LBPRGKRZSA-N 0 3 250.342 2.285 10 0 CEAEHN Cc1nc([C@H]2CN3CCC[C@@H]3CO2)sc1CNC(C)C ZINC000091723145 180241441 /nfs/dbraw/zinc/24/14/41/180241441.db2.gz CIOIMWAFKJCMCX-CHWSQXEVSA-N 0 3 295.452 2.485 10 0 CEAEHN CCCN(C(=O)c1ccc(O)cc1[O-])C1CCC([NH3+])CC1 ZINC000091851896 180272969 /nfs/dbraw/zinc/27/29/69/180272969.db2.gz FLQZYNIFBMDCRL-UHFFFAOYSA-N 0 3 292.379 2.220 10 0 CEAEHN C[NH2+]C1CCC(N(C)C(=O)c2cc(C)ccc2[O-])CC1 ZINC000091854405 180274642 /nfs/dbraw/zinc/27/46/42/180274642.db2.gz ANNNMECFSCJGGB-UHFFFAOYSA-N 0 3 276.380 2.303 10 0 CEAEHN CC(C)NCc1ncoc1-c1ccc(S(C)(=O)=O)cc1 ZINC000091958445 180292170 /nfs/dbraw/zinc/29/21/70/180292170.db2.gz RLSSPPGPJGTLBS-UHFFFAOYSA-N 0 3 294.376 2.243 10 0 CEAEHN CN(C)C(=O)Nc1ccc(CN)c(C(F)(F)F)c1 ZINC000091960689 180292530 /nfs/dbraw/zinc/29/25/30/180292530.db2.gz ILEKLBYPSPAFFP-UHFFFAOYSA-N 0 3 261.247 2.258 10 0 CEAEHN CC[C@H]1CCCN(Cc2c(C)nn(C)c2OC)C1 ZINC000091919434 180286879 /nfs/dbraw/zinc/28/68/79/180286879.db2.gz HEZHHDBPSJUFQF-LBPRGKRZSA-N 0 3 251.374 2.359 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(C)cc2)C1 ZINC000092052457 180312767 /nfs/dbraw/zinc/31/27/67/180312767.db2.gz OKXPYVYCPWHZPB-HOCLYGCPSA-N 0 3 262.397 2.366 10 0 CEAEHN CCN1CCO[C@@H](COc2cc(C)ccc2[C@@H](C)NC)C1 ZINC000092051362 180312976 /nfs/dbraw/zinc/31/29/76/180312976.db2.gz GGCDGSJVUGLEDH-HUUCEWRRSA-N 0 3 292.423 2.375 10 0 CEAEHN CNCc1nc(C)ccc1O[C@@H]1CCCCC[C@H]1O ZINC000091994225 180300835 /nfs/dbraw/zinc/30/08/35/180300835.db2.gz ZCKQYTDRADAUGR-UKRRQHHQSA-N 0 3 264.369 2.182 10 0 CEAEHN CCC(CC)NC(=O)[C@H](C)Oc1ccc(C)nc1CNC ZINC000091994397 180300861 /nfs/dbraw/zinc/30/08/61/180300861.db2.gz CCUXITOWCHGJNY-LBPRGKRZSA-N 0 3 293.411 2.182 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@H](C)C(=O)N[C@@H](C)CC ZINC000091994792 180300925 /nfs/dbraw/zinc/30/09/25/180300925.db2.gz XYTQGEBCMVXICO-WCQYABFASA-N 0 3 293.411 2.182 10 0 CEAEHN CCNC(=O)CCOc1ccc(C)nc1CNCC(C)C ZINC000091996450 180302133 /nfs/dbraw/zinc/30/21/33/180302133.db2.gz SDQUPDDTCKPRRB-UHFFFAOYSA-N 0 3 293.411 2.041 10 0 CEAEHN CCOC(=O)COc1ccc(C)nc1CNCC(C)C ZINC000091996477 180302397 /nfs/dbraw/zinc/30/23/97/180302397.db2.gz DPZWSNGKVHYPJM-UHFFFAOYSA-N 0 3 280.368 2.078 10 0 CEAEHN CCOC[C@H](O)COc1ccc(C)nc1CNC(C)(C)C ZINC000091996048 180302483 /nfs/dbraw/zinc/30/24/83/180302483.db2.gz ANFSPSUMDVMWHC-ZDUSSCGKSA-N 0 3 296.411 2.054 10 0 CEAEHN C[C@H](O)CCC(=O)Nc1ccccc1CN1CCCC1 ZINC000092152908 180335273 /nfs/dbraw/zinc/33/52/73/180335273.db2.gz RACHOUSYMNMCOJ-ZDUSSCGKSA-N 0 3 276.380 2.382 10 0 CEAEHN CCCN(C(C)C)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115609 180327166 /nfs/dbraw/zinc/32/71/66/180327166.db2.gz JGAUSQICIDJXAC-UHFFFAOYSA-N 0 3 288.388 2.094 10 0 CEAEHN CCN(CC)Cc1ccccc1NC(=O)CCCO ZINC000092152811 180335171 /nfs/dbraw/zinc/33/51/71/180335171.db2.gz RFAYIYYEDNAQCV-UHFFFAOYSA-N 0 3 264.369 2.239 10 0 CEAEHN CNCc1ccn(C[C@H]2CSc3ccccc32)n1 ZINC000092295453 180358573 /nfs/dbraw/zinc/35/85/73/180358573.db2.gz KXNVKZARHGVZGR-NSHDSACASA-N 0 3 259.378 2.492 10 0 CEAEHN CNCc1ccnn1C[C@@H]1CSc2ccccc21 ZINC000092295431 180358635 /nfs/dbraw/zinc/35/86/35/180358635.db2.gz CBDMGOPEQKMYCR-LLVKDONJSA-N 0 3 259.378 2.492 10 0 CEAEHN O[C@@H](CN1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000105805168 186073287 /nfs/dbraw/zinc/07/32/87/186073287.db2.gz UWLSZRCQCAVMFE-INIZCTEOSA-N 0 3 298.390 2.087 10 0 CEAEHN Cc1ccc(C)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000106100906 186102028 /nfs/dbraw/zinc/10/20/28/186102028.db2.gz YDMRFLJWRAILMR-HZPDHXFCSA-N 0 3 276.424 2.190 10 0 CEAEHN COCCN1CCN([C@@H](C)c2ccccc2)C[C@H]1C ZINC000106110135 186103158 /nfs/dbraw/zinc/10/31/58/186103158.db2.gz KJSBMXYEYWIDLW-CABCVRRESA-N 0 3 262.397 2.400 10 0 CEAEHN CC[C@@H]1CSC(NCc2c(C)nn(C)c2C)=N1 ZINC000092341144 180366052 /nfs/dbraw/zinc/36/60/52/180366052.db2.gz XEKZZWUJENULPJ-SNVBAGLBSA-N 0 3 252.387 2.008 10 0 CEAEHN CNc1cccc(CN(CCOC)[C@@H](C)C2CC2)n1 ZINC000092369477 180369928 /nfs/dbraw/zinc/36/99/28/180369928.db2.gz AWVMZESWPDMMJU-LBPRGKRZSA-N 0 3 263.385 2.370 10 0 CEAEHN CC(C)[C@H](CO)Nc1c(CN)cnc2ccccc21 ZINC000092391524 180375114 /nfs/dbraw/zinc/37/51/14/180375114.db2.gz SHHMWZPGOPQOQF-AWEZNQCLSA-N 0 3 259.353 2.122 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H]([S@](=O)C(C)C)CC2 ZINC000092388974 180375553 /nfs/dbraw/zinc/37/55/53/180375553.db2.gz IBJUZGKPIHROMN-DEYYWGMASA-N 0 3 267.394 2.167 10 0 CEAEHN COc1ccc([C@@H]2CN[C@@H](C(C)C)CO2)c(OC)c1 ZINC000092403143 180378356 /nfs/dbraw/zinc/37/83/56/180378356.db2.gz PNUWTSCFOMESGT-HIFRSBDPSA-N 0 3 265.353 2.389 10 0 CEAEHN NNc1ccnc(CN2CC[C@@H](c3ccccc3)C2)c1 ZINC000092421072 180382060 /nfs/dbraw/zinc/38/20/60/180382060.db2.gz DEQMIDPSSADUKV-CQSZACIVSA-N 0 3 268.364 2.357 10 0 CEAEHN CCCNc1ccnc(CN(C)CCCOC)c1 ZINC000092419089 180382078 /nfs/dbraw/zinc/38/20/78/180382078.db2.gz LIOJVPAUPADCBH-UHFFFAOYSA-N 0 3 251.374 2.372 10 0 CEAEHN COc1cccc(CN)c1OCc1cccc(C)n1 ZINC000092427460 180383490 /nfs/dbraw/zinc/38/34/90/180383490.db2.gz MDAGBOYQNMDFCJ-UHFFFAOYSA-N 0 3 258.321 2.436 10 0 CEAEHN CCCC[C@@H](C)N[C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000106785128 186135985 /nfs/dbraw/zinc/13/59/85/186135985.db2.gz CGKKKVGSWKSQDM-YPMHNXCESA-N 0 3 268.401 2.471 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)c1cccc(O)c1)N(C)C ZINC000130625232 365975222 /nfs/dbraw/zinc/97/52/22/365975222.db2.gz USSXRKLKHRPWKJ-FZMZJTMJSA-N 0 3 264.369 2.300 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)c1cccc(O)c1)N(C)C ZINC000130625672 365975551 /nfs/dbraw/zinc/97/55/51/365975551.db2.gz USSXRKLKHRPWKJ-RISCZKNCSA-N 0 3 264.369 2.300 10 0 CEAEHN CSC[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000108959176 186238317 /nfs/dbraw/zinc/23/83/17/186238317.db2.gz GDRIMGYSSLVHQX-TZMCWYRMSA-N 0 3 280.437 2.405 10 0 CEAEHN CN[C@@H](Cc1nc(-c2ncccn2)no1)c1ccccc1 ZINC000109505393 186257853 /nfs/dbraw/zinc/25/78/53/186257853.db2.gz LLXMVYQZTACRQD-LBPRGKRZSA-N 0 3 281.319 2.030 10 0 CEAEHN COC[C@H](N)Cc1nc(-c2cccc3ccccc32)no1 ZINC000109510137 186258523 /nfs/dbraw/zinc/25/85/23/186258523.db2.gz AFAMTKDHWLLZNA-GFCCVEGCSA-N 0 3 283.331 2.406 10 0 CEAEHN COc1cc(-c2nc(NN)cc(C3CC3)n2)ccc1O ZINC000109528195 186259966 /nfs/dbraw/zinc/25/99/66/186259966.db2.gz RWXCAQAOSRTAKI-UHFFFAOYSA-N 0 3 272.308 2.021 10 0 CEAEHN COCCN(c1cccc(F)c1[C@H](C)N)[C@@H](C)COC ZINC000109570206 186263421 /nfs/dbraw/zinc/26/34/21/186263421.db2.gz NAEXJBYVXNEHQX-RYUDHWBXSA-N 0 3 284.375 2.333 10 0 CEAEHN CCNCc1cc(N(C)CCOC)c2ccccc2n1 ZINC000109589253 186264790 /nfs/dbraw/zinc/26/47/90/186264790.db2.gz WWLVVSYBSTXORZ-UHFFFAOYSA-N 0 3 273.380 2.427 10 0 CEAEHN CCc1nccn1-c1cc(CN)nc2ccccc21 ZINC000109589812 186264842 /nfs/dbraw/zinc/26/48/42/186264842.db2.gz HUZLEIKTLSSTDC-UHFFFAOYSA-N 0 3 252.321 2.442 10 0 CEAEHN CC[C@@H](C(N)=S)N1CCN(Cc2ccccc2F)CC1 ZINC000109469547 186254351 /nfs/dbraw/zinc/25/43/51/186254351.db2.gz FCPQWQSHIQZNDA-AWEZNQCLSA-N 0 3 295.427 2.008 10 0 CEAEHN CCCN[C@](C)(CN(C)CC1CCCC1)C(=O)OC ZINC000110840941 186328473 /nfs/dbraw/zinc/32/84/73/186328473.db2.gz SMJOMQJHGAJHDS-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1O[C@@H]1CCCCNC1=O ZINC000110959951 186337145 /nfs/dbraw/zinc/33/71/45/186337145.db2.gz REKVFULCJJBSNV-TZMCWYRMSA-N 0 3 276.380 2.323 10 0 CEAEHN CCN1CCN(Cc2cc([C@@H](C)O)ccc2OC)C[C@@H]1C ZINC000110735718 186317093 /nfs/dbraw/zinc/31/70/93/186317093.db2.gz SHCNIQQXPNFSCU-UONOGXRCSA-N 0 3 292.423 2.275 10 0 CEAEHN C[C@H]1CCC(=O)[C@H](CN2CCN(C)C(C)(C)C2)C1 ZINC000110744126 186318385 /nfs/dbraw/zinc/31/83/85/186318385.db2.gz MICCIVTXSXIZMG-STQMWFEESA-N 0 3 252.402 2.018 10 0 CEAEHN CCNCc1oc(CN2CCN(C)C(C)(C)C2)cc1C ZINC000110755325 186321469 /nfs/dbraw/zinc/32/14/69/186321469.db2.gz ZWCIJUQSUPMJGD-UHFFFAOYSA-N 0 3 279.428 2.224 10 0 CEAEHN C[C@@H]1CN(Cc2ccc3c(c2)CCCN3)CCN1C ZINC000110762436 186322470 /nfs/dbraw/zinc/32/24/70/186322470.db2.gz CMXXFWOOBLPKSE-CYBMUJFWSA-N 0 3 259.397 2.181 10 0 CEAEHN NC[C@@H](Cc1cccc(F)c1F)C(=O)N1CCCCCC1 ZINC000111037575 186346869 /nfs/dbraw/zinc/34/68/69/186346869.db2.gz IYFDTHXKXLSESF-CYBMUJFWSA-N 0 3 296.361 2.485 10 0 CEAEHN CN(Cc1nc2cc(N)ccc2[nH]1)CC1CCOCC1 ZINC000111156407 186361630 /nfs/dbraw/zinc/36/16/30/186361630.db2.gz BDBZGNGJKKSYDV-UHFFFAOYSA-N 0 3 274.368 2.004 10 0 CEAEHN CN(Cc1nc2ccc(N)cc2[nH]1)CC1CCOCC1 ZINC000111156407 186361631 /nfs/dbraw/zinc/36/16/31/186361631.db2.gz BDBZGNGJKKSYDV-UHFFFAOYSA-N 0 3 274.368 2.004 10 0 CEAEHN CN(C[C@H]1CCCOC1)[C@@H](CN)c1cc(F)ccc1F ZINC000111158229 186362947 /nfs/dbraw/zinc/36/29/47/186362947.db2.gz OLCGRFYNKULWCF-ABAIWWIYSA-N 0 3 284.350 2.323 10 0 CEAEHN CN(CC1CCOCC1)[C@@H](CN)c1ccc(F)cc1F ZINC000111160194 186363141 /nfs/dbraw/zinc/36/31/41/186363141.db2.gz ARZLNANFWZIVCY-HNNXBMFYSA-N 0 3 284.350 2.323 10 0 CEAEHN CC(C)C[C@H](N)C(=O)N(C)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111088883 186351755 /nfs/dbraw/zinc/35/17/55/186351755.db2.gz GILXPWOHZGNQCF-CRWXNKLISA-N 0 3 252.402 2.254 10 0 CEAEHN CCOCCN(CC)C[C@H](N)c1ccc(C)cc1 ZINC000111118219 186354321 /nfs/dbraw/zinc/35/43/21/186354321.db2.gz NOLQTRGIDWDZLG-HNNXBMFYSA-N 0 3 250.386 2.353 10 0 CEAEHN CCOCCN(CC)c1cccc(CNC(C)C)n1 ZINC000111123479 186354841 /nfs/dbraw/zinc/35/48/41/186354841.db2.gz WTNZJRYFMHNSOC-UHFFFAOYSA-N 0 3 265.401 2.442 10 0 CEAEHN CN(C)CCN(C)CC(=O)c1cc2ccccc2o1 ZINC000111139818 186357267 /nfs/dbraw/zinc/35/72/67/186357267.db2.gz SBVAWFMRTGRWAZ-UHFFFAOYSA-N 0 3 260.337 2.109 10 0 CEAEHN C[C@H](NC(=O)c1ccc(CN)cn1)C1CCCCC1 ZINC000111282325 186388583 /nfs/dbraw/zinc/38/85/83/186388583.db2.gz XMBRJEYJCYTVKB-NSHDSACASA-N 0 3 261.369 2.239 10 0 CEAEHN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(CN)cn1 ZINC000111282019 186389112 /nfs/dbraw/zinc/38/91/12/186389112.db2.gz GMFKWSNXGPCYGE-BXUZGUMPSA-N 0 3 261.369 2.191 10 0 CEAEHN NCc1ccc(C(=O)Nc2ccc3ncccc3c2)nc1 ZINC000111282345 186390029 /nfs/dbraw/zinc/39/00/29/186390029.db2.gz SJLLEKUPIHAHTL-UHFFFAOYSA-N 0 3 278.315 2.341 10 0 CEAEHN CN(C)c1ncc(CN[C@H]2CCc3ccccc32)n1C ZINC000070142795 363034980 /nfs/dbraw/zinc/03/49/80/363034980.db2.gz PAULXYDMHNWWLQ-HNNXBMFYSA-N 0 3 270.380 2.263 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)[C@H](C)C1 ZINC000070114771 363032490 /nfs/dbraw/zinc/03/24/90/363032490.db2.gz YPJZSNCJSVZWCG-XOUADPBQSA-N 0 3 274.408 2.497 10 0 CEAEHN Cn1nc(C(F)(F)F)cc1-c1ncc(CN)s1 ZINC000629721892 351486935 /nfs/dbraw/zinc/48/69/35/351486935.db2.gz GPPZTKUCCQMEFS-UHFFFAOYSA-N 0 3 262.260 2.021 10 0 CEAEHN CC(C)OC[C@@H](O)CN(Cc1ccsc1)C1CC1 ZINC000070197554 363053142 /nfs/dbraw/zinc/05/31/42/363053142.db2.gz IGHBIQDPROZSRL-AWEZNQCLSA-N 0 3 269.410 2.498 10 0 CEAEHN Cc1ncccc1CN1CCC(Cn2cccn2)CC1 ZINC000122115834 187016238 /nfs/dbraw/zinc/01/62/38/187016238.db2.gz QUDKXMLXBFZTDF-UHFFFAOYSA-N 0 3 270.380 2.499 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCCS1 ZINC000123165314 187074924 /nfs/dbraw/zinc/07/49/24/187074924.db2.gz URUNCOOSNAWHAW-OLZOCXBDSA-N 0 3 287.473 2.158 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(Cc2c[nH]nc2C)C1 ZINC000122957254 187062413 /nfs/dbraw/zinc/06/24/13/187062413.db2.gz OKQWCQCKXPKCDX-AWEZNQCLSA-N 0 3 273.384 2.314 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000123573478 187099243 /nfs/dbraw/zinc/09/92/43/187099243.db2.gz ZKROFGLQOSYKRI-QGZVFWFLSA-N 0 3 276.424 2.192 10 0 CEAEHN COc1ccc(Br)c2c1CN[C@@H](C)C2 ZINC000070653039 363102160 /nfs/dbraw/zinc/10/21/60/363102160.db2.gz LUACTYRFSJGIJR-ZETCQYMHSA-N 0 3 256.143 2.492 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@H](N)C(C)C)cc1F ZINC000094956478 539888337 /nfs/dbraw/zinc/88/83/37/539888337.db2.gz OJEMFLFGZGKTAY-GXFFZTMASA-N 0 3 252.333 2.295 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2)cc1F ZINC000094956565 539888346 /nfs/dbraw/zinc/88/83/46/539888346.db2.gz KBSONPLWBFACHM-BXUZGUMPSA-N 0 3 264.344 2.453 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)CNc1ccccc1)N(C)C ZINC000153975848 188114918 /nfs/dbraw/zinc/11/49/18/188114918.db2.gz XCBLYAFOSAIBMU-UKRRQHHQSA-N 0 3 277.412 2.334 10 0 CEAEHN C[C@@H]1C[C@@H](N2CCSC3(CCOCC3)C2)CCO1 ZINC000335395263 297266989 /nfs/dbraw/zinc/26/69/89/297266989.db2.gz MJBZANYMNZVDAV-OLZOCXBDSA-N 0 3 271.426 2.152 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)COc2ccc(F)cc2)[C@@H](C)C1 ZINC000155332692 188198941 /nfs/dbraw/zinc/19/89/41/188198941.db2.gz RIOLAAGYPLMTOO-WFASDCNBSA-N 0 3 294.370 2.049 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)Cc1ccsc1 ZINC000251840794 539992427 /nfs/dbraw/zinc/99/24/27/539992427.db2.gz LKUIICNVPWYEEJ-HOSYDEDBSA-N 0 3 254.399 2.169 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc(OC)cc1)N(C)C ZINC000156787353 188281488 /nfs/dbraw/zinc/28/14/88/188281488.db2.gz MLWHSKMLHIFLIB-AWEZNQCLSA-N 0 3 264.369 2.042 10 0 CEAEHN NC1(C(=O)Nc2cccc3c2CCCC3)CCOCC1 ZINC000132059370 366114586 /nfs/dbraw/zinc/11/45/86/366114586.db2.gz BBEOVGYBQGHXAU-UHFFFAOYSA-N 0 3 274.364 2.012 10 0 CEAEHN CC(C)NCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000037822459 540180734 /nfs/dbraw/zinc/18/07/34/540180734.db2.gz IDERLDWMUGLZRR-AWEZNQCLSA-N 0 3 296.798 2.238 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)NCCN(C)C)c2ccccc21 ZINC000133936116 366269255 /nfs/dbraw/zinc/26/92/55/366269255.db2.gz MCSHOGGWSQWFEU-DOMZBBRYSA-N 0 3 275.396 2.486 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000075979490 363505021 /nfs/dbraw/zinc/50/50/21/363505021.db2.gz JVXFSKCREVWEDM-CJNGLKHVSA-N 0 3 287.407 2.142 10 0 CEAEHN C[C@H]1C[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000075979491 363505153 /nfs/dbraw/zinc/50/51/53/363505153.db2.gz JVXFSKCREVWEDM-BBRMVZONSA-N 0 3 287.407 2.142 10 0 CEAEHN CC[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCS1 ZINC000076072716 363517888 /nfs/dbraw/zinc/51/78/88/363517888.db2.gz IEPZOKOYBGRBSV-CVEARBPZSA-N 0 3 295.448 2.392 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)C(C)C ZINC000079122291 363580661 /nfs/dbraw/zinc/58/06/61/363580661.db2.gz DIQSQADQQLYHRL-QWHCGFSZSA-N 0 3 257.422 2.306 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000165391045 540300148 /nfs/dbraw/zinc/30/01/48/540300148.db2.gz DNLRJKFVBZZKEA-GBIKHYSHSA-N 0 3 274.368 2.114 10 0 CEAEHN Cc1ccc(OCCN(C)C(=O)[C@@]2(C)CCCCN2)cc1 ZINC000136149263 366498712 /nfs/dbraw/zinc/49/87/12/366498712.db2.gz HQUKXFZOXHVZCI-QGZVFWFLSA-N 0 3 290.407 2.364 10 0 CEAEHN Cc1nc(C(Cl)(Cl)Cl)nc(C)c1CN ZINC000685956207 540651670 /nfs/dbraw/zinc/65/16/70/540651670.db2.gz NWYGLMVQKFFRCN-UHFFFAOYSA-N 0 3 254.548 2.379 10 0 CEAEHN C[C@@H](NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000151271259 366634657 /nfs/dbraw/zinc/63/46/57/366634657.db2.gz QHZYRIFLHWIVDE-TZMCWYRMSA-N 0 3 298.377 2.462 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000151427204 366643274 /nfs/dbraw/zinc/64/32/74/366643274.db2.gz CUDOGXFLEZEMKB-CYBMUJFWSA-N 0 3 296.361 2.450 10 0 CEAEHN CN(C)C[C@@H](NC(=O)C[C@H]1CCCCO1)c1ccccc1 ZINC000151845095 366669347 /nfs/dbraw/zinc/66/93/47/366669347.db2.gz RDYRIXCXUJJIBX-HZPDHXFCSA-N 0 3 290.407 2.365 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(COC)c1 ZINC000176987576 189019078 /nfs/dbraw/zinc/01/90/78/189019078.db2.gz GBOGGYPFBJPXKD-MRXNPFEDSA-N 0 3 290.407 2.389 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cnc2ccccc2n1 ZINC000177019048 189021454 /nfs/dbraw/zinc/02/14/54/189021454.db2.gz NMZXBAOLQZURQS-CYBMUJFWSA-N 0 3 298.390 2.186 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C(C)=O)cc1 ZINC000177027045 189021748 /nfs/dbraw/zinc/02/17/48/189021748.db2.gz JTMBTAXUXOFXHB-MRXNPFEDSA-N 0 3 288.391 2.446 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1scnc1C ZINC000177027812 189022121 /nfs/dbraw/zinc/02/21/21/189022121.db2.gz AQUNVTARTQTVNK-LLVKDONJSA-N 0 3 267.398 2.008 10 0 CEAEHN C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1N1CCOCC1 ZINC000177250026 189039750 /nfs/dbraw/zinc/03/97/50/189039750.db2.gz MIBOMQOAFJIEFF-CJNGLKHVSA-N 0 3 294.826 2.493 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@@H]2C1)c1cc(F)ccc1F ZINC000177779321 189069395 /nfs/dbraw/zinc/06/93/95/189069395.db2.gz WPLJFZCWOLBTJC-CJNGLKHVSA-N 0 3 296.361 2.168 10 0 CEAEHN CC(C)(C)OCCCN1CCN2CCCC[C@@H]2C1 ZINC000674908898 540796514 /nfs/dbraw/zinc/79/65/14/540796514.db2.gz IJHVJHCFLDNGFQ-CQSZACIVSA-N 0 3 254.418 2.362 10 0 CEAEHN c1nc2n(n1)C[C@H](N[C@@H]1CCSc3ccccc31)CC2 ZINC000180579262 189262926 /nfs/dbraw/zinc/26/29/26/189262926.db2.gz CYWDOHVLOZZGNK-DGCLKSJQSA-N 0 3 286.404 2.420 10 0 CEAEHN CC(C)c1nnc2n1C[C@H](N[C@H](C)c1ccccn1)CC2 ZINC000180505013 189259468 /nfs/dbraw/zinc/25/94/68/189259468.db2.gz CDGCGAQYDQBHPM-CHWSQXEVSA-N 0 3 285.395 2.462 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cccc(Cl)c2F)C1 ZINC000152148321 366691680 /nfs/dbraw/zinc/69/16/80/366691680.db2.gz VWMCXSONLLWOSC-VIFPVBQESA-N 0 3 270.735 2.255 10 0 CEAEHN Cc1ccc(CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000181535914 189299747 /nfs/dbraw/zinc/29/97/47/189299747.db2.gz DGVFMQLSUYPMES-MRXNPFEDSA-N 0 3 274.408 2.480 10 0 CEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1cccc(Cl)c1 ZINC000023249607 361596235 /nfs/dbraw/zinc/59/62/35/361596235.db2.gz JOGUAGZZKRAUCJ-CQSZACIVSA-N 0 3 293.798 2.059 10 0 CEAEHN C[C@@H]1CNC[C@H](c2cccc(Br)c2)O1 ZINC000032108963 361727242 /nfs/dbraw/zinc/72/72/42/361727242.db2.gz QBQFLRSLORLINS-LDYMZIIASA-N 0 3 256.143 2.499 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCc1ncc[nH]1 ZINC000089150755 363938611 /nfs/dbraw/zinc/93/86/11/363938611.db2.gz RDAFCEWLMYZHQT-VXGBXAGGSA-N 0 3 294.399 2.193 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1cnn(-c2ccccc2)c1 ZINC000089160838 363940830 /nfs/dbraw/zinc/94/08/30/363940830.db2.gz GCAVFDPUMHDBEB-GDBMZVCRSA-N 0 3 271.364 2.123 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccs1 ZINC000092677485 364095972 /nfs/dbraw/zinc/09/59/72/364095972.db2.gz YCKVTRKHUGOFRA-LLVKDONJSA-N 0 3 252.383 2.304 10 0 CEAEHN Cc1c(CNCCCn2cnc3ccccc32)cnn1C ZINC000093649304 364208344 /nfs/dbraw/zinc/20/83/44/364208344.db2.gz DTKJTJMTYMCPFU-UHFFFAOYSA-N 0 3 283.379 2.258 10 0 CEAEHN O[C@H](CN1CCN2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000094464020 364275472 /nfs/dbraw/zinc/27/54/72/364275472.db2.gz OYICYUWTXINQBW-HUUCEWRRSA-N 0 3 286.375 2.246 10 0 CEAEHN C[C@H]1CNCCN1c1nc2ccccc2nc1NC1CC1 ZINC000095069588 364330009 /nfs/dbraw/zinc/33/00/09/364330009.db2.gz RAGBGZCCYDMZOX-NSHDSACASA-N 0 3 283.379 2.002 10 0 CEAEHN Cc1nc2ccc(F)cc2c(N2CCO[C@H](CO)C2)c1C ZINC000095944335 364394056 /nfs/dbraw/zinc/39/40/56/364394056.db2.gz OZBRTBOADXQZGE-ZDUSSCGKSA-N 0 3 290.338 2.188 10 0 CEAEHN CCc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)[nH]n1 ZINC000097218559 364481363 /nfs/dbraw/zinc/48/13/63/364481363.db2.gz SRISMHPTVGOIGY-OAHLLOKOSA-N 0 3 286.379 2.005 10 0 CEAEHN c1ccc(CCN2CC[C@H](CNc3ccccn3)C2)nc1 ZINC000103473842 364658372 /nfs/dbraw/zinc/65/83/72/364658372.db2.gz ICBTZAHMOOWCGY-OAHLLOKOSA-N 0 3 282.391 2.453 10 0 CEAEHN CCOc1ccnc(N2CCN(CCC(C)C)CC2)n1 ZINC000106152359 364704693 /nfs/dbraw/zinc/70/46/93/364704693.db2.gz XLIMWOTUYUAWMR-UHFFFAOYSA-N 0 3 278.400 2.043 10 0 CEAEHN CCc1nc([C@H](C)NC(=O)N2CC[C@@H](N(C)C)C2)cs1 ZINC000111895109 364766918 /nfs/dbraw/zinc/76/69/18/364766918.db2.gz GYUUVEVKFBVMJN-WDEREUQCSA-N 0 3 296.440 2.112 10 0 CEAEHN C[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000112046189 364769902 /nfs/dbraw/zinc/76/99/02/364769902.db2.gz URKMVWUPXADYHW-UKRRQHHQSA-N 0 3 260.381 2.028 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC000112046801 364770941 /nfs/dbraw/zinc/77/09/41/364770941.db2.gz HBUGSVMYZFGPCI-HOCLYGCPSA-N 0 3 274.408 2.466 10 0 CEAEHN CCn1cc(CNC(C)(C)CNC(=O)OC(C)(C)C)cn1 ZINC000112098573 364773500 /nfs/dbraw/zinc/77/35/00/364773500.db2.gz HXSUBTBNCZWONV-UHFFFAOYSA-N 0 3 296.415 2.296 10 0 CEAEHN Cc1ncccc1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000335729317 364896785 /nfs/dbraw/zinc/89/67/85/364896785.db2.gz BTNOFHSCEDMOKW-CZUORRHYSA-N 0 3 259.397 2.449 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000115361954 365002100 /nfs/dbraw/zinc/00/21/00/365002100.db2.gz UZPLAKKLTPJFJN-AWEZNQCLSA-N 0 3 276.355 2.020 10 0 CEAEHN NC[C@H]1CN(c2cc(Cl)cc(Cl)c2)C(=O)O1 ZINC000019669226 541444578 /nfs/dbraw/zinc/44/45/78/541444578.db2.gz AYQKEYCSKUSUQT-VIFPVBQESA-N 0 3 261.108 2.277 10 0 CEAEHN Cc1ncc(CN2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000116320469 365051308 /nfs/dbraw/zinc/05/13/08/365051308.db2.gz KEQSAGHFIVXHBU-NSHDSACASA-N 0 3 262.382 2.175 10 0 CEAEHN CC(C)CCn1cccc1CN[C@H]1CCc2ncnn2C1 ZINC000119120692 365220325 /nfs/dbraw/zinc/22/03/25/365220325.db2.gz DSOQXDYCHOOREM-AWEZNQCLSA-N 0 3 287.411 2.230 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1cccc(F)c1F ZINC000282484026 299358456 /nfs/dbraw/zinc/35/84/56/299358456.db2.gz XAXZMZCAPKTKLG-YGOYTEALSA-N 0 3 268.307 2.283 10 0 CEAEHN CN(Cc1ccco1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120166999 365383819 /nfs/dbraw/zinc/38/38/19/365383819.db2.gz GGCNDMRCCBRFAN-CYBMUJFWSA-N 0 3 272.352 2.170 10 0 CEAEHN CCC[C@H](C(=O)NCc1cc(C)cc(OC)c1)N(C)C ZINC000120299544 365403265 /nfs/dbraw/zinc/40/32/65/365403265.db2.gz YOWRSQCQZTWOKW-OAHLLOKOSA-N 0 3 278.396 2.350 10 0 CEAEHN C[C@@H]1CCN(C)CCN1C(=O)N[C@@H]1CCC12CCCC2 ZINC000336124139 365442503 /nfs/dbraw/zinc/44/25/03/365442503.db2.gz DJVLBQKUXXDZFT-ZIAGYGMSSA-N 0 3 279.428 2.445 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1cc(F)cc(F)c1 ZINC000282432274 299359914 /nfs/dbraw/zinc/35/99/14/299359914.db2.gz TZZHUMNVDNGEBJ-MWODSPESSA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@@H]1COC[C@@H](C)N1CCCCCn1cccn1 ZINC000120828088 365481753 /nfs/dbraw/zinc/48/17/53/365481753.db2.gz ULPJWQNNKOVMSI-ZIAGYGMSSA-N 0 3 251.374 2.163 10 0 CEAEHN CC[C@H]1CN(Cc2ccsc2)CCN1CCOC ZINC000120973121 365505504 /nfs/dbraw/zinc/50/55/04/365505504.db2.gz BCLFKCOCLXEGIO-AWEZNQCLSA-N 0 3 268.426 2.291 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C(C)C ZINC000245426157 370818144 /nfs/dbraw/zinc/81/81/44/370818144.db2.gz URLBPMKDIWDQAJ-CHWSQXEVSA-N 0 3 255.406 2.157 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](C)N(C)c1ccccc1)N(C)C ZINC000161584893 367099960 /nfs/dbraw/zinc/09/99/60/367099960.db2.gz RAAKBJVFSXVGPF-GDBMZVCRSA-N 0 3 291.439 2.358 10 0 CEAEHN COc1ccc(C(C)(C)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000162595931 367172705 /nfs/dbraw/zinc/17/27/05/367172705.db2.gz OCWLKSRCQDCFHA-AWEZNQCLSA-N 0 3 290.407 2.135 10 0 CEAEHN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCO[C@@H](CN(C)C)C1 ZINC000245456390 370822843 /nfs/dbraw/zinc/82/28/43/370822843.db2.gz BHXUUDYOCMRESD-STQMWFEESA-N 0 3 295.427 2.296 10 0 CEAEHN CN(CCN1CCC(C)(CO)CC1)Cc1ccc(F)cc1 ZINC000162884316 367201018 /nfs/dbraw/zinc/20/10/18/367201018.db2.gz HLBIONLZPLUYKI-UHFFFAOYSA-N 0 3 294.414 2.352 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1CNCc1cncc(Br)c1 ZINC000166903112 367331232 /nfs/dbraw/zinc/33/12/32/367331232.db2.gz NVBXDFYVAFJNNX-DGCLKSJQSA-N 0 3 299.212 2.485 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000170827612 367426250 /nfs/dbraw/zinc/42/62/50/367426250.db2.gz CZNPWLJHZJFJPQ-HOTGVXAUSA-N 0 3 287.407 2.483 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170832282 367427623 /nfs/dbraw/zinc/42/76/23/367427623.db2.gz BBEPQHYPXJJVAW-ZFWWWQNUSA-N 0 3 275.396 2.402 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000170859416 367431783 /nfs/dbraw/zinc/43/17/83/367431783.db2.gz YBWXEUWKLNZRTB-INIZCTEOSA-N 0 3 272.392 2.342 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000170858168 367431828 /nfs/dbraw/zinc/43/18/28/367431828.db2.gz YBWOZXMXFPLAQE-INIZCTEOSA-N 0 3 283.375 2.253 10 0 CEAEHN Cc1cc(C)c(OCC(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000170861674 367433783 /nfs/dbraw/zinc/43/37/83/367433783.db2.gz FYXFVYBASWCUBN-OAHLLOKOSA-N 0 3 290.407 2.153 10 0 CEAEHN CCSc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cn1 ZINC000171299782 367516828 /nfs/dbraw/zinc/51/68/28/367516828.db2.gz YGXCWCQOAZPDCW-CYBMUJFWSA-N 0 3 291.420 2.114 10 0 CEAEHN c1cnnc(NC2CCN([C@H]3C=CCCC3)CC2)c1 ZINC000171745972 367608393 /nfs/dbraw/zinc/60/83/93/367608393.db2.gz JVLSEWXKMUNXRF-AWEZNQCLSA-N 0 3 258.369 2.462 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(CCc3cccnc3)C2)no1 ZINC000172159093 367685919 /nfs/dbraw/zinc/68/59/19/367685919.db2.gz GQEDFZMGNOSRLL-OAHLLOKOSA-N 0 3 286.379 2.270 10 0 CEAEHN CC[C@@H]1CN(Cc2cc(F)cc(F)c2)CCN1C[C@H](C)O ZINC000245740534 370866659 /nfs/dbraw/zinc/86/66/59/370866659.db2.gz LQDBOZKDTLVATF-BLLLJJGKSA-N 0 3 298.377 2.242 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccccc1)N(C)C ZINC000245812521 370875507 /nfs/dbraw/zinc/87/55/07/370875507.db2.gz RAHSVGRIAARKAK-OAGGEKHMSA-N 0 3 290.407 2.363 10 0 CEAEHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc(-n2cncn2)cc1 ZINC000245957819 370893210 /nfs/dbraw/zinc/89/32/10/370893210.db2.gz MDURWOVGUGUULV-NILFDRSVSA-N 0 3 286.379 2.077 10 0 CEAEHN CCCCc1nc(CN2CCN3CCCC[C@@H]3C2)no1 ZINC000172803263 367821735 /nfs/dbraw/zinc/82/17/35/367821735.db2.gz KQXQTNBZUIVSJO-CYBMUJFWSA-N 0 3 278.400 2.082 10 0 CEAEHN C[C@H](OC1CCCCCC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000245972815 370896558 /nfs/dbraw/zinc/89/65/58/370896558.db2.gz AWICAEZFZPGHBJ-GJZGRUSLSA-N 0 3 294.439 2.421 10 0 CEAEHN Cc1cnc([C@@H](C)NC(=O)N2CCN3CCC[C@@H]3C2)s1 ZINC000174915445 368078289 /nfs/dbraw/zinc/07/82/89/368078289.db2.gz UMFLJPJZNZVNNU-VXGBXAGGSA-N 0 3 294.424 2.002 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nc(-c2ccco2)no1 ZINC000175354525 368128888 /nfs/dbraw/zinc/12/88/88/368128888.db2.gz JCGWXUQAPHFJTA-GFCCVEGCSA-N 0 3 290.367 2.246 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1nc(C)cs1 ZINC000176257159 368216527 /nfs/dbraw/zinc/21/65/27/368216527.db2.gz QQPPFVLGXDQQRS-LLVKDONJSA-N 0 3 282.413 2.400 10 0 CEAEHN CC(=O)N[C@H]1CCCN(CCCCC(=O)OC(C)(C)C)C1 ZINC000181560251 368469931 /nfs/dbraw/zinc/46/99/31/368469931.db2.gz FOTXRAGMKRZTPY-AWEZNQCLSA-N 0 3 298.427 2.099 10 0 CEAEHN CCSCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182198522 368534274 /nfs/dbraw/zinc/53/42/74/368534274.db2.gz AEQABDJRZWTMFC-LLVKDONJSA-N 0 3 287.450 2.494 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)[C@H]1C ZINC000246020219 370900104 /nfs/dbraw/zinc/90/01/04/370900104.db2.gz OMZLWICSKRVVHU-RFGFWPKPSA-N 0 3 267.417 2.157 10 0 CEAEHN CC[C@H](C)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000246226816 370932252 /nfs/dbraw/zinc/93/22/52/370932252.db2.gz MCXFUJQRAKVOJV-SWLSCSKDSA-N 0 3 265.401 2.247 10 0 CEAEHN COCCN(CCC1C[C@H](C)C[C@@H](C)C1)[C@H](C)C(N)=O ZINC000246162281 370918491 /nfs/dbraw/zinc/91/84/91/370918491.db2.gz DLBNRGXZMBQQMJ-MGPQQGTHSA-N 0 3 284.444 2.271 10 0 CEAEHN C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1cn(C)c2ccccc12 ZINC000185304447 368784146 /nfs/dbraw/zinc/78/41/46/368784146.db2.gz UHRWCKKNPDIDHK-UONOGXRCSA-N 0 3 299.418 2.444 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2c(C)noc2C2CC2)C1 ZINC000185813436 368866262 /nfs/dbraw/zinc/86/62/62/368866262.db2.gz HIVJSPQNDKBYSV-GFCCVEGCSA-N 0 3 292.383 2.466 10 0 CEAEHN CCC[C@H](C(=O)NCC1(OC)CCCCC1)N(C)C ZINC000186348035 368960902 /nfs/dbraw/zinc/96/09/02/368960902.db2.gz GLUYHGMNJXUZLB-CYBMUJFWSA-N 0 3 270.417 2.182 10 0 CEAEHN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)CCC1CC1 ZINC000186388933 368966577 /nfs/dbraw/zinc/96/65/77/368966577.db2.gz UNQHIRBBQSCGRV-DGCLKSJQSA-N 0 3 278.400 2.428 10 0 CEAEHN COc1cc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C)ccc1F ZINC000348332585 369007939 /nfs/dbraw/zinc/00/79/39/369007939.db2.gz BBTVJEGBIZPRBK-OUJBWJOFSA-N 0 3 280.343 2.152 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H](C)C2CCS(=O)(=O)CC2)o1 ZINC000186934552 369071219 /nfs/dbraw/zinc/07/12/19/369071219.db2.gz WKBDMPZERUUDTD-RYUDHWBXSA-N 0 3 285.409 2.452 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc(F)c(OC)c2)C1 ZINC000164102014 541750123 /nfs/dbraw/zinc/75/01/23/541750123.db2.gz DPZGPXYKYBSKMJ-GXTWGEPZSA-N 0 3 296.386 2.206 10 0 CEAEHN CC1(c2ccccc2)CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188975939 369437270 /nfs/dbraw/zinc/43/72/70/369437270.db2.gz IHDLGCCYRFMCHW-LSDHHAIUSA-N 0 3 290.382 2.267 10 0 CEAEHN CCc1ncsc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000246364130 370951008 /nfs/dbraw/zinc/95/10/08/370951008.db2.gz XSQOJLALGVHZPG-GHMZBOCLSA-N 0 3 279.409 2.014 10 0 CEAEHN C[C@](O)(CN1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000246433586 370960650 /nfs/dbraw/zinc/96/06/50/370960650.db2.gz BCHLWYDQBSWDKH-MSOLQXFVSA-N 0 3 298.386 2.442 10 0 CEAEHN C[C@@H](CCc1ccccc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246389896 370954668 /nfs/dbraw/zinc/95/46/68/370954668.db2.gz PGDRWCBHZZOBRZ-RDJZCZTQSA-N 0 3 276.424 2.270 10 0 CEAEHN C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@H]1CN(C)CCO1 ZINC000246500162 370970062 /nfs/dbraw/zinc/97/00/62/370970062.db2.gz SNDMPEBMERZYJC-IGCXYCKISA-N 0 3 292.398 2.369 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCN1CCCCC1 ZINC000077264812 284189659 /nfs/dbraw/zinc/18/96/59/284189659.db2.gz PIEVESYZXHHKAL-PMPSAXMXSA-N 0 3 294.439 2.278 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC1=CCCOC1 ZINC000246177770 284192103 /nfs/dbraw/zinc/19/21/03/284192103.db2.gz ISDSIOBSPNSBGJ-KFWWJZLASA-N 0 3 279.380 2.139 10 0 CEAEHN c1cnnc(NC2CCN(C[C@@H]3CCC=CO3)CC2)c1 ZINC000193893997 369990492 /nfs/dbraw/zinc/99/04/92/369990492.db2.gz QCKPIFKPDZATBV-AWEZNQCLSA-N 0 3 274.368 2.046 10 0 CEAEHN COc1cc2c(cc1Br)OCC[C@H]2N ZINC000218281811 370208353 /nfs/dbraw/zinc/20/83/53/370208353.db2.gz BLZRRFCKKDNLBE-MRVPVSSYSA-N 0 3 258.115 2.240 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCOCC(F)F ZINC000230415996 370460351 /nfs/dbraw/zinc/46/03/51/370460351.db2.gz ZBMJPYAOOGRHTP-CHWSQXEVSA-N 0 3 276.371 2.217 10 0 CEAEHN CN(C(=O)c1cscc1Cl)[C@H](CN)C(F)(F)F ZINC000638435278 370528279 /nfs/dbraw/zinc/52/82/79/370528279.db2.gz ULUMPFHJYXVMHZ-SSDOTTSWSA-N 0 3 286.706 2.363 10 0 CEAEHN C[C@H](O)CN1CCN(CCSc2ccccc2)C[C@H]1C ZINC000246694433 370995617 /nfs/dbraw/zinc/99/56/17/370995617.db2.gz KIGFEWQDOHKEJB-CABCVRRESA-N 0 3 294.464 2.166 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1csc(C2CC2)n1 ZINC000247025548 371049232 /nfs/dbraw/zinc/04/92/32/371049232.db2.gz GEPFJSZBEWOPHS-JQWIXIFHSA-N 0 3 291.420 2.329 10 0 CEAEHN Cc1nnc([C@@H](C)N2CCC[C@H]2Cn2ccnc2C)o1 ZINC000247032218 371050604 /nfs/dbraw/zinc/05/06/04/371050604.db2.gz MLKQGMSKGRMWIF-MFKMUULPSA-N 0 3 275.356 2.109 10 0 CEAEHN COc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000246766723 371007905 /nfs/dbraw/zinc/00/79/05/371007905.db2.gz ASZUIZMDQZIHNY-OCCSQVGLSA-N 0 3 274.364 2.004 10 0 CEAEHN CSc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)o1 ZINC000246795461 371011517 /nfs/dbraw/zinc/01/15/17/371011517.db2.gz BRDVGCCXTVGUPX-QWRGUYRKSA-N 0 3 280.393 2.310 10 0 CEAEHN CCCc1ncc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)s1 ZINC000246815695 371015512 /nfs/dbraw/zinc/01/55/12/371015512.db2.gz SFGQEPRWTABUFP-VXGBXAGGSA-N 0 3 293.436 2.404 10 0 CEAEHN CC(=O)c1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000246973472 371038591 /nfs/dbraw/zinc/03/85/91/371038591.db2.gz GCWLPEUSCCXNBU-BLLLJJGKSA-N 0 3 288.391 2.348 10 0 CEAEHN C[C@H](Oc1ccccc1)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000247170921 371073561 /nfs/dbraw/zinc/07/35/61/371073561.db2.gz KSHJKSDZCYOMAT-KKUMJFAQSA-N 0 3 288.391 2.149 10 0 CEAEHN COCc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000247485602 371114130 /nfs/dbraw/zinc/11/41/30/371114130.db2.gz WMYZUSHSIVEAFZ-XJKSGUPXSA-N 0 3 290.407 2.292 10 0 CEAEHN CCCCC[C@@H](C)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247506088 371117008 /nfs/dbraw/zinc/11/70/08/371117008.db2.gz OPXIBKNRCDYYNS-KGLIPLIRSA-N 0 3 267.417 2.445 10 0 CEAEHN CCN1CCCC[C@H]1CNC(=O)N1CCS[C@@H](C)C1 ZINC000247510609 371119019 /nfs/dbraw/zinc/11/90/19/371119019.db2.gz PMNXKHXLXJIWHN-STQMWFEESA-N 0 3 285.457 2.008 10 0 CEAEHN CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000248471033 371200742 /nfs/dbraw/zinc/20/07/42/371200742.db2.gz IMDNMZGWCIENGW-IXYNUQLISA-N 0 3 264.413 2.364 10 0 CEAEHN Cc1ccc(CN2CCN3CCCC[C@H]3C2)c(C)n1 ZINC000248555966 371210777 /nfs/dbraw/zinc/21/07/77/371210777.db2.gz KOVFPKLVLTUDQI-INIZCTEOSA-N 0 3 259.397 2.369 10 0 CEAEHN Cc1ccc2nccc(N3CCN(C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730174 371239686 /nfs/dbraw/zinc/23/96/86/371239686.db2.gz MLMVWFSMCTVGJE-LSDHHAIUSA-N 0 3 299.418 2.435 10 0 CEAEHN CC[C@H](C)[C@H](C)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000249762757 371360850 /nfs/dbraw/zinc/36/08/50/371360850.db2.gz HCVCJNFTMCZDGD-AVGNSLFASA-N 0 3 255.406 2.205 10 0 CEAEHN C[C@H]1C[C@H](CCN2CCN(CCO)[C@@H](C)C2)C[C@@H](C)C1 ZINC000249564172 371338309 /nfs/dbraw/zinc/33/83/09/371338309.db2.gz MNVDTXFMCSWWNV-VVLHAWIVSA-N 0 3 282.472 2.447 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC000249612431 371347047 /nfs/dbraw/zinc/34/70/47/371347047.db2.gz QGYHOAATXKTGAX-LSDHHAIUSA-N 0 3 290.407 2.363 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCc1cccnc1 ZINC000252662311 371463592 /nfs/dbraw/zinc/46/35/92/371463592.db2.gz XGVMXYLTNGPSRL-ZBFHGGJFSA-N 0 3 259.397 2.183 10 0 CEAEHN CC(C)COCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000253060421 371492973 /nfs/dbraw/zinc/49/29/73/371492973.db2.gz DBTWEOKFMJOICM-CABCVRRESA-N 0 3 254.418 2.218 10 0 CEAEHN COc1cccc(N[C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261862730 371755077 /nfs/dbraw/zinc/75/50/77/371755077.db2.gz CIHBGTPRUUHIIE-BZUAXINKSA-N 0 3 276.380 2.264 10 0 CEAEHN CCC1CCC(CNC(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261903166 371767206 /nfs/dbraw/zinc/76/72/06/371767206.db2.gz WTWWRJZCPPNFQR-SSDMNJCBSA-N 0 3 282.428 2.073 10 0 CEAEHN N[C@@H](C(=O)Nc1cccc(Cl)c1)C1CCOCC1 ZINC000261975867 371788174 /nfs/dbraw/zinc/78/81/74/371788174.db2.gz LUAAHJPUJPWUTL-GFCCVEGCSA-N 0 3 268.744 2.032 10 0 CEAEHN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C1(N)CCCC1 ZINC000262495295 371867927 /nfs/dbraw/zinc/86/79/27/371867927.db2.gz YYGQUFOYGPOCQT-HNNXBMFYSA-N 0 3 290.407 2.148 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000262631347 371888118 /nfs/dbraw/zinc/88/81/18/371888118.db2.gz FECYGEVZDLMDOH-ZWNOBZJWSA-N 0 3 272.352 2.389 10 0 CEAEHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000262741820 371904614 /nfs/dbraw/zinc/90/46/14/371904614.db2.gz DUOLWTJVCVBKJU-JULQROHOSA-N 0 3 294.345 2.277 10 0 CEAEHN Clc1ccc2c(c1)CC[C@@H]2NCCn1cncn1 ZINC000268837786 372248144 /nfs/dbraw/zinc/24/81/44/372248144.db2.gz QAAUPRFJVJRNKZ-ZDUSSCGKSA-N 0 3 262.744 2.209 10 0 CEAEHN CCc1cc(NC(=O)[C@@]2(COC)CCCN2)ccc1C ZINC000643779120 373266291 /nfs/dbraw/zinc/26/62/91/373266291.db2.gz QVKZTECOKAMACN-INIZCTEOSA-N 0 3 276.380 2.265 10 0 CEAEHN Clc1ccc(Cc2noc([C@@H]3CNCCOC3)n2)cc1 ZINC000644512872 373503995 /nfs/dbraw/zinc/50/39/95/373503995.db2.gz HBAORHKYRGRPBX-LLVKDONJSA-N 0 3 293.754 2.017 10 0 CEAEHN CC(C)c1nc([C@H]2CCCN(C[C@@H]3CCOC3)C2)no1 ZINC000377489443 374864442 /nfs/dbraw/zinc/86/44/42/374864442.db2.gz ADSCTLTWTNIMMQ-STQMWFEESA-N 0 3 279.384 2.409 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc(OC)cc2F)C1 ZINC000165243395 541987163 /nfs/dbraw/zinc/98/71/63/541987163.db2.gz XYUQIXPWVNYLAL-GXTWGEPZSA-N 0 3 296.386 2.206 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC2([S@@](C)=O)CCC2)c1C ZINC000393705229 375325868 /nfs/dbraw/zinc/32/58/68/375325868.db2.gz KAYJSUKDQLOLNQ-BIBXISHDSA-N 0 3 297.468 2.472 10 0 CEAEHN CC[C@H](N[C@@H]1CCN(CC)C1)c1ccc(F)cn1 ZINC000389240904 375300515 /nfs/dbraw/zinc/30/05/15/375300515.db2.gz KTGHOWVQPKFUBI-OLZOCXBDSA-N 0 3 251.349 2.356 10 0 CEAEHN CCN1CC[C@H](N[C@H](C)c2nc3ccccc3n2C)C1 ZINC000389268515 375302347 /nfs/dbraw/zinc/30/23/47/375302347.db2.gz QLDXUOGIUWJGAD-OLZOCXBDSA-N 0 3 272.396 2.318 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cnc(C(C)(C)C)s1 ZINC000282264346 375442579 /nfs/dbraw/zinc/44/25/79/375442579.db2.gz HGDWKAULCNOXFQ-MWLCHTKSSA-N 0 3 281.425 2.197 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(C(F)F)c1 ZINC000282268429 375443977 /nfs/dbraw/zinc/44/39/77/375443977.db2.gz HMKIADANPLWETF-CABZTGNLSA-N 0 3 268.307 2.381 10 0 CEAEHN COc1ccccc1[C@H](C)N[C@H]1CCC(=O)N[C@@H]1C ZINC000282290743 375448679 /nfs/dbraw/zinc/44/86/79/375448679.db2.gz LRJWBJJUAQPUOA-LOWVWBTDSA-N 0 3 262.353 2.013 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1N[C@@H]1CCSc2ccccc21 ZINC000282507655 375501372 /nfs/dbraw/zinc/50/13/72/375501372.db2.gz YPNXEUGDBJVSJM-CYZMBNFOSA-N 0 3 276.405 2.480 10 0 CEAEHN COc1ccc(Cl)cc1CN[C@H]1CCC(=O)N[C@@H]1C ZINC000282524228 375507317 /nfs/dbraw/zinc/50/73/17/375507317.db2.gz YMFBWTVSYNFLME-SKDRFNHKSA-N 0 3 282.771 2.105 10 0 CEAEHN Cc1cnn(C)c1CN[C@@H](C)COCc1ccccc1 ZINC000286294175 375902909 /nfs/dbraw/zinc/90/29/09/375902909.db2.gz CEDQDTDCXZAMNT-AWEZNQCLSA-N 0 3 273.380 2.423 10 0 CEAEHN CCOC(=O)c1c(Br)cccc1CN ZINC000260527022 190039134 /nfs/dbraw/zinc/03/91/34/190039134.db2.gz SKSIQBZURJTOPJ-UHFFFAOYSA-N 0 3 258.115 2.085 10 0 CEAEHN C[C@@H]1[C@@H](N2CCCNC2=O)CCN1Cc1ccccc1 ZINC000306716663 376553555 /nfs/dbraw/zinc/55/35/55/376553555.db2.gz BRZFYBHZSWVLAT-HIFRSBDPSA-N 0 3 273.380 2.065 10 0 CEAEHN Cc1ncc(CN2CCC[C@H]2Cn2ccnc2)s1 ZINC000177101925 542244278 /nfs/dbraw/zinc/24/42/78/542244278.db2.gz GKPYPDGDAADYQN-LBPRGKRZSA-N 0 3 262.382 2.313 10 0 CEAEHN CCCN1CCCN(c2nc(C(C)C)no2)CC1 ZINC000301395597 379273834 /nfs/dbraw/zinc/27/38/34/379273834.db2.gz LSIZKSUMAPEIJT-UHFFFAOYSA-N 0 3 252.362 2.115 10 0 CEAEHN OCCC[C@@H]1CCCN1Cc1ccc2c(c1)OCCO2 ZINC000304344248 379559207 /nfs/dbraw/zinc/55/92/07/379559207.db2.gz UCKJJMMOGPEOOH-AWEZNQCLSA-N 0 3 277.364 2.195 10 0 CEAEHN C[C@H]1C[C@H](O)CN(Cc2ccc3ccccc3n2)C1 ZINC000334746877 207007857 /nfs/dbraw/zinc/00/78/57/207007857.db2.gz RZIVMLVCDOTBKL-WFASDCNBSA-N 0 3 256.349 2.438 10 0 CEAEHN CNCc1ccccc1S(=O)(=O)N1[C@H](C)CCC[C@H]1C ZINC000088926265 184614689 /nfs/dbraw/zinc/61/46/89/184614689.db2.gz KCQZOKQWGFLLRR-CHWSQXEVSA-N 0 3 296.436 2.358 10 0 CEAEHN CC[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCCO1 ZINC000281277698 195176841 /nfs/dbraw/zinc/17/68/41/195176841.db2.gz GEZPPSYRFTXGST-SJORKVTESA-N 0 3 293.407 2.065 10 0 CEAEHN N[C@H]1CCCCC[C@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081946002 177906830 /nfs/dbraw/zinc/90/68/30/177906830.db2.gz JKSOIBKSWRXYJD-NWDGAFQWSA-N 0 3 289.347 2.399 10 0 CEAEHN CCN[C@H](C)[C@H](C)S(=O)(=O)c1cc(C)ccc1C ZINC000081922217 177895063 /nfs/dbraw/zinc/89/50/63/177895063.db2.gz PVCQAOCUEKXNPI-OLZOCXBDSA-N 0 3 269.410 2.464 10 0 CEAEHN CCOC(=O)[C@@]1(NC(C)C)CC[C@H](N2CCCCC2)C1 ZINC000093823561 184725561 /nfs/dbraw/zinc/72/55/61/184725561.db2.gz RHFVNCGSTYKQGX-GOEBONIOSA-N 0 3 282.428 2.325 10 0 CEAEHN CCN[C@]1(C(N)=O)CC[C@@H](Oc2cc(C)cc(C)c2C)C1 ZINC000093846607 184732180 /nfs/dbraw/zinc/73/21/80/184732180.db2.gz DDFBEYYWWMJMPJ-RHSMWYFYSA-N 0 3 290.407 2.377 10 0 CEAEHN CCC[NH2+][C@]1(C(=O)[O-])CCC[C@H](N(CC)CC)C1 ZINC000093748600 184713434 /nfs/dbraw/zinc/71/34/34/184713434.db2.gz AJHUUVSGUQOPOG-GXTWGEPZSA-N 0 3 256.390 2.094 10 0 CEAEHN Cc1ccc(F)c([C@H](N)[C@@H]2CN(C(C)C)CCO2)c1 ZINC000093925630 184743115 /nfs/dbraw/zinc/74/31/15/184743115.db2.gz ATKRDDYMKBXWOL-GJZGRUSLSA-N 0 3 266.360 2.243 10 0 CEAEHN CCn1ccnc1C[C@H](N)c1c(F)cccc1F ZINC000094164142 184758172 /nfs/dbraw/zinc/75/81/72/184758172.db2.gz MTKYUKKVBDMKEU-NSHDSACASA-N 0 3 251.280 2.424 10 0 CEAEHN CCCNCc1ccc(OCc2cncn2CC)cn1 ZINC000094210096 184762698 /nfs/dbraw/zinc/76/26/98/184762698.db2.gz YDJFVNMVJZFPJF-UHFFFAOYSA-N 0 3 274.368 2.377 10 0 CEAEHN CCN(C(=O)[C@@](C)(N)CC)[C@H](C)c1cccc(O)c1 ZINC000094235728 184767597 /nfs/dbraw/zinc/76/75/97/184767597.db2.gz JOPDKDKXJGHLAV-ABAIWWIYSA-N 0 3 264.369 2.429 10 0 CEAEHN CNCc1ccccc1O[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000094363629 184788894 /nfs/dbraw/zinc/78/88/94/184788894.db2.gz GXUMJWNZSUXYBR-HOCLYGCPSA-N 0 3 277.364 2.123 10 0 CEAEHN CCN(CC)C(C)(C)C(=O)[C@H]1CCO[C@]2(CCOC2)C1 ZINC000094394044 184793043 /nfs/dbraw/zinc/79/30/43/184793043.db2.gz QXEHIPPHNZGMNB-XJKSGUPXSA-N 0 3 283.412 2.262 10 0 CEAEHN CN[C@H](c1cc(Cl)cnc1N)[C@H]1CSCCS1 ZINC000094499162 184810416 /nfs/dbraw/zinc/81/04/16/184810416.db2.gz JQHHIPXDQVPQGS-NXEZZACHSA-N 0 3 289.857 2.426 10 0 CEAEHN CC(C)[NH2+]Cc1cc(=O)[n-]c([C@@H]2CSCCS2)n1 ZINC000094500650 184811206 /nfs/dbraw/zinc/81/12/06/184811206.db2.gz IDGAIYFFLDPMKQ-JTQLQIEISA-N 0 3 285.438 2.201 10 0 CEAEHN CN[C@@H](c1ccc(C(C)(C)C)cc1)[C@H]1CN2CCN1CC2 ZINC000094509459 184811896 /nfs/dbraw/zinc/81/18/96/184811896.db2.gz KCMZACCNKROYKD-SJORKVTESA-N 0 3 287.451 2.244 10 0 CEAEHN CCCNCc1ccc(OC)cc1O[C@H](C)[C@H](C)O ZINC000094653114 184834937 /nfs/dbraw/zinc/83/49/37/184834937.db2.gz GTXCJWUBNZSCFS-NWDGAFQWSA-N 0 3 267.369 2.343 10 0 CEAEHN CCCN[C@@H](C(N)=O)c1ccc(OC)c2ccccc21 ZINC000094692594 184840407 /nfs/dbraw/zinc/84/04/07/184840407.db2.gz RYNPNWBGRFEFHD-OAHLLOKOSA-N 0 3 272.348 2.374 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1ccc(F)cc1 ZINC000282208548 195538048 /nfs/dbraw/zinc/53/80/48/195538048.db2.gz DDMQESCONDHJRO-CWSCBRNRSA-N 0 3 250.317 2.143 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)cn1 ZINC000282502178 195629365 /nfs/dbraw/zinc/62/93/65/195629365.db2.gz YGFQWAKPYMQECL-AUTRQRHGSA-N 0 3 267.760 2.053 10 0 CEAEHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cncs1 ZINC000190428866 130101936 /nfs/dbraw/zinc/10/19/36/130101936.db2.gz CHLHEOHNCRLJIN-STQMWFEESA-N 0 3 292.408 2.369 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000262577314 131235266 /nfs/dbraw/zinc/23/52/66/131235266.db2.gz OXCWMTIABQXDLR-CQSZACIVSA-N 0 3 278.371 2.392 10 0 CEAEHN COc1cc(N2CCN[C@@H](C)C2)c(OC)cc1Cl ZINC000083517930 135026825 /nfs/dbraw/zinc/02/68/25/135026825.db2.gz BZRVNFHIBUIMHC-VIFPVBQESA-N 0 3 270.760 2.155 10 0 CEAEHN N[C@@H]1CCCN(c2ccc(Br)c(F)c2)C1=O ZINC000083826879 135031357 /nfs/dbraw/zinc/03/13/57/135031357.db2.gz GEQKWPGPCKPUPK-SNVBAGLBSA-N 0 3 287.132 2.042 10 0 CEAEHN NC1(C(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000088130883 135052594 /nfs/dbraw/zinc/05/25/94/135052594.db2.gz PZNWVAOZMWMDMS-UHFFFAOYSA-N 0 3 259.353 2.107 10 0 CEAEHN NCc1cccnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000088416200 135054367 /nfs/dbraw/zinc/05/43/67/135054367.db2.gz WFVMPGBJWZRYPV-JTQLQIEISA-N 0 3 259.275 2.319 10 0 CEAEHN Cc1cccc2c1N(C(=O)C[C@@H]1CSCCN1)CCC2 ZINC000091138387 135067286 /nfs/dbraw/zinc/06/72/86/135067286.db2.gz MRLDDOLBZMVXNS-CQSZACIVSA-N 0 3 290.432 2.369 10 0 CEAEHN C[C@H](O)C(C)(C)CN1CCN(c2ccccc2)CC1 ZINC000091405656 135068980 /nfs/dbraw/zinc/06/89/80/135068980.db2.gz MOPYBGJDYNBQMK-AWEZNQCLSA-N 0 3 262.397 2.216 10 0 CEAEHN CNCc1cncc(N2CCc3sccc3[C@@H]2C)n1 ZINC000091419861 135069524 /nfs/dbraw/zinc/06/95/24/135069524.db2.gz DNRHIMYEAIMCQL-JTQLQIEISA-N 0 3 274.393 2.381 10 0 CEAEHN Cc1ccc2c(c1)CCCN2C[C@H]1Cc2nc[nH]c2CN1 ZINC000092798519 135077575 /nfs/dbraw/zinc/07/75/75/135077575.db2.gz GJXNJAKFABHGMR-CQSZACIVSA-N 0 3 282.391 2.185 10 0 CEAEHN COCCN(CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H](C)C(N)=O ZINC000246162276 394510012 /nfs/dbraw/zinc/51/00/12/394510012.db2.gz DLBNRGXZMBQQMJ-LJISPDSOSA-N 0 3 284.444 2.271 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCc2ccsc2)C1 ZINC000052525970 394558186 /nfs/dbraw/zinc/55/81/86/394558186.db2.gz WQGOKRJLLSMAAE-CYBMUJFWSA-N 0 3 281.425 2.074 10 0 CEAEHN COCCN(C)CCCNC(=O)N[C@H](C)c1cccs1 ZINC000061259374 394568072 /nfs/dbraw/zinc/56/80/72/394568072.db2.gz WEPNDUKBNYRVLU-GFCCVEGCSA-N 0 3 299.440 2.077 10 0 CEAEHN CC[C@@H]1C[C@@H](C(=O)N(C)C[C@H]2CCCN2CC)CCO1 ZINC000248589342 394543686 /nfs/dbraw/zinc/54/36/86/394543686.db2.gz RKGSRNGIZNFULK-RRFJBIMHSA-N 0 3 282.428 2.134 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CCCc2cccnc21 ZINC000248844520 394548027 /nfs/dbraw/zinc/54/80/27/394548027.db2.gz SPTRJLGTLMEBBW-KBMXLJTQSA-N 0 3 299.418 2.197 10 0 CEAEHN CCc1nc(CN(C)C(=O)[C@H](N)[C@@H](C)CC)cs1 ZINC000328505056 394552633 /nfs/dbraw/zinc/55/26/33/394552633.db2.gz ZGVDMWBLZUETFI-JOYOIKCWSA-N 0 3 269.414 2.037 10 0 CEAEHN CNC(=O)c1ccc([C@H]2CCCCN2CC2CC2)n1C ZINC000328654721 394553621 /nfs/dbraw/zinc/55/36/21/394553621.db2.gz XSOBLGOAVJVHBB-CQSZACIVSA-N 0 3 275.396 2.322 10 0 CEAEHN CCC1(CNC(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000078896805 394627612 /nfs/dbraw/zinc/62/76/12/394627612.db2.gz CBLWZVLVODWCTL-CYBMUJFWSA-N 0 3 269.433 2.452 10 0 CEAEHN CCOCCN1CCN(CCOC(C)(C)C)C[C@H]1CC ZINC000105838548 394722544 /nfs/dbraw/zinc/72/25/44/394722544.db2.gz SQPICOIHWZRUFL-OAHLLOKOSA-N 0 3 286.460 2.234 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000155473149 395028514 /nfs/dbraw/zinc/02/85/14/395028514.db2.gz FDIFRECNBGZWNH-PWSUYJOCSA-N 0 3 283.803 2.137 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1cc(F)c(F)c(F)c1 ZINC000180602245 395205227 /nfs/dbraw/zinc/20/52/27/395205227.db2.gz RHAXNYXPDKAFLJ-WCBMZHEXSA-N 0 3 296.296 2.361 10 0 CEAEHN CCC[C@@H](C(=O)N1CCS[C@H](C)CC1)N(C)C ZINC000191351958 395356011 /nfs/dbraw/zinc/35/60/11/395356011.db2.gz NORMHLMFZSHGKM-NEPJUHHUSA-N 0 3 258.431 2.071 10 0 CEAEHN CC(C)c1ccc([C@@H](C)NCC(=O)N2CCNC2=O)cc1 ZINC000192855966 395394064 /nfs/dbraw/zinc/39/40/64/395394064.db2.gz FMMPUNKBDIQCIO-GFCCVEGCSA-N 0 3 289.379 2.012 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C\c2ccc(O)cc2)C1 ZINC000493866859 395677255 /nfs/dbraw/zinc/67/72/55/395677255.db2.gz CWNPWDNHWXIGRE-YHAOYDPOSA-N 0 3 274.364 2.006 10 0 CEAEHN CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)N(C)C ZINC000199851150 400297376 /nfs/dbraw/zinc/29/73/76/400297376.db2.gz MMWVJMKLVCUTGJ-CQSZACIVSA-N 0 3 293.363 2.032 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1conc1C ZINC000397881908 400559746 /nfs/dbraw/zinc/55/97/46/400559746.db2.gz BDTBQGSMDHYCBM-GJZGRUSLSA-N 0 3 263.385 2.432 10 0 CEAEHN c1cn(C[C@H]2CCCN2Cc2ccc3c(c2)OCCO3)cn1 ZINC000188412342 153055590 /nfs/dbraw/zinc/05/55/90/153055590.db2.gz ZLMAKPPBICKMHW-OAHLLOKOSA-N 0 3 299.374 2.319 10 0 CEAEHN C[C@@H](NCC(=O)NCCC1=CCCCC1)[C@H]1CCCO1 ZINC000193124283 153227151 /nfs/dbraw/zinc/22/71/51/153227151.db2.gz JCVZXNVKHMKTFI-UKRRQHHQSA-N 0 3 280.412 2.150 10 0 CEAEHN O=C(c1ccc2ccccc2n1)N1CCN2CCC[C@H]2C1 ZINC000195313821 153283323 /nfs/dbraw/zinc/28/33/23/153283323.db2.gz ULAQHTSAEJRFPI-AWEZNQCLSA-N 0 3 281.359 2.155 10 0 CEAEHN O=C(CCCc1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000195332849 153286027 /nfs/dbraw/zinc/28/60/27/153286027.db2.gz MHTUZFIRNAXRTJ-MRXNPFEDSA-N 0 3 272.392 2.316 10 0 CEAEHN O=C(CCN1CCC(c2cc[nH]n2)CC1)NC1CCCC1 ZINC000195507051 153291775 /nfs/dbraw/zinc/29/17/75/153291775.db2.gz HMSHSEKBYGXRFG-UHFFFAOYSA-N 0 3 290.411 2.038 10 0 CEAEHN CCOc1ccc(OCCN2CC[C@@H](CCO)C2)cc1 ZINC000227568408 153347234 /nfs/dbraw/zinc/34/72/34/153347234.db2.gz NTXXTGXWPNVUHH-AWEZNQCLSA-N 0 3 279.380 2.168 10 0 CEAEHN COc1c(CNC[C@@H]2CC[C@H](C)C2)c(C)nn1C ZINC000230410263 153395730 /nfs/dbraw/zinc/39/57/30/153395730.db2.gz CVXIPPOJBOSOLU-CMPLNLGQSA-N 0 3 251.374 2.263 10 0 CEAEHN Cc1cc(-c2nc([C@H]3CNCCN3C)no2)ccc1Cl ZINC000263162386 154026924 /nfs/dbraw/zinc/02/69/24/154026924.db2.gz DXPHXKGULBYJAK-GFCCVEGCSA-N 0 3 292.770 2.275 10 0 CEAEHN Cc1cccc(/C=C/c2nc([C@H]3CNCCN3C)no2)c1 ZINC000263211831 154036331 /nfs/dbraw/zinc/03/63/31/154036331.db2.gz KKARKQDVLYKJKI-PSKZRQQASA-N 0 3 284.363 2.125 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000170833164 162374912 /nfs/dbraw/zinc/37/49/12/162374912.db2.gz XHROFSWUHSLWGS-LSDHHAIUSA-N 0 3 279.428 2.445 10 0 CEAEHN Cc1ccccc1CCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171807187 162390282 /nfs/dbraw/zinc/39/02/82/162390282.db2.gz UQRGLOSQZOMUBC-INIZCTEOSA-N 0 3 287.407 2.027 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)CCCC2CCCC2)CCO1 ZINC000173522794 165074421 /nfs/dbraw/zinc/07/44/21/165074421.db2.gz VXZLYNWAXKVSTN-HNNXBMFYSA-N 0 3 282.428 2.136 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1sc(C)nc1C ZINC000176986042 165182483 /nfs/dbraw/zinc/18/24/83/165182483.db2.gz AVCDGHKNCHVMSU-LBPRGKRZSA-N 0 3 281.425 2.316 10 0 CEAEHN CCCC(O)(CCC)CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000178800476 165260779 /nfs/dbraw/zinc/26/07/79/165260779.db2.gz QMXORISPQKTKOD-CQSZACIVSA-N 0 3 282.428 2.014 10 0 CEAEHN O=C(NCC1(C2CC2)CCC1)N1CCN2CCC[C@H]2C1 ZINC000179100585 165266034 /nfs/dbraw/zinc/26/60/34/165266034.db2.gz OLGVRHLGWDEEBE-AWEZNQCLSA-N 0 3 277.412 2.056 10 0 CEAEHN O=C(c1cnc2ccc(F)cc2c1)N1CCN2CCC[C@@H]2C1 ZINC000179342333 165275450 /nfs/dbraw/zinc/27/54/50/165275450.db2.gz TXVIAYQECUXVDK-OAHLLOKOSA-N 0 3 299.349 2.294 10 0 CEAEHN C[C@H](C(=O)Nc1ccccc1C(C)(C)C)N1CCNCC1 ZINC000019977373 170957417 /nfs/dbraw/zinc/95/74/17/170957417.db2.gz UDNLPGXJJNVAQB-CYBMUJFWSA-N 0 3 289.423 2.216 10 0 CEAEHN CCCN(CCC)S(=O)(=O)c1cc(CN)ccc1F ZINC000020188928 171054369 /nfs/dbraw/zinc/05/43/69/171054369.db2.gz YSMOWOORMKDYDE-UHFFFAOYSA-N 0 3 288.388 2.095 10 0 CEAEHN CCN(CC)[C@@H](CN[C@H](C)C(=O)N(C)C)c1ccccc1 ZINC000020310093 171143969 /nfs/dbraw/zinc/14/39/69/171143969.db2.gz MIOGQSKCSIKGEG-ZBFHGGJFSA-N 0 3 291.439 2.136 10 0 CEAEHN C[C@@H](C(=O)Nc1cccc(N)c1)N1CCC[C@H](C)C1 ZINC000022151519 171358465 /nfs/dbraw/zinc/35/84/65/171358465.db2.gz WUSAXKUDKVMALV-RYUDHWBXSA-N 0 3 261.369 2.328 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCCC2)cc1OC(F)F ZINC000022173039 171368762 /nfs/dbraw/zinc/36/87/62/171368762.db2.gz SLHISBQKWOODTN-LLVKDONJSA-N 0 3 286.322 2.392 10 0 CEAEHN COc1cccc([C@H](CN)N(C)C(C)C)c1OC ZINC000022220026 171377075 /nfs/dbraw/zinc/37/70/75/171377075.db2.gz YYQBEHJHNQVACE-LBPRGKRZSA-N 0 3 252.358 2.044 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(CN)c1 ZINC000022219733 171377479 /nfs/dbraw/zinc/37/74/79/171377479.db2.gz MDKFJIDDDJBYJN-RISCZKNCSA-N 0 3 282.409 2.002 10 0 CEAEHN CC(C)CNC(=O)CN[C@@H]1CCCc2ccccc21 ZINC000035179182 172032636 /nfs/dbraw/zinc/03/26/36/172032636.db2.gz OTHIMNVVCWPJJM-OAHLLOKOSA-N 0 3 260.381 2.426 10 0 CEAEHN COc1ccc(CCNC2=N[C@H](C)CS2)cc1OC ZINC000035294372 172106061 /nfs/dbraw/zinc/10/60/61/172106061.db2.gz DVPJKNZUQNAWJU-SNVBAGLBSA-N 0 3 280.393 2.327 10 0 CEAEHN CN[C@H](C)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000035633515 172317020 /nfs/dbraw/zinc/31/70/20/172317020.db2.gz UOVLFAKVTQDGAX-GFCCVEGCSA-N 0 3 282.409 2.142 10 0 CEAEHN CC(C)c1ccc2c(c1)[C@H](N)C[C@@H](C)S2(=O)=O ZINC000035752300 172397131 /nfs/dbraw/zinc/39/71/31/172397131.db2.gz AGKVPIWLHNKXSZ-BXKDBHETSA-N 0 3 253.367 2.376 10 0 CEAEHN CC(C)N[C@@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761524 172399358 /nfs/dbraw/zinc/39/93/58/172399358.db2.gz CFQUGIXWWPUMPE-GFCCVEGCSA-N 0 3 271.357 2.432 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NCc1cccc2c1OCO2 ZINC000037166628 173000548 /nfs/dbraw/zinc/00/05/48/173000548.db2.gz PKWLFUZLMWMAKF-AWEZNQCLSA-N 0 3 278.396 2.481 10 0 CEAEHN CN([C@@H](CN)c1ccccc1F)[C@H]1CCSC1 ZINC000037174656 173009532 /nfs/dbraw/zinc/00/95/32/173009532.db2.gz PPNRMZIFUNCARH-GWCFXTLKSA-N 0 3 254.374 2.263 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc3cc(F)ccc3s2)C1 ZINC000037205132 173027380 /nfs/dbraw/zinc/02/73/80/173027380.db2.gz PWPGGJIZUWAGER-WCBMZHEXSA-N 0 3 252.314 2.485 10 0 CEAEHN CC(=O)NCCN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000037235774 173054308 /nfs/dbraw/zinc/05/43/08/173054308.db2.gz BOXGXDFUWWDIIF-CQSZACIVSA-N 0 3 250.317 2.003 10 0 CEAEHN C[C@H](CO)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000037258738 173069320 /nfs/dbraw/zinc/06/93/20/173069320.db2.gz NFLRNKHZPHHOET-LDYMZIIASA-N 0 3 286.169 2.243 10 0 CEAEHN NC(=O)CCN[C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037262113 173071756 /nfs/dbraw/zinc/07/17/56/173071756.db2.gz KPNWCYFFVUQZHH-JTQLQIEISA-N 0 3 289.162 2.282 10 0 CEAEHN Cc1cccc([C@@H](C)NC2CCS(=O)(=O)CC2)c1 ZINC000037269915 173080953 /nfs/dbraw/zinc/08/09/53/173080953.db2.gz HAQUIMQNIMLKCY-GFCCVEGCSA-N 0 3 267.394 2.223 10 0 CEAEHN COc1ccc2c(c1)[C@H](NC[C@@H](C)N(C)C)CCO2 ZINC000038087430 174099877 /nfs/dbraw/zinc/09/98/77/174099877.db2.gz FZHITJRFCFOYQA-BXUZGUMPSA-N 0 3 264.369 2.059 10 0 CEAEHN C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCCN1 ZINC000038100813 174115547 /nfs/dbraw/zinc/11/55/47/174115547.db2.gz SANQQWAREVLCPH-PWSUYJOCSA-N 0 3 264.394 2.336 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1F ZINC000040490589 174291768 /nfs/dbraw/zinc/29/17/68/174291768.db2.gz IWXAHJQIUDEGFK-BREBYQMCSA-N 0 3 252.333 2.376 10 0 CEAEHN COC(=O)C[C@@H](C)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491082 174292349 /nfs/dbraw/zinc/29/23/49/174292349.db2.gz LHQOARUMXRQGBM-MNOVXSKESA-N 0 3 281.352 2.306 10 0 CEAEHN COc1ccc([C@@H](C)NC[C@H](O)COC(C)C)cc1OC ZINC000040491058 174292542 /nfs/dbraw/zinc/29/25/42/174292542.db2.gz VSOOHOQFUFXNGM-OCCSQVGLSA-N 0 3 297.395 2.140 10 0 CEAEHN CSCC[C@H](N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519081 174308508 /nfs/dbraw/zinc/30/85/08/174308508.db2.gz BXUIYHXJSVSLRZ-WPRPVWTQSA-N 0 3 287.454 2.018 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000040632875 174359141 /nfs/dbraw/zinc/35/91/41/174359141.db2.gz DXJUXCSBFUSUCR-FZMZJTMJSA-N 0 3 276.380 2.300 10 0 CEAEHN CCOC1CCN(C[C@H]2Cc3ccccc3CN2)CC1 ZINC000040690150 174377045 /nfs/dbraw/zinc/37/70/45/174377045.db2.gz CQJHTXSRZOMUHU-MRXNPFEDSA-N 0 3 274.408 2.202 10 0 CEAEHN Cc1nn(C)c(Oc2cccc(N(C)C)c2)c1CN ZINC000040714936 174382524 /nfs/dbraw/zinc/38/25/24/174382524.db2.gz GBBWVZFGYLLVRE-UHFFFAOYSA-N 0 3 260.341 2.046 10 0 CEAEHN CNCc1c(C)nn(C)c1Oc1cccc(N(C)C)c1 ZINC000040714917 174382540 /nfs/dbraw/zinc/38/25/40/174382540.db2.gz AGAIARTZRRMIBC-UHFFFAOYSA-N 0 3 274.368 2.306 10 0 CEAEHN C[C@@H]1CC(=O)N(C[C@H](N)c2ccc3ccccc3c2)C1=O ZINC000040739837 174390713 /nfs/dbraw/zinc/39/07/13/174390713.db2.gz LFJNKXOXRBMDIB-ABAIWWIYSA-N 0 3 282.343 2.235 10 0 CEAEHN Cc1cccc(N)c1C(=O)NCCN1CCCCCC1 ZINC000040766879 174398368 /nfs/dbraw/zinc/39/83/68/174398368.db2.gz VRMSVHALMFFBDE-UHFFFAOYSA-N 0 3 275.396 2.183 10 0 CEAEHN Cc1sc(C(=O)NCCN2CCC(C)CC2)cc1N ZINC000040770941 174399934 /nfs/dbraw/zinc/39/99/34/174399934.db2.gz MSKBSEVSGMVJAL-UHFFFAOYSA-N 0 3 281.425 2.100 10 0 CEAEHN CCNCc1ccc(OC)cc1OCC(=O)N(C)C(C)C ZINC000040903694 174430208 /nfs/dbraw/zinc/43/02/08/174430208.db2.gz CVULCJZSMIXCEN-UHFFFAOYSA-N 0 3 294.395 2.050 10 0 CEAEHN CCCCOC[C@H](O)CN1C[C@@H](CC)OC[C@@H]1CC ZINC000403727655 414767236 /nfs/dbraw/zinc/76/72/36/414767236.db2.gz ACFVZHCZQPVMKA-RRFJBIMHSA-N 0 3 273.417 2.053 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@@H](OC(C)C)C1 ZINC000404519641 414786964 /nfs/dbraw/zinc/78/69/64/414786964.db2.gz HQXAYMRJCPRSQH-LSDHHAIUSA-N 0 3 273.417 2.053 10 0 CEAEHN CN(C(=O)CSc1ccccc1)[C@H](CN)C(F)(F)F ZINC000662975609 414815717 /nfs/dbraw/zinc/81/57/17/414815717.db2.gz JFQYMWCZNXQLNX-SNVBAGLBSA-N 0 3 292.326 2.127 10 0 CEAEHN Cc1cc(OC(C)C)ccc1NC(=O)C1(N)CCOCC1 ZINC000132152434 414821078 /nfs/dbraw/zinc/82/10/78/414821078.db2.gz HVCKKCPGILSBSR-UHFFFAOYSA-N 0 3 292.379 2.229 10 0 CEAEHN CNc1ccccc1C(=O)Nc1cnccc1N(C)C ZINC000042033309 174633711 /nfs/dbraw/zinc/63/37/11/174633711.db2.gz VJWBXRDOAUGCGM-UHFFFAOYSA-N 0 3 270.336 2.442 10 0 CEAEHN CC(C)(C)n1cc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)cn1 ZINC000660805489 414981689 /nfs/dbraw/zinc/98/16/89/414981689.db2.gz CSJKOLHSRQWDOX-KKUMJFAQSA-N 0 3 277.412 2.231 10 0 CEAEHN CCN[C@@H](c1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300951 175001378 /nfs/dbraw/zinc/00/13/78/175001378.db2.gz ZCDYQZDCYKUOOQ-GJZGRUSLSA-N 0 3 281.421 2.334 10 0 CEAEHN COc1ccc([O-])c(C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000043327677 175009254 /nfs/dbraw/zinc/00/92/54/175009254.db2.gz PSWTZCPBVVFMDE-UHFFFAOYSA-N 0 3 272.304 2.112 10 0 CEAEHN CN(Cc1ccc(F)cc1)[C@H](CN)c1ccncc1 ZINC000043353576 175020797 /nfs/dbraw/zinc/02/07/97/175020797.db2.gz SSFCHCOZCWXGQG-OAHLLOKOSA-N 0 3 259.328 2.353 10 0 CEAEHN Cc1ccc([C@@H]([C@@H](C)N)N(C)[C@@H]2CCSC2)o1 ZINC000043364090 175025028 /nfs/dbraw/zinc/02/50/28/175025028.db2.gz QTPMFVAMHOSKCS-NQBHXWOUSA-N 0 3 254.399 2.414 10 0 CEAEHN CCN[C@@H](c1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043393203 175034685 /nfs/dbraw/zinc/03/46/85/175034685.db2.gz ZJCACTFUSXQYBG-DZGCQCFKSA-N 0 3 281.421 2.389 10 0 CEAEHN CCCN[C@@H](CN(C)C)c1cc(OC)ccc1OC ZINC000043816236 175112230 /nfs/dbraw/zinc/11/22/30/175112230.db2.gz HDSHHECZTUMJKQ-AWEZNQCLSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@H](CN(C)C1CC1)c1ccc2c(c1)OCO2 ZINC000043823151 175114566 /nfs/dbraw/zinc/11/45/66/175114566.db2.gz FIFZHTHOYVQSDT-CYBMUJFWSA-N 0 3 262.353 2.160 10 0 CEAEHN CCN[C@@H](CN(C)C1CC1)c1ccc2c(c1)OCO2 ZINC000043823148 175114590 /nfs/dbraw/zinc/11/45/90/175114590.db2.gz FIFZHTHOYVQSDT-ZDUSSCGKSA-N 0 3 262.353 2.160 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043913927 175124110 /nfs/dbraw/zinc/12/41/10/175124110.db2.gz FLZNXYOVGBGSLH-CXUGXGMPSA-N 0 3 290.407 2.207 10 0 CEAEHN CCCN[C@@H](CN(C)CCOC)c1ccccc1OC ZINC000043916257 175125119 /nfs/dbraw/zinc/12/51/19/175125119.db2.gz BODIBADWQVATGZ-HNNXBMFYSA-N 0 3 280.412 2.314 10 0 CEAEHN Cc1cc(N)ccc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000044749070 175244265 /nfs/dbraw/zinc/24/42/65/175244265.db2.gz MYDUDORIKWSCOU-CYBMUJFWSA-N 0 3 275.396 2.181 10 0 CEAEHN O=S(=O)(Nc1ccc2ccccc2c1)[C@@H]1CCCNC1 ZINC000044881422 175270056 /nfs/dbraw/zinc/27/00/56/175270056.db2.gz BITPYZUGEHIGRE-OAHLLOKOSA-N 0 3 290.388 2.334 10 0 CEAEHN CC1(NC(=O)[C@@H](N)Cc2ccccc2)CCCCC1 ZINC000045046942 175296277 /nfs/dbraw/zinc/29/62/77/175296277.db2.gz JSSHBNBWWBWMPX-AWEZNQCLSA-N 0 3 260.381 2.395 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NC[C@H]1CCCCN1C ZINC000045172751 175322515 /nfs/dbraw/zinc/32/25/15/175322515.db2.gz KQFJCLOTJVPMQS-SMDDNHRTSA-N 0 3 264.417 2.172 10 0 CEAEHN CCN(CC[C@](C)(N)C(N)=O)c1cccc2ccccc21 ZINC000045222931 175330698 /nfs/dbraw/zinc/33/06/98/175330698.db2.gz YDWNWMPCFVBFCV-KRWDZBQOSA-N 0 3 285.391 2.259 10 0 CEAEHN CCCCN(C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045221908 175330991 /nfs/dbraw/zinc/33/09/91/175330991.db2.gz OKZFCZADVVIGNS-INIZCTEOSA-N 0 3 278.396 2.006 10 0 CEAEHN CCCCN(CC)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045223315 175331155 /nfs/dbraw/zinc/33/11/55/175331155.db2.gz SMOSCLKGJNCBGA-HNNXBMFYSA-N 0 3 272.433 2.428 10 0 CEAEHN CCOC(=O)[C@@](N)(CN1CCC(C)CC1)c1ccccc1 ZINC000045225316 175332724 /nfs/dbraw/zinc/33/27/24/175332724.db2.gz OCUXNJVEVOTIOT-QGZVFWFLSA-N 0 3 290.407 2.136 10 0 CEAEHN CCCN[C@@](C)(CN1CCCCCC1)C(=O)OCC ZINC000045228783 175334354 /nfs/dbraw/zinc/33/43/54/175334354.db2.gz PSLDQFNKKACPPT-HNNXBMFYSA-N 0 3 270.417 2.184 10 0 CEAEHN CCN[C@@](C)(CN1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231774 175335418 /nfs/dbraw/zinc/33/54/18/175335418.db2.gz NZKOQDJDOUUKAB-GUTXKFCHSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](CC)CC(C)C)C(=O)[O-] ZINC000045264168 175337638 /nfs/dbraw/zinc/33/76/38/175337638.db2.gz SLNDDGCSYFQOQN-CQSZACIVSA-N 0 3 258.406 2.197 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](CC)CC(C)C)C(=O)[O-] ZINC000045264168 175337639 /nfs/dbraw/zinc/33/76/39/175337639.db2.gz SLNDDGCSYFQOQN-CQSZACIVSA-N 0 3 258.406 2.197 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(CC)CC(C)C)C(=O)[O-] ZINC000045264168 175337640 /nfs/dbraw/zinc/33/76/40/175337640.db2.gz SLNDDGCSYFQOQN-CQSZACIVSA-N 0 3 258.406 2.197 10 0 CEAEHN CCN[C@](CN(CC)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045265405 175338144 /nfs/dbraw/zinc/33/81/44/175338144.db2.gz ADSWEMYIROSSIW-KRWDZBQOSA-N 0 3 292.423 2.395 10 0 CEAEHN CCC[N@H+](CC[C@](C)(NC1CC1)C(=O)[O-])CC1CC1 ZINC000045276880 175346367 /nfs/dbraw/zinc/34/63/67/175346367.db2.gz QHWDRBSZYQXWIT-HNNXBMFYSA-N 0 3 268.401 2.094 10 0 CEAEHN CCC[N@@H+](CC[C@](C)(NC1CC1)C(=O)[O-])CC1CC1 ZINC000045276880 175346368 /nfs/dbraw/zinc/34/63/68/175346368.db2.gz QHWDRBSZYQXWIT-HNNXBMFYSA-N 0 3 268.401 2.094 10 0 CEAEHN CCCCN(C[C@](N)(C(=O)OC)c1ccccc1)C1CC1 ZINC000045276171 175346637 /nfs/dbraw/zinc/34/66/37/175346637.db2.gz MLHHSWXGWUHVHO-QGZVFWFLSA-N 0 3 290.407 2.278 10 0 CEAEHN CN[C@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277389 175347699 /nfs/dbraw/zinc/34/76/99/175347699.db2.gz BSPOIKVXWQYPHX-UKRRQHHQSA-N 0 3 268.401 2.094 10 0 CEAEHN CN[C@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277389 175347700 /nfs/dbraw/zinc/34/77/00/175347700.db2.gz BSPOIKVXWQYPHX-UKRRQHHQSA-N 0 3 268.401 2.094 10 0 CEAEHN CCN[C@](C)(CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280733 175350691 /nfs/dbraw/zinc/35/06/91/175350691.db2.gz AOKQPYBNDXTDKG-CQSZACIVSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280733 175350693 /nfs/dbraw/zinc/35/06/93/175350693.db2.gz AOKQPYBNDXTDKG-CQSZACIVSA-N 0 3 258.406 2.196 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)CCC(C)C)C(=O)[O-] ZINC000045281263 175351612 /nfs/dbraw/zinc/35/16/12/175351612.db2.gz ORPUNFGTDGYPAH-AWEZNQCLSA-N 0 3 258.406 2.197 10 0 CEAEHN C[C@@]([NH3+])(CCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000045378655 175367797 /nfs/dbraw/zinc/36/77/97/175367797.db2.gz UAXIBWXXZNYXHU-MRXNPFEDSA-N 0 3 276.380 2.017 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)[C@@H]1CCc2ccccc2N1 ZINC000049186138 175467659 /nfs/dbraw/zinc/46/76/59/175467659.db2.gz KUDDUJHVCOXKGL-BBRMVZONSA-N 0 3 287.407 2.014 10 0 CEAEHN COc1cccc(C[C@H](N)c2c(C)ccnc2N)c1 ZINC000070402982 175911807 /nfs/dbraw/zinc/91/18/07/175911807.db2.gz OQHQRVUSOGGDNB-ZDUSSCGKSA-N 0 3 257.337 2.223 10 0 CEAEHN Nc1ncccc1C[C@H](N)c1nccc2ccccc21 ZINC000070407630 175913697 /nfs/dbraw/zinc/91/36/97/175913697.db2.gz YFAROCLNEJWQRF-AWEZNQCLSA-N 0 3 264.332 2.455 10 0 CEAEHN CCCNCc1csc(N2CCSCC2)n1 ZINC000070681819 176001493 /nfs/dbraw/zinc/00/14/93/176001493.db2.gz GEONXPKPZCAKIQ-UHFFFAOYSA-N 0 3 257.428 2.196 10 0 CEAEHN CNCc1ccnn1Cc1ccc(Br)cc1 ZINC000070708843 176002723 /nfs/dbraw/zinc/00/27/23/176002723.db2.gz SATQBTFONHTMFU-UHFFFAOYSA-N 0 3 280.169 2.413 10 0 CEAEHN C[C@@H](Cc1ccsc1)N1CCC[C@H](NC2CC2)C1=O ZINC000071035433 176025656 /nfs/dbraw/zinc/02/56/56/176025656.db2.gz GGARVPJNALLYHV-FZMZJTMJSA-N 0 3 278.421 2.422 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2cc(F)ccc2F)C1=O ZINC000071037867 176026387 /nfs/dbraw/zinc/02/63/87/176026387.db2.gz MHGVAQCIFWUCHD-LLVKDONJSA-N 0 3 254.280 2.068 10 0 CEAEHN CC(C)N[C@H]1CCN(c2ccc(OC(F)F)cc2)C1=O ZINC000071039448 176027387 /nfs/dbraw/zinc/02/73/87/176027387.db2.gz MSSSVVANTGGRGR-LBPRGKRZSA-N 0 3 284.306 2.391 10 0 CEAEHN C[C@H](c1cccs1)N1CC[C@@H](NC2CC2)C1=O ZINC000071040251 176027597 /nfs/dbraw/zinc/02/75/97/176027597.db2.gz RFGQZENECPMQTD-MWLCHTKSSA-N 0 3 250.367 2.162 10 0 CEAEHN CC[C@@H](c1ccccc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071041853 176028130 /nfs/dbraw/zinc/02/81/30/176028130.db2.gz UOXXCWHLXRNHBV-CABCVRRESA-N 0 3 258.365 2.491 10 0 CEAEHN CCN[C@@H]1CCCN(c2ccc(F)c(C)c2)C1=O ZINC000071042695 176028716 /nfs/dbraw/zinc/02/87/16/176028716.db2.gz PZPLQFTVTWCOOZ-CYBMUJFWSA-N 0 3 250.317 2.239 10 0 CEAEHN CC(C)N(CCCO)C[C@H]1OCCc2ccccc21 ZINC000071098215 176032426 /nfs/dbraw/zinc/03/24/26/176032426.db2.gz XSNKSWVPNLIJBG-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(C)C)CCC[C@H](CC)C1 ZINC000071126005 176035906 /nfs/dbraw/zinc/03/59/06/176035906.db2.gz WSGUIIVJCYAPIS-DZGCQCFKSA-N 0 3 270.417 2.040 10 0 CEAEHN CC[C@@H]1CCCC[C@]1(NCCN(CC)CC)C(=O)OC ZINC000071162666 176046495 /nfs/dbraw/zinc/04/64/95/176046495.db2.gz VFMXSHKDRAPFBF-GDBMZVCRSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@H]1CCN(C)C1=O ZINC000071183190 176058639 /nfs/dbraw/zinc/05/86/39/176058639.db2.gz FVPJFWCASNUUIZ-GWCFXTLKSA-N 0 3 280.343 2.106 10 0 CEAEHN CC(C)[C@@H](N[C@@H]1CCN(C)C1=O)c1cccs1 ZINC000071183737 176059037 /nfs/dbraw/zinc/05/90/37/176059037.db2.gz CRPKEVKFGQPBCD-ZYHUDNBSSA-N 0 3 252.383 2.266 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)C(=O)c1cc2cc(N)ccc2o1 ZINC000071187716 176062290 /nfs/dbraw/zinc/06/22/90/176062290.db2.gz OUGLOTOHQJVMNV-NSHDSACASA-N 0 3 287.363 2.039 10 0 CEAEHN CCOC(=O)c1ncsc1NC[C@H]1CCN(CC)C1 ZINC000071201876 176078281 /nfs/dbraw/zinc/07/82/81/176078281.db2.gz PPJSKFNSOJTTJI-SNVBAGLBSA-N 0 3 283.397 2.074 10 0 CEAEHN C[C@@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1F ZINC000071207296 176080974 /nfs/dbraw/zinc/08/09/74/176080974.db2.gz YFUSXMJCEMMTCM-RNCFNFMXSA-N 0 3 250.317 2.203 10 0 CEAEHN Cc1ncsc1CNC[C@H]1CNc2ccccc2O1 ZINC000071213743 176085252 /nfs/dbraw/zinc/08/52/52/176085252.db2.gz MCBRIKNANDDFHZ-NSHDSACASA-N 0 3 275.377 2.414 10 0 CEAEHN CN[C@H](C)c1cccc(N2C(=O)c3ccncc3C2=O)c1 ZINC000071336821 176128230 /nfs/dbraw/zinc/12/82/30/176128230.db2.gz YYPPGDYYQYLWQM-SNVBAGLBSA-N 0 3 281.315 2.163 10 0 CEAEHN C[C@H]1CCC[C@@](CO)(NCc2cnn3ccccc23)C1 ZINC000071373516 176139031 /nfs/dbraw/zinc/13/90/31/176139031.db2.gz RHXKPJJDJTUWNT-XJKSGUPXSA-N 0 3 273.380 2.365 10 0 CEAEHN CC[C@H]1CCC[C@H](N2CCN(CC(C)(C)O)CC2)C1 ZINC000071382255 176145792 /nfs/dbraw/zinc/14/57/92/176145792.db2.gz YFLMLAQMBIOVSL-GJZGRUSLSA-N 0 3 268.445 2.344 10 0 CEAEHN CNCc1cc(C)ccc1OCC(=O)OC(C)C ZINC000071403466 176154769 /nfs/dbraw/zinc/15/47/69/176154769.db2.gz TYHDOEWQIZPDAH-UHFFFAOYSA-N 0 3 251.326 2.045 10 0 CEAEHN CNCc1cc(C)ccc1O[C@H](C)C(=O)NCC(C)C ZINC000071403654 176155006 /nfs/dbraw/zinc/15/50/06/176155006.db2.gz IJYBKWMTTIVHDF-CYBMUJFWSA-N 0 3 278.396 2.254 10 0 CEAEHN COCCNCc1cc(C)ccc1O[C@@H]1CCC[C@@H]1O ZINC000071407497 176156183 /nfs/dbraw/zinc/15/61/83/176156183.db2.gz XQYAUSFPWRJWJV-GOEBONIOSA-N 0 3 279.380 2.023 10 0 CEAEHN Cc1ccc(OCCS(C)(=O)=O)c(CNC(C)(C)C)c1 ZINC000071407081 176156216 /nfs/dbraw/zinc/15/62/16/176156216.db2.gz IEPCNBODKPEUGP-UHFFFAOYSA-N 0 3 299.436 2.307 10 0 CEAEHN Cc1ccc(OCCS(C)(=O)=O)c(CNCC(C)C)c1 ZINC000071407254 176156524 /nfs/dbraw/zinc/15/65/24/176156524.db2.gz LMJDVJLOQANJKR-UHFFFAOYSA-N 0 3 299.436 2.164 10 0 CEAEHN CN1CCC(n2cc(C(F)(F)F)ccc2=O)CC1 ZINC000071516695 176193728 /nfs/dbraw/zinc/19/37/28/176193728.db2.gz JNDAJIDEEZOYPM-UHFFFAOYSA-N 0 3 260.259 2.134 10 0 CEAEHN CC[C@@H](NC)C(=O)c1ccc(OC)c(C)c1OC ZINC000071573212 176199729 /nfs/dbraw/zinc/19/97/29/176199729.db2.gz HTOWEXRTXXUGDB-LLVKDONJSA-N 0 3 251.326 2.193 10 0 CEAEHN CN[C@@H](C(=O)c1cc(OC)c(C)cc1OC)C(C)C ZINC000071597811 176221319 /nfs/dbraw/zinc/22/13/19/176221319.db2.gz YTSKYFXHPRVTHV-CQSZACIVSA-N 0 3 265.353 2.439 10 0 CEAEHN Cc1cnc([C@H](C)NC(=O)c2cccc3c2CNC3)o1 ZINC000662514622 415871770 /nfs/dbraw/zinc/87/17/70/415871770.db2.gz PWXIHUMNYCBMTC-JTQLQIEISA-N 0 3 271.320 2.077 10 0 CEAEHN CCOc1ccc([C@H](C)NC(=O)CNC)cc1Cl ZINC000076408858 177019876 /nfs/dbraw/zinc/01/98/76/177019876.db2.gz HPJSSVWVOUAROA-VIFPVBQESA-N 0 3 270.760 2.135 10 0 CEAEHN Cc1nc2sccn2c1CNC[C@@H]1CCCC[C@H]1O ZINC000077204583 177233058 /nfs/dbraw/zinc/23/30/58/177233058.db2.gz CFMCRQSJWFRQSE-WCQYABFASA-N 0 3 279.409 2.345 10 0 CEAEHN CCN[C@@](C)(CN1CCC[C@@H](CC)CC1)C(=O)OC ZINC000079365987 177472657 /nfs/dbraw/zinc/47/26/57/177472657.db2.gz RYNILGQITYPIJZ-HIFRSBDPSA-N 0 3 270.417 2.040 10 0 CEAEHN O=C(OCc1ccccc1)N1CC[C@]12CCCCN2 ZINC000091690570 260163576 /nfs/dbraw/zinc/16/35/76/260163576.db2.gz ADVRPMHYMUXPSQ-HNNXBMFYSA-N 0 3 260.337 2.499 10 0 CEAEHN C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CCCO1 ZINC000044276750 270229270 /nfs/dbraw/zinc/22/92/70/270229270.db2.gz DLWZADLYDXLQFZ-DOMZBBRYSA-N 0 3 291.395 2.437 10 0 CEAEHN Cc1ncc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)s1 ZINC000398715854 270361199 /nfs/dbraw/zinc/36/11/99/270361199.db2.gz QIRWNWYDCBCVKK-SDDRHHMPSA-N 0 3 252.383 2.044 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2SCCc3sccc32)C1 ZINC000173045972 273808337 /nfs/dbraw/zinc/80/83/37/273808337.db2.gz GLCXIAKSAQKRJR-MFKMUULPSA-N 0 3 296.461 2.241 10 0 CEAEHN COC(=O)[C@@H](C)CN1CCc2sccc2[C@H]1C ZINC000251244963 277075063 /nfs/dbraw/zinc/07/50/63/277075063.db2.gz UGIGEDOCVYIGPA-VHSXEESVSA-N 0 3 253.367 2.476 10 0 CEAEHN CC(C)Cc1ncc(CN2CCO[C@H](CN(C)C)C2)s1 ZINC000156650881 277513430 /nfs/dbraw/zinc/51/34/30/277513430.db2.gz QWAOCPZHUOBTBO-CYBMUJFWSA-N 0 3 297.468 2.104 10 0 CEAEHN C[C@H](O)CN1CCN(C[C@@H](C)Cc2ccccc2)C[C@H]1C ZINC000248618620 278294696 /nfs/dbraw/zinc/29/46/96/278294696.db2.gz ZQMCRYPJURWHSG-BBWFWOEESA-N 0 3 290.451 2.252 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1cc(F)c(F)c(F)c1 ZINC000180602258 278376227 /nfs/dbraw/zinc/37/62/27/278376227.db2.gz RHAXNYXPDKAFLJ-PSASIEDQSA-N 0 3 296.296 2.361 10 0 CEAEHN CCC[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180493532 278871941 /nfs/dbraw/zinc/87/19/41/278871941.db2.gz HSWHNWIHURVNFZ-IAGOWNOFSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN(C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000335336742 279021080 /nfs/dbraw/zinc/02/10/80/279021080.db2.gz NKLUMOZNUGQGRD-UHFFFAOYSA-N 0 3 253.390 2.008 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000263494096 279059670 /nfs/dbraw/zinc/05/96/70/279059670.db2.gz JGAYBKDRZDNQFL-SFHDSZBYSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000263494096 279059671 /nfs/dbraw/zinc/05/96/71/279059671.db2.gz JGAYBKDRZDNQFL-SFHDSZBYSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000263494096 279059672 /nfs/dbraw/zinc/05/96/72/279059672.db2.gz JGAYBKDRZDNQFL-SFHDSZBYSA-N 0 3 282.428 2.338 10 0 CEAEHN Fc1ccc(N[C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261873125 279463403 /nfs/dbraw/zinc/46/34/03/279463403.db2.gz DIBQVSNTSDHQTL-KFWWJZLASA-N 0 3 264.344 2.395 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccccc1O)c1ccccc1 ZINC000123491065 279792835 /nfs/dbraw/zinc/79/28/35/279792835.db2.gz DMNCRQZRCYYEEH-OAHLLOKOSA-N 0 3 284.359 2.425 10 0 CEAEHN O=C(N1CCN2CCC[C@H]2C1)C1(c2ccc(F)cc2)CC1 ZINC000195328547 280202022 /nfs/dbraw/zinc/20/20/22/280202022.db2.gz VWSQJVSJKGAFEQ-HNNXBMFYSA-N 0 3 288.366 2.164 10 0 CEAEHN CC[C@@H](O)CN1CCN(CC2CCCCCC2)CC1 ZINC000123475416 280207070 /nfs/dbraw/zinc/20/70/70/280207070.db2.gz GNWXQGXFOXSENK-MRXNPFEDSA-N 0 3 268.445 2.345 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000125692531 280219856 /nfs/dbraw/zinc/21/98/56/280219856.db2.gz NOUYUICWSDCZJY-STQMWFEESA-N 0 3 255.406 2.205 10 0 CEAEHN Cc1c([C@H](C)N[C@@H]2CCc3ncnn3C2)cnn1C(C)C ZINC000191357334 280256073 /nfs/dbraw/zinc/25/60/73/280256073.db2.gz OCKMHVLCGFJPCH-WCQYABFASA-N 0 3 288.399 2.030 10 0 CEAEHN CCNc1ncc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000245906047 280265578 /nfs/dbraw/zinc/26/55/78/280265578.db2.gz AZDRCYOAOXMLKJ-MNOVXSKESA-N 0 3 296.440 2.033 10 0 CEAEHN CCc1ncsc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246198334 280279562 /nfs/dbraw/zinc/27/95/62/280279562.db2.gz ANZWTFFVAMWBEN-PWSUYJOCSA-N 0 3 281.425 2.164 10 0 CEAEHN Cc1ccc(NC(=O)CN2CCN3CCC[C@H]3C2)cc1C ZINC000246371451 280289781 /nfs/dbraw/zinc/28/97/81/280289781.db2.gz OAMJRXWMDBSBFU-INIZCTEOSA-N 0 3 287.407 2.022 10 0 CEAEHN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@H](c1ccccc1)N(C)C ZINC000248627080 280356074 /nfs/dbraw/zinc/35/60/74/280356074.db2.gz FCCJGCQIOIDPCA-RRCSTGOVSA-N 0 3 290.407 2.362 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)[C@H](C)c1ccco1 ZINC000248654695 280357762 /nfs/dbraw/zinc/35/77/62/280357762.db2.gz PTDAIKUPSJEKFD-OLZOCXBDSA-N 0 3 255.358 2.450 10 0 CEAEHN COc1ccc([C@@H](C)CN2CCCNC(=O)[C@H]2C)cc1 ZINC000249031451 280380259 /nfs/dbraw/zinc/38/02/59/280380259.db2.gz LRXMJRYTUUPZPN-QWHCGFSZSA-N 0 3 276.380 2.009 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)cc1Cl ZINC000282327640 280829527 /nfs/dbraw/zinc/82/95/27/280829527.db2.gz LKPXAGSYYLIFEU-GXFFZTMASA-N 0 3 266.772 2.405 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000180590550 280980503 /nfs/dbraw/zinc/98/05/03/280980503.db2.gz UHSOJRNKMSNVBU-GXTWGEPZSA-N 0 3 256.353 2.252 10 0 CEAEHN Cc1ccc2nccc(N[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000302146502 281171692 /nfs/dbraw/zinc/17/16/92/281171692.db2.gz IEXHKTSTAYSTNM-LLVKDONJSA-N 0 3 276.361 2.142 10 0 CEAEHN CC1(C)Cc2occc2[C@H](N[C@@H]2CCc3ncnn3C2)C1 ZINC000180601100 281377331 /nfs/dbraw/zinc/37/73/31/281377331.db2.gz XHGTZWKCFURLOO-DGCLKSJQSA-N 0 3 286.379 2.489 10 0 CEAEHN CCOCCC1(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCC1 ZINC000124035752 289052149 /nfs/dbraw/zinc/05/21/49/289052149.db2.gz JEZKWPJIVZVUMV-GJZGRUSLSA-N 0 3 296.455 2.428 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1F ZINC000282264548 290001859 /nfs/dbraw/zinc/00/18/59/290001859.db2.gz HHUDACGZTGYMGL-OPQQBVKSSA-N 0 3 250.317 2.143 10 0 CEAEHN C[C@H]1COC[C@H](C)N1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181714570 312795757 /nfs/dbraw/zinc/79/57/57/312795757.db2.gz NVTSJIPVLJLLMZ-KBPBESRZSA-N 0 3 296.455 2.380 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC1=NC(C)(C)CS1 ZINC000049559160 519340888 /nfs/dbraw/zinc/34/08/88/519340888.db2.gz OHRKOZPRFFOGGE-LLVKDONJSA-N 0 3 257.447 2.434 10 0 CEAEHN CC(C)N[C@@H](CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000062459712 519734061 /nfs/dbraw/zinc/73/40/61/519734061.db2.gz MDQMMVLHQLPECV-MCIONIFRSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)N[C@@H](CC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000062459712 519734063 /nfs/dbraw/zinc/73/40/63/519734063.db2.gz MDQMMVLHQLPECV-MCIONIFRSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN(C)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000062459712 519734066 /nfs/dbraw/zinc/73/40/66/519734066.db2.gz MDQMMVLHQLPECV-MCIONIFRSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)CSC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069184218 519769588 /nfs/dbraw/zinc/76/95/88/519769588.db2.gz KAPNFVYRDUFFSQ-ZDUSSCGKSA-N 0 3 258.431 2.008 10 0 CEAEHN CCNCc1cc(CN2C[C@H](C)OC[C@@H]2C)oc1C ZINC000052476383 519990950 /nfs/dbraw/zinc/99/09/50/519990950.db2.gz YEJXHBATCLNCMP-RYUDHWBXSA-N 0 3 266.385 2.307 10 0 CEAEHN CCNCc1oc(CN2CCOCC2(C)C)cc1C ZINC000052546246 520028148 /nfs/dbraw/zinc/02/81/48/520028148.db2.gz JKHHRANQLUWGBB-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCCCCOC[C@@](NCCC)(C(N)=O)C1CC1 ZINC000069195223 520100931 /nfs/dbraw/zinc/10/09/31/520100931.db2.gz CGIKNHNFSIEKRC-HNNXBMFYSA-N 0 3 270.417 2.217 10 0 CEAEHN CCNc1ccc(Cl)c(CN2CCCN(C)CC2)n1 ZINC000061630863 520309817 /nfs/dbraw/zinc/30/98/17/520309817.db2.gz UOIAJVFTMPWYDN-UHFFFAOYSA-N 0 3 282.819 2.304 10 0 CEAEHN CCCc1nc(N2CCN(CCC)CC2)sc1CN ZINC000054968971 521532343 /nfs/dbraw/zinc/53/23/43/521532343.db2.gz XCTQTCRQXLKOBV-UHFFFAOYSA-N 0 3 282.457 2.086 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CC(=O)c1ccc(F)cc1 ZINC000061645649 521835337 /nfs/dbraw/zinc/83/53/37/521835337.db2.gz MRPIVROGUWTTEE-AWEZNQCLSA-N 0 3 264.344 2.034 10 0 CEAEHN CC[C@@H](C)CNS(=O)(=O)c1cccc([C@@H](C)NC)c1 ZINC000054489142 521997076 /nfs/dbraw/zinc/99/70/76/521997076.db2.gz BCDCJVRQPGJHOP-VXGBXAGGSA-N 0 3 284.425 2.291 10 0 CEAEHN CC[C@@H](C)CNS(=O)(=O)c1cccc([C@@H](N)CC)c1 ZINC000054489170 521997326 /nfs/dbraw/zinc/99/73/26/521997326.db2.gz ZBZGZIBJVLHVBZ-RISCZKNCSA-N 0 3 284.425 2.421 10 0 CEAEHN CC[C@@H](C)CNS(=O)(=O)c1cccc([C@H](C)N)c1 ZINC000054489108 521998322 /nfs/dbraw/zinc/99/83/22/521998322.db2.gz WPYRILBYONXRRK-MNOVXSKESA-N 0 3 270.398 2.031 10 0 CEAEHN CCc1nc(N(CC)CC)sc1CNCCOC ZINC000054995253 522380434 /nfs/dbraw/zinc/38/04/34/522380434.db2.gz LRPVEPOVUXJQOD-UHFFFAOYSA-N 0 3 271.430 2.288 10 0 CEAEHN CCc1nc(N2CCN([C@H](C)CC)CC2)sc1CN ZINC000055076537 522388144 /nfs/dbraw/zinc/38/81/44/522388144.db2.gz UAOSBEPOCCAZIX-LLVKDONJSA-N 0 3 282.457 2.085 10 0 CEAEHN CCc1nc(N2CCO[C@@H](C)C2)sc1CNC1CC1 ZINC000054995750 522388421 /nfs/dbraw/zinc/38/84/21/522388421.db2.gz YIOJVOUGMZNYQQ-JTQLQIEISA-N 0 3 281.425 2.183 10 0 CEAEHN CN[C@@](C)(CCSCc1ccccc1C)C(N)=O ZINC000054964834 522412550 /nfs/dbraw/zinc/41/25/50/522412550.db2.gz HNYUAZBMVRHWFU-AWEZNQCLSA-N 0 3 266.410 2.082 10 0 CEAEHN CC(C)(C)c1nc(N2CCN(C3CC3)CC2)sc1CN ZINC000055002230 519104004 /nfs/dbraw/zinc/10/40/04/519104004.db2.gz ULMWQRXSVSYMSN-UHFFFAOYSA-N 0 3 294.468 2.184 10 0 CEAEHN CC(C)CN1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483596 519719990 /nfs/dbraw/zinc/71/99/90/519719990.db2.gz NQQCNGVKXNRHIE-UHFFFAOYSA-N 0 3 258.325 2.187 10 0 CEAEHN CC(C)NCc1c(Cl)cccc1N1CC[C@@H](O)C1 ZINC000061711279 519726323 /nfs/dbraw/zinc/72/63/23/519726323.db2.gz BSHSEIINRHMHBI-LLVKDONJSA-N 0 3 268.788 2.409 10 0 CEAEHN CC(C)NCc1cc(F)ccc1N1CCC[C@H]1CO ZINC000048860860 519726968 /nfs/dbraw/zinc/72/69/68/519726968.db2.gz FNJCPTPWIWAKSU-AWEZNQCLSA-N 0 3 266.360 2.285 10 0 CEAEHN CC(C)NCc1ccoc1CN1CCOC(C)(C)C1 ZINC000052481780 519727960 /nfs/dbraw/zinc/72/79/60/519727960.db2.gz APFPTOUYYAABMA-UHFFFAOYSA-N 0 3 266.385 2.388 10 0 CEAEHN CC(C)N[C@H](CCSc1cccs1)C(N)=O ZINC000062597305 519738376 /nfs/dbraw/zinc/73/83/76/519738376.db2.gz PMAIOCDANCYQQZ-SECBINFHSA-N 0 3 258.412 2.082 10 0 CEAEHN CC(C)c1cccc(OCC[C@H](NC2CC2)C(N)=O)c1 ZINC000062548040 519843117 /nfs/dbraw/zinc/84/31/17/519843117.db2.gz ZNNPPJGLEXYVEV-HNNXBMFYSA-N 0 3 276.380 2.185 10 0 CEAEHN CCC1CCC(NS(=O)(=O)c2ccccc2CN)CC1 ZINC000049120984 519856963 /nfs/dbraw/zinc/85/69/63/519856963.db2.gz VSMKFEASLRDLCE-UHFFFAOYSA-N 0 3 296.436 2.392 10 0 CEAEHN CCCN1CCN(Cc2cc3ccccc3nc2N)CC1 ZINC000050792087 519858729 /nfs/dbraw/zinc/85/87/29/519858729.db2.gz LECYPFGIRAMEMT-UHFFFAOYSA-N 0 3 284.407 2.345 10 0 CEAEHN CCC1CCN(C[C@](NC2CC2)(C(=O)OC)C2CC2)CC1 ZINC000069183783 519859201 /nfs/dbraw/zinc/85/92/01/519859201.db2.gz ZUIMYXOCUYDPRU-QGZVFWFLSA-N 0 3 294.439 2.182 10 0 CEAEHN CCC1CCN(Cc2cccnc2C(N)=S)CC1 ZINC000061659820 519859816 /nfs/dbraw/zinc/85/98/16/519859816.db2.gz XMMLKZYNPNRLQX-UHFFFAOYSA-N 0 3 263.410 2.338 10 0 CEAEHN CCCC1CCN(C[C@@H](NC(C)C)C(=O)OCC)CC1 ZINC000050905890 519901638 /nfs/dbraw/zinc/90/16/38/519901638.db2.gz YJUQORPKKWVKMK-OAHLLOKOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1Cn1cccn1 ZINC000061291491 519907935 /nfs/dbraw/zinc/90/79/35/519907935.db2.gz NXURBWVNVDJPBW-UHFFFAOYSA-N 0 3 286.379 2.258 10 0 CEAEHN CCCNCc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000069803599 519947019 /nfs/dbraw/zinc/94/70/19/519947019.db2.gz QKQFGRWVPKOAQR-UHFFFAOYSA-N 0 3 284.157 2.118 10 0 CEAEHN CCCNCc1nccn1CCOCCC(C)C ZINC000051005045 519967929 /nfs/dbraw/zinc/96/79/29/519967929.db2.gz ZONZBXYSVIMXSR-UHFFFAOYSA-N 0 3 253.390 2.445 10 0 CEAEHN CCNCc1c(N2CCSC[C@@H]2C)nc2sccn12 ZINC000070220680 519984620 /nfs/dbraw/zinc/98/46/20/519984620.db2.gz WGEWYWMWMHKXBN-JTQLQIEISA-N 0 3 296.465 2.447 10 0 CEAEHN CCNCc1ccccc1OCCOCCCOC ZINC000052597651 520011050 /nfs/dbraw/zinc/01/10/50/520011050.db2.gz MQRREZAEXJCWIO-UHFFFAOYSA-N 0 3 267.369 2.228 10 0 CEAEHN CCCN[C@@H](Cn1ncccc1=O)c1ccccc1C ZINC000061402937 520015767 /nfs/dbraw/zinc/01/57/67/520015767.db2.gz YUOSHDKKDJPOTJ-HNNXBMFYSA-N 0 3 271.364 2.293 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1F)[C@H]1COCCO1 ZINC000055300782 520018016 /nfs/dbraw/zinc/01/80/16/520018016.db2.gz GSHLRRCFWMPAFN-CABCVRRESA-N 0 3 283.343 2.290 10 0 CEAEHN CCCN[C@@](C)(CN1CCCC(C)(C)C1)C(=O)OC ZINC000069516718 520038399 /nfs/dbraw/zinc/03/83/99/520038399.db2.gz WPTQCOZNZNHLFX-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@@](CN(CCC)C1CC1)(C(=O)OC)C1CC1 ZINC000069098165 520053687 /nfs/dbraw/zinc/05/36/87/520053687.db2.gz GDEWHELTYLZCOB-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1O[C@@H](C)C(N)=O ZINC000062747397 520066234 /nfs/dbraw/zinc/06/62/34/520066234.db2.gz JHUVMBXDOPDTIT-ZJUUUORDSA-N 0 3 268.332 2.139 10 0 CEAEHN CCCN[C@H](CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000062454398 520072240 /nfs/dbraw/zinc/07/22/40/520072240.db2.gz IHDDRKKCGGXIOR-CQSZACIVSA-N 0 3 272.433 2.443 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCCCC(=O)NC ZINC000068816948 520076875 /nfs/dbraw/zinc/07/68/75/520076875.db2.gz FPQSVROTKLHAME-NSHDSACASA-N 0 3 282.359 2.401 10 0 CEAEHN CCCN[C@H](CCOc1ccccc1C(C)C)C(N)=O ZINC000062550830 520078899 /nfs/dbraw/zinc/07/88/99/520078899.db2.gz KWYOFRGDBISQHP-CQSZACIVSA-N 0 3 278.396 2.432 10 0 CEAEHN CC[NH2+][C@@H](C)c1nc2cc(Br)cnc2[n-]1 ZINC000062366667 520080097 /nfs/dbraw/zinc/08/00/97/520080097.db2.gz MPHBMYWFZPRZHK-LURJTMIESA-N 0 3 269.146 2.391 10 0 CEAEHN CCN[C@@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000062366667 520080104 /nfs/dbraw/zinc/08/01/04/520080104.db2.gz MPHBMYWFZPRZHK-LURJTMIESA-N 0 3 269.146 2.391 10 0 CEAEHN CCCN[C@H](c1ccc(OC)c(F)c1)[C@@H]1COCCO1 ZINC000055300747 520089957 /nfs/dbraw/zinc/08/99/57/520089957.db2.gz TYDVZNGLUDXOHT-LSDHHAIUSA-N 0 3 283.343 2.290 10 0 CEAEHN CCN[C@@H](c1ccc(OC)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299860 520109118 /nfs/dbraw/zinc/10/91/18/520109118.db2.gz LZTFCGIDLGTXPF-KBPBESRZSA-N 0 3 285.771 2.415 10 0 CEAEHN CCCN[C@](CN1CCC(C)(C)CC1)(C(=O)OC)C1CC1 ZINC000069232018 520122437 /nfs/dbraw/zinc/12/24/37/520122437.db2.gz PGOPQLCNBBFEAO-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCN[C@](COc1ccc(CC)cc1)(C(N)=O)C1CC1 ZINC000069197144 520123113 /nfs/dbraw/zinc/12/31/13/520123113.db2.gz CLROSLZKAGMMMU-KRWDZBQOSA-N 0 3 290.407 2.262 10 0 CEAEHN CCN[C@@H]1COc2cc(OCCOCC)ccc21 ZINC000062804569 520124928 /nfs/dbraw/zinc/12/49/28/520124928.db2.gz NOCAWKWUGIIPEX-CYBMUJFWSA-N 0 3 251.326 2.145 10 0 CEAEHN CCCCCC[C@H](C)N[C@@H]1CC(=O)N(CC)C1=O ZINC000049200064 520131198 /nfs/dbraw/zinc/13/11/98/520131198.db2.gz YZOXSCMQDIAMGQ-NWDGAFQWSA-N 0 3 254.374 2.082 10 0 CEAEHN CCCNc1cccc(C(=O)N(C)C2CCN(C)CC2)n1 ZINC000051069552 520173201 /nfs/dbraw/zinc/17/32/01/520173201.db2.gz FQTOGWGBRUOCKA-UHFFFAOYSA-N 0 3 290.411 2.070 10 0 CEAEHN CCN[C@H](C)c1cnc(N(C)C2CCOCC2)s1 ZINC000054904623 520182098 /nfs/dbraw/zinc/18/20/98/520182098.db2.gz ZHVAFJXWGPZWSR-SNVBAGLBSA-N 0 3 269.414 2.429 10 0 CEAEHN CCN[C@H](CCOc1ccc2ccccc2c1)C(N)=O ZINC000062550739 520192502 /nfs/dbraw/zinc/19/25/02/520192502.db2.gz CQPUQPOUHGYSBV-OAHLLOKOSA-N 0 3 272.348 2.072 10 0 CEAEHN CCN[C@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689758 520231260 /nfs/dbraw/zinc/23/12/60/520231260.db2.gz NLVHHBUHGUWFQA-LLVKDONJSA-N 0 3 276.149 2.405 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1Cl)[C@@H]1COCCO1 ZINC000055300803 520207344 /nfs/dbraw/zinc/20/73/44/520207344.db2.gz UYYMWBKTPAVXAR-UONOGXRCSA-N 0 3 285.771 2.415 10 0 CEAEHN CCN[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000051632012 520215579 /nfs/dbraw/zinc/21/55/79/520215579.db2.gz JFMDRXOQBSQKAL-LSDHHAIUSA-N 0 3 258.365 2.274 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Sc1cccc(OC)c1)C(N)=O ZINC000068634260 520238189 /nfs/dbraw/zinc/23/81/89/520238189.db2.gz NFAITBODKLDVJJ-IAQYHMDHSA-N 0 3 296.436 2.419 10 0 CEAEHN CCN[C@](CSCc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069189864 520252611 /nfs/dbraw/zinc/25/26/11/520252611.db2.gz QZQRRSCFUPNJST-INIZCTEOSA-N 0 3 292.448 2.472 10 0 CEAEHN CCNc1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000050779361 520338861 /nfs/dbraw/zinc/33/88/61/520338861.db2.gz NBWREJTYKVDFPC-GFCCVEGCSA-N 0 3 273.380 2.085 10 0 CEAEHN CCNc1ccccc1C(=O)NC[C@H]1CCCCN1C ZINC000050777812 520339872 /nfs/dbraw/zinc/33/98/72/520339872.db2.gz LAQQNQJLIYEQRO-CYBMUJFWSA-N 0 3 275.396 2.333 10 0 CEAEHN CCCOc1cccc(C(=O)N2[C@@H](C)CNC[C@@H]2C)c1 ZINC000069133464 520442175 /nfs/dbraw/zinc/44/21/75/520442175.db2.gz XGRUPQJKWHHSFZ-STQMWFEESA-N 0 3 276.380 2.298 10 0 CEAEHN CCN(CC)C(=O)CN(C)c1cc(Cl)ccc1CN ZINC000062786931 520475162 /nfs/dbraw/zinc/47/51/62/520475162.db2.gz ZIHVQGOKPQENRV-UHFFFAOYSA-N 0 3 283.803 2.103 10 0 CEAEHN CCCCN(Cc1cccnc1C(N)=S)C1CC1 ZINC000061659857 520548805 /nfs/dbraw/zinc/54/88/05/520548805.db2.gz OHTNQYAAUHQVGB-UHFFFAOYSA-N 0 3 263.410 2.480 10 0 CEAEHN CCC[C@@H](C)NC(=O)[C@@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555876 520656557 /nfs/dbraw/zinc/65/65/57/520656557.db2.gz CRLVCNXQMWRECB-KFWWJZLASA-N 0 3 285.476 2.246 10 0 CEAEHN CCCCOC(=O)COc1ccc2c(c1)OC[C@H]2NCC ZINC000062804554 520712880 /nfs/dbraw/zinc/71/28/80/520712880.db2.gz FDLACAUJLIBITF-CQSZACIVSA-N 0 3 293.363 2.452 10 0 CEAEHN CCC[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000049543768 520790572 /nfs/dbraw/zinc/79/05/72/520790572.db2.gz KQAADKAFYCAOJF-GHMZBOCLSA-N 0 3 273.423 2.366 10 0 CEAEHN CCOC(=O)N1CCN(c2ccc3nc(C)[nH]c3c2)CC1 ZINC000062578689 520961329 /nfs/dbraw/zinc/96/13/29/520961329.db2.gz RFQYKTHSXPWDNA-UHFFFAOYSA-N 0 3 288.351 2.150 10 0 CEAEHN CCOc1ccc(Nc2ccnc(N(C)C)n2)cc1CN ZINC000068690283 521138319 /nfs/dbraw/zinc/13/83/19/521138319.db2.gz BJGYZSKYYFYKPN-UHFFFAOYSA-N 0 3 287.367 2.144 10 0 CEAEHN CCOC(=O)[C@](CN1CCCCC1)(NC(C)C)C1CC1 ZINC000069095530 521339502 /nfs/dbraw/zinc/33/95/02/521339502.db2.gz MWTRCSGUVUMTHH-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCOc1ccccc1CCNC(=O)[C@H](N)[C@H](C)CC ZINC000155561262 521472837 /nfs/dbraw/zinc/47/28/37/521472837.db2.gz JAWVXAVCFFKIQT-IUODEOHRSA-N 0 3 278.396 2.117 10 0 CEAEHN CCCN(C)c1ncc(Br)cc1CN ZINC000051396612 521520397 /nfs/dbraw/zinc/52/03/97/521520397.db2.gz TYLJSVDIFNWFIK-UHFFFAOYSA-N 0 3 258.163 2.149 10 0 CEAEHN CCN1C(=O)C[C@H](N)[C@H]1c1c(F)cccc1Cl ZINC000062209195 521524694 /nfs/dbraw/zinc/52/46/94/521524694.db2.gz YUVFMRWUTFWWJY-CABZTGNLSA-N 0 3 256.708 2.100 10 0 CEAEHN CCN1CCC[C@@H](Nc2cc(C)nc(Cl)n2)C1 ZINC000052814625 521624738 /nfs/dbraw/zinc/62/47/38/521624738.db2.gz FECSHVMVJXJJDZ-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN CCN1CCC[C@@H](N2C(=S)N=NC2C2CC2)C1 ZINC000049219379 521627536 /nfs/dbraw/zinc/62/75/36/521627536.db2.gz AOPJDRUOMZRUIP-SNVBAGLBSA-N 0 3 252.387 2.101 10 0 CEAEHN CCCN(CCC)C(=O)c1cccc(NC(=O)CNC)c1 ZINC000066225863 521642092 /nfs/dbraw/zinc/64/20/92/521642092.db2.gz WUYVXYQKSCOQIV-UHFFFAOYSA-N 0 3 291.395 2.107 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2ccccc2)C1 ZINC000052594580 521644154 /nfs/dbraw/zinc/64/41/54/521644154.db2.gz RPNVUIFGKYFNST-HNNXBMFYSA-N 0 3 275.396 2.312 10 0 CEAEHN CCN1CCC[C@H](Nc2nc(Cl)nc(Cl)n2)C1 ZINC000061518651 521649530 /nfs/dbraw/zinc/64/95/30/521649530.db2.gz AUHLXCWXDCKJOY-ZETCQYMHSA-N 0 3 276.171 2.075 10 0 CEAEHN CCNC(=O)CCN[C@@H]1CCCc2sccc21 ZINC000061362138 521735925 /nfs/dbraw/zinc/73/59/25/521735925.db2.gz FZAZETMIAMPEHL-LLVKDONJSA-N 0 3 252.383 2.241 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000052807918 521823151 /nfs/dbraw/zinc/82/31/51/521823151.db2.gz ODBDFKGHJDWEPS-OLZOCXBDSA-N 0 3 294.395 2.082 10 0 CEAEHN COCC[C@@H](N)c1nc2cccc(Cl)c2n1C ZINC000052785269 521834333 /nfs/dbraw/zinc/83/43/33/521834333.db2.gz GJTOOKBTIRGDGH-SECBINFHSA-N 0 3 253.733 2.263 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2cc(F)ccc2F)c[nH]1 ZINC000052811120 521834870 /nfs/dbraw/zinc/83/48/70/521834870.db2.gz XAMWFZZGZKUJIJ-LLVKDONJSA-N 0 3 267.279 2.391 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531987 521836502 /nfs/dbraw/zinc/83/65/02/521836502.db2.gz CLRNWNHDQXUCBS-TVQRCGJNSA-N 0 3 250.342 2.316 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1nc(C2CC2)c(C=O)s1 ZINC000069181232 521845591 /nfs/dbraw/zinc/84/55/91/521845591.db2.gz LRXSLLCMBOSZBM-NSHDSACASA-N 0 3 279.409 2.363 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000052554794 521859072 /nfs/dbraw/zinc/85/90/72/521859072.db2.gz MLIBWAUWRODTJC-HNNXBMFYSA-N 0 3 269.348 2.114 10 0 CEAEHN COC(=O)c1ccc(CN[C@@H](C)[C@H]2CCCO2)cc1F ZINC000183156626 522035451 /nfs/dbraw/zinc/03/54/51/522035451.db2.gz JBKMFSLFLWIWJU-IINYFYTJSA-N 0 3 281.327 2.269 10 0 CEAEHN CNCc1cc(Br)cnc1-n1ccc(C)n1 ZINC000052885177 522102526 /nfs/dbraw/zinc/10/25/26/522102526.db2.gz NNRAHWPDAYMSJZ-UHFFFAOYSA-N 0 3 281.157 2.058 10 0 CEAEHN CNCc1occc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573117 522163868 /nfs/dbraw/zinc/16/38/68/522163868.db2.gz BFHHEJSEGYQBLU-UONOGXRCSA-N 0 3 264.369 2.142 10 0 CEAEHN CNCc1sc(N2C[C@@H](C)O[C@@H](C)C2)nc1C1CC1 ZINC000069146669 522169003 /nfs/dbraw/zinc/16/90/03/522169003.db2.gz BRAOHRPBPCTRRV-AOOOYVTPSA-N 0 3 281.425 2.354 10 0 CEAEHN COC(=O)c1ccccc1CNCCN1CCCCC1 ZINC000049574869 522263703 /nfs/dbraw/zinc/26/37/03/522263703.db2.gz RWIVIEXNPHYGEC-UHFFFAOYSA-N 0 3 276.380 2.049 10 0 CEAEHN CN(C)c1cccc(OCc2ccnc(CN)c2)c1 ZINC000068751866 522283298 /nfs/dbraw/zinc/28/32/98/522283298.db2.gz HJOVNZZENORNHD-UHFFFAOYSA-N 0 3 257.337 2.185 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1nnc(C)o1 ZINC000062746229 522332803 /nfs/dbraw/zinc/33/28/03/522332803.db2.gz RXYGDVJEZGXLQU-QMMMGPOBSA-N 0 3 265.288 2.377 10 0 CEAEHN CN[C@@H](C)c1cnc(N(C)[C@@H]2CCSC2)s1 ZINC000054903024 522337308 /nfs/dbraw/zinc/33/73/08/522337308.db2.gz YOOPYDMQBHUDAG-DTWKUNHWSA-N 0 3 257.428 2.365 10 0 CEAEHN CN[C@@H](Cc1nc(C)cs1)c1cncc(F)c1 ZINC000055268293 522365303 /nfs/dbraw/zinc/36/53/03/522365303.db2.gz KWIWPZJWPVXGTJ-NSHDSACASA-N 0 3 251.330 2.489 10 0 CEAEHN CN[C@@H](c1cnn(C)c1)c1ccc2ncccc2c1 ZINC000062802275 522374784 /nfs/dbraw/zinc/37/47/84/522374784.db2.gz IAKDJLDXUWZAMZ-OAHLLOKOSA-N 0 3 252.321 2.277 10 0 CEAEHN CCc1nc(N(C)CCc2ccncc2)sc1CN ZINC000054998085 522379304 /nfs/dbraw/zinc/37/93/04/522379304.db2.gz UOLOUWSYFCSNON-UHFFFAOYSA-N 0 3 276.409 2.238 10 0 CEAEHN CN[C@H](C)c1c(C)nn(C[C@@H]2CCCCO2)c1C ZINC000054717879 522445323 /nfs/dbraw/zinc/44/53/23/522445323.db2.gz PJGBDRKQRBYWKD-MFKMUULPSA-N 0 3 251.374 2.349 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCC(=O)NC(C)(C)C ZINC000062746559 522447976 /nfs/dbraw/zinc/44/79/76/522447976.db2.gz MDLXHNHPCUVFEK-SNVBAGLBSA-N 0 3 282.359 2.400 10 0 CEAEHN CN[C@H](c1ccc(Br)cc1)[C@H]1COCCO1 ZINC000055299282 522480062 /nfs/dbraw/zinc/48/00/62/522480062.db2.gz GTYOVWRTJJAFCD-VXGBXAGGSA-N 0 3 286.169 2.125 10 0 CEAEHN CC[C@H](NC(=O)[C@@H]1CCCCN1)c1cccs1 ZINC000049532087 522496221 /nfs/dbraw/zinc/49/62/21/522496221.db2.gz KOCSXBYOYPBAIN-QWRGUYRKSA-N 0 3 252.383 2.458 10 0 CEAEHN COC[C@H](C)N(C)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710889 522594438 /nfs/dbraw/zinc/59/44/38/522594438.db2.gz HSOYFVKTWZSCNS-UFBFGSQYSA-N 0 3 276.302 2.070 10 0 CEAEHN CNc1ncc(C(=O)N[C@H](CN(C)C)C(C)C)cc1Cl ZINC000050779705 522699710 /nfs/dbraw/zinc/69/97/10/522699710.db2.gz IAINCAPYUPXJQM-GFCCVEGCSA-N 0 3 298.818 2.093 10 0 CEAEHN COc1cc([C@@H](O)[C@H](N)c2ccccc2)ccc1O ZINC000054681657 522913578 /nfs/dbraw/zinc/91/35/78/522913578.db2.gz PTDDSWKGFXSPGZ-HUUCEWRRSA-N 0 3 259.305 2.134 10 0 CEAEHN COc1cc([C@H](N)c2cncnc2)cc(Cl)c1OC ZINC000052887271 522952784 /nfs/dbraw/zinc/95/27/84/522952784.db2.gz NMMRROFMTXDLCR-LBPRGKRZSA-N 0 3 279.727 2.195 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1[C@@H]1CNCc2ccccc21 ZINC000069266134 523346266 /nfs/dbraw/zinc/34/62/66/523346266.db2.gz ZEALLKRYSMKHKZ-DUVNUKRYSA-N 0 3 260.381 2.330 10 0 CEAEHN CN(Cc1cccnc1)Cc1nc(NN)ccc1Cl ZINC000061630982 523417963 /nfs/dbraw/zinc/41/79/63/523417963.db2.gz JRZAKISMNSJAFZ-UHFFFAOYSA-N 0 3 277.759 2.048 10 0 CEAEHN CN(Cc1ccsc1)Cc1cccnc1C(=N)N ZINC000061657972 523487850 /nfs/dbraw/zinc/48/78/50/523487850.db2.gz BDGCPFBMVVESPO-UHFFFAOYSA-N 0 3 260.366 2.059 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1ccc(F)cc1C ZINC000050578638 523502703 /nfs/dbraw/zinc/50/27/03/523502703.db2.gz UPANCNNJEBXUJU-HIFRSBDPSA-N 0 3 266.360 2.245 10 0 CEAEHN COCCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000049507497 523908182 /nfs/dbraw/zinc/90/81/82/523908182.db2.gz ICCFKPSLIWLAAD-GHMZBOCLSA-N 0 3 284.425 2.167 10 0 CEAEHN COCCNCc1ccc(-n2cc(Cl)cn2)cc1 ZINC000062738704 523952162 /nfs/dbraw/zinc/95/21/62/523952162.db2.gz POMYELCYIGLYFF-UHFFFAOYSA-N 0 3 265.744 2.262 10 0 CEAEHN COCCNCc1ccccc1N(C)[C@H]1CCSC1 ZINC000062735572 523953877 /nfs/dbraw/zinc/95/38/77/523953877.db2.gz LNDPVFHUFVLLNM-AWEZNQCLSA-N 0 3 280.437 2.364 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@@H](N)c2ccccc2OC)CC1 ZINC000055065589 523954735 /nfs/dbraw/zinc/95/47/35/523954735.db2.gz FFVUTUUWVDULAZ-GOEBONIOSA-N 0 3 291.439 2.111 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(N)c(OC(C)C)n2)CC1 ZINC000055066395 523960990 /nfs/dbraw/zinc/96/09/90/523960990.db2.gz GMNKBZZPTZRMHD-ZDUSSCGKSA-N 0 3 292.427 2.372 10 0 CEAEHN CC[C@H](C)N1CCN(c2ncc([C@@H](C)NC)s2)CC1 ZINC000055076253 523961596 /nfs/dbraw/zinc/96/15/96/523961596.db2.gz DMJKGVVQEPUVJV-NWDGAFQWSA-N 0 3 282.457 2.344 10 0 CEAEHN COc1ccc(CCNCc2ccnc(C)n2)cc1 ZINC000054790011 523976138 /nfs/dbraw/zinc/97/61/38/523976138.db2.gz OVPMYRBKSDBURU-UHFFFAOYSA-N 0 3 257.337 2.126 10 0 CEAEHN COc1ccc(CN(C)Cc2occc2CN)cc1 ZINC000052541610 524008509 /nfs/dbraw/zinc/00/85/09/524008509.db2.gz BIZYLVBLCSNJBL-UHFFFAOYSA-N 0 3 260.337 2.379 10 0 CEAEHN CNC(=O)CCCOc1cc(C)ccc1[C@H](C)NC ZINC000068817077 524065313 /nfs/dbraw/zinc/06/53/13/524065313.db2.gz UGWUKQGOJPHDPB-LBPRGKRZSA-N 0 3 264.369 2.180 10 0 CEAEHN CNC(=O)CCCOc1ccc(OC)cc1CNC(C)C ZINC000068816079 524065500 /nfs/dbraw/zinc/06/55/00/524065500.db2.gz VNUHSDUNFZMOGP-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN COc1ccc(CNC(C)(C)C)c(OCC(=O)N(C)C)c1 ZINC000062733082 524068354 /nfs/dbraw/zinc/06/83/54/524068354.db2.gz JBTRZSSIJMIZLP-UHFFFAOYSA-N 0 3 294.395 2.050 10 0 CEAEHN Cc1ccc(C)c(NS(=O)(=O)C[C@@H]2CCCCN2)c1 ZINC000049630906 524161944 /nfs/dbraw/zinc/16/19/44/524161944.db2.gz ZHZHSNFCSVIZGW-ZDUSSCGKSA-N 0 3 282.409 2.187 10 0 CEAEHN C[C@H](CN1CCCCC1)NCC(=O)Nc1ccccc1 ZINC000049501821 524330765 /nfs/dbraw/zinc/33/07/65/524330765.db2.gz PAUNNMFNZZLFRP-CQSZACIVSA-N 0 3 275.396 2.089 10 0 CEAEHN C[C@H](CN1CCCCC1)Nc1nc(Cl)nc(Cl)n1 ZINC000061518684 524336147 /nfs/dbraw/zinc/33/61/47/524336147.db2.gz VMUZKBGMGVLGDD-MRVPVSSYSA-N 0 3 290.198 2.465 10 0 CEAEHN COc1ccccc1Cn1ccnc1CNC(C)C ZINC000051005471 524519582 /nfs/dbraw/zinc/51/95/82/524519582.db2.gz MGPXXKXSMQFLQQ-UHFFFAOYSA-N 0 3 259.353 2.438 10 0 CEAEHN COc1ccccc1N(C)c1ccnc(C(=N)N)c1 ZINC000061814328 524527738 /nfs/dbraw/zinc/52/77/38/524527738.db2.gz XRJZWWCPFMZGEK-UHFFFAOYSA-N 0 3 256.309 2.142 10 0 CEAEHN Cc1ccc(CNCC(=O)N2CCCCC2)cc1C ZINC000067672789 524573879 /nfs/dbraw/zinc/57/38/79/524573879.db2.gz JUERIZCXFMHJMR-UHFFFAOYSA-N 0 3 260.381 2.406 10 0 CEAEHN Cc1cccc(NC(=O)CN[C@H](CC(C)C)CN(C)C)c1 ZINC000049556013 524598505 /nfs/dbraw/zinc/59/85/05/524598505.db2.gz RDOXIEGCGWBVJZ-MRXNPFEDSA-N 0 3 291.439 2.499 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2NCCC[C@H]2C)c(C)c1 ZINC000061568491 524599892 /nfs/dbraw/zinc/59/98/92/524599892.db2.gz GWHYXNKJWRKSNU-QMTHXVAHSA-N 0 3 262.353 2.330 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc(F)c1N ZINC000054212649 524604562 /nfs/dbraw/zinc/60/45/62/524604562.db2.gz GLPLDOGSHIMHPX-NSHDSACASA-N 0 3 279.359 2.012 10 0 CEAEHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000183127803 524604944 /nfs/dbraw/zinc/60/49/44/524604944.db2.gz MDNWLBKXSWGLLA-SLEUVZQESA-N 0 3 292.379 2.179 10 0 CEAEHN C[C@H]1CN(c2nc(C3CC3)c(CN)s2)C[C@H](C)O1 ZINC000069146667 524675174 /nfs/dbraw/zinc/67/51/74/524675174.db2.gz FKBJYFHEHMIAHC-IUCAKERBSA-N 0 3 267.398 2.093 10 0 CEAEHN Cc1cccc(NS(=O)(=O)C[C@@H]2CCCCN2)c1C ZINC000049630902 524688800 /nfs/dbraw/zinc/68/88/00/524688800.db2.gz RKKGOPNKVMLNQB-ZDUSSCGKSA-N 0 3 282.409 2.187 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cccc2ncccc21 ZINC000069133127 524698623 /nfs/dbraw/zinc/69/86/23/524698623.db2.gz ORPQJPOIRKWKEV-RYUDHWBXSA-N 0 3 269.348 2.057 10 0 CEAEHN Cc1cc(CN[C@H](CC(C)C)C(=O)N(C)C)c(C)n1C ZINC000052789893 524780050 /nfs/dbraw/zinc/78/00/50/524780050.db2.gz QZHIPVMINZPAJV-OAHLLOKOSA-N 0 3 279.428 2.234 10 0 CEAEHN C[C@@H]1CN(C)c2c(Br)cccc2CN1 ZINC000062625830 524914368 /nfs/dbraw/zinc/91/43/68/524914368.db2.gz AMQJLEUERIBHOD-MRVPVSSYSA-N 0 3 255.159 2.377 10 0 CEAEHN C[C@@H](Cc1ccco1)NC(=O)c1cccc(CN)c1 ZINC000049126629 524927601 /nfs/dbraw/zinc/92/76/01/524927601.db2.gz XKBOXVPTVHFOJU-NSHDSACASA-N 0 3 258.321 2.099 10 0 CEAEHN COc1ccc(OC[C@H](C)O)c(CNC(C)(C)C)c1 ZINC000062727538 524971248 /nfs/dbraw/zinc/97/12/48/524971248.db2.gz VTFYFJFPEILPNH-NSHDSACASA-N 0 3 267.369 2.343 10 0 CEAEHN C[C@H]1Cc2ccccc2N1Cc1cccnc1CN ZINC000061656468 524994440 /nfs/dbraw/zinc/99/44/40/524994440.db2.gz MIUIMIFWVXEMGJ-LBPRGKRZSA-N 0 3 253.349 2.492 10 0 CEAEHN C[C@@H]1CN(Cc2ccoc2CNC2CC2)C[C@@H](C)O1 ZINC000052380455 525023511 /nfs/dbraw/zinc/02/35/11/525023511.db2.gz QYLCBSZDBYFHPO-VXGBXAGGSA-N 0 3 264.369 2.141 10 0 CEAEHN C[C@@H](N)c1cnc(N2CC(=O)Nc3ccccc32)s1 ZINC000054894854 525032526 /nfs/dbraw/zinc/03/25/26/525032526.db2.gz WPMWEMXTBVXNPX-MRVPVSSYSA-N 0 3 274.349 2.253 10 0 CEAEHN COc1ncccc1C(=O)Nc1ccccc1[C@H](C)N ZINC000061442717 525043330 /nfs/dbraw/zinc/04/33/30/525043330.db2.gz XAPRVNNUAZTHCW-JTQLQIEISA-N 0 3 271.320 2.362 10 0 CEAEHN C[C@](N)(C(=O)N1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000050600203 525145317 /nfs/dbraw/zinc/14/53/17/525145317.db2.gz LNJSGOSDWPCBHS-XJKSGUPXSA-N 0 3 258.365 2.130 10 0 CEAEHN C[C@H](NC(=O)[C@H](CN)c1ccccc1)c1ccco1 ZINC000061611353 525165553 /nfs/dbraw/zinc/16/55/53/525165553.db2.gz GYOXJQQWMUJFMH-WCQYABFASA-N 0 3 258.321 2.199 10 0 CEAEHN Cc1ccc(NS(=O)(=O)CCNC(C)C)cc1C ZINC000049641548 525293962 /nfs/dbraw/zinc/29/39/62/525293962.db2.gz LFYYGDVUXFPQFX-UHFFFAOYSA-N 0 3 270.398 2.043 10 0 CEAEHN Cc1cc(N[C@H]2CCN(C3CC3)C2)nc(Cl)n1 ZINC000052814890 525301717 /nfs/dbraw/zinc/30/17/17/525301717.db2.gz GBDYNTRZMHKFHG-VIFPVBQESA-N 0 3 252.749 2.087 10 0 CEAEHN C[C@]1(c2ccccc2)CN(Cc2ccccn2)CCN1 ZINC000068693696 525332821 /nfs/dbraw/zinc/33/28/21/525332821.db2.gz JKRGDXIXONFEOI-QGZVFWFLSA-N 0 3 267.376 2.402 10 0 CEAEHN Cc1ccccc1SC[C@@](NC1CC1)(C(N)=O)C1CC1 ZINC000069188283 525339990 /nfs/dbraw/zinc/33/99/90/525339990.db2.gz TVHXASXVIRWLFO-INIZCTEOSA-N 0 3 290.432 2.473 10 0 CEAEHN Cc1ccc(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)c(C)c1 ZINC000068655172 525461728 /nfs/dbraw/zinc/46/17/28/525461728.db2.gz QNOVECKNYOHGMV-GUYCJALGSA-N 0 3 290.407 2.457 10 0 CEAEHN C[C@H](N[C@@H]1CCCc2sccc21)C(=O)NC1CC1 ZINC000061362442 525563967 /nfs/dbraw/zinc/56/39/67/525563967.db2.gz XAPVNPAFAPBORZ-JOYOIKCWSA-N 0 3 264.394 2.382 10 0 CEAEHN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)C1CCN(C)CC1 ZINC000050509513 525589257 /nfs/dbraw/zinc/58/92/57/525589257.db2.gz SHGPUTGMIQCHLP-IUODEOHRSA-N 0 3 276.380 2.132 10 0 CEAEHN C[C@H](O)c1ccccc1NC(=O)CNC1CCCC1 ZINC000049547361 525860440 /nfs/dbraw/zinc/86/04/40/525860440.db2.gz NDAWAIARIVLGOW-NSHDSACASA-N 0 3 262.353 2.211 10 0 CEAEHN COc1cccc(CN(C)Cc2cccnc2C(=N)N)c1 ZINC000061658123 525915141 /nfs/dbraw/zinc/91/51/41/525915141.db2.gz IXJNFVNUQCTFAS-UHFFFAOYSA-N 0 3 284.363 2.006 10 0 CEAEHN Cc1ccc(=O)n(C[C@@H](N)C23CC4CC(CC(C4)C2)C3)n1 ZINC000061810463 525975759 /nfs/dbraw/zinc/97/57/59/525975759.db2.gz UMSRSSCPQHPJSX-UZZMVUAXSA-N 0 3 287.407 2.095 10 0 CEAEHN C[C@H](c1nc([C@H]2CCOC2)no1)[C@H](N)c1ccccc1 ZINC000157960409 526178751 /nfs/dbraw/zinc/17/87/51/526178751.db2.gz OYSICQBDVDGGNA-DRZSPHRISA-N 0 3 273.336 2.377 10 0 CEAEHN C[C@@H]1CCC(=O)[C@@H](CN2CCN(C(C)(C)C)CC2)C1 ZINC000053930350 526238185 /nfs/dbraw/zinc/23/81/85/526238185.db2.gz ZSLLGJOXOFVRND-ZIAGYGMSSA-N 0 3 266.429 2.408 10 0 CEAEHN O[C@H](CNCCSc1ccccc1)C(F)(F)F ZINC000068879290 526276330 /nfs/dbraw/zinc/27/63/30/526276330.db2.gz VECVTDWKVMLOPR-SNVBAGLBSA-N 0 3 265.300 2.292 10 0 CEAEHN Cc1csc(NC(=O)[C@@H](CN)c2ccccc2)n1 ZINC000061610967 526390779 /nfs/dbraw/zinc/39/07/79/526390779.db2.gz YAGQPBQERYOBJH-NSHDSACASA-N 0 3 261.350 2.133 10 0 CEAEHN c1ccc([C@@H]2CCc3[nH]nc(N4CCNCC4)c3C2)cc1 ZINC000062670022 526493308 /nfs/dbraw/zinc/49/33/08/526493308.db2.gz CYQOFRMJPMUZDG-CQSZACIVSA-N 0 3 282.391 2.092 10 0 CEAEHN O=C(CCN[C@H]1CCCc2sccc21)NC1CC1 ZINC000061362163 526515364 /nfs/dbraw/zinc/51/53/64/526515364.db2.gz ACFVEJVEYDLCEZ-LBPRGKRZSA-N 0 3 264.394 2.384 10 0 CEAEHN NC(=S)c1ccc(F)cc1CN1CCCC[C@@H]1CCO ZINC000069402568 527119124 /nfs/dbraw/zinc/11/91/24/527119124.db2.gz JHFYDNMEVMCLIV-CYBMUJFWSA-N 0 3 296.411 2.197 10 0 CEAEHN O=Cc1ccc(N2CC[C@H](N3CCCC3)C2)c(F)c1 ZINC000062980943 527147602 /nfs/dbraw/zinc/14/76/02/527147602.db2.gz YONNEHVJWXDTDJ-ZDUSSCGKSA-N 0 3 262.328 2.313 10 0 CEAEHN NC[C@H](c1ccccc1F)N(CCO)Cc1ccccc1 ZINC000050514079 527230168 /nfs/dbraw/zinc/23/01/68/527230168.db2.gz ZVSSCDNKSYCFTF-QGZVFWFLSA-N 0 3 288.366 2.320 10 0 CEAEHN NC[C@H](c1ccccc1)N(CCO)Cc1ccccc1 ZINC000050514006 527230591 /nfs/dbraw/zinc/23/05/91/527230591.db2.gz MOKWCORLJGXTTL-QGZVFWFLSA-N 0 3 270.376 2.181 10 0 CEAEHN O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CNC2 ZINC000156649101 527290339 /nfs/dbraw/zinc/29/03/39/527290339.db2.gz SFDDPVUBSIXCCO-UHFFFAOYSA-N 0 3 282.299 2.271 10 0 CEAEHN N[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)C1CC1 ZINC000054501684 527340740 /nfs/dbraw/zinc/34/07/40/527340740.db2.gz HRQNHQKANWUMBT-CYBMUJFWSA-N 0 3 259.309 2.134 10 0 CEAEHN N[C@H](c1cncnc1)c1ccccc1Br ZINC000052887389 527392835 /nfs/dbraw/zinc/39/28/35/527392835.db2.gz VPPOOTXFHLHUHR-LLVKDONJSA-N 0 3 264.126 2.287 10 0 CEAEHN Nc1cc(Cl)ccc1C(=O)NCCN1CCCCC1 ZINC000049574373 527451839 /nfs/dbraw/zinc/45/18/39/527451839.db2.gz KMWHKSXSCCFPDP-UHFFFAOYSA-N 0 3 281.787 2.138 10 0 CEAEHN O[C@@H]1c2ccccc2OC[C@H]1N1Cc2ccccc2C1 ZINC000050912089 527680395 /nfs/dbraw/zinc/68/03/95/527680395.db2.gz IFCFEQWAZLKUFI-NVXWUHKLSA-N 0 3 267.328 2.497 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1noc(C(C)C)n1 ZINC000175335230 529069511 /nfs/dbraw/zinc/06/95/11/529069511.db2.gz QLSPZHUSKLQUKD-GFCCVEGCSA-N 0 3 266.389 2.109 10 0 CEAEHN CCCN1CCN(c2ccc(Cl)cc2N)CC1 ZINC000019258157 534933247 /nfs/dbraw/zinc/93/32/47/534933247.db2.gz MMDJUKIQABUFND-UHFFFAOYSA-N 0 3 253.777 2.454 10 0 CEAEHN CC(C)CN1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111032614 535106302 /nfs/dbraw/zinc/10/63/02/535106302.db2.gz YPDGCIFYBXDORC-UHFFFAOYSA-N 0 3 295.427 2.238 10 0 CEAEHN CCNCc1ccc(N2CCC(C(F)(F)F)CC2)nn1 ZINC000088437383 535478864 /nfs/dbraw/zinc/47/88/64/535478864.db2.gz XMALXPKFNYYRNX-UHFFFAOYSA-N 0 3 288.317 2.365 10 0 CEAEHN COC(=O)[C@H](C)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000093036294 536643007 /nfs/dbraw/zinc/64/30/07/536643007.db2.gz ZUVUDXBQJWMYOM-CHWSQXEVSA-N 0 3 294.370 2.145 10 0 CEAEHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190661416 538759533 /nfs/dbraw/zinc/75/95/33/538759533.db2.gz ZZSRNAAEZFNZQR-BMFZPTHFSA-N 0 3 287.407 2.018 10 0 CEAEHN N[C@@H]1C[C@@H](C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 ZINC000675059432 570365341 /nfs/dbraw/zinc/36/53/41/570365341.db2.gz ILTJYJXTBFTPLV-APPZFPTMSA-N 0 3 299.701 2.448 10 0 CEAEHN FC(F)(F)[C@@H]1CCC[C@]2(C1)NCC1(COC1)CO2 ZINC000757145902 574510381 /nfs/dbraw/zinc/51/03/81/574510381.db2.gz QSFQFOKJMIQIKN-KOLCDFICSA-N 0 3 265.275 2.072 10 0 CEAEHN CC(C)[C@@H](NCc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000107323284 567850286 /nfs/dbraw/zinc/85/02/86/567850286.db2.gz RHTWRGVOWBRTET-LLVKDONJSA-N 0 3 274.286 2.305 10 0 CEAEHN CCOC(=O)C1=C(O)CCCN(Cc2ccccc2)CC1 ZINC000299805262 570330253 /nfs/dbraw/zinc/33/02/53/570330253.db2.gz GLLKNHGGZDESFR-HNNXBMFYSA-N 0 3 289.375 2.421 10 0 CEAEHN CC(=O)[C@@H]1CCCN(CCc2scnc2C)C1 ZINC000111689958 624949162 /nfs/dbraw/zinc/94/91/62/624949162.db2.gz CFBHAYAUBLVDRL-GFCCVEGCSA-N 0 3 252.383 2.295 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000177757290 625871327 /nfs/dbraw/zinc/87/13/27/625871327.db2.gz BZVHCZAIKPWAKG-CZUORRHYSA-N 0 3 296.361 2.168 10 0 CEAEHN C[C@H]1CN(C(=O)[C@H](N)CC2CCCCC2)CCS1 ZINC000261577432 628941166 /nfs/dbraw/zinc/94/11/66/628941166.db2.gz OISPQALFYFUJBN-WCQYABFASA-N 0 3 270.442 2.248 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2ccc(F)cc2C1 ZINC000237054414 629180501 /nfs/dbraw/zinc/18/05/01/629180501.db2.gz PSPGUPABZWYGAX-IINYFYTJSA-N 0 3 264.344 2.084 10 0 CEAEHN COC(=O)C[C@H](N)c1cc(C(F)(F)F)ccc1F ZINC000095638528 632253543 /nfs/dbraw/zinc/25/35/43/632253543.db2.gz PTAIDASGVRVGAB-VIFPVBQESA-N 0 3 265.206 2.407 10 0 CEAEHN CCOc1ccccc1CN1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228697871 639653656 /nfs/dbraw/zinc/65/36/56/639653656.db2.gz TZNTTZATEGXSJW-OCCSQVGLSA-N 0 3 277.364 2.326 10 0 CEAEHN C[C@H]1[C@H](NCc2c[nH]cn2)CCCN1C(=O)OC(C)(C)C ZINC000230943676 639807056 /nfs/dbraw/zinc/80/70/56/639807056.db2.gz SKJJRYQRXJSVTF-WCQYABFASA-N 0 3 294.399 2.287 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cnc(Cl)cn1 ZINC000231283168 639844620 /nfs/dbraw/zinc/84/46/20/639844620.db2.gz DLJJFKLINLNPPJ-DGCLKSJQSA-N 0 3 280.803 2.189 10 0 CEAEHN COc1c(C)cnc(CNC[C@@H](O)C(C)(C)C)c1C ZINC000324433887 640574621 /nfs/dbraw/zinc/57/46/21/640574621.db2.gz CBMIVPVQYMCMCT-CYBMUJFWSA-N 0 3 266.385 2.204 10 0 CEAEHN O[C@H](CN[C@@H]1COc2ccccc21)c1ccccc1 ZINC000070529587 641678608 /nfs/dbraw/zinc/67/86/08/641678608.db2.gz OGVIDILTOUJIJW-HUUCEWRRSA-N 0 3 255.317 2.443 10 0 CEAEHN Cc1nnsc1CN1CCCCC[C@H]1C[C@@H](C)O ZINC000385275834 642169175 /nfs/dbraw/zinc/16/91/75/642169175.db2.gz HXBVWGLIXMZCHB-PWSUYJOCSA-N 0 3 269.414 2.362 10 0 CEAEHN CCCCOCCCNCc1c(C)nn(C)c1OC ZINC000134083096 652769890 /nfs/dbraw/zinc/76/98/90/652769890.db2.gz DSNYVFAHUYOCLQ-UHFFFAOYSA-N 0 3 269.389 2.034 10 0 CEAEHN FC1(F)CCC[C@@H]1CN1CCO[C@@]2(CCCOC2)C1 ZINC000336265860 365540621 /nfs/dbraw/zinc/54/06/21/365540621.db2.gz ZLKAVAOTLWUUKL-OLZOCXBDSA-N 0 3 275.339 2.303 10 0 CEAEHN CC(C)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096065832 185084182 /nfs/dbraw/zinc/08/41/82/185084182.db2.gz WTEHWVSCWPVYMT-ARFHVFGLSA-N 0 3 276.380 2.238 10 0 CEAEHN CN[C@@](C)(C[C@H](C)Sc1cccs1)C(N)=O ZINC000082797654 178301155 /nfs/dbraw/zinc/30/11/55/178301155.db2.gz MCYJHPBGMLKWIS-KWQFWETISA-N 0 3 258.412 2.082 10 0 CEAEHN CCCC(=O)OC[C@@H](O)CN(Cc1cccs1)C1CC1 ZINC000036031645 361825362 /nfs/dbraw/zinc/82/53/62/361825362.db2.gz SURNVZBQPLDYPC-ZDUSSCGKSA-N 0 3 297.420 2.417 10 0 CEAEHN O[C@H]1CCCC[C@H]1NCc1cn2cc(Cl)ccc2n1 ZINC000096630388 185107754 /nfs/dbraw/zinc/10/77/54/185107754.db2.gz LQTHIUIDSGELAH-OLZOCXBDSA-N 0 3 279.771 2.381 10 0 CEAEHN Cc1cccc(C)c1CCNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000125347477 187180887 /nfs/dbraw/zinc/18/08/87/187180887.db2.gz SSYFHKFIMYPFOT-OAHLLOKOSA-N 0 3 289.423 2.191 10 0 CEAEHN CC(=O)Nc1sc2c(c1Br)CCNC2 ZINC000036382634 361843957 /nfs/dbraw/zinc/84/39/57/361843957.db2.gz CVPWRXHFHNMPOF-UHFFFAOYSA-N 0 3 275.171 2.115 10 0 CEAEHN NC[C@@H](c1ccc2c(c1)OCCCO2)N1CCCCC1 ZINC000037675141 361921240 /nfs/dbraw/zinc/92/12/40/361921240.db2.gz ZTZWOYXQTOHXLS-AWEZNQCLSA-N 0 3 276.380 2.334 10 0 CEAEHN COCCCNCc1cc2cccc3c2n(c1=O)CCC3 ZINC000039287222 361987767 /nfs/dbraw/zinc/98/77/67/361987767.db2.gz KSFJMZWRXQMLID-UHFFFAOYSA-N 0 3 286.375 2.074 10 0 CEAEHN C[C@H](CNCc1ccccc1Cl)N1CCN(C)CC1 ZINC000040165695 361989988 /nfs/dbraw/zinc/98/99/88/361989988.db2.gz XADRZJUALVZLEV-CYBMUJFWSA-N 0 3 281.831 2.066 10 0 CEAEHN COC(=O)C1C(=O)Nc2c1c(Cl)ccc2Cl ZINC000725256070 539201816 /nfs/dbraw/zinc/20/18/16/539201816.db2.gz SOTWSHOBHOEWSK-ZETCQYMHSA-N 0 3 260.076 2.202 10 0 CEAEHN O=C(N[C@@H]1CCCNC[C@@H]1F)OCc1ccccc1 ZINC000725262007 539209886 /nfs/dbraw/zinc/20/98/86/539209886.db2.gz QPJQHXOAZRHVCN-QWHCGFSZSA-N 0 3 266.316 2.003 10 0 CEAEHN O=C(N[C@@H]1CCCNC[C@H]1F)OCc1ccccc1 ZINC000725262005 539209958 /nfs/dbraw/zinc/20/99/58/539209958.db2.gz QPJQHXOAZRHVCN-CHWSQXEVSA-N 0 3 266.316 2.003 10 0 CEAEHN CC(C)n1ccnc1CN[C@H]1CCCC[C@@H]1CO ZINC000124994426 539212716 /nfs/dbraw/zinc/21/27/16/539212716.db2.gz CIJUTSYOOMHNNG-OLZOCXBDSA-N 0 3 251.374 2.105 10 0 CEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)C[C@H](CC)O1 ZINC000398581313 539262400 /nfs/dbraw/zinc/26/24/00/539262400.db2.gz MDPLZTPFSJDVLN-BARDWOONSA-N 0 3 255.402 2.427 10 0 CEAEHN CCc1ncc(CN[C@@H]2CCCC[C@@H]2CO)s1 ZINC000084045703 539282232 /nfs/dbraw/zinc/28/22/32/539282232.db2.gz CQHOFMYLOXLEJB-ZYHUDNBSSA-N 0 3 254.399 2.346 10 0 CEAEHN C[C@H](NC(=O)CNC1CC1)c1ccc2c(c1)CCCC2 ZINC000037390267 343427235 /nfs/dbraw/zinc/42/72/35/343427235.db2.gz ONVINTDQIKVWAK-LBPRGKRZSA-N 0 3 272.392 2.495 10 0 CEAEHN Cc1noc(C)c1CCN1CCC[C@H]1CCCO ZINC000336703886 365769677 /nfs/dbraw/zinc/76/96/77/365769677.db2.gz IQJMHAVUDARCMZ-ZDUSSCGKSA-N 0 3 252.358 2.071 10 0 CEAEHN COc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1F ZINC000128223682 187358189 /nfs/dbraw/zinc/35/81/89/187358189.db2.gz PNEGIBSCOBAHAN-AAEUAGOBSA-N 0 3 294.370 2.293 10 0 CEAEHN CCOC(=O)c1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000113030091 344275793 /nfs/dbraw/zinc/27/57/93/344275793.db2.gz FFRKYQXPGWEEMW-BETUJISGSA-N 0 3 276.380 2.392 10 0 CEAEHN CCN1CCO[C@H](CNCc2cccc3cccnc32)C1 ZINC000113266766 344276359 /nfs/dbraw/zinc/27/63/59/344276359.db2.gz AYHPOFHLUCYMJI-MRXNPFEDSA-N 0 3 285.391 2.045 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000170868202 344491673 /nfs/dbraw/zinc/49/16/73/344491673.db2.gz ZKZGGVDAHBDZPL-QAPCUYQASA-N 0 3 286.419 2.443 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC000170859545 344491823 /nfs/dbraw/zinc/49/18/23/344491823.db2.gz GUDVJBPUTWSQKA-INIZCTEOSA-N 0 3 283.375 2.253 10 0 CEAEHN CCOC(=O)C[C@H](O)CN[C@H](C)c1ccc(CC)cc1 ZINC000233992100 344583006 /nfs/dbraw/zinc/58/30/06/344583006.db2.gz YUWYVWHNLHNHBZ-DOMZBBRYSA-N 0 3 279.380 2.214 10 0 CEAEHN CN1CCC[C@H](N)[C@@H]1c1occc1Br ZINC000234328927 344584155 /nfs/dbraw/zinc/58/41/55/344584155.db2.gz RKBPYSKBBSCSGV-DTWKUNHWSA-N 0 3 259.147 2.136 10 0 CEAEHN CN(CCOc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000052815600 362475936 /nfs/dbraw/zinc/47/59/36/362475936.db2.gz WUWFBSRVWQUSHX-CYBMUJFWSA-N 0 3 299.386 2.312 10 0 CEAEHN CN(C)C[C@@H](NC(=O)NCc1ccco1)c1ccccc1 ZINC000053249482 362489074 /nfs/dbraw/zinc/48/90/74/362489074.db2.gz COBIWSLKRZGAAL-OAHLLOKOSA-N 0 3 287.363 2.382 10 0 CEAEHN CN[C@H](C)C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000309803355 344729622 /nfs/dbraw/zinc/72/96/22/344729622.db2.gz KIHHCGZRAJBZQR-CQSZACIVSA-N 0 3 298.386 2.490 10 0 CEAEHN C[C@@H]1[C@@H](Nc2cnc(N)cn2)CCN1Cc1ccccc1 ZINC000306605913 344715650 /nfs/dbraw/zinc/71/56/50/344715650.db2.gz QMJJPIHEZCIAHI-OCCSQVGLSA-N 0 3 283.379 2.134 10 0 CEAEHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC1=NCCS1 ZINC000306889073 344718482 /nfs/dbraw/zinc/71/84/82/344718482.db2.gz WXBWTYZZQOVURU-TZMCWYRMSA-N 0 3 275.421 2.199 10 0 CEAEHN Fc1cc(CN2CC[C@H]3OCCN[C@@H]3C2)ccc1Cl ZINC000404288400 344879654 /nfs/dbraw/zinc/87/96/54/344879654.db2.gz YVDPYVQXRKBVQL-ZIAGYGMSSA-N 0 3 284.762 2.042 10 0 CEAEHN CCN[C@H](C[S@@](=O)CCOC)c1cc(C)ccc1OC ZINC000084035426 178774836 /nfs/dbraw/zinc/77/48/36/178774836.db2.gz ZSQCTFNQCHXCKM-JLTOFOAXSA-N 0 3 299.436 2.049 10 0 CEAEHN Brc1ccc([C@@H]2O[C@H]3CN[C@@H]2C3)cc1 ZINC000584626869 344968913 /nfs/dbraw/zinc/96/89/13/344968913.db2.gz DSVKOTGRDBKALE-MXWKQRLJSA-N 0 3 254.127 2.251 10 0 CEAEHN C[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H](C)O1 ZINC000053602169 362496809 /nfs/dbraw/zinc/49/68/09/362496809.db2.gz YNMYKIBDNKBPLL-NXEZZACHSA-N 0 3 255.280 2.065 10 0 CEAEHN CN[C@H](C)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000054074577 362509100 /nfs/dbraw/zinc/50/91/00/362509100.db2.gz ONHPHWOBHISXRN-LLVKDONJSA-N 0 3 250.342 2.268 10 0 CEAEHN NC[C@@H](CS(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000084268553 178836070 /nfs/dbraw/zinc/83/60/70/178836070.db2.gz SXTULFWWZUHZDM-ZDUSSCGKSA-N 0 3 293.363 2.342 10 0 CEAEHN Cc1ccc(S[C@@H](C)C[C@@](C)(N)C(N)=O)cc1C ZINC000084348884 178861940 /nfs/dbraw/zinc/86/19/40/178861940.db2.gz BHQPJZKRRPJQMF-SMDDNHRTSA-N 0 3 266.410 2.377 10 0 CEAEHN CN[C@H](c1cccnc1OC)[C@@H]1CCc2cccnc21 ZINC000097305557 185582105 /nfs/dbraw/zinc/58/21/05/185582105.db2.gz LYFXTSZLRIESPW-DOMZBBRYSA-N 0 3 269.348 2.476 10 0 CEAEHN N[C@H](Cc1cncs1)[C@@H]1OCCc2ccccc21 ZINC000097386402 185596053 /nfs/dbraw/zinc/59/60/53/185596053.db2.gz ALYLAZQXZFGBEE-ZIAGYGMSSA-N 0 3 260.362 2.327 10 0 CEAEHN CCN[C@@H](COC(C)C)c1cnnn1-c1ccccc1 ZINC000097423659 185601005 /nfs/dbraw/zinc/60/10/05/185601005.db2.gz WDFKMWUTXZKWPD-AWEZNQCLSA-N 0 3 274.368 2.343 10 0 CEAEHN CCCOCC[C@H](NC)c1c(Cl)cnn1CCOC ZINC000097461762 185610414 /nfs/dbraw/zinc/61/04/14/185610414.db2.gz IEFNZZORSYKKSL-LBPRGKRZSA-N 0 3 289.807 2.260 10 0 CEAEHN Ic1cnc([C@H]2CCCN2)s1 ZINC000085352038 179029553 /nfs/dbraw/zinc/02/95/53/179029553.db2.gz UQQLXOHUGLLGJY-RXMQYKEDSA-N 0 3 280.134 2.172 10 0 CEAEHN COc1ccc(C(=O)N(C)c2cccc(CN)c2)cc1 ZINC000061950343 362700291 /nfs/dbraw/zinc/70/02/91/362700291.db2.gz IKCLWFBBSBDUHC-UHFFFAOYSA-N 0 3 270.332 2.431 10 0 CEAEHN CCN(CC)CCc1ncc(Br)c(NC)n1 ZINC000085461732 179069199 /nfs/dbraw/zinc/06/91/99/179069199.db2.gz MHPSIFDOKISXJR-UHFFFAOYSA-N 0 3 287.205 2.165 10 0 CEAEHN C[C@H]1CN[C@H](c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085504570 179084346 /nfs/dbraw/zinc/08/43/46/179084346.db2.gz UVYYSTJQTBSAPN-BPUTZDHNSA-N 0 3 260.381 2.200 10 0 CEAEHN CC(C)c1nc2c(n1C[C@@H]1CCCCN1C)CCNC2 ZINC000085572837 179098018 /nfs/dbraw/zinc/09/80/18/179098018.db2.gz GPJANMRFFQRJFD-ZDUSSCGKSA-N 0 3 276.428 2.137 10 0 CEAEHN C[C@@H]1CN[C@](C)(c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085531825 179091771 /nfs/dbraw/zinc/09/17/71/179091771.db2.gz WIHAMYFYBLZFDE-PBHICJAKSA-N 0 3 284.407 2.129 10 0 CEAEHN CN1CC[C@H](n2c3c(nc2C2CCCCC2)CNCC3)C1 ZINC000085607102 179101137 /nfs/dbraw/zinc/10/11/37/179101137.db2.gz HSCFADMQSGZVDA-AWEZNQCLSA-N 0 3 288.439 2.453 10 0 CEAEHN CCC[C@@H](N)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000236900994 370649923 /nfs/dbraw/zinc/64/99/23/370649923.db2.gz FBLVOURQGXLPRF-JKSUJKDBSA-N 0 3 290.407 2.322 10 0 CEAEHN CCN[C@H](CCO)C[S@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927581 179202304 /nfs/dbraw/zinc/20/23/04/179202304.db2.gz XJGPHBSJZNFQJD-JLTOFOAXSA-N 0 3 297.464 2.452 10 0 CEAEHN C[C@@H]1CC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)[C@@H]1C ZINC000086075459 179225292 /nfs/dbraw/zinc/22/52/92/179225292.db2.gz LUTGZTCGWDFWGE-QHSBEEBCSA-N 0 3 260.381 2.107 10 0 CEAEHN CCCN[C@@H](c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022376 179219039 /nfs/dbraw/zinc/21/90/39/179219039.db2.gz HUSPGDURVDVXQR-TZMCWYRMSA-N 0 3 285.409 2.372 10 0 CEAEHN Cc1cc([C@@H](N)[C@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000086023057 179219127 /nfs/dbraw/zinc/21/91/27/179219127.db2.gz LWECSSASPYOUMF-GWCFXTLKSA-N 0 3 287.812 2.391 10 0 CEAEHN CC(C)[C@H](CO)[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000086122434 179235407 /nfs/dbraw/zinc/23/54/07/179235407.db2.gz KEYTVNCVYZJHGI-NSHDSACASA-N 0 3 288.185 2.261 10 0 CEAEHN O=C1NCCC[C@H]1N[C@H]1CCc2cc(Cl)ccc21 ZINC000129752481 365891925 /nfs/dbraw/zinc/89/19/25/365891925.db2.gz AQKODDVFCQQVLK-QWHCGFSZSA-N 0 3 264.756 2.196 10 0 CEAEHN CN(C[C@H]1CCCN1C)c1nc(Br)cs1 ZINC000086291439 179265177 /nfs/dbraw/zinc/26/51/77/179265177.db2.gz AZJMMUUAVNRXMG-MRVPVSSYSA-N 0 3 290.230 2.436 10 0 CEAEHN CCN(C)CCNc1nc(Br)cs1 ZINC000086279799 179263747 /nfs/dbraw/zinc/26/37/47/179263747.db2.gz VHRNOQPXQITANK-UHFFFAOYSA-N 0 3 264.192 2.269 10 0 CEAEHN CN(c1nc(Br)cs1)[C@H]1CCCN(C)C1 ZINC000086290980 179265253 /nfs/dbraw/zinc/26/52/53/179265253.db2.gz QHUBFPSKGUPINC-QMMMGPOBSA-N 0 3 290.230 2.436 10 0 CEAEHN CCN1C(=O)CC[C@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317423 179270066 /nfs/dbraw/zinc/27/00/66/179270066.db2.gz AXCRKDGBKBVUJC-LRDDRELGSA-N 0 3 269.348 2.246 10 0 CEAEHN CCN[C@H]1CCCc2sc(N3CCCN(C)CC3)nc21 ZINC000086441957 179294139 /nfs/dbraw/zinc/29/41/39/179294139.db2.gz ABDZERZARIJWSA-LBPRGKRZSA-N 0 3 294.468 2.272 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccccc2OC)[C@@H](CC)CN1 ZINC000086446301 179294427 /nfs/dbraw/zinc/29/44/27/179294427.db2.gz KTSDETCNKBULTF-CABCVRRESA-N 0 3 290.407 2.227 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccc(OC)c1O ZINC000086445969 179294851 /nfs/dbraw/zinc/29/48/51/179294851.db2.gz QXHSZNOKVKKVBZ-NWDGAFQWSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(F)c2)[C@H](CC)CN1 ZINC000086446993 179295385 /nfs/dbraw/zinc/29/53/85/179295385.db2.gz VXJRYZKHXPCBBQ-ZIAGYGMSSA-N 0 3 264.344 2.428 10 0 CEAEHN CCCN1CCO[C@@H](CN)[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584981 179309036 /nfs/dbraw/zinc/30/90/36/179309036.db2.gz CWPLPAYJWWIXCB-GJZGRUSLSA-N 0 3 298.814 2.459 10 0 CEAEHN C[C@@H]1CN=C(NCCOc2ccccc2)SC1 ZINC000086633100 179315180 /nfs/dbraw/zinc/31/51/80/179315180.db2.gz XZHNRCVQWBOPLN-LLVKDONJSA-N 0 3 250.367 2.394 10 0 CEAEHN CN(C)C[C@@H](O)Cc1cc(F)cc(Br)c1 ZINC000086696009 179320937 /nfs/dbraw/zinc/32/09/37/179320937.db2.gz SVIASSCHXAXWKB-NSHDSACASA-N 0 3 276.149 2.053 10 0 CEAEHN C[C@H](Cc1ccsc1)N[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675577 179318580 /nfs/dbraw/zinc/31/85/80/179318580.db2.gz CDNUJMDLLKWANJ-WXHSDQCUSA-N 0 3 287.450 2.234 10 0 CEAEHN COCCCN(C)Cc1ccc(Br)cc1N ZINC000086706430 179322126 /nfs/dbraw/zinc/32/21/26/179322126.db2.gz GPRDLBMDPWBUGV-UHFFFAOYSA-N 0 3 287.201 2.500 10 0 CEAEHN CNc1ccccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000042033576 290843025 /nfs/dbraw/zinc/84/30/25/290843025.db2.gz QNZGDOZKZLFIFC-CYBMUJFWSA-N 0 3 277.412 2.434 10 0 CEAEHN CCOC(=O)[C@]1(NCc2ccccc2)CCCN(C)CC1 ZINC000086819793 179348210 /nfs/dbraw/zinc/34/82/10/179348210.db2.gz FRFPIOFREWBOEE-KRWDZBQOSA-N 0 3 290.407 2.194 10 0 CEAEHN CCCN1CCC[C@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851777 179359972 /nfs/dbraw/zinc/35/99/72/179359972.db2.gz RWIQTPXBVPRBMI-OAHLLOKOSA-N 0 3 280.416 2.417 10 0 CEAEHN CC[C@@H](C)[NH2+][C@]1(C(=O)[O-])CCCN(C(C)C)CC1 ZINC000086850480 179358683 /nfs/dbraw/zinc/35/86/83/179358683.db2.gz KEVBEDFKHRUWCV-TZMCWYRMSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCn1nccc1[C@H](N)[C@H]1CSCCS1 ZINC000086983856 179373838 /nfs/dbraw/zinc/37/38/38/179373838.db2.gz GDNXQDXCNVHPCQ-MNOVXSKESA-N 0 3 257.428 2.142 10 0 CEAEHN CC[C@@H](N)c1ccccc1OCCCS(=O)(=O)CC ZINC000086972661 179371488 /nfs/dbraw/zinc/37/14/88/179371488.db2.gz XFYNUNFEYIPZBH-CYBMUJFWSA-N 0 3 285.409 2.300 10 0 CEAEHN CCS(=O)(=O)CCC[C@@](C)(N)c1ccccc1F ZINC000086977344 179371964 /nfs/dbraw/zinc/37/19/64/179371964.db2.gz XJKNBLUTULWDGD-CYBMUJFWSA-N 0 3 273.373 2.215 10 0 CEAEHN CCN[C@@](C)(CC(=O)OC)c1ccc(F)c(F)c1 ZINC000087553676 179445939 /nfs/dbraw/zinc/44/59/39/179445939.db2.gz IGTARGWMHMLSNI-ZDUSSCGKSA-N 0 3 257.280 2.353 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCOCCN1C(C)(C)C ZINC000616656079 348549929 /nfs/dbraw/zinc/54/99/29/348549929.db2.gz IAFGKRHBDKIAEN-LBPRGKRZSA-N 0 3 286.416 2.401 10 0 CEAEHN OCCc1cccc([C@@H]2NCCc3ccccc32)c1 ZINC000616587296 348527094 /nfs/dbraw/zinc/52/70/94/348527094.db2.gz KLBDFJCHBDPBKK-KRWDZBQOSA-N 0 3 253.345 2.457 10 0 CEAEHN CCN1CCOCC[C@@H]1c1ccc2nnccc2c1 ZINC000616598153 348529469 /nfs/dbraw/zinc/52/94/69/348529469.db2.gz HATFMXZURJQUJN-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(C)N1CCOC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616598044 348529604 /nfs/dbraw/zinc/52/96/04/348529604.db2.gz NTJUXLKMXRJNMS-HNNXBMFYSA-N 0 3 271.364 2.454 10 0 CEAEHN OCCc1ccccc1[C@@H]1CNCCN1Cc1ccccc1 ZINC000616603826 348532044 /nfs/dbraw/zinc/53/20/44/348532044.db2.gz GVXPUBFMULIAQI-IBGZPJMESA-N 0 3 296.414 2.368 10 0 CEAEHN CC(C)(C)N1CCNC[C@H]1c1cnnc2ccccc21 ZINC000616605462 348532848 /nfs/dbraw/zinc/53/28/48/348532848.db2.gz YIKDZOBHGCLCND-HNNXBMFYSA-N 0 3 270.380 2.375 10 0 CEAEHN CCOC(=O)c1ccc([C@H]2COCCN(CC)C2)cc1 ZINC000616659237 348551388 /nfs/dbraw/zinc/55/13/88/348551388.db2.gz IFRDSXLXUHJVGD-OAHLLOKOSA-N 0 3 277.364 2.299 10 0 CEAEHN CCOC(=O)c1cccc([C@@H]2CCCN(CCO)C2)c1 ZINC000616620203 348536674 /nfs/dbraw/zinc/53/66/74/348536674.db2.gz IXYHCAHVFAMFOP-OAHLLOKOSA-N 0 3 277.364 2.035 10 0 CEAEHN OCCN1CCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616620744 348537177 /nfs/dbraw/zinc/53/71/77/348537177.db2.gz MZTVMHQXZCUPEZ-CQSZACIVSA-N 0 3 256.349 2.407 10 0 CEAEHN CC(C)NCCS(=O)(=O)N1CCCCc2ccccc21 ZINC000088337514 179579695 /nfs/dbraw/zinc/57/96/95/179579695.db2.gz SNIAZHGWHZXTMP-UHFFFAOYSA-N 0 3 296.436 2.157 10 0 CEAEHN CCc1nc(CC)n([C@@H]2COc3ccccc3[C@@H]2NC)n1 ZINC000088740640 179662245 /nfs/dbraw/zinc/66/22/45/179662245.db2.gz GDKCZLGNBFHKHV-WBMJQRKESA-N 0 3 286.379 2.297 10 0 CEAEHN CC[C@H]1CCCN1S(=O)(=O)c1cc(CNC)cs1 ZINC000088972802 179687939 /nfs/dbraw/zinc/68/79/39/179687939.db2.gz DCUBVVVIRLLFAB-NSHDSACASA-N 0 3 288.438 2.031 10 0 CEAEHN O=S(=O)(NC1CCCC1)c1cccc(CNC2CC2)c1 ZINC000088981120 179689727 /nfs/dbraw/zinc/68/97/27/179689727.db2.gz LYQLPHHSQYWDFF-UHFFFAOYSA-N 0 3 294.420 2.160 10 0 CEAEHN Cc1c(CN)cccc1S(=O)(=O)NC1(C)CCCCC1 ZINC000089013305 179691309 /nfs/dbraw/zinc/69/13/09/179691309.db2.gz FZOUMJWVEIKROV-UHFFFAOYSA-N 0 3 296.436 2.455 10 0 CEAEHN Cc1cc(COc2cc(F)ccc2[C@@H](C)N)n(C)n1 ZINC000089181522 179745312 /nfs/dbraw/zinc/74/53/12/179745312.db2.gz CGRQUIVZVDUFCF-SNVBAGLBSA-N 0 3 263.316 2.466 10 0 CEAEHN CCCN[C@@H](Cc1c(Cl)c(C)nn1C)c1ccn(C)n1 ZINC000089252142 179761012 /nfs/dbraw/zinc/76/10/12/179761012.db2.gz IJTRQDNTYPTIGH-LBPRGKRZSA-N 0 3 295.818 2.399 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(CCSc2ccccc2)C1 ZINC000401597178 233183216 /nfs/dbraw/zinc/18/32/16/233183216.db2.gz WTZGVFJDLUVKQE-QWHCGFSZSA-N 0 3 251.395 2.481 10 0 CEAEHN CCc1cc(Cn2ccc(CNC(C)(C)C)n2)n(C)n1 ZINC000089207567 179754304 /nfs/dbraw/zinc/75/43/04/179754304.db2.gz IUSFVNHLHOCVLH-UHFFFAOYSA-N 0 3 275.400 2.115 10 0 CEAEHN COc1ccc(N)cc1OCCN1CCCCC1 ZINC000090548152 180001684 /nfs/dbraw/zinc/00/16/84/180001684.db2.gz KTSZNTFCOMFPLC-UHFFFAOYSA-N 0 3 250.342 2.142 10 0 CEAEHN CCCn1c2cc(F)ccc2nc1[C@]1(C)COC[C@@H]1N ZINC000090571856 180007411 /nfs/dbraw/zinc/00/74/11/180007411.db2.gz ILEGBBBFMFTFAB-DZGCQCFKSA-N 0 3 277.343 2.201 10 0 CEAEHN C[C@]1(c2nc(C3CCC(C)(C)CC3)no2)COC[C@@H]1N ZINC000090574144 180008622 /nfs/dbraw/zinc/00/86/22/180008622.db2.gz LRDLBOJYFTTWNG-NHYWBVRUSA-N 0 3 279.384 2.369 10 0 CEAEHN CCc1cccc(CC)c1NC(=O)[C@@]1(C)COC[C@H]1N ZINC000090580284 180008812 /nfs/dbraw/zinc/00/88/12/180008812.db2.gz XDRKNDZQCBAGCH-CJNGLKHVSA-N 0 3 276.380 2.114 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc3sccc3c2)COC[C@H]1N ZINC000090586463 180009222 /nfs/dbraw/zinc/00/92/22/180009222.db2.gz YTXIYCMVIRAXCW-TZMCWYRMSA-N 0 3 276.361 2.204 10 0 CEAEHN CCN(Cc1ccccc1Cl)C(=O)[C@]1(C)COC[C@H]1N ZINC000090592307 180010393 /nfs/dbraw/zinc/01/03/93/180010393.db2.gz OQEXHZWMHXHDEE-UKRRQHHQSA-N 0 3 296.798 2.052 10 0 CEAEHN CC(C)COc1ccccc1NC(=O)[C@@]1(C)COC[C@H]1N ZINC000090590058 180010473 /nfs/dbraw/zinc/01/04/73/180010473.db2.gz OXZNMWMZTRNHLL-ZBFHGGJFSA-N 0 3 292.379 2.024 10 0 CEAEHN C[C@H](NC[C@H](C)[S@](C)=O)c1ccc(-n2ccnc2)cc1 ZINC000090842171 180043518 /nfs/dbraw/zinc/04/35/18/180043518.db2.gz FZVWBNJKUSBOKD-KQHSUYLTSA-N 0 3 291.420 2.290 10 0 CEAEHN COCc1cc([C@H](C)NC[C@@H](C)[S@](C)=O)ccc1OC ZINC000090842921 180044160 /nfs/dbraw/zinc/04/41/60/180044160.db2.gz UNROHSXSEAVNTB-XAAFQQQXSA-N 0 3 299.436 2.259 10 0 CEAEHN CCN(CCC(=O)OC)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894718 180056299 /nfs/dbraw/zinc/05/62/99/180056299.db2.gz PIUBERYTLRFCCJ-CYBMUJFWSA-N 0 3 281.327 2.014 10 0 CEAEHN CCCN(CCO)C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090900950 180058904 /nfs/dbraw/zinc/05/89/04/180058904.db2.gz GQZZATUHWSARNV-CYBMUJFWSA-N 0 3 269.772 2.348 10 0 CEAEHN CCc1ccc([C@H](N)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906094 180061018 /nfs/dbraw/zinc/06/10/18/180061018.db2.gz QRDVBODSMWBXJF-OWCLPIDISA-N 0 3 260.381 2.112 10 0 CEAEHN CCC(CC)(CO)NCc1sccc1NC(C)=O ZINC000090960611 180075237 /nfs/dbraw/zinc/07/52/37/180075237.db2.gz DOJXOMJRGZDIBD-UHFFFAOYSA-N 0 3 270.398 2.347 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000090961358 180075928 /nfs/dbraw/zinc/07/59/28/180075928.db2.gz XMWONSLDMDDFIB-NHYWBVRUSA-N 0 3 262.353 2.302 10 0 CEAEHN Nc1ccccc1CNC[C@H]1COc2ccccc2O1 ZINC000090961265 180076105 /nfs/dbraw/zinc/07/61/05/180076105.db2.gz KNIZPMAQNOFAMW-ZDUSSCGKSA-N 0 3 270.332 2.198 10 0 CEAEHN CCNCc1cccn1CC(=O)Nc1ccccc1OC ZINC000090995874 180082972 /nfs/dbraw/zinc/08/29/72/180082972.db2.gz DAZOBJBNXOJKKI-UHFFFAOYSA-N 0 3 287.363 2.245 10 0 CEAEHN CCC(CC)NC(=O)Cn1cccc1CNC1CC1 ZINC000091001350 180083277 /nfs/dbraw/zinc/08/32/77/180083277.db2.gz BPAGNWSVIDDSRM-UHFFFAOYSA-N 0 3 263.385 2.045 10 0 CEAEHN CCn1c(C[C@H]2CSCCN2)nc2cc(F)ccc21 ZINC000091128527 180100175 /nfs/dbraw/zinc/10/01/75/180100175.db2.gz KBFHSCNOYGRNKK-NSHDSACASA-N 0 3 279.384 2.443 10 0 CEAEHN Cc1nn(C(C)C)c(C)c1NC(=O)C[C@H]1CSCCN1 ZINC000091135536 180105188 /nfs/dbraw/zinc/10/51/88/180105188.db2.gz IUUFWAOAMPEQHZ-LBPRGKRZSA-N 0 3 296.440 2.114 10 0 CEAEHN c1ccc2c(c1)CCCCN2CC[C@H]1CNCCO1 ZINC000091314344 180133713 /nfs/dbraw/zinc/13/37/13/180133713.db2.gz AZGHBMYPPRXCCJ-HNNXBMFYSA-N 0 3 260.381 2.208 10 0 CEAEHN CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1)c1cccnc1 ZINC000091361452 180141529 /nfs/dbraw/zinc/14/15/29/180141529.db2.gz DRLDIILZMJTBGZ-SNPRPXQTSA-N 0 3 273.380 2.355 10 0 CEAEHN CC(C)CN1C(=O)CCC[C@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275610 180118510 /nfs/dbraw/zinc/11/85/10/180118510.db2.gz XVUKBLCNQYDELI-BBRMVZONSA-N 0 3 290.411 2.255 10 0 CEAEHN c1ncn(C2CC2)c1CN1CCNCc2ccccc21 ZINC000091277027 180119918 /nfs/dbraw/zinc/11/99/18/180119918.db2.gz AKERGQYZQWHDIK-UHFFFAOYSA-N 0 3 268.364 2.328 10 0 CEAEHN CC(C)[C@@H](C)N(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276267 180120298 /nfs/dbraw/zinc/12/02/98/180120298.db2.gz BHFIOCFWYFPBHT-YPMHNXCESA-N 0 3 250.390 2.194 10 0 CEAEHN O=C(C[C@@H]1CNCCO1)Nc1cccc(Cl)c1Cl ZINC000091299252 180125614 /nfs/dbraw/zinc/12/56/14/180125614.db2.gz OVUAOPVDCCUTRF-MRVPVSSYSA-N 0 3 289.162 2.310 10 0 CEAEHN Cc1nn(-c2ccccc2)c(C)c1CNC1CC(O)C1 ZINC000091430524 180152833 /nfs/dbraw/zinc/15/28/33/180152833.db2.gz DFOFBECXZVESHV-UHFFFAOYSA-N 0 3 271.364 2.102 10 0 CEAEHN CC(=O)c1sc(N2CCC[C@@H](N(C)C)C2)nc1C ZINC000091432972 180153720 /nfs/dbraw/zinc/15/37/20/180153720.db2.gz HNUNEFAGTBGNSS-LLVKDONJSA-N 0 3 267.398 2.185 10 0 CEAEHN CN(C)[C@H]1CCCN(c2nc3c(s2)C(=O)CCC3)C1 ZINC000091432397 180153890 /nfs/dbraw/zinc/15/38/90/180153890.db2.gz RQFPOZRGCMKOJT-JTQLQIEISA-N 0 3 279.409 2.193 10 0 CEAEHN CO[C@H]1CCC[C@@H](Oc2cncc(CNC(C)C)n2)C1 ZINC000091435421 180154461 /nfs/dbraw/zinc/15/44/61/180154461.db2.gz GBGROLFAGAKWNO-UONOGXRCSA-N 0 3 279.384 2.311 10 0 CEAEHN CCCNc1cccc(C(=O)N2CCC[C@H](N(C)C)C2)n1 ZINC000091449378 180157469 /nfs/dbraw/zinc/15/74/69/180157469.db2.gz RXZHVWXXKXLJJJ-ZDUSSCGKSA-N 0 3 290.411 2.070 10 0 CEAEHN Cc1ccc(C(F)(F)F)cc1NC[C@@H](O)CN(C)C ZINC000091479610 180166734 /nfs/dbraw/zinc/16/67/34/180166734.db2.gz IUKHIHSALJWLLE-LLVKDONJSA-N 0 3 276.302 2.348 10 0 CEAEHN CN(Cc1ccc2ccccc2n1)CC1CC(O)C1 ZINC000091489122 180168658 /nfs/dbraw/zinc/16/86/58/180168658.db2.gz FDLCVVZZFBDAJP-UHFFFAOYSA-N 0 3 256.349 2.438 10 0 CEAEHN CN(Cc1cc2c(c(Cl)c1)OCO2)CC1CC(O)C1 ZINC000091498952 180174065 /nfs/dbraw/zinc/17/40/65/180174065.db2.gz AVBAUDPJRJNEBX-UHFFFAOYSA-N 0 3 283.755 2.271 10 0 CEAEHN CN(C)[C@H]1CCCN(CC(=O)c2ccc3c(c2)CCC3)C1 ZINC000091394272 180146111 /nfs/dbraw/zinc/14/61/11/180146111.db2.gz VWPIOGCUPLLJHH-KRWDZBQOSA-N 0 3 286.419 2.384 10 0 CEAEHN CC[C@](C)([C@H](O)CCc1ccccc1)N1CCOCC1 ZINC000091610950 180205403 /nfs/dbraw/zinc/20/54/03/180205403.db2.gz UVLYZKJPVPQXTC-IAGOWNOFSA-N 0 3 277.408 2.481 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2cc(F)ccc2F)C1 ZINC000105174216 186044878 /nfs/dbraw/zinc/04/48/78/186044878.db2.gz AVPCTNBCZJJOBW-ZDUSSCGKSA-N 0 3 297.349 2.248 10 0 CEAEHN CCCN[C@H]1CCN(c2cc(C)cc(F)c2)C1=O ZINC000091514605 180177096 /nfs/dbraw/zinc/17/70/96/180177096.db2.gz BVYAQKOEQYENPF-ZDUSSCGKSA-N 0 3 250.317 2.239 10 0 CEAEHN CCCn1cc([C@H](NCC)C(C)(C)N(C)C)cn1 ZINC000091529176 180180908 /nfs/dbraw/zinc/18/09/08/180180908.db2.gz XGZDXMQIWORLKJ-ZDUSSCGKSA-N 0 3 252.406 2.284 10 0 CEAEHN CC(C)([C@@H](N)c1cc(Cl)cnc1N)N1CCCC1 ZINC000091533672 180181428 /nfs/dbraw/zinc/18/14/28/180181428.db2.gz DUZHSDIKYAHOCW-NSHDSACASA-N 0 3 268.792 2.191 10 0 CEAEHN O=C(C1CCOCC1)C1(N2CCCC2)CCCC1 ZINC000091640016 180212025 /nfs/dbraw/zinc/21/20/25/180212025.db2.gz HHOGUMWWVARHPJ-UHFFFAOYSA-N 0 3 251.370 2.391 10 0 CEAEHN Cc1cc(CC(=O)C2(N3CCCC3)CCCC2)n(C)n1 ZINC000091639965 180212398 /nfs/dbraw/zinc/21/23/98/180212398.db2.gz SPIMPIAIEPHIRC-UHFFFAOYSA-N 0 3 275.396 2.249 10 0 CEAEHN CC(C)CC[C@@H](O)C1(N2CCOCC2)CCCC1 ZINC000091642588 180213891 /nfs/dbraw/zinc/21/38/91/180213891.db2.gz YRIRVMDNYYJKIA-CQSZACIVSA-N 0 3 255.402 2.429 10 0 CEAEHN C[C@H]1CCC[C@](C(=O)C2CCOCC2)(N(C)C)C1 ZINC000091650037 180216669 /nfs/dbraw/zinc/21/66/69/180216669.db2.gz AODVVRUCJNODJF-WFASDCNBSA-N 0 3 253.386 2.493 10 0 CEAEHN C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1c(F)cccc1F ZINC000091662320 180220154 /nfs/dbraw/zinc/22/01/54/180220154.db2.gz JOEITTKJMWLXDT-XQQFMLRXSA-N 0 3 296.361 2.479 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1F)[C@@H]1CN(C)CCO1 ZINC000091718718 180233179 /nfs/dbraw/zinc/23/31/79/180233179.db2.gz GEEYMPAQNNUQQB-GJZGRUSLSA-N 0 3 266.360 2.115 10 0 CEAEHN CCCN[C@H](c1ccsc1)[C@@H]1CN(C)CCO1 ZINC000091718971 180233262 /nfs/dbraw/zinc/23/32/62/180233262.db2.gz WRPVHMUXSGQFCS-QWHCGFSZSA-N 0 3 254.399 2.119 10 0 CEAEHN CCN[C@H](c1ccc(OCC)cc1)[C@H]1CN(C)CCO1 ZINC000091718409 180233324 /nfs/dbraw/zinc/23/33/24/180233324.db2.gz PQPCNNXCLJMQIN-HZPDHXFCSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@@H](c1cc(C)cc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718232 180233383 /nfs/dbraw/zinc/23/33/83/180233383.db2.gz TZTXYGWAWPPCFZ-CVEARBPZSA-N 0 3 262.397 2.285 10 0 CEAEHN CCN[C@H](c1cncc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718899 180233405 /nfs/dbraw/zinc/23/34/05/180233405.db2.gz VYOAUZZVJRMOPO-DLBZAZTESA-N 0 3 285.391 2.216 10 0 CEAEHN CCN[C@@H](c1cc(F)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718756 180233680 /nfs/dbraw/zinc/23/36/80/180233680.db2.gz NPKXCEQAWGPVML-CABCVRRESA-N 0 3 266.360 2.115 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1F)[C@@H]1CN(C)CCO1 ZINC000091718982 180233804 /nfs/dbraw/zinc/23/38/04/180233804.db2.gz PZNGWMKODIIVAU-GJZGRUSLSA-N 0 3 284.350 2.336 10 0 CEAEHN CCN[C@H](c1cncc2ccccc21)[C@H]1CN(C)CCO1 ZINC000091718901 180233806 /nfs/dbraw/zinc/23/38/06/180233806.db2.gz VYOAUZZVJRMOPO-IAGOWNOFSA-N 0 3 285.391 2.216 10 0 CEAEHN CN[C@H](c1cc(C)ccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721299 180237588 /nfs/dbraw/zinc/23/75/88/180237588.db2.gz SRGDNMSPRJLSRQ-DJIMGWMZSA-N 0 3 274.408 2.427 10 0 CEAEHN CCOc1ccccc1[C@H](NC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721398 180238566 /nfs/dbraw/zinc/23/85/66/180238566.db2.gz XOHPEXJUNGNECL-XYPHTWIQSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721807 180240010 /nfs/dbraw/zinc/24/00/10/180240010.db2.gz LNYBCKHJKXRKOT-DJIMGWMZSA-N 0 3 290.407 2.209 10 0 CEAEHN Cc1nc(CN(C)C)nc(C)c1CNC(C)(C)C ZINC000091723732 180241312 /nfs/dbraw/zinc/24/13/12/180241312.db2.gz UAGUZQANABHXRL-UHFFFAOYSA-N 0 3 250.390 2.043 10 0 CEAEHN CSc1ccc(CNCCc2nc(C)no2)cc1 ZINC000105470249 186059422 /nfs/dbraw/zinc/05/94/22/186059422.db2.gz CZXZDHOTUXPYJM-UHFFFAOYSA-N 0 3 263.366 2.432 10 0 CEAEHN C[C@@H](N)c1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092054404 180313655 /nfs/dbraw/zinc/31/36/55/180313655.db2.gz IUROUQMIUBUNEH-PWSUYJOCSA-N 0 3 284.787 2.069 10 0 CEAEHN C[C@H]1CCCN(C(=O)NCc2ccccc2CN)C1 ZINC000091990855 180299993 /nfs/dbraw/zinc/29/99/93/180299993.db2.gz CPPGBLFNNWXCPU-LBPRGKRZSA-N 0 3 261.369 2.087 10 0 CEAEHN CNCc1nc(C)ccc1OCCc1ccncc1 ZINC000091994342 180301583 /nfs/dbraw/zinc/30/15/83/180301583.db2.gz OZQOUPGBYMQXMQ-UHFFFAOYSA-N 0 3 257.337 2.126 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1ccc(C)nc1CNCC(C)C ZINC000091996419 180301750 /nfs/dbraw/zinc/30/17/50/180301750.db2.gz AUBUSOZEHAYCKH-ZDUSSCGKSA-N 0 3 294.395 2.466 10 0 CEAEHN COCCOc1ccc(C)nc1CNCC(C)C ZINC000091996358 180302136 /nfs/dbraw/zinc/30/21/36/180302136.db2.gz XOMFQCFUAZBHFF-UHFFFAOYSA-N 0 3 252.358 2.161 10 0 CEAEHN CCCN(Cc1nc(C)ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC000091996132 180302204 /nfs/dbraw/zinc/30/22/04/180302204.db2.gz MRLZFYFBEGITBJ-ZDUSSCGKSA-N 0 3 263.385 2.060 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1ccc(C)nc1CNCC(C)C ZINC000091996354 180302239 /nfs/dbraw/zinc/30/22/39/180302239.db2.gz TVPYPNQGZMINDL-CYBMUJFWSA-N 0 3 293.411 2.039 10 0 CEAEHN CCC(C)(C)N(C)S(=O)(=O)c1ccc(CN)cc1F ZINC000092116211 180328405 /nfs/dbraw/zinc/32/84/05/180328405.db2.gz ULJJVPUEKMGMQU-UHFFFAOYSA-N 0 3 288.388 2.094 10 0 CEAEHN CCNCc1nc(CN2C[C@@H](C)[C@H](C)C2)cs1 ZINC000092089350 180321720 /nfs/dbraw/zinc/32/17/20/180321720.db2.gz HDBLOJAYNZVBPM-GHMZBOCLSA-N 0 3 253.415 2.340 10 0 CEAEHN CC[C@H](N)c1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092091254 180321957 /nfs/dbraw/zinc/32/19/57/180321957.db2.gz XWPPTJHROSEVSK-ZOWXZIJZSA-N 0 3 296.436 2.373 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000105872226 186080663 /nfs/dbraw/zinc/08/06/63/186080663.db2.gz UXCAVQBUGYKBKV-MFKMUULPSA-N 0 3 260.316 2.083 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239511 180350750 /nfs/dbraw/zinc/35/07/50/180350750.db2.gz JIKYLLDDKHKINS-NQBHXWOUSA-N 0 3 276.405 2.085 10 0 CEAEHN CNCc1cn(C[C@H]2COc3ccccc32)nc1C ZINC000092306685 180360368 /nfs/dbraw/zinc/36/03/68/180360368.db2.gz YFFJXAFCYUDMKS-ZDUSSCGKSA-N 0 3 257.337 2.087 10 0 CEAEHN CC(C)(N)c1cn(C[C@H]2Cc3ccccc3S2)nn1 ZINC000092270308 180355802 /nfs/dbraw/zinc/35/58/02/180355802.db2.gz YCDBMZOXVWXMTN-LLVKDONJSA-N 0 3 274.393 2.189 10 0 CEAEHN Fc1ccccc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000105884491 186082625 /nfs/dbraw/zinc/08/26/25/186082625.db2.gz KWXWWMGLUOXWEM-ZDUSSCGKSA-N 0 3 274.343 2.329 10 0 CEAEHN CC[C@@H](c1ccccc1)N1CCO[C@H](CN(C)C)C1 ZINC000105924492 186090895 /nfs/dbraw/zinc/09/08/95/186090895.db2.gz IXXLOUPXPPLRHR-CVEARBPZSA-N 0 3 262.397 2.400 10 0 CEAEHN CCOC(=O)CCN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922266 186091296 /nfs/dbraw/zinc/09/12/96/186091296.db2.gz STINDBLKGJEPFF-ZDUSSCGKSA-N 0 3 279.384 2.127 10 0 CEAEHN Cc1noc(C)c1CN1CCN[C@H](c2ccccc2)C1 ZINC000092342670 180366659 /nfs/dbraw/zinc/36/66/59/180366659.db2.gz MDZFUTKSVSISCA-INIZCTEOSA-N 0 3 271.364 2.438 10 0 CEAEHN COc1ccc2c(c1)[C@H](O)[C@H](N1CCCO[C@@H](C)C1)CC2 ZINC000092387923 180374436 /nfs/dbraw/zinc/37/44/36/180374436.db2.gz IRIUBICSNIBQNB-VUCTXSBTSA-N 0 3 291.391 2.154 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](Sc1nnc(C)o1)CC2 ZINC000092389890 180375085 /nfs/dbraw/zinc/37/50/85/180375085.db2.gz DLOJJQKHVBPIFI-OLZOCXBDSA-N 0 3 291.376 2.494 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nc[nH]n1 ZINC000092389667 180375192 /nfs/dbraw/zinc/37/51/92/180375192.db2.gz GYLSXKYEFABFMN-STQMWFEESA-N 0 3 290.392 2.181 10 0 CEAEHN COc1ccc2c(c1)[C@H](N[C@H](CO)C(C)C)CCO2 ZINC000092393264 180376223 /nfs/dbraw/zinc/37/62/23/180376223.db2.gz OIBNPQDQKHITAQ-ZIAGYGMSSA-N 0 3 265.353 2.125 10 0 CEAEHN CCCNc1ccnc(CN2CCCC[C@H]2C(=O)NC)c1 ZINC000092418602 180380905 /nfs/dbraw/zinc/38/09/05/180380905.db2.gz BRVGNFCOGRNCQR-HNNXBMFYSA-N 0 3 290.411 2.004 10 0 CEAEHN CCC[C@@H](CC)N[C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000106534166 186125686 /nfs/dbraw/zinc/12/56/86/186125686.db2.gz YNEVYKMFHRXIAL-TUAOUCFPSA-N 0 3 254.374 2.081 10 0 CEAEHN CNc1ccnc(Cn2ccc(=O)c3ccccc32)c1 ZINC000092419750 180382342 /nfs/dbraw/zinc/38/23/42/180382342.db2.gz PUTGTZBHPQDTSZ-UHFFFAOYSA-N 0 3 265.316 2.487 10 0 CEAEHN CNc1ccnc(CSc2nnc3ccccn32)c1 ZINC000092420989 180382405 /nfs/dbraw/zinc/38/24/05/180382405.db2.gz LWADIKXVXXWQCU-UHFFFAOYSA-N 0 3 271.349 2.458 10 0 CEAEHN COCCN(C1CC1)[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092385745 180373489 /nfs/dbraw/zinc/37/34/89/180373489.db2.gz ROHDQWBZHCNHJC-SJORKVTESA-N 0 3 290.407 2.121 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N[C@H](C)CS(C)(=O)=O)CCC2 ZINC000092384230 180373735 /nfs/dbraw/zinc/37/37/35/180373735.db2.gz AXBMHSOJQJSSOD-ABAIWWIYSA-N 0 3 297.420 2.095 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](n1cc(C)cn1)CC2 ZINC000092386106 180374114 /nfs/dbraw/zinc/37/41/14/180374114.db2.gz PSHXFHYYYSUBAG-CABCVRRESA-N 0 3 257.337 2.387 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](n1ccc(C)n1)CC2 ZINC000092386193 180374122 /nfs/dbraw/zinc/37/41/22/180374122.db2.gz TZPLNODCHMZFLF-CABCVRRESA-N 0 3 257.337 2.387 10 0 CEAEHN CCc1ccc([C@@H](C)NCc2cc(=O)n3nccc3[nH]2)cc1 ZINC000108850735 186232722 /nfs/dbraw/zinc/23/27/22/186232722.db2.gz STLIEZNXAKBGCE-GFCCVEGCSA-N 0 3 296.374 2.436 10 0 CEAEHN CC(C)Nc1ccccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000110417948 186295663 /nfs/dbraw/zinc/29/56/63/186295663.db2.gz RXHXAOVYMYDGCX-CYBMUJFWSA-N 0 3 275.396 2.283 10 0 CEAEHN CC(C)(C)NCc1occc1CO[C@@H]1CCOC1 ZINC000110532901 186301506 /nfs/dbraw/zinc/30/15/06/186301506.db2.gz OGDRQAIPDZNIHZ-GFCCVEGCSA-N 0 3 253.342 2.473 10 0 CEAEHN CCOc1cc(NCCN(C)C2CC2)c(N)cc1F ZINC000110634643 186307503 /nfs/dbraw/zinc/30/75/03/186307503.db2.gz YZJDWBQUSZPHGT-UHFFFAOYSA-N 0 3 267.348 2.313 10 0 CEAEHN COC(=O)[C@H](C(C)C)n1c(N)nc2cc(F)c(OC)cc21 ZINC000110629925 186307991 /nfs/dbraw/zinc/30/79/91/186307991.db2.gz FHBCQXMAJKMMOV-LBPRGKRZSA-N 0 3 295.314 2.136 10 0 CEAEHN CCOC[C@@H](C)n1c(N)nc2cc(F)c(OC)cc21 ZINC000110629965 186307999 /nfs/dbraw/zinc/30/79/99/186307999.db2.gz WVCYJYCRCUYHIM-MRVPVSSYSA-N 0 3 267.304 2.364 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@@H](C)Cn1ccnc1 ZINC000110629854 186308093 /nfs/dbraw/zinc/30/80/93/186308093.db2.gz BDNBSKHPDWDHFN-VIFPVBQESA-N 0 3 289.314 2.224 10 0 CEAEHN CC(C)[NH2+][C@](C)(CCN(C)CC1CCCC1)C(=O)[O-] ZINC000110841077 186329088 /nfs/dbraw/zinc/32/90/88/186329088.db2.gz GEVZDQZSUOCOAL-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@](C)(CC[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110841077 186329090 /nfs/dbraw/zinc/32/90/90/186329090.db2.gz GEVZDQZSUOCOAL-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@](C)(CC[N@@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110841077 186329092 /nfs/dbraw/zinc/32/90/92/186329092.db2.gz GEVZDQZSUOCOAL-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1O[C@@H](C)C(=O)OC ZINC000110960301 186336358 /nfs/dbraw/zinc/33/63/58/186336358.db2.gz ZXSHNESLXHQCJG-MNOVXSKESA-N 0 3 251.326 2.216 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OC[C@H]1CNC(=O)O1 ZINC000110960807 186337837 /nfs/dbraw/zinc/33/78/37/186337837.db2.gz YNOSAQHZZCKBQV-VXGBXAGGSA-N 0 3 278.352 2.153 10 0 CEAEHN Cc1ccc([C@H](CN)N2CCN(C)C(C)(C)C2)s1 ZINC000110704949 186314492 /nfs/dbraw/zinc/31/44/92/186314492.db2.gz OBQQSZLSJGXMJY-LBPRGKRZSA-N 0 3 267.442 2.082 10 0 CEAEHN CC[C@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2O)CCN1C ZINC000110736197 186317332 /nfs/dbraw/zinc/31/73/32/186317332.db2.gz JCQOGDHRRNOYFU-JQHSSLGASA-N 0 3 288.435 2.451 10 0 CEAEHN Cc1cc(N[C@@H]2CCC(=O)NC2)c2ccccc2n1 ZINC000111021846 186345417 /nfs/dbraw/zinc/34/54/17/186345417.db2.gz RUJJSTISVAQYFH-LLVKDONJSA-N 0 3 255.321 2.234 10 0 CEAEHN NC[C@@H](Cc1cccc(F)c1F)C(=O)N1CCCCC1 ZINC000111037559 186346791 /nfs/dbraw/zinc/34/67/91/186346791.db2.gz HSZGGTKEVNPUAV-GFCCVEGCSA-N 0 3 282.334 2.095 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2cccc(F)c2F)CCO1 ZINC000111039269 186346916 /nfs/dbraw/zinc/34/69/16/186346916.db2.gz WJYZMMDKSPEVLH-MFKMUULPSA-N 0 3 270.323 2.075 10 0 CEAEHN CCCNc1ncc(C(=O)N(C)CCN(C)C)cc1Cl ZINC000111151659 186360741 /nfs/dbraw/zinc/36/07/41/186360741.db2.gz ZJNNLFPOCLUMJR-UHFFFAOYSA-N 0 3 298.818 2.191 10 0 CEAEHN CC(C)C[C@H](N)C(=O)N(C)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111088886 186351641 /nfs/dbraw/zinc/35/16/41/186351641.db2.gz GILXPWOHZGNQCF-DGAVXFQQSA-N 0 3 252.402 2.254 10 0 CEAEHN CCOCCN(CC)c1cnc(C(C)C)nc1CNC ZINC000111123570 186355656 /nfs/dbraw/zinc/35/56/56/186355656.db2.gz BGOPIURMWBBCHR-UHFFFAOYSA-N 0 3 280.416 2.182 10 0 CEAEHN NCc1ccc(C(=O)Nc2cc(F)ccc2F)nc1 ZINC000111281240 186387711 /nfs/dbraw/zinc/38/77/11/186387711.db2.gz MZCDXVSXWBPIEX-UHFFFAOYSA-N 0 3 263.247 2.071 10 0 CEAEHN NCc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)nc1 ZINC000111281623 186388456 /nfs/dbraw/zinc/38/84/56/186388456.db2.gz YDSRLPLDSGYDLC-DZGCQCFKSA-N 0 3 273.380 2.335 10 0 CEAEHN NCc1ccc(C(=O)N2CCCc3ccccc3C2)nc1 ZINC000111282491 186390018 /nfs/dbraw/zinc/39/00/18/186390018.db2.gz CPFFDMQFUXNNMG-UHFFFAOYSA-N 0 3 281.359 2.129 10 0 CEAEHN Cc1cc2ncc(CN[C@@]3(CO)CCC[C@@H](C)C3)cn2n1 ZINC000111477523 186422020 /nfs/dbraw/zinc/42/20/20/186422020.db2.gz FMONATJINUERCG-WBMJQRKESA-N 0 3 288.395 2.069 10 0 CEAEHN CCC[C@H](O)CN[C@@H](C)c1c(C)nn(CC)c1C ZINC000131105675 366019718 /nfs/dbraw/zinc/01/97/18/366019718.db2.gz NONBZGRJKAYBTN-GWCFXTLKSA-N 0 3 253.390 2.331 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(Cl)s2)C1 ZINC000113266883 186566049 /nfs/dbraw/zinc/56/60/49/186566049.db2.gz YEXBLQXHIMMWQY-SNVBAGLBSA-N 0 3 274.817 2.212 10 0 CEAEHN O=C(c1ccc2cc[nH]c2c1)N1CCN2CCC[C@@H]2C1 ZINC000070165651 363040862 /nfs/dbraw/zinc/04/08/62/363040862.db2.gz BIAIDKMLSXKKRH-CQSZACIVSA-N 0 3 269.348 2.088 10 0 CEAEHN Cc1ccc(-c2cc3c(N4CCNCC4)nccn3n2)cc1 ZINC000070459150 363087293 /nfs/dbraw/zinc/08/72/93/363087293.db2.gz FYWDNVUVNVPOTI-UHFFFAOYSA-N 0 3 293.374 2.114 10 0 CEAEHN CCOC(CN1CCC[C@@H](n2ccnc2CC)C1)OCC ZINC000124207804 187126687 /nfs/dbraw/zinc/12/66/87/187126687.db2.gz LGUCSZVPHVHEAR-CQSZACIVSA-N 0 3 295.427 2.482 10 0 CEAEHN CC[C@](C)(O)CN1CCN(CCc2ccccc2)CC1 ZINC000123256012 187080592 /nfs/dbraw/zinc/08/05/92/187080592.db2.gz MMGAKMCDXAPOKU-KRWDZBQOSA-N 0 3 276.424 2.008 10 0 CEAEHN COc1ccc([C@@H](C)NC[C@@H](C)N2CCOCC2)c(F)c1 ZINC000123254214 187080968 /nfs/dbraw/zinc/08/09/68/187080968.db2.gz UWTNSSCQQUFOIU-CHWSQXEVSA-N 0 3 296.386 2.206 10 0 CEAEHN CCc1ccc([C@H](C)NC[C@@H](C)N2CCOCC2)o1 ZINC000123569089 187098977 /nfs/dbraw/zinc/09/89/77/187098977.db2.gz MZKNGCMLTMYHDP-OLZOCXBDSA-N 0 3 266.385 2.213 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249109715 539863360 /nfs/dbraw/zinc/86/33/60/539863360.db2.gz MSZBBMMGRVJINQ-SOUVJXGZSA-N 0 3 290.407 2.329 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)CNc1ccccc1)N(C)C ZINC000153975526 188114954 /nfs/dbraw/zinc/11/49/54/188114954.db2.gz XCBLYAFOSAIBMU-ZFWWWQNUSA-N 0 3 277.412 2.334 10 0 CEAEHN COCOc1ccc(OC)cc1CN[C@@H](C)[C@H]1CCCO1 ZINC000154479612 188144864 /nfs/dbraw/zinc/14/48/64/188144864.db2.gz MVWJTJMCKRPOAI-SWLSCSKDSA-N 0 3 295.379 2.335 10 0 CEAEHN CCC[C@@H](C(=O)N1CCO[C@H](c2ccsc2)C1)N(C)C ZINC000154273046 188132319 /nfs/dbraw/zinc/13/23/19/188132319.db2.gz MPRNKEKBWQOCJT-KBPBESRZSA-N 0 3 296.436 2.378 10 0 CEAEHN CC[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000154938841 188172073 /nfs/dbraw/zinc/17/20/73/188172073.db2.gz YEEXEPKJSJMXSZ-KGLIPLIRSA-N 0 3 274.343 2.473 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)COc2ccccc2F)C1 ZINC000155332355 188199332 /nfs/dbraw/zinc/19/93/32/188199332.db2.gz VDSINUNPXWGLRR-OCCSQVGLSA-N 0 3 294.370 2.049 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC000155754939 188225945 /nfs/dbraw/zinc/22/59/45/188225945.db2.gz ZDMREDANNLSBGZ-YGRLFVJLSA-N 0 3 282.334 2.423 10 0 CEAEHN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)N)o1 ZINC000157356183 188311705 /nfs/dbraw/zinc/31/17/05/188311705.db2.gz CFQDOOOYXDLKHL-PWSUYJOCSA-N 0 3 250.342 2.243 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1Cc1ccon1 ZINC000337307832 366137554 /nfs/dbraw/zinc/13/75/54/366137554.db2.gz UTVLBJQUUFHMGI-HZSPNIEDSA-N 0 3 250.342 2.190 10 0 CEAEHN N[C@H]1C[C@H](C(F)(F)F)S(=O)(=O)c2cc(Cl)ccc21 ZINC000675060138 540080001 /nfs/dbraw/zinc/08/00/01/540080001.db2.gz SIVLJHBXXYVLTJ-IONNQARKSA-N 0 3 299.701 2.448 10 0 CEAEHN NCc1cc2cc(Br)cc(F)c2[nH]c1=O ZINC000675069235 540109011 /nfs/dbraw/zinc/10/90/11/540109011.db2.gz DEDKRSAXFWOEMU-UHFFFAOYSA-N 0 3 271.089 2.301 10 0 CEAEHN C[C@H]1OCC[C@@]1(N)c1cscc1Br ZINC000575560943 366295960 /nfs/dbraw/zinc/29/59/60/366295960.db2.gz LYZKWNIZYMSDFR-MUWHJKNJSA-N 0 3 262.172 2.473 10 0 CEAEHN CCCN1CCC(=O)C12CCN(CC(C)C)CC2 ZINC000712082504 538736794 /nfs/dbraw/zinc/73/67/94/538736794.db2.gz SYXFKYYOXFZDSJ-UHFFFAOYSA-N 0 3 252.402 2.162 10 0 CEAEHN CC(C)(C)c1nn2c(nccc2CN)c1Br ZINC000232516898 542255051 /nfs/dbraw/zinc/25/50/51/542255051.db2.gz OFBWPIXCQANOMU-UHFFFAOYSA-N 0 3 283.173 2.248 10 0 CEAEHN NC(=O)C[C@H](N[C@@H]1CCN(C2CC2)C1=O)C1CCCCC1 ZINC000329439295 202335764 /nfs/dbraw/zinc/33/57/64/202335764.db2.gz MOGBNIRYSHONBI-KGLIPLIRSA-N 0 3 293.411 2.214 10 0 CEAEHN C[C@@H](NC[C@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000151271125 366635302 /nfs/dbraw/zinc/63/53/02/366635302.db2.gz QHZYRIFLHWIVDE-OCCSQVGLSA-N 0 3 298.377 2.462 10 0 CEAEHN CCc1ccc([C@H](C)NC[C@@H](O)CN2CCCCC2)o1 ZINC000151350056 366641576 /nfs/dbraw/zinc/64/15/76/366641576.db2.gz DLFIOUXKJAOLPH-UONOGXRCSA-N 0 3 280.412 2.339 10 0 CEAEHN CN(C)C[C@@H](NC(=O)C[C@@H]1CCCCO1)c1ccccc1 ZINC000151844938 366669205 /nfs/dbraw/zinc/66/92/05/366669205.db2.gz RDYRIXCXUJJIBX-JKSUJKDBSA-N 0 3 290.407 2.365 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCc1ccco1 ZINC000176963284 189017418 /nfs/dbraw/zinc/01/74/18/189017418.db2.gz JIUIRLFTQWEXFQ-ZDUSSCGKSA-N 0 3 264.369 2.155 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccnc1 ZINC000176982356 189019016 /nfs/dbraw/zinc/01/90/16/189019016.db2.gz KEZBOUPQSIZZMB-DZGCQCFKSA-N 0 3 275.396 2.128 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(COC)c1 ZINC000176987591 189019186 /nfs/dbraw/zinc/01/91/86/189019186.db2.gz GBOGGYPFBJPXKD-INIZCTEOSA-N 0 3 290.407 2.389 10 0 CEAEHN CC[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccc(OC)cc1 ZINC000180335046 189250673 /nfs/dbraw/zinc/25/06/73/189250673.db2.gz RKVDAHUFMVMBBE-ZBFHGGJFSA-N 0 3 290.407 2.351 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)CCC2 ZINC000180582495 189263802 /nfs/dbraw/zinc/26/38/02/189263802.db2.gz WYVMSELXHBIVOB-WBMJQRKESA-N 0 3 282.391 2.432 10 0 CEAEHN [NH3+]CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000011849307 361366535 /nfs/dbraw/zinc/36/65/35/361366535.db2.gz KIJGNJMYLQFJJW-UHFFFAOYSA-N 0 3 294.351 2.128 10 0 CEAEHN Cc1cccc(CN2C[C@@H]3CCCCN3C[C@@H]2C)n1 ZINC000083882224 363789767 /nfs/dbraw/zinc/78/97/67/363789767.db2.gz NAMMOCIQNAIJEN-HOCLYGCPSA-N 0 3 259.397 2.449 10 0 CEAEHN COC(=O)[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1 ZINC000013475000 361429217 /nfs/dbraw/zinc/42/92/17/361429217.db2.gz DXRLHHQCJXYHPB-NEPJUHHUSA-N 0 3 253.729 2.206 10 0 CEAEHN CC1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000019518148 361541818 /nfs/dbraw/zinc/54/18/18/361541818.db2.gz CMGNQCNWFXPKLB-PESDSKBTSA-N 0 3 260.381 2.251 10 0 CEAEHN N=C(N)Nc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000027560983 361655063 /nfs/dbraw/zinc/65/50/63/361655063.db2.gz PXPIXLVXGYQMFM-UHFFFAOYSA-N 0 3 255.277 2.211 10 0 CEAEHN CCOc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000027932526 361662418 /nfs/dbraw/zinc/66/24/18/361662418.db2.gz VIYWIIWKNGUECB-CQSZACIVSA-N 0 3 274.364 2.006 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccncc1Cl ZINC000092632250 364090226 /nfs/dbraw/zinc/09/02/26/364090226.db2.gz KFSFJJXNDNXCSH-LLVKDONJSA-N 0 3 281.787 2.291 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@@H](C)CCCO)c1C ZINC000094942434 364309677 /nfs/dbraw/zinc/30/96/77/364309677.db2.gz LNZACWCSQXPJSB-WDEREUQCSA-N 0 3 253.390 2.331 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(CCc2ccccn2)C1 ZINC000102949887 364619903 /nfs/dbraw/zinc/61/99/03/364619903.db2.gz NHUXIBSFUSEASP-AWEZNQCLSA-N 0 3 285.395 2.115 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+]CCOC2CCCC2)n1 ZINC000112716859 364834819 /nfs/dbraw/zinc/83/48/19/364834819.db2.gz JVFYOJKKDWSYIV-UHFFFAOYSA-N 0 3 250.342 2.144 10 0 CEAEHN CC(=O)Nc1cccc(CN2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116320763 365051633 /nfs/dbraw/zinc/05/16/33/365051633.db2.gz OWGMSFXBIJDIAR-OAHLLOKOSA-N 0 3 298.390 2.368 10 0 CEAEHN CC(C)OC[C@@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000116404437 365054132 /nfs/dbraw/zinc/05/41/32/365054132.db2.gz WXUUPSKZEUDRSC-QWHCGFSZSA-N 0 3 253.342 2.202 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCOC2CCCCCC2)C1 ZINC000118586127 365165774 /nfs/dbraw/zinc/16/57/74/365165774.db2.gz LWHNSAGYFRCKLY-AWEZNQCLSA-N 0 3 297.443 2.071 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000120089044 365371033 /nfs/dbraw/zinc/37/10/33/365371033.db2.gz PCIXBZLLCVJUOF-AGIUHOORSA-N 0 3 255.406 2.013 10 0 CEAEHN Cc1cc(C)n(C[C@H]2CN(C3CCCC3)CCO2)n1 ZINC000120140483 365378939 /nfs/dbraw/zinc/37/89/39/365378939.db2.gz KANBSXRRWWTVPI-OAHLLOKOSA-N 0 3 263.385 2.143 10 0 CEAEHN CC[C@@H](C)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000120499212 365432855 /nfs/dbraw/zinc/43/28/55/365432855.db2.gz CFOMRZRUPUEBFN-NEPJUHHUSA-N 0 3 266.389 2.103 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccccc1OCC)N(C)C ZINC000161725565 367109007 /nfs/dbraw/zinc/10/90/07/367109007.db2.gz BHOXJSRAMWHEFH-AWEZNQCLSA-N 0 3 278.396 2.432 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000245547115 370837497 /nfs/dbraw/zinc/83/74/97/370837497.db2.gz XBRGQGWDERNABH-PMPSAXMXSA-N 0 3 268.445 2.201 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)Cc1c(C)noc1C)N(C)C ZINC000162673646 367177699 /nfs/dbraw/zinc/17/76/99/367177699.db2.gz BDVJFPVRWDWQJZ-HZMBPMFUSA-N 0 3 281.400 2.069 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)CCSCC)N(C)C ZINC000162358663 367154374 /nfs/dbraw/zinc/15/43/74/367154374.db2.gz QQGVYJQSFPKGMM-VXGBXAGGSA-N 0 3 260.447 2.365 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000245458751 370824146 /nfs/dbraw/zinc/82/41/46/370824146.db2.gz DARVRGGEUSTTSZ-UONOGXRCSA-N 0 3 283.460 2.096 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cccc(C3CC3)c2)C1 ZINC000165901645 367314637 /nfs/dbraw/zinc/31/46/37/367314637.db2.gz OUFKFJMQEARONC-KRWDZBQOSA-N 0 3 274.408 2.374 10 0 CEAEHN CCc1ccccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171071394 367471665 /nfs/dbraw/zinc/47/16/65/367471665.db2.gz HFYONWKTYUPJCG-CYBMUJFWSA-N 0 3 261.369 2.417 10 0 CEAEHN CCOc1cc(F)ccc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000171078538 367472560 /nfs/dbraw/zinc/47/25/60/367472560.db2.gz OJNUUEVUGVZHSB-LBPRGKRZSA-N 0 3 295.358 2.392 10 0 CEAEHN Cc1cc(NC(=O)N2CC[C@H](N(C)C)C2)ccc1N(C)C ZINC000171076362 367473412 /nfs/dbraw/zinc/47/34/12/367473412.db2.gz VKNSHWVSSPFKRA-AWEZNQCLSA-N 0 3 290.411 2.229 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC[C@H](O)C(F)F)c1C ZINC000631697412 367489360 /nfs/dbraw/zinc/48/93/60/367489360.db2.gz LXVGLYYIEKONSC-KCJUWKMLSA-N 0 3 275.343 2.187 10 0 CEAEHN CCc1sc(C(=O)N2CC[C@H](N(C)C)C2)cc1C ZINC000170858815 367431973 /nfs/dbraw/zinc/43/19/73/367431973.db2.gz QWZLBOCNWAIVMU-NSHDSACASA-N 0 3 266.410 2.395 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000170857081 367432279 /nfs/dbraw/zinc/43/22/79/367432279.db2.gz XQXNMNIPLZFZBG-AWEZNQCLSA-N 0 3 280.799 2.435 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC000170868339 367435947 /nfs/dbraw/zinc/43/59/47/367435947.db2.gz PZGORAUPIHKEFO-LBPRGKRZSA-N 0 3 295.452 2.146 10 0 CEAEHN Cc1cc(F)ccc1CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245713034 370862312 /nfs/dbraw/zinc/86/23/12/370862312.db2.gz GIBUDWHDYJLRCR-PBHICJAKSA-N 0 3 292.398 2.287 10 0 CEAEHN CN(c1cccnn1)C1CCN([C@@H]2C=CCCC2)CC1 ZINC000171745991 367608885 /nfs/dbraw/zinc/60/88/85/367608885.db2.gz OBGFYDBNZJQLFV-OAHLLOKOSA-N 0 3 272.396 2.486 10 0 CEAEHN O=C(c1coc2ccccc12)N1CCN2CCC[C@@H]2C1 ZINC000172020188 367661617 /nfs/dbraw/zinc/66/16/17/367661617.db2.gz HHPHEQMEEBZBOT-GFCCVEGCSA-N 0 3 270.332 2.353 10 0 CEAEHN c1cnn(CC2CCN(CCc3cccnc3)CC2)c1 ZINC000172163038 367687853 /nfs/dbraw/zinc/68/78/53/367687853.db2.gz DPWYGRRFQZZOLG-UHFFFAOYSA-N 0 3 270.380 2.233 10 0 CEAEHN Cc1cc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1F ZINC000245756088 370869778 /nfs/dbraw/zinc/86/97/78/370869778.db2.gz OQVHPADMKMPIRJ-YOEHRIQHSA-N 0 3 292.398 2.287 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)CCO1 ZINC000172307226 367715208 /nfs/dbraw/zinc/71/52/08/367715208.db2.gz VUHJSHZGJHQZKV-CYBMUJFWSA-N 0 3 298.333 2.027 10 0 CEAEHN CC[C@@H]1CN(Cc2cc(F)ccc2C)CCN1C[C@H](C)O ZINC000245977714 370896175 /nfs/dbraw/zinc/89/61/75/370896175.db2.gz OYLFRWCTGFYWRC-WMLDXEAASA-N 0 3 294.414 2.411 10 0 CEAEHN CCC[C@](C)(N)C(=O)NCCCSCC(C)C ZINC000262590670 284004401 /nfs/dbraw/zinc/00/44/01/284004401.db2.gz UTLCTXCXOLNLLM-ZDUSSCGKSA-N 0 3 260.447 2.399 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCSCC1 ZINC000177528799 368269623 /nfs/dbraw/zinc/26/96/23/368269623.db2.gz YBQMGNLRCDNWDQ-ZDUSSCGKSA-N 0 3 285.457 2.008 10 0 CEAEHN CCCCCS(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1CC ZINC000181409795 368451451 /nfs/dbraw/zinc/45/14/51/368451451.db2.gz RMUZWGQWEPHGCY-UONOGXRCSA-N 0 3 288.457 2.065 10 0 CEAEHN CC[C@H](CSC)NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000181457940 368457534 /nfs/dbraw/zinc/45/75/34/368457534.db2.gz AJCPUBQKXDBVPF-OLZOCXBDSA-N 0 3 287.473 2.254 10 0 CEAEHN Cc1ccc(CCCN2CCO[C@@H](CN(C)C)C2)cc1 ZINC000181854019 368501572 /nfs/dbraw/zinc/50/15/72/368501572.db2.gz BMRBELHDZVUZQE-KRWDZBQOSA-N 0 3 276.424 2.190 10 0 CEAEHN CO[C@@H](C)CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000182144409 368529752 /nfs/dbraw/zinc/52/97/52/368529752.db2.gz UXPDKUZOUFGMMF-KBPBESRZSA-N 0 3 298.452 2.088 10 0 CEAEHN CCC1(C(=O)N2CCO[C@H](CN(C)C)C2)CCCCC1 ZINC000184117389 368672961 /nfs/dbraw/zinc/67/29/61/368672961.db2.gz BAMOGWJTULQRDZ-CQSZACIVSA-N 0 3 282.428 2.136 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N(C)CCN(C)C2CC2)o1 ZINC000185074143 368742842 /nfs/dbraw/zinc/74/28/42/368742842.db2.gz LNYXHRXBELWQHY-LBPRGKRZSA-N 0 3 279.384 2.385 10 0 CEAEHN CC(C)C[C@@H](C)OCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000246167203 370918678 /nfs/dbraw/zinc/91/86/78/370918678.db2.gz KIBWRQHODRBWHV-CABCVRRESA-N 0 3 282.428 2.134 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)C1(OC)CCCCC1 ZINC000185605800 368828984 /nfs/dbraw/zinc/82/89/84/368828984.db2.gz JJVCHZZPZUJLHT-AWEZNQCLSA-N 0 3 282.428 2.278 10 0 CEAEHN C/C=C/C[C@@H](CO)NCc1cnc2c(cnn2C(C)C)c1 ZINC000185815888 368866384 /nfs/dbraw/zinc/86/63/84/368866384.db2.gz QJOXQEQHEYTHDE-RGDDUWESSA-N 0 3 288.395 2.429 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2cccnc2)C12CCOCC2 ZINC000186198007 368936062 /nfs/dbraw/zinc/93/60/62/368936062.db2.gz JGUDEFFBXOQVQZ-HUUCEWRRSA-N 0 3 276.380 2.145 10 0 CEAEHN COc1ccc(CN(C)[C@H]2CCC[C@@H]2O)cc1OC ZINC000348545725 369081371 /nfs/dbraw/zinc/08/13/71/369081371.db2.gz LCKJULORDYAJRM-STQMWFEESA-N 0 3 265.353 2.049 10 0 CEAEHN CC(C)CCOCCN1CCN2CCCC[C@H]2C1 ZINC000246384992 370953739 /nfs/dbraw/zinc/95/37/39/370953739.db2.gz BLTHDXWHJANHFY-HNNXBMFYSA-N 0 3 254.418 2.219 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000191143097 369683670 /nfs/dbraw/zinc/68/36/70/369683670.db2.gz UECXMTHYQKOUCD-ARFHVFGLSA-N 0 3 294.439 2.278 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ncc(F)cc1F ZINC000192362280 369802984 /nfs/dbraw/zinc/80/29/84/369802984.db2.gz DAFRCKVKEIYCJR-VXGBXAGGSA-N 0 3 295.333 2.059 10 0 CEAEHN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCCN1 ZINC000156837546 284181079 /nfs/dbraw/zinc/18/10/79/284181079.db2.gz NWHPTOOTIGTZEK-VWYCJHECSA-N 0 3 278.318 2.366 10 0 CEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1ccnc(F)c1F ZINC000193606437 369961429 /nfs/dbraw/zinc/96/14/29/369961429.db2.gz ZSOGBISQCMKMHD-LLVKDONJSA-N 0 3 297.349 2.210 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1ccc(OC)cc1 ZINC000193248239 369911218 /nfs/dbraw/zinc/91/12/18/369911218.db2.gz ZKIZCBKJMQDUKT-HNNXBMFYSA-N 0 3 281.396 2.305 10 0 CEAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)c1ccccc1 ZINC000194516221 370045816 /nfs/dbraw/zinc/04/58/16/370045816.db2.gz XRCLRGLCDYUGJH-OAHLLOKOSA-N 0 3 288.391 2.106 10 0 CEAEHN C=Cn1cc(CN2CC[C@H](CNc3ccccn3)C2)cn1 ZINC000193854991 369985904 /nfs/dbraw/zinc/98/59/04/369985904.db2.gz MKOMEWKFTFKALS-CQSZACIVSA-N 0 3 283.379 2.313 10 0 CEAEHN CCN[C@@H](C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000637886367 370147157 /nfs/dbraw/zinc/14/71/57/370147157.db2.gz JUTUKAIWACZJQD-BDAKNGLRSA-N 0 3 256.296 2.140 10 0 CEAEHN C[C@@H](CNc1nnc(C(F)(F)F)s1)N(C)C1CC1 ZINC000220101184 370229201 /nfs/dbraw/zinc/22/92/01/370229201.db2.gz YPWSILNFVWOUJO-LURJTMIESA-N 0 3 280.319 2.452 10 0 CEAEHN CNc1cccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000638117485 370315364 /nfs/dbraw/zinc/31/53/64/370315364.db2.gz UZEYCZIXTXYYPD-IUODEOHRSA-N 0 3 273.380 2.037 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCN1CCCCC1 ZINC000247031516 371050171 /nfs/dbraw/zinc/05/01/71/371050171.db2.gz PIEVESYZXHHKAL-OAGGEKHMSA-N 0 3 294.439 2.278 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(N(C)C)cc1 ZINC000246957368 371037511 /nfs/dbraw/zinc/03/75/11/371037511.db2.gz DHOPGGGVETWERB-CJNGLKHVSA-N 0 3 287.407 2.061 10 0 CEAEHN c1cc(-c2nc(CN3CCN4CCC[C@H]4C3)no2)cs1 ZINC000247002272 371043895 /nfs/dbraw/zinc/04/38/95/371043895.db2.gz BNWYDFCFBSIKLA-LBPRGKRZSA-N 0 3 290.392 2.078 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccs1 ZINC000247081207 371061573 /nfs/dbraw/zinc/06/15/73/371061573.db2.gz ZJQKPWSVNPGEKM-NEPJUHHUSA-N 0 3 264.394 2.447 10 0 CEAEHN Cc1ccnc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000248465773 371198984 /nfs/dbraw/zinc/19/89/84/371198984.db2.gz ZWMBRKPWGUBNKS-CHWSQXEVSA-N 0 3 276.384 2.240 10 0 CEAEHN CCc1nnc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)n1C ZINC000248589938 371218537 /nfs/dbraw/zinc/21/85/37/371218537.db2.gz ZASVVUNYSBWSEG-IJLUTSLNSA-N 0 3 250.390 2.292 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000249760064 371359819 /nfs/dbraw/zinc/35/98/19/371359819.db2.gz KWZOLOKQLWOTHB-HUUCEWRRSA-N 0 3 287.407 2.110 10 0 CEAEHN CCc1cc2c(ncnc2N2C[C@H](C)NC[C@H]2C)s1 ZINC000250540803 371386778 /nfs/dbraw/zinc/38/67/78/371386778.db2.gz ZUONOFHNQUMULO-VHSXEESVSA-N 0 3 276.409 2.440 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000255423906 371586532 /nfs/dbraw/zinc/58/65/32/371586532.db2.gz XWXQIEWGGKWBRR-LZNQSLFOSA-N 0 3 295.386 2.411 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000261722162 371710942 /nfs/dbraw/zinc/71/09/42/371710942.db2.gz REJYISNUDNCVLZ-OAHLLOKOSA-N 0 3 275.396 2.150 10 0 CEAEHN Fc1ccc(N[C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261873129 371756732 /nfs/dbraw/zinc/75/67/32/371756732.db2.gz DIBQVSNTSDHQTL-RBSFLKMASA-N 0 3 264.344 2.395 10 0 CEAEHN CC(C)Cn1cc(N[C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cn1 ZINC000261952287 371782310 /nfs/dbraw/zinc/78/23/10/371782310.db2.gz ONKNBQRYRAUISI-XHSDSOJGSA-N 0 3 292.427 2.108 10 0 CEAEHN CCC[C@H](C)C[N@@H+]1CCC[C@H](N(C)CC(=O)[O-])CC1 ZINC000263520206 371939986 /nfs/dbraw/zinc/93/99/86/371939986.db2.gz QNBNJACQFIJSLO-KBPBESRZSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](C)C[N@H+]1CCC[C@H](N(C)CC(=O)[O-])CC1 ZINC000263520206 371939988 /nfs/dbraw/zinc/93/99/88/371939988.db2.gz QNBNJACQFIJSLO-KBPBESRZSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](C)CN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263520206 371939989 /nfs/dbraw/zinc/93/99/89/371939989.db2.gz QNBNJACQFIJSLO-KBPBESRZSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](C)CN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263520206 371939991 /nfs/dbraw/zinc/93/99/91/371939991.db2.gz QNBNJACQFIJSLO-KBPBESRZSA-N 0 3 270.417 2.294 10 0 CEAEHN CC(C)(C)c1ccc(NC(=O)[C@H]2CNCCOC2)cc1 ZINC000643615229 373222519 /nfs/dbraw/zinc/22/25/19/373222519.db2.gz YAEAOSWEYFSGJK-LBPRGKRZSA-N 0 3 276.380 2.159 10 0 CEAEHN Clc1ccc(-c2noc([C@H]3CNCCOC3)n2)cc1 ZINC000644511171 373503631 /nfs/dbraw/zinc/50/36/31/373503631.db2.gz CXJBBFFPOANCQE-JTQLQIEISA-N 0 3 279.727 2.093 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cc(Cl)cs1 ZINC000282528984 220235183 /nfs/dbraw/zinc/23/51/83/220235183.db2.gz YXCHWMGAOGIUNY-XVKPBYJWSA-N 0 3 258.774 2.158 10 0 CEAEHN CCN1CC[C@@H](N[C@@H](C)c2nc3ccccc3n2C)C1 ZINC000389268521 375300833 /nfs/dbraw/zinc/30/08/33/375300833.db2.gz QLDXUOGIUWJGAD-QWHCGFSZSA-N 0 3 272.396 2.318 10 0 CEAEHN COc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C)c(F)c1 ZINC000282391844 375472933 /nfs/dbraw/zinc/47/29/33/375472933.db2.gz RDHYRDPXNRJZSP-PKFCDNJMSA-N 0 3 280.343 2.152 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cnc(C(C)(C)C)s1 ZINC000282264344 375442475 /nfs/dbraw/zinc/44/24/75/375442475.db2.gz HGDWKAULCNOXFQ-KOLCDFICSA-N 0 3 281.425 2.197 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1ccccc1F ZINC000282264541 375444181 /nfs/dbraw/zinc/44/41/81/375444181.db2.gz HHUDACGZTGYMGL-CWSCBRNRSA-N 0 3 250.317 2.143 10 0 CEAEHN CCN(CC)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105850131 284571078 /nfs/dbraw/zinc/57/10/78/284571078.db2.gz RQRSTHZOKJGVHC-CQSZACIVSA-N 0 3 292.427 2.042 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccnc(N(C)C)n1 ZINC000309653332 376599831 /nfs/dbraw/zinc/59/98/31/376599831.db2.gz ASOMPRHKTOGXCO-AWEZNQCLSA-N 0 3 299.422 2.475 10 0 CEAEHN Cc1cccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c1C ZINC000060285742 542211821 /nfs/dbraw/zinc/21/18/21/542211821.db2.gz DHUXAVGOHSHLMJ-IAGOWNOFSA-N 0 3 274.408 2.339 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1c(C)noc1C ZINC000177001621 542243096 /nfs/dbraw/zinc/24/30/96/542243096.db2.gz ODMVVJWMYORQIQ-SMDDNHRTSA-N 0 3 293.411 2.338 10 0 CEAEHN CCN[C@H](Cc1ccc(CC)s1)C(OC)OC ZINC000093305278 184662128 /nfs/dbraw/zinc/66/21/28/184662128.db2.gz BCMKRNRCKXVCEX-GFCCVEGCSA-N 0 3 257.399 2.450 10 0 CEAEHN Cc1c(C(=O)N[C@H](CC(C)C)CN(C)C)ccn1C ZINC000195144697 542364958 /nfs/dbraw/zinc/36/49/58/542364958.db2.gz OVCFKHFTCXTBSC-CYBMUJFWSA-N 0 3 265.401 2.040 10 0 CEAEHN CCCCN(c1ccccc1)S(=O)(=O)[C@H]1CCCNC1 ZINC000081582630 177823972 /nfs/dbraw/zinc/82/39/72/177823972.db2.gz FXCVEWIUOFRDHT-HNNXBMFYSA-N 0 3 296.436 2.375 10 0 CEAEHN Cc1cccc(OCC[C@@H]2CCC[C@]2(N)C(N)=O)c1C ZINC000093624371 184697653 /nfs/dbraw/zinc/69/76/53/184697653.db2.gz FWXITBFKALJHEI-XJKSGUPXSA-N 0 3 276.380 2.055 10 0 CEAEHN CC[C@](C)(N)C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000094234468 184767682 /nfs/dbraw/zinc/76/76/82/184767682.db2.gz YUHVQXQCXOWJMM-DOMZBBRYSA-N 0 3 296.436 2.383 10 0 CEAEHN CCCC[C@H](C(=O)OC)C1(O)CCN(C(C)C)CC1 ZINC000094611786 184826341 /nfs/dbraw/zinc/82/63/41/184826341.db2.gz RVKLVQPXWGGKJL-CYBMUJFWSA-N 0 3 271.401 2.201 10 0 CEAEHN COC(=O)[C@H](CSCCN(C)C)c1ccccc1 ZINC000095019767 184916755 /nfs/dbraw/zinc/91/67/55/184916755.db2.gz UAYULFLIWLIUHF-CYBMUJFWSA-N 0 3 267.394 2.238 10 0 CEAEHN CNc1cc(C)ccc1C(=O)N(C)CC1CCN(C)CC1 ZINC000094929066 184896430 /nfs/dbraw/zinc/89/64/30/184896430.db2.gz HHSAKNRSGAADIJ-UHFFFAOYSA-N 0 3 289.423 2.451 10 0 CEAEHN Cc1nn(C)cc1CNC[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000282662691 195673416 /nfs/dbraw/zinc/67/34/16/195673416.db2.gz ISHGZOSQUCMSAM-LLVKDONJSA-N 0 3 296.415 2.074 10 0 CEAEHN C[C@@H](NCCN1CCOCC1)c1ccc(Cl)s1 ZINC000035285902 533395079 /nfs/dbraw/zinc/39/50/79/533395079.db2.gz HFVDPHBOHUTAQY-SNVBAGLBSA-N 0 3 274.817 2.384 10 0 CEAEHN CCn1cc(C2CCN(Cc3ccnc(N)c3)CC2)cn1 ZINC000191468792 130240529 /nfs/dbraw/zinc/24/05/29/130240529.db2.gz DSZJZQNUDJFFEK-UHFFFAOYSA-N 0 3 285.395 2.260 10 0 CEAEHN Cc1cc([C@H](NC2CCCCC2)C(N)=O)cc(C)c1O ZINC000037969871 291989199 /nfs/dbraw/zinc/98/91/99/291989199.db2.gz CDNQYZRHWLZHFE-AWEZNQCLSA-N 0 3 276.380 2.458 10 0 CEAEHN C[C@H]1CN(c2cc(Br)ccc2F)CCN1 ZINC000083060792 135013642 /nfs/dbraw/zinc/01/36/42/135013642.db2.gz LOYPIGVJRKEYFD-QMMMGPOBSA-N 0 3 273.149 2.386 10 0 CEAEHN NCc1ccc(N2C(=O)CCCC2=O)cc1C(F)(F)F ZINC000088191312 135053110 /nfs/dbraw/zinc/05/31/10/135053110.db2.gz GUOAUMNMQXCFQZ-UHFFFAOYSA-N 0 3 286.253 2.208 10 0 CEAEHN NCc1cccnc1N1CCC(C(F)(F)F)CC1 ZINC000088416237 135053936 /nfs/dbraw/zinc/05/39/36/135053936.db2.gz BNWVPNLXXRTRHQ-UHFFFAOYSA-N 0 3 259.275 2.319 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1cncc(CNCC(C)C)n1 ZINC000091420719 135069384 /nfs/dbraw/zinc/06/93/84/135069384.db2.gz ZEXMBUWWJLHCHX-DZGCQCFKSA-N 0 3 292.427 2.226 10 0 CEAEHN Cc1cc(N2CCN(C3CCCC3)CC2)ncc1N ZINC000092027293 135075129 /nfs/dbraw/zinc/07/51/29/135075129.db2.gz NBFNJXZVBSJYHZ-UHFFFAOYSA-N 0 3 260.385 2.037 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CCOC(C)C ZINC000253183966 394575642 /nfs/dbraw/zinc/57/56/42/394575642.db2.gz GYVOLYHOLWTYQQ-CABCVRRESA-N 0 3 254.418 2.360 10 0 CEAEHN CC[C@H](O)CN1CCN(C/C(C)=C\c2ccccc2)CC1 ZINC000255093436 394578899 /nfs/dbraw/zinc/57/88/99/394578899.db2.gz OKMSQYZLKDZUAB-ZUTYSQTGSA-N 0 3 288.435 2.478 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC3(CCC3)C2)C1 ZINC000246693828 394520464 /nfs/dbraw/zinc/52/04/64/394520464.db2.gz RNCPFSCGRFFATA-ZIAGYGMSSA-N 0 3 279.428 2.301 10 0 CEAEHN OC[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000048694469 394522353 /nfs/dbraw/zinc/52/23/53/394522353.db2.gz IHQWDGARTUOERN-ZDUSSCGKSA-N 0 3 256.349 2.439 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000246844042 394522490 /nfs/dbraw/zinc/52/24/90/394522490.db2.gz FDIFRECNBGZWNH-CMPLNLGQSA-N 0 3 283.803 2.137 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Cl)ccn1 ZINC000246884324 394523088 /nfs/dbraw/zinc/52/30/88/394523088.db2.gz GFAGJUKPAOQGNK-STQMWFEESA-N 0 3 293.798 2.434 10 0 CEAEHN c1nc2n(n1)C[C@H](Nc1ccnc3ccccc31)CC2 ZINC000110578604 285584216 /nfs/dbraw/zinc/58/42/16/285584216.db2.gz NOIPHOMHFJPFBJ-LLVKDONJSA-N 0 3 265.320 2.253 10 0 CEAEHN CN1CC[C@@](O)(c2ccccc2CO)[C@@H](c2ccccc2)C1 ZINC000248090060 394537211 /nfs/dbraw/zinc/53/72/11/394537211.db2.gz VEFVMTWOCWGCAI-RTBURBONSA-N 0 3 297.398 2.486 10 0 CEAEHN CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000248471030 394541692 /nfs/dbraw/zinc/54/16/92/394541692.db2.gz IMDNMZGWCIENGW-HGTKMLMNSA-N 0 3 264.413 2.364 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ncc(C)s2)C1 ZINC000049210937 394543382 /nfs/dbraw/zinc/54/33/82/394543382.db2.gz UNNWKSQUHLTBEF-JTQLQIEISA-N 0 3 268.386 2.057 10 0 CEAEHN Cc1csc2c1ncnc2N1C[C@H](C)NC[C@H]1C ZINC000261551381 394602160 /nfs/dbraw/zinc/60/21/60/394602160.db2.gz UKDDFANVIKAENP-VHSXEESVSA-N 0 3 262.382 2.186 10 0 CEAEHN CCC1CCC(NC(=O)NCCCN(C)CCOC)CC1 ZINC000080011670 394633515 /nfs/dbraw/zinc/63/35/15/394633515.db2.gz SULKQSLWLSFMNS-UHFFFAOYSA-N 0 3 299.459 2.223 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)C[C@@H]1CCCCO1 ZINC000087192642 394644820 /nfs/dbraw/zinc/64/48/20/394644820.db2.gz YPHIKXAMNNPSSC-KGLIPLIRSA-N 0 3 270.417 2.038 10 0 CEAEHN Cc1oc2ccccc2c1CN[C@@H]1CCC(=O)N[C@H]1C ZINC000281883580 394868315 /nfs/dbraw/zinc/86/83/15/394868315.db2.gz XKZGTGMXIMTZID-IINYFYTJSA-N 0 3 272.348 2.498 10 0 CEAEHN CC[C@H](SC)C(=O)N(C)C[C@H]1CCCN1CC ZINC000131490887 394912691 /nfs/dbraw/zinc/91/26/91/394912691.db2.gz HVCCXVWGRZIBQM-NEPJUHHUSA-N 0 3 258.431 2.071 10 0 CEAEHN Cc1cnn(C)c1CNC[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000286062458 395007077 /nfs/dbraw/zinc/00/70/77/395007077.db2.gz RNOURQYITPPXDQ-LBPRGKRZSA-N 0 3 296.415 2.074 10 0 CEAEHN CN1CCC[C@H](N[C@@H]2CCCC[C@@H]2C(F)(F)F)C1=O ZINC000517735909 395190029 /nfs/dbraw/zinc/19/00/29/395190029.db2.gz BGVXZGPBLRFDKM-AXFHLTTASA-N 0 3 278.318 2.318 10 0 CEAEHN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(N[C@@H]2C[C@@H]2C)C1 ZINC000180638353 395204747 /nfs/dbraw/zinc/20/47/47/395204747.db2.gz SSBSOZKDKUVSSJ-WCQYABFASA-N 0 3 297.395 2.036 10 0 CEAEHN CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000186373766 395290450 /nfs/dbraw/zinc/29/04/50/395290450.db2.gz IMDNMZGWCIENGW-NYTXWWLZSA-N 0 3 264.413 2.364 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCc2ccccc2)C1 ZINC000194629924 395444287 /nfs/dbraw/zinc/44/42/87/395444287.db2.gz FKFFXNUUPXXYPS-OAHLLOKOSA-N 0 3 260.381 2.220 10 0 CEAEHN CC1(C)CN[C@@H]1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000649317748 396119795 /nfs/dbraw/zinc/11/97/95/396119795.db2.gz PZOMSKFDZVQBJI-WDEREUQCSA-N 0 3 279.409 2.195 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(CCOc2ccc(Cl)cc2)C1 ZINC000401698150 533674229 /nfs/dbraw/zinc/67/42/29/533674229.db2.gz LIUMYJAIUKEQTF-DGCLKSJQSA-N 0 3 269.772 2.422 10 0 CEAEHN Cc1cnn([C@H]2CCCN(C[C@H](O)CC(F)(F)F)C2)c1 ZINC000189220954 153086635 /nfs/dbraw/zinc/08/66/35/153086635.db2.gz HCAQTUOMLGHCIJ-NWDGAFQWSA-N 0 3 291.317 2.142 10 0 CEAEHN Cc1cncc(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000189832445 153108498 /nfs/dbraw/zinc/10/84/98/153108498.db2.gz PUFOGZZVIWCGRP-UHFFFAOYSA-N 0 3 256.353 2.493 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000193379862 153231049 /nfs/dbraw/zinc/23/10/49/153231049.db2.gz YCMHUTJTNKRXQK-JKSUJKDBSA-N 0 3 295.427 2.006 10 0 CEAEHN CCc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000195315564 153283898 /nfs/dbraw/zinc/28/38/98/153283898.db2.gz HVDFJQVPXAVTDL-HNNXBMFYSA-N 0 3 258.365 2.169 10 0 CEAEHN CCc1ccnc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246193183 153533938 /nfs/dbraw/zinc/53/39/38/153533938.db2.gz XEXZDVHSYUHSQR-DOMZBBRYSA-N 0 3 275.396 2.103 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2cc(Cl)ccc2F)n1 ZINC000263150681 154025849 /nfs/dbraw/zinc/02/58/49/154025849.db2.gz DAYGKUCUHLEVGP-LLVKDONJSA-N 0 3 296.733 2.105 10 0 CEAEHN CC(C)CC1(c2nc([C@H]3CNCCN3C)no2)CCC1 ZINC000263218291 154037229 /nfs/dbraw/zinc/03/72/29/154037229.db2.gz LHPDWCYHVGGWBQ-GFCCVEGCSA-N 0 3 278.400 2.114 10 0 CEAEHN CC(C)[C@H]1CC[C@@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514937 154109019 /nfs/dbraw/zinc/10/90/19/154109019.db2.gz OJWQZTWLDDLZQH-FJBKBRRZSA-N 0 3 294.439 2.338 10 0 CEAEHN CC(C)[C@H]1CC[C@@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514937 154109022 /nfs/dbraw/zinc/10/90/22/154109022.db2.gz OJWQZTWLDDLZQH-FJBKBRRZSA-N 0 3 294.439 2.338 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]CCC2CCCCC2)C1 ZINC000263531718 154118725 /nfs/dbraw/zinc/11/87/25/154118725.db2.gz WWOXIJGIATYUGK-UHFFFAOYSA-N 0 3 282.428 2.484 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NCCC2CCCCC2)C1 ZINC000263531718 154118729 /nfs/dbraw/zinc/11/87/29/154118729.db2.gz WWOXIJGIATYUGK-UHFFFAOYSA-N 0 3 282.428 2.484 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NCCC2CCCCC2)C1 ZINC000263531718 154118736 /nfs/dbraw/zinc/11/87/36/154118736.db2.gz WWOXIJGIATYUGK-UHFFFAOYSA-N 0 3 282.428 2.484 10 0 CEAEHN Cc1ccc2c(c1)OCCC[C@H]2N[C@H]1CCc2ncnn2C1 ZINC000180598670 292338295 /nfs/dbraw/zinc/33/82/95/292338295.db2.gz RXVVYRLWKWJXPT-DZGCQCFKSA-N 0 3 298.390 2.405 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000165327535 162345416 /nfs/dbraw/zinc/34/54/16/162345416.db2.gz QJQGKKMXAYVODX-CYBMUJFWSA-N 0 3 276.384 2.138 10 0 CEAEHN CCC[C@H](N)C(=O)NCCCCN(C)c1ccccc1 ZINC000165909132 162348290 /nfs/dbraw/zinc/34/82/90/162348290.db2.gz IRSXYMQAACDQLD-HNNXBMFYSA-N 0 3 277.412 2.147 10 0 CEAEHN c1coc(-c2cc(CN3CCN4CCC[C@@H]4C3)no2)c1 ZINC000171643209 165049291 /nfs/dbraw/zinc/04/92/91/165049291.db2.gz XXSGCCMGCVMOLQ-CYBMUJFWSA-N 0 3 273.336 2.215 10 0 CEAEHN COC[C@H](C)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000173698060 165077714 /nfs/dbraw/zinc/07/77/14/165077714.db2.gz JPHKUBITUQOYES-GXFFZTMASA-N 0 3 251.374 2.209 10 0 CEAEHN Cc1ccccc1-c1nc(CN2CCN3CCC[C@@H]3C2)no1 ZINC000177498490 165199756 /nfs/dbraw/zinc/19/97/56/165199756.db2.gz AMQIBVJMULFVOE-CQSZACIVSA-N 0 3 298.390 2.325 10 0 CEAEHN COc1ccccc1OCCN1CCN2CCCC[C@@H]2C1 ZINC000177761284 165206875 /nfs/dbraw/zinc/20/68/75/165206875.db2.gz AZIOYLMXPQHSEG-OAHLLOKOSA-N 0 3 290.407 2.244 10 0 CEAEHN O=C(c1ncccc1C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000180172648 165300280 /nfs/dbraw/zinc/30/02/80/165300280.db2.gz RQGQJVGZOCOWBR-SNVBAGLBSA-N 0 3 299.296 2.021 10 0 CEAEHN O=C(CCc1ccc2[nH]ccc2c1)N1CCN2CCC[C@H]2C1 ZINC000180472773 165310733 /nfs/dbraw/zinc/31/07/33/165310733.db2.gz CKSQSOOQGNQCSS-INIZCTEOSA-N 0 3 297.402 2.407 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000180590526 165316361 /nfs/dbraw/zinc/31/63/61/165316361.db2.gz UHSOJRNKMSNVBU-TZMCWYRMSA-N 0 3 256.353 2.252 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1cnc(C)s1)CC2 ZINC000180633786 165317394 /nfs/dbraw/zinc/31/73/94/165317394.db2.gz CZCXTSDYLZFRLU-GXSJLCMTSA-N 0 3 291.424 2.271 10 0 CEAEHN CC(C)(O)CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183354706 165389905 /nfs/dbraw/zinc/38/99/05/165389905.db2.gz JZDSHGKKLRHMOI-ZDUSSCGKSA-N 0 3 253.317 2.050 10 0 CEAEHN CC(=O)NCCN[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000020148849 171037181 /nfs/dbraw/zinc/03/71/81/171037181.db2.gz XRBKPRWGJRBOEX-KRWDZBQOSA-N 0 3 284.359 2.207 10 0 CEAEHN Nc1cc(Cl)ccc1NC(=O)CCN1CCSCC1 ZINC000020256922 171111415 /nfs/dbraw/zinc/11/14/15/171111415.db2.gz CYDNYBIBKCPHBC-UHFFFAOYSA-N 0 3 299.827 2.300 10 0 CEAEHN CCNC(=O)[C@H](C)NC[C@H](c1ccccc1)N(CC)CC ZINC000020310115 171143933 /nfs/dbraw/zinc/14/39/33/171143933.db2.gz NJHNQXTWYIWHMO-GOEBONIOSA-N 0 3 291.439 2.184 10 0 CEAEHN NC(=O)C[C@@H](N)c1ccc(SC(F)(F)F)cc1 ZINC000020578118 171256511 /nfs/dbraw/zinc/25/65/11/171256511.db2.gz PGAVGAVRAADTRP-MRVPVSSYSA-N 0 3 264.272 2.174 10 0 CEAEHN O=C(CNC1CCCC1)Nc1ccc(Cl)cn1 ZINC000021265130 171300278 /nfs/dbraw/zinc/30/02/78/171300278.db2.gz TVCJYJYLECCRHN-UHFFFAOYSA-N 0 3 253.733 2.206 10 0 CEAEHN CCCN(CCC)CC(=O)Nc1cc(N)ccc1F ZINC000022154039 171361169 /nfs/dbraw/zinc/36/11/69/171361169.db2.gz JJLRWQZLFUWDBF-UHFFFAOYSA-N 0 3 267.348 2.468 10 0 CEAEHN [NH3+]Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000022168577 171366979 /nfs/dbraw/zinc/36/69/79/171366979.db2.gz AHGBHARVMQXNMD-UHFFFAOYSA-N 0 3 298.314 2.224 10 0 CEAEHN NCc1cccc(NC(=O)CN2CCc3ccccc32)c1 ZINC000022174480 171369792 /nfs/dbraw/zinc/36/97/92/171369792.db2.gz HOUNQQPYENJHOI-UHFFFAOYSA-N 0 3 281.359 2.147 10 0 CEAEHN CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(N)c1 ZINC000022211049 171373569 /nfs/dbraw/zinc/37/35/69/171373569.db2.gz MZZTZGBKRIZPPN-NSHDSACASA-N 0 3 281.787 2.136 10 0 CEAEHN CC[C@H](NCCC(N)=O)c1ccc(Br)cc1 ZINC000035133432 171999047 /nfs/dbraw/zinc/99/90/47/171999047.db2.gz PEJTWZALQBFBFV-NSHDSACASA-N 0 3 285.185 2.365 10 0 CEAEHN CN(C)CCN[C@@H](c1ccccc1)c1ccncc1 ZINC000035174606 172027903 /nfs/dbraw/zinc/02/79/03/172027903.db2.gz QYAQSLXXCDWBEU-INIZCTEOSA-N 0 3 255.365 2.322 10 0 CEAEHN O=C(CN[C@@H]1CCc2ccccc21)N1CCCCC1 ZINC000035180556 172034428 /nfs/dbraw/zinc/03/44/28/172034428.db2.gz MVVWPMUBQMKYDY-OAHLLOKOSA-N 0 3 258.365 2.276 10 0 CEAEHN COC[C@H](C)NC1=NC[C@@H](c2ccccc2)S1 ZINC000035294484 172105641 /nfs/dbraw/zinc/10/56/41/172105641.db2.gz XLBPOHJHFGTLOW-JQWIXIFHSA-N 0 3 250.367 2.455 10 0 CEAEHN CNCc1cc(Cl)ccc1OCc1nnc(C)n1C ZINC000035696606 172364711 /nfs/dbraw/zinc/36/47/11/172364711.db2.gz NMRQXVLNJFJJEY-UHFFFAOYSA-N 0 3 280.759 2.075 10 0 CEAEHN CC(C)c1ccc2c(c1)[C@H](N)C[C@H](C)S2(=O)=O ZINC000035752303 172396791 /nfs/dbraw/zinc/39/67/91/172396791.db2.gz AGKVPIWLHNKXSZ-JOYOIKCWSA-N 0 3 253.367 2.376 10 0 CEAEHN CC[C@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000037030930 172898183 /nfs/dbraw/zinc/89/81/83/172898183.db2.gz PAOBAFZPQIRFPD-ABAIWWIYSA-N 0 3 260.381 2.480 10 0 CEAEHN CC[C@@H](C)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186495 173017502 /nfs/dbraw/zinc/01/75/02/173017502.db2.gz MRJZGFZYBCDSRD-PWSUYJOCSA-N 0 3 253.367 2.293 10 0 CEAEHN CC(C)NCc1cc(Cl)ccc1OC[C@@H](C)C(N)=O ZINC000037226837 173047163 /nfs/dbraw/zinc/04/71/63/173047163.db2.gz QQBARJYBAUAZHM-SNVBAGLBSA-N 0 3 284.787 2.338 10 0 CEAEHN Cc1nc2sccn2c1CN[C@H](C)Cn1cccn1 ZINC000037319801 173120424 /nfs/dbraw/zinc/12/04/24/173120424.db2.gz XLSLYEPYJDXTCY-SNVBAGLBSA-N 0 3 275.381 2.079 10 0 CEAEHN CC(C)[C@H](NC(=O)CNC1CC1)c1cccs1 ZINC000037395407 173176225 /nfs/dbraw/zinc/17/62/25/173176225.db2.gz FMJNTHGDXBHACZ-ZDUSSCGKSA-N 0 3 252.383 2.313 10 0 CEAEHN O=C(CNC1CC1)Nc1ccc(F)cc1Br ZINC000037476921 173228356 /nfs/dbraw/zinc/22/83/56/173228356.db2.gz OOLKTBZWVQGKTG-UHFFFAOYSA-N 0 3 287.132 2.279 10 0 CEAEHN CC(C)NCC(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 ZINC000037495691 173235023 /nfs/dbraw/zinc/23/50/23/173235023.db2.gz XSGZZMBNCPBIDL-VIFPVBQESA-N 0 3 266.307 2.174 10 0 CEAEHN C[C@@H](CN[C@@H]1COc2cc(O)ccc21)N1CCCCC1 ZINC000038028602 174017083 /nfs/dbraw/zinc/01/70/83/174017083.db2.gz TZYSAVQNJSUYBR-SWLSCSKDSA-N 0 3 276.380 2.290 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@@H](O)COCc2ccco2)o1 ZINC000038097800 174111742 /nfs/dbraw/zinc/11/17/42/174111742.db2.gz NZDRCWATSFKIKY-QWHCGFSZSA-N 0 3 279.336 2.409 10 0 CEAEHN COc1ccc(C(=O)Nc2ccccc2)cc1CN ZINC000039073282 174162355 /nfs/dbraw/zinc/16/23/55/174162355.db2.gz CFZUTQTZRGIIKJ-UHFFFAOYSA-N 0 3 256.305 2.406 10 0 CEAEHN COc1ccc([C@H](C)NC[C@@H](O)COC(C)C)cc1OC ZINC000040491055 174292612 /nfs/dbraw/zinc/29/26/12/174292612.db2.gz VSOOHOQFUFXNGM-GXTWGEPZSA-N 0 3 297.395 2.140 10 0 CEAEHN CC[C@@H](N)c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495037 174293871 /nfs/dbraw/zinc/29/38/71/174293871.db2.gz YYFVDZZVJLJLHH-CYBMUJFWSA-N 0 3 284.425 2.421 10 0 CEAEHN CCCCOCCN[C@H](C)C(=O)N[C@@H](C)CCC ZINC000040507353 174303018 /nfs/dbraw/zinc/30/30/18/174303018.db2.gz IBSMDDQLCMEOMI-QWHCGFSZSA-N 0 3 258.406 2.086 10 0 CEAEHN COC(=O)CCCN[C@@H](C)c1sc(C)nc1C ZINC000040518613 174307708 /nfs/dbraw/zinc/30/77/08/174307708.db2.gz ZYKQPJPUURTVQD-QMMMGPOBSA-N 0 3 256.371 2.364 10 0 CEAEHN CCOc1ccc([C@@H](CNC(C)=O)N2CCCC2)cc1 ZINC000040614533 174353495 /nfs/dbraw/zinc/35/34/95/174353495.db2.gz RGAHUCKRFNPKJJ-MRXNPFEDSA-N 0 3 276.380 2.358 10 0 CEAEHN CCOC(=O)CCNCc1cc2c(s1)CCC2 ZINC000040627367 174357043 /nfs/dbraw/zinc/35/70/43/174357043.db2.gz JUYJECPQOIDKID-UHFFFAOYSA-N 0 3 253.367 2.280 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000040629965 174358040 /nfs/dbraw/zinc/35/80/40/174358040.db2.gz XOXGFEPYCKFRGK-KWQFWETISA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000040631291 174358372 /nfs/dbraw/zinc/35/83/72/174358372.db2.gz QUQFNSIAIINQRD-ZIAGYGMSSA-N 0 3 262.353 2.125 10 0 CEAEHN Cc1n[nH]cc1CN[C@H]1CCN(CCc2ccccc2)C1 ZINC000040671497 174369266 /nfs/dbraw/zinc/36/92/66/174369266.db2.gz ZCWVCHGSOFZWSP-KRWDZBQOSA-N 0 3 284.407 2.125 10 0 CEAEHN CN(C)c1cccc(Oc2ncccc2C(=N)N)c1 ZINC000040714612 174382443 /nfs/dbraw/zinc/38/24/43/174382443.db2.gz RNSZYNSDRSNOOB-UHFFFAOYSA-N 0 3 256.309 2.224 10 0 CEAEHN COc1ccc(C)cc1[C@@H](N)COC1CCOCC1 ZINC000040992677 174445879 /nfs/dbraw/zinc/44/58/79/174445879.db2.gz YQKJEMFAERKJGW-AWEZNQCLSA-N 0 3 265.353 2.199 10 0 CEAEHN NC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCCC1 ZINC000041032719 174456166 /nfs/dbraw/zinc/45/61/66/174456166.db2.gz CWGROAXQIAZJOU-UHFFFAOYSA-N 0 3 273.336 2.452 10 0 CEAEHN CC(C)(N)c1cn(Cc2cc(-c3cccs3)on2)nn1 ZINC000070117899 414765158 /nfs/dbraw/zinc/76/51/58/414765158.db2.gz UPJCFTQREPOYKN-UHFFFAOYSA-N 0 3 289.364 2.237 10 0 CEAEHN CC(C)c1ccc(CN2CC[C@H]3OCCN[C@@H]3C2)cc1 ZINC000404061567 414770701 /nfs/dbraw/zinc/77/07/01/414770701.db2.gz DFCNHXMNXGVCCG-IAGOWNOFSA-N 0 3 274.408 2.373 10 0 CEAEHN Cc1ccsc1C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662975042 414815660 /nfs/dbraw/zinc/81/56/60/414815660.db2.gz DRGKWWMTUNFPMU-SSDOTTSWSA-N 0 3 266.288 2.018 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cnccc1C(F)(F)F ZINC000663001966 414824182 /nfs/dbraw/zinc/82/41/82/414824182.db2.gz MCXGGTMMRUZHRU-LDYMZIIASA-N 0 3 289.301 2.090 10 0 CEAEHN CCc1ccc([C@@H](C)N[C@@H]2CCS(=O)(=O)C2)s1 ZINC000041671149 174600354 /nfs/dbraw/zinc/60/03/54/174600354.db2.gz LGZFAOFDJDBOAK-NXEZZACHSA-N 0 3 273.423 2.148 10 0 CEAEHN COc1cc2nc([C@H](N)CCSC)[nH]c2cc1OC ZINC000042172977 174651930 /nfs/dbraw/zinc/65/19/30/174651930.db2.gz OUJVQXZFUFXVJP-MRVPVSSYSA-N 0 3 281.381 2.333 10 0 CEAEHN C[C@@H](N)[C@H](c1ccc(Cl)cc1)N1CCCC[C@@H]1C(N)=O ZINC000042946463 174921794 /nfs/dbraw/zinc/92/17/94/174921794.db2.gz DYJSDXRTEUECLT-LERXQTSPSA-N 0 3 295.814 2.068 10 0 CEAEHN N[C@@H](c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000043299901 175000467 /nfs/dbraw/zinc/00/04/67/175000467.db2.gz PSMBNAWYTCOPES-LDYMZIIASA-N 0 3 293.310 2.140 10 0 CEAEHN N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299975 175001169 /nfs/dbraw/zinc/00/11/69/175001169.db2.gz NBZSYMMJUZUFBA-KWQFWETISA-N 0 3 294.203 2.428 10 0 CEAEHN CCN[C@@H](c1ccc(CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300949 175001478 /nfs/dbraw/zinc/00/14/78/175001478.db2.gz ZCDYQZDCYKUOOQ-CABCVRRESA-N 0 3 281.421 2.334 10 0 CEAEHN NC[C@@H](c1ccccn1)N1CCC[C@@H]1c1ccncc1 ZINC000043339396 175013912 /nfs/dbraw/zinc/01/39/12/175013912.db2.gz ZJBGGPYMAMOANP-CVEARBPZSA-N 0 3 268.364 2.314 10 0 CEAEHN CN(C)c1cccc(O[C@@H](CN)c2ccccn2)c1 ZINC000043344003 175016270 /nfs/dbraw/zinc/01/62/70/175016270.db2.gz ZGFXFXNJXWCLIP-HNNXBMFYSA-N 0 3 257.337 2.226 10 0 CEAEHN NC[C@@H](c1cccnc1)N1CCC[C@@H]1c1cccnc1 ZINC000043346683 175017503 /nfs/dbraw/zinc/01/75/03/175017503.db2.gz XXRIXJGPNRDDMI-CVEARBPZSA-N 0 3 268.364 2.314 10 0 CEAEHN Cc1ccc([C@H]([C@@H](C)N)N(C)[C@@H]2CCSC2)o1 ZINC000043364091 175024696 /nfs/dbraw/zinc/02/46/96/175024696.db2.gz QTPMFVAMHOSKCS-WZRBSPASSA-N 0 3 254.399 2.414 10 0 CEAEHN COCCN(c1nc(C)ccc1CN)[C@H](C)C1CC1 ZINC000043396020 175036387 /nfs/dbraw/zinc/03/63/87/175036387.db2.gz SUQKUIYNHSIZIW-GFCCVEGCSA-N 0 3 263.385 2.100 10 0 CEAEHN COCCOc1ccc2c(c1)OC(C)(C)C[C@H]2N ZINC000043460067 175051178 /nfs/dbraw/zinc/05/11/78/175051178.db2.gz VLYVWQLDVNWABM-GFCCVEGCSA-N 0 3 251.326 2.273 10 0 CEAEHN CN[C@H](CN(C)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000043822771 175114476 /nfs/dbraw/zinc/11/44/76/175114476.db2.gz WTOKWICHEKRRNF-CQSZACIVSA-N 0 3 276.380 2.203 10 0 CEAEHN CN[C@@H](CN(C)C1CC1)c1ccc2c(c1)OCCCO2 ZINC000043822768 175114785 /nfs/dbraw/zinc/11/47/85/175114785.db2.gz WTOKWICHEKRRNF-AWEZNQCLSA-N 0 3 276.380 2.203 10 0 CEAEHN CN[C@@H](CN1CCOC[C@@H]1C)c1ccc(OC(C)C)cc1 ZINC000043891171 175118240 /nfs/dbraw/zinc/11/82/40/175118240.db2.gz FTBNHLFGNYAIEQ-YOEHRIQHSA-N 0 3 292.423 2.455 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@@H]1N(C)Cc1cccnc1 ZINC000043893527 175118858 /nfs/dbraw/zinc/11/88/58/175118858.db2.gz YEOWMLDCEASUKL-RDJZCZTQSA-N 0 3 283.375 2.235 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@H]1N(C)Cc1ccncc1 ZINC000043893957 175119292 /nfs/dbraw/zinc/11/92/92/175119292.db2.gz QYLWRZWLSOLVTC-NVXWUHKLSA-N 0 3 283.375 2.235 10 0 CEAEHN C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1cnn(C)c1 ZINC000044495151 175182735 /nfs/dbraw/zinc/18/27/35/175182735.db2.gz ZHPDAYUEZWVCGB-CJNGLKHVSA-N 0 3 272.396 2.374 10 0 CEAEHN CNC(=O)CCN[C@H](c1ccc(F)cc1)C1CC1 ZINC000044990306 175286117 /nfs/dbraw/zinc/28/61/17/175286117.db2.gz JKSFLDUYPKQRCX-AWEZNQCLSA-N 0 3 250.317 2.003 10 0 CEAEHN CCC1N=NC(=S)N1C[C@H](C)N1CCCCC1 ZINC000045005130 175288136 /nfs/dbraw/zinc/28/81/36/175288136.db2.gz JCIKEOWRCRDNIT-JTQLQIEISA-N 0 3 254.403 2.004 10 0 CEAEHN Cc1ccc2c(c1)nc(N)n2Cc1ccnc(C)n1 ZINC000045005495 175288141 /nfs/dbraw/zinc/28/81/41/175288141.db2.gz LRSKKFQEVYSCPF-UHFFFAOYSA-N 0 3 253.309 2.074 10 0 CEAEHN Cc1nn(C)c(N(C)CC(C)(C)C)c1CNC1CC1 ZINC000045085469 175303449 /nfs/dbraw/zinc/30/34/49/175303449.db2.gz XXSCYMVXQORLRQ-UHFFFAOYSA-N 0 3 264.417 2.463 10 0 CEAEHN CCC[C@@H](C)NC(=O)[C@H](C)NCCOCCC(C)C ZINC000045106867 175307935 /nfs/dbraw/zinc/30/79/35/175307935.db2.gz YDTMAUNRCXAEIY-KGLIPLIRSA-N 0 3 272.433 2.332 10 0 CEAEHN Cn1ccnc1CCn1c(N)nc2cc(Cl)ccc21 ZINC000045136002 175313481 /nfs/dbraw/zinc/31/34/81/175313481.db2.gz DUWOSBXYCNMPKO-UHFFFAOYSA-N 0 3 275.743 2.248 10 0 CEAEHN CCN[C@@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223719 175331236 /nfs/dbraw/zinc/33/12/36/175331236.db2.gz ORWMOJYBJXRPPR-AWEZNQCLSA-N 0 3 256.390 2.095 10 0 CEAEHN CC[NH2+][C@@](C)(CCN1CCCCCCC1)C(=O)[O-] ZINC000045223719 175331238 /nfs/dbraw/zinc/33/12/38/175331238.db2.gz ORWMOJYBJXRPPR-AWEZNQCLSA-N 0 3 256.390 2.095 10 0 CEAEHN CCCCN(CC)CC[C@](C)([NH2+]CCC)C(=O)[O-] ZINC000045223347 175331762 /nfs/dbraw/zinc/33/17/62/175331762.db2.gz MQLRPWXUSUKHEW-AWEZNQCLSA-N 0 3 258.406 2.341 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1[C@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231835 175335709 /nfs/dbraw/zinc/33/57/09/175335709.db2.gz SEMORHGQILERNZ-DVOMOZLQSA-N 0 3 282.428 2.323 10 0 CEAEHN CCN[C@@](CN(CC)[C@@H](C)CC)(C(N)=O)c1ccccc1 ZINC000045266365 175339085 /nfs/dbraw/zinc/33/90/85/175339085.db2.gz BQJVESWBFUHMLK-WMLDXEAASA-N 0 3 291.439 2.097 10 0 CEAEHN CCCN[C@@](C)(CN(C)[C@@H](C)CCC)C(=O)OCC ZINC000045271116 175342088 /nfs/dbraw/zinc/34/20/88/175342088.db2.gz BNORATWTTHFWNT-ZFWWWQNUSA-N 0 3 272.433 2.428 10 0 CEAEHN COC(=O)[C@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)NC1CC1 ZINC000045272109 175343539 /nfs/dbraw/zinc/34/35/39/175343539.db2.gz USSTUCDUULCDNY-VBQJREDUSA-N 0 3 294.439 2.182 10 0 CEAEHN CCC[N@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])CC1CC1 ZINC000045276882 175346299 /nfs/dbraw/zinc/34/62/99/175346299.db2.gz QHWDRBSZYQXWIT-OAHLLOKOSA-N 0 3 268.401 2.094 10 0 CEAEHN CCC[N@@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])CC1CC1 ZINC000045276882 175346300 /nfs/dbraw/zinc/34/63/00/175346300.db2.gz QHWDRBSZYQXWIT-OAHLLOKOSA-N 0 3 268.401 2.094 10 0 CEAEHN CC(C)C[N@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C1CC1 ZINC000045277537 175347363 /nfs/dbraw/zinc/34/73/63/175347363.db2.gz YCZRWLRXOAEXAQ-OAHLLOKOSA-N 0 3 268.401 2.092 10 0 CEAEHN CC(C)C[N@@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C1CC1 ZINC000045277537 175347364 /nfs/dbraw/zinc/34/73/64/175347364.db2.gz YCZRWLRXOAEXAQ-OAHLLOKOSA-N 0 3 268.401 2.092 10 0 CEAEHN CC(C)CN(CC[C@@](C)([NH2+]C1CC1)C(=O)[O-])C1CC1 ZINC000045277537 175347366 /nfs/dbraw/zinc/34/73/66/175347366.db2.gz YCZRWLRXOAEXAQ-OAHLLOKOSA-N 0 3 268.401 2.092 10 0 CEAEHN CN[C@@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277390 175347766 /nfs/dbraw/zinc/34/77/66/175347766.db2.gz BSPOIKVXWQYPHX-HIFRSBDPSA-N 0 3 268.401 2.094 10 0 CEAEHN CN[C@@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277390 175347768 /nfs/dbraw/zinc/34/77/68/175347768.db2.gz BSPOIKVXWQYPHX-HIFRSBDPSA-N 0 3 268.401 2.094 10 0 CEAEHN COC(=O)[C@](C)(CN(C)[C@@H](C)CC(C)C)NC1CC1 ZINC000045279977 175350501 /nfs/dbraw/zinc/35/05/01/175350501.db2.gz QQRLXEDHNBCFNQ-WFASDCNBSA-N 0 3 270.417 2.037 10 0 CEAEHN CCN[C@](C)(CN(C)CC1CCCCC1)C(=O)OCC ZINC000045281561 175352870 /nfs/dbraw/zinc/35/28/70/175352870.db2.gz KQDSHZYTGDJJRF-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN C[C@H](NC[C@H]1CC(=O)N(C)C1)c1cccc(F)c1F ZINC000658241648 415273443 /nfs/dbraw/zinc/27/34/43/415273443.db2.gz YNOGDCAQHLEBMY-VHSXEESVSA-N 0 3 268.307 2.094 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000655526394 415327727 /nfs/dbraw/zinc/32/77/27/415327727.db2.gz PTSKQTVXLPERQJ-KOLCDFICSA-N 0 3 262.344 2.444 10 0 CEAEHN C[C@H](NC1CC(CO)C1)c1ccc(Br)cn1 ZINC000658352364 415333067 /nfs/dbraw/zinc/33/30/67/415333067.db2.gz FOAIYTKLFSWXHI-SILCLGDVSA-N 0 3 285.185 2.266 10 0 CEAEHN CC(C)N(CC(F)(F)F)c1nc(CN)cs1 ZINC000070682270 176001623 /nfs/dbraw/zinc/00/16/23/176001623.db2.gz HNNDHROSEYYOFM-UHFFFAOYSA-N 0 3 253.293 2.379 10 0 CEAEHN NCc1ccnn1Cc1ccc(F)cc1Br ZINC000070708279 176002425 /nfs/dbraw/zinc/00/24/25/176002425.db2.gz HMURTXVKMWEXJB-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN CCc1ccccc1[C@H]1[C@@H](N)CCC(=O)N1C1CC1 ZINC000070987080 176018750 /nfs/dbraw/zinc/01/87/50/176018750.db2.gz OLGYAJLSEGBEBM-HOCLYGCPSA-N 0 3 258.365 2.402 10 0 CEAEHN CSc1ccc(N2CC[C@H](NC3CC3)C2=O)cc1 ZINC000071037947 176026325 /nfs/dbraw/zinc/02/63/25/176026325.db2.gz CPAFMVLXSUSRER-ZDUSSCGKSA-N 0 3 262.378 2.266 10 0 CEAEHN CCOc1ccccc1N1CC[C@@H](NC(C)C)C1=O ZINC000071038141 176026530 /nfs/dbraw/zinc/02/65/30/176026530.db2.gz CJVPHNBIPSRTNV-GFCCVEGCSA-N 0 3 262.353 2.189 10 0 CEAEHN CCN[C@H]1CCCN(c2ccc3ncccc3c2)C1=O ZINC000071042575 176028639 /nfs/dbraw/zinc/02/86/39/176028639.db2.gz WCDDGBBRPRTXQA-HNNXBMFYSA-N 0 3 269.348 2.340 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1[C@H]1CCOc2ccccc21 ZINC000071043276 176029136 /nfs/dbraw/zinc/02/91/36/176029136.db2.gz HOOOMIAMXBDNSD-CABCVRRESA-N 0 3 286.375 2.253 10 0 CEAEHN CCN[C@@](CO[C@H]1CCC[C@@H](CC)C1)(C(N)=O)C1CC1 ZINC000071133952 176035838 /nfs/dbraw/zinc/03/58/38/176035838.db2.gz ASAWZAZRCMHOFZ-IVMMDQJWSA-N 0 3 282.428 2.215 10 0 CEAEHN CCOc1ccc(Nc2cncc(OC)n2)cc1CN ZINC000071177472 176055145 /nfs/dbraw/zinc/05/51/45/176055145.db2.gz DKWQNUBLIZQBON-UHFFFAOYSA-N 0 3 274.324 2.086 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1O[C@@H]1CCN(C)C1=O ZINC000071183258 176058686 /nfs/dbraw/zinc/05/86/86/176058686.db2.gz ISXOFYYOMARQAL-GXTWGEPZSA-N 0 3 276.380 2.275 10 0 CEAEHN Cc1ccc(C(=O)CN(C)C[C@@H]2CCN(C)C2)cc1 ZINC000071189813 176065523 /nfs/dbraw/zinc/06/55/23/176065523.db2.gz NKOLUQAEMXFGKN-CQSZACIVSA-N 0 3 260.381 2.061 10 0 CEAEHN COc1nc(N(C)C)sc1CN[C@@H]1CCC[C@@H]1C ZINC000071206401 176080204 /nfs/dbraw/zinc/08/02/04/176080204.db2.gz ILBFCSMBMFZPOG-VHSXEESVSA-N 0 3 269.414 2.496 10 0 CEAEHN O[C@H](CNCc1ccccc1N1CCCC1)C1CC1 ZINC000071301711 176114290 /nfs/dbraw/zinc/11/42/90/176114290.db2.gz DWOCANZJGJKHIT-MRXNPFEDSA-N 0 3 260.381 2.147 10 0 CEAEHN CC(C)c1ccc([C@@H](O)CNCc2ccnn2C)cc1 ZINC000071334262 176126699 /nfs/dbraw/zinc/12/66/99/176126699.db2.gz HINZUUZOFRWOQJ-INIZCTEOSA-N 0 3 273.380 2.367 10 0 CEAEHN Cc1ccc(O[C@H]2CCS(=O)(=O)C2)c(CNC(C)C)c1 ZINC000071406458 176155761 /nfs/dbraw/zinc/15/57/61/176155761.db2.gz MRHOOOCGRCSZAS-AWEZNQCLSA-N 0 3 297.420 2.059 10 0 CEAEHN COc1ccc([C@H](CO)NC(C)C)c(OC)c1C ZINC000071574810 176202091 /nfs/dbraw/zinc/20/20/91/176202091.db2.gz FTTRGVQMVOUIRJ-LBPRGKRZSA-N 0 3 253.342 2.044 10 0 CEAEHN N[C@H](CO)COc1ccc(Oc2ccccc2)cc1 ZINC000071585255 176210889 /nfs/dbraw/zinc/21/08/89/176210889.db2.gz NSNYDZPYIPVYKK-GFCCVEGCSA-N 0 3 259.305 2.177 10 0 CEAEHN COc1ccc(F)cc1N(C)C1CCN(C)CC1 ZINC000071711298 176248559 /nfs/dbraw/zinc/24/85/59/176248559.db2.gz IRCVNXUJCJHPHT-UHFFFAOYSA-N 0 3 252.333 2.365 10 0 CEAEHN CCC[C@H]1C[C@H]1NC(=O)c1cc2c(s1)CCNC2 ZINC000662518067 415872082 /nfs/dbraw/zinc/87/20/82/415872082.db2.gz ZGFMJAQFGXVHAF-GXSJLCMTSA-N 0 3 264.394 2.312 10 0 CEAEHN CO[C@H](CNC(=O)[C@]1(C)CCCCN1)C1CCCCC1 ZINC000662733767 415947690 /nfs/dbraw/zinc/94/76/90/415947690.db2.gz MWQYYSJLXNVSPG-ZBFHGGJFSA-N 0 3 282.428 2.230 10 0 CEAEHN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCCCN1 ZINC000662734495 415949299 /nfs/dbraw/zinc/94/92/99/415949299.db2.gz PTMPIJIYGWSELH-VYHDIPPYSA-N 0 3 250.386 2.308 10 0 CEAEHN CNCC(=O)N[C@H](C)c1ccc(OC)c(C(C)C)c1 ZINC000076368842 177005948 /nfs/dbraw/zinc/00/59/48/177005948.db2.gz NHOLIRYZMLDTEG-LLVKDONJSA-N 0 3 264.369 2.215 10 0 CEAEHN CC[C@@H](NC[C@@H]1CN(CC)CCO1)c1ccccc1 ZINC000078516240 177348855 /nfs/dbraw/zinc/34/88/55/177348855.db2.gz FVKWZGUSSJRCMD-HZPDHXFCSA-N 0 3 262.397 2.448 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc3c(c2)OCCCO3)CCCCN1 ZINC000136141125 419440772 /nfs/dbraw/zinc/44/07/72/419440772.db2.gz SARAUBLSSIGACC-MRXNPFEDSA-N 0 3 290.363 2.319 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188662150 262335766 /nfs/dbraw/zinc/33/57/66/262335766.db2.gz FDKRHKCIIYAFKM-KGLIPLIRSA-N 0 3 297.443 2.070 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C/c2scnc2C)C1 ZINC000188891530 270258345 /nfs/dbraw/zinc/25/83/45/270258345.db2.gz RRLBBIQHBAEPCU-SYTKJHMZSA-N 0 3 279.409 2.065 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(COC)c2)C1 ZINC000194335741 270296853 /nfs/dbraw/zinc/29/68/53/270296853.db2.gz QREUSBSJTFGCDS-OAHLLOKOSA-N 0 3 291.395 2.439 10 0 CEAEHN C[C@H](NCCn1cncn1)c1ccc2c(c1)CCC2 ZINC000268857876 270330752 /nfs/dbraw/zinc/33/07/52/270330752.db2.gz UWUSDNYTEKQFDH-LBPRGKRZSA-N 0 3 256.353 2.118 10 0 CEAEHN Cc1nnsc1CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000311544300 270333067 /nfs/dbraw/zinc/33/30/67/270333067.db2.gz OCJBJGSPJOFZPF-UPJWGTAASA-N 0 3 281.425 2.362 10 0 CEAEHN CC(C)c1ccc([C@@H](C)N[C@H](C)C(=O)NC(N)=O)cc1 ZINC000048433736 275745067 /nfs/dbraw/zinc/74/50/67/275745067.db2.gz RIRRMEOGOBWDHW-GHMZBOCLSA-N 0 3 277.368 2.044 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000193129147 276543364 /nfs/dbraw/zinc/54/33/64/276543364.db2.gz RFXBYHVDFXLZDR-XQLPTFJDSA-N 0 3 282.428 2.323 10 0 CEAEHN CN1c2ccccc2[C@H](NC[C@H]2CCCCO2)CC1=O ZINC000042817226 276992638 /nfs/dbraw/zinc/99/26/38/276992638.db2.gz VBVKEHKPYFGXAG-TZMCWYRMSA-N 0 3 274.364 2.253 10 0 CEAEHN CNCC(=O)N1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000193128004 277263644 /nfs/dbraw/zinc/26/36/44/277263644.db2.gz QEVOABOSHKGOPQ-UHFFFAOYSA-N 0 3 285.391 2.402 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000180602371 278388312 /nfs/dbraw/zinc/38/83/12/278388312.db2.gz DLKRYBPDCKNOMY-RNCFNFMXSA-N 0 3 278.306 2.222 10 0 CEAEHN Cc1ccc2c(c1)[C@@H](NC[C@H]1CN(C)CCO1)CCCO2 ZINC000180497564 278885389 /nfs/dbraw/zinc/88/53/89/278885389.db2.gz AEJMUTORNYENHP-HOCLYGCPSA-N 0 3 290.407 2.129 10 0 CEAEHN C[C@@H]1CN(CCCCCN2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000172646815 288158968 /nfs/dbraw/zinc/15/89/68/288158968.db2.gz CHENLEJJGDJIBT-LUKYLMHMSA-N 0 3 298.471 2.375 10 0 CEAEHN CCCC[C@H](N[C@@H]1CN(C(C)C)C[C@@H]1C)C(=O)OC ZINC000135245616 280040383 /nfs/dbraw/zinc/04/03/83/280040383.db2.gz MPYGOUJOSWTRTQ-MELADBBJSA-N 0 3 270.417 2.037 10 0 CEAEHN CC(C)[C@H](C)NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000047684975 280219882 /nfs/dbraw/zinc/21/98/82/280219882.db2.gz NUOTZWDWFOSOJZ-RDBSUJKOSA-N 0 3 269.433 2.451 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)c1nc(C2CC2)no1 ZINC000245473167 280243269 /nfs/dbraw/zinc/24/32/69/280243269.db2.gz PRQZYYBCNOEWDL-YPMHNXCESA-N 0 3 278.400 2.424 10 0 CEAEHN CCC[C@H](C(=O)NCCO[C@@H]1CCCC[C@H]1C)N(C)C ZINC000245643151 280254946 /nfs/dbraw/zinc/25/49/46/280254946.db2.gz BOLUEAIXIUJQCW-RBSFLKMASA-N 0 3 284.444 2.428 10 0 CEAEHN COCCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCC1 ZINC000246032412 280270584 /nfs/dbraw/zinc/27/05/84/280270584.db2.gz PZPKJZNESUJLSW-ZIAGYGMSSA-N 0 3 282.428 2.038 10 0 CEAEHN Cc1cccc([C@H](C)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247477964 280331125 /nfs/dbraw/zinc/33/11/25/280331125.db2.gz JWASDLMCDKHBCM-JYJNAYRXSA-N 0 3 276.424 2.443 10 0 CEAEHN C[C@H](Cc1ccccc1)CN1CCCNC(=O)[C@@H]1C ZINC000248952538 280375428 /nfs/dbraw/zinc/37/54/28/280375428.db2.gz DEXWWBPJJLAQKA-KGLIPLIRSA-N 0 3 260.381 2.076 10 0 CEAEHN C[C@H](O)CN1CCN(CC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249193656 280388180 /nfs/dbraw/zinc/38/81/80/280388180.db2.gz AZHUWAKWGNYWTP-VVLHAWIVSA-N 0 3 282.472 2.447 10 0 CEAEHN CC(C)(C)[C@H](O)CNCc1ccc2c(c1)OCCCO2 ZINC000324472048 280601715 /nfs/dbraw/zinc/60/17/15/280601715.db2.gz HGKCQSLJGHZWBA-OAHLLOKOSA-N 0 3 279.380 2.345 10 0 CEAEHN Cc1ccc(NC(=O)[C@@]2(C)CCCCN2)c(C)c1O ZINC000133174326 280906333 /nfs/dbraw/zinc/90/63/33/280906333.db2.gz LAXMGPJGOOBXRH-OAHLLOKOSA-N 0 3 262.353 2.480 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000183285503 321713688 /nfs/dbraw/zinc/71/36/88/321713688.db2.gz IWMJGMXGQFLNBO-HIFRSBDPSA-N 0 3 297.395 2.370 10 0 CEAEHN Cc1cnc(NCc2ccc3c(c2)CNC3)nc1C ZINC000386705568 321873486 /nfs/dbraw/zinc/87/34/86/321873486.db2.gz VVDCIEAQMGCXSE-UHFFFAOYSA-N 0 3 254.337 2.309 10 0 CEAEHN CC(C)CCOCCn1ccnc1CNC(C)C ZINC000051005432 519669305 /nfs/dbraw/zinc/66/93/05/519669305.db2.gz XEDFVGSLPBORNJ-UHFFFAOYSA-N 0 3 253.390 2.444 10 0 CEAEHN CCN[C@@H](CCSCc1cccc(C)c1)C(N)=O ZINC000062604047 520095530 /nfs/dbraw/zinc/09/55/30/520095530.db2.gz IWWKQNWZSRVCKJ-ZDUSSCGKSA-N 0 3 266.410 2.082 10 0 CEAEHN CCCNc1snnc1CN(CCC)CCN(C)C ZINC000050816476 520203189 /nfs/dbraw/zinc/20/31/89/520203189.db2.gz KQRYULCCFCMREF-UHFFFAOYSA-N 0 3 285.461 2.134 10 0 CEAEHN CCNc1cc(CC)nc(CCN(CC)CC)n1 ZINC000050851122 520269115 /nfs/dbraw/zinc/26/91/15/520269115.db2.gz CYTPAFUNRNNXHC-UHFFFAOYSA-N 0 3 250.390 2.355 10 0 CEAEHN COCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000052790702 521826302 /nfs/dbraw/zinc/82/63/02/521826302.db2.gz GTOFXMKOFYZLKU-SECBINFHSA-N 0 3 277.151 2.296 10 0 CEAEHN CN(C)C[C@H]1CCCN1CC(=O)c1c(F)cccc1F ZINC000061645729 521865002 /nfs/dbraw/zinc/86/50/02/521865002.db2.gz WHAIZLCJFRTBPI-LLVKDONJSA-N 0 3 282.334 2.174 10 0 CEAEHN COCC[C@H](N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000052790775 521946541 /nfs/dbraw/zinc/94/65/41/521946541.db2.gz XOHVVULSSMWYOJ-VIFPVBQESA-N 0 3 277.151 2.296 10 0 CEAEHN COC(=O)c1cc(CN[C@@H](C)[C@H]2CCCO2)cs1 ZINC000411537983 533825488 /nfs/dbraw/zinc/82/54/88/533825488.db2.gz SSLFNEXXHHWQRS-GXSJLCMTSA-N 0 3 269.366 2.192 10 0 CEAEHN CC(C)(C)N1C(=O)C[C@H](N)[C@@H]1c1ccccc1F ZINC000062210092 518705043 /nfs/dbraw/zinc/70/50/43/518705043.db2.gz DONVXPVQTFYDQS-AAEUAGOBSA-N 0 3 250.317 2.225 10 0 CEAEHN CC(C)NCc1cnc(N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000054900504 519728240 /nfs/dbraw/zinc/72/82/40/519728240.db2.gz FEEQVYWYWSBYEP-GHMZBOCLSA-N 0 3 269.414 2.255 10 0 CEAEHN CC(C)NCc1cnn([C@@H]2CCCCC[C@@H]2O)c1 ZINC000054600475 519728461 /nfs/dbraw/zinc/72/84/61/519728461.db2.gz GNAHTGWYYAWMFW-KGLIPLIRSA-N 0 3 251.374 2.247 10 0 CEAEHN CC(=O)Nc1ccc([C@@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000054682917 519733479 /nfs/dbraw/zinc/73/34/79/519733479.db2.gz ZLQSURNZDYZUTF-JKSUJKDBSA-N 0 3 270.332 2.378 10 0 CEAEHN CC(C)N[C@@H](CS[C@@H]1CCC[C@@H](C)C1)C(N)=O ZINC000054695506 519735133 /nfs/dbraw/zinc/73/51/33/519735133.db2.gz XHBFSJIJSYZINU-UTUOFQBUSA-N 0 3 258.431 2.150 10 0 CEAEHN CC(C)N[C@]1(c2nccs2)CCN(C(C)C)C1 ZINC000045660010 519741088 /nfs/dbraw/zinc/74/10/88/519741088.db2.gz GUNXNJBGXHVRNK-CYBMUJFWSA-N 0 3 253.415 2.451 10 0 CEAEHN CC(C)N[C@](CSC1CCCC1)(C(N)=O)C1CC1 ZINC000069190586 519741156 /nfs/dbraw/zinc/74/11/56/519741156.db2.gz JLBOBUZMWDGLNC-AWEZNQCLSA-N 0 3 270.442 2.294 10 0 CEAEHN CCCN1CCC(O)(c2ccc3c(c2)OCCO3)CC1 ZINC000055192486 519847856 /nfs/dbraw/zinc/84/78/56/519847856.db2.gz WKOFOEAHUPGDLI-UHFFFAOYSA-N 0 3 277.364 2.151 10 0 CEAEHN CCCN1CCN(c2ncc([C@H](C)NCC)s2)CC1 ZINC000054899196 519860566 /nfs/dbraw/zinc/86/05/66/519860566.db2.gz PUMOWNLMZGHBTJ-LBPRGKRZSA-N 0 3 282.457 2.346 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000061291543 519905936 /nfs/dbraw/zinc/90/59/36/519905936.db2.gz OXOHXVQTTCTYDT-UHFFFAOYSA-N 0 3 291.395 2.023 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(Br)cn1 ZINC000061288415 519906869 /nfs/dbraw/zinc/90/68/69/519906869.db2.gz WLYYULBAYPBLBA-UHFFFAOYSA-N 0 3 286.173 2.171 10 0 CEAEHN CCNCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000066225762 519911607 /nfs/dbraw/zinc/91/16/07/519911607.db2.gz JIWWFGROHYRMFF-UHFFFAOYSA-N 0 3 297.358 2.487 10 0 CEAEHN CCCN[C@@H](C)c1c(F)cccc1N1CCS(=O)CC1 ZINC000049691929 519987676 /nfs/dbraw/zinc/98/76/76/519987676.db2.gz PFXNHWWQTZWXPM-LBPRGKRZSA-N 0 3 298.427 2.455 10 0 CEAEHN CCNCc1ccnc(Cc2ccc(OC)c(OC)c2)n1 ZINC000054791375 520011210 /nfs/dbraw/zinc/01/12/10/520011210.db2.gz NKKBUNGIWQGBDL-UHFFFAOYSA-N 0 3 287.363 2.194 10 0 CEAEHN CCNCc1cnc(N2C[C@H](C)OC(C)(C)C2)s1 ZINC000054908051 520016946 /nfs/dbraw/zinc/01/69/46/520016946.db2.gz HUEHTDWJPIBGKK-JTQLQIEISA-N 0 3 269.414 2.256 10 0 CEAEHN CCCN[C@@H]1COc2cc(O[C@H](C)C(=O)NCC)ccc21 ZINC000062805181 520029436 /nfs/dbraw/zinc/02/94/36/520029436.db2.gz DEVVNLMRNIJABN-BXUZGUMPSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](C)C(C)(C)CC)C(=O)[O-] ZINC000069443278 520037496 /nfs/dbraw/zinc/03/74/96/520037496.db2.gz CRQBGZYENPPHJI-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](C)C(C)(C)CC)C(=O)[O-] ZINC000069443278 520037501 /nfs/dbraw/zinc/03/75/01/520037501.db2.gz CRQBGZYENPPHJI-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)C(C)(C)CC)C(=O)[O-] ZINC000069443278 520037507 /nfs/dbraw/zinc/03/75/07/520037507.db2.gz CRQBGZYENPPHJI-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OCCC(N)=O ZINC000062747239 520065532 /nfs/dbraw/zinc/06/55/32/520065532.db2.gz BMIIIXATVTWNSD-SNVBAGLBSA-N 0 3 268.332 2.141 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC ZINC000062747407 520066282 /nfs/dbraw/zinc/06/62/82/520066282.db2.gz SGGGUOIPUQXVHV-GHMZBOCLSA-N 0 3 282.359 2.400 10 0 CEAEHN CCN[C@@H](C)c1ccc(-n2ccc(C(N)=O)n2)cc1Cl ZINC000070328124 520073830 /nfs/dbraw/zinc/07/38/30/520073830.db2.gz NUVCXAWYDXCCDA-VIFPVBQESA-N 0 3 292.770 2.295 10 0 CEAEHN CCN[C@@H](CCSc1cc(C)ccc1C)C(N)=O ZINC000062600234 520095324 /nfs/dbraw/zinc/09/53/24/520095324.db2.gz XBTUAGGJSGYBDN-LBPRGKRZSA-N 0 3 266.410 2.249 10 0 CEAEHN CCOC[C@@H](O)COc1c(Cl)cc(Cl)cc1CN ZINC000069275578 520105632 /nfs/dbraw/zinc/10/56/32/520105632.db2.gz SDEGFRZHCQYGSV-SNVBAGLBSA-N 0 3 294.178 2.228 10 0 CEAEHN CCN[C@@H](c1ccc(Cl)s1)[C@H]1COCCO1 ZINC000055300158 520110133 /nfs/dbraw/zinc/11/01/33/520110133.db2.gz KOMCAIXWMZSGRX-LDYMZIIASA-N 0 3 261.774 2.468 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3nnc(CC)o3)ccc21 ZINC000062804666 520124753 /nfs/dbraw/zinc/12/47/53/520124753.db2.gz AIHKEKMBIFBHHA-GFCCVEGCSA-N 0 3 289.335 2.254 10 0 CEAEHN CCCN[C@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185543 520126359 /nfs/dbraw/zinc/12/63/59/520126359.db2.gz HVEXIJICHONUFD-HNNXBMFYSA-N 0 3 278.421 2.412 10 0 CEAEHN CCCNc1ccc(C(=O)NC[C@H](C)N(C)C)cc1 ZINC000050780013 520148388 /nfs/dbraw/zinc/14/83/88/520148388.db2.gz FINFFCBUNBAUCJ-LBPRGKRZSA-N 0 3 263.385 2.188 10 0 CEAEHN CCN[C@H](CCOc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000062548955 520190858 /nfs/dbraw/zinc/19/08/58/520190858.db2.gz CJKTUKATAJANTL-CQSZACIVSA-N 0 3 278.396 2.216 10 0 CEAEHN CCN[C@H](Cc1cccc(OC)c1)c1cncnc1 ZINC000052887298 520202469 /nfs/dbraw/zinc/20/24/69/520202469.db2.gz OTUSWVAERHFBKU-OAHLLOKOSA-N 0 3 257.337 2.379 10 0 CEAEHN CCN[C@H](Cn1ccc(=O)cc1)c1ccccc1OC ZINC000061627834 520205887 /nfs/dbraw/zinc/20/58/87/520205887.db2.gz JMLWPHIJBNJGLX-OAHLLOKOSA-N 0 3 272.348 2.208 10 0 CEAEHN CCN[C@H]1COc2cc(O[C@H]3CCC[C@@H]3O)ccc21 ZINC000062804754 520221397 /nfs/dbraw/zinc/22/13/97/520221397.db2.gz XJLAGLHXBIFNOC-IHRRRGAJSA-N 0 3 263.337 2.022 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1cccc(C)c1C)C(N)=O ZINC000068655477 520237737 /nfs/dbraw/zinc/23/77/37/520237737.db2.gz NGZZNLWNRSWKET-MLGOLLRUSA-N 0 3 278.396 2.314 10 0 CEAEHN CCNc1c(F)cccc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000061656075 520254432 /nfs/dbraw/zinc/25/44/32/520254432.db2.gz HOYPIXJOIBCCBJ-GFCCVEGCSA-N 0 3 293.386 2.424 10 0 CEAEHN CCCO[C@H]1CCCN(c2nc(C)c(CN)s2)C1 ZINC000055002267 520286995 /nfs/dbraw/zinc/28/69/95/520286995.db2.gz PGNOOQOJDGSPBF-NSHDSACASA-N 0 3 269.414 2.306 10 0 CEAEHN CCNc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000050777548 520289459 /nfs/dbraw/zinc/28/94/59/520289459.db2.gz QSSCEXSACKBRKW-CYBMUJFWSA-N 0 3 275.396 2.190 10 0 CEAEHN CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C)C2CCCC2)C1(C)C ZINC000157293635 520452118 /nfs/dbraw/zinc/45/21/18/520452118.db2.gz LHLLRKHGPSPVAB-GHJWDPDVSA-N 0 3 282.428 2.214 10 0 CEAEHN CCCCN(CC)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069090276 520479642 /nfs/dbraw/zinc/47/96/42/520479642.db2.gz ZDQDLQPMIYBMGB-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CC1(C)CN(c2nc3c(s2)[C@H](N)CCC3)CCO1 ZINC000054895957 520493879 /nfs/dbraw/zinc/49/38/79/520493879.db2.gz NLNUKCNWOHKVCY-SECBINFHSA-N 0 3 267.398 2.094 10 0 CEAEHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccccc1N ZINC000069237125 520965173 /nfs/dbraw/zinc/96/51/73/520965173.db2.gz HIUFPTKFWODTLM-NSHDSACASA-N 0 3 261.369 2.328 10 0 CEAEHN CCOc1ccc(NC(=O)C(C)(C)NC)cc1OC ZINC000061316124 521050610 /nfs/dbraw/zinc/05/06/10/521050610.db2.gz QOTVJUAWBJYCLD-UHFFFAOYSA-N 0 3 266.341 2.030 10 0 CEAEHN CCN(C[C@@](NC(C)C)(C(N)=O)C1CC1)c1ccccc1 ZINC000069096320 521235217 /nfs/dbraw/zinc/23/52/17/521235217.db2.gz ZCHDWYZVVUPSQA-KRWDZBQOSA-N 0 3 289.423 2.145 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)N[C@H](CC(C)C)CN(C)C ZINC000049555882 521333133 /nfs/dbraw/zinc/33/31/33/521333133.db2.gz ULOHBVXYDJEJRW-ZIAGYGMSSA-N 0 3 285.476 2.246 10 0 CEAEHN CCC(C)(C)c1ccc(OCC[C@@H](NC)C(N)=O)cc1 ZINC000062549203 521371311 /nfs/dbraw/zinc/37/13/11/521371311.db2.gz FFHGVRVSCFTLJI-CQSZACIVSA-N 0 3 278.396 2.216 10 0 CEAEHN CCN(Cc1ccncc1)c1nc(C)c(CN)s1 ZINC000054999408 521424176 /nfs/dbraw/zinc/42/41/76/521424176.db2.gz QORIWHXXATUHQH-UHFFFAOYSA-N 0 3 262.382 2.332 10 0 CEAEHN CCOc1cccc([C@H]2[C@@H](N)CC(=O)N2C(C)C)c1 ZINC000062209452 521427109 /nfs/dbraw/zinc/42/71/09/521427109.db2.gz CGCURJKSIHFMEJ-ZFWWWQNUSA-N 0 3 262.353 2.094 10 0 CEAEHN CCN1C(=O)CC[C@H](N)[C@@H]1c1ccc(Br)o1 ZINC000062211444 521518338 /nfs/dbraw/zinc/51/83/38/521518338.db2.gz BOZZSGJYYPJBLL-WRWORJQWSA-N 0 3 287.157 2.053 10 0 CEAEHN CCCc1nc(N2CCN(CC(C)C)CC2)sc1CN ZINC000055076599 521532262 /nfs/dbraw/zinc/53/22/62/521532262.db2.gz BFJDNZSTUUWCLM-UHFFFAOYSA-N 0 3 296.484 2.332 10 0 CEAEHN CCCc1nc(N2CCO[C@H](CC)C2)sc1CNC ZINC000054997420 521534090 /nfs/dbraw/zinc/53/40/90/521534090.db2.gz VLFUGYAVGGCYDA-LLVKDONJSA-N 0 3 283.441 2.430 10 0 CEAEHN CCOc1ccccc1[C@H]1[C@@H](N)CC(=O)N1C(C)C ZINC000062209436 521590359 /nfs/dbraw/zinc/59/03/59/521590359.db2.gz VOKDXFCAFXQGQR-WFASDCNBSA-N 0 3 262.353 2.094 10 0 CEAEHN CCS(=O)(=O)CCN[C@@H](c1cccs1)C(C)C ZINC000049556198 521643712 /nfs/dbraw/zinc/64/37/12/521643712.db2.gz BKGDLOKIEODMQU-GFCCVEGCSA-N 0 3 275.439 2.470 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H](C)C2)C1 ZINC000052547939 521645416 /nfs/dbraw/zinc/64/54/16/521645416.db2.gz YILFHYFAUKXOFU-MJBXVCDLSA-N 0 3 267.417 2.349 10 0 CEAEHN CCCN(CCN(C)C)C(=O)c1ccc(NC)c(C)c1 ZINC000063057836 521655145 /nfs/dbraw/zinc/65/51/45/521655145.db2.gz FSEFCCLNYLBOAA-UHFFFAOYSA-N 0 3 277.412 2.451 10 0 CEAEHN CCN1CCN(C[C@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560750 521686512 /nfs/dbraw/zinc/68/65/12/521686512.db2.gz MQORBXSUWZGWHT-OAGGEKHMSA-N 0 3 268.445 2.057 10 0 CEAEHN CCN1CCN([C@@H](CN)c2cc3ccccc3o2)C[C@@H]1C ZINC000068812055 521691737 /nfs/dbraw/zinc/69/17/37/521691737.db2.gz YPWIYCNTGYRUCG-ZFWWWQNUSA-N 0 3 287.407 2.459 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc2cc(N)ccc2o1 ZINC000061641837 521835353 /nfs/dbraw/zinc/83/53/53/521835353.db2.gz ZDWZXKDEIBSBDR-ZDUSSCGKSA-N 0 3 287.363 2.181 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1c(F)cc(C=O)cc1F ZINC000062708222 521874247 /nfs/dbraw/zinc/87/42/47/521874247.db2.gz HYSMXWVDNNDTFP-LLVKDONJSA-N 0 3 268.307 2.308 10 0 CEAEHN COCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052808812 521939600 /nfs/dbraw/zinc/93/96/00/521939600.db2.gz WVNVISGPSQVDOE-UONOGXRCSA-N 0 3 296.798 2.367 10 0 CEAEHN C[NH2+]C(C)(C)c1nc2cc(Br)cnc2[n-]1 ZINC000061149865 521947600 /nfs/dbraw/zinc/94/76/00/521947600.db2.gz RCOAZYWMSNFTIQ-UHFFFAOYSA-N 0 3 269.146 2.175 10 0 CEAEHN CNC(C)(C)c1nc2cc(Br)cnc2[nH]1 ZINC000061149865 521947610 /nfs/dbraw/zinc/94/76/10/521947610.db2.gz RCOAZYWMSNFTIQ-UHFFFAOYSA-N 0 3 269.146 2.175 10 0 CEAEHN COCC[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000052790767 521948616 /nfs/dbraw/zinc/94/86/16/521948616.db2.gz GJTRVDBITMCNOH-QMMMGPOBSA-N 0 3 299.783 2.252 10 0 CEAEHN COCC[C@H](N)c1nc(-c2c(F)cccc2F)c[nH]1 ZINC000052811233 521951300 /nfs/dbraw/zinc/95/13/00/521951300.db2.gz RMCMAPVYKAZIBG-JTQLQIEISA-N 0 3 267.279 2.391 10 0 CEAEHN COC(=O)c1ccc(CN[C@H](C)[C@H]2CCCO2)cc1F ZINC000183156645 522038758 /nfs/dbraw/zinc/03/87/58/522038758.db2.gz JBKMFSLFLWIWJU-QMTHXVAHSA-N 0 3 281.327 2.269 10 0 CEAEHN CCc1csc([C@H]2CCCN(CCC(=O)OC)C2)n1 ZINC000157817555 522118249 /nfs/dbraw/zinc/11/82/49/522118249.db2.gz YPNUJEUWDLRVSQ-NSHDSACASA-N 0 3 282.409 2.448 10 0 CEAEHN CC[C@@H](C)N1CCN([C@H]2CCCCC[C@@H]2O)CC1 ZINC000055069776 522130878 /nfs/dbraw/zinc/13/08/78/522130878.db2.gz LQETYSAFNPJACY-ILXRZTDVSA-N 0 3 254.418 2.096 10 0 CEAEHN CC[C@@H](C)N1CCN(c2cc(C)nc(Cl)n2)CC1 ZINC000055084619 522133531 /nfs/dbraw/zinc/13/35/31/522133531.db2.gz QGSUUKUTEWCAKY-LLVKDONJSA-N 0 3 268.792 2.359 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ncc(CNC)cc2Cl)CC1 ZINC000055073411 522137557 /nfs/dbraw/zinc/13/75/57/522137557.db2.gz KIYHJGPTUNHWJT-GFCCVEGCSA-N 0 3 296.846 2.375 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531986 522302761 /nfs/dbraw/zinc/30/27/61/522302761.db2.gz CLRNWNHDQXUCBS-NOZJJQNGSA-N 0 3 250.342 2.316 10 0 CEAEHN CN[C@@H](CCn1c2ccccc2c2ccccc21)C(N)=O ZINC000062535879 522350567 /nfs/dbraw/zinc/35/05/67/522350567.db2.gz YKFPJVLSBHMOEQ-AWEZNQCLSA-N 0 3 281.359 2.258 10 0 CEAEHN CN[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000061626928 522394718 /nfs/dbraw/zinc/39/47/18/522394718.db2.gz LYZMFDKTZCQGND-LLVKDONJSA-N 0 3 272.270 2.026 10 0 CEAEHN CN[C@@H]1COc2cc(OCc3cscn3)ccc21 ZINC000062804181 522401413 /nfs/dbraw/zinc/40/14/13/522401413.db2.gz HPWBHMHVKDBQHX-GFCCVEGCSA-N 0 3 262.334 2.375 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1OCCC(=O)OC ZINC000069317763 522447554 /nfs/dbraw/zinc/44/75/54/522447554.db2.gz SHJOKUGBQMYBMR-LLVKDONJSA-N 0 3 251.326 2.217 10 0 CEAEHN CN[C@H](c1cc(OC)c(OC)cc1F)[C@H]1CCOC1 ZINC000061561009 522477544 /nfs/dbraw/zinc/47/75/44/522477544.db2.gz XSVMVZHGLMOHEG-XPTSAGLGSA-N 0 3 269.316 2.140 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000062806586 522482918 /nfs/dbraw/zinc/48/29/18/522482918.db2.gz PWASLMXQXZHRLR-GOEBONIOSA-N 0 3 274.364 2.035 10 0 CEAEHN CC[C@H](NCc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000061677396 522646583 /nfs/dbraw/zinc/64/65/83/522646583.db2.gz VHUAICDEPHPFLO-JTQLQIEISA-N 0 3 260.259 2.059 10 0 CEAEHN CC[C@@H](NC(=O)[C@@H](N)CCSC)c1cccs1 ZINC000049532153 522760366 /nfs/dbraw/zinc/76/03/66/522760366.db2.gz IXJSLAGTDYJYQZ-VHSXEESVSA-N 0 3 272.439 2.396 10 0 CEAEHN CN(CCOCC(F)(F)F)Cc1ccccc1N ZINC000049311273 522887936 /nfs/dbraw/zinc/88/79/36/522887936.db2.gz MVRFLBMPUVDDGG-UHFFFAOYSA-N 0 3 262.275 2.280 10 0 CEAEHN COCC1CCN([C@@H](CN)c2cc(F)ccc2F)CC1 ZINC000070080571 522937192 /nfs/dbraw/zinc/93/71/92/522937192.db2.gz SOPYVXBBYQVWEX-HNNXBMFYSA-N 0 3 284.350 2.323 10 0 CEAEHN CCc1oc2ccccc2c1[C@@H](N)[C@@H]1COCCO1 ZINC000061876846 523010232 /nfs/dbraw/zinc/01/02/32/523010232.db2.gz MJGHZQHMXQNZBR-ZFWWWQNUSA-N 0 3 261.321 2.410 10 0 CEAEHN CC[C@@H](Oc1ccc(Cl)cc1[C@@H](C)N)C(N)=O ZINC000061676041 523042424 /nfs/dbraw/zinc/04/24/24/523042424.db2.gz KCPNGWWYHXMWIS-GMSGAONNSA-N 0 3 256.733 2.002 10 0 CEAEHN COCc1ccccc1NC(=O)[C@@H]1CCC[C@H](C)N1 ZINC000049512015 523121408 /nfs/dbraw/zinc/12/14/08/523121408.db2.gz GSUHVKSIATXVNM-FZMZJTMJSA-N 0 3 262.353 2.302 10 0 CEAEHN CN(Cc1cccc(F)c1)c1ncc(CN)s1 ZINC000054894829 523314835 /nfs/dbraw/zinc/31/48/35/523314835.db2.gz RGKQMBUMUMHKDQ-UHFFFAOYSA-N 0 3 251.330 2.377 10 0 CEAEHN CC[C@H]1COCCN1Cc1occc1CNC1CC1 ZINC000052481434 523335185 /nfs/dbraw/zinc/33/51/85/523335185.db2.gz GIVISFBLKXNPDG-AWEZNQCLSA-N 0 3 264.369 2.142 10 0 CEAEHN CN(Cc1cccnc1C(N)=S)C1CCCCC1 ZINC000061659652 523421470 /nfs/dbraw/zinc/42/14/70/523421470.db2.gz CRGVFRVHCQAVML-UHFFFAOYSA-N 0 3 263.410 2.480 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CNCc2ccccc21 ZINC000069266131 523507709 /nfs/dbraw/zinc/50/77/09/523507709.db2.gz ZEALLKRYSMKHKZ-JGGQBBKZSA-N 0 3 260.381 2.330 10 0 CEAEHN CC[C@@H]1CSC(N[C@H](C)CN2CCCCC2)=N1 ZINC000049502344 523519949 /nfs/dbraw/zinc/51/99/49/523519949.db2.gz XFEKWZVCGAIXDA-VXGBXAGGSA-N 0 3 255.431 2.332 10 0 CEAEHN CCn1ccnc1Cn1nc(C)c(CNC2CC2)c1C ZINC000054743860 523548500 /nfs/dbraw/zinc/54/85/00/523548500.db2.gz FNLNEZQNQOFPIN-UHFFFAOYSA-N 0 3 273.384 2.017 10 0 CEAEHN CCn1ccnc1[C@H](Cc1ccc(OC)cc1)NC ZINC000069497951 523555145 /nfs/dbraw/zinc/55/51/45/523555145.db2.gz FYHHYDIAINJCNO-AWEZNQCLSA-N 0 3 259.353 2.415 10 0 CEAEHN CN(Cc1nccn1C)[C@@H](CN)c1cc2ccccc2o1 ZINC000068811993 523593818 /nfs/dbraw/zinc/59/38/18/523593818.db2.gz FYEUWVHDPLOCCM-ZDUSSCGKSA-N 0 3 284.363 2.298 10 0 CEAEHN COCCN(C)CCN[C@@H]1CSCc2ccccc21 ZINC000061377468 523609927 /nfs/dbraw/zinc/60/99/27/523609927.db2.gz CCDGRYILYOPWCD-OAHLLOKOSA-N 0 3 280.437 2.142 10 0 CEAEHN COCCN(Cc1occc1CNC(C)C)C1CC1 ZINC000052542406 523779437 /nfs/dbraw/zinc/77/94/37/523779437.db2.gz CNUXLALJZCJEDS-UHFFFAOYSA-N 0 3 266.385 2.388 10 0 CEAEHN COc1ccc(C)cc1CN(C)C[C@@H](C)C(N)=S ZINC000050704074 523807549 /nfs/dbraw/zinc/80/75/49/523807549.db2.gz GSSHUFHJWKACRB-LLVKDONJSA-N 0 3 266.410 2.358 10 0 CEAEHN COC(=O)[C@@](C)(C[C@@H](C)N1CCCCC1)NC(C)C ZINC000068620294 523814688 /nfs/dbraw/zinc/81/46/88/523814688.db2.gz SFTAQPRJJARDDM-UKRRQHHQSA-N 0 3 270.417 2.181 10 0 CEAEHN COC(=O)[C@@](CN1CCC(C)(C)CC1)(NC(C)C)C1CC1 ZINC000069232048 523822763 /nfs/dbraw/zinc/82/27/63/523822763.db2.gz UIPBTUMCJVGPLW-KRWDZBQOSA-N 0 3 296.455 2.428 10 0 CEAEHN COCCNCc1cnc(-c2cc(F)c(F)c(F)c2)nc1 ZINC000054856877 523955963 /nfs/dbraw/zinc/95/59/63/523955963.db2.gz RNOUOHVBRIEEGD-UHFFFAOYSA-N 0 3 297.280 2.297 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(CO)cc2C)CC1 ZINC000055068059 523960145 /nfs/dbraw/zinc/96/01/45/523960145.db2.gz NXMTZCBWRUBAKW-AWEZNQCLSA-N 0 3 262.397 2.408 10 0 CEAEHN CNC(=O)CCCOc1ccc(Cl)cc1[C@@H](C)N ZINC000068816667 524065626 /nfs/dbraw/zinc/06/56/26/524065626.db2.gz QJCJWLUKQBTVPP-SECBINFHSA-N 0 3 270.760 2.265 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051096535 524143457 /nfs/dbraw/zinc/14/34/57/524143457.db2.gz BZUYAZYQCXOIIE-KCJUWKMLSA-N 0 3 282.775 2.329 10 0 CEAEHN C[C@H]1CCC[C@H](C)N1Cc1cccnc1C(N)=S ZINC000061659671 524191380 /nfs/dbraw/zinc/19/13/80/524191380.db2.gz CHWIPGYNMNMFNC-QWRGUYRKSA-N 0 3 263.410 2.479 10 0 CEAEHN COc1ccc(Cl)cc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000062672110 524195056 /nfs/dbraw/zinc/19/50/56/524195056.db2.gz JRVJUFUTEGGXSI-VHSXEESVSA-N 0 3 282.771 2.171 10 0 CEAEHN C[C@@H]1CCCN(c2nc3ccccn3c2CN)[C@@H]1C ZINC000050566079 524248362 /nfs/dbraw/zinc/24/83/62/524248362.db2.gz XIJPNBBPCJTDCE-VXGBXAGGSA-N 0 3 258.369 2.418 10 0 CEAEHN C[C@@H]1CCCN[C@@H]1C(=O)Nc1cccc(F)c1F ZINC000051793214 524262816 /nfs/dbraw/zinc/26/28/16/524262816.db2.gz QPTSCZUWEAEYLN-PELKAZGASA-N 0 3 254.280 2.291 10 0 CEAEHN C[C@H](CN1CCCCC1)N[C@@H](C)C(=O)N1CCCCCC1 ZINC000049501680 524334064 /nfs/dbraw/zinc/33/40/64/524334064.db2.gz MBPATAJYGMKRFJ-CVEARBPZSA-N 0 3 295.471 2.242 10 0 CEAEHN Cc1cccc(CSC[C@@](C)(NC(C)C)C(N)=O)c1 ZINC000054966391 524461333 /nfs/dbraw/zinc/46/13/33/524461333.db2.gz CJLDHJSGGMGBHQ-OAHLLOKOSA-N 0 3 280.437 2.470 10 0 CEAEHN COc1ccccc1Cc1ncc([C@@H](C)N)c(C)n1 ZINC000054962580 524518978 /nfs/dbraw/zinc/51/89/78/524518978.db2.gz JDRZNETWFGJDBL-SNVBAGLBSA-N 0 3 257.337 2.404 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1ccc(Cl)cc1N ZINC000049149111 524590293 /nfs/dbraw/zinc/59/02/93/524590293.db2.gz TULHUCIFLKNNLJ-JTQLQIEISA-N 0 3 281.787 2.136 10 0 CEAEHN C[C@@H](CN1CCCCC1)NCC(=O)Nc1ccc(F)cc1 ZINC000049501823 524604515 /nfs/dbraw/zinc/60/45/15/524604515.db2.gz YENSYQNYUXEZPD-ZDUSSCGKSA-N 0 3 293.386 2.228 10 0 CEAEHN C[C@H](Cc1cccc(Cl)c1)NCc1cn(C)nn1 ZINC000054859673 524714323 /nfs/dbraw/zinc/71/43/23/524714323.db2.gz DVEZGEWSNVNWEY-SNVBAGLBSA-N 0 3 264.760 2.189 10 0 CEAEHN C[C@H]1COCCN1[C@@H](CN)c1cc2ccccc2o1 ZINC000068811169 524723180 /nfs/dbraw/zinc/72/31/80/524723180.db2.gz TZYXCKABYFZAAB-AAEUAGOBSA-N 0 3 260.337 2.153 10 0 CEAEHN C[C@H]1COCCN1Cc1csc(CNC(C)(C)C)n1 ZINC000052475703 524724100 /nfs/dbraw/zinc/72/41/00/524724100.db2.gz GGEULOJJSXDTSI-NSHDSACASA-N 0 3 283.441 2.252 10 0 CEAEHN Cc1cccc(OC[C@@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069197419 524759698 /nfs/dbraw/zinc/75/96/98/524759698.db2.gz GVXLFPPXFGQFAG-INIZCTEOSA-N 0 3 276.380 2.006 10 0 CEAEHN Cc1ccc(F)c([C@@H](N)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000052981721 524834970 /nfs/dbraw/zinc/83/49/70/524834970.db2.gz QOMAQHBZKOVTNT-AWEZNQCLSA-N 0 3 271.295 2.352 10 0 CEAEHN COc1ccc(O[C@@H]2CCOC2=O)c(CNCC(C)C)c1 ZINC000062727642 524983900 /nfs/dbraw/zinc/98/39/00/524983900.db2.gz YIQBWDSQBNOFBF-OAHLLOKOSA-N 0 3 293.363 2.135 10 0 CEAEHN C[C@@H]1CN(c2nc(C3CC3)c(CN)s2)C[C@H](C)O1 ZINC000069146666 525072604 /nfs/dbraw/zinc/07/26/04/525072604.db2.gz FKBJYFHEHMIAHC-DTORHVGOSA-N 0 3 267.398 2.093 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000069133484 525100597 /nfs/dbraw/zinc/10/05/97/525100597.db2.gz WNJUCSLFGHWXMJ-LBJZDRIZSA-N 0 3 291.439 2.347 10 0 CEAEHN C[C@](O)(CN)c1cc2cc(Br)ccc2o1 ZINC000055032530 525165618 /nfs/dbraw/zinc/16/56/18/525165618.db2.gz HXFPUIIFKYOSJR-NSHDSACASA-N 0 3 270.126 2.362 10 0 CEAEHN Cc1ccccc1OC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069197465 525310381 /nfs/dbraw/zinc/31/03/81/525310381.db2.gz IXYBCAXCVJKVGV-INIZCTEOSA-N 0 3 276.380 2.006 10 0 CEAEHN COc1ccc([C@H](O)c2cnccc2N)cc1OC(F)F ZINC000070319162 525379054 /nfs/dbraw/zinc/37/90/54/525379054.db2.gz NTSDXXNIULLJJZ-ZDUSSCGKSA-N 0 3 296.273 2.356 10 0 CEAEHN C[C@@H](NCCN1CCOCC1)c1cnc2ccsc2c1 ZINC000068690454 525448951 /nfs/dbraw/zinc/44/89/51/525448951.db2.gz MLIPVZPTAKFNRH-GFCCVEGCSA-N 0 3 291.420 2.279 10 0 CEAEHN CSCCCN[C@@H](C)C(=O)NC1CCCCC1 ZINC000069446496 525481644 /nfs/dbraw/zinc/48/16/44/525481644.db2.gz OIQPYLRMVJGNFO-NSHDSACASA-N 0 3 258.431 2.167 10 0 CEAEHN CSCCCN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000069433968 525484746 /nfs/dbraw/zinc/48/47/46/525484746.db2.gz BCKCTHLJPCSDKK-LBPRGKRZSA-N 0 3 285.434 2.248 10 0 CEAEHN CSC[C@@H](C)CNCc1cnc2cc(C)nn2c1 ZINC000069440118 525624479 /nfs/dbraw/zinc/62/44/79/525624479.db2.gz KHJDIKOWUVDLOS-JTQLQIEISA-N 0 3 264.398 2.126 10 0 CEAEHN C[C@@H](O)CN(C)c1nc2sccn2c1CNC(C)(C)C ZINC000062738149 525784113 /nfs/dbraw/zinc/78/41/13/525784113.db2.gz HVFKBLZAUMLVJM-SNVBAGLBSA-N 0 3 296.440 2.101 10 0 CEAEHN Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(CN)c2)o1 ZINC000049204510 525933323 /nfs/dbraw/zinc/93/33/23/525933323.db2.gz HVIMLBAMIJWXNH-NSHDSACASA-N 0 3 294.376 2.086 10 0 CEAEHN COc1cccc(CNC(C)(C)C)c1OC[C@@H](C)O ZINC000062732218 526009156 /nfs/dbraw/zinc/00/91/56/526009156.db2.gz CAZSTHJKTJQZMC-LLVKDONJSA-N 0 3 267.369 2.343 10 0 CEAEHN COc1cccc(CNC(C)(C)C)c1O[C@H]1CCOC1=O ZINC000062732233 526010643 /nfs/dbraw/zinc/01/06/43/526010643.db2.gz ZTUGRFRWNWXZPH-ZDUSSCGKSA-N 0 3 293.363 2.278 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2cc(F)c(F)c(F)c2)C1 ZINC000062707713 526308850 /nfs/dbraw/zinc/30/88/50/526308850.db2.gz KEABKHNERXOYEJ-UWVGGRQHSA-N 0 3 259.271 2.497 10 0 CEAEHN O=C(NCc1ccc(F)cc1F)c1ccc2c(c1)CNC2 ZINC000156751526 526678192 /nfs/dbraw/zinc/67/81/92/526678192.db2.gz RGJKLBBATFZIHR-UHFFFAOYSA-N 0 3 288.297 2.498 10 0 CEAEHN Cc1oc(CN2CCS(=O)CC2)cc1CNC(C)(C)C ZINC000052516216 526770514 /nfs/dbraw/zinc/77/05/14/526770514.db2.gz MUPKAILHHCWCBH-UHFFFAOYSA-N 0 3 298.452 2.040 10 0 CEAEHN Cc1nc(N(C)C2CCN(C)CC2)sc1[C@H](C)O ZINC000054910214 526950051 /nfs/dbraw/zinc/95/00/51/526950051.db2.gz MIRJBGWAQGTSSO-JTQLQIEISA-N 0 3 269.414 2.035 10 0 CEAEHN NC(=O)[C@@](CSc1ccccc1F)(NC1CC1)C1CC1 ZINC000069186336 526989202 /nfs/dbraw/zinc/98/92/02/526989202.db2.gz SEBMVKIMFUOEAG-HNNXBMFYSA-N 0 3 294.395 2.304 10 0 CEAEHN NC(=O)[C@@](N)(CSc1cccc(Cl)c1)C1CC1 ZINC000069189531 526990972 /nfs/dbraw/zinc/99/09/72/526990972.db2.gz IYPPSGLUHHQMFU-GFCCVEGCSA-N 0 3 270.785 2.025 10 0 CEAEHN NC(=O)[C@H](NCC1CC1)c1csc2ccccc21 ZINC000054464986 526996430 /nfs/dbraw/zinc/99/64/30/526996430.db2.gz AZHHCCLRUDWEHI-CYBMUJFWSA-N 0 3 260.362 2.427 10 0 CEAEHN NC(=O)[C@](CSCc1ccccc1)(NC1CC1)C1CC1 ZINC000069185908 527016256 /nfs/dbraw/zinc/01/62/56/527016256.db2.gz KGDIBPMWEFDGBU-MRXNPFEDSA-N 0 3 290.432 2.306 10 0 CEAEHN O=C1NCCCC[C@H]1N[C@H](c1cccs1)C1CC1 ZINC000051100089 527062756 /nfs/dbraw/zinc/06/27/56/527062756.db2.gz YWHLUDSOYRCEPK-YPMHNXCESA-N 0 3 264.394 2.458 10 0 CEAEHN NC[C@@H](c1cc2ccccc2o1)N1CCn2ccnc2C1 ZINC000068811985 527206076 /nfs/dbraw/zinc/20/60/76/527206076.db2.gz XRRGSOTTXZBQKL-ZDUSSCGKSA-N 0 3 282.347 2.145 10 0 CEAEHN NC[C@@](O)(c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000062784744 527220401 /nfs/dbraw/zinc/22/04/01/527220401.db2.gz MXXVQUXCYGRJFZ-MRVPVSSYSA-N 0 3 289.175 2.294 10 0 CEAEHN O=S(=O)(Nc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000069052845 527250056 /nfs/dbraw/zinc/25/00/56/527250056.db2.gz YUCYEVDUYVULOT-UHFFFAOYSA-N 0 3 294.420 2.407 10 0 CEAEHN NCc1cccc(NC(=O)c2ccc3c(c2)CCO3)c1 ZINC000050891878 527260148 /nfs/dbraw/zinc/26/01/48/527260148.db2.gz OIQOTSNINSYVLW-UHFFFAOYSA-N 0 3 268.316 2.333 10 0 CEAEHN NCc1ccnc(Cc2cccc(Br)c2)n1 ZINC000054791076 527262519 /nfs/dbraw/zinc/26/25/19/527262519.db2.gz GLGBKCILVCZADF-UHFFFAOYSA-N 0 3 278.153 2.289 10 0 CEAEHN NCc1oc2ccccc2c1CN1CCSCC1 ZINC000052425559 527267687 /nfs/dbraw/zinc/26/76/87/527267687.db2.gz DIGICBQMMXRXLQ-UHFFFAOYSA-N 0 3 262.378 2.440 10 0 CEAEHN N[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000052886929 527338916 /nfs/dbraw/zinc/33/89/16/527338916.db2.gz OGROMRUDUAMFCL-NSHDSACASA-N 0 3 264.126 2.287 10 0 CEAEHN Cn1nccc1[C@@H](N)Cc1ccccc1Br ZINC000069021684 527623853 /nfs/dbraw/zinc/62/38/53/527623853.db2.gz HHFNWROPFWWERJ-NSHDSACASA-N 0 3 280.169 2.425 10 0 CEAEHN Cc1nn(C)c(N(C)C2CCOCC2)c1CNCC(C)C ZINC000062736278 527670010 /nfs/dbraw/zinc/67/00/10/527670010.db2.gz QVDMMNLIGAQLDY-UHFFFAOYSA-N 0 3 294.443 2.089 10 0 CEAEHN Cc1nn(C)c(N2C[C@H](C)OC[C@@H]2C)c1CNCC(C)C ZINC000062735847 527676518 /nfs/dbraw/zinc/67/65/18/527676518.db2.gz YBOUWBDNQLFQNZ-STQMWFEESA-N 0 3 294.443 2.088 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000262469651 535675103 /nfs/dbraw/zinc/67/51/03/535675103.db2.gz NLIQJYCLCPVWOX-FYYVMTAXSA-N 0 3 296.436 2.071 10 0 CEAEHN COC(=O)[C@@H](C)[C@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000093036263 536443649 /nfs/dbraw/zinc/44/36/49/536443649.db2.gz LDMKKGXILAFFBU-GJZGRUSLSA-N 0 3 290.407 2.315 10 0 CEAEHN COc1cccc(N2CCN([C@H]3CCC[C@H](O)C3)CC2)c1 ZINC000093731526 537124805 /nfs/dbraw/zinc/12/48/05/537124805.db2.gz XQBZWRHWFPYHFA-HOCLYGCPSA-N 0 3 290.407 2.121 10 0 CEAEHN CCC1(C)CCN(S(=O)(=O)C[C@H](N)CC(C)C)CC1 ZINC000757154384 574511147 /nfs/dbraw/zinc/51/11/47/574511147.db2.gz XTJAQNIEWLDZCY-CYBMUJFWSA-N 0 3 290.473 2.202 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C\c2cccs2)C1 ZINC000255054766 622915168 /nfs/dbraw/zinc/91/51/68/622915168.db2.gz ODOBOUKXHLCNSQ-QDZRJHCZSA-N 0 3 264.394 2.362 10 0 CEAEHN O[C@@H](CN[C@@H]1COc2ccccc21)CC(F)(F)F ZINC000307951753 623468536 /nfs/dbraw/zinc/46/85/36/623468536.db2.gz VDVHLSSVLAALRI-PSASIEDQSA-N 0 3 261.243 2.023 10 0 CEAEHN CC(C)(C)C(=O)CCN1CCN2CCCC[C@@H]2C1 ZINC000094442367 624146217 /nfs/dbraw/zinc/14/62/17/624146217.db2.gz UQDKDNJGNUQQNQ-CYBMUJFWSA-N 0 3 252.402 2.162 10 0 CEAEHN CCCCc1cc(NC(=O)[C@H](N)[C@H](C)CC)n[nH]1 ZINC000236887841 628728954 /nfs/dbraw/zinc/72/89/54/628728954.db2.gz XKKABOYJLSOUTN-BXKDBHETSA-N 0 3 252.362 2.064 10 0 CEAEHN N[C@H](C(=O)NCC1CCCCCCC1)C1CCOCC1 ZINC000261868420 629288628 /nfs/dbraw/zinc/28/86/28/629288628.db2.gz SSYKOKPBVFBEFM-HNNXBMFYSA-N 0 3 282.428 2.217 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000034939070 361799021 /nfs/dbraw/zinc/79/90/21/361799021.db2.gz BHUOJUTVIWWRLN-KWQFWETISA-N 0 3 251.717 2.266 10 0 CEAEHN CC(C)[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000121987011 365623806 /nfs/dbraw/zinc/62/38/06/365623806.db2.gz OLIBJDLRTDOKNP-QWHCGFSZSA-N 0 3 269.410 2.483 10 0 CEAEHN CN[C@@H](c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000082998671 178333494 /nfs/dbraw/zinc/33/34/94/178333494.db2.gz HAYAOPNIWFZNSN-GMSGAONNSA-N 0 3 279.814 2.097 10 0 CEAEHN CC(C)N1CCN(c2ccc(Cl)cc2N)CC1 ZINC000036170619 361834755 /nfs/dbraw/zinc/83/47/55/361834755.db2.gz PTLRZVHCXRPXQI-UHFFFAOYSA-N 0 3 253.777 2.453 10 0 CEAEHN Cc1ccc2c(c1Br)NC[C@]21C[C@@H]1N ZINC000725246983 539192031 /nfs/dbraw/zinc/19/20/31/539192031.db2.gz CMFVQWWCTGCQRN-GZMMTYOYSA-N 0 3 253.143 2.152 10 0 CEAEHN Cc1cc2c(c(Br)c1)NC[C@@]21C[C@H]1N ZINC000725247756 539192667 /nfs/dbraw/zinc/19/26/67/539192667.db2.gz XBYWERQEVHGQDI-KOLCDFICSA-N 0 3 253.143 2.152 10 0 CEAEHN Brc1ccc(CN[C@@H]2COC[C@@H]2C2CC2)cn1 ZINC000725269669 539215093 /nfs/dbraw/zinc/21/50/93/539215093.db2.gz PEMYBKQZJTYZKH-VXGBXAGGSA-N 0 3 297.196 2.359 10 0 CEAEHN CC[C@H](SC)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000126167520 365699678 /nfs/dbraw/zinc/69/96/78/365699678.db2.gz PRBGUFWWZFVFEU-NEPJUHHUSA-N 0 3 260.447 2.221 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)nc1 ZINC000126320244 187232548 /nfs/dbraw/zinc/23/25/48/187232548.db2.gz PZRLAEPBZSXSBX-GFCCVEGCSA-N 0 3 280.347 2.169 10 0 CEAEHN CCC[C@@H](C(=O)NCCCOC1CCCC1)N(C)C ZINC000126359270 365708511 /nfs/dbraw/zinc/70/85/11/365708511.db2.gz JHMBTNAQQBAAEA-AWEZNQCLSA-N 0 3 270.417 2.182 10 0 CEAEHN CC(C)CCNC(=O)[C@H](C)NCCc1cccs1 ZINC000034938580 343421374 /nfs/dbraw/zinc/42/13/74/343421374.db2.gz XMQQEIHTUVCPCR-LBPRGKRZSA-N 0 3 268.426 2.431 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000037003425 343424967 /nfs/dbraw/zinc/42/49/67/343424967.db2.gz NVAHFLMXQMNKNF-SWLSCSKDSA-N 0 3 286.379 2.243 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000037166304 343425965 /nfs/dbraw/zinc/42/59/65/343425965.db2.gz GZKLEJQLADTNFI-IAGOWNOFSA-N 0 3 285.391 2.325 10 0 CEAEHN COc1cc(OC)c(OC)cc1CN[C@H]1CCC[C@@H](O)C1 ZINC000037164495 343426130 /nfs/dbraw/zinc/42/61/30/343426130.db2.gz DMWVXVNQGQQWRM-QWHCGFSZSA-N 0 3 295.379 2.106 10 0 CEAEHN CCN(CC)c1ncc(CN[C@H]2CCC[C@@H](O)C2)s1 ZINC000037321087 343426675 /nfs/dbraw/zinc/42/66/75/343426675.db2.gz FVTODKCMJLCJDD-NWDGAFQWSA-N 0 3 283.441 2.382 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000082285413 282263788 /nfs/dbraw/zinc/26/37/88/282263788.db2.gz WIAHCZBAWGYPOQ-LBPRGKRZSA-N 0 3 252.745 2.116 10 0 CEAEHN Cc1cc(C)c(CN2CCO[C@H](CN(C)C)C2)c(C)c1 ZINC000128074457 365774772 /nfs/dbraw/zinc/77/47/72/365774772.db2.gz BECYAFHKVGTZMR-MRXNPFEDSA-N 0 3 276.424 2.374 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](CN(C)C)C2)o1 ZINC000128146383 187354228 /nfs/dbraw/zinc/35/42/28/187354228.db2.gz RTUWROCHDWCYCG-YUELXQCFSA-N 0 3 278.396 2.165 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2ccc(F)cc2Cl)CCO1 ZINC000128159824 187354497 /nfs/dbraw/zinc/35/44/97/187354497.db2.gz UZVJSBDPWBNWCS-CYBMUJFWSA-N 0 3 286.778 2.242 10 0 CEAEHN Cc1ccc([C@H](C)NCCN2C(=O)CCC2=O)c(C)c1 ZINC000089683037 344127950 /nfs/dbraw/zinc/12/79/50/344127950.db2.gz OLLAVCLTLUIGAG-ZDUSSCGKSA-N 0 3 274.364 2.103 10 0 CEAEHN Cc1cscc1CNC[C@H](O)COCc1ccco1 ZINC000094881072 344235462 /nfs/dbraw/zinc/23/54/62/344235462.db2.gz NXZHYFJSYKWWFZ-ZDUSSCGKSA-N 0 3 281.377 2.317 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2cccc(C)c2)C1 ZINC000135365179 344381617 /nfs/dbraw/zinc/38/16/17/344381617.db2.gz YQWFVPDINDTKPU-GOEBONIOSA-N 0 3 262.397 2.366 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1(C)CCCCN1 ZINC000136180921 344384232 /nfs/dbraw/zinc/38/42/32/344384232.db2.gz JORZQWCGKWWBOZ-NFAWXSAZSA-N 0 3 252.402 2.461 10 0 CEAEHN COc1ccc(CN2CCC3(COC3)CC2)c(OC)c1 ZINC000140176836 344397239 /nfs/dbraw/zinc/39/72/39/344397239.db2.gz YWYNLNBCJSRXHQ-UHFFFAOYSA-N 0 3 277.364 2.316 10 0 CEAEHN CC(C)(N)C(=O)Cc1cc(F)ccc1Br ZINC000168666665 344481121 /nfs/dbraw/zinc/48/11/21/344481121.db2.gz WKTZRFCKJLVENI-UHFFFAOYSA-N 0 3 274.133 2.437 10 0 CEAEHN NC[C@H](N)c1cc(Br)c(Cl)s1 ZINC000227862292 344556961 /nfs/dbraw/zinc/55/69/61/344556961.db2.gz DMVRUKKXTWUHMR-BYPYZUCNSA-N 0 3 255.568 2.123 10 0 CEAEHN O[C@H](CNC[C@@H]1CCC2(CCCCC2)O1)C(F)(F)F ZINC000236540773 344595867 /nfs/dbraw/zinc/59/58/67/344595867.db2.gz ZWCJUVDJKXKNSA-WDEREUQCSA-N 0 3 281.318 2.381 10 0 CEAEHN Clc1nccc(N2CCN(C3CCCC3)CC2)n1 ZINC000052064212 362464104 /nfs/dbraw/zinc/46/41/04/362464104.db2.gz SNDRLPJIBLUPGA-UHFFFAOYSA-N 0 3 266.776 2.195 10 0 CEAEHN CCN(C[C@H]1CCCO1)C[C@](C)(O)c1ccccc1 ZINC000052097196 362464992 /nfs/dbraw/zinc/46/49/92/362464992.db2.gz ZEBKUEYOMKPUSP-CVEARBPZSA-N 0 3 263.381 2.395 10 0 CEAEHN NCc1cc(Br)cc(OC(F)(F)F)n1 ZINC000238629958 344607164 /nfs/dbraw/zinc/60/71/64/344607164.db2.gz JBISQSQJSBOLQB-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN O[C@H]1CC[C@H](NCc2cnc(Cl)nc2Cl)CC1 ZINC000257353089 344647626 /nfs/dbraw/zinc/64/76/26/344647626.db2.gz PHSQHOLQIPUAAZ-KYZUINATSA-N 0 3 276.167 2.177 10 0 CEAEHN C[C@H]1CCC[C@@]1(N)c1ncc(Br)cn1 ZINC000307252301 344721237 /nfs/dbraw/zinc/72/12/37/344721237.db2.gz RWYVCAKGTYCMNS-XVKPBYJWSA-N 0 3 256.147 2.213 10 0 CEAEHN CN(Cc1cccc(C(N)=O)c1)C[C@@H]1CCc2nccn2C1 ZINC000328639053 344757069 /nfs/dbraw/zinc/75/70/69/344757069.db2.gz PJYHNIRQDSFCBO-AWEZNQCLSA-N 0 3 298.390 2.461 10 0 CEAEHN CN(Cc1cccc2c1OCO2)C[C@@H]1CCc2nccn2C1 ZINC000328657011 344758249 /nfs/dbraw/zinc/75/82/49/344758249.db2.gz ZXEWTEIMQOQKQB-ZDUSSCGKSA-N 0 3 299.374 2.306 10 0 CEAEHN COC(=O)c1ccc(CNC[C@H](O)C(C)(C)C)cc1F ZINC000324509099 344754194 /nfs/dbraw/zinc/75/41/94/344754194.db2.gz MKHJVUICCRVVAY-ZDUSSCGKSA-N 0 3 283.343 2.109 10 0 CEAEHN CCCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000392927754 344839825 /nfs/dbraw/zinc/83/98/25/344839825.db2.gz CXZRRRPIDTYNEX-SWLSCSKDSA-N 0 3 276.380 2.232 10 0 CEAEHN COc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000584633716 344970457 /nfs/dbraw/zinc/97/04/57/344970457.db2.gz JCIYXQUNIYISDV-JKSUJKDBSA-N 0 3 298.386 2.298 10 0 CEAEHN CCO[C@@H]1CNC[C@H](Oc2ccccc2)[C@H]1c1cnco1 ZINC000584651230 344973667 /nfs/dbraw/zinc/97/36/67/344973667.db2.gz DVZXOVOEAOZSPQ-VNQPRFMTSA-N 0 3 288.347 2.214 10 0 CEAEHN C[C@H](C[C@](C)(N)C(N)=O)Sc1ccc2c(c1)CCC2 ZINC000084350345 178863221 /nfs/dbraw/zinc/86/32/21/178863221.db2.gz JQLHKOXZMHXQQK-BMIGLBTASA-N 0 3 278.421 2.249 10 0 CEAEHN C[C@@H]1C[C@H](C)Cc2nc(N3CCNCC3)sc21 ZINC000084468562 178892235 /nfs/dbraw/zinc/89/22/35/178892235.db2.gz MXFAZYXDUQCNKV-VHSXEESVSA-N 0 3 251.399 2.239 10 0 CEAEHN CCOc1cc2c(cc1[C@H](CN)OCC)O[C@@H](C)C2 ZINC000097328979 185585625 /nfs/dbraw/zinc/58/56/25/185585625.db2.gz QSBQHKNLHNBBKU-BONVTDFDSA-N 0 3 265.353 2.445 10 0 CEAEHN Cc1nn(C)c(Cl)c1C[C@H](N)c1cncc(F)c1 ZINC000097414999 185598830 /nfs/dbraw/zinc/59/88/30/185598830.db2.gz SERNILMRYJBUJN-NSHDSACASA-N 0 3 268.723 2.159 10 0 CEAEHN COc1cnn(C)c1[C@@H](N)[C@@H]1Cc2ccccc2S1 ZINC000097448649 185607051 /nfs/dbraw/zinc/60/70/51/185607051.db2.gz CEYQSXBAEXJARV-STQMWFEESA-N 0 3 275.377 2.146 10 0 CEAEHN Cc1cnn(CCN[C@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000179452713 232393571 /nfs/dbraw/zinc/39/35/71/232393571.db2.gz NPMKOTRSVYUOCN-CYBMUJFWSA-N 0 3 298.394 2.202 10 0 CEAEHN N[C@](CO)(COc1ccc(F)cc1)c1ccccc1 ZINC000085285127 179002663 /nfs/dbraw/zinc/00/26/63/179002663.db2.gz OFCJOSYLCXCWHL-OAHLLOKOSA-N 0 3 261.296 2.051 10 0 CEAEHN CCN[C@](CO)(CSCCCOC)c1ccccc1 ZINC000085289979 179005873 /nfs/dbraw/zinc/00/58/73/179005873.db2.gz BYYNNARRIOKTMC-OAHLLOKOSA-N 0 3 283.437 2.253 10 0 CEAEHN CN[C@@](CO)(CSC1CCOCC1)c1ccccc1 ZINC000085290135 179006450 /nfs/dbraw/zinc/00/64/50/179006450.db2.gz QHEFQALTLLLMBV-HNNXBMFYSA-N 0 3 281.421 2.006 10 0 CEAEHN Cc1ccc(OC[C@](O)(CN)c2ccccc2)cc1 ZINC000085305940 179012145 /nfs/dbraw/zinc/01/21/45/179012145.db2.gz XUXZRLCSTUYTEP-MRXNPFEDSA-N 0 3 257.333 2.220 10 0 CEAEHN NC[C@](O)(COc1ccccc1F)c1ccccc1 ZINC000085306912 179012596 /nfs/dbraw/zinc/01/25/96/179012596.db2.gz WBVLOXGEEVQFJO-HNNXBMFYSA-N 0 3 261.296 2.051 10 0 CEAEHN CN[C@H](C)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)c1 ZINC000085405204 179054599 /nfs/dbraw/zinc/05/45/99/179054599.db2.gz ZICSLRGCPWZXJS-WQAKAFBOSA-N 0 3 272.348 2.112 10 0 CEAEHN CCN(CC)c1ccc(-n2cnc3c2CCNC3)cc1 ZINC000085567392 179095348 /nfs/dbraw/zinc/09/53/48/179095348.db2.gz DTZXJDBKPCAJOQ-UHFFFAOYSA-N 0 3 270.380 2.364 10 0 CEAEHN CCN1CCC[C@H](n2c(CC(C)C)nc3c2CCNC3)C1 ZINC000085572785 179098798 /nfs/dbraw/zinc/09/87/98/179098798.db2.gz OKVRWMHMJPLBMZ-AWEZNQCLSA-N 0 3 290.455 2.384 10 0 CEAEHN CN1CCC[C@@H](n2c3c(nc2C2CCCC2)CNCC3)C1 ZINC000085606877 179100106 /nfs/dbraw/zinc/10/01/06/179100106.db2.gz BLEPIFPDBLKDDM-CQSZACIVSA-N 0 3 288.439 2.453 10 0 CEAEHN Cc1cc(CNC2CC(O)C2)ccc1Br ZINC000085707044 179121576 /nfs/dbraw/zinc/12/15/76/179121576.db2.gz JPCOQZMFNSVQDN-UHFFFAOYSA-N 0 3 270.170 2.370 10 0 CEAEHN CS[C@H](C)CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000163576893 136553155 /nfs/dbraw/zinc/55/31/55/136553155.db2.gz JNWNNKCSUIPMJG-ZYHUDNBSSA-N 0 3 264.394 2.435 10 0 CEAEHN C[C@@H](O)c1cc(F)ccc1N1CCN(C)C(C)(C)C1 ZINC000104138523 136554261 /nfs/dbraw/zinc/55/42/61/136554261.db2.gz WUIOCGIWDWXQSR-LLVKDONJSA-N 0 3 266.360 2.409 10 0 CEAEHN Cc1nc(NC(=O)[C@H](N)C(C)C)ccc1Br ZINC000085729054 179131678 /nfs/dbraw/zinc/13/16/78/179131678.db2.gz AXVQDAFPIYMLQB-SNVBAGLBSA-N 0 3 286.173 2.074 10 0 CEAEHN CN(C)C[C@@H](O)Cc1ccc(F)cc1Br ZINC000085794520 179173324 /nfs/dbraw/zinc/17/33/24/179173324.db2.gz MNFMQIOZQLDEDQ-JTQLQIEISA-N 0 3 276.149 2.053 10 0 CEAEHN Cc1nc(CN(C)C[C@H]2Cc3ccccc3CN2C)c[nH]1 ZINC000065385670 362815527 /nfs/dbraw/zinc/81/55/27/362815527.db2.gz DGAFLTHJOFDPEM-QGZVFWFLSA-N 0 3 284.407 2.207 10 0 CEAEHN Cc1ncc(CN(C)C[C@H]2Cc3ccccc3CN2C)[nH]1 ZINC000065385670 362815530 /nfs/dbraw/zinc/81/55/30/362815530.db2.gz DGAFLTHJOFDPEM-QGZVFWFLSA-N 0 3 284.407 2.207 10 0 CEAEHN O=C(CNC[C@H]1CCCC[C@H]1O)Nc1ccccc1Cl ZINC000085987656 179213092 /nfs/dbraw/zinc/21/30/92/179213092.db2.gz MBFQPYVHJFASJF-BXUZGUMPSA-N 0 3 296.798 2.419 10 0 CEAEHN N[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000086020263 179218124 /nfs/dbraw/zinc/21/81/24/179218124.db2.gz JYKGUWLCPPISNZ-CPCISQLKSA-N 0 3 294.203 2.428 10 0 CEAEHN c1coc(CCN2CCN[C@H](c3ccccc3)C2)c1 ZINC000086142810 179237725 /nfs/dbraw/zinc/23/77/25/179237725.db2.gz ZYGXOESBUHRPAF-INIZCTEOSA-N 0 3 256.349 2.469 10 0 CEAEHN CC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(CN)c2)[C@@H]1C ZINC000086091580 179228740 /nfs/dbraw/zinc/22/87/40/179228740.db2.gz OYNPTOYOMCRTSJ-UXIGCNINSA-N 0 3 296.436 2.248 10 0 CEAEHN CC[C@@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H]1C ZINC000086094721 179229445 /nfs/dbraw/zinc/22/94/45/179229445.db2.gz ZQECPIFGWYDRLV-XABYNWHXSA-N 0 3 290.407 2.203 10 0 CEAEHN CCC[C@@H](COC)N1CCN[C@H](c2ccccc2)C1 ZINC000086150391 179240838 /nfs/dbraw/zinc/24/08/38/179240838.db2.gz SDWOVYBHWKKBES-HOTGVXAUSA-N 0 3 262.397 2.448 10 0 CEAEHN COCCNC/C=C/c1ccc(Br)o1 ZINC000086228403 179254334 /nfs/dbraw/zinc/25/43/34/179254334.db2.gz FZIHUWRGQBCMTH-NSCUHMNNSA-N 0 3 260.131 2.291 10 0 CEAEHN CN(C[C@@H]1CCCN1C)c1nc(Br)cs1 ZINC000086291441 179265263 /nfs/dbraw/zinc/26/52/63/179265263.db2.gz AZJMMUUAVNRXMG-QMMMGPOBSA-N 0 3 290.230 2.436 10 0 CEAEHN C[C@H]1[C@@H](C)S(=O)(=O)c2c(Cl)cccc2[C@@H]1N ZINC000086308943 179268507 /nfs/dbraw/zinc/26/85/07/179268507.db2.gz JBUKTKAAUDHQIP-NYNCVSEMSA-N 0 3 259.758 2.152 10 0 CEAEHN O=S1(=O)CCC(NCc2cc(Cl)cs2)CC1 ZINC000086332384 179273225 /nfs/dbraw/zinc/27/32/25/179273225.db2.gz HZTBECHWZJUGDU-UHFFFAOYSA-N 0 3 279.814 2.068 10 0 CEAEHN Cn1ccnc1CCNCc1cc(Cl)cs1 ZINC000086332556 179273825 /nfs/dbraw/zinc/27/38/25/179273825.db2.gz SBPJPWRNLRTEAQ-UHFFFAOYSA-N 0 3 255.774 2.467 10 0 CEAEHN CN[C@H]1CCCc2sc(N3CCCO[C@@H](C)C3)nc21 ZINC000086444004 179293424 /nfs/dbraw/zinc/29/34/24/179293424.db2.gz CEBMAWQYGUPLDB-QWRGUYRKSA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(C)oc2C)[C@@H](CC)CN1 ZINC000086447249 179296006 /nfs/dbraw/zinc/29/60/06/179296006.db2.gz ANTDOWBPJQHMNN-OLZOCXBDSA-N 0 3 264.369 2.499 10 0 CEAEHN CCN[C@@H]1CCCc2sc(N3CCN(CC)CC3)nc21 ZINC000086442000 179293958 /nfs/dbraw/zinc/29/39/58/179293958.db2.gz CRPLFOVXTIUMBK-GFCCVEGCSA-N 0 3 294.468 2.272 10 0 CEAEHN CN[C@@H]1CCCc2sc(N(C)C[C@@H]3CCCO3)nc21 ZINC000086443534 179294165 /nfs/dbraw/zinc/29/41/65/179294165.db2.gz RWESDBPDWHPKRP-WDEREUQCSA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@H](CC)CN1 ZINC000086446333 179294687 /nfs/dbraw/zinc/29/46/87/179294687.db2.gz SVOIOBMFOQNCOY-HUUCEWRRSA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@H]1CN(C(=O)Cc2ccccc2)[C@@H](CC)CN1 ZINC000086446915 179295899 /nfs/dbraw/zinc/29/58/99/179295899.db2.gz VYIOHYZWQJZVPW-GJZGRUSLSA-N 0 3 260.381 2.218 10 0 CEAEHN C[C@]1(c2nc([C@H]3Cc4ccccc43)no2)CCCN1 ZINC000086486594 179302035 /nfs/dbraw/zinc/30/20/35/179302035.db2.gz LYWHRNMTZFRKSK-SWLSCSKDSA-N 0 3 255.321 2.356 10 0 CEAEHN CCn1c(CNCCc2c[nH]cn2)nc2ccccc21 ZINC000086507181 179303430 /nfs/dbraw/zinc/30/34/30/179303430.db2.gz PUEJFWUZNDQNEV-UHFFFAOYSA-N 0 3 269.352 2.112 10 0 CEAEHN COC(OC)[C@H](N)Cc1ccc(F)c(Br)c1 ZINC000086451787 179296431 /nfs/dbraw/zinc/29/64/31/179296431.db2.gz OPTYWUOGGJTSBY-SNVBAGLBSA-N 0 3 292.148 2.077 10 0 CEAEHN C[C@H]1CN(c2cscc2Br)CCN1 ZINC000086556317 179307657 /nfs/dbraw/zinc/30/76/57/179307657.db2.gz DUPJXTRYLPBNGR-ZETCQYMHSA-N 0 3 261.188 2.309 10 0 CEAEHN O[C@H](CNC1CC1)c1cscc1Br ZINC000086558345 179308162 /nfs/dbraw/zinc/30/81/62/179308162.db2.gz GGUGIRBWBGKSMZ-SECBINFHSA-N 0 3 262.172 2.296 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1ccc(OC)c(Cl)c1 ZINC000086586532 179309840 /nfs/dbraw/zinc/30/98/40/179309840.db2.gz YKCONTLJRNWARW-OCCSQVGLSA-N 0 3 298.814 2.459 10 0 CEAEHN Cc1nc(SCc2ccnc(C(=N)N)c2)nc(C)c1C ZINC000086643835 179315770 /nfs/dbraw/zinc/31/57/70/179315770.db2.gz IFWGFOBSBMONTO-UHFFFAOYSA-N 0 3 287.392 2.373 10 0 CEAEHN Cc1cccc(CCN[C@@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086675838 179319504 /nfs/dbraw/zinc/31/95/04/179319504.db2.gz DGHKEQNESBOHND-HUUCEWRRSA-N 0 3 281.421 2.093 10 0 CEAEHN NN=c1[nH]cc(CN2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000086767403 179326197 /nfs/dbraw/zinc/32/61/97/179326197.db2.gz XMPJUJHGVPWPOG-GHMZBOCLSA-N 0 3 266.414 2.441 10 0 CEAEHN COC(=O)[C@@]1(Nc2ccc(F)cc2)CCCN(C)CC1 ZINC000086833207 179348758 /nfs/dbraw/zinc/34/87/58/179348758.db2.gz OKSFEDQSFYTAPE-OAHLLOKOSA-N 0 3 280.343 2.265 10 0 CEAEHN CC[C@](C)(N)C(=O)Nc1cc(C)c(Br)cn1 ZINC000086808686 179340506 /nfs/dbraw/zinc/34/05/06/179340506.db2.gz JVSBBHDRTXTGDV-NSHDSACASA-N 0 3 286.173 2.218 10 0 CEAEHN CC[NH+](CC)[C@]1(C(=O)[O-])CCCN(C(C)C)CC1 ZINC000086867798 179360655 /nfs/dbraw/zinc/36/06/55/179360655.db2.gz ODPJPTZSVGQBML-CQSZACIVSA-N 0 3 256.390 2.046 10 0 CEAEHN CCN1CCC[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086868698 179361666 /nfs/dbraw/zinc/36/16/66/179361666.db2.gz LSNMBZULYDDLLA-MOKVOYLWSA-N 0 3 268.401 2.094 10 0 CEAEHN CC(C)C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(C)C)CC1 ZINC000086869091 179361910 /nfs/dbraw/zinc/36/19/10/179361910.db2.gz LENUKLLHCORLMA-AWEZNQCLSA-N 0 3 270.417 2.292 10 0 CEAEHN CC(C)C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(C)C)CC1 ZINC000086869091 179361913 /nfs/dbraw/zinc/36/19/13/179361913.db2.gz LENUKLLHCORLMA-AWEZNQCLSA-N 0 3 270.417 2.292 10 0 CEAEHN CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086869160 179362520 /nfs/dbraw/zinc/36/25/20/179362520.db2.gz ZRYUMUXUCGSNNU-MELADBBJSA-N 0 3 268.401 2.094 10 0 CEAEHN CC[N@@H+]1CCC[C@@](NCc2ccccc2)(C(=O)[O-])CC1 ZINC000086849884 179358657 /nfs/dbraw/zinc/35/86/57/179358657.db2.gz KPNBCLFKHPKQRZ-INIZCTEOSA-N 0 3 276.380 2.105 10 0 CEAEHN CC[N@H+]1CCC[C@@](NCc2ccccc2)(C(=O)[O-])CC1 ZINC000086849884 179358659 /nfs/dbraw/zinc/35/86/59/179358659.db2.gz KPNBCLFKHPKQRZ-INIZCTEOSA-N 0 3 276.380 2.105 10 0 CEAEHN CCN1CCC[C@@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849884 179358661 /nfs/dbraw/zinc/35/86/61/179358661.db2.gz KPNBCLFKHPKQRZ-INIZCTEOSA-N 0 3 276.380 2.105 10 0 CEAEHN COC(=O)C[C@](C)(N)c1ccc(Br)cc1 ZINC000086851576 179359445 /nfs/dbraw/zinc/35/94/45/179359445.db2.gz ATCAGCZBJYMTBX-NSHDSACASA-N 0 3 272.142 2.186 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](NC)c1ccccc1OC ZINC000086978360 179372386 /nfs/dbraw/zinc/37/23/86/179372386.db2.gz YZRIAMSQQQDMJV-ZDUSSCGKSA-N 0 3 285.409 2.171 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(C)C)CCC[C@H](C)CC1 ZINC000086891992 179366226 /nfs/dbraw/zinc/36/62/26/179366226.db2.gz OXTPMPFXSZNCHB-DZGCQCFKSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(C)C)CCC[C@H](CC)CC1 ZINC000086915944 179367182 /nfs/dbraw/zinc/36/71/82/179367182.db2.gz VIAWLYLBTMGEQY-HOCLYGCPSA-N 0 3 284.444 2.430 10 0 CEAEHN CCC[C@H]1CCC[C@](NCCN(C)C)(C(=O)OC)CC1 ZINC000086949892 179369070 /nfs/dbraw/zinc/36/90/70/179369070.db2.gz WFAOADSZRPTFJC-GOEBONIOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCC(O)(CC)CN[C@@H](C)C(=O)Nc1ccccc1 ZINC000087028590 179381666 /nfs/dbraw/zinc/38/16/66/179381666.db2.gz LBMLNLCKRPTDKH-LBPRGKRZSA-N 0 3 264.369 2.154 10 0 CEAEHN CCc1cc(NN)nc(-c2ccc(OC)c(F)c2)n1 ZINC000086994246 179375962 /nfs/dbraw/zinc/37/59/62/179375962.db2.gz OWXAKBCGKPWJHX-UHFFFAOYSA-N 0 3 262.288 2.139 10 0 CEAEHN COc1ccc([C@H]2[C@@H](N)CCC(=O)N2CC(C)C)cc1F ZINC000086995208 179376067 /nfs/dbraw/zinc/37/60/67/179376067.db2.gz LKDZZIIELZSZJO-BBRMVZONSA-N 0 3 294.370 2.481 10 0 CEAEHN CC(C)CSCc1nc(C[NH2+]C(C)C)cc(=O)[n-]1 ZINC000087126391 179396166 /nfs/dbraw/zinc/39/61/66/179396166.db2.gz IVANPOROQRCSBF-UHFFFAOYSA-N 0 3 269.414 2.157 10 0 CEAEHN COC[C@H](C)N(C)Cc1csc(CNC(C)(C)C)n1 ZINC000052511276 522596835 /nfs/dbraw/zinc/59/68/35/522596835.db2.gz AOZFJWHGRPYAFI-NSHDSACASA-N 0 3 285.457 2.498 10 0 CEAEHN CC(C)(C)N1CCN[C@H](c2cccc3ccnnc32)C1 ZINC000616634158 348542053 /nfs/dbraw/zinc/54/20/53/348542053.db2.gz MUEWAEXZUVARCX-AWEZNQCLSA-N 0 3 270.380 2.375 10 0 CEAEHN c1n[nH]cc1[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000616651581 348548539 /nfs/dbraw/zinc/54/85/39/348548539.db2.gz CAZVYZOENHNEMQ-HNNXBMFYSA-N 0 3 257.337 2.373 10 0 CEAEHN CCOC(=O)c1ccccc1[C@@H]1CCCN(CCO)C1 ZINC000616611762 348534087 /nfs/dbraw/zinc/53/40/87/348534087.db2.gz VBQSUVUPFFTIKH-CYBMUJFWSA-N 0 3 277.364 2.035 10 0 CEAEHN OCCN1CCC[C@H](c2ccc3cccnc3c2)C1 ZINC000616618536 348535567 /nfs/dbraw/zinc/53/55/67/348535567.db2.gz YXDFBDWDQDSOBG-HNNXBMFYSA-N 0 3 256.349 2.407 10 0 CEAEHN CCc1nc([C@@H]2COc3ccccc3C2)nc(NN)c1C ZINC000088038861 179537718 /nfs/dbraw/zinc/53/77/18/179537718.db2.gz FOQHUJCUBDYODK-LBPRGKRZSA-N 0 3 284.363 2.352 10 0 CEAEHN CN[C@H](CCc1ccc(OC)cc1)c1ccn(C)n1 ZINC000088105586 179550008 /nfs/dbraw/zinc/55/00/08/179550008.db2.gz JNJIISOKCBLTSX-CQSZACIVSA-N 0 3 259.353 2.322 10 0 CEAEHN NC1(C(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000088130273 179553881 /nfs/dbraw/zinc/55/38/81/179553881.db2.gz KCOOEJJMSOEYLM-UHFFFAOYSA-N 0 3 259.334 2.240 10 0 CEAEHN Nc1cccc([C@H]2COCCN(Cc3ccccc3)C2)n1 ZINC000616663485 348553608 /nfs/dbraw/zinc/55/36/08/348553608.db2.gz QDABDECJILIOMV-OAHLLOKOSA-N 0 3 283.375 2.280 10 0 CEAEHN O=C(CN[C@@H]1CC=CCC1)Nc1ccc2c(c1)OCCO2 ZINC000088748469 179663973 /nfs/dbraw/zinc/66/39/73/179663973.db2.gz FGGCBZPXDIXBNE-GFCCVEGCSA-N 0 3 288.347 2.095 10 0 CEAEHN CCN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089134417 179714320 /nfs/dbraw/zinc/71/43/20/179714320.db2.gz IORCRZXYUQUEFD-BXUZGUMPSA-N 0 3 292.379 2.077 10 0 CEAEHN Cc1csc2nc(C)c(CNC[C@@H]3CCC[C@H]3O)n12 ZINC000089161937 179730194 /nfs/dbraw/zinc/73/01/94/179730194.db2.gz FZCVKKRTPGWYEC-WCQYABFASA-N 0 3 279.409 2.263 10 0 CEAEHN CCc1nn(C)c(CN[C@@H](C)CCOC)c1Cl ZINC000089319225 179768590 /nfs/dbraw/zinc/76/85/90/179768590.db2.gz WRKDXALLJIQAHV-VIFPVBQESA-N 0 3 259.781 2.151 10 0 CEAEHN C[C@@H]1CN(CC2(O)CCC2)CCN1Cc1ccccc1 ZINC000411118452 233220446 /nfs/dbraw/zinc/22/04/46/233220446.db2.gz XJEKBCQPZVPZPI-OAHLLOKOSA-N 0 3 274.408 2.108 10 0 CEAEHN [NH3+]Cc1cc(=O)[n-]c(CSc2ccccc2Cl)n1 ZINC000090235316 179937205 /nfs/dbraw/zinc/93/72/05/179937205.db2.gz VUFIKXVVIADNGN-UHFFFAOYSA-N 0 3 281.768 2.174 10 0 CEAEHN CCCCOc1ccc(CN[C@H]2CCOC[C@H]2O)cc1 ZINC000623763804 350105702 /nfs/dbraw/zinc/10/57/02/350105702.db2.gz QDUFDRNCEPTYFW-JKSUJKDBSA-N 0 3 279.380 2.105 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1ccc(F)c(C(F)(F)F)c1 ZINC000623767296 350107364 /nfs/dbraw/zinc/10/73/64/350107364.db2.gz TXNISVUSEQWPHE-NWDGAFQWSA-N 0 3 293.260 2.084 10 0 CEAEHN Cc1ccc2c(c1)nc([C@@]1(C)COC[C@H]1N)n2C1CC1 ZINC000090571707 180007635 /nfs/dbraw/zinc/00/76/35/180007635.db2.gz XAYTYTVQBKOAJM-ZBFHGGJFSA-N 0 3 271.364 2.295 10 0 CEAEHN Cc1cccc(C(C)C)c1NC(=O)[C@@]1(C)COC[C@H]1N ZINC000090580752 180008806 /nfs/dbraw/zinc/00/88/06/180008806.db2.gz ONLZSOYVNGGFCO-CJNGLKHVSA-N 0 3 276.380 2.421 10 0 CEAEHN CCC[C@H](NC(=O)[C@@]1(C)COC[C@@H]1N)c1cccs1 ZINC000090600535 180010924 /nfs/dbraw/zinc/01/09/24/180010924.db2.gz NUCQBYDDWKOVAB-JKOKRWQUSA-N 0 3 282.409 2.069 10 0 CEAEHN C[C@@H](OCCn1cc(CNC(C)(C)C)nn1)C(F)(F)F ZINC000090675447 180022250 /nfs/dbraw/zinc/02/22/50/180022250.db2.gz XZLMYFXKYUJGDM-SECBINFHSA-N 0 3 294.321 2.134 10 0 CEAEHN CCOc1ncnc(NC[C@@H]2CCCCN2C)c1C ZINC000090791180 180042928 /nfs/dbraw/zinc/04/29/28/180042928.db2.gz DUNQBJKVRXVZKK-LBPRGKRZSA-N 0 3 264.373 2.080 10 0 CEAEHN COc1ccc([C@H](C)NC[C@@H](C)[S@](C)=O)cc1 ZINC000090843427 180044222 /nfs/dbraw/zinc/04/42/22/180044222.db2.gz CFSRQQAITAUHKH-VGTOOOLASA-N 0 3 255.383 2.113 10 0 CEAEHN CC(C)NCc1ccnn1C[C@H]1Cc2ccccc2O1 ZINC000090877783 180052211 /nfs/dbraw/zinc/05/22/11/180052211.db2.gz GIVBVFOMEUSTKW-OAHLLOKOSA-N 0 3 271.364 2.385 10 0 CEAEHN CCCNCc1ccnn1C[C@H]1Cc2ccccc2O1 ZINC000090877781 180052385 /nfs/dbraw/zinc/05/23/85/180052385.db2.gz NLNDGROJOBVYEJ-OAHLLOKOSA-N 0 3 271.364 2.386 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H]1CCC[C@H](O)C1 ZINC000090960129 180075328 /nfs/dbraw/zinc/07/53/28/180075328.db2.gz JWCIYKIVCMYMMX-QWRGUYRKSA-N 0 3 268.382 2.100 10 0 CEAEHN Nc1ccsc1CNC[C@H]1COc2ccccc2O1 ZINC000090959169 180075743 /nfs/dbraw/zinc/07/57/43/180075743.db2.gz RFCMAAKHFIMBKB-JTQLQIEISA-N 0 3 276.361 2.260 10 0 CEAEHN Nc1ccccc1CNCc1ccc2c(c1)OCO2 ZINC000090961200 180075917 /nfs/dbraw/zinc/07/59/17/180075917.db2.gz APDWAQFCHYLZGA-UHFFFAOYSA-N 0 3 256.305 2.287 10 0 CEAEHN Nc1ccccc1CN[C@@H]1CCC[C@@H]1n1ccnc1 ZINC000090961939 180076115 /nfs/dbraw/zinc/07/61/15/180076115.db2.gz DCGGDHLBLQQWJY-CABCVRRESA-N 0 3 256.353 2.349 10 0 CEAEHN NCc1ccccc1NC(=O)[C@@H]1Cc2ccccc21 ZINC000090985574 180081030 /nfs/dbraw/zinc/08/10/30/180081030.db2.gz RYNMBVYLYUQYIU-CQSZACIVSA-N 0 3 252.317 2.424 10 0 CEAEHN NC(=O)c1ccc(CNC[C@H]2Cc3ccccc32)c(F)c1 ZINC000090992739 180082200 /nfs/dbraw/zinc/08/22/00/180082200.db2.gz LJNFHSSSOMXBOH-CQSZACIVSA-N 0 3 284.334 2.354 10 0 CEAEHN CCNCc1cccn1CC(=O)Nc1ccccc1F ZINC000090995963 180083482 /nfs/dbraw/zinc/08/34/82/180083482.db2.gz WDGSBKZQFQIURH-UHFFFAOYSA-N 0 3 275.327 2.375 10 0 CEAEHN COCCNCc1cccn1CCOCCC(C)C ZINC000091002093 180084079 /nfs/dbraw/zinc/08/40/79/180084079.db2.gz LRMSTJLCIGFTOD-UHFFFAOYSA-N 0 3 268.401 2.287 10 0 CEAEHN CCCn1ccc(CN[C@@H](CC(C)C)C(=O)NC)c1 ZINC000091012125 180086431 /nfs/dbraw/zinc/08/64/31/180086431.db2.gz XIOLBIPDSLDBPV-AWEZNQCLSA-N 0 3 265.401 2.148 10 0 CEAEHN C[C@@H]1CC[C@@H](c2noc(C[C@@H]3CSCCN3)n2)C1 ZINC000091129247 180100849 /nfs/dbraw/zinc/10/08/49/180100849.db2.gz UZPFGXULERNTSN-GMTAPVOTSA-N 0 3 267.398 2.221 10 0 CEAEHN C[C@@H]1CC[C@H](OC(=O)C[C@@H]2CSCCN2)C[C@@H]1C ZINC000091130087 180101131 /nfs/dbraw/zinc/10/11/31/180101131.db2.gz BSJBCHMOVUPYEF-XQHKEYJVSA-N 0 3 271.426 2.449 10 0 CEAEHN CCC1CCC(NC(=O)C[C@@H]2CSCCN2)CC1 ZINC000091138587 180105845 /nfs/dbraw/zinc/10/58/45/180105845.db2.gz FOOKKNMPRZQTOA-WXRRBKDZSA-N 0 3 270.442 2.167 10 0 CEAEHN CCCCn1ncc(CNCCOC)c1CCC ZINC000091337677 180136326 /nfs/dbraw/zinc/13/63/26/180136326.db2.gz PBMHLYCMNGAWLW-UHFFFAOYSA-N 0 3 253.390 2.372 10 0 CEAEHN FC(F)c1c(CNC2CC2)cnn1-c1ccccn1 ZINC000091335630 180136372 /nfs/dbraw/zinc/13/63/72/180136372.db2.gz OTUGFXIYOSEWAF-UHFFFAOYSA-N 0 3 264.279 2.457 10 0 CEAEHN Cc1ccc2nnc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2n1 ZINC000091355289 180139177 /nfs/dbraw/zinc/13/91/77/180139177.db2.gz QMDRJCADWMAFQQ-AGIUHOORSA-N 0 3 271.368 2.416 10 0 CEAEHN COCCNCc1ccccc1SC[C@H](C)CO ZINC000091259767 180115780 /nfs/dbraw/zinc/11/57/80/180115780.db2.gz HEXBDWGFQMEDBT-GFCCVEGCSA-N 0 3 269.410 2.143 10 0 CEAEHN CC(C)(C)N1C(=O)CC[C@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275545 180118529 /nfs/dbraw/zinc/11/85/29/180118529.db2.gz VTRFWJPVOIIDSM-FZMZJTMJSA-N 0 3 276.384 2.007 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN([C@@H](CN)c2cncn2C2CC2)C1 ZINC000091276177 180119031 /nfs/dbraw/zinc/11/90/31/180119031.db2.gz DUBNAFMBSHIGJP-BZPMIXESSA-N 0 3 262.401 2.196 10 0 CEAEHN C[C@@H]1CC[C@H](C)N([C@@H](CN)c2cncn2C2CC2)C1 ZINC000091276678 180119564 /nfs/dbraw/zinc/11/95/64/180119564.db2.gz NBYDAZBTMHNWER-DYEKYZERSA-N 0 3 262.401 2.338 10 0 CEAEHN CC[C@H](C)CN(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276240 180119784 /nfs/dbraw/zinc/11/97/84/180119784.db2.gz QKZVQODYIMYQGN-AAEUAGOBSA-N 0 3 250.390 2.196 10 0 CEAEHN O[C@@H](c1cncn1C1CC1)[C@H]1NCCc2ccccc21 ZINC000091277386 180119941 /nfs/dbraw/zinc/11/99/41/180119941.db2.gz QCUBQQYUUYPSST-HOTGVXAUSA-N 0 3 269.348 2.138 10 0 CEAEHN CCC(CC)N(CCOC)[C@@H](CN)c1cncn1C1CC1 ZINC000091276435 180120396 /nfs/dbraw/zinc/12/03/96/180120396.db2.gz MLAZXQZHSLJGQA-HNNXBMFYSA-N 0 3 294.443 2.355 10 0 CEAEHN OC1CC(N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000091431620 180153634 /nfs/dbraw/zinc/15/36/34/180153634.db2.gz SPLMGJBUOAQDBB-CBINBANVSA-N 0 3 298.180 2.386 10 0 CEAEHN O=C(c1ccncc1Cl)N1CCNCC12CCCCC2 ZINC000091457101 180160306 /nfs/dbraw/zinc/16/03/06/180160306.db2.gz BZSDAJZFAMJDMH-UHFFFAOYSA-N 0 3 293.798 2.483 10 0 CEAEHN CCNCc1cncc(N2CCc3ccccc3CC2)n1 ZINC000091421973 180151353 /nfs/dbraw/zinc/15/13/53/180151353.db2.gz YAUWWYCEBURSTC-UHFFFAOYSA-N 0 3 282.391 2.191 10 0 CEAEHN CCn1cc([C@@H](NC)C(C)(C)N2CCCCC2)cn1 ZINC000091564949 180193594 /nfs/dbraw/zinc/19/35/94/180193594.db2.gz NJCDJQZHJBYFGK-CQSZACIVSA-N 0 3 264.417 2.428 10 0 CEAEHN CC(C)([C@@H](N)c1cnc2ccccc2c1)N1CCOCC1 ZINC000091566290 180193864 /nfs/dbraw/zinc/19/38/64/180193864.db2.gz ZHUZFMCRKVMKEN-INIZCTEOSA-N 0 3 285.391 2.345 10 0 CEAEHN CCOc1ccccc1[C@@H](N)C(C)(C)N1CCOCC1 ZINC000091566360 180194117 /nfs/dbraw/zinc/19/41/17/180194117.db2.gz QAQVUSRLQHUIBL-OAHLLOKOSA-N 0 3 278.396 2.196 10 0 CEAEHN CC[C@@](C)([C@@H](NC)c1ccccc1OC)N1CCOCC1 ZINC000091612279 180206962 /nfs/dbraw/zinc/20/69/62/180206962.db2.gz WKAWYGVVLNVOPA-IRXDYDNUSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCn1nccc1[C@H](NC)[C@](C)(CC)N1CCOCC1 ZINC000091612395 180207265 /nfs/dbraw/zinc/20/72/65/180207265.db2.gz OQRPACDJBHBCGQ-HOTGVXAUSA-N 0 3 294.443 2.055 10 0 CEAEHN Fc1cnc(Cl)nc1N1CC[C@@H](N2CCCCC2)C1 ZINC000091655682 180217623 /nfs/dbraw/zinc/21/76/23/180217623.db2.gz TVLXRPJXXATPLH-SNVBAGLBSA-N 0 3 284.766 2.334 10 0 CEAEHN CN1CCO[C@@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000091666790 180222626 /nfs/dbraw/zinc/22/26/26/180222626.db2.gz PJRFBFWLIYTPHJ-JKSUJKDBSA-N 0 3 278.371 2.197 10 0 CEAEHN CCN(CC)CCC(=O)c1cc(Cl)cnc1N ZINC000091688103 180226554 /nfs/dbraw/zinc/22/65/54/180226554.db2.gz IIUYCFKFHQHAIH-UHFFFAOYSA-N 0 3 255.749 2.232 10 0 CEAEHN CCCc1ccc([C@@H](NC)[C@@H]2CN(C)CCO2)cc1 ZINC000091717703 180232492 /nfs/dbraw/zinc/23/24/92/180232492.db2.gz ADINMKVAKXVBOM-JKSUJKDBSA-N 0 3 262.397 2.230 10 0 CEAEHN CCN[C@H](c1ccc(F)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718293 180233474 /nfs/dbraw/zinc/23/34/74/180233474.db2.gz SQUCSIIAUMCTJW-HUUCEWRRSA-N 0 3 266.360 2.115 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccc(Cl)c(F)c1 ZINC000624238165 350241187 /nfs/dbraw/zinc/24/11/87/350241187.db2.gz LRZWZZDWZCSGOO-CKLFPEKLSA-N 0 3 273.735 2.280 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccc(Cl)c(F)c1 ZINC000624238166 350241326 /nfs/dbraw/zinc/24/13/26/350241326.db2.gz LRZWZZDWZCSGOO-HJIKLVIJSA-N 0 3 273.735 2.280 10 0 CEAEHN CN[C@H](c1cc(C)ccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721297 180238632 /nfs/dbraw/zinc/23/86/32/180238632.db2.gz SRGDNMSPRJLSRQ-HYVNUMGLSA-N 0 3 274.408 2.427 10 0 CEAEHN CCN[C@@H]1CC(C)(C)Cc2nc(CN(C)C)ncc21 ZINC000091722680 180239703 /nfs/dbraw/zinc/23/97/03/180239703.db2.gz CFTYQNTVKBSSOM-GFCCVEGCSA-N 0 3 262.401 2.161 10 0 CEAEHN COC(=O)c1ccc([C@H](C)N(C)C2CCN(C)CC2)o1 ZINC000091780222 180252525 /nfs/dbraw/zinc/25/25/25/180252525.db2.gz GRULNNODAMQKIF-NSHDSACASA-N 0 3 280.368 2.153 10 0 CEAEHN COC(=O)c1ccc([C@H](C)N(C)C2CCOCC2)o1 ZINC000091780670 180252988 /nfs/dbraw/zinc/25/29/88/180252988.db2.gz IOKNXLWOSXZBSW-JTQLQIEISA-N 0 3 267.325 2.238 10 0 CEAEHN CC(C)NCc1csc([C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722567 180240880 /nfs/dbraw/zinc/24/08/80/180240880.db2.gz QDTMKMJMNKWZDD-CHWSQXEVSA-N 0 3 281.425 2.177 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000624634361 350326669 /nfs/dbraw/zinc/32/66/69/350326669.db2.gz RPQPFTGYPPYBFE-CYBMUJFWSA-N 0 3 278.396 2.407 10 0 CEAEHN NCc1cc(NC(=O)N2CCCCC2)ccc1F ZINC000091969062 180294630 /nfs/dbraw/zinc/29/46/30/180294630.db2.gz DCOUFQUVBYHMOS-UHFFFAOYSA-N 0 3 251.305 2.302 10 0 CEAEHN FC(F)(F)c1cnc(NN2CCOCC2)c(Cl)c1 ZINC000105663168 186068107 /nfs/dbraw/zinc/06/81/07/186068107.db2.gz OVQMVCAGOVJENR-UHFFFAOYSA-N 0 3 281.665 2.413 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(C)nc1CNC ZINC000091994467 180301411 /nfs/dbraw/zinc/30/14/11/180301411.db2.gz AOITWEBUJYUDGT-GFCCVEGCSA-N 0 3 293.411 2.182 10 0 CEAEHN CCNC(=O)CCOc1ccc(C)nc1CNC(C)(C)C ZINC000091996263 180302078 /nfs/dbraw/zinc/30/20/78/180302078.db2.gz TYRNHDDBECCUHI-UHFFFAOYSA-N 0 3 293.411 2.183 10 0 CEAEHN CC[C@H](O)COc1ccc(C)nc1CNC(C)C ZINC000091995493 180302287 /nfs/dbraw/zinc/30/22/87/180302287.db2.gz XVEDPPRZUZKNHB-LBPRGKRZSA-N 0 3 252.358 2.038 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092023897 180308617 /nfs/dbraw/zinc/30/86/17/180308617.db2.gz AKFDVWFDIDQULI-KGLIPLIRSA-N 0 3 287.407 2.345 10 0 CEAEHN C[C@@H](O)CCC(=O)Nc1ccccc1CN1CCCC1 ZINC000092152909 180335267 /nfs/dbraw/zinc/33/52/67/180335267.db2.gz RACHOUSYMNMCOJ-CYBMUJFWSA-N 0 3 276.380 2.382 10 0 CEAEHN CC[C@@](C)(CO)NCc1cnc(C)n1-c1ccccc1 ZINC000092129125 180329746 /nfs/dbraw/zinc/32/97/46/180329746.db2.gz ZACPPJNZGYSQIU-INIZCTEOSA-N 0 3 273.380 2.431 10 0 CEAEHN Cc1c(N)cccc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000092080723 180318740 /nfs/dbraw/zinc/31/87/40/180318740.db2.gz GLUSFGJNFSTTEB-LOWVWBTDSA-N 0 3 275.396 2.492 10 0 CEAEHN Cc1nn(C)c(N2C[C@H](C)[C@H](C)C2)c1CNC(C)C ZINC000092086460 180320663 /nfs/dbraw/zinc/32/06/63/180320663.db2.gz RKZGDPSRNLTYFJ-TXEJJXNPSA-N 0 3 264.417 2.319 10 0 CEAEHN c1cnn(CC2CCN(CCc3ccccn3)CC2)c1 ZINC000105920159 186090272 /nfs/dbraw/zinc/09/02/72/186090272.db2.gz MKPQADOEYUHBGC-UHFFFAOYSA-N 0 3 270.380 2.233 10 0 CEAEHN C[C@@H](c1ccc(F)cc1)N1CCO[C@H](CN(C)C)C1 ZINC000105924227 186091211 /nfs/dbraw/zinc/09/12/11/186091211.db2.gz VRNJQLJQIBMKNY-SWLSCSKDSA-N 0 3 266.360 2.149 10 0 CEAEHN Cc1cc(C)cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000106097846 186101495 /nfs/dbraw/zinc/10/14/95/186101495.db2.gz NXAIZPBCOVDUKM-HZPDHXFCSA-N 0 3 276.424 2.190 10 0 CEAEHN Cc1cc(C)cc(CNC[C@H]2CN(C3CC3)CCO2)c1 ZINC000106379426 186112411 /nfs/dbraw/zinc/11/24/11/186112411.db2.gz QFDYPBBGZVBNEC-KRWDZBQOSA-N 0 3 274.408 2.256 10 0 CEAEHN Cc1ccc(C)c([C@@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000106388084 186112682 /nfs/dbraw/zinc/11/26/82/186112682.db2.gz RHGUNGFEQKEULV-HUUCEWRRSA-N 0 3 262.397 2.285 10 0 CEAEHN CCN[C@@]1(CC(=O)OC)CCCc2ccc(OC)cc21 ZINC000092390507 180375106 /nfs/dbraw/zinc/37/51/06/180375106.db2.gz KDXIXLNRFODHEC-MRXNPFEDSA-N 0 3 277.364 2.399 10 0 CEAEHN CCOc1cccc(CN[C@@H](CO)C(C)C)c1OC ZINC000092392014 180375869 /nfs/dbraw/zinc/37/58/69/180375869.db2.gz HRASXACDZRDAKK-ZDUSSCGKSA-N 0 3 267.369 2.200 10 0 CEAEHN CCn1nc(CN[C@H](CO)C(C)C)c2ccccc21 ZINC000092394919 180376610 /nfs/dbraw/zinc/37/66/10/180376610.db2.gz ANZGBJUWXPDOAL-CQSZACIVSA-N 0 3 261.369 2.163 10 0 CEAEHN CC(C)[C@H]1CO[C@@H](c2nc3ccccc3n2C)CN1 ZINC000092403210 180378022 /nfs/dbraw/zinc/37/80/22/180378022.db2.gz KOLQWLZWDRWZBX-TZMCWYRMSA-N 0 3 259.353 2.259 10 0 CEAEHN CCNc1ccnc(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000092418399 180381158 /nfs/dbraw/zinc/38/11/58/180381158.db2.gz CXJLVPZEUKXTSZ-LSDHHAIUSA-N 0 3 261.369 2.267 10 0 CEAEHN CCCNc1ccnc(CN2CCC[C@@H]2C(=O)OCC)c1 ZINC000092418333 180381349 /nfs/dbraw/zinc/38/13/49/180381349.db2.gz UYHZQEAQRZSHSH-OAHLLOKOSA-N 0 3 291.395 2.431 10 0 CEAEHN CNc1ccnc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000092418839 180382779 /nfs/dbraw/zinc/38/27/79/180382779.db2.gz QIXYURYIUZKOQT-LSDHHAIUSA-N 0 3 261.369 2.267 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@@H]1n1cccn1 ZINC000092385988 180373504 /nfs/dbraw/zinc/37/35/04/180373504.db2.gz XXEVSHXXNIAPOC-LSDHHAIUSA-N 0 3 257.337 2.340 10 0 CEAEHN COC[C@H](C)O[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092386845 180373726 /nfs/dbraw/zinc/37/37/26/180373726.db2.gz BZAGYTPUZCCUJG-VQISRLSMSA-N 0 3 265.353 2.061 10 0 CEAEHN CCN[C@H]1c2cc(OC)ccc2CC[C@H]1OCCOC ZINC000092386363 180373865 /nfs/dbraw/zinc/37/38/65/180373865.db2.gz KRIPJHZQNUWLAB-CVEARBPZSA-N 0 3 279.380 2.324 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@@H]1n1ccnc1 ZINC000092386049 180374048 /nfs/dbraw/zinc/37/40/48/180374048.db2.gz DOYRGZFOGRQMOV-LSDHHAIUSA-N 0 3 257.337 2.340 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](N1CCOCC1(C)C)CC2 ZINC000092385715 180374090 /nfs/dbraw/zinc/37/40/90/180374090.db2.gz MZWCHAJDXVIVIR-CVEARBPZSA-N 0 3 290.407 2.121 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2c(F)cccc2Cl)CCN1C ZINC000107908231 186197277 /nfs/dbraw/zinc/19/72/77/186197277.db2.gz URQKFQYWOIDMII-GWCFXTLKSA-N 0 3 285.794 2.115 10 0 CEAEHN Cc1nn(C)c2c1[nH]c(=S)n2[C@@H](CN(C)C)C(C)C ZINC000092538618 180401963 /nfs/dbraw/zinc/40/19/63/180401963.db2.gz XESJPFSYGILZMK-JTQLQIEISA-N 0 3 281.429 2.500 10 0 CEAEHN CSC[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000108959172 186237929 /nfs/dbraw/zinc/23/79/29/186237929.db2.gz GDRIMGYSSLVHQX-OCCSQVGLSA-N 0 3 280.437 2.405 10 0 CEAEHN CN1CCc2cc(-c3nc(NN)cc(C4CC4)n3)ccc21 ZINC000109528101 186259771 /nfs/dbraw/zinc/25/97/71/186259771.db2.gz LEHQLYWWCSSDLV-UHFFFAOYSA-N 0 3 281.363 2.299 10 0 CEAEHN CN(C)c1ccc(-c2nc(NN)cc(C3CC3)n2)cc1 ZINC000109528161 186260084 /nfs/dbraw/zinc/26/00/84/186260084.db2.gz RZVFZCBUUFYLFM-UHFFFAOYSA-N 0 3 269.352 2.373 10 0 CEAEHN NCc1cc(OC[C@H]2CCOC2)c2ccccc2n1 ZINC000109590749 186265083 /nfs/dbraw/zinc/26/50/83/186265083.db2.gz SWLWQNGFHGKBEC-NSHDSACASA-N 0 3 258.321 2.109 10 0 CEAEHN CCCN(CCN(C)C)c1cc(OC)c(F)cc1N ZINC000110627560 186306295 /nfs/dbraw/zinc/30/62/95/186306295.db2.gz BMICOIVTEPILKF-UHFFFAOYSA-N 0 3 269.364 2.195 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2Cc1cc(C)on1 ZINC000110629970 186307622 /nfs/dbraw/zinc/30/76/22/186307622.db2.gz CQBCFQOFIPYOMW-UHFFFAOYSA-N 0 3 276.271 2.111 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2C[C@@H]1CCCOC1 ZINC000110629982 186308137 /nfs/dbraw/zinc/30/81/37/186308137.db2.gz GNLPSFJXDQFORL-VIFPVBQESA-N 0 3 279.315 2.193 10 0 CEAEHN COc1ccc([C@@H](CN)NC(C)C)c(Cl)c1OC ZINC000110829459 186327618 /nfs/dbraw/zinc/32/76/18/186327618.db2.gz SKBTWZNTXNATEZ-SNVBAGLBSA-N 0 3 272.776 2.355 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN(C)CC1CCCC1)C(=O)[O-] ZINC000110841074 186328779 /nfs/dbraw/zinc/32/87/79/186328779.db2.gz GEVZDQZSUOCOAL-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110841074 186328781 /nfs/dbraw/zinc/32/87/81/186328781.db2.gz GEVZDQZSUOCOAL-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@@H+](C)CC1CCCC1)C(=O)[O-] ZINC000110841074 186328783 /nfs/dbraw/zinc/32/87/83/186328783.db2.gz GEVZDQZSUOCOAL-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(N)cc2Cl)CCN1C ZINC000110704284 186315062 /nfs/dbraw/zinc/31/50/62/186315062.db2.gz OYVPNXNBMRLLKW-ZDUSSCGKSA-N 0 3 267.804 2.448 10 0 CEAEHN Cc1ccc([C@H](O)CN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000110736634 186319490 /nfs/dbraw/zinc/31/94/90/186319490.db2.gz KTCXMKYXHNAZCB-MRXNPFEDSA-N 0 3 276.424 2.363 10 0 CEAEHN NC[C@@H](Oc1ccccc1CO)c1cccc(F)c1 ZINC000110993291 186341107 /nfs/dbraw/zinc/34/11/07/186341107.db2.gz GFKDPHIJYDDIAT-OAHLLOKOSA-N 0 3 261.296 2.397 10 0 CEAEHN CCNCc1cc(CN2CCN(C)C(C)(C)C2)oc1C ZINC000110755013 186319681 /nfs/dbraw/zinc/31/96/81/186319681.db2.gz WBCUQAWFMAUQDL-UHFFFAOYSA-N 0 3 279.428 2.224 10 0 CEAEHN C[C@H]1CN(Cc2ccoc2CNC(C)(C)C)CCN1C ZINC000110752302 186320249 /nfs/dbraw/zinc/32/02/49/186320249.db2.gz OBQZCUORBPJXOX-ZDUSSCGKSA-N 0 3 279.428 2.304 10 0 CEAEHN CC[C@@H]1CN(c2nc(C)c(CNC3CC3)s2)CCN1C ZINC000110760275 186323047 /nfs/dbraw/zinc/32/30/47/186323047.db2.gz HAPVRFKHHTYOAV-CYBMUJFWSA-N 0 3 294.468 2.234 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CCCCN1 ZINC000110777715 186324099 /nfs/dbraw/zinc/32/40/99/186324099.db2.gz QJJGFKNCSHYFHU-LLVKDONJSA-N 0 3 296.392 2.314 10 0 CEAEHN CCOc1ccccc1[C@H](CN)N(C)C[C@@H]1CCCOC1 ZINC000111157793 186362780 /nfs/dbraw/zinc/36/27/80/186362780.db2.gz JPVGUVPVIVLIMT-HOCLYGCPSA-N 0 3 292.423 2.444 10 0 CEAEHN CN(Cc1ccc(C(N)=S)cc1F)C[C@@H]1CCCOC1 ZINC000111163012 186363577 /nfs/dbraw/zinc/36/35/77/186363577.db2.gz YQOXFMISWSGTEA-NSHDSACASA-N 0 3 296.411 2.318 10 0 CEAEHN CCCOCCOC[C@@H](NC)c1ccccc1OC ZINC000111108017 186353216 /nfs/dbraw/zinc/35/32/16/186353216.db2.gz FDDLMRUKVNMHNH-CQSZACIVSA-N 0 3 267.369 2.399 10 0 CEAEHN CCOCCN(CC)[C@H](c1ccco1)[C@@H](N)CC ZINC000111116631 186353881 /nfs/dbraw/zinc/35/38/81/186353881.db2.gz OFZWXOBLUSXXIC-JSGCOSHPSA-N 0 3 254.374 2.416 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1c(F)cccc1F ZINC000111117534 186354536 /nfs/dbraw/zinc/35/45/36/186354536.db2.gz QQGCOVMHKPWRDG-ZDUSSCGKSA-N 0 3 272.339 2.323 10 0 CEAEHN CCOCCN(CC)[C@H](c1ccc(C)o1)[C@@H](C)N ZINC000111116837 186354980 /nfs/dbraw/zinc/35/49/80/186354980.db2.gz OFRUSBJXYZBRTR-OCCSQVGLSA-N 0 3 254.374 2.335 10 0 CEAEHN N[C@H](c1nc2c(s1)CCCC2)[C@H]1CCCOC1 ZINC000111322169 186397391 /nfs/dbraw/zinc/39/73/91/186397391.db2.gz VROQJBJWCNIYCO-CABZTGNLSA-N 0 3 252.383 2.448 10 0 CEAEHN NCc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)nc1 ZINC000111282170 186388099 /nfs/dbraw/zinc/38/80/99/186388099.db2.gz QCCKZUXCISNSDU-HNNXBMFYSA-N 0 3 273.380 2.335 10 0 CEAEHN CCN1CCC[C@H](Nc2ncnc(Cl)c2C)C1 ZINC000111297551 186391631 /nfs/dbraw/zinc/39/16/31/186391631.db2.gz ISYFQDHLCKDUMV-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN Cc1nc(Cl)c(C)c(N[C@H]2CCCN(C)C2)n1 ZINC000111296781 186392293 /nfs/dbraw/zinc/39/22/93/186392293.db2.gz HLLBFVZJFMFLEL-JTQLQIEISA-N 0 3 254.765 2.253 10 0 CEAEHN Cc1nc(Cl)c(C)c(OC2CCN(C)CC2)n1 ZINC000111294140 186392682 /nfs/dbraw/zinc/39/26/82/186392682.db2.gz SBILUBQWQZLFRB-UHFFFAOYSA-N 0 3 255.749 2.220 10 0 CEAEHN CN1CC[C@H](N)[C@@H]1c1cc(Br)cs1 ZINC000069798778 363001726 /nfs/dbraw/zinc/00/17/26/363001726.db2.gz LXRMFIRUVJRACC-IONNQARKSA-N 0 3 261.188 2.215 10 0 CEAEHN CCc1cc(N2CCNCC2)nc(-c2ccc(OC)cc2)n1 ZINC000070451632 363083651 /nfs/dbraw/zinc/08/36/51/363083651.db2.gz SRNSACKTLZORTA-UHFFFAOYSA-N 0 3 298.390 2.124 10 0 CEAEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3cccn3C)C2)n1 ZINC000122027248 187011187 /nfs/dbraw/zinc/01/11/87/187011187.db2.gz JKVAXALGAUSPSV-HNNXBMFYSA-N 0 3 287.411 2.146 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCn2cc(C)cn2)c1C ZINC000124080178 187121465 /nfs/dbraw/zinc/12/14/65/187121465.db2.gz YGKBDNLRLAZQNR-LBPRGKRZSA-N 0 3 275.400 2.376 10 0 CEAEHN CC[C@](C)(O)CN(C)CCOc1ccccc1F ZINC000123235392 187079883 /nfs/dbraw/zinc/07/98/83/187079883.db2.gz KNNRLMIDDKSTHQ-AWEZNQCLSA-N 0 3 255.333 2.297 10 0 CEAEHN CC[C@](C)(O)CN1CCN(c2cccs2)CC1 ZINC000123644212 187102124 /nfs/dbraw/zinc/10/21/24/187102124.db2.gz WIUKFKHEFZQKDS-ZDUSSCGKSA-N 0 3 254.399 2.031 10 0 CEAEHN CCc1ncsc1C(=O)N1C[C@H]2CCCN2C[C@@H]1CC ZINC000123645524 187102434 /nfs/dbraw/zinc/10/24/34/187102434.db2.gz LBCXFYQUENCEKF-NWDGAFQWSA-N 0 3 293.436 2.404 10 0 CEAEHN OC[C@@H]1CN(C[C@@H]2Cc3ccccc32)CCC1(F)F ZINC000291953082 198116365 /nfs/dbraw/zinc/11/63/65/198116365.db2.gz UPWXNEFKGBIKBN-STQMWFEESA-N 0 3 267.319 2.276 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@H](C2CC2)NC[C@@H]1C1CC1 ZINC000071372360 363108782 /nfs/dbraw/zinc/10/87/82/363108782.db2.gz LJTPAFSSEODCRE-CHWSQXEVSA-N 0 3 266.385 2.384 10 0 CEAEHN Cc1c(CNCC2(O)CCC(C)(C)CC2)cnn1C ZINC000093650346 539854136 /nfs/dbraw/zinc/85/41/36/539854136.db2.gz FQOGTWCPDYHHBY-UHFFFAOYSA-N 0 3 265.401 2.149 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nc2c(s1)CCC2 ZINC000678830333 539927524 /nfs/dbraw/zinc/92/75/24/539927524.db2.gz KMNWLAWRICWBLZ-RYUDHWBXSA-N 0 3 277.437 2.300 10 0 CEAEHN CCC[C@H](C(=O)NCc1nc(C2CC2)cs1)N(C)C ZINC000157804669 188339333 /nfs/dbraw/zinc/33/93/33/188339333.db2.gz RRVIGIMPSAQDAA-GFCCVEGCSA-N 0 3 281.425 2.367 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N(C)Cc2nccs2)[C@@H](C)C1 ZINC000132220242 366128142 /nfs/dbraw/zinc/12/81/42/366128142.db2.gz RMKNVTGGTAVQBK-RYUDHWBXSA-N 0 3 296.440 2.013 10 0 CEAEHN CC[C@@](C)(O)CN(C)Cc1cc(Br)cn1C ZINC000161542266 188533637 /nfs/dbraw/zinc/53/36/37/188533637.db2.gz PCXJPXYIGWDQOG-GFCCVEGCSA-N 0 3 289.217 2.380 10 0 CEAEHN Fc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2ncnn2C1 ZINC000183217651 282995228 /nfs/dbraw/zinc/99/52/28/282995228.db2.gz IBASJMZUSBEKRK-HIFRSBDPSA-N 0 3 286.354 2.399 10 0 CEAEHN Cc1nc(-c2ccco2)ccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170868233 188700011 /nfs/dbraw/zinc/70/00/11/188700011.db2.gz SWODZQIHSQNFKZ-CYBMUJFWSA-N 0 3 299.374 2.426 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cccnc2)=C[C@H](N)C1 ZINC000675078764 540119111 /nfs/dbraw/zinc/11/91/11/540119111.db2.gz SEEJRZBIFFREKU-ZDUSSCGKSA-N 0 3 275.352 2.043 10 0 CEAEHN Cc1ncccc1C1=C[C@@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675079478 540119520 /nfs/dbraw/zinc/11/95/20/540119520.db2.gz ZLDJGERJHIAYRD-CYBMUJFWSA-N 0 3 289.379 2.351 10 0 CEAEHN C[C@H]1C[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000076074381 363518406 /nfs/dbraw/zinc/51/84/06/363518406.db2.gz OMLQQEDXFNKJLQ-STQMWFEESA-N 0 3 297.468 2.056 10 0 CEAEHN NCC1(c2nc(-c3ccc(Cl)cc3)no2)CCOCC1 ZINC000166098993 540331026 /nfs/dbraw/zinc/33/10/26/540331026.db2.gz IVCYKPXURQJZPT-UHFFFAOYSA-N 0 3 293.754 2.397 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc(Cl)nc1)N(C)C ZINC000136832845 366526856 /nfs/dbraw/zinc/52/68/56/366526856.db2.gz GEHKRHIDTRASJO-NSHDSACASA-N 0 3 269.776 2.082 10 0 CEAEHN C[C@H]1OCC[C@H]1NCC(=O)Nc1cccc(Cl)c1 ZINC000149646727 366590624 /nfs/dbraw/zinc/59/06/24/366590624.db2.gz KVQKHBOJBQSBER-BXKDBHETSA-N 0 3 268.744 2.046 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc[nH]c1=S ZINC000177016153 189021386 /nfs/dbraw/zinc/02/13/86/189021386.db2.gz CHOZZXOBUOHDMI-LLVKDONJSA-N 0 3 279.409 2.300 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@@H]2C1)c1ccccc1F ZINC000177766844 189068137 /nfs/dbraw/zinc/06/81/37/189068137.db2.gz OFXMXFHXCXUVOI-CZUORRHYSA-N 0 3 278.371 2.029 10 0 CEAEHN CC[C@H](C(=O)N[C@H](C)COCc1ccccc1)N(C)C ZINC000178567870 189127657 /nfs/dbraw/zinc/12/76/57/189127657.db2.gz ZYJIDDRFSDWUGL-UKRRQHHQSA-N 0 3 278.396 2.048 10 0 CEAEHN CCC[C@H](C(=O)NCCc1ccccc1C)N(C)C ZINC000179238297 189180205 /nfs/dbraw/zinc/18/02/05/189180205.db2.gz FNRWOUHQTLHXBS-OAHLLOKOSA-N 0 3 262.397 2.384 10 0 CEAEHN O=C([C@H](c1ccccc1)C1CC1)N1CCN2CCC[C@@H]2C1 ZINC000179753156 189218147 /nfs/dbraw/zinc/21/81/47/189218147.db2.gz CYZISYGVWUWABM-IAGOWNOFSA-N 0 3 284.403 2.487 10 0 CEAEHN CCn1cc(CN2CCC[C@H]2Cn2ccnc2C)cn1 ZINC000180123188 189237979 /nfs/dbraw/zinc/23/79/79/189237979.db2.gz JYKWRFKXAHAUOW-HNNXBMFYSA-N 0 3 273.384 2.073 10 0 CEAEHN CCCCOc1cc(N)ccc1C(=O)OCCN(C)C ZINC000001847177 361223834 /nfs/dbraw/zinc/22/38/34/361223834.db2.gz CVNZUXHXTUSZSR-UHFFFAOYSA-N 0 3 280.368 2.166 10 0 CEAEHN CN(C)CCNc1c2c([nH+]c3ccc(C(=O)[O-])cc31)CCC2 ZINC000004226647 361306772 /nfs/dbraw/zinc/30/67/72/361306772.db2.gz RMZSGMURLBOPGN-UHFFFAOYSA-N 0 3 299.374 2.395 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@@H](C)CS(C)(=O)=O)cc1C ZINC000081902522 363747471 /nfs/dbraw/zinc/74/74/71/363747471.db2.gz UPAQBRVESXLUQA-QWHCGFSZSA-N 0 3 269.410 2.387 10 0 CEAEHN CC(=O)NC[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1 ZINC000005196949 361331886 /nfs/dbraw/zinc/33/18/86/361331886.db2.gz SGZVEWGAZGOWGP-XGWLTEMNSA-N 0 3 297.402 2.264 10 0 in-man CEAEHN O[C@H](Cc1ccccc1)CN1CC[C@H](Oc2cccnc2)C1 ZINC000154686233 366785957 /nfs/dbraw/zinc/78/59/57/366785957.db2.gz SNQMGVCZJQNXQZ-AEFFLSMTSA-N 0 3 298.386 2.138 10 0 CEAEHN C[C@H]1CC[C@@H](C(=O)N2CCN(C3CCC(C)CC3)CC2)O1 ZINC000155078585 366806567 /nfs/dbraw/zinc/80/65/67/366806567.db2.gz XSPBIZSLOITKGX-GRAKBVBRSA-N 0 3 294.439 2.277 10 0 CEAEHN Cc1cccc(C(=O)N(C)C[C@H]2CCN(C)C2)c1F ZINC000155346735 366817160 /nfs/dbraw/zinc/81/71/60/366817160.db2.gz SMHZVBWJRSHGLT-LBPRGKRZSA-N 0 3 264.344 2.158 10 0 CEAEHN COc1ccc(-c2nc(N)sc2CN(C)C)cc1 ZINC000026442857 361639592 /nfs/dbraw/zinc/63/95/92/361639592.db2.gz AOWMQSSOYPFVLN-UHFFFAOYSA-N 0 3 263.366 2.463 10 0 CEAEHN CCOc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000027932470 361662744 /nfs/dbraw/zinc/66/27/44/361662744.db2.gz GVFKIXALQKQEMM-AWEZNQCLSA-N 0 3 274.364 2.006 10 0 CEAEHN O[C@@H](CN1CCc2ccccc2C1)c1cccnc1 ZINC000032108300 361727392 /nfs/dbraw/zinc/72/73/92/361727392.db2.gz OBBABXWNDQZQAT-INIZCTEOSA-N 0 3 254.333 2.173 10 0 CEAEHN OC1CC(CNCc2ccc(F)cc2Br)C1 ZINC000084449221 363811053 /nfs/dbraw/zinc/81/10/53/363811053.db2.gz GLAWOFSSHYUXRW-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN Cc1nc(CN2CCC[C@@H]2CCCO)sc1C ZINC000088538079 363906625 /nfs/dbraw/zinc/90/66/25/363906625.db2.gz WEPSEYFAFSSBBW-GFCCVEGCSA-N 0 3 254.399 2.497 10 0 CEAEHN Cc1cc(C)n2c(CN3CCN4CCCC[C@@H]4C3)cnc2n1 ZINC000092616104 364088138 /nfs/dbraw/zinc/08/81/38/364088138.db2.gz MKHGANCGFCLSKJ-OAHLLOKOSA-N 0 3 299.422 2.016 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)c1cncc(Cl)n1 ZINC000092665284 364095827 /nfs/dbraw/zinc/09/58/27/364095827.db2.gz YNQPKROBPPWVSS-SNVBAGLBSA-N 0 3 254.765 2.051 10 0 CEAEHN COc1ncccc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000097119733 364458048 /nfs/dbraw/zinc/45/80/48/364458048.db2.gz ANQNTSBCTFQBHP-HNNXBMFYSA-N 0 3 299.374 2.123 10 0 CEAEHN Cc1ncccc1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000335729313 364896657 /nfs/dbraw/zinc/89/66/57/364896657.db2.gz BTNOFHSCEDMOKW-CJNGLKHVSA-N 0 3 259.397 2.449 10 0 CEAEHN C[C@H]1C[C@@H]1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115674945 365022434 /nfs/dbraw/zinc/02/24/34/365022434.db2.gz ZVDORPXRMAGSPY-SHWKFHJASA-N 0 3 279.428 2.301 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)NCCCCC(C)(C)C)CCO1 ZINC000117045760 365088849 /nfs/dbraw/zinc/08/88/49/365088849.db2.gz DWYDWPHJFVEQCH-CQSZACIVSA-N 0 3 299.459 2.175 10 0 CEAEHN CC(=O)N[C@H]1CCCN(C[C@H](C)c2ccccc2)C1 ZINC000116877547 365078183 /nfs/dbraw/zinc/07/81/83/365078183.db2.gz NFAQVBLVXAXWPX-BBRMVZONSA-N 0 3 260.381 2.391 10 0 CEAEHN CCc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000118791086 365179400 /nfs/dbraw/zinc/17/94/00/365179400.db2.gz UXAOSVGRGWKVRL-HNNXBMFYSA-N 0 3 291.395 2.043 10 0 CEAEHN Cc1cccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1C ZINC000118786986 365179685 /nfs/dbraw/zinc/17/96/85/365179685.db2.gz FJUVIKFBSTUINE-AWEZNQCLSA-N 0 3 291.395 2.098 10 0 CEAEHN Cc1cnn(C[C@H]2CN(CCC3CCCC3)CCO2)c1 ZINC000119266067 365243287 /nfs/dbraw/zinc/24/32/87/365243287.db2.gz VDMIRRLGOJWIHB-MRXNPFEDSA-N 0 3 277.412 2.473 10 0 CEAEHN COC(=O)c1ccc(CN2C[C@H]3CCCN3C[C@H]2C)s1 ZINC000119181303 365230988 /nfs/dbraw/zinc/23/09/88/365230988.db2.gz BCRICAXUAJYTIB-VXGBXAGGSA-N 0 3 294.420 2.203 10 0 CEAEHN CC(=O)Nc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000119503901 365282439 /nfs/dbraw/zinc/28/24/39/365282439.db2.gz VLHXERHHPBYNFZ-MRXNPFEDSA-N 0 3 299.378 2.074 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1ccc(C)cc1OCC ZINC000119507474 365284076 /nfs/dbraw/zinc/28/40/76/365284076.db2.gz XEFULMIPLFZTSD-CYBMUJFWSA-N 0 3 264.369 2.137 10 0 CEAEHN CC[C@@H]1CN(Cc2cccs2)CCN1C[C@@H](C)O ZINC000120701071 365463117 /nfs/dbraw/zinc/46/31/17/365463117.db2.gz VXQRFPHWPVAYGI-CHWSQXEVSA-N 0 3 268.426 2.025 10 0 CEAEHN Cc1ccccc1[C@H](C)NCC(=O)NC(=O)NC(C)(C)C ZINC000120477793 365430787 /nfs/dbraw/zinc/43/07/87/365430787.db2.gz DPUOTPOOAXVQRY-LBPRGKRZSA-N 0 3 291.395 2.270 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(CC[C@@H]2CCOC2=O)C1 ZINC000120496368 365432202 /nfs/dbraw/zinc/43/22/02/365432202.db2.gz BVPZUJRGNDWSCA-KGLIPLIRSA-N 0 3 291.395 2.036 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000245547112 370836333 /nfs/dbraw/zinc/83/63/33/370836333.db2.gz XBRGQGWDERNABH-OAGGEKHMSA-N 0 3 268.445 2.201 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1CCCCCC1 ZINC000245465130 370823965 /nfs/dbraw/zinc/82/39/65/370823965.db2.gz IHWWLASPJNBARJ-HZPDHXFCSA-N 0 3 295.471 2.194 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC=CCC1 ZINC000245461150 370824201 /nfs/dbraw/zinc/82/42/01/370824201.db2.gz FRPYJBGLMULFSF-HUUCEWRRSA-N 0 3 279.428 2.468 10 0 CEAEHN CC(=O)c1ccc(N[C@@H]2CN(C(C)C)C[C@@H]2C)nc1 ZINC000245595519 370847119 /nfs/dbraw/zinc/84/71/19/370847119.db2.gz IGTJRBJVFOZURB-SMDDNHRTSA-N 0 3 261.369 2.425 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@H](N(C)C)C1)c1cccc(F)c1F ZINC000165627099 367310181 /nfs/dbraw/zinc/31/01/81/367310181.db2.gz YCZQLZAVQUAWPG-QWRGUYRKSA-N 0 3 297.349 2.371 10 0 CEAEHN Cc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000171068058 367470483 /nfs/dbraw/zinc/47/04/83/367470483.db2.gz KTNJFMASIUUTCF-CYBMUJFWSA-N 0 3 261.369 2.471 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC000170855731 367432430 /nfs/dbraw/zinc/43/24/30/367432430.db2.gz QWCFASATCLFKOR-OAHLLOKOSA-N 0 3 288.391 2.252 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2sccc2-n2cccc2)C1 ZINC000170856388 367432607 /nfs/dbraw/zinc/43/26/07/367432607.db2.gz XVSKZDMYWDCISW-GFCCVEGCSA-N 0 3 289.404 2.315 10 0 CEAEHN CC(C)CC[C@H](C)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170861909 367434381 /nfs/dbraw/zinc/43/43/81/367434381.db2.gz FBIZUVKCVNTNLW-STQMWFEESA-N 0 3 255.406 2.157 10 0 CEAEHN Cc1ccc(C)c(CC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170868692 367436213 /nfs/dbraw/zinc/43/62/13/367436213.db2.gz GUKDNGKVHZIITD-OAHLLOKOSA-N 0 3 260.381 2.008 10 0 CEAEHN COC[C@@H](O)CN1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000172996109 367856682 /nfs/dbraw/zinc/85/66/82/367856682.db2.gz BIIOXQDXRYQMTD-OLZOCXBDSA-N 0 3 298.452 2.453 10 0 CEAEHN Cc1nc(C)c(CN2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000172799301 367822125 /nfs/dbraw/zinc/82/21/25/367822125.db2.gz IXYMWGBFBYOUFD-CYBMUJFWSA-N 0 3 291.424 2.264 10 0 CEAEHN Cc1cccc([C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000173675712 367932658 /nfs/dbraw/zinc/93/26/58/367932658.db2.gz JWASDLMCDKHBCM-OAGGEKHMSA-N 0 3 276.424 2.443 10 0 CEAEHN Cc1cccc([C@H](C)N[C@H]2CCc3ncnn3C2)c1 ZINC000174085081 367979839 /nfs/dbraw/zinc/97/98/39/367979839.db2.gz ARRYLRLUAIZETI-JSGCOSHPSA-N 0 3 256.353 2.252 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(C)c1ccccc1 ZINC000175361003 368128677 /nfs/dbraw/zinc/12/86/77/368128677.db2.gz IFNWYNPMGXIHQY-MRXNPFEDSA-N 0 3 289.423 2.066 10 0 CEAEHN CC(C)N(C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000175759745 368173132 /nfs/dbraw/zinc/17/31/32/368173132.db2.gz DLTMCVBUSOFTNZ-AWEZNQCLSA-N 0 3 263.385 2.339 10 0 CEAEHN Cc1nc(CCCC(=O)N2CCN3CCC[C@H]3C2)cs1 ZINC000176282113 368219410 /nfs/dbraw/zinc/21/94/10/368219410.db2.gz LRFHQJABLOIGLZ-AWEZNQCLSA-N 0 3 293.436 2.081 10 0 CEAEHN CC(C)(CN[C@H]1CCOc2ccccc21)N1CCOCC1 ZINC000020120729 541654974 /nfs/dbraw/zinc/65/49/74/541654974.db2.gz AOXSAHNIDXUQDT-HNNXBMFYSA-N 0 3 290.407 2.211 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H]2CSc3ccccc32)C1 ZINC000246261810 370937251 /nfs/dbraw/zinc/93/72/51/370937251.db2.gz ABNNFIPAAHSDHC-JSGCOSHPSA-N 0 3 290.432 2.476 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2ccoc2)C12CCOCC2 ZINC000186267558 368948192 /nfs/dbraw/zinc/94/81/92/368948192.db2.gz RQVZROZUXNKELL-KGLIPLIRSA-N 0 3 265.353 2.343 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2cccc(O)c2)C12CCOCC2 ZINC000186306441 368954579 /nfs/dbraw/zinc/95/45/79/368954579.db2.gz ZDWLRFZQCGMPSN-HOTGVXAUSA-N 0 3 291.391 2.456 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@@H]2CCOc3ccccc32)CC1 ZINC000634950331 368985243 /nfs/dbraw/zinc/98/52/43/368985243.db2.gz PHWZZCILBFDUID-TZMCWYRMSA-N 0 3 295.404 2.067 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1c[nH]nc1C1CC1)c1ccccc1 ZINC000186953332 369074565 /nfs/dbraw/zinc/07/45/65/369074565.db2.gz POUDREGDQGHUEM-OAHLLOKOSA-N 0 3 298.390 2.320 10 0 CEAEHN CCC[C@@H](C(=O)NCCCCCSC)N(C)C ZINC000188204787 369317320 /nfs/dbraw/zinc/31/73/20/369317320.db2.gz TWUIIWCVKSHGCE-LBPRGKRZSA-N 0 3 260.447 2.366 10 0 CEAEHN Cc1cncc(CN2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000189892388 369577496 /nfs/dbraw/zinc/57/74/96/369577496.db2.gz XHEVGQVLQGDHJX-CQSZACIVSA-N 0 3 256.353 2.113 10 0 CEAEHN C[C@@H](NCCn1cncn1)c1csc(Cl)c1 ZINC000276355028 193297438 /nfs/dbraw/zinc/29/74/38/193297438.db2.gz LTOBGIQFAQKIEO-MRVPVSSYSA-N 0 3 256.762 2.344 10 0 CEAEHN CCC(=O)CCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190344304 369615661 /nfs/dbraw/zinc/61/56/61/369615661.db2.gz KALWERXYPAVOAP-JSGCOSHPSA-N 0 3 267.394 2.125 10 0 CEAEHN CN1CCC(NC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000193141009 369898983 /nfs/dbraw/zinc/89/89/83/369898983.db2.gz CBTLEFQWONHHLI-UHFFFAOYSA-N 0 3 291.439 2.205 10 0 CEAEHN CCN1CCC[C@@H](NCc2ccnn2C(C)C)C1 ZINC000354146235 370232680 /nfs/dbraw/zinc/23/26/80/370232680.db2.gz MRHWBJFQMGVKSU-CYBMUJFWSA-N 0 3 250.390 2.038 10 0 CEAEHN COc1c(CNC[C@@H](C)c2nccs2)c(C)nn1C ZINC000230692451 370464632 /nfs/dbraw/zinc/46/46/32/370464632.db2.gz VWNLYXVRNDVHNO-SECBINFHSA-N 0 3 280.397 2.087 10 0 CEAEHN Cc1cc(Cl)ccc1CNC[C@H]1CN(C)CCO1 ZINC000231747037 370492501 /nfs/dbraw/zinc/49/25/01/370492501.db2.gz QOFHJRHXRIVCJM-AWEZNQCLSA-N 0 3 268.788 2.069 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(N(C)C)cc1 ZINC000246957351 371037535 /nfs/dbraw/zinc/03/75/35/371037535.db2.gz DHOPGGGVETWERB-BBRMVZONSA-N 0 3 287.407 2.061 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000247042664 371054214 /nfs/dbraw/zinc/05/42/14/371054214.db2.gz GRYAJAXCJHVINF-RYUDHWBXSA-N 0 3 278.400 2.036 10 0 CEAEHN COc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)ccc1C ZINC000247084638 371062054 /nfs/dbraw/zinc/06/20/54/371062054.db2.gz HXLVGQIOORKBOM-UKRRQHHQSA-N 0 3 288.391 2.312 10 0 CEAEHN CC[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1nccs1 ZINC000247375687 371100089 /nfs/dbraw/zinc/10/00/89/371100089.db2.gz OHCPZQFKYDXQQJ-NWDGAFQWSA-N 0 3 294.424 2.084 10 0 CEAEHN COCc1ccccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247470524 371112298 /nfs/dbraw/zinc/11/22/98/371112298.db2.gz VFXUGWUIJNPZDG-XJKSGUPXSA-N 0 3 290.407 2.292 10 0 CEAEHN CCCCC[C@H](C)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247506086 371116988 /nfs/dbraw/zinc/11/69/88/371116988.db2.gz OPXIBKNRCDYYNS-KBPBESRZSA-N 0 3 267.417 2.445 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC[C@H]1CCCCO1 ZINC000248601678 371221059 /nfs/dbraw/zinc/22/10/59/371221059.db2.gz UPGVQOZYHZRURQ-HUUCEWRRSA-N 0 3 297.443 2.071 10 0 CEAEHN O[C@H](Cc1ccccc1)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000249717405 371354950 /nfs/dbraw/zinc/35/49/50/371354950.db2.gz JNZMOMZBOQPZQY-IXDOHACOSA-N 0 3 275.392 2.233 10 0 CEAEHN OC[C@@H]1CN(CC2=CCCOC2)C[C@H]1c1ccsc1 ZINC000249785260 371362679 /nfs/dbraw/zinc/36/26/79/371362679.db2.gz DLBKZOQAVQHHDP-GJZGRUSLSA-N 0 3 279.405 2.103 10 0 CEAEHN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000249826640 371365886 /nfs/dbraw/zinc/36/58/86/371365886.db2.gz KIZGZGPOTCLALI-BBRMVZONSA-N 0 3 290.382 2.311 10 0 CEAEHN O[C@@H](CCN1CCN2CCCC[C@H]2C1)c1ccccc1 ZINC000250823049 371391893 /nfs/dbraw/zinc/39/18/93/371391893.db2.gz UJBQPABTRJGAOI-IRXDYDNUSA-N 0 3 274.408 2.280 10 0 CEAEHN c1cc2c(c(CN3CCN4CCCC[C@H]4C3)c1)NCC2 ZINC000252502311 371448638 /nfs/dbraw/zinc/44/86/38/371448638.db2.gz HELIWHHCLWNTNA-INIZCTEOSA-N 0 3 271.408 2.325 10 0 CEAEHN CC(C)(C)OC(=O)NC1CCN(C2CCC(=O)CC2)CC1 ZINC000253578998 371530699 /nfs/dbraw/zinc/53/06/99/371530699.db2.gz ZBDPOYAQDSQZKB-UHFFFAOYSA-N 0 3 296.411 2.487 10 0 CEAEHN CCCC[C@@H](CCC)CNC(=O)[C@H](N)C1CCOCC1 ZINC000261668508 371697676 /nfs/dbraw/zinc/69/76/76/371697676.db2.gz AAKPLQGNNDLEKH-UKRRQHHQSA-N 0 3 284.444 2.463 10 0 CEAEHN Clc1cccc(-c2noc([C@@H]3CNCCOC3)n2)c1 ZINC000644511648 373503945 /nfs/dbraw/zinc/50/39/45/373503945.db2.gz NFRKSMCRQRMOEK-SNVBAGLBSA-N 0 3 279.727 2.093 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(OC)cc2F)C1 ZINC000165243496 541987070 /nfs/dbraw/zinc/98/70/70/541987070.db2.gz XYUQIXPWVNYLAL-JSGCOSHPSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1ccccc1F ZINC000282264545 375444096 /nfs/dbraw/zinc/44/40/96/375444096.db2.gz HHUDACGZTGYMGL-KWBADKCTSA-N 0 3 250.317 2.143 10 0 CEAEHN C[C@H]1[C@@H](Nc2ncc[nH]c2=O)CCN1Cc1ccccc1 ZINC000307738565 376571652 /nfs/dbraw/zinc/57/16/52/376571652.db2.gz WZCXKRPPBMVBRQ-JSGCOSHPSA-N 0 3 284.363 2.257 10 0 CEAEHN CCc1nn(C)cc1CN1CCC[C@@H]1Cn1ccnc1C ZINC000180615013 542265439 /nfs/dbraw/zinc/26/54/39/542265439.db2.gz HQEWDQIGWKRLIP-OAHLLOKOSA-N 0 3 287.411 2.152 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(Cc2cnc3ccccc3c2)C1 ZINC000334745548 207005164 /nfs/dbraw/zinc/00/51/64/207005164.db2.gz HXIYLHAUALQAMQ-SWLSCSKDSA-N 0 3 256.349 2.438 10 0 CEAEHN C[C@@H](NCC(=O)N(C1CC1)C1CCCC1)[C@@H]1CCCO1 ZINC000183092166 542286353 /nfs/dbraw/zinc/28/63/53/542286353.db2.gz FPZRDGWCBZHZMZ-DOMZBBRYSA-N 0 3 280.412 2.077 10 0 CEAEHN CNC(=O)[C@H](NCCSc1ccccc1F)C(C)C ZINC000183677969 542293698 /nfs/dbraw/zinc/29/36/98/542293698.db2.gz HSBIKWSFUBFCNK-CYBMUJFWSA-N 0 3 284.400 2.278 10 0 CEAEHN Cc1cc([C@H]2[C@@H](CNC3CC3)OCCN2C)c(C)s1 ZINC000070287595 184571443 /nfs/dbraw/zinc/57/14/43/184571443.db2.gz BYZZXDCKHXTRRV-CABCVRRESA-N 0 3 280.437 2.489 10 0 CEAEHN CNCc1cc(S(=O)(=O)N2CCCC[C@@H]2C)cs1 ZINC000088907036 184613535 /nfs/dbraw/zinc/61/35/35/184613535.db2.gz PYJLYEQZONEUQC-JTQLQIEISA-N 0 3 288.438 2.031 10 0 CEAEHN C[C@@H]1CCC[C@](N)(C(=O)NCCOc2ccccc2)C1 ZINC000080929220 177732573 /nfs/dbraw/zinc/73/25/73/177732573.db2.gz IVPHWQGSDAAYNX-CZUORRHYSA-N 0 3 276.380 2.089 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1)[C@@H]1CN(C(C)C)CCO1 ZINC000093927944 184744780 /nfs/dbraw/zinc/74/47/80/184744780.db2.gz XBHTUNRBMKKPDN-DLBZAZTESA-N 0 3 292.423 2.455 10 0 CEAEHN CC[C@@](C)(N)C(=O)NCc1cccc(NC(=O)C(C)C)c1 ZINC000094236836 184767517 /nfs/dbraw/zinc/76/75/17/184767517.db2.gz WJMDYHYWDWPRCK-MRXNPFEDSA-N 0 3 291.395 2.025 10 0 CEAEHN CC1(C)CC[C@@H](S(=O)(=O)c2ccc(F)cc2F)[C@@H]1N ZINC000094311194 184778693 /nfs/dbraw/zinc/77/86/93/184778693.db2.gz HFCGMOAYIXJJAA-NEPJUHHUSA-N 0 3 289.347 2.254 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)oc(=O)n2C)[C@]1(C)CCCO1 ZINC000094788731 184864901 /nfs/dbraw/zinc/86/49/01/184864901.db2.gz BCXVUWNQFOMSQL-HOCLYGCPSA-N 0 3 290.363 2.351 10 0 CEAEHN CN(C)CCSCC(=O)Nc1cc(N)ccc1Cl ZINC000095020065 184916054 /nfs/dbraw/zinc/91/60/54/184916054.db2.gz KIXGCSBNFGEGAN-UHFFFAOYSA-N 0 3 287.816 2.156 10 0 CEAEHN CCOc1cccc([C@H](N)[C@@H]2CSCCO2)c1 ZINC000094933406 184896669 /nfs/dbraw/zinc/89/66/69/184896669.db2.gz IXBBDZVCQIKKCK-STQMWFEESA-N 0 3 253.367 2.217 10 0 CEAEHN Cc1cc(NC(=O)[C@@H](N)C(C)C)nn1-c1ccc(C)cc1 ZINC000236793565 130975699 /nfs/dbraw/zinc/97/56/99/130975699.db2.gz INCHVJWHENJMRT-HNNXBMFYSA-N 0 3 286.379 2.411 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000262145238 131194016 /nfs/dbraw/zinc/19/40/16/131194016.db2.gz QDDHCKLKKFOQJL-MRXNPFEDSA-N 0 3 293.411 2.393 10 0 CEAEHN CCC[C@@](C)(N)C(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000262167524 131196797 /nfs/dbraw/zinc/19/67/97/131196797.db2.gz WLDXLQUGJQPUMP-IUODEOHRSA-N 0 3 282.384 2.299 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1F ZINC000262175923 131197745 /nfs/dbraw/zinc/19/77/45/131197745.db2.gz YKBPZCBVNUMASI-IDTSFGKNSA-N 0 3 296.386 2.391 10 0 CEAEHN CCCNCCS(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000088928771 135057702 /nfs/dbraw/zinc/05/77/02/135057702.db2.gz SADBCMPPJVAKCI-UHFFFAOYSA-N 0 3 296.436 2.077 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1cncc(CNCC(C)C)n1 ZINC000091420720 135069567 /nfs/dbraw/zinc/06/95/67/135069567.db2.gz ZEXMBUWWJLHCHX-ZFWWWQNUSA-N 0 3 292.427 2.226 10 0 CEAEHN CNc1ccnc(CN2CCN(c3ccccc3)CC2)c1 ZINC000092418015 135076353 /nfs/dbraw/zinc/07/63/53/135076353.db2.gz AXJSYCQPCHGXBZ-UHFFFAOYSA-N 0 3 282.391 2.446 10 0 CEAEHN COc1cc(OC)cc(N2CCN3CCCC[C@@H]3C2)c1 ZINC000094432046 135087099 /nfs/dbraw/zinc/08/70/99/135087099.db2.gz DQSODWYDKWZBIK-CYBMUJFWSA-N 0 3 276.380 2.378 10 0 CEAEHN C[C@H](O)CN1CCN(CCCC2CCCC2)C[C@@H]1C ZINC000246306516 394513473 /nfs/dbraw/zinc/51/34/73/394513473.db2.gz VUUIZSBLSJRCNL-GJZGRUSLSA-N 0 3 268.445 2.344 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cn(C)nn1 ZINC000226665426 394471653 /nfs/dbraw/zinc/47/16/53/394471653.db2.gz UDNDBLJAROHVSE-XBFCOCLRSA-N 0 3 250.390 2.366 10 0 CEAEHN C[C@]1(CN2CCN3CCCC[C@H]3C2)CCCS1 ZINC000250789011 394565033 /nfs/dbraw/zinc/56/50/33/394565033.db2.gz HOETYGAWPIQZIU-UONOGXRCSA-N 0 3 254.443 2.442 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCCC[C@H]2C)C1 ZINC000246835419 394522557 /nfs/dbraw/zinc/52/25/57/394522557.db2.gz DXSWKKUAFRZSJG-MGPQQGTHSA-N 0 3 267.417 2.299 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000048768876 394528369 /nfs/dbraw/zinc/52/83/69/394528369.db2.gz IOMXGJOYBQNXBW-ZDUSSCGKSA-N 0 3 265.332 2.432 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCS[C@H](C)[C@H]2C)C1 ZINC000247513903 394531961 /nfs/dbraw/zinc/53/19/61/394531961.db2.gz YOAJVDVMKJYMDH-SYQHCUMBSA-N 0 3 299.484 2.251 10 0 CEAEHN COc1cc(F)cc(CNC[C@H]2CCCC[C@H]2O)c1 ZINC000312271206 394540749 /nfs/dbraw/zinc/54/07/49/394540749.db2.gz JDUKDBPTORCVLL-IUODEOHRSA-N 0 3 267.344 2.475 10 0 CEAEHN CC(=O)CCN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248613095 394543833 /nfs/dbraw/zinc/54/38/33/394543833.db2.gz QWTTZZYHKAROIC-BFHYXJOUSA-N 0 3 296.411 2.201 10 0 CEAEHN CCOc1cc(CNC[C@@H](O)C(C)(C)C)ccc1O ZINC000324316052 394550072 /nfs/dbraw/zinc/55/00/72/394550072.db2.gz FYSXRAJYJUINDC-CQSZACIVSA-N 0 3 267.369 2.288 10 0 CEAEHN C[C@H]1CC(CCN2CCNC(=O)CC2)C[C@H](C)C1 ZINC000089124506 394647115 /nfs/dbraw/zinc/64/71/15/394647115.db2.gz UUAOKOLQOVWLBK-CHWSQXEVSA-N 0 3 252.402 2.271 10 0 CEAEHN Cc1cccc([C@H](C)CNC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000121073464 394791811 /nfs/dbraw/zinc/79/18/11/394791811.db2.gz LKZIYKCYCSSFDA-GDBMZVCRSA-N 0 3 289.423 2.444 10 0 CEAEHN CC[C@H](O)CN1CCN(CCCC2CCCC2)CC1 ZINC000121231303 394794280 /nfs/dbraw/zinc/79/42/80/394794280.db2.gz QACHBEZRXAAYNU-INIZCTEOSA-N 0 3 268.445 2.345 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000129373124 394863931 /nfs/dbraw/zinc/86/39/31/394863931.db2.gz NOFMCDJKHDGRLF-CBBWQLFWSA-N 0 3 281.444 2.403 10 0 CEAEHN CCN1CCC[C@@H](Nc2ccc(C(=O)OC)c(C)n2)C1 ZINC000130264420 394884406 /nfs/dbraw/zinc/88/44/06/394884406.db2.gz KWJWYZKFTXNJIA-GFCCVEGCSA-N 0 3 277.368 2.073 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1cccc(F)c1 ZINC000282059326 394903837 /nfs/dbraw/zinc/90/38/37/394903837.db2.gz BJIUXDHDFBILDD-OUJBWJOFSA-N 0 3 250.317 2.143 10 0 CEAEHN CN(C)CCNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000133887213 394955649 /nfs/dbraw/zinc/95/56/49/394955649.db2.gz MDXHYKNVDWYTNN-CYBMUJFWSA-N 0 3 291.395 2.150 10 0 CEAEHN CCc1nnc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)n1C ZINC000182487296 395242366 /nfs/dbraw/zinc/24/23/66/395242366.db2.gz MQJPVBNVVDBGKA-XQQFMLRXSA-N 0 3 262.401 2.388 10 0 CEAEHN COc1ccc([C@@H](C)NC[C@H](O)CSC)cc1OC ZINC000188219781 395312504 /nfs/dbraw/zinc/31/25/04/395312504.db2.gz AXGNLQOUYYOPPF-PWSUYJOCSA-N 0 3 285.409 2.078 10 0 CEAEHN O=C(Cc1ccc2c(c1)CCCC2)N1CCN2CCC[C@H]2C1 ZINC000195317419 395464666 /nfs/dbraw/zinc/46/46/66/395464666.db2.gz NAXDYLKRHMAUOH-SFHVURJKSA-N 0 3 298.430 2.415 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1cccc(F)c1)C(F)(F)F ZINC000062784512 522651409 /nfs/dbraw/zinc/65/14/09/522651409.db2.gz XVDNDHJYBYVQNT-ZJUUUORDSA-N 0 3 251.223 2.313 10 0 CEAEHN CCC[C@@H](C(=O)NCCC1CC(OCC)C1)N(C)C ZINC000190736466 153142184 /nfs/dbraw/zinc/14/21/84/153142184.db2.gz JGTAOPPEROJYOQ-RUXDESIVSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CC(C)(C)CC(C)=O ZINC000191889152 153198220 /nfs/dbraw/zinc/19/82/20/153198220.db2.gz CIKXNEOOJAGTKP-AWEZNQCLSA-N 0 3 282.428 2.325 10 0 CEAEHN C[C@H](NCC(=O)NCCC1=CCCCC1)[C@H]1CCCO1 ZINC000193124268 153228580 /nfs/dbraw/zinc/22/85/80/153228580.db2.gz JCVZXNVKHMKTFI-DZGCQCFKSA-N 0 3 280.412 2.150 10 0 CEAEHN O=C(c1ccc2ncccc2c1)N1CCN2CCC[C@H]2C1 ZINC000195450701 153285500 /nfs/dbraw/zinc/28/55/00/153285500.db2.gz LZKOORIFWHKRQF-HNNXBMFYSA-N 0 3 281.359 2.155 10 0 CEAEHN CCCOc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195334026 153286553 /nfs/dbraw/zinc/28/65/53/153286553.db2.gz NCGBOSMZZNYNLL-OAHLLOKOSA-N 0 3 288.391 2.396 10 0 CEAEHN COc1c(CNCCCCOC(C)C)c(C)nn1C ZINC000228563982 153367896 /nfs/dbraw/zinc/36/78/96/153367896.db2.gz NPWKUAONOZAYBN-UHFFFAOYSA-N 0 3 269.389 2.032 10 0 CEAEHN C[C@H](Cc1nc([C@H]2CNCCN2C)no1)C1CCCCC1 ZINC000263234253 154042145 /nfs/dbraw/zinc/04/21/45/154042145.db2.gz NTRYTSJVPPULPR-TZMCWYRMSA-N 0 3 292.427 2.405 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(C(C)(C)c2cccs2)n1 ZINC000263274274 154048372 /nfs/dbraw/zinc/04/83/72/154048372.db2.gz SQBUXIBIHCRQEK-SNVBAGLBSA-N 0 3 292.408 2.033 10 0 CEAEHN C[C@@H]1CCCC[C@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263482982 154098384 /nfs/dbraw/zinc/09/83/84/154098384.db2.gz GRFTVLIQBBKVSO-TWRYWWQQSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CCCC[C@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482982 154098389 /nfs/dbraw/zinc/09/83/89/154098389.db2.gz GRFTVLIQBBKVSO-TWRYWWQQSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CCCC[C@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482982 154098394 /nfs/dbraw/zinc/09/83/94/154098394.db2.gz GRFTVLIQBBKVSO-TWRYWWQQSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CC[C@@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511846 154108500 /nfs/dbraw/zinc/10/85/00/154108500.db2.gz NOZFGMGSTSRCEV-QSFCEBDXSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]1CC[C@@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511846 154108506 /nfs/dbraw/zinc/10/85/06/154108506.db2.gz NOZFGMGSTSRCEV-QSFCEBDXSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]1CC[C@@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511846 154108507 /nfs/dbraw/zinc/10/85/07/154108507.db2.gz NOZFGMGSTSRCEV-QSFCEBDXSA-N 0 3 280.412 2.092 10 0 CEAEHN CCC(CC)CNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263523246 154112678 /nfs/dbraw/zinc/11/26/78/154112678.db2.gz RZWKNOFNFMUGDG-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN CCC(CC)CNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263523246 154112682 /nfs/dbraw/zinc/11/26/82/154112682.db2.gz RZWKNOFNFMUGDG-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN CCC(CC)C[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263523246 154112685 /nfs/dbraw/zinc/11/26/85/154112685.db2.gz RZWKNOFNFMUGDG-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC(C)C[C@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531514 154117685 /nfs/dbraw/zinc/11/76/85/154117685.db2.gz WTDRAMBNSXVSPX-GRTSSRMGSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)C[C@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531514 154117689 /nfs/dbraw/zinc/11/76/89/154117689.db2.gz WTDRAMBNSXVSPX-GRTSSRMGSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)C[C@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263531514 154117693 /nfs/dbraw/zinc/11/76/93/154117693.db2.gz WTDRAMBNSXVSPX-GRTSSRMGSA-N 0 3 282.428 2.338 10 0 CEAEHN Cc1ccc2c(c1)[C@H](N[C@@H](C)CS(C)(=O)=O)[C@H](C)C2 ZINC000180893534 292368776 /nfs/dbraw/zinc/36/87/76/292368776.db2.gz LFBIXSNHNQQVOA-TYNCELHUSA-N 0 3 281.421 2.251 10 0 CEAEHN COCCC[C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000181456882 292381689 /nfs/dbraw/zinc/38/16/89/292381689.db2.gz QRMVACMLORCJLZ-UONOGXRCSA-N 0 3 272.433 2.142 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000172289963 165054137 /nfs/dbraw/zinc/05/41/37/165054137.db2.gz DGAKBOABUDEACS-LSDHHAIUSA-N 0 3 288.435 2.062 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N2CCN3CCC[C@@H]3C2)o1 ZINC000171898504 165054668 /nfs/dbraw/zinc/05/46/68/165054668.db2.gz SYKNMALGKCVTNC-QWHCGFSZSA-N 0 3 277.368 2.139 10 0 CEAEHN CC(C)CC[C@H](C)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171897386 165055065 /nfs/dbraw/zinc/05/50/65/165055065.db2.gz TYTQFKFARMOEEP-UONOGXRCSA-N 0 3 267.417 2.301 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CNc2c(C)cccc2C)C1 ZINC000173562923 165075108 /nfs/dbraw/zinc/07/51/08/165075108.db2.gz DOWIYEHKGLHLPO-HNNXBMFYSA-N 0 3 289.423 2.316 10 0 CEAEHN CC(C)c1nc([C@@H]2CCCN2C(=O)CN(C)C(C)C)no1 ZINC000173595187 165076147 /nfs/dbraw/zinc/07/61/47/165076147.db2.gz MXZQXADITBEIOE-LBPRGKRZSA-N 0 3 294.399 2.197 10 0 CEAEHN COC[C@H](C)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000173698044 165076354 /nfs/dbraw/zinc/07/63/54/165076354.db2.gz JPHKUBITUQOYES-GWCFXTLKSA-N 0 3 251.374 2.209 10 0 CEAEHN C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173927900 165090243 /nfs/dbraw/zinc/09/02/43/165090243.db2.gz DGAXPCHQFPJNOZ-BBRMVZONSA-N 0 3 278.371 2.293 10 0 CEAEHN CCCN(CCC)C(=O)CN(C)C[C@H]1CCCN1CC ZINC000175350016 165135006 /nfs/dbraw/zinc/13/50/06/165135006.db2.gz AWMPJWHRUBGOEH-OAHLLOKOSA-N 0 3 283.460 2.051 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(OC)cc1 ZINC000177005756 165179940 /nfs/dbraw/zinc/17/99/40/165179940.db2.gz ZQUZICCMFSIXLJ-AWEZNQCLSA-N 0 3 276.380 2.252 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C)nc1C ZINC000176995189 165181735 /nfs/dbraw/zinc/18/17/35/165181735.db2.gz OOCLVMQFOVAWPJ-AWEZNQCLSA-N 0 3 275.396 2.255 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)OCCC(C)C ZINC000176990804 165182404 /nfs/dbraw/zinc/18/24/04/165182404.db2.gz OIEVIRLCZURVCL-HUUCEWRRSA-N 0 3 284.444 2.380 10 0 CEAEHN CCC[C@@H](N)C(=O)N1CCC(OCCC(C)C)CC1 ZINC000178033255 165218741 /nfs/dbraw/zinc/21/87/41/165218741.db2.gz HCLOQUQUSSHAQJ-CQSZACIVSA-N 0 3 270.417 2.168 10 0 CEAEHN CCC[C@H](N[C@@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180588502 165317242 /nfs/dbraw/zinc/31/72/42/165317242.db2.gz CWHNIJHCEMSWAY-OCCSQVGLSA-N 0 3 271.368 2.119 10 0 CEAEHN CCCN(CCC)CC(=O)Nc1ccccc1C(N)=S ZINC000019504152 170816360 /nfs/dbraw/zinc/81/63/60/170816360.db2.gz UFRWRHUIFCISPE-UHFFFAOYSA-N 0 3 293.436 2.381 10 0 CEAEHN CCCN(CCC)S(=O)(=O)c1cc(CN)ccc1C ZINC000020189489 171056147 /nfs/dbraw/zinc/05/61/47/171056147.db2.gz RNYNGSKGDVOFSO-UHFFFAOYSA-N 0 3 284.425 2.264 10 0 CEAEHN [NH3+]Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020224360 171086769 /nfs/dbraw/zinc/08/67/69/171086769.db2.gz AENANPZVKPPRHQ-UHFFFAOYSA-N 0 3 280.324 2.085 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)NCCc1ccc(OC)cc1 ZINC000020364330 171163210 /nfs/dbraw/zinc/16/32/10/171163210.db2.gz VZMIBAWZPINGIC-CYBMUJFWSA-N 0 3 278.396 2.084 10 0 CEAEHN C[C@@H](N)c1ccccc1O[C@H](C)C(=O)N1CCCCC1 ZINC000020419369 171184292 /nfs/dbraw/zinc/18/42/92/171184292.db2.gz KDYCCQOEGQREJI-CHWSQXEVSA-N 0 3 276.380 2.486 10 0 CEAEHN CC(C)(C)OC[C@H](N)c1ccc2c(c1)OCCO2 ZINC000020510757 171230296 /nfs/dbraw/zinc/23/02/96/171230296.db2.gz ILAZDGFOBLUZNW-NSHDSACASA-N 0 3 251.326 2.273 10 0 CEAEHN CC[C@H](C)NCc1cc(Cl)ccc1OCC(N)=O ZINC000020873346 171277358 /nfs/dbraw/zinc/27/73/58/171277358.db2.gz XCYHGVIZQYQJOE-VIFPVBQESA-N 0 3 270.760 2.092 10 0 CEAEHN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cccc(CN)c1 ZINC000022167401 171366258 /nfs/dbraw/zinc/36/62/58/171366258.db2.gz RAVURAOAWSXAPB-TXEJJXNPSA-N 0 3 282.409 2.097 10 0 CEAEHN NCc1ccccc1NC(=O)COCc1ccccc1 ZINC000022209399 171373148 /nfs/dbraw/zinc/37/31/48/171373148.db2.gz PHBPEBAAFHJDCS-UHFFFAOYSA-N 0 3 270.332 2.301 10 0 CEAEHN CN(c1ccc(N)cc1Cl)C1CCN(C)CC1 ZINC000022217965 171376443 /nfs/dbraw/zinc/37/64/43/171376443.db2.gz JDFADCMTJPTKEE-UHFFFAOYSA-N 0 3 253.777 2.453 10 0 CEAEHN COc1ccc([C@@H](N)[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022564506 171391645 /nfs/dbraw/zinc/39/16/45/171391645.db2.gz HWILGWVBEFOAFD-IATRGZMQSA-N 0 3 278.396 2.193 10 0 CEAEHN CCCCC(=O)Nc1sc2c(c1C(=O)OC)CCNC2 ZINC000035216844 172057703 /nfs/dbraw/zinc/05/77/03/172057703.db2.gz DTAVSMZDBURLKC-UHFFFAOYSA-N 0 3 296.392 2.309 10 0 CEAEHN COCCCNC(=O)[C@H](C)N[C@H]1CCCc2ccccc21 ZINC000035221871 172064786 /nfs/dbraw/zinc/06/47/86/172064786.db2.gz VPJZXJUSWVXFTO-BBRMVZONSA-N 0 3 290.407 2.195 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN(c2nc3sccn3c2CN)C1 ZINC000035429887 172198574 /nfs/dbraw/zinc/19/85/74/172198574.db2.gz MOFCYBDYLVKAFD-NXEZZACHSA-N 0 3 264.398 2.337 10 0 CEAEHN CNCc1c(N(C)C2CCCC2)nc2ccccn21 ZINC000035449174 172203872 /nfs/dbraw/zinc/20/38/72/172203872.db2.gz UPOYOIKSRHSLOI-UHFFFAOYSA-N 0 3 258.369 2.433 10 0 CEAEHN CN[C@@H](c1cccs1)c1cccc(S(C)(=O)=O)c1 ZINC000035488229 172222986 /nfs/dbraw/zinc/22/29/86/172222986.db2.gz KNSXTMFXEPJDNQ-CYBMUJFWSA-N 0 3 281.402 2.460 10 0 CEAEHN CN[C@H](CC(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000035500763 172235048 /nfs/dbraw/zinc/23/50/48/172235048.db2.gz BCOWGCQPRAWZDQ-MRVPVSSYSA-N 0 3 260.215 2.334 10 0 CEAEHN C[C@H](O)c1c(F)cccc1N1CCCN(C)CC1 ZINC000035631484 172313722 /nfs/dbraw/zinc/31/37/22/172313722.db2.gz OGORIKYMFWSOEV-NSHDSACASA-N 0 3 252.333 2.021 10 0 CEAEHN CCCNS(=O)(=O)c1cccc([C@@H](C)NCC)c1 ZINC000035632729 172315599 /nfs/dbraw/zinc/31/55/99/172315599.db2.gz WHJWEVSLGITJTG-LLVKDONJSA-N 0 3 270.398 2.045 10 0 CEAEHN C[C@@H](NCC(=O)Nc1ccccc1Cl)[C@@H]1CCCO1 ZINC000035735812 172388506 /nfs/dbraw/zinc/38/85/06/172388506.db2.gz XRDGCHJRQDICNX-MFKMUULPSA-N 0 3 282.771 2.436 10 0 CEAEHN Cn1c(CNC2(CCO)CCCC2)nc2ccccc21 ZINC000285449607 196286927 /nfs/dbraw/zinc/28/69/27/196286927.db2.gz IXWOWDDMKIVLKX-UHFFFAOYSA-N 0 3 273.380 2.358 10 0 CEAEHN N[C@@H]1C[C@@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000036263198 172556675 /nfs/dbraw/zinc/55/66/75/172556675.db2.gz RDWTZKXEQUFZEA-APPZFPTMSA-N 0 3 260.124 2.215 10 0 CEAEHN CNCc1cccc(NC(=O)c2ccc(C)nc2)c1 ZINC000036282452 172574643 /nfs/dbraw/zinc/57/46/43/172574643.db2.gz DCILOBLSOMPFQQ-UHFFFAOYSA-N 0 3 255.321 2.362 10 0 CEAEHN COc1ccc(Br)cc1[C@H](CN)N(C)C ZINC000036894254 172785961 /nfs/dbraw/zinc/78/59/61/172785961.db2.gz AIFPIMPCTVMTPY-JTQLQIEISA-N 0 3 273.174 2.019 10 0 CEAEHN CN([C@@H](CN)c1ccccc1F)[C@@H]1CCSC1 ZINC000037174655 173009796 /nfs/dbraw/zinc/00/97/96/173009796.db2.gz PPNRMZIFUNCARH-MFKMUULPSA-N 0 3 254.374 2.263 10 0 CEAEHN C[C@@H](COc1ccc(Cl)cc1CNC1CC1)C(N)=O ZINC000037226839 173047289 /nfs/dbraw/zinc/04/72/89/173047289.db2.gz UOLKJVHFHUNFMK-VIFPVBQESA-N 0 3 282.771 2.092 10 0 CEAEHN COC1CCN(C[C@@H](N)c2ccc(C)c(C)c2)CC1 ZINC000037266109 173076601 /nfs/dbraw/zinc/07/66/01/173076601.db2.gz SEXKXDNDMFGIEN-MRXNPFEDSA-N 0 3 262.397 2.414 10 0 CEAEHN CCOCCN[C@H]1CCOc2ccc(OC)cc21 ZINC000037269319 173080893 /nfs/dbraw/zinc/08/08/93/173080893.db2.gz WSUOOTCEASQULY-ZDUSSCGKSA-N 0 3 251.326 2.145 10 0 CEAEHN CCOC(=O)C[C@H](N)c1cc(Cl)c2c(c1)OCCO2 ZINC000037324540 173125055 /nfs/dbraw/zinc/12/50/55/173125055.db2.gz AAUIMUSYNRAGFB-JTQLQIEISA-N 0 3 285.727 2.064 10 0 CEAEHN N[C@@H](c1ccc2c(c1)CCCC(=O)N2)[C@H]1CCCO1 ZINC000037371267 173159734 /nfs/dbraw/zinc/15/97/34/173159734.db2.gz BUDRZFXYHQFPGC-HIFRSBDPSA-N 0 3 260.337 2.140 10 0 CEAEHN COC(=O)CCCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000037417154 173194669 /nfs/dbraw/zinc/19/46/69/173194669.db2.gz CCYNMFCRSONZNB-LLVKDONJSA-N 0 3 281.352 2.308 10 0 CEAEHN C[C@@](NC1CC1)(C(N)=O)c1cccc2ccccc21 ZINC000037514628 173245968 /nfs/dbraw/zinc/24/59/68/173245968.db2.gz CQDXYEQYDYEHOK-INIZCTEOSA-N 0 3 254.333 2.292 10 0 CEAEHN CCC[C@H]1CN(C(=O)OCc2ccccc2)CCN1 ZINC000039952244 174176848 /nfs/dbraw/zinc/17/68/48/174176848.db2.gz LZKIDRNIHSEQGN-AWEZNQCLSA-N 0 3 262.353 2.397 10 0 CEAEHN CC(C)(C)[C@H](N)C(=O)N(Cc1ccco1)C1CC1 ZINC000040467309 174275300 /nfs/dbraw/zinc/27/53/00/174275300.db2.gz SJSHIMXDZDKGPA-GFCCVEGCSA-N 0 3 250.342 2.144 10 0 CEAEHN CSCC[C@H](N)C(=O)N(C)C1CCC(C)CC1 ZINC000040467286 174275446 /nfs/dbraw/zinc/27/54/46/174275446.db2.gz PNCYBZIHEKTHQO-MCIGGMRASA-N 0 3 258.431 2.104 10 0 CEAEHN CCN1CCC[C@@H](NCc2c(C)nc3sccn23)C1 ZINC000040502786 174298703 /nfs/dbraw/zinc/29/87/03/174298703.db2.gz HBWNJIIROWAWJE-GFCCVEGCSA-N 0 3 278.425 2.278 10 0 CEAEHN COC(=O)C[C@@H](C)NCc1cc2c(s1)CCC2 ZINC000040627040 174356848 /nfs/dbraw/zinc/35/68/48/174356848.db2.gz CBNVMUQKBKXTKE-SECBINFHSA-N 0 3 253.367 2.278 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000040631113 174358363 /nfs/dbraw/zinc/35/83/63/174358363.db2.gz PSMLCLYWKVFNLX-OIBJUYFYSA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000040634360 174360363 /nfs/dbraw/zinc/36/03/63/174360363.db2.gz LJRLCFZGAPVNCR-UKRRQHHQSA-N 0 3 292.379 2.098 10 0 CEAEHN CCOC1CCN([C@H](CN)c2ccc(F)cc2)CC1 ZINC000040678637 174374760 /nfs/dbraw/zinc/37/47/60/174374760.db2.gz RPGGFWLSVZBTFV-OAHLLOKOSA-N 0 3 266.360 2.326 10 0 CEAEHN CCOC1CCN(C[C@@H](N)c2cccc(OC)c2)CC1 ZINC000040689281 174376360 /nfs/dbraw/zinc/37/63/60/174376360.db2.gz FZPHRVKZJHZYMU-MRXNPFEDSA-N 0 3 278.396 2.196 10 0 CEAEHN CCOC1CCN(c2nc3ccccn3c2CNC)CC1 ZINC000040689858 174376542 /nfs/dbraw/zinc/37/65/42/174376542.db2.gz WLOIVDXRXGIDLK-UHFFFAOYSA-N 0 3 288.395 2.059 10 0 CEAEHN CCN1CCC[C@H]1CNc1ncc(Br)cc1N ZINC000040713595 174381626 /nfs/dbraw/zinc/38/16/26/174381626.db2.gz WZSZJYDQWBCWDR-JTQLQIEISA-N 0 3 299.216 2.323 10 0 CEAEHN CN(C(=O)c1cc2ccccc2o1)[C@@H](CN)C(F)(F)F ZINC000662977787 414816438 /nfs/dbraw/zinc/81/64/38/414816438.db2.gz WRYHWBPLJDZAKV-NSHDSACASA-N 0 3 286.253 2.394 10 0 CEAEHN Cc1cccc(CCC(=O)N(C)[C@@H](CN)C(F)(F)F)c1 ZINC000662980110 414817706 /nfs/dbraw/zinc/81/77/06/414817706.db2.gz ZRHMRBFWJGFZPD-LBPRGKRZSA-N 0 3 288.313 2.276 10 0 CEAEHN CCCNCc1c(C)nn(C)c1N1CCC[C@H](OCC)C1 ZINC000042424250 174724336 /nfs/dbraw/zinc/72/43/36/174724336.db2.gz XWNSZVZFHRLZBT-AWEZNQCLSA-N 0 3 294.443 2.233 10 0 CEAEHN COCc1nc(CN[C@@H]2CCN(C(C)(C)C)C2)cs1 ZINC000657563285 415002064 /nfs/dbraw/zinc/00/20/64/415002064.db2.gz RPGNWNZGRXBFFO-LLVKDONJSA-N 0 3 283.441 2.252 10 0 CEAEHN COc1c(CNC[C@@H](OC)C2CCCC2)c(C)nn1C ZINC000657767709 415075914 /nfs/dbraw/zinc/07/59/14/415075914.db2.gz PLITYYVFIKDGJQ-CQSZACIVSA-N 0 3 281.400 2.032 10 0 CEAEHN OCC1CC(NCc2ccccc2Br)C1 ZINC000657808329 415087224 /nfs/dbraw/zinc/08/72/24/415087224.db2.gz FOMBTBLPWZPLEL-UHFFFAOYSA-N 0 3 270.170 2.310 10 0 CEAEHN CC[C@@H](N)[C@H](c1cccc(Cl)c1)N(C)CC(=O)N(C)C ZINC000043014134 174941754 /nfs/dbraw/zinc/94/17/54/174941754.db2.gz WSJHMDMXORFCBA-HIFRSBDPSA-N 0 3 297.830 2.138 10 0 CEAEHN CN[C@H](c1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300712 175001339 /nfs/dbraw/zinc/00/13/39/175001339.db2.gz DWAFASZVPPBHGO-DZGCQCFKSA-N 0 3 297.420 2.169 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)[C@](C)(N)C2CC2)c1 ZINC000043318647 175005632 /nfs/dbraw/zinc/00/56/32/175005632.db2.gz BZGXNAHRGSAJQU-CYBMUJFWSA-N 0 3 268.744 2.415 10 0 CEAEHN C[C@H](N)[C@H](c1ccco1)N(C)CCc1ccccn1 ZINC000043334605 175010493 /nfs/dbraw/zinc/01/04/93/175010493.db2.gz HQDSWRCYBVMNSU-SWLSCSKDSA-N 0 3 259.353 2.237 10 0 CEAEHN C[C@@H](N)[C@H](c1ccco1)N(C)CCc1ccncc1 ZINC000043335416 175011146 /nfs/dbraw/zinc/01/11/46/175011146.db2.gz HBDIFGLPRKUKLH-IUODEOHRSA-N 0 3 259.353 2.237 10 0 CEAEHN C[C@@H](N)[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1ccco1 ZINC000043337852 175012782 /nfs/dbraw/zinc/01/27/82/175012782.db2.gz LARCWPACZXGZNY-QMTHXVAHSA-N 0 3 295.360 2.150 10 0 CEAEHN C[C@@H](N)[C@@H](Oc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337398 175012847 /nfs/dbraw/zinc/01/28/47/175012847.db2.gz BIAKIBKSKBWCEB-YMTOWFKASA-N 0 3 261.277 2.476 10 0 CEAEHN NC[C@@H](OCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043342823 175016000 /nfs/dbraw/zinc/01/60/00/175016000.db2.gz HHDFYJZCJJRMPT-OAHLLOKOSA-N 0 3 272.304 2.027 10 0 CEAEHN NC[C@H](c1cccnc1)N1CCC[C@@H]1c1ccncc1 ZINC000043346745 175017474 /nfs/dbraw/zinc/01/74/74/175017474.db2.gz BJUVIZDJIIMZQX-HZPDHXFCSA-N 0 3 268.364 2.314 10 0 CEAEHN COc1cccc(CO[C@@H](CN)c2ccncc2)c1 ZINC000043355791 175023558 /nfs/dbraw/zinc/02/35/58/175023558.db2.gz HDMZPTQYVUWKFZ-HNNXBMFYSA-N 0 3 258.321 2.307 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)o1)N1CCOCC1(C)C ZINC000043364749 175025611 /nfs/dbraw/zinc/02/56/11/175025611.db2.gz IPKACPBMRDEUIQ-OCCSQVGLSA-N 0 3 266.385 2.477 10 0 CEAEHN Cc1ccc([C@@H](CN)Oc2cccc(S(C)(=O)=O)c2)o1 ZINC000043366993 175027198 /nfs/dbraw/zinc/02/71/98/175027198.db2.gz KMKARXKRUZWPRS-CQSZACIVSA-N 0 3 295.360 2.070 10 0 CEAEHN CCN(CCOC)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390546 175033545 /nfs/dbraw/zinc/03/35/45/175033545.db2.gz IIVUHDUEONHCPV-ZDUSSCGKSA-N 0 3 274.767 2.447 10 0 CEAEHN O=C1NCC[C@H]1NC1CC(c2ccc(Cl)cc2)C1 ZINC000658052601 415175452 /nfs/dbraw/zinc/17/54/52/415175452.db2.gz MOCKUUPWKYOHRX-KGPNIALWSA-N 0 3 264.756 2.064 10 0 CEAEHN CN[C@@H](CN(C)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000043813186 175111035 /nfs/dbraw/zinc/11/10/35/175111035.db2.gz ZDMIRVWZNJBUOK-AWEZNQCLSA-N 0 3 278.396 2.449 10 0 CEAEHN CCOc1ccc([C@H](CN2CCOC(C)(C)C2)NC)cc1 ZINC000043897677 175120395 /nfs/dbraw/zinc/12/03/95/175120395.db2.gz HGEKYUFXGQXVDD-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CC[C@@H](C)CN(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044800710 175255710 /nfs/dbraw/zinc/25/57/10/175255710.db2.gz RJJAISLYXPGSQH-HIFRSBDPSA-N 0 3 262.397 2.309 10 0 CEAEHN CCCC(CCC)(C(N)=S)C(=O)NC1CCN(C)CC1 ZINC000044836055 175262903 /nfs/dbraw/zinc/26/29/03/175262903.db2.gz OWGDHFFVPWKETB-UHFFFAOYSA-N 0 3 299.484 2.070 10 0 CEAEHN CNC(=O)CCN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000044990304 175286310 /nfs/dbraw/zinc/28/63/10/175286310.db2.gz JKSFLDUYPKQRCX-CQSZACIVSA-N 0 3 250.317 2.003 10 0 CEAEHN CC(C)CCNC(=O)[C@H](C)NCCOCCC(C)C ZINC000045106862 175308405 /nfs/dbraw/zinc/30/84/05/175308405.db2.gz WWYATYDAMTYJFB-AWEZNQCLSA-N 0 3 272.433 2.190 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045224598 175332922 /nfs/dbraw/zinc/33/29/22/175332922.db2.gz ZEOHBASBMAELOI-GUTXKFCHSA-N 0 3 270.417 2.196 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231215 175334955 /nfs/dbraw/zinc/33/49/55/175334955.db2.gz JAERGWAFVZDQJQ-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231215 175334957 /nfs/dbraw/zinc/33/49/57/175334957.db2.gz JAERGWAFVZDQJQ-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CC[NH2+][C@@](C)(CCN(C)C1CCCCC1)C(=O)[O-] ZINC000045231215 175334959 /nfs/dbraw/zinc/33/49/59/175334959.db2.gz JAERGWAFVZDQJQ-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCOC(=O)[C@](C)(CN1[C@@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231841 175335741 /nfs/dbraw/zinc/33/57/41/175335741.db2.gz SEMORHGQILERNZ-XEZPLFJOSA-N 0 3 282.428 2.323 10 0 CEAEHN CCOC(=O)[C@](N)(CN(CC)C(C)C)c1ccccc1 ZINC000045265374 175338275 /nfs/dbraw/zinc/33/82/75/175338275.db2.gz IVVHLVMFFBRLFT-INIZCTEOSA-N 0 3 278.396 2.134 10 0 CEAEHN CCN[C@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271956 175342329 /nfs/dbraw/zinc/34/23/29/175342329.db2.gz GOGKQVPTCHVGKJ-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271956 175342331 /nfs/dbraw/zinc/34/23/31/175342331.db2.gz GOGKQVPTCHVGKJ-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CC[NH2+][C@](C)(CCN(C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279988 175349894 /nfs/dbraw/zinc/34/98/94/175349894.db2.gz SXLBRGIPPLKMKG-GXTWGEPZSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@](C)(CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279988 175349895 /nfs/dbraw/zinc/34/98/95/175349895.db2.gz SXLBRGIPPLKMKG-GXTWGEPZSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279988 175349896 /nfs/dbraw/zinc/34/98/96/175349896.db2.gz SXLBRGIPPLKMKG-GXTWGEPZSA-N 0 3 258.406 2.196 10 0 CEAEHN CCOC(=O)[C@@](C)(N)CCCN1CCc2ccccc2C1 ZINC000045378781 175368637 /nfs/dbraw/zinc/36/86/37/175368637.db2.gz IBVCWSNWFVNNLV-KRWDZBQOSA-N 0 3 290.407 2.105 10 0 CEAEHN CCCCN(CCCC)C[C@H](NC)C(=O)OCC ZINC000045380499 175368837 /nfs/dbraw/zinc/36/88/37/175368837.db2.gz DEQMMUCVZIHZCV-ZDUSSCGKSA-N 0 3 258.406 2.040 10 0 CEAEHN COc1ccc2c(c1)CN(C(=O)[C@@]1(C)CCCCN1)C2 ZINC000655502647 415311639 /nfs/dbraw/zinc/31/16/39/415311639.db2.gz RYGSVUJIZWRBOF-MRXNPFEDSA-N 0 3 274.364 2.070 10 0 CEAEHN NCc1ccn(Cc2sccc2Br)n1 ZINC000070708215 176002473 /nfs/dbraw/zinc/00/24/73/176002473.db2.gz QWJNBDKAOFWBGE-UHFFFAOYSA-N 0 3 272.171 2.214 10 0 CEAEHN NCc1ccn(Cc2cccc(Br)c2)n1 ZINC000070708210 176002615 /nfs/dbraw/zinc/00/26/15/176002615.db2.gz CUUKXSAGHIUGID-UHFFFAOYSA-N 0 3 266.142 2.153 10 0 CEAEHN CCc1ccc([C@@H]2[C@@H](N)CCC(=O)N2C2CC2)s1 ZINC000070987205 176018709 /nfs/dbraw/zinc/01/87/09/176018709.db2.gz JNHBMTKHOWVMHI-FZMZJTMJSA-N 0 3 264.394 2.464 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc2ncccc2c1 ZINC000070987265 176018721 /nfs/dbraw/zinc/01/87/21/176018721.db2.gz XBYYVNCGAAUONO-RHSMWYFYSA-N 0 3 281.359 2.388 10 0 CEAEHN CCN[C@H]1CCN(CCC2CCC(C)CC2)C1=O ZINC000071029737 176022116 /nfs/dbraw/zinc/02/21/16/176022116.db2.gz FXOKVPGTAUXSIA-RUXDESIVSA-N 0 3 252.402 2.413 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1cccc(Br)c1 ZINC000071032526 176023489 /nfs/dbraw/zinc/02/34/89/176023489.db2.gz QHZCRGLZRIANPS-GFCCVEGCSA-N 0 3 295.180 2.306 10 0 CEAEHN C[C@@H](Cc1ccsc1)N1CC[C@H](NC2CC2)C1=O ZINC000071035406 176025227 /nfs/dbraw/zinc/02/52/27/176025227.db2.gz XZCPCOYCSGJWLA-GWCFXTLKSA-N 0 3 264.394 2.032 10 0 CEAEHN CC(C)N[C@H]1CCN(c2nc(C3CC3)cs2)C1=O ZINC000071036478 176026038 /nfs/dbraw/zinc/02/60/38/176026038.db2.gz ONJFJDVXEADDSR-JTQLQIEISA-N 0 3 265.382 2.124 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000071037935 176026712 /nfs/dbraw/zinc/02/67/12/176026712.db2.gz VRINPNPJCGUHPQ-SNVBAGLBSA-N 0 3 298.289 2.111 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc(OC(F)F)cc1 ZINC000071039452 176027278 /nfs/dbraw/zinc/02/72/78/176027278.db2.gz GSNRLLDGEBNHJW-GFCCVEGCSA-N 0 3 282.290 2.145 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1[C@H]1CCCc2sccc21 ZINC000071042760 176029081 /nfs/dbraw/zinc/02/90/81/176029081.db2.gz UMCPAFFPJLSWNM-OLZOCXBDSA-N 0 3 276.405 2.478 10 0 CEAEHN C[C@H](C1CCCC1)N1CCC[C@H](NC2CC2)C1=O ZINC000071043960 176029953 /nfs/dbraw/zinc/02/99/53/176029953.db2.gz LFUYUOOJFSYHGW-RISCZKNCSA-N 0 3 250.386 2.308 10 0 CEAEHN NCc1cnc(Oc2cccc3cccnc32)cn1 ZINC000071178341 176055745 /nfs/dbraw/zinc/05/57/45/176055745.db2.gz NEBZHVGWECPKGA-UHFFFAOYSA-N 0 3 252.277 2.276 10 0 CEAEHN CN1CC[C@H](Oc2c(Cl)cc(Cl)cc2CN)C1=O ZINC000071183004 176057898 /nfs/dbraw/zinc/05/78/98/176057898.db2.gz YPBVBDRQNGJFNU-JTQLQIEISA-N 0 3 289.162 2.062 10 0 CEAEHN CCNCc1cc(Cl)ccc1O[C@@H]1CCN(C)C1=O ZINC000071182834 176058021 /nfs/dbraw/zinc/05/80/21/176058021.db2.gz GYYUZRJINNAGJF-CYBMUJFWSA-N 0 3 282.771 2.059 10 0 CEAEHN O[C@@H](CNCc1ccccc1N1CCCC1)C1CC1 ZINC000071301709 176114433 /nfs/dbraw/zinc/11/44/33/176114433.db2.gz DWOCANZJGJKHIT-INIZCTEOSA-N 0 3 260.381 2.147 10 0 CEAEHN COc1ccc(OC)c([C@@H]2CNC[C@H](C3CC3)O2)c1 ZINC000071308632 176116043 /nfs/dbraw/zinc/11/60/43/176116043.db2.gz LJALLVFLBRDTAS-CABCVRRESA-N 0 3 263.337 2.143 10 0 CEAEHN OCCN1CCCN(c2ccccc2C(F)(F)F)CC1 ZINC000071349698 176133809 /nfs/dbraw/zinc/13/38/09/176133809.db2.gz YCKIFTNLUVWGJL-UHFFFAOYSA-N 0 3 288.313 2.210 10 0 CEAEHN Nc1ccn(CCN2CCC[C@@H]2c2ccccc2)n1 ZINC000071377915 176142831 /nfs/dbraw/zinc/14/28/31/176142831.db2.gz YXQKNYWNWQGQGI-CQSZACIVSA-N 0 3 256.353 2.302 10 0 CEAEHN Cc1ccc(O[C@@H](C)C(=O)N2CCCCC2)c(CN)c1 ZINC000071403400 176155016 /nfs/dbraw/zinc/15/50/16/176155016.db2.gz SBWAZNOVYZWCEU-ZDUSSCGKSA-N 0 3 276.380 2.234 10 0 CEAEHN CNCc1cc(C)ccc1O[C@H](C)C(=O)N1CCCCC1 ZINC000071403702 176155277 /nfs/dbraw/zinc/15/52/77/176155277.db2.gz BFPWYDQGEAQMJO-CQSZACIVSA-N 0 3 290.407 2.494 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@@H](C)C(=O)NCC ZINC000071406064 176155905 /nfs/dbraw/zinc/15/59/05/176155905.db2.gz UYQXXDWKMYEFML-LBPRGKRZSA-N 0 3 264.369 2.008 10 0 CEAEHN CNC(=O)CCOc1ccc(C)cc1CNC(C)C ZINC000071406549 176155940 /nfs/dbraw/zinc/15/59/40/176155940.db2.gz BQMCUYJWLYEXEF-UHFFFAOYSA-N 0 3 264.369 2.008 10 0 CEAEHN CCNCc1cc(C)ccc1OCC(=O)NC(C)(C)C ZINC000071406094 176156037 /nfs/dbraw/zinc/15/60/37/176156037.db2.gz NBOKVSOKYHEFPU-UHFFFAOYSA-N 0 3 278.396 2.398 10 0 CEAEHN Cc1ccncc1NC(=O)[C@@H](CN)c1ccccc1 ZINC000071414037 176159361 /nfs/dbraw/zinc/15/93/61/176159361.db2.gz WDJIDQCVYKULAU-ZDUSSCGKSA-N 0 3 255.321 2.071 10 0 CEAEHN CCCOc1cccn(CCN2CCCCC2)c1=O ZINC000071501653 176192565 /nfs/dbraw/zinc/19/25/65/176192565.db2.gz GDHJWMJYPNYHHN-UHFFFAOYSA-N 0 3 264.369 2.123 10 0 CEAEHN CCC1(CC)CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000662694202 415931910 /nfs/dbraw/zinc/93/19/10/415931910.db2.gz YCFLZWPLBHVYNZ-NWDGAFQWSA-N 0 3 256.365 2.115 10 0 CEAEHN CN[C@H](C)c1cn2c(cccc2Br)n1 ZINC000076792319 177097084 /nfs/dbraw/zinc/09/70/84/177097084.db2.gz YGNPXBPXJHTPNR-SSDOTTSWSA-N 0 3 254.131 2.377 10 0 CEAEHN CN[C@H](C)c1cn2ccc(Br)cc2n1 ZINC000076792945 177097741 /nfs/dbraw/zinc/09/77/41/177097741.db2.gz CSCMLYJUTALYPJ-SSDOTTSWSA-N 0 3 254.131 2.377 10 0 CEAEHN Cc1nccn1CCN1CCN(Cc2ccc(C)cc2)CC1 ZINC000077121673 177226638 /nfs/dbraw/zinc/22/66/38/177226638.db2.gz RTNGEQVOUFFMOE-UHFFFAOYSA-N 0 3 298.434 2.318 10 0 CEAEHN CSCCCNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000077569986 177281823 /nfs/dbraw/zinc/28/18/23/177281823.db2.gz QKAZSHCRNQYBKW-GFCCVEGCSA-N 0 3 275.462 2.015 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)Oc1ccccc1 ZINC000078597205 177358077 /nfs/dbraw/zinc/35/80/77/177358077.db2.gz WDBCGVYKGXFRQI-ZDUSSCGKSA-N 0 3 250.342 2.361 10 0 CEAEHN CCN(CC)C(=O)[C@H]1C[C@H](c2ccc(OC)cc2)CCN1 ZINC000080102194 177608238 /nfs/dbraw/zinc/60/82/38/177608238.db2.gz XPMQIMJIMPHVMW-GDBMZVCRSA-N 0 3 290.407 2.399 10 0 CEAEHN Cc1ccc(F)cc1[C@@H]1N[C@@H](C)C[C@@H](C)[C@@H]1C(N)=O ZINC000080105678 177608584 /nfs/dbraw/zinc/60/85/84/177608584.db2.gz SZWUVJPLUOQNID-OAACRXHESA-N 0 3 264.344 2.295 10 0 CEAEHN Cn1ncc(Cl)c1CN1CCC(c2ccn[nH]2)CC1 ZINC000187118878 270253534 /nfs/dbraw/zinc/25/35/34/270253534.db2.gz ZFHKXJUMECOXRS-UHFFFAOYSA-N 0 3 279.775 2.176 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC000179592134 260057215 /nfs/dbraw/zinc/05/72/15/260057215.db2.gz UMVWJRBWNXEKRC-BXUZGUMPSA-N 0 3 292.427 2.121 10 0 CEAEHN C[C@@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H](C)O1 ZINC000044293077 270229179 /nfs/dbraw/zinc/22/91/79/270229179.db2.gz GCPZTFOXILATOJ-CHWSQXEVSA-N 0 3 291.395 2.389 10 0 CEAEHN C[C@@H]1CN(c2ncc(Br)cc2Cl)CCN1 ZINC000114822637 274368943 /nfs/dbraw/zinc/36/89/43/274368943.db2.gz NFWOQVVKYUHCIW-SSDOTTSWSA-N 0 3 290.592 2.296 10 0 CEAEHN CC1(C)C[C@H]1N[C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000330250001 275870819 /nfs/dbraw/zinc/87/08/19/275870819.db2.gz GPKHTFWKHIBJEA-TZMCWYRMSA-N 0 3 283.379 2.428 10 0 CEAEHN CCC[C@@H](C(=O)N1CCS[C@@H](C)CC1)N(C)C ZINC000191351927 276020658 /nfs/dbraw/zinc/02/06/58/276020658.db2.gz NORMHLMFZSHGKM-RYUDHWBXSA-N 0 3 258.431 2.071 10 0 CEAEHN CN1C(=O)C[C@H](NCC2(O)CCCCC2)c2ccccc21 ZINC000087017010 277014168 /nfs/dbraw/zinc/01/41/68/277014168.db2.gz SDOJKFRRQUCJCY-AWEZNQCLSA-N 0 3 288.391 2.379 10 0 CEAEHN COC(=O)[C@@H](C)CN1CCc2sccc2[C@@H]1C ZINC000217574992 277074904 /nfs/dbraw/zinc/07/49/04/277074904.db2.gz UGIGEDOCVYIGPA-UWVGGRQHSA-N 0 3 253.367 2.476 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000174191315 277216204 /nfs/dbraw/zinc/21/62/04/277216204.db2.gz JSEYLUOLHSZCKH-LLVKDONJSA-N 0 3 283.334 2.437 10 0 CEAEHN CON1C(=O)CCC12CCN(Cc1ccccc1)CC2 ZINC000072148174 277273736 /nfs/dbraw/zinc/27/37/36/277273736.db2.gz VFKOTPICCCPMBR-UHFFFAOYSA-N 0 3 274.364 2.205 10 0 CEAEHN C[C@@H](C(=O)N[C@@H]1COc2ccccc21)N1[C@H](C)CC[C@@H]1C ZINC000101662930 278210776 /nfs/dbraw/zinc/21/07/76/278210776.db2.gz WSMOGIXGNUZXPD-SFDCQRBFSA-N 0 3 288.391 2.498 10 0 CEAEHN CCCS(=O)(=O)[N-]c1ccccc1[C@@H](C)[NH2+]C ZINC000035645000 278852448 /nfs/dbraw/zinc/85/24/48/278852448.db2.gz NJUSVIUNIXKBPK-SNVBAGLBSA-N 0 3 256.371 2.119 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CCc2cc(F)ccc21 ZINC000282129126 279026997 /nfs/dbraw/zinc/02/69/97/279026997.db2.gz BIBHQXMRJSAPDI-QCZZGDTMSA-N 0 3 262.328 2.070 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]CC2CCCCCC2)C1 ZINC000263479300 279059344 /nfs/dbraw/zinc/05/93/44/279059344.db2.gz FYQTXOLYFDTWKG-UHFFFAOYSA-N 0 3 282.428 2.484 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NCC2CCCCCC2)C1 ZINC000263479300 279059346 /nfs/dbraw/zinc/05/93/46/279059346.db2.gz FYQTXOLYFDTWKG-UHFFFAOYSA-N 0 3 282.428 2.484 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NCC2CCCCCC2)C1 ZINC000263479300 279059348 /nfs/dbraw/zinc/05/93/48/279059348.db2.gz FYQTXOLYFDTWKG-UHFFFAOYSA-N 0 3 282.428 2.484 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000263524103 279059428 /nfs/dbraw/zinc/05/94/28/279059428.db2.gz SMDSJUHKIRHQJK-XOEAPDPESA-N 0 3 282.428 2.338 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1F ZINC000175348205 279301275 /nfs/dbraw/zinc/30/12/75/279301275.db2.gz FFLMDJHOTSLATQ-CYBMUJFWSA-N 0 3 293.386 2.180 10 0 CEAEHN Cn1cc(CN2CCN3CCCC[C@H]3C2)c(C(C)(C)C)n1 ZINC000245855514 279335848 /nfs/dbraw/zinc/33/58/48/279335848.db2.gz NKGCNOXGLRNHET-HNNXBMFYSA-N 0 3 290.455 2.388 10 0 CEAEHN C[C@H]1CCN(C(=O)c2n[nH]c3c2CNCC3)c2ccccc21 ZINC000188389611 279706262 /nfs/dbraw/zinc/70/62/62/279706262.db2.gz AEVMRJDFXTVQCO-NSHDSACASA-N 0 3 296.374 2.209 10 0 CEAEHN CC(C)CSCCCNC(=O)N1CC[C@H](N(C)C)C1 ZINC000129925087 279925448 /nfs/dbraw/zinc/92/54/48/279925448.db2.gz RBHRPQAZVOWFQK-ZDUSSCGKSA-N 0 3 287.473 2.111 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1c(F)cccc1F ZINC000134602323 280026931 /nfs/dbraw/zinc/02/69/31/280026931.db2.gz DMRSGSIJHFUKCU-MNOVXSKESA-N 0 3 282.334 2.231 10 0 CEAEHN CN1CCO[C@@H](CNCc2ccc(C(F)F)cc2)C1 ZINC000150179843 280079614 /nfs/dbraw/zinc/07/96/14/280079614.db2.gz YTGNQGRSAXRWMP-ZDUSSCGKSA-N 0 3 270.323 2.044 10 0 CEAEHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246120535 280275203 /nfs/dbraw/zinc/27/52/03/280275203.db2.gz VFQGTBBTNGLRIB-RQJABVFESA-N 0 3 267.417 2.157 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@@H]3CCCC[C@H]3C2)C1 ZINC000246744267 280308604 /nfs/dbraw/zinc/30/86/04/280308604.db2.gz WUHKNNSBWYUASV-KKUMJFAQSA-N 0 3 279.428 2.302 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@H]1C ZINC000247505705 280332320 /nfs/dbraw/zinc/33/23/20/280332320.db2.gz OLKJZQRPDPDRBW-QPSCCSFWSA-N 0 3 279.428 2.301 10 0 CEAEHN C[C@H](CN(C)C[C@@H](O)COC(C)(C)C)c1nccs1 ZINC000248475676 280349230 /nfs/dbraw/zinc/34/92/30/280349230.db2.gz XWWKKEGRPIITPV-VXGBXAGGSA-N 0 3 286.441 2.354 10 0 CEAEHN CC1(C)CC[C@@](NCC2CC2)(C(N)=O)c2ccccc21 ZINC000038000929 281116276 /nfs/dbraw/zinc/11/62/76/281116276.db2.gz RNIYEGJHRODARN-KRWDZBQOSA-N 0 3 272.392 2.438 10 0 CEAEHN CCC[C@H](C(=O)N(C)CCN(C)c1ccccc1)N(C)C ZINC000153628734 289118197 /nfs/dbraw/zinc/11/81/97/289118197.db2.gz OWKLBQLOSHOOIF-MRXNPFEDSA-N 0 3 291.439 2.312 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](C)C1 ZINC000155404500 289173254 /nfs/dbraw/zinc/17/32/54/289173254.db2.gz XIFFUPJOUGHSNL-CABZTGNLSA-N 0 3 269.776 2.127 10 0 CEAEHN CCc1noc(C)c1NC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155736158 289181684 /nfs/dbraw/zinc/18/16/84/289181684.db2.gz MDABXNWBMRXPJC-GWCFXTLKSA-N 0 3 294.399 2.396 10 0 CEAEHN CCN(CCc1nccs1)C[C@@H](O)COC(C)(C)C ZINC000159300420 289250316 /nfs/dbraw/zinc/25/03/16/289250316.db2.gz XYOMNXAKLXZFBW-GFCCVEGCSA-N 0 3 286.441 2.184 10 0 CEAEHN C[C@H](CCN[C@@H](C)c1cnccn1)NC(=O)OC(C)(C)C ZINC000180519922 298439848 /nfs/dbraw/zinc/43/98/48/298439848.db2.gz VNQBVTMNTAZQKK-NEPJUHHUSA-N 0 3 294.399 2.431 10 0 CEAEHN COc1ccccc1N1CCC(NCc2ncc[nH]2)CC1 ZINC000171380822 312668142 /nfs/dbraw/zinc/66/81/42/312668142.db2.gz FJNWSKBWDFQARU-UHFFFAOYSA-N 0 3 286.379 2.177 10 0 CEAEHN COc1c(CN[C@H]2C[C@](C)(OC)C2(C)C)c(C)nn1C ZINC000174135219 312686953 /nfs/dbraw/zinc/68/69/53/312686953.db2.gz XWEKBQATCZTAML-WFASDCNBSA-N 0 3 281.400 2.030 10 0 CEAEHN CCc1nnc(CNC2[C@H](C)CCC[C@H]2C)n1C ZINC000182721553 312830094 /nfs/dbraw/zinc/83/00/94/312830094.db2.gz BBUYUJBONCLWTI-GHMZBOCLSA-N 0 3 250.390 2.292 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC1CCSCC1 ZINC000195473659 321820282 /nfs/dbraw/zinc/82/02/82/321820282.db2.gz JEQLKBPKHOTNHE-CYBMUJFWSA-N 0 3 287.473 2.158 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@H]2NCc3ccccc3[C@H]2C1 ZINC000238109668 333182988 /nfs/dbraw/zinc/18/29/88/333182988.db2.gz SIFXOCTVGYHNIX-ZIAGYGMSSA-N 0 3 274.364 2.493 10 0 CEAEHN CC(C)CN1CCN(C[C@H]2CCCCC2=O)CC1 ZINC000055081605 519726435 /nfs/dbraw/zinc/72/64/35/519726435.db2.gz SEGGQKABWGBSAX-CQSZACIVSA-N 0 3 252.402 2.019 10 0 CEAEHN CC(C)N[C@](C)(C[C@H](C)Oc1cccc(F)c1)C(N)=O ZINC000068656703 519740212 /nfs/dbraw/zinc/74/02/12/519740212.db2.gz LIOPCUWXCVCMPH-XHDPSFHLSA-N 0 3 282.359 2.225 10 0 CEAEHN CC(C)CNCc1nc(CN2CCOCC2(C)C)cs1 ZINC000052546024 519748256 /nfs/dbraw/zinc/74/82/56/519748256.db2.gz SOISCDJOMYRWOE-UHFFFAOYSA-N 0 3 297.468 2.500 10 0 CEAEHN CC(C)[C@@H](CN(C)C)Nc1nc(Cl)nc(Cl)n1 ZINC000061518663 519794036 /nfs/dbraw/zinc/79/40/36/519794036.db2.gz RPZVVRKEMSYXRT-SSDOTTSWSA-N 0 3 278.187 2.177 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1O[C@H](C)C(N)=O ZINC000062747398 519988678 /nfs/dbraw/zinc/98/86/78/519988678.db2.gz JHUVMBXDOPDTIT-VHSXEESVSA-N 0 3 268.332 2.139 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)OC ZINC000062746746 520076209 /nfs/dbraw/zinc/07/62/09/520076209.db2.gz LBAUHVRFKODXRF-VHSXEESVSA-N 0 3 269.316 2.437 10 0 CEAEHN CCCN[C@H]1COc2cc(OC[C@H](O)CC)ccc21 ZINC000062805118 520098479 /nfs/dbraw/zinc/09/84/79/520098479.db2.gz VHZOSWDHGJIHCZ-RISCZKNCSA-N 0 3 265.353 2.269 10 0 CEAEHN CCCN[C@](C)(CN1CCC(CCC)CC1)C(=O)OC ZINC000050905664 520106983 /nfs/dbraw/zinc/10/69/83/520106983.db2.gz KIYRCMZOZAVTAT-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCCNC(=O)COc1ccc(Cl)cc1CN ZINC000049279679 520624087 /nfs/dbraw/zinc/62/40/87/520624087.db2.gz BCRGOLLIYBEOPY-UHFFFAOYSA-N 0 3 270.760 2.094 10 0 CEAEHN CCCc1nc(N(CCOC)C2CC2)sc1CNC ZINC000055000300 521531097 /nfs/dbraw/zinc/53/10/97/521531097.db2.gz HVCKZTFEMDAHQA-UHFFFAOYSA-N 0 3 283.441 2.430 10 0 CEAEHN CNCc1cc(CN2C[C@@H](C)OC(C)(C)C2)oc1C ZINC000052543446 522108051 /nfs/dbraw/zinc/10/80/51/522108051.db2.gz MFHABHBGIITQNT-LLVKDONJSA-N 0 3 266.385 2.307 10 0 CEAEHN CN[C@@H](C)c1cnn(CCCOCC(F)(F)F)c1 ZINC000054721026 522337754 /nfs/dbraw/zinc/33/77/54/522337754.db2.gz ODVNPAJZFBQXHA-VIFPVBQESA-N 0 3 265.279 2.133 10 0 CEAEHN CCCC[S@@](=O)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000084038203 517573090 /nfs/dbraw/zinc/57/30/90/517573090.db2.gz HEADSBPWVUZEOR-GLJUWKHASA-N 0 3 267.394 2.257 10 0 CEAEHN C/C=C/COc1ccc(CNCCOC)cc1OC ZINC000062731944 518518109 /nfs/dbraw/zinc/51/81/09/518518109.db2.gz MEKXCVXKNBFSPX-SNAWJCMRSA-N 0 3 265.353 2.386 10 0 CEAEHN CC(C)(C)n1ccnc(Oc2ccccc2CN)c1=O ZINC000061770569 519167962 /nfs/dbraw/zinc/16/79/62/519167962.db2.gz YPFLXDCLXSAHSV-UHFFFAOYSA-N 0 3 273.336 2.249 10 0 CEAEHN CC(C)N(Cc1cccnc1C(N)=S)CC1CC1 ZINC000061663555 519659556 /nfs/dbraw/zinc/65/95/56/519659556.db2.gz LLVMPEVYXPVDCM-UHFFFAOYSA-N 0 3 263.410 2.336 10 0 CEAEHN CC(C)CCS(=O)(=O)Nc1ccc2c(c1)CNCC2 ZINC000069052778 519677088 /nfs/dbraw/zinc/67/70/88/519677088.db2.gz YISVWZKSQUFQLK-UHFFFAOYSA-N 0 3 282.409 2.120 10 0 CEAEHN CC(C)NC(=O)[C@H](CN)Cc1cc2ccccc2o1 ZINC000068811033 519715586 /nfs/dbraw/zinc/71/55/86/519715586.db2.gz RPJJZGOTIBMVQX-LBPRGKRZSA-N 0 3 260.337 2.075 10 0 CEAEHN CC(C)NCc1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068875957 519727669 /nfs/dbraw/zinc/72/76/69/519727669.db2.gz VCKOVAZQKDIURW-GFCCVEGCSA-N 0 3 277.286 2.487 10 0 CEAEHN CC(C)N[C@@](COCC1CCCCC1)(C(N)=O)C1CC1 ZINC000069198427 519737703 /nfs/dbraw/zinc/73/77/03/519737703.db2.gz PCXWWPCXFZWYAX-MRXNPFEDSA-N 0 3 282.428 2.215 10 0 CEAEHN CC(C)N[C@H](CCSc1ccc(F)cc1F)C(N)=O ZINC000062597056 519738581 /nfs/dbraw/zinc/73/85/81/519738581.db2.gz WLQWPOBTQYBOFW-LLVKDONJSA-N 0 3 288.363 2.299 10 0 CEAEHN CC(=O)Nc1ccccc1Oc1ccnc(CN)c1 ZINC000061811944 519751635 /nfs/dbraw/zinc/75/16/35/519751635.db2.gz PFFPODDARFZIJD-UHFFFAOYSA-N 0 3 257.293 2.291 10 0 CEAEHN CC(C)[C@H](CN(C)C)NCc1cccc2c1OCO2 ZINC000049197701 519814650 /nfs/dbraw/zinc/81/46/50/519814650.db2.gz NKGQCMUCTRWUGP-ZDUSSCGKSA-N 0 3 264.369 2.091 10 0 CEAEHN CC(C)c1ccc([C@H](N)Cn2ncccc2=O)cc1 ZINC000061402682 519840109 /nfs/dbraw/zinc/84/01/09/519840109.db2.gz POEYRTDHGJVINK-CQSZACIVSA-N 0 3 257.337 2.067 10 0 CEAEHN CC(C)[C@H](CN(C)C)N1C(=S)N=NC1C(C)C ZINC000049219756 519890948 /nfs/dbraw/zinc/89/09/48/519890948.db2.gz RJYDVDUJVSWQBY-JTQLQIEISA-N 0 3 256.419 2.449 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(F)cc(F)c1F ZINC000061299560 519906896 /nfs/dbraw/zinc/90/68/96/519906896.db2.gz DEIYVHXKHZQMFX-UHFFFAOYSA-N 0 3 260.259 2.431 10 0 CEAEHN CCCNCc1c(C)nc(-c2ncccn2)nc1C ZINC000054854239 519943304 /nfs/dbraw/zinc/94/33/04/519943304.db2.gz YMGGPKFCQDKQSB-UHFFFAOYSA-N 0 3 257.341 2.050 10 0 CEAEHN CCNCc1cc(-c2ccc(OCCOC)cc2)n[nH]1 ZINC000066113052 519985833 /nfs/dbraw/zinc/98/58/33/519985833.db2.gz DEZHCUHANCXWKB-UHFFFAOYSA-N 0 3 275.352 2.211 10 0 CEAEHN CCC[NH2+][C@@H](CCN1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000062530948 520002556 /nfs/dbraw/zinc/00/25/56/520002556.db2.gz QWWBSBODFZDLRR-HOTGVXAUSA-N 0 3 290.407 2.319 10 0 CEAEHN CCCN[C@@H](CCOc1ccc(OCCC)cc1)C(N)=O ZINC000062594350 520005073 /nfs/dbraw/zinc/00/50/73/520005073.db2.gz YBJLXHPFXYSCMR-HNNXBMFYSA-N 0 3 294.395 2.098 10 0 CEAEHN CCNCc1nccn1CCCOc1ccccc1 ZINC000061816289 520023803 /nfs/dbraw/zinc/02/38/03/520023803.db2.gz WYVCEKPFQDVWQA-UHFFFAOYSA-N 0 3 259.353 2.462 10 0 CEAEHN CCCN[C@H](C)c1cnc(-c2ncccn2)nc1C ZINC000054963079 520067321 /nfs/dbraw/zinc/06/73/21/520067321.db2.gz MLHFLPPNSMMQBW-SNVBAGLBSA-N 0 3 257.341 2.303 10 0 CEAEHN CCCN[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000062365967 520067645 /nfs/dbraw/zinc/06/76/45/520067645.db2.gz NKTTUOKYXKGHNV-SECBINFHSA-N 0 3 261.325 2.395 10 0 CEAEHN CCN[C@@H](C)c1ccccc1OC[C@@H](O)COCC ZINC000069275294 520077641 /nfs/dbraw/zinc/07/76/41/520077641.db2.gz PCHWRERANYGLDS-STQMWFEESA-N 0 3 267.369 2.133 10 0 CEAEHN CCCN[C@H](CN1CCN(C)C1=O)c1ccccc1C ZINC000052885776 520083284 /nfs/dbraw/zinc/08/32/84/520083284.db2.gz HHINVFLOSDDXQG-OAHLLOKOSA-N 0 3 275.396 2.403 10 0 CEAEHN CCCN[C@H](CS(C)(=O)=O)c1ccc(C)cc1C ZINC000054930571 520085099 /nfs/dbraw/zinc/08/50/99/520085099.db2.gz NLVCUGWFIRXDPQ-CQSZACIVSA-N 0 3 269.410 2.389 10 0 CEAEHN CCCN[C@H](c1cc(C)oc1C)[C@H]1COCCO1 ZINC000055301233 520089240 /nfs/dbraw/zinc/08/92/40/520089240.db2.gz STALXKBCUWVRMI-ZIAGYGMSSA-N 0 3 253.342 2.353 10 0 CEAEHN CCN[C@@H](CCOc1ccccc1[C@@H](C)CC)C(N)=O ZINC000062551007 520094500 /nfs/dbraw/zinc/09/45/00/520094500.db2.gz OOUSZRCTBGPGEC-JSGCOSHPSA-N 0 3 278.396 2.432 10 0 CEAEHN CCCN[C@H]1COc2cc(OCC(=O)NC(C)C)ccc21 ZINC000062805228 520097404 /nfs/dbraw/zinc/09/74/04/520097404.db2.gz MVHWEXJVAKHVCF-AWEZNQCLSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCN[C@H]1c2ccc(OC)cc2CC[C@@H]1S(C)(=O)=O ZINC000054930621 520097842 /nfs/dbraw/zinc/09/78/42/520097842.db2.gz YJJFKQZWRJAIOF-GJZGRUSLSA-N 0 3 297.420 2.095 10 0 CEAEHN CCCN[C@H]1COc2cc(O[C@@H](C)C(=O)OC)ccc21 ZINC000062805016 520098259 /nfs/dbraw/zinc/09/82/59/520098259.db2.gz XTOLWBQCCVQZNN-GWCFXTLKSA-N 0 3 279.336 2.060 10 0 CEAEHN CCCN[C@H]1COc2cc(O[C@@H](C)C(=O)NCC)ccc21 ZINC000062805180 520098604 /nfs/dbraw/zinc/09/86/04/520098604.db2.gz DEVVNLMRNIJABN-FZMZJTMJSA-N 0 3 292.379 2.023 10 0 CEAEHN CCN[C@@H](Cc1csc(C)n1)c1ccnn1C ZINC000069467901 520105564 /nfs/dbraw/zinc/10/55/64/520105564.db2.gz XLJLZAOPYHRSGF-NSHDSACASA-N 0 3 250.371 2.078 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1OC)[C@H]1COCCO1 ZINC000055300885 520107252 /nfs/dbraw/zinc/10/72/52/520107252.db2.gz HVBUBHNZEQVIRV-CABCVRRESA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702652 520118486 /nfs/dbraw/zinc/11/84/86/520118486.db2.gz KTUAHBHUMDULOT-ZIAGYGMSSA-N 0 3 267.394 2.381 10 0 CEAEHN CCN[C@@](CN1CCC(C)(CC)CC1)(C(=O)OC)C1CC1 ZINC000069232505 520151506 /nfs/dbraw/zinc/15/15/06/520151506.db2.gz XOXZJWAHGYTZAM-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCN[C@H](CCN1CCC(CC)CC1)C(=O)OCC ZINC000062526316 520189552 /nfs/dbraw/zinc/18/95/52/520189552.db2.gz OYAWHYIJJSNZNJ-CQSZACIVSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@H](c1ccc(Cl)s1)[C@H]1COCCO1 ZINC000055300159 520207391 /nfs/dbraw/zinc/20/73/91/520207391.db2.gz KOMCAIXWMZSGRX-KCJUWKMLSA-N 0 3 261.774 2.468 10 0 CEAEHN CCN[C@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1CCCCO1 ZINC000050962214 520209612 /nfs/dbraw/zinc/20/96/12/520209612.db2.gz WQLYJWHGZSWJRI-GXTWGEPZSA-N 0 3 276.336 2.341 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1cccc(OCC)c1)C(N)=O ZINC000068658305 520237395 /nfs/dbraw/zinc/23/73/95/520237395.db2.gz ISDMGADESMWQIB-MLGOLLRUSA-N 0 3 294.395 2.096 10 0 CEAEHN CCO[C@@H]1CCCN(Cc2cc(CNC)c(C)o2)C1 ZINC000052372147 520320036 /nfs/dbraw/zinc/32/00/36/520320036.db2.gz PCSSBTHPJPZNHU-CQSZACIVSA-N 0 3 266.385 2.308 10 0 CEAEHN CCNc1ccccc1C(=O)N[C@@H](CN(C)C)C(C)C ZINC000050779762 520339497 /nfs/dbraw/zinc/33/94/97/520339497.db2.gz CMPFOIAESJHFEC-HNNXBMFYSA-N 0 3 277.412 2.434 10 0 CEAEHN CCNc1ncccc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000050791188 520374572 /nfs/dbraw/zinc/37/45/72/520374572.db2.gz LELLMIIYHRYULG-CYBMUJFWSA-N 0 3 290.411 2.118 10 0 CEAEHN CCCOc1ccc(C[C@H](CN)C(=O)NC(C)C)cc1 ZINC000052919419 520376705 /nfs/dbraw/zinc/37/67/05/520376705.db2.gz DERQNJNUNOUIPA-CQSZACIVSA-N 0 3 278.396 2.117 10 0 CEAEHN CCCOc1ccc(C[C@@H](CN)C(=O)N(CC)CC)cc1 ZINC000052919429 520377872 /nfs/dbraw/zinc/37/78/72/520377872.db2.gz KSLIMIRABVHOPV-HNNXBMFYSA-N 0 3 292.423 2.461 10 0 CEAEHN CCCOc1cccc([C@H](CO)NCCN(CC)CC)c1 ZINC000052921991 520468867 /nfs/dbraw/zinc/46/88/67/520468867.db2.gz QKBXXQPRYCPWAA-KRWDZBQOSA-N 0 3 294.439 2.440 10 0 CEAEHN CCN(CC)C(=O)COc1cc(F)ccc1[C@H](C)N ZINC000062745855 520490854 /nfs/dbraw/zinc/49/08/54/520490854.db2.gz SENUFDUQBZZBPC-JTQLQIEISA-N 0 3 268.332 2.093 10 0 CEAEHN CC1(C)CN([C@@H](CN)c2ccc3ncccc3c2)CCO1 ZINC000069502520 520492082 /nfs/dbraw/zinc/49/20/82/520492082.db2.gz GXZUUJRGKFLIPI-INIZCTEOSA-N 0 3 285.391 2.345 10 0 CEAEHN CCN(CC1CC1)[C@H](CN)c1cc(OC)ccc1OC ZINC000069237595 520968095 /nfs/dbraw/zinc/96/80/95/520968095.db2.gz DJZICVYJEXJEFV-OAHLLOKOSA-N 0 3 278.396 2.436 10 0 CEAEHN CCOC(=O)[C@@](C)(C[C@H](C)N1CCCCC1)NC1CC1 ZINC000068620338 521149640 /nfs/dbraw/zinc/14/96/40/521149640.db2.gz LZYWACPSFCCKQL-XJKSGUPXSA-N 0 3 282.428 2.325 10 0 CEAEHN CCCC[C@H](C)NS(=O)(=O)c1cccc2c1CCNC2 ZINC000050889780 521149749 /nfs/dbraw/zinc/14/97/49/521149749.db2.gz PJPSXBOKBZJXBZ-LBPRGKRZSA-N 0 3 296.436 2.189 10 0 CEAEHN CCC(=O)Nc1ccc(C)c(NC(=O)C(C)(C)NC)c1 ZINC000061300704 521199865 /nfs/dbraw/zinc/19/98/65/521199865.db2.gz DHFXCOAANUEKSH-UHFFFAOYSA-N 0 3 277.368 2.280 10 0 CEAEHN CCOc1ccc([C@@H](NC)[C@@H]2COCCO2)cc1OCC ZINC000055299470 521231007 /nfs/dbraw/zinc/23/10/07/521231007.db2.gz JTQDPKPSUUQUCI-JKSUJKDBSA-N 0 3 295.379 2.160 10 0 CEAEHN CCOc1cccc(CNCCOC)c1OCCCOC ZINC000062732759 521361577 /nfs/dbraw/zinc/36/15/77/521361577.db2.gz WIJNNYZTANIQRO-UHFFFAOYSA-N 0 3 297.395 2.237 10 0 CEAEHN CCOc1ccccc1CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000155561369 521473889 /nfs/dbraw/zinc/47/38/89/521473889.db2.gz JAWVXAVCFFKIQT-SWLSCSKDSA-N 0 3 278.396 2.117 10 0 CEAEHN CCN1C(=O)C[C@H](N)[C@@H]1c1c(F)cccc1Cl ZINC000062209196 521525128 /nfs/dbraw/zinc/52/51/28/521525128.db2.gz YUVFMRWUTFWWJY-JOYOIKCWSA-N 0 3 256.708 2.100 10 0 CEAEHN CCCc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1CNC ZINC000054995519 521533750 /nfs/dbraw/zinc/53/37/50/521533750.db2.gz QPPDBARBVBJYPN-QWRGUYRKSA-N 0 3 283.441 2.429 10 0 CEAEHN CCCC1N=NC(=S)N1[C@H](C)CN1CCCC1 ZINC000049184516 521569827 /nfs/dbraw/zinc/56/98/27/521569827.db2.gz KJPPWWWGGMMZIV-SNVBAGLBSA-N 0 3 254.403 2.176 10 0 CEAEHN CCN1CCN(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560752 521685669 /nfs/dbraw/zinc/68/56/69/521685669.db2.gz MQORBXSUWZGWHT-JYJNAYRXSA-N 0 3 268.445 2.057 10 0 CEAEHN COc1c(C)cnc(CN[C@@H](C)CN2CCCC2)c1C ZINC000049180428 521811906 /nfs/dbraw/zinc/81/19/06/521811906.db2.gz FOEUNLNAMJOBHY-ZDUSSCGKSA-N 0 3 277.412 2.281 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2c(F)cccc2F)c[nH]1 ZINC000052811234 521833441 /nfs/dbraw/zinc/83/34/41/521833441.db2.gz RMCMAPVYKAZIBG-SNVBAGLBSA-N 0 3 267.279 2.391 10 0 CEAEHN CNCc1sc(N2CCC(OC)CC2)nc1C1CC1 ZINC000069146987 522167780 /nfs/dbraw/zinc/16/77/80/522167780.db2.gz QWFPLGAAOZUXIB-UHFFFAOYSA-N 0 3 281.425 2.355 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC1CC1 ZINC000062746502 522333619 /nfs/dbraw/zinc/33/36/19/522333619.db2.gz KIVVYXBSMJTCPF-UWVGGRQHSA-N 0 3 280.343 2.152 10 0 CEAEHN CN[C@@H](CCOc1ccc(C(C)(C)C)cc1C)C(N)=O ZINC000062594759 522347521 /nfs/dbraw/zinc/34/75/21/522347521.db2.gz ZNTUZYBWELTMQF-ZDUSSCGKSA-N 0 3 278.396 2.135 10 0 CEAEHN CC[C@H](NC)c1cccc(S(=O)(=O)NC2CCC2)c1 ZINC000052212706 522556063 /nfs/dbraw/zinc/55/60/63/522556063.db2.gz CEXBXTWLMUTFJC-AWEZNQCLSA-N 0 3 282.409 2.188 10 0 CEAEHN CN(CC(F)(F)F)c1nc2c(s1)[C@@H](N)CCC2 ZINC000054896140 522577540 /nfs/dbraw/zinc/57/75/40/522577540.db2.gz LOSZVIFWSGAQOC-LURJTMIESA-N 0 3 265.304 2.478 10 0 CEAEHN CNc1ccc(C)cc1C(=O)NCCN1CCCCC1 ZINC000053003327 522603541 /nfs/dbraw/zinc/60/35/41/522603541.db2.gz MWHVJFBEKZJIRR-UHFFFAOYSA-N 0 3 275.396 2.252 10 0 CEAEHN CC[C@@H](NC(=O)[C@H]1CCCCN1)c1cccs1 ZINC000049532090 522769052 /nfs/dbraw/zinc/76/90/52/522769052.db2.gz KOCSXBYOYPBAIN-GHMZBOCLSA-N 0 3 252.383 2.458 10 0 CEAEHN CC[C@@H](N[C@H](C)c1cccc(Br)c1)C(N)=O ZINC000061676815 522939059 /nfs/dbraw/zinc/93/90/59/522939059.db2.gz LIEPTAIIHDREQJ-LDYMZIIASA-N 0 3 285.185 2.364 10 0 CEAEHN CN(Cc1cc(F)ccc1C(N)=S)C[C@@H]1CCCOC1 ZINC000069403302 523179347 /nfs/dbraw/zinc/17/93/47/523179347.db2.gz ZNWMXNBRZNHVIO-NSHDSACASA-N 0 3 296.411 2.318 10 0 CEAEHN CN(Cc1cccc(F)c1)Cc1ccnc(C(=N)N)c1 ZINC000068761070 523312446 /nfs/dbraw/zinc/31/24/46/523312446.db2.gz PRPKICUEABQZNU-UHFFFAOYSA-N 0 3 272.327 2.137 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1cccc2cccnc21 ZINC000069502532 523334540 /nfs/dbraw/zinc/33/45/40/523334540.db2.gz HMULLCBSNMREDZ-HOCLYGCPSA-N 0 3 285.391 2.345 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1Cc1cc(C)c(CNC)o1 ZINC000052571294 523343937 /nfs/dbraw/zinc/34/39/37/523343937.db2.gz SOBJLPNAAOGTKZ-STQMWFEESA-N 0 3 266.385 2.307 10 0 CEAEHN CN(Cc1ccccc1F)c1ncc(CN)s1 ZINC000054897892 523373233 /nfs/dbraw/zinc/37/32/33/523373233.db2.gz SJXJBMPUFBPQKV-UHFFFAOYSA-N 0 3 251.330 2.377 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(CN)oc1C ZINC000052571057 523506886 /nfs/dbraw/zinc/50/68/86/523506886.db2.gz RLTUJPFTXNLYBK-GXFFZTMASA-N 0 3 252.358 2.046 10 0 CEAEHN CCc1c(C)nn([C@H](C)C[C@](C)(NC2CC2)C(N)=O)c1C ZINC000068649183 523716558 /nfs/dbraw/zinc/71/65/58/523716558.db2.gz GCQDTQMYXRISHM-HWPZZCPQSA-N 0 3 292.427 2.009 10 0 CEAEHN CCn1nccc1[C@@H](Cc1csc(C)n1)NC ZINC000069472260 523744491 /nfs/dbraw/zinc/74/44/91/523744491.db2.gz GWLONSKLKZNVTH-LLVKDONJSA-N 0 3 250.371 2.171 10 0 CEAEHN COCCN(Cc1ccc(Cl)cc1N)[C@H](C)COC ZINC000050443189 523748965 /nfs/dbraw/zinc/74/89/65/523748965.db2.gz XLSYBYCKNTTZDN-LLVKDONJSA-N 0 3 286.803 2.406 10 0 CEAEHN CN1CCN(C[C@@H](N)c2cccc3ccccc32)C1=O ZINC000052885752 523905548 /nfs/dbraw/zinc/90/55/48/523905548.db2.gz HBWYTPRRBDPMRW-OAHLLOKOSA-N 0 3 269.348 2.207 10 0 CEAEHN COCCNC[C@H](O)c1ccc2cc(OC)ccc2c1 ZINC000055030455 523943596 /nfs/dbraw/zinc/94/35/96/523943596.db2.gz AEUORXXSXCVLPW-INIZCTEOSA-N 0 3 275.348 2.118 10 0 CEAEHN COCCNCc1cc(C)c(OCCCCO)c(C)c1 ZINC000062728699 523948740 /nfs/dbraw/zinc/94/87/40/523948740.db2.gz GXQFSNHRROBZIF-UHFFFAOYSA-N 0 3 281.396 2.191 10 0 CEAEHN COCCNCc1c(N2CCC[C@@H]2C)nc2ccccn21 ZINC000062736505 523949115 /nfs/dbraw/zinc/94/91/15/523949115.db2.gz AEOSDRRAJUQRTM-ZDUSSCGKSA-N 0 3 288.395 2.059 10 0 CEAEHN COCCNCc1ccccc1N1CCCO[C@@H](C)C1 ZINC000062738378 523955886 /nfs/dbraw/zinc/95/58/86/523955886.db2.gz CAKUPRMZZZFUQW-AWEZNQCLSA-N 0 3 278.396 2.038 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2cc(F)ccc2N)CC1 ZINC000055063400 523956227 /nfs/dbraw/zinc/95/62/27/523956227.db2.gz LOVQTZKFKRBQFJ-LBPRGKRZSA-N 0 3 265.376 2.324 10 0 CEAEHN COC(=O)[C@](C)(CN1CCC[C@@H](C)[C@H]1C)NC(C)C ZINC000050567244 523998811 /nfs/dbraw/zinc/99/88/11/523998811.db2.gz MVYQVJPIWDAMQI-NFAWXSAZSA-N 0 3 270.417 2.037 10 0 CEAEHN COc1ccc(CN[C@@H](CN(C)C)c2ccccc2)cn1 ZINC000158035002 524083547 /nfs/dbraw/zinc/08/35/47/524083547.db2.gz DDGXVBDMFRKTNO-INIZCTEOSA-N 0 3 285.391 2.483 10 0 CEAEHN CNC(=O)[C@H](C)Oc1cc(OC)ccc1CNC(C)(C)C ZINC000062733106 524099742 /nfs/dbraw/zinc/09/97/42/524099742.db2.gz FQPJJIZDEZEQCA-NSHDSACASA-N 0 3 294.395 2.097 10 0 CEAEHN COc1ccc(COCc2cccnc2C(=N)N)cc1 ZINC000061658690 524116628 /nfs/dbraw/zinc/11/66/28/524116628.db2.gz TYALECDXGZBXEM-UHFFFAOYSA-N 0 3 271.320 2.091 10 0 CEAEHN COc1ccc(Cl)cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000062672111 524194777 /nfs/dbraw/zinc/19/47/77/524194777.db2.gz JRVJUFUTEGGXSI-UWVGGRQHSA-N 0 3 282.771 2.171 10 0 CEAEHN Cc1cc(C)c(C(=O)N2[C@H](C)CNC[C@@H]2C)c(C)c1 ZINC000069133032 524229918 /nfs/dbraw/zinc/22/99/18/524229918.db2.gz QJIXGEHFDMZQEP-OKILXGFUSA-N 0 3 260.381 2.434 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)N(C)c2cccc(F)c2)N1 ZINC000050009599 524265263 /nfs/dbraw/zinc/26/52/63/524265263.db2.gz GDEWBUBWPVMAGW-MFKMUULPSA-N 0 3 250.317 2.319 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1cc(N)ccc1Cl ZINC000049149110 524314378 /nfs/dbraw/zinc/31/43/78/524314378.db2.gz FGGAFNQACGRCTF-SNVBAGLBSA-N 0 3 281.787 2.136 10 0 CEAEHN Cc1ccc(CN)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000050430708 524425162 /nfs/dbraw/zinc/42/51/62/524425162.db2.gz DLWAKDOQXMMZOR-UHFFFAOYSA-N 0 3 284.315 2.435 10 0 CEAEHN Cc1cccc(N2CCN(Cc3ccoc3CN)CC2)c1 ZINC000052418938 524559098 /nfs/dbraw/zinc/55/90/98/524559098.db2.gz INTRZKHWMDTVLF-UHFFFAOYSA-N 0 3 285.391 2.369 10 0 CEAEHN C[C@@H](CN1CCCC1)N[C@@H](c1ccco1)c1nccn1C ZINC000049150901 524595266 /nfs/dbraw/zinc/59/52/66/524595266.db2.gz DEDBYCSVBNGOMI-ZFWWWQNUSA-N 0 3 288.395 2.176 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@H+](CC1CC1)C1CC1 ZINC000068648300 524630586 /nfs/dbraw/zinc/63/05/86/524630586.db2.gz ATDIXFBMTICUTL-BDJLRTHQSA-N 0 3 280.412 2.235 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@@H+](CC1CC1)C1CC1 ZINC000068648300 524630591 /nfs/dbraw/zinc/63/05/91/524630591.db2.gz ATDIXFBMTICUTL-BDJLRTHQSA-N 0 3 280.412 2.235 10 0 CEAEHN C[C@H](C[C@](C)(NC1CC1)C(N)=O)Oc1ccc(F)cc1F ZINC000068654787 524656000 /nfs/dbraw/zinc/65/60/00/524656000.db2.gz BSJYHGITVANYAG-PSLIRLAXSA-N 0 3 298.333 2.118 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cccc2cccnc21 ZINC000069133467 524699646 /nfs/dbraw/zinc/69/96/46/524699646.db2.gz FEKAETHQYHERHX-RYUDHWBXSA-N 0 3 269.348 2.057 10 0 CEAEHN COc1ccccc1S(=O)(=O)Cc1cccc(CN)c1 ZINC000068609397 524699606 /nfs/dbraw/zinc/69/96/06/524699606.db2.gz OIIYEJDYCQRMHT-UHFFFAOYSA-N 0 3 291.372 2.128 10 0 CEAEHN C[C@@H](CNC(=O)c1ccc2c[nH]nc2c1)N1CCCCC1 ZINC000061670463 524721541 /nfs/dbraw/zinc/72/15/41/524721541.db2.gz JOAPMPSVPHVLEG-LBPRGKRZSA-N 0 3 286.379 2.167 10 0 CEAEHN C[C@H]1COCCN1Cc1ccoc1CNC(C)(C)C ZINC000052476116 524724484 /nfs/dbraw/zinc/72/44/84/524724484.db2.gz UBGBTOBZAVLNOW-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN Cc1cccc(O[C@H](C)C[C@@](C)(NC(C)C)C(N)=O)c1 ZINC000068656274 524783284 /nfs/dbraw/zinc/78/32/84/524783284.db2.gz KEMNMKAZSNHBRD-CZUORRHYSA-N 0 3 278.396 2.394 10 0 CEAEHN C[C@H]1C[C@H](C)CN(C(=O)c2c[nH]c(=NN)c(Cl)c2)C1 ZINC000051112250 524881646 /nfs/dbraw/zinc/88/16/46/524881646.db2.gz ZWERNCNSMTVQCP-IUCAKERBSA-N 0 3 282.775 2.139 10 0 CEAEHN COc1ccc(OC)c([C@H](O)[C@@H](N)c2ccccc2)c1 ZINC000054681794 524908562 /nfs/dbraw/zinc/90/85/62/524908562.db2.gz JTHMFMOJIWBYNS-HOTGVXAUSA-N 0 3 273.332 2.437 10 0 CEAEHN Cc1cc(F)ccc1NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049630876 524996502 /nfs/dbraw/zinc/99/65/02/524996502.db2.gz BEHFZVLUNAPCDQ-LBPRGKRZSA-N 0 3 286.372 2.018 10 0 CEAEHN C[C@@H]([NH3+])[C@@]([O-])(c1ccc(F)c(F)c1F)C(F)(F)F ZINC000062784774 525015052 /nfs/dbraw/zinc/01/50/52/525015052.db2.gz YESHPFDKCCHYAN-ALFREKQPSA-N 0 3 273.176 2.201 10 0 CEAEHN C[C@@H]([NH3+])[C@]([O-])(c1ccc(F)cc1F)C(F)(F)F ZINC000062784608 525024161 /nfs/dbraw/zinc/02/41/61/525024161.db2.gz LQQWFUMLTZZKFW-ANLVUFKYSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H]1CN(Cc2csc(CNC(C)(C)C)n2)CCO1 ZINC000052382212 525028762 /nfs/dbraw/zinc/02/87/62/525028762.db2.gz MVHLJDDCCMYTJS-LLVKDONJSA-N 0 3 283.441 2.252 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ncc(Cl)n1C ZINC000375791282 525081893 /nfs/dbraw/zinc/08/18/93/525081893.db2.gz LSSAIZUYCQPKML-NEPJUHHUSA-N 0 3 282.819 2.132 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Cc1c(F)cccc1Cl ZINC000069132750 525095877 /nfs/dbraw/zinc/09/58/77/525095877.db2.gz QTTQCFPHALWKJB-NXEZZACHSA-N 0 3 284.762 2.230 10 0 CEAEHN COc1ccc([C@@H](N)c2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000061668797 525193457 /nfs/dbraw/zinc/19/34/57/525193457.db2.gz WMUBZVFMHPYZPK-CQSZACIVSA-N 0 3 287.294 2.052 10 0 CEAEHN Cc1cc(NN)nc(Cc2ccccc2Br)n1 ZINC000055335953 525284404 /nfs/dbraw/zinc/28/44/04/525284404.db2.gz FJSSAIQFKPJPAQ-UHFFFAOYSA-N 0 3 293.168 2.424 10 0 CEAEHN Cc1ccccc1[C@@H](N)CN1C(=O)CC(C)(C)CC1=O ZINC000061828173 525367200 /nfs/dbraw/zinc/36/72/00/525367200.db2.gz ITQALLQWAIFUTQ-ZDUSSCGKSA-N 0 3 274.364 2.170 10 0 CEAEHN C[C@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCCO1 ZINC000183220739 525397603 /nfs/dbraw/zinc/39/76/03/525397603.db2.gz LDNOWHJOADTSGX-NWANDNLSSA-N 0 3 290.363 2.169 10 0 CEAEHN Cc1c(-c2cccc(Cl)c2)[nH]nc1N1CCNCC1 ZINC000062670065 525508976 /nfs/dbraw/zinc/50/89/76/525508976.db2.gz PTSQKYKKWORUOU-UHFFFAOYSA-N 0 3 276.771 2.448 10 0 CEAEHN COc1ccc2cc([C@H](N)[C@@H]3COCCO3)ccc2c1 ZINC000055301236 525641278 /nfs/dbraw/zinc/64/12/78/525641278.db2.gz XKFUZFYEKVQIGX-HOTGVXAUSA-N 0 3 273.332 2.264 10 0 CEAEHN C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)Cc1ccccc1CN ZINC000050564991 525641811 /nfs/dbraw/zinc/64/18/11/525641811.db2.gz XEAFWSYWBSEUFG-QWHCGFSZSA-N 0 3 296.436 2.096 10 0 CEAEHN C[C@H](O)CCCCN1CCN(C2CCCC2)CC1 ZINC000052063096 525708640 /nfs/dbraw/zinc/70/86/40/525708640.db2.gz QJOKPJKYAJFJDB-AWEZNQCLSA-N 0 3 254.418 2.098 10 0 CEAEHN COc1cccc(-c2nccc(CNC3CC3)n2)c1 ZINC000054791982 525729978 /nfs/dbraw/zinc/72/99/78/525729978.db2.gz PSELUPDRWSMOCS-UHFFFAOYSA-N 0 3 255.321 2.404 10 0 CEAEHN C[C@H](O)c1ccc(NC(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000061655762 525856644 /nfs/dbraw/zinc/85/66/44/525856644.db2.gz RJYMUFMWIZPTJF-WFASDCNBSA-N 0 3 291.395 2.298 10 0 CEAEHN C[C@@H](Oc1ccc(Cl)cc1[C@H](C)N)C(=O)N(C)C ZINC000050209144 525924819 /nfs/dbraw/zinc/92/48/19/525924819.db2.gz QKODOIMWDGHSDF-DTWKUNHWSA-N 0 3 270.760 2.215 10 0 CEAEHN Cc1cncc([C@H](C)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000184406631 526219248 /nfs/dbraw/zinc/21/92/48/526219248.db2.gz BGQMEUZJSPBDOB-HOCLYGCPSA-N 0 3 297.406 2.500 10 0 CEAEHN COc1cccc(SCC[C@@H](NC(C)C)C(N)=O)c1 ZINC000062598592 526245886 /nfs/dbraw/zinc/24/58/86/526245886.db2.gz QOKLSSJZQQVETJ-CYBMUJFWSA-N 0 3 282.409 2.029 10 0 CEAEHN Cc1nn(C[C@H]2CCCCO2)c(C)c1CNC1CC1 ZINC000054717440 526286298 /nfs/dbraw/zinc/28/62/98/526286298.db2.gz SIHWSPRDQHGKJT-CQSZACIVSA-N 0 3 263.385 2.321 10 0 CEAEHN Cc1nn(Cc2ccn(-c3ccccc3)n2)c(C)c1CN ZINC000061641322 526298786 /nfs/dbraw/zinc/29/87/86/526298786.db2.gz BZZOMSMEGDAWDO-UHFFFAOYSA-N 0 3 281.363 2.193 10 0 CEAEHN Cc1nn([C@H](CN)c2ccco2)c(C)c1Br ZINC000050589162 526306624 /nfs/dbraw/zinc/30/66/24/526306624.db2.gz QCFXQKQJVQELAZ-SECBINFHSA-N 0 3 284.157 2.404 10 0 CEAEHN O[C@H]1CCN(c2nc3ccccc3cc2CNC2CC2)C1 ZINC000061711211 526312233 /nfs/dbraw/zinc/31/22/33/526312233.db2.gz TYURBWLZUPDVEK-HNNXBMFYSA-N 0 3 283.375 2.058 10 0 CEAEHN Cc1csc(Sc2ccnc(C(=N)N)c2)n1 ZINC000061814701 526399162 /nfs/dbraw/zinc/39/91/62/526399162.db2.gz AERCXDSZJWCXES-UHFFFAOYSA-N 0 3 250.352 2.282 10 0 CEAEHN Cc1oc(Cn2ccc(C(F)(F)F)n2)cc1CN ZINC000052592495 526776175 /nfs/dbraw/zinc/77/61/75/526776175.db2.gz FFGAXWRRJAZFJT-UHFFFAOYSA-N 0 3 259.231 2.310 10 0 CEAEHN N=C(N)c1cc(Sc2ncnc3ccccc32)ccn1 ZINC000061814729 526821627 /nfs/dbraw/zinc/82/16/27/526821627.db2.gz LIJNKXAWLPOUKS-UHFFFAOYSA-N 0 3 281.344 2.460 10 0 CEAEHN Cc1nc(N2CCN(CC3CC3)CC2)sc1[C@@H](C)N ZINC000054898772 526968530 /nfs/dbraw/zinc/96/85/30/526968530.db2.gz XVADGWMWSJWGOW-SNVBAGLBSA-N 0 3 280.441 2.003 10 0 CEAEHN Cc1nc(N2CCO[C@@H]3CCC[C@@H]32)sc1[C@@H](C)N ZINC000054896876 526972264 /nfs/dbraw/zinc/97/22/64/526972264.db2.gz ULGIIRZBUGCERY-DVVUODLYSA-N 0 3 267.398 2.229 10 0 CEAEHN NC(=O)[C@@](COC1CCCCCC1)(NC1CC1)C1CC1 ZINC000069194450 526989962 /nfs/dbraw/zinc/98/99/62/526989962.db2.gz XCPCMLRKNAPPJQ-INIZCTEOSA-N 0 3 280.412 2.112 10 0 CEAEHN O=C1NCCCC[C@H]1N[C@@H](c1cccs1)C1CC1 ZINC000051100088 527063479 /nfs/dbraw/zinc/06/34/79/527063479.db2.gz YWHLUDSOYRCEPK-DGCLKSJQSA-N 0 3 264.394 2.458 10 0 CEAEHN NCc1cc(Cl)ccc1N1CCC[C@H](CO)C1 ZINC000052856914 527249247 /nfs/dbraw/zinc/24/92/47/527249247.db2.gz DSWUYFSWGZXIAN-JTQLQIEISA-N 0 3 254.761 2.007 10 0 CEAEHN NCc1cc(NS(=O)(=O)Cc2ccccc2)ccc1F ZINC000051635142 527250728 /nfs/dbraw/zinc/25/07/28/527250728.db2.gz XARPGJYKJZADBS-UHFFFAOYSA-N 0 3 294.351 2.226 10 0 CEAEHN NCc1ccccc1NC(=O)CC[C@H]1CCCCO1 ZINC000069405586 527261144 /nfs/dbraw/zinc/26/11/44/527261144.db2.gz ZDKHLTZEMRVJEL-CYBMUJFWSA-N 0 3 262.353 2.433 10 0 CEAEHN OC[C@@H](NC[C@H]1CCCO1)c1ccc2ncccc2c1 ZINC000069504748 527581386 /nfs/dbraw/zinc/58/13/86/527581386.db2.gz JOFXRCZPDMSJSX-GDBMZVCRSA-N 0 3 272.348 2.037 10 0 CEAEHN Cn1nccc1[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000069467181 527628628 /nfs/dbraw/zinc/62/86/28/527628628.db2.gz NHMPOWVVURYNNE-LLVKDONJSA-N 0 3 255.243 2.487 10 0 CEAEHN OCc1ccc(CN2CCC(Cn3cccn3)CC2)cc1 ZINC000182757321 527632176 /nfs/dbraw/zinc/63/21/76/527632176.db2.gz OMAVHKCVEKPHMU-UHFFFAOYSA-N 0 3 285.391 2.288 10 0 CEAEHN FC(F)(F)COCCN1CCN[C@@H](c2ccccc2)C1 ZINC000068693546 527669957 /nfs/dbraw/zinc/66/99/57/527669957.db2.gz SAIODUNJUHNEKQ-CYBMUJFWSA-N 0 3 288.313 2.212 10 0 CEAEHN Cc1nn(C)c(N(C)C2CC2)c1CNC(C)(C)C ZINC000062735113 527670387 /nfs/dbraw/zinc/67/03/87/527670387.db2.gz GLIHBCGRZQHGCK-UHFFFAOYSA-N 0 3 250.390 2.215 10 0 CEAEHN Cc1nn(C)c(N2CCCO[C@@H](C)C2)c1CNCC(C)C ZINC000062738344 527676092 /nfs/dbraw/zinc/67/60/92/527676092.db2.gz FDDTTWPIUSPDPQ-ZDUSSCGKSA-N 0 3 294.443 2.089 10 0 CEAEHN Cc1nn(C)c(N2CCOCC2(C)C)c1CNC(C)(C)C ZINC000062737004 527676412 /nfs/dbraw/zinc/67/64/12/527676412.db2.gz SPYJPPATPUITDO-UHFFFAOYSA-N 0 3 294.443 2.232 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2Cc3ccccc3C2)C1 ZINC000106334479 529052733 /nfs/dbraw/zinc/05/27/33/529052733.db2.gz OHQFZBIPMIPQPK-OAHLLOKOSA-N 0 3 273.380 2.196 10 0 CEAEHN CC[C@H]1CN(C(=O)N[C@H]2CCCN(CC)C2)CCS1 ZINC000174235088 529275754 /nfs/dbraw/zinc/27/57/54/529275754.db2.gz WNFKXSGIGMBLKH-STQMWFEESA-N 0 3 285.457 2.008 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ncnc3ccc(N)cc32)CC1 ZINC000081601934 535567477 /nfs/dbraw/zinc/56/74/77/535567477.db2.gz GFNDUNLUGNVVNO-GFCCVEGCSA-N 0 3 285.395 2.133 10 0 CEAEHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000262528006 536554981 /nfs/dbraw/zinc/55/49/81/536554981.db2.gz HICYHLRZFHYAIH-DDTOSNHZSA-N 0 3 282.359 2.001 10 0 CEAEHN C[C@@H](O)[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757136010 574510126 /nfs/dbraw/zinc/51/01/26/574510126.db2.gz XYBHCVUAVYFMHS-GHMZBOCLSA-N 0 3 295.383 2.051 10 0 CEAEHN FC(F)(F)[C@@H]1CCC[C@@]2(C1)NCC1(COC1)CO2 ZINC000757145922 574510386 /nfs/dbraw/zinc/51/03/86/574510386.db2.gz QSFQFOKJMIQIKN-MWLCHTKSSA-N 0 3 265.275 2.072 10 0 CEAEHN CCC1(C)CCN(S(=O)(=O)C[C@H](N)C(C)(C)C)CC1 ZINC000757151992 574510863 /nfs/dbraw/zinc/51/08/63/574510863.db2.gz QLLXHVVBHWQDCX-LBPRGKRZSA-N 0 3 290.473 2.202 10 0 CEAEHN CN(C1CC1)[S@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675073835 574511263 /nfs/dbraw/zinc/51/12/63/574511263.db2.gz BSLVGSSQNQPXAT-GOSISDBHSA-N 0 3 265.382 2.267 10 0 CEAEHN C[C@H](CCO)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757134536 574826405 /nfs/dbraw/zinc/82/64/05/574826405.db2.gz NUXPAPKYBFDIII-LLVKDONJSA-N 0 3 295.383 2.053 10 0 CEAEHN O[C@H](CN[C@H]1COc2ccccc21)CC(F)(F)F ZINC000307951756 623469138 /nfs/dbraw/zinc/46/91/38/623469138.db2.gz VDVHLSSVLAALRI-WPRPVWTQSA-N 0 3 261.243 2.023 10 0 CEAEHN C[C@H]1CN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000891400457 623594872 /nfs/dbraw/zinc/59/48/72/623594872.db2.gz AIGPWGMBOYJGIX-XDQVBPFNSA-N 0 3 298.427 2.399 10 0 CEAEHN CCN1C[C@H](NCc2occc2Br)[C@@H](C)C1 ZINC000309664328 625248214 /nfs/dbraw/zinc/24/82/14/625248214.db2.gz SQRRLFKPXFRWDG-ONGXEEELSA-N 0 3 287.201 2.472 10 0 CEAEHN C[C@@H](NC[C@H]1CNC(=O)O1)c1ccc(Cl)s1 ZINC000309504856 628147298 /nfs/dbraw/zinc/14/72/98/628147298.db2.gz BQZFATQYDPKNTB-RQJHMYQMSA-N 0 3 260.746 2.161 10 0 CEAEHN COc1cc2c(c(Br)c1)O[C@@H](C)[C@@H]2N ZINC000163000126 628826768 /nfs/dbraw/zinc/82/67/68/628826768.db2.gz ZGOPPMBOSDZATQ-CDUCUWFYSA-N 0 3 258.115 2.238 10 0 CEAEHN Cc1cnc([C@@H](C)NC(=O)[C@@H](N)CC2CCCCC2)o1 ZINC000261778503 629190127 /nfs/dbraw/zinc/19/01/27/629190127.db2.gz PHXNXBFQIMWHNB-YPMHNXCESA-N 0 3 279.384 2.458 10 0 CEAEHN CN(C)C[C@H](NC(=O)Cc1cccc(N)c1)c1ccccc1 ZINC000261833306 629264310 /nfs/dbraw/zinc/26/43/10/629264310.db2.gz BMBNKIBRSCOVSH-KRWDZBQOSA-N 0 3 297.402 2.230 10 0 CEAEHN CSCCc1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000261937897 629347200 /nfs/dbraw/zinc/34/72/00/629347200.db2.gz XAKDRZBTCGZZKN-UHFFFAOYSA-N 0 3 294.420 2.039 10 0 CEAEHN CCc1ccc([C@H](C)NC[C@@H]2CCCS2(=O)=O)cc1 ZINC000126970317 651039536 /nfs/dbraw/zinc/03/95/36/651039536.db2.gz VLOWJDVXZZZWED-WFASDCNBSA-N 0 3 281.421 2.477 10 0 CEAEHN Cc1ccc2nc(NC(=O)C3(N)CCOCC3)sc2c1 ZINC000132059136 652492979 /nfs/dbraw/zinc/49/29/79/652492979.db2.gz ZDBVBOIONMHFDM-UHFFFAOYSA-N 0 3 291.376 2.051 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000032216367 361733896 /nfs/dbraw/zinc/73/38/96/361733896.db2.gz MDEWPEDRNRYTBT-CQSZACIVSA-N 0 3 258.321 2.312 10 0 CEAEHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc2ccccc2n1 ZINC000124508763 187140905 /nfs/dbraw/zinc/14/09/05/187140905.db2.gz VIRULNSLHMXRDR-JSGCOSHPSA-N 0 3 283.375 2.321 10 0 CEAEHN CC[C@@H]1CN(CCc2ccc(C)cc2)CCN1C[C@@H](C)O ZINC000124591184 187144561 /nfs/dbraw/zinc/14/45/61/187144561.db2.gz ISFOZWFMGFSKAX-SJLPKXTDSA-N 0 3 290.451 2.315 10 0 CEAEHN NC[C@@H](O[C@@H]1CCOC1)c1ccc(Br)s1 ZINC000082458962 178034091 /nfs/dbraw/zinc/03/40/91/178034091.db2.gz SURHFVZMXMLIRR-HTQZYQBOSA-N 0 3 292.198 2.316 10 0 CEAEHN CN1CCCN(C(=O)c2cccc3c4c([nH]c32)CCC4)CC1 ZINC000032779866 361757312 /nfs/dbraw/zinc/75/73/12/361757312.db2.gz XXFNAUZIEMMRSI-UHFFFAOYSA-N 0 3 297.402 2.434 10 0 CEAEHN CCC[C@H](N)C(=O)NCC[C@@H](OCC)C1CCCC1 ZINC000121717663 365606176 /nfs/dbraw/zinc/60/61/76/365606176.db2.gz PGTLDFGTPNKIGX-UONOGXRCSA-N 0 3 270.417 2.215 10 0 CEAEHN CN1CCOCC12CCN(Cc1ccccc1F)CC2 ZINC000096090036 185095042 /nfs/dbraw/zinc/09/50/42/185095042.db2.gz YXNVYLHXTNIMDK-UHFFFAOYSA-N 0 3 278.371 2.122 10 0 CEAEHN Cn1cnc([C@H](N)Cc2ccc(Br)cc2)c1 ZINC000096978544 185145528 /nfs/dbraw/zinc/14/55/28/185145528.db2.gz BARBTQLWNKITJO-LLVKDONJSA-N 0 3 280.169 2.425 10 0 CEAEHN CCc1cc(C)c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)o1 ZINC000125839827 365689211 /nfs/dbraw/zinc/68/92/11/365689211.db2.gz JPMWJEJNJPHWPC-STQMWFEESA-N 0 3 276.380 2.459 10 0 CEAEHN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000262528005 536666308 /nfs/dbraw/zinc/66/63/08/536666308.db2.gz HICYHLRZFHYAIH-BPNCWPANSA-N 0 3 282.359 2.001 10 0 CEAEHN Cc1c2c(ccc1Br)[C@@]1(C[C@@H]1N)CN2 ZINC000725246946 539192028 /nfs/dbraw/zinc/19/20/28/539192028.db2.gz BJXBOTUXDXXZIH-GXSJLCMTSA-N 0 3 253.143 2.152 10 0 CEAEHN CCOC(=O)C1C(=O)Nc2c1cccc2Br ZINC000725255979 539201803 /nfs/dbraw/zinc/20/18/03/539201803.db2.gz QEFMCFYFGGHNRD-QMMMGPOBSA-N 0 3 284.109 2.048 10 0 CEAEHN C[C@H](NCCN[C@@H](C)c1ccccn1)c1ccccn1 ZINC000019362149 343374612 /nfs/dbraw/zinc/37/46/12/343374612.db2.gz JPAOPUWOGMRBHW-KBPBESRZSA-N 0 3 270.380 2.478 10 0 CEAEHN CN1CCc2ccc(NC(=O)c3cccc(CN)c3)cc2C1 ZINC000113533994 344277567 /nfs/dbraw/zinc/27/75/67/344277567.db2.gz WCSYNOQMLVSKPI-UHFFFAOYSA-N 0 3 295.386 2.386 10 0 CEAEHN CC[C@@H]1c2ccsc2CCN1C(=O)C1(N)CCOCC1 ZINC000132183890 344361868 /nfs/dbraw/zinc/36/18/68/344361868.db2.gz VQADEJYDKHGXFY-GFCCVEGCSA-N 0 3 294.420 2.092 10 0 CEAEHN COc1ccc(N(C)C(=O)[C@]2(C)CCCCN2)cc1 ZINC000133396980 344368597 /nfs/dbraw/zinc/36/85/97/344368597.db2.gz HVCLBCZOWYXZAY-HNNXBMFYSA-N 0 3 262.353 2.190 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(Cl)c(F)c2)C1 ZINC000134438006 344374268 /nfs/dbraw/zinc/37/42/68/344374268.db2.gz CPTFKORJQDONRM-LBPRGKRZSA-N 0 3 286.778 2.289 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccnc3ccccc23)C1 ZINC000134482095 344374928 /nfs/dbraw/zinc/37/49/28/344374928.db2.gz IBCKNUBVQWEFDJ-HNNXBMFYSA-N 0 3 285.391 2.045 10 0 CEAEHN CC(C)(COCCN1CCC(O)CC1)c1ccccc1 ZINC000148081211 344413119 /nfs/dbraw/zinc/41/31/19/344413119.db2.gz DXJCFRYHHMPXKV-UHFFFAOYSA-N 0 3 277.408 2.438 10 0 CEAEHN CN[C@H]1COc2c1cc(OC)cc2Br ZINC000163000698 344469207 /nfs/dbraw/zinc/46/92/07/344469207.db2.gz KQUACKHKVCJEPG-VIFPVBQESA-N 0 3 258.115 2.111 10 0 CEAEHN OC[C@@H]1CCCC[C@@H]1N1CCN(Cc2ccccc2)CC1 ZINC000209067248 344529926 /nfs/dbraw/zinc/52/99/26/344529926.db2.gz OBQSITRWCFTVNZ-ROUUACIJSA-N 0 3 288.435 2.355 10 0 CEAEHN NC1CN(Cc2cc(Br)c(Cl)s2)C1 ZINC000227909387 344557535 /nfs/dbraw/zinc/55/75/35/344557535.db2.gz RJHIVTFICRSTLX-UHFFFAOYSA-N 0 3 281.606 2.307 10 0 CEAEHN CCN(C)C(=O)CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000230066854 344569420 /nfs/dbraw/zinc/56/94/20/344569420.db2.gz YGUBUTIPCOKJMK-VHSXEESVSA-N 0 3 266.307 2.175 10 0 CEAEHN COc1ccc2cc(CN[C@@H]3CCCNC3=O)ccc2c1 ZINC000050393816 362416996 /nfs/dbraw/zinc/41/69/96/362416996.db2.gz VNPUOFMRFDDVHE-MRXNPFEDSA-N 0 3 284.359 2.217 10 0 CEAEHN CCN(C(=O)CN1CCC[C@@H]1CCCO)C1CCCCC1 ZINC000052762263 362474102 /nfs/dbraw/zinc/47/41/02/362474102.db2.gz KNAVBXMISKPPFG-OAHLLOKOSA-N 0 3 296.455 2.405 10 0 CEAEHN OCCC[C@H]1CCCN1CCOc1ccccc1F ZINC000052761933 362474218 /nfs/dbraw/zinc/47/42/18/362474218.db2.gz QVWPULKXXKNAIW-CYBMUJFWSA-N 0 3 267.344 2.441 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC000262590055 344654749 /nfs/dbraw/zinc/65/47/49/344654749.db2.gz ULDDXPGPCLYBBJ-XQHKEYJVSA-N 0 3 270.417 2.070 10 0 CEAEHN CCC[C@@H]1C[C@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000300576549 344700579 /nfs/dbraw/zinc/70/05/79/344700579.db2.gz CFZXVVAYXJTDBO-BYCMXARLSA-N 0 3 258.365 2.178 10 0 CEAEHN C[C@@H]1[C@H](Nc2cnc(N)cn2)CCN1Cc1ccccc1 ZINC000306605914 344715633 /nfs/dbraw/zinc/71/56/33/344715633.db2.gz QMJJPIHEZCIAHI-TZMCWYRMSA-N 0 3 283.379 2.134 10 0 CEAEHN CCOC(=O)[C@H](CC)Oc1ccccc1CNC ZINC000084098564 178788983 /nfs/dbraw/zinc/78/89/83/178788983.db2.gz FLZGCDZHISIDGP-LBPRGKRZSA-N 0 3 251.326 2.127 10 0 CEAEHN CNc1c(N)cnc2ccc(OC(F)(F)F)cc21 ZINC000584882233 344996567 /nfs/dbraw/zinc/99/65/67/344996567.db2.gz VUDRWMGEWLVUIW-UHFFFAOYSA-N 0 3 257.215 2.179 10 0 CEAEHN CN[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000054074967 362510560 /nfs/dbraw/zinc/51/05/60/362510560.db2.gz LGAGFSLPWPJPNN-OLZOCXBDSA-N 0 3 260.381 2.422 10 0 CEAEHN Cc1csc([C@@H]2CN(Cc3cn[nH]c3C)CCO2)n1 ZINC000092790376 232183470 /nfs/dbraw/zinc/18/34/70/232183470.db2.gz DAAGTQMVKFWROP-LBPRGKRZSA-N 0 3 278.381 2.057 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)CC2CCCC2)C1 ZINC000057617707 362589787 /nfs/dbraw/zinc/58/97/87/362589787.db2.gz USMGJDVZZDOWDD-CQSZACIVSA-N 0 3 267.417 2.302 10 0 CEAEHN Cc1cnc([C@@H](N)CCc2ccc3c(c2)CCO3)cn1 ZINC000097197031 185558548 /nfs/dbraw/zinc/55/85/48/185558548.db2.gz DNAOTJOTZFYEOW-AWEZNQCLSA-N 0 3 269.348 2.353 10 0 CEAEHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000057879221 362599592 /nfs/dbraw/zinc/59/95/92/362599592.db2.gz ZFHYFVUEURBNSW-NWDGAFQWSA-N 0 3 291.395 2.305 10 0 CEAEHN COc1ncccc1[C@H](N)[C@H]1CCOC2(CCC2)C1 ZINC000097306016 185582724 /nfs/dbraw/zinc/58/27/24/185582724.db2.gz OHTHMAKIFGFXGL-WCQYABFASA-N 0 3 262.353 2.439 10 0 CEAEHN Cc1cc2c(ncnc2N2C[C@H](C)NC[C@@H]2C)s1 ZINC000086471556 136512685 /nfs/dbraw/zinc/51/26/85/136512685.db2.gz AXPXEVDAWMSRHO-IUCAKERBSA-N 0 3 262.382 2.186 10 0 CEAEHN CC[C@@](C)([C@@H](Cc1cc(C)ccc1OC)NN)N(C)C ZINC000097583181 185630528 /nfs/dbraw/zinc/63/05/28/185630528.db2.gz GSBDVJVGKKRMTI-CVEARBPZSA-N 0 3 279.428 2.108 10 0 CEAEHN CC[C@](C)([C@@H](NN)c1cccc2cnccc21)N(C)C ZINC000097583204 185631495 /nfs/dbraw/zinc/63/14/95/185631495.db2.gz BJMWTGSLQJHEGY-JKSUJKDBSA-N 0 3 272.396 2.470 10 0 CEAEHN CCC(CC)([C@H](NN)c1ccc(OC)cc1OC)N(C)C ZINC000097586701 185632084 /nfs/dbraw/zinc/63/20/84/185632084.db2.gz BKLBALPNROAXIJ-OAHLLOKOSA-N 0 3 295.427 2.329 10 0 CEAEHN COCCSC[C@@](CO)(NC(C)C)c1ccccc1 ZINC000085298009 179009121 /nfs/dbraw/zinc/00/91/21/179009121.db2.gz FNYOHKMXWHFGPZ-OAHLLOKOSA-N 0 3 283.437 2.252 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCc3ccc(F)cc32)C1 ZINC000060558710 362665167 /nfs/dbraw/zinc/66/51/67/362665167.db2.gz UKKJOQZGXGOQJK-CQSZACIVSA-N 0 3 291.370 2.382 10 0 CEAEHN CSC1=NC2(CCNCC2)N=C1c1ccccc1 ZINC000085346555 179028809 /nfs/dbraw/zinc/02/88/09/179028809.db2.gz YZQPVBVYDTVTOX-UHFFFAOYSA-N 0 3 259.378 2.331 10 0 CEAEHN CCn1cc(CN2C[C@H](c3ccccc3)NC[C@@H]2C)cn1 ZINC000085504693 179085000 /nfs/dbraw/zinc/08/50/00/179085000.db2.gz DHMYLFVFQNJLHS-WMLDXEAASA-N 0 3 284.407 2.438 10 0 CEAEHN C[C@@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)N1CCCCC1 ZINC000085674786 179112018 /nfs/dbraw/zinc/11/20/18/179112018.db2.gz NUMXMOFVNXPASS-BARDWOONSA-N 0 3 294.439 2.181 10 0 CEAEHN COc1ncccc1CN[C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085674291 179112072 /nfs/dbraw/zinc/11/20/72/179112072.db2.gz NCLAUMPTKOPJLE-RDBSUJKOSA-N 0 3 276.380 2.383 10 0 CEAEHN CCC[C@@H](N)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000236900930 370649108 /nfs/dbraw/zinc/64/91/08/370649108.db2.gz HNFYJEWUCFKUTO-UONOGXRCSA-N 0 3 268.401 2.064 10 0 CEAEHN CCc1ncsc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000129604185 365877493 /nfs/dbraw/zinc/87/74/93/365877493.db2.gz NVEVSNYYTJPVQP-LLVKDONJSA-N 0 3 283.441 2.412 10 0 CEAEHN COc1nc2sccn2c1CNC[C@H]1CCCC[C@@H]1O ZINC000085973268 179207411 /nfs/dbraw/zinc/20/74/11/179207411.db2.gz CJQGHEJOOHPFDM-PWSUYJOCSA-N 0 3 295.408 2.045 10 0 CEAEHN CCCc1ccc([C@H](NC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020560 179217786 /nfs/dbraw/zinc/21/77/86/179217786.db2.gz VIDCAWFXIZBAIH-CABCVRRESA-N 0 3 281.421 2.334 10 0 CEAEHN CCc1ccc([C@@H](NC)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000086020338 179217970 /nfs/dbraw/zinc/21/79/70/179217970.db2.gz YZHFNFZCKRBEKH-SKDRFNHKSA-N 0 3 273.423 2.006 10 0 CEAEHN CCCN[C@H](c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000086021541 179218616 /nfs/dbraw/zinc/21/86/16/179218616.db2.gz VWLBNJVBYAQPQS-PWSUYJOCSA-N 0 3 273.423 2.224 10 0 CEAEHN CCN[C@@H](c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086021222 179218958 /nfs/dbraw/zinc/21/89/58/179218958.db2.gz QAPJYSRNYVXPEH-WCQYABFASA-N 0 3 287.450 2.450 10 0 CEAEHN CC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(CN)c2)[C@@H]1C ZINC000086091575 179228798 /nfs/dbraw/zinc/22/87/98/179228798.db2.gz OYNPTOYOMCRTSJ-KYOSRNDESA-N 0 3 296.436 2.248 10 0 CEAEHN CCn1cc(N2CCNC[C@@H]2c2ccccc2)cn1 ZINC000086177088 179246521 /nfs/dbraw/zinc/24/65/21/179246521.db2.gz VBSYDDFCYPTLFL-OAHLLOKOSA-N 0 3 256.353 2.054 10 0 CEAEHN Cc1cnc(CN2CCN[C@@](C)(c3ccccc3)C2)cn1 ZINC000086147987 179239582 /nfs/dbraw/zinc/23/95/82/179239582.db2.gz NAAGYFOVQONFCK-QGZVFWFLSA-N 0 3 282.391 2.106 10 0 CEAEHN CO[C@H]1CCC[C@H]1N1CCN[C@H](c2ccccc2)C1 ZINC000086146854 179239777 /nfs/dbraw/zinc/23/97/77/179239777.db2.gz KYVYUFLFMLPJPB-XHSDSOJGSA-N 0 3 260.381 2.200 10 0 CEAEHN CCn1cc(N2C[C@H](c3ccccc3)NC[C@@H]2C)cn1 ZINC000086218498 179249324 /nfs/dbraw/zinc/24/93/24/179249324.db2.gz VGIVASZNDOWMLB-XJKSGUPXSA-N 0 3 270.380 2.442 10 0 CEAEHN C[C@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265144 179261247 /nfs/dbraw/zinc/26/12/47/179261247.db2.gz JHLLOCYGLFVGCH-NUEKZKHPSA-N 0 3 260.381 2.200 10 0 CEAEHN CC(C)N1C(=O)C[C@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317448 179270375 /nfs/dbraw/zinc/27/03/75/179270375.db2.gz CKPKBXQTHCMTHH-BLLLJJGKSA-N 0 3 269.348 2.244 10 0 CEAEHN CCN1C(=O)CC[C@@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317422 179270450 /nfs/dbraw/zinc/27/04/50/179270450.db2.gz AXCRKDGBKBVUJC-MLGOLLRUSA-N 0 3 269.348 2.246 10 0 CEAEHN CC(C)N1CCO[C@@H](CN)[C@@H]1c1ccc2ccccc2n1 ZINC000086317398 179270568 /nfs/dbraw/zinc/27/05/68/179270568.db2.gz PNGPSQHCZIPTGK-IRXDYDNUSA-N 0 3 285.391 2.344 10 0 CEAEHN C[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3N)CCCO1 ZINC000086444001 179294102 /nfs/dbraw/zinc/29/41/02/179294102.db2.gz OEMYSLGRDOUWIQ-ZJUUUORDSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(Cl)cn2C)[C@@H](CC)CN1 ZINC000086446285 179294658 /nfs/dbraw/zinc/29/46/58/179294658.db2.gz SADMROMSQOIANU-NEPJUHHUSA-N 0 3 283.803 2.281 10 0 CEAEHN CN(c1nc2c(s1)CCC[C@H]2O)C1CCN(C)CC1 ZINC000086444368 179294736 /nfs/dbraw/zinc/29/47/36/179294736.db2.gz SBTGBHXZAFKBID-LLVKDONJSA-N 0 3 281.425 2.043 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccn2CC)[C@@H](CC)CN1 ZINC000086447726 179295511 /nfs/dbraw/zinc/29/55/11/179295511.db2.gz WUXLUARSSATBOD-OLZOCXBDSA-N 0 3 263.385 2.111 10 0 CEAEHN CC[C@H]1CN(C(=O)Cc2cccs2)[C@@H](CC)CN1 ZINC000086447607 179295529 /nfs/dbraw/zinc/29/55/29/179295529.db2.gz IHOVQVVJGXKTMC-RYUDHWBXSA-N 0 3 266.410 2.280 10 0 CEAEHN CC[C@@H]1CN(C(=O)[C@H](OC)c2ccccc2)[C@@H](CC)CN1 ZINC000086447434 179295621 /nfs/dbraw/zinc/29/56/21/179295621.db2.gz RIGDGZQQZVPQMP-OWCLPIDISA-N 0 3 290.407 2.363 10 0 CEAEHN COc1cccc([C@@H](C)N[C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674894 179318367 /nfs/dbraw/zinc/31/83/67/179318367.db2.gz UWZXDVXQLNRFPH-UGFHNGPFSA-N 0 3 297.420 2.312 10 0 CEAEHN CCN1CCC[C@@]([NH2+]Cc2cccs2)(C(=O)[O-])CC1 ZINC000086850308 179357563 /nfs/dbraw/zinc/35/75/63/179357563.db2.gz KQDDIXPQTSNUHE-AWEZNQCLSA-N 0 3 282.409 2.167 10 0 CEAEHN COc1ccc([C@]2(O)CCCN(C)CC2)cc1OC ZINC000086834007 179349997 /nfs/dbraw/zinc/34/99/97/179349997.db2.gz ZAGOUBJCEPSYKW-HNNXBMFYSA-N 0 3 265.353 2.007 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](C)CCCC(=O)[O-])CC1 ZINC000086869214 179362646 /nfs/dbraw/zinc/36/26/46/179362646.db2.gz URCYQNRRBKHXTF-CYBMUJFWSA-N 0 3 256.390 2.048 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](C)CCCC(=O)[O-])CC1 ZINC000086869214 179362647 /nfs/dbraw/zinc/36/26/47/179362647.db2.gz URCYQNRRBKHXTF-CYBMUJFWSA-N 0 3 256.390 2.048 10 0 CEAEHN CCOC(=O)[C@]1(NC2CCCC2)CCCN(CC)CC1 ZINC000086850395 179358046 /nfs/dbraw/zinc/35/80/46/179358046.db2.gz CWRZHBZDLTURMA-INIZCTEOSA-N 0 3 282.428 2.326 10 0 CEAEHN CCN1CCC[C@@](NC2CCCCC2)(C(=O)OC)CC1 ZINC000086850421 179358143 /nfs/dbraw/zinc/35/81/43/179358143.db2.gz YVIBSRRBVXYQRM-INIZCTEOSA-N 0 3 282.428 2.326 10 0 CEAEHN CN[C@@H](c1cncc(F)c1)[C@H]1CSCCS1 ZINC000086985061 179374048 /nfs/dbraw/zinc/37/40/48/179374048.db2.gz KRJCJUIYFDNRNS-MNOVXSKESA-N 0 3 258.387 2.330 10 0 CEAEHN COCCN[C@]1(C(N)=O)CCC[C@H](C(C)(C)C)CC1 ZINC000086959935 179368978 /nfs/dbraw/zinc/36/89/78/179368978.db2.gz QMFZXGSSHKTQIX-SWLSCSKDSA-N 0 3 270.417 2.073 10 0 CEAEHN CCS(=O)(=O)CCCOc1ccc(C)cc1[C@H](C)N ZINC000086972888 179371694 /nfs/dbraw/zinc/37/16/94/179371694.db2.gz PPGXUYBWLNZKKN-LBPRGKRZSA-N 0 3 285.409 2.218 10 0 CEAEHN Cc1cc([C@@H](N)CCC(N)=O)sc1Br ZINC000087019500 179381215 /nfs/dbraw/zinc/38/12/15/179381215.db2.gz VNWFGXXZESVVOW-LURJTMIESA-N 0 3 277.187 2.084 10 0 CEAEHN CC[C@@H]1CNC[C@@](C)(Cc2ccc(OC)c(OC)c2)O1 ZINC000087090226 179394230 /nfs/dbraw/zinc/39/42/30/179394230.db2.gz VRRKSFRNKFXELL-CZUORRHYSA-N 0 3 279.380 2.403 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000087090254 179394370 /nfs/dbraw/zinc/39/43/70/179394370.db2.gz NHBVIMIBBPBOFD-BXUZGUMPSA-N 0 3 281.352 2.152 10 0 CEAEHN C[C@H]1CCC[C@@](N)(C(=O)NCC2(O)CCC(C)(C)CC2)C1 ZINC000087068912 179391271 /nfs/dbraw/zinc/39/12/71/179391271.db2.gz NQEWNPRGRKLKAK-GUYCJALGSA-N 0 3 296.455 2.342 10 0 CEAEHN C[C@@H](O)[C@@H](C)Oc1ccc(Br)cc1CN ZINC000087125346 179395969 /nfs/dbraw/zinc/39/59/69/179395969.db2.gz CEUGAWHHDFALBX-HTQZYQBOSA-N 0 3 274.158 2.056 10 0 CEAEHN CCOC(=O)C[C@@H](NC)c1cc(F)c(F)c(F)c1 ZINC000087547632 179443010 /nfs/dbraw/zinc/44/30/10/179443010.db2.gz GGTKBDWURULPGM-SNVBAGLBSA-N 0 3 261.243 2.318 10 0 CEAEHN Nc1cccc([C@@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000616632904 348541540 /nfs/dbraw/zinc/54/15/40/348541540.db2.gz YVAQEWVQVXDHJD-KRWDZBQOSA-N 0 3 267.376 2.415 10 0 CEAEHN CC(C)N1CCOC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616660401 348552160 /nfs/dbraw/zinc/55/21/60/348552160.db2.gz LZCVBEKNKWOKSH-OAHLLOKOSA-N 0 3 271.364 2.454 10 0 CEAEHN CC(=O)Nc1cccc([C@H]2COCCN(C(C)C)C2)c1 ZINC000616658290 348550537 /nfs/dbraw/zinc/55/05/37/348550537.db2.gz CUXXXGITPDWDPU-OAHLLOKOSA-N 0 3 276.380 2.469 10 0 CEAEHN N[C@@H]1CN(C(=O)CC2CC2)CC[C@H]1c1cccc(F)c1 ZINC000616570039 348523435 /nfs/dbraw/zinc/52/34/35/348523435.db2.gz LLKGXOLQWNTFPA-LSDHHAIUSA-N 0 3 276.355 2.269 10 0 CEAEHN CCN1CCCOC[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000616599273 348530591 /nfs/dbraw/zinc/53/05/91/348530591.db2.gz JJNZJPXJTXLEAN-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN c1c[nH]c([C@@H]2COCCN(Cc3ccccc3)C2)n1 ZINC000616658781 348551199 /nfs/dbraw/zinc/55/11/99/348551199.db2.gz FAOWACNPVSHMCP-AWEZNQCLSA-N 0 3 257.337 2.026 10 0 CEAEHN OCCN1CCC(c2nccc3ccccc32)CC1 ZINC000616609391 348533256 /nfs/dbraw/zinc/53/32/56/348533256.db2.gz VCKLVTASXNMRDC-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN Nc1ccn([C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000616617881 348535556 /nfs/dbraw/zinc/53/55/56/348535556.db2.gz DSBJCBZYZBXSPP-CQSZACIVSA-N 0 3 256.353 2.133 10 0 CEAEHN Nc1ncccc1[C@H]1COCCN(Cc2ccccc2)C1 ZINC000616662551 348553966 /nfs/dbraw/zinc/55/39/66/348553966.db2.gz IYTKXFWKSJWLFX-OAHLLOKOSA-N 0 3 283.375 2.280 10 0 CEAEHN OCCc1ccc([C@H]2c3ccccc3CCN2CCO)cc1 ZINC000616679708 348558939 /nfs/dbraw/zinc/55/89/39/348558939.db2.gz ZHCQELHGBXTZQW-IBGZPJMESA-N 0 3 297.398 2.161 10 0 CEAEHN Cn1ccc([C@@H](N)Cc2ccnc3ccccc23)n1 ZINC000088530916 179618455 /nfs/dbraw/zinc/61/84/55/179618455.db2.gz SCFKAJGJSNOCRH-ZDUSSCGKSA-N 0 3 252.321 2.211 10 0 CEAEHN C[C@@H]1C[C@@H](N[C@H]2C=CS(=O)(=O)C2)CC(C)(C)C1 ZINC000088855776 179684115 /nfs/dbraw/zinc/68/41/15/179684115.db2.gz RNJVDWAKAKCPCL-GRYCIOLGSA-N 0 3 257.399 2.102 10 0 CEAEHN CCN(C)C(=O)CCN1CCC[C@@H]1c1ccco1 ZINC000130451560 365958964 /nfs/dbraw/zinc/95/89/64/365958964.db2.gz NRPJNRHXBVJYAH-GFCCVEGCSA-N 0 3 250.342 2.285 10 0 CEAEHN COC(=O)[C@@H](C)CN[C@@H](C)c1ccc(OC)cc1 ZINC000090340268 179967883 /nfs/dbraw/zinc/96/78/83/179967883.db2.gz PDFKKSCRENBNNL-QWRGUYRKSA-N 0 3 251.326 2.155 10 0 CEAEHN CCN[C@@H]1COC[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000090473797 179989861 /nfs/dbraw/zinc/98/98/61/179989861.db2.gz LKXPUBHDNSGPIU-BXKDBHETSA-N 0 3 295.289 2.107 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000623765409 350106512 /nfs/dbraw/zinc/10/65/12/350106512.db2.gz SOTCSLRTAQMUIF-RYUDHWBXSA-N 0 3 276.163 2.233 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1ccc(F)c(C(F)(F)F)c1 ZINC000623767297 350107613 /nfs/dbraw/zinc/10/76/13/350107613.db2.gz TXNISVUSEQWPHE-RYUDHWBXSA-N 0 3 293.260 2.084 10 0 CEAEHN CC(C)n1c2ccc(F)cc2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571725 180008027 /nfs/dbraw/zinc/00/80/27/180008027.db2.gz AJNLVORXSKUDII-ZFWWWQNUSA-N 0 3 277.343 2.372 10 0 CEAEHN C[C@@]1(C(=O)Nc2cccc3ccccc32)COC[C@H]1N ZINC000090580175 180008866 /nfs/dbraw/zinc/00/88/66/180008866.db2.gz ZVTDARXZFUDHBB-GDBMZVCRSA-N 0 3 270.332 2.142 10 0 CEAEHN C[C@@]1(c2nc(C3CCC(C)(C)CC3)no2)COC[C@@H]1N ZINC000090574140 180008883 /nfs/dbraw/zinc/00/88/83/180008883.db2.gz LRDLBOJYFTTWNG-XHDPSFHLSA-N 0 3 279.384 2.369 10 0 CEAEHN C[C@@]1(C(=O)Nc2c(Cl)cccc2Cl)COC[C@@H]1N ZINC000090605894 180011078 /nfs/dbraw/zinc/01/10/78/180011078.db2.gz MAQSWXOEALFRCG-JOYOIKCWSA-N 0 3 289.162 2.296 10 0 CEAEHN CCCNCc1ccc(O[C@@H](C)C(F)(F)F)nn1 ZINC000090675422 180022561 /nfs/dbraw/zinc/02/25/61/180022561.db2.gz CSTKDENEKVBRSU-QMMMGPOBSA-N 0 3 263.263 2.306 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)OC1CCCC1 ZINC000090700199 180027753 /nfs/dbraw/zinc/02/77/53/180027753.db2.gz GNEBGHPFGVXBIC-LBPRGKRZSA-N 0 3 286.441 2.435 10 0 CEAEHN COCCCSc1nc2c(cc1CN)CCC2 ZINC000104443059 186004039 /nfs/dbraw/zinc/00/40/39/186004039.db2.gz KMGZUUWNZPCJMC-UHFFFAOYSA-N 0 3 252.383 2.158 10 0 CEAEHN CCOc1cc(Nc2ccc(OCC)c(CN)c2)ncn1 ZINC000090784806 180039911 /nfs/dbraw/zinc/03/99/11/180039911.db2.gz TUKIXABNBSJJOW-UHFFFAOYSA-N 0 3 288.351 2.476 10 0 CEAEHN COc1ncnc(N[C@H](CC(C)C)CN(C)C)c1C ZINC000090791117 180042625 /nfs/dbraw/zinc/04/26/25/180042625.db2.gz NYQSQGGNNWCXNK-GFCCVEGCSA-N 0 3 266.389 2.182 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@H](C)[S@](C)=O)CC2 ZINC000090841885 180043626 /nfs/dbraw/zinc/04/36/26/180043626.db2.gz VVIVNPLXCDZFSU-FABXCBLPSA-N 0 3 251.395 2.339 10 0 CEAEHN CC[C@H](NC[C@H](C)[S@](C)=O)c1ccc2c(c1)CCO2 ZINC000090841657 180043733 /nfs/dbraw/zinc/04/37/33/180043733.db2.gz FHALJTZVHSJHKV-NXPJVHOHSA-N 0 3 281.421 2.429 10 0 CEAEHN CCNCc1cnc(C)n1C[C@H]1Cc2ccccc2O1 ZINC000090877813 180051606 /nfs/dbraw/zinc/05/16/06/180051606.db2.gz UQDXLWJFHJWBPJ-OAHLLOKOSA-N 0 3 271.364 2.305 10 0 CEAEHN NC(=S)[C@H]1CCCCN1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893194 180055151 /nfs/dbraw/zinc/05/51/51/180055151.db2.gz MRQYNBUYHBSMKA-QWHCGFSZSA-N 0 3 294.395 2.270 10 0 CEAEHN OCC1CCN(C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900919 180059114 /nfs/dbraw/zinc/05/91/14/180059114.db2.gz XYCMDHSPSREQKJ-CQSZACIVSA-N 0 3 281.783 2.348 10 0 CEAEHN NCc1nc(CN[C@H]2C[C@H]2c2ccccc2)cs1 ZINC000090932271 180065873 /nfs/dbraw/zinc/06/58/73/180065873.db2.gz QBNIBDBZUONASP-STQMWFEESA-N 0 3 259.378 2.248 10 0 CEAEHN N[C@H](CNC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000090985441 180080783 /nfs/dbraw/zinc/08/07/83/180080783.db2.gz PNJVJNOIBUDBLP-HZPDHXFCSA-N 0 3 266.344 2.143 10 0 CEAEHN Cc1nnc(C[C@H]2CSCCN2)n1C1CCCCC1 ZINC000091129566 180100878 /nfs/dbraw/zinc/10/08/78/180100878.db2.gz NSNUVDOGIVRYRM-LBPRGKRZSA-N 0 3 280.441 2.339 10 0 CEAEHN CCC1CCC(NC(=O)C[C@H]2CSCCN2)CC1 ZINC000091138590 180105377 /nfs/dbraw/zinc/10/53/77/180105377.db2.gz FOOKKNMPRZQTOA-BPCQOVAHSA-N 0 3 270.442 2.167 10 0 CEAEHN COCCNCc1cnn(-c2ccncc2)c1C(C)C ZINC000091337096 180136530 /nfs/dbraw/zinc/13/65/30/180136530.db2.gz SRNJHZLLACCUNJ-UHFFFAOYSA-N 0 3 274.368 2.127 10 0 CEAEHN COCCNCc1cnn(-c2ccccn2)c1C(C)C ZINC000091335626 180136581 /nfs/dbraw/zinc/13/65/81/180136581.db2.gz YRFFXEXANONKFR-UHFFFAOYSA-N 0 3 274.368 2.127 10 0 CEAEHN COCCNCc1cc(F)ccc1SC[C@@H](C)CO ZINC000091259863 180115806 /nfs/dbraw/zinc/11/58/06/180115806.db2.gz YLMPHRMLWXKWQQ-NSHDSACASA-N 0 3 287.400 2.282 10 0 CEAEHN C[C@@H]1CCC[C@@](CO)(NCc2cncn2C2CC2)C1 ZINC000091275941 180118661 /nfs/dbraw/zinc/11/86/61/180118661.db2.gz RAWQSSCTEQGSIW-IUODEOHRSA-N 0 3 263.385 2.249 10 0 CEAEHN CC(C)CN1C(=O)CCC[C@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275611 180119172 /nfs/dbraw/zinc/11/91/72/180119172.db2.gz XVUKBLCNQYDELI-XJKSGUPXSA-N 0 3 290.411 2.255 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3cncn3C)ccc21 ZINC000091278468 180120901 /nfs/dbraw/zinc/12/09/01/180120901.db2.gz RREHFORVZHMTJG-CQSZACIVSA-N 0 3 273.336 2.042 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1cncn1C ZINC000091278451 180121116 /nfs/dbraw/zinc/12/11/16/180121116.db2.gz ABPUVOONXMGICN-SNVBAGLBSA-N 0 3 263.316 2.419 10 0 CEAEHN Cn1cncc1COc1c(Br)cccc1CN ZINC000091278376 180121348 /nfs/dbraw/zinc/12/13/48/180121348.db2.gz MOAXGPCMLYHVQU-UHFFFAOYSA-N 0 3 296.168 2.220 10 0 CEAEHN CCCn1cncc1-c1ncc2c(n1)CCC[C@H]2NC ZINC000091278093 180121354 /nfs/dbraw/zinc/12/13/54/180121354.db2.gz KOGZXCCENVZLIO-GFCCVEGCSA-N 0 3 271.368 2.347 10 0 CEAEHN Cc1cc([C@@H](C)NC(=O)C[C@@H]2CSCCN2)c(C)o1 ZINC000091290654 180121797 /nfs/dbraw/zinc/12/17/97/180121797.db2.gz XWJXRHGHUBGAED-ZYHUDNBSSA-N 0 3 282.409 2.169 10 0 CEAEHN CCNCc1cncc(N(CC(F)(F)F)C2CC2)n1 ZINC000091419805 180150915 /nfs/dbraw/zinc/15/09/15/180150915.db2.gz IRUVTPPKHUAOIG-UHFFFAOYSA-N 0 3 274.290 2.117 10 0 CEAEHN CC[C@@H](C)N(CCOC)c1cncc(CNC(C)C)n1 ZINC000091420633 180150931 /nfs/dbraw/zinc/15/09/31/180150931.db2.gz KMVIZHNOCNLTLU-CYBMUJFWSA-N 0 3 280.416 2.226 10 0 CEAEHN CC(C)Cc1ccc([C@@H](O)CNC2CC(O)C2)cc1 ZINC000091423888 180151182 /nfs/dbraw/zinc/15/11/82/180151182.db2.gz XNJDITZNDFSONB-GPANFISMSA-N 0 3 263.381 2.031 10 0 CEAEHN CCCNCc1cncc(-n2nc(C)c(CC)c2C)n1 ZINC000091422448 180151280 /nfs/dbraw/zinc/15/12/80/180151280.db2.gz MQPPJZMXNHDDLK-UHFFFAOYSA-N 0 3 273.384 2.341 10 0 CEAEHN Cc1nn(-c2cncc(CNC(C)C)n2)c(C)c1C ZINC000091422440 180151423 /nfs/dbraw/zinc/15/14/23/180151423.db2.gz XUYQRDFUOLQCCV-UHFFFAOYSA-N 0 3 259.357 2.086 10 0 CEAEHN CCCN[C@H](c1nccn1C)[C@@](C)(CC)N(C)C ZINC000091571885 180196691 /nfs/dbraw/zinc/19/66/91/180196691.db2.gz YPJHDJMNIMFYCQ-TZMCWYRMSA-N 0 3 252.406 2.191 10 0 CEAEHN CCN(CC)[C@](C)(CC)[C@H](NC)c1cnccn1 ZINC000091599174 180202570 /nfs/dbraw/zinc/20/25/70/180202570.db2.gz ISSCSNQPDVWGKT-ZIAGYGMSSA-N 0 3 250.390 2.248 10 0 CEAEHN CCN[C@H](c1cncnc1)[C@@](C)(CC)N1CCCC1 ZINC000091607178 180204535 /nfs/dbraw/zinc/20/45/35/180204535.db2.gz ZKCMWSIJXKJIFK-HUUCEWRRSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@@](C)([C@H](NC)c1cnccn1)N1CCCCC1 ZINC000091609665 180205897 /nfs/dbraw/zinc/20/58/97/180205897.db2.gz VHYSBZPQZHTMLT-CABCVRRESA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccc(F)cc1F)N1CCOCC1 ZINC000091611631 180206641 /nfs/dbraw/zinc/20/66/41/180206641.db2.gz HDSHHBWUAWNVOQ-GJZGRUSLSA-N 0 3 284.350 2.466 10 0 CEAEHN CCN[C@@H](c1cnccn1)C(CC)(CC)N(C)C ZINC000091614671 180208254 /nfs/dbraw/zinc/20/82/54/180208254.db2.gz RGEKQOWXNJQLPC-ZDUSSCGKSA-N 0 3 250.390 2.248 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000105048006 186038757 /nfs/dbraw/zinc/03/87/57/186038757.db2.gz XMEDDEMHRXIDPJ-MRVPVSSYSA-N 0 3 287.285 2.272 10 0 CEAEHN N[C@@H](c1cccc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091642983 180213940 /nfs/dbraw/zinc/21/39/40/180213940.db2.gz LLSFIFSTNAQOIE-HNNXBMFYSA-N 0 3 278.371 2.471 10 0 CEAEHN CC[C@H](C)C[C@H](O)C1(N2CCOCC2)CCCC1 ZINC000091642610 180214292 /nfs/dbraw/zinc/21/42/92/180214292.db2.gz VHDYYFCEBUUFMH-KBPBESRZSA-N 0 3 255.402 2.429 10 0 CEAEHN CN[C@@H](c1cncc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091646189 180215724 /nfs/dbraw/zinc/21/57/24/180215724.db2.gz QSYMJXROTZGYFP-HNNXBMFYSA-N 0 3 293.386 2.126 10 0 CEAEHN CCN1CCC[C@@H]1CNc1nc(Cl)ncc1C ZINC000091658220 180218352 /nfs/dbraw/zinc/21/83/52/180218352.db2.gz BOGBNBDJVYEVGS-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN CCN[C@@H](c1cncc2ccccc21)[C@H]1CN(C)CCO1 ZINC000091718900 180233288 /nfs/dbraw/zinc/23/32/88/180233288.db2.gz VYOAUZZVJRMOPO-SJORKVTESA-N 0 3 285.391 2.216 10 0 CEAEHN CCCN[C@@H](c1ccccc1OC)[C@@H]1CN(C)CCO1 ZINC000091718986 180233691 /nfs/dbraw/zinc/23/36/91/180233691.db2.gz RXMZTKJEGSACFW-HOTGVXAUSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](c1ccc(C)cc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720898 180235211 /nfs/dbraw/zinc/23/52/11/180235211.db2.gz HTBQKNMXDDBEED-HYVNUMGLSA-N 0 3 274.408 2.427 10 0 CEAEHN N[C@H](c1ccccc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720245 180235361 /nfs/dbraw/zinc/23/53/61/180235361.db2.gz WZZISRHUJLNSSQ-LERXQTSPSA-N 0 3 266.772 2.203 10 0 CEAEHN N[C@H](c1cncc2ccccc21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720854 180236090 /nfs/dbraw/zinc/23/60/90/180236090.db2.gz WWRJMQIMTCOEMV-XOKHGSTOSA-N 0 3 283.375 2.098 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccc(OC(F)F)cc1 ZINC000624235576 350239257 /nfs/dbraw/zinc/23/92/57/350239257.db2.gz MOKBDUBWTBRKAT-XDTLVQLUSA-N 0 3 287.306 2.088 10 0 CEAEHN CCC[C@@H](C(=O)NCc1cc(F)cc(OC)c1)N(C)C ZINC000091754015 180246306 /nfs/dbraw/zinc/24/63/06/180246306.db2.gz MZYSIXIYNBPXNR-AWEZNQCLSA-N 0 3 282.359 2.181 10 0 CEAEHN CCc1ccc(C(=O)NCc2ccccc2CN)o1 ZINC000091762559 180248594 /nfs/dbraw/zinc/24/85/94/180248594.db2.gz IRZXAVYVVJTXFM-UHFFFAOYSA-N 0 3 258.321 2.231 10 0 CEAEHN C[C@@H](N)c1cccn1CC(=O)Nc1ccccc1F ZINC000091800080 180258719 /nfs/dbraw/zinc/25/87/19/180258719.db2.gz QOBRWDUSNRIULB-SNVBAGLBSA-N 0 3 261.300 2.286 10 0 CEAEHN CCC(C)(C)NC(=O)Cn1cccc1[C@H](C)NC ZINC000091801014 180258759 /nfs/dbraw/zinc/25/87/59/180258759.db2.gz GCZOBFIJHWAXIB-NSHDSACASA-N 0 3 251.374 2.073 10 0 CEAEHN CC(C)NCc1cnc([C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722443 180240984 /nfs/dbraw/zinc/24/09/84/180240984.db2.gz RBHHFVIWYHTFBF-DGCLKSJQSA-N 0 3 281.425 2.177 10 0 CEAEHN C/C(=C\c1ccccc1)CNC[C@H]1CN(C)CCO1 ZINC000105470959 186059366 /nfs/dbraw/zinc/05/93/66/186059366.db2.gz BLSPXSPUVOTRRH-DKGMDFAASA-N 0 3 260.381 2.010 10 0 CEAEHN C[C@@H](C(=O)NC1CCCCC1)N(C)C1CCC(=O)CC1 ZINC000091854085 180273499 /nfs/dbraw/zinc/27/34/99/180273499.db2.gz NBZREIAYLZVFAF-LBPRGKRZSA-N 0 3 280.412 2.267 10 0 CEAEHN CN1CCO[C@H](COc2ccc3ccccc3c2CN)C1 ZINC000092054302 180313689 /nfs/dbraw/zinc/31/36/89/180313689.db2.gz BKRYLVVBFZXANP-AWEZNQCLSA-N 0 3 286.375 2.008 10 0 CEAEHN N[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCCCCC1 ZINC000091971943 180295674 /nfs/dbraw/zinc/29/56/74/180295674.db2.gz DKIWAZUOHXDEKG-LSDHHAIUSA-N 0 3 273.380 2.197 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@H](C)C(=O)N[C@H](C)CC ZINC000091994791 180300875 /nfs/dbraw/zinc/30/08/75/180300875.db2.gz XYTQGEBCMVXICO-DGCLKSJQSA-N 0 3 293.411 2.182 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+][C@@]2(CO)CCC[C@H](C)C2)n1 ZINC000091995321 180301732 /nfs/dbraw/zinc/30/17/32/180301732.db2.gz MDOFFPBSJLNLOH-NHYWBVRUSA-N 0 3 264.369 2.126 10 0 CEAEHN Cc1ccc(OCCC(=O)NC(C)C)c(CNC(C)C)n1 ZINC000091995551 180301844 /nfs/dbraw/zinc/30/18/44/180301844.db2.gz YYKMDEPZXFBJHE-UHFFFAOYSA-N 0 3 293.411 2.182 10 0 CEAEHN CCCNCc1nc(C)ccc1OC[C@H](O)C(F)(F)F ZINC000091995211 180302106 /nfs/dbraw/zinc/30/21/06/180302106.db2.gz HNGDVWHAOQJZRZ-LBPRGKRZSA-N 0 3 292.301 2.192 10 0 CEAEHN C[NH2+]CC[C@@H]1CCCCN1Cc1nc(C)ccc1[O-] ZINC000091996173 180302237 /nfs/dbraw/zinc/30/22/37/180302237.db2.gz KKLJZNKLHYICGB-ZDUSSCGKSA-N 0 3 263.385 2.060 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+][C@@]2(CO)CCC[C@@H](C)C2)n1 ZINC000091995323 180302341 /nfs/dbraw/zinc/30/23/41/180302341.db2.gz MDOFFPBSJLNLOH-ABAIWWIYSA-N 0 3 264.369 2.126 10 0 CEAEHN CCCNCc1nc(C)ccc1OCC(=O)N(C)C(C)C ZINC000091995092 180302493 /nfs/dbraw/zinc/30/24/93/180302493.db2.gz KIIAHNBPBKSUKL-UHFFFAOYSA-N 0 3 293.411 2.135 10 0 CEAEHN CCCN(CCC)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115509 180327198 /nfs/dbraw/zinc/32/71/98/180327198.db2.gz CRPDOUMXVGWEQE-UHFFFAOYSA-N 0 3 288.388 2.095 10 0 CEAEHN CCNCc1cccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092113384 180327390 /nfs/dbraw/zinc/32/73/90/180327390.db2.gz BWSJOBPWBSBXPO-STQMWFEESA-N 0 3 296.436 2.073 10 0 CEAEHN COc1cc(N)ccc1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C)C1 ZINC000092080657 180318664 /nfs/dbraw/zinc/31/86/64/180318664.db2.gz SRULROHKRCJOOG-SRVKXCTJSA-N 0 3 291.395 2.192 10 0 CEAEHN Cc1nn(C[C@@H]2Cc3ccccc3S2)cc1CN ZINC000092271857 180356226 /nfs/dbraw/zinc/35/62/26/180356226.db2.gz AKCXTSWALBZQIP-ZDUSSCGKSA-N 0 3 259.378 2.367 10 0 CEAEHN Cc1c(CN)cnn1C[C@@H]1Cc2ccccc2S1 ZINC000092271854 180356538 /nfs/dbraw/zinc/35/65/38/180356538.db2.gz OHMJPLBJXPLQAV-ZDUSSCGKSA-N 0 3 259.378 2.367 10 0 CEAEHN CCOC(=O)CCCN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105901734 186087721 /nfs/dbraw/zinc/08/77/21/186087721.db2.gz BFJLAFQTWZPOLM-CQSZACIVSA-N 0 3 279.384 2.172 10 0 CEAEHN CC[C@H]1CN(CCOCCC(C)C)CCN1CCOC ZINC000105914431 186089118 /nfs/dbraw/zinc/08/91/18/186089118.db2.gz ITGAJNKWLUDARW-INIZCTEOSA-N 0 3 286.460 2.092 10 0 CEAEHN Cc1noc(C)c1[C@H](C)NC[C@H]1CCCCN1C ZINC000092327798 180363372 /nfs/dbraw/zinc/36/33/72/180363372.db2.gz UXWZEEMVKVOHMT-GXFFZTMASA-N 0 3 251.374 2.426 10 0 CEAEHN CCCN[C@H]1c2cc(OC)ccc2CC[C@H]1S(C)(=O)=O ZINC000092388543 180374640 /nfs/dbraw/zinc/37/46/40/180374640.db2.gz DLKWWYDANKIQAM-CABCVRRESA-N 0 3 297.420 2.095 10 0 CEAEHN CCOC(=O)C[C@]1(NC)CCCc2ccc(OC)cc21 ZINC000092390471 180375533 /nfs/dbraw/zinc/37/55/33/180375533.db2.gz LSLLHVIXKIAXBD-MRXNPFEDSA-N 0 3 277.364 2.399 10 0 CEAEHN COc1ccc([C@@H]2CN[C@@H](C(C)C)CO2)cc1OC ZINC000092403137 180378370 /nfs/dbraw/zinc/37/83/70/180378370.db2.gz QOQVJEFJJQYRLL-DOMZBBRYSA-N 0 3 265.353 2.389 10 0 CEAEHN CNc1ccnc(CN(CCOC)CC(C)C)c1 ZINC000092418376 180381379 /nfs/dbraw/zinc/38/13/79/180381379.db2.gz GIUCEFICZIBRGE-UHFFFAOYSA-N 0 3 251.374 2.228 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](OCCOC(C)C)CC2 ZINC000092386482 180373432 /nfs/dbraw/zinc/37/34/32/180373432.db2.gz DAQSLHUCQYFEGE-CVEARBPZSA-N 0 3 279.380 2.451 10 0 CEAEHN CCCOCCO[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092386822 180374056 /nfs/dbraw/zinc/37/40/56/180374056.db2.gz SEGWJKLDCYGKRA-CVEARBPZSA-N 0 3 279.380 2.453 10 0 CEAEHN Cc1noc(-c2ccccc2NC(=O)CNC(C)(C)C)n1 ZINC000092460648 180389663 /nfs/dbraw/zinc/38/96/63/180389663.db2.gz TWNYLIHZRPBJBA-UHFFFAOYSA-N 0 3 288.351 2.372 10 0 CEAEHN CCN1CC[C@@H](Cn2c3ccncc3[nH]c2=S)C1 ZINC000092514351 180399715 /nfs/dbraw/zinc/39/97/15/180399715.db2.gz XLBQMEKWXXSUBU-SNVBAGLBSA-N 0 3 262.382 2.436 10 0 CEAEHN Cc1ccc([C@H](C)NCC(C)(C)NS(C)(=O)=O)cc1C ZINC000109041143 186241008 /nfs/dbraw/zinc/24/10/08/186241008.db2.gz NVHMSQVLSOFSEB-ZDUSSCGKSA-N 0 3 298.452 2.282 10 0 CEAEHN C[C@@H](N)c1cc(F)ccc1N(C)C[C@H]1CCCO1 ZINC000109568670 186263841 /nfs/dbraw/zinc/26/38/41/186263841.db2.gz WKFHKDYORHRXBB-ZYHUDNBSSA-N 0 3 252.333 2.461 10 0 CEAEHN CNCc1cc(N(C)CCCOC)c2ccccc2n1 ZINC000109589572 186264539 /nfs/dbraw/zinc/26/45/39/186264539.db2.gz BHLUHOROMFBOHN-UHFFFAOYSA-N 0 3 273.380 2.427 10 0 CEAEHN CCc1nc(-c2ccc(OC)cc2)nc(NN)c1C ZINC000110468521 186298348 /nfs/dbraw/zinc/29/83/48/186298348.db2.gz SKSOBVUVWXLCSU-UHFFFAOYSA-N 0 3 258.325 2.309 10 0 CEAEHN NCc1cc(C(F)(F)F)ccc1O[C@H]1CCOC1 ZINC000110524727 186300827 /nfs/dbraw/zinc/30/08/27/186300827.db2.gz DTAOHRDOZNCSOO-JTQLQIEISA-N 0 3 261.243 2.332 10 0 CEAEHN CC(C)(C)NCc1cc(O[C@H]2CCOC2)ccn1 ZINC000110532396 186302094 /nfs/dbraw/zinc/30/20/94/186302094.db2.gz DMFGPZMUPDHXDW-ZDUSSCGKSA-N 0 3 250.342 2.137 10 0 CEAEHN COc1cc2c(cc1F)[nH]c(=S)n2C[C@H](C)N(C)C ZINC000110628939 186306849 /nfs/dbraw/zinc/30/68/49/186306849.db2.gz NPSDKKHHDIFBDH-QMMMGPOBSA-N 0 3 283.372 2.423 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CC(F)(F)F ZINC000110629242 186307340 /nfs/dbraw/zinc/30/73/40/186307340.db2.gz MNXQYYDFAWYIAM-UHFFFAOYSA-N 0 3 263.194 2.329 10 0 CEAEHN CCCOc1cc(N2CCCN(C)CC2)c(N)cc1F ZINC000110635843 186307523 /nfs/dbraw/zinc/30/75/23/186307523.db2.gz JUEMRCFVTBBOAB-UHFFFAOYSA-N 0 3 281.375 2.339 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1OCCC(=O)N(C)C ZINC000110959494 186336272 /nfs/dbraw/zinc/33/62/72/186336272.db2.gz IHDBETZZQFDENF-GFCCVEGCSA-N 0 3 264.369 2.133 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1OCC(=O)NCC(C)C ZINC000110959970 186336836 /nfs/dbraw/zinc/33/68/36/186336836.db2.gz FBWXCKVGACOBFG-ZDUSSCGKSA-N 0 3 278.396 2.426 10 0 CEAEHN CCOCCNCCOc1ccccc1SC ZINC000110985815 186338628 /nfs/dbraw/zinc/33/86/28/186338628.db2.gz XILRFYJEHWFGBG-UHFFFAOYSA-N 0 3 255.383 2.413 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(N)cc2Cl)CCN1C ZINC000110704281 186314189 /nfs/dbraw/zinc/31/41/89/186314189.db2.gz OYVPNXNBMRLLKW-CYBMUJFWSA-N 0 3 267.804 2.448 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2CCN(C)C(C)(C)C2)s1 ZINC000110758808 186320055 /nfs/dbraw/zinc/32/00/55/186320055.db2.gz DMEDAUCWFLHDMY-NSHDSACASA-N 0 3 282.457 2.344 10 0 CEAEHN CC(C)NCc1cnc(N2CCN(C)C(C)(C)C2)s1 ZINC000110758764 186320926 /nfs/dbraw/zinc/32/09/26/186320926.db2.gz UINSBUZQOXAUBZ-UHFFFAOYSA-N 0 3 282.457 2.172 10 0 CEAEHN CCOc1cc(N(C)[C@@H]2CCCN(C)C2)ccc1N ZINC000111055652 186349313 /nfs/dbraw/zinc/34/93/13/186349313.db2.gz HSGREXHYTBMVQR-CYBMUJFWSA-N 0 3 263.385 2.198 10 0 CEAEHN COCCN([C@H](CN)c1cccc(F)c1F)C1CC1 ZINC000111039635 186347020 /nfs/dbraw/zinc/34/70/20/186347020.db2.gz CIKSFADIJPDRSY-CYBMUJFWSA-N 0 3 270.323 2.075 10 0 CEAEHN NCc1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111075746 186350946 /nfs/dbraw/zinc/35/09/46/186350946.db2.gz GSQVXWSPAXPUBR-NJZAAPMLSA-N 0 3 258.365 2.311 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1ccc(C)s1 ZINC000111116625 186353288 /nfs/dbraw/zinc/35/32/88/186353288.db2.gz UFGCADMISKRJKR-GFCCVEGCSA-N 0 3 256.415 2.415 10 0 CEAEHN COC(CNC[C@@H](c1ccccc1)N1CCCC1)OC ZINC000111111797 186354132 /nfs/dbraw/zinc/35/41/32/186354132.db2.gz RWZAKIMSLXSGAA-HNNXBMFYSA-N 0 3 278.396 2.032 10 0 CEAEHN CCNCc1c(N(CC)CCOCC)nc2ccccn21 ZINC000111120855 186354302 /nfs/dbraw/zinc/35/43/02/186354302.db2.gz MIBJNFABMNPRPW-UHFFFAOYSA-N 0 3 290.411 2.307 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1ccc(F)c(F)c1 ZINC000111117683 186354903 /nfs/dbraw/zinc/35/49/03/186354903.db2.gz NPEWGKSVROGVHD-CQSZACIVSA-N 0 3 272.339 2.323 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000111117772 186355166 /nfs/dbraw/zinc/35/51/66/186355166.db2.gz HZRKWFLEUZECPP-ZDUSSCGKSA-N 0 3 290.329 2.462 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1cc(OC)cc(OC)c1 ZINC000111117824 186355391 /nfs/dbraw/zinc/35/53/91/186355391.db2.gz SOKZQCGLJLAIEP-MRXNPFEDSA-N 0 3 296.411 2.062 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000111128204 186356548 /nfs/dbraw/zinc/35/65/48/186356548.db2.gz GKQZFXAFEUOFAO-HNNXBMFYSA-N 0 3 269.348 2.114 10 0 CEAEHN CCc1ccc([C@H](O)[C@H](C)N(C)CCN(C)C)cc1 ZINC000111142673 186359528 /nfs/dbraw/zinc/35/95/28/186359528.db2.gz HBHJIXUJYNVKNJ-XJKSGUPXSA-N 0 3 264.413 2.164 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)C[C@H]2CCCOC2)n1 ZINC000111153699 186360174 /nfs/dbraw/zinc/36/01/74/186360174.db2.gz FKNBCKNBPTZQEI-CYBMUJFWSA-N 0 3 263.385 2.020 10 0 CEAEHN c1ncn(C[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111229139 186372138 /nfs/dbraw/zinc/37/21/38/186372138.db2.gz JGGDKWCSKLOJMD-OAHLLOKOSA-N 0 3 298.390 2.125 10 0 CEAEHN CCN(C(=O)c1ccc(CN)cn1)c1cccc(F)c1 ZINC000111282135 186387984 /nfs/dbraw/zinc/38/79/84/186387984.db2.gz MBQVRXOZBONCSF-UHFFFAOYSA-N 0 3 273.311 2.346 10 0 CEAEHN Cc1ccc(CN(C)C(=O)c2ccc(CN)cn2)cc1 ZINC000111281325 186388807 /nfs/dbraw/zinc/38/88/07/186388807.db2.gz KDRKJJUTCXOYQA-UHFFFAOYSA-N 0 3 269.348 2.121 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc(OC(F)F)cc1 ZINC000111902844 186464497 /nfs/dbraw/zinc/46/44/97/186464497.db2.gz SAVBDVSODWKIKH-AOOOYVTPSA-N 0 3 284.306 2.110 10 0 CEAEHN NC[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000111364936 186405727 /nfs/dbraw/zinc/40/57/27/186405727.db2.gz QPAZPVLKVGTHMD-AWEZNQCLSA-N 0 3 276.286 2.395 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2N)cc1F ZINC000111367524 186406658 /nfs/dbraw/zinc/40/66/58/186406658.db2.gz SAAMYEAAJXFPHI-HZPDHXFCSA-N 0 3 284.334 2.489 10 0 CEAEHN CCCCNC(=O)Nc1ccc(OCC)c(CN)c1 ZINC000111371900 186408246 /nfs/dbraw/zinc/40/82/46/186408246.db2.gz XUMMUDNEFHMJIC-UHFFFAOYSA-N 0 3 265.357 2.466 10 0 CEAEHN CCCOc1ccc(CNC)c(O[C@H]2CCOC2)c1 ZINC000113147434 186555872 /nfs/dbraw/zinc/55/58/72/186555872.db2.gz LZBQYIVBXZEDFY-AWEZNQCLSA-N 0 3 265.353 2.363 10 0 CEAEHN C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000252033137 539816763 /nfs/dbraw/zinc/81/67/63/539816763.db2.gz ZZSRNAAEZFNZQR-KBMXLJTQSA-N 0 3 287.407 2.018 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000121853486 187000624 /nfs/dbraw/zinc/00/06/24/187000624.db2.gz XHAIRCJQPKLOCY-AVGNSLFASA-N 0 3 296.436 2.290 10 0 CEAEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccco3)C2)n1 ZINC000121912807 187004705 /nfs/dbraw/zinc/00/47/05/187004705.db2.gz KFLFQYQZQPFLIZ-CQSZACIVSA-N 0 3 274.368 2.400 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC000122839137 187054640 /nfs/dbraw/zinc/05/46/40/187054640.db2.gz GBCQGJALHPNIDC-OAHLLOKOSA-N 0 3 287.411 2.325 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1nc(C)sc1C ZINC000124193641 187126478 /nfs/dbraw/zinc/12/64/78/187126478.db2.gz YYFWIHGTOAICMS-ZDUSSCGKSA-N 0 3 295.452 2.245 10 0 CEAEHN CCOC(CN1CCC[C@H](n2ccnc2CC)C1)OCC ZINC000124208007 187126870 /nfs/dbraw/zinc/12/68/70/187126870.db2.gz LGUCSZVPHVHEAR-AWEZNQCLSA-N 0 3 295.427 2.482 10 0 CEAEHN COc1ccc([C@@H](C)NC[C@@H](C)N2CCOCC2)cc1F ZINC000123306531 187083470 /nfs/dbraw/zinc/08/34/70/187083470.db2.gz WCDOTLFSJBAHTJ-CHWSQXEVSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@@H](NC[C@H](C)N1CCOCC1)c1ccc(F)cc1F ZINC000123301123 187083637 /nfs/dbraw/zinc/08/36/37/187083637.db2.gz YBZIDMANNOFQOM-NWDGAFQWSA-N 0 3 284.350 2.336 10 0 CEAEHN COc1ccccc1[C@H](C)NC[C@H](C)N1CCOCC1 ZINC000123339973 187085987 /nfs/dbraw/zinc/08/59/87/187085987.db2.gz VFTDWFUKBACKIZ-KBPBESRZSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN(Cc1cccc(Cl)c1)C(=O)C1(N)CCOCC1 ZINC000132177812 187613090 /nfs/dbraw/zinc/61/30/90/187613090.db2.gz XUQVCKISLQARCD-UHFFFAOYSA-N 0 3 296.798 2.196 10 0 CEAEHN N[C@@H](CO)c1cc(C(F)(F)F)cc(Cl)c1F ZINC000072199267 363121276 /nfs/dbraw/zinc/12/12/76/363121276.db2.gz NXZHOVCHQPCDJJ-ZETCQYMHSA-N 0 3 257.614 2.490 10 0 CEAEHN CC[C@H](C)OCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000152482127 188022636 /nfs/dbraw/zinc/02/26/36/188022636.db2.gz ZPUQYFPGGSHWGE-ZFWWWQNUSA-N 0 3 278.396 2.221 10 0 CEAEHN CCC[C@@H](C(=O)N(C)CCOCc1ccccc1)N(C)C ZINC000153897692 188110661 /nfs/dbraw/zinc/11/06/61/188110661.db2.gz YPUUVMVONCHSEV-INIZCTEOSA-N 0 3 292.423 2.392 10 0 CEAEHN CCC[C@H](C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)N(C)C ZINC000154516743 188147476 /nfs/dbraw/zinc/14/74/76/188147476.db2.gz JECRMHBTFHISPL-RRFJBIMHSA-N 0 3 292.427 2.023 10 0 CEAEHN COCc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000155325860 188199441 /nfs/dbraw/zinc/19/94/41/188199441.db2.gz WMYZUSHSIVEAFZ-BBRMVZONSA-N 0 3 290.407 2.292 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cccs2)[C@@H](C)C1 ZINC000155556411 188213690 /nfs/dbraw/zinc/21/36/90/188213690.db2.gz ZAFXEFXFXZNZFM-QWRGUYRKSA-N 0 3 252.383 2.207 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccnc(Cl)c2)C1 ZINC000155594108 188215436 /nfs/dbraw/zinc/21/54/36/188215436.db2.gz IHWNOUOBNOXERG-PWSUYJOCSA-N 0 3 281.787 2.194 10 0 CEAEHN Cc1cccc(C(=O)N(C)C[C@@H]2CCN(C)C2)c1F ZINC000155346638 188200439 /nfs/dbraw/zinc/20/04/39/188200439.db2.gz SMHZVBWJRSHGLT-GFCCVEGCSA-N 0 3 264.344 2.158 10 0 CEAEHN CN(C)C[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 ZINC000156645425 188275043 /nfs/dbraw/zinc/27/50/43/188275043.db2.gz VQNDNECWPBUXAG-CWDCEQMOSA-N 0 3 278.371 2.101 10 0 CEAEHN CC[C@@H]1CN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCS1 ZINC000132132285 366119811 /nfs/dbraw/zinc/11/98/11/366119811.db2.gz JMQKOCHOFGOOTO-BFHYXJOUSA-N 0 3 299.484 2.252 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2cscn2)C1 ZINC000132350470 366137047 /nfs/dbraw/zinc/13/70/47/366137047.db2.gz NSUHYXIZDDHSOV-YPMHNXCESA-N 0 3 296.440 2.013 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccns2)=C[C@@H](N)C1 ZINC000675078496 540118944 /nfs/dbraw/zinc/11/89/44/540118944.db2.gz QDJRPSIXLAXDFC-SNVBAGLBSA-N 0 3 281.381 2.105 10 0 CEAEHN Cc1ncccc1C1=C[C@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675079481 540119529 /nfs/dbraw/zinc/11/95/29/540119529.db2.gz ZLDJGERJHIAYRD-ZDUSSCGKSA-N 0 3 289.379 2.351 10 0 CEAEHN C[C@H]1C[C@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000075509315 363468446 /nfs/dbraw/zinc/46/84/46/363468446.db2.gz YJPXMFOHYYOSON-SWLSCSKDSA-N 0 3 258.365 2.421 10 0 CEAEHN COc1cccc(Cl)c1CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000134154941 366293012 /nfs/dbraw/zinc/29/30/12/366293012.db2.gz SKMUEWANVRYGHF-LLVKDONJSA-N 0 3 296.798 2.054 10 0 CEAEHN COC(=O)c1ccc(CN2CCS[C@@H](C)C2)cc1 ZINC000134342962 366310779 /nfs/dbraw/zinc/31/07/79/366310779.db2.gz IBUMVDZCJHEBSX-NSHDSACASA-N 0 3 265.378 2.411 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2cncc(Br)c2)C1 ZINC000166496609 540304686 /nfs/dbraw/zinc/30/46/86/540304686.db2.gz DXBWHXNHZUVALD-NWDGAFQWSA-N 0 3 285.185 2.237 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1ccncc1 ZINC000079495340 363609477 /nfs/dbraw/zinc/60/94/77/363609477.db2.gz YQPKQECXUNVYFU-OAHLLOKOSA-N 0 3 292.427 2.199 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@H](N2CCC2)CC1 ZINC000685953607 540649042 /nfs/dbraw/zinc/64/90/42/540649042.db2.gz XDDOEKCAARJOSH-LBPRGKRZSA-N 0 3 254.374 2.482 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@H](O)CN2CCCCC2)o1 ZINC000151338410 366639725 /nfs/dbraw/zinc/63/97/25/366639725.db2.gz ASMPRWBLUXYQQQ-KBPBESRZSA-N 0 3 266.385 2.085 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)COc1ccc(F)cc1 ZINC000176994462 189019679 /nfs/dbraw/zinc/01/96/79/189019679.db2.gz IWVNEYWZFATIKH-CQSZACIVSA-N 0 3 294.370 2.147 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1cc(F)ccc1F ZINC000177036576 189022473 /nfs/dbraw/zinc/02/24/73/189022473.db2.gz KFMXVEINXHPYGP-AWEZNQCLSA-N 0 3 296.361 2.450 10 0 CEAEHN CCC[C@@H](C)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000673849750 540700386 /nfs/dbraw/zinc/70/03/86/540700386.db2.gz XLRSIKPPFCSGAT-CHWSQXEVSA-N 0 3 255.406 2.301 10 0 CEAEHN COCc1cccc(CN2CCC[C@H](n3cncn3)C2)c1 ZINC000179214392 189177903 /nfs/dbraw/zinc/17/79/03/189177903.db2.gz WUGLRVSZYBRIIB-INIZCTEOSA-N 0 3 286.379 2.262 10 0 CEAEHN CC[C@H](C)N[C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000179804696 189221528 /nfs/dbraw/zinc/22/15/28/189221528.db2.gz IAIKHMYLWMRGFW-UWVGGRQHSA-N 0 3 278.360 2.330 10 0 CEAEHN CC[C@H](C)[NH2+][C@@H](CC(C)C)c1nc(-c2nc[n-]n2)no1 ZINC000179804696 189221529 /nfs/dbraw/zinc/22/15/29/189221529.db2.gz IAIKHMYLWMRGFW-UWVGGRQHSA-N 0 3 278.360 2.330 10 0 CEAEHN CCOCCN1CCN(Cc2ncccc2C)C[C@H]1CC ZINC000180477476 189257620 /nfs/dbraw/zinc/25/76/20/189257620.db2.gz AEOQPAVIMPPSKM-MRXNPFEDSA-N 0 3 291.439 2.323 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc2ccccc2n1 ZINC000180589289 189263900 /nfs/dbraw/zinc/26/39/00/189263900.db2.gz GVMUKPJZEMVATC-TZMCWYRMSA-N 0 3 293.374 2.492 10 0 CEAEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000180497699 189258668 /nfs/dbraw/zinc/25/86/68/189258668.db2.gz PANBDUUZNVGTJK-MWLCHTKSSA-N 0 3 288.313 2.085 10 0 CEAEHN C[C@H](CCN[C@@H](C)c1cnn(C)c1)NC(=O)OC(C)(C)C ZINC000180515708 189259918 /nfs/dbraw/zinc/25/99/18/189259918.db2.gz RWOQUAGMETZUMJ-NEPJUHHUSA-N 0 3 296.415 2.374 10 0 CEAEHN CCN1CCC[C@H]1CN(Cc1ccncc1)c1ncccn1 ZINC000301593512 201085838 /nfs/dbraw/zinc/08/58/38/201085838.db2.gz YDHXTFCUGXSQLS-INIZCTEOSA-N 0 3 297.406 2.363 10 0 CEAEHN CN1CCC[C@H]1COc1ccc(Br)nc1 ZINC000026509293 361641920 /nfs/dbraw/zinc/64/19/20/361641920.db2.gz SRUATDCXFZEINU-VIFPVBQESA-N 0 3 271.158 2.317 10 0 CEAEHN CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000094139728 364253329 /nfs/dbraw/zinc/25/33/29/364253329.db2.gz CZJLZEXCUXBXAI-JSGCOSHPSA-N 0 3 288.391 2.263 10 0 CEAEHN CCc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000094139728 364253338 /nfs/dbraw/zinc/25/33/38/364253338.db2.gz CZJLZEXCUXBXAI-JSGCOSHPSA-N 0 3 288.391 2.263 10 0 CEAEHN COC(=O)CC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000095076160 364333731 /nfs/dbraw/zinc/33/37/31/364333731.db2.gz XTZMGHKOJFYVIA-AWEZNQCLSA-N 0 3 275.348 2.031 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@H](O)Cn2cccn2)cc1F ZINC000094955564 364314826 /nfs/dbraw/zinc/31/48/26/364314826.db2.gz GCHSUNIVSXHTSN-JSGCOSHPSA-N 0 3 277.343 2.042 10 0 CEAEHN CC(C)(C)CCN1CCO[C@@H](Cn2cccn2)C1 ZINC000112697923 364829426 /nfs/dbraw/zinc/82/94/26/364829426.db2.gz IFVPAUQUSZJGLK-CYBMUJFWSA-N 0 3 251.374 2.020 10 0 CEAEHN COc1cccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000113233736 364877910 /nfs/dbraw/zinc/87/79/10/364877910.db2.gz WPDOYAMNSITUJW-GXTWGEPZSA-N 0 3 274.364 2.004 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114788923 364965132 /nfs/dbraw/zinc/96/51/32/364965132.db2.gz RPVJRAONCCKWJC-KBMXLJTQSA-N 0 3 287.407 2.359 10 0 CEAEHN Cc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1Cl ZINC000116786798 365068216 /nfs/dbraw/zinc/06/82/16/365068216.db2.gz OREJSWVQHISMGZ-ZDUSSCGKSA-N 0 3 296.798 2.051 10 0 CEAEHN Nc1ccnn1C1CCN(Cc2ccccc2)CC1 ZINC000019689182 541449723 /nfs/dbraw/zinc/44/97/23/541449723.db2.gz VKDYNAOILYCQMX-UHFFFAOYSA-N 0 3 256.353 2.302 10 0 CEAEHN CCc1ccc(CN2CCO[C@H](CN(C)C)C2)cc1 ZINC000117340113 365103387 /nfs/dbraw/zinc/10/33/87/365103387.db2.gz QPNNUKBRRKUBEK-MRXNPFEDSA-N 0 3 262.397 2.011 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000118985458 365196051 /nfs/dbraw/zinc/19/60/51/365196051.db2.gz NOLHRMLVDFLBDK-HNNXBMFYSA-N 0 3 299.378 2.040 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000119345762 365257885 /nfs/dbraw/zinc/25/78/85/365257885.db2.gz QNPZJXRFTVEGSH-SECBINFHSA-N 0 3 287.285 2.272 10 0 CEAEHN CC[C@@H](C)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000120438811 365424217 /nfs/dbraw/zinc/42/42/17/365424217.db2.gz AZPYGNZOUOPRTB-NVXWUHKLSA-N 0 3 276.424 2.384 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2nc(C(C)(C)C)cs2)CCO1 ZINC000120610036 365449558 /nfs/dbraw/zinc/44/95/58/365449558.db2.gz DTRCNIDENJGVNO-LBPRGKRZSA-N 0 3 297.468 2.203 10 0 CEAEHN COCCCCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000120850730 365483884 /nfs/dbraw/zinc/48/38/84/365483884.db2.gz RDHSCBSHKVZKRH-HNNXBMFYSA-N 0 3 278.396 2.222 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccccn1 ZINC000245428283 370818261 /nfs/dbraw/zinc/81/82/61/370818261.db2.gz WZYOXKBGYOYCMM-KGLIPLIRSA-N 0 3 290.411 2.268 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)c1ccc(C)o1)N(C)C ZINC000161570196 367098172 /nfs/dbraw/zinc/09/81/72/367098172.db2.gz GWXWGLMMPTXRAQ-NEPJUHHUSA-N 0 3 252.358 2.496 10 0 CEAEHN CCC[C@H](C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C)N(C)C ZINC000162378754 367155836 /nfs/dbraw/zinc/15/58/36/367155836.db2.gz SDMQRKBHZSBHJA-TYNCELHUSA-N 0 3 270.417 2.037 10 0 CEAEHN C[C@@H](O)[C@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000162784678 367191174 /nfs/dbraw/zinc/19/11/74/367191174.db2.gz QQVVPFNQXDIGMJ-OCCSQVGLSA-N 0 3 256.349 2.438 10 0 CEAEHN COCc1cccc(NC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000171075778 367471438 /nfs/dbraw/zinc/47/14/38/367471438.db2.gz RHLBCDORTGJIJD-AWEZNQCLSA-N 0 3 277.368 2.001 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cnc(C(C)(C)C)s2)C1 ZINC000170855372 367430731 /nfs/dbraw/zinc/43/07/31/367430731.db2.gz KSRFPOWTOKGAIO-JTQLQIEISA-N 0 3 281.425 2.217 10 0 CEAEHN Cc1cc(OCC(=O)N2CC[C@@H](N(C)C)C2)ccc1Cl ZINC000170862800 367433898 /nfs/dbraw/zinc/43/38/98/367433898.db2.gz RHWYTTPQKNJWEV-GFCCVEGCSA-N 0 3 296.798 2.190 10 0 CEAEHN CCCCOC(=O)CCN1CCC[C@@H]1c1cnn(C)c1 ZINC000171504671 367558353 /nfs/dbraw/zinc/55/83/53/367558353.db2.gz SLWBKCRVYFXPIJ-CQSZACIVSA-N 0 3 279.384 2.290 10 0 CEAEHN O=C(c1coc2ccccc12)N1CCN2CCC[C@H]2C1 ZINC000172020193 367660877 /nfs/dbraw/zinc/66/08/77/367660877.db2.gz HHPHEQMEEBZBOT-LBPRGKRZSA-N 0 3 270.332 2.353 10 0 CEAEHN O[C@@]12CCCC[C@H]1CN(Cc1cnn3ccccc13)CC2 ZINC000245717833 370863035 /nfs/dbraw/zinc/86/30/35/370863035.db2.gz HHONUDSKDSPXJG-DOTOQJQBSA-N 0 3 285.391 2.461 10 0 CEAEHN Cc1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c(C)c1 ZINC000245744381 370867774 /nfs/dbraw/zinc/86/77/74/370867774.db2.gz MMLCDDJZXSFSOC-HOTGVXAUSA-N 0 3 276.424 2.190 10 0 CEAEHN CS[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000172542506 367773175 /nfs/dbraw/zinc/77/31/75/367773175.db2.gz BDDDVMMVHSWZGW-CABCVRRESA-N 0 3 290.432 2.397 10 0 CEAEHN C[C@@H](O)CN1CCN(CC2CCC(C)CC2)C[C@@H]1C ZINC000245784844 370874144 /nfs/dbraw/zinc/87/41/44/370874144.db2.gz UYCCRWXPTHQYOP-PWUWZPNHSA-N 0 3 268.445 2.200 10 0 CEAEHN Cc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1C ZINC000245807195 370876183 /nfs/dbraw/zinc/87/61/83/370876183.db2.gz YURQGBQQXWWCIV-JKSUJKDBSA-N 0 3 276.424 2.190 10 0 CEAEHN Cc1ccc([C@@H]2CCCCN2CCCC(=O)NC(N)=O)o1 ZINC000172868827 367832479 /nfs/dbraw/zinc/83/24/79/367832479.db2.gz AEFVJWXTNLRVTN-LBPRGKRZSA-N 0 3 293.367 2.090 10 0 CEAEHN Cc1cccc(C)c1NCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000173574989 367924320 /nfs/dbraw/zinc/92/43/20/367924320.db2.gz XGPZHLMRFCOXOU-OAHLLOKOSA-N 0 3 287.407 2.022 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(CCC(=O)OC(C)C)C1 ZINC000173698344 367935922 /nfs/dbraw/zinc/93/59/22/367935922.db2.gz OKUTUWKQJFUDCK-AWEZNQCLSA-N 0 3 293.411 2.424 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnc(C)s1 ZINC000175012926 368089757 /nfs/dbraw/zinc/08/97/57/368089757.db2.gz TUJYZDZBUOAZPD-VXGBXAGGSA-N 0 3 279.409 2.150 10 0 CEAEHN CNC(=O)[C@H](C)CN(C)Cc1ccc2ccccc2n1 ZINC000176384061 368232668 /nfs/dbraw/zinc/23/26/68/368232668.db2.gz NRVSCPTUCCEHQW-GFCCVEGCSA-N 0 3 271.364 2.049 10 0 CEAEHN CCC[C@H](C)CN1CCO[C@H](Cn2cccn2)C1 ZINC000180128457 368368100 /nfs/dbraw/zinc/36/81/00/368368100.db2.gz GLYLZJMUAKLTIA-KBPBESRZSA-N 0 3 251.374 2.020 10 0 CEAEHN C[C@@H](c1nc2ccccc2o1)N1CCO[C@H](CN(C)C)C1 ZINC000181102167 368421430 /nfs/dbraw/zinc/42/14/30/368421430.db2.gz KOBJSHBKAUKSMY-QWHCGFSZSA-N 0 3 289.379 2.151 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1cncc(C)c1)CC2 ZINC000184401396 368691921 /nfs/dbraw/zinc/69/19/21/368691921.db2.gz JBXUHXLCQLAUBK-OCCSQVGLSA-N 0 3 285.395 2.210 10 0 CEAEHN CC(=O)c1c(F)cccc1N1CCN2CCC[C@H]2C1 ZINC000246049649 370903744 /nfs/dbraw/zinc/90/37/44/370903744.db2.gz CMRBXJGBQYHYGP-LBPRGKRZSA-N 0 3 262.328 2.313 10 0 CEAEHN Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H](C)O2)N(C)C)cc1 ZINC000246113460 370910227 /nfs/dbraw/zinc/91/02/27/370910227.db2.gz XSCMRNUWKDWZEL-KBMXLJTQSA-N 0 3 290.407 2.281 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@H]2CSc3ccccc32)C1 ZINC000246261832 370937329 /nfs/dbraw/zinc/93/73/29/370937329.db2.gz ABNNFIPAAHSDHC-OCCSQVGLSA-N 0 3 290.432 2.476 10 0 CEAEHN C[C@H](O)CN1CCN(CCCC2CCCC2)C[C@H]1C ZINC000246306493 370943421 /nfs/dbraw/zinc/94/34/21/370943421.db2.gz VUUIZSBLSJRCNL-CABCVRRESA-N 0 3 268.445 2.344 10 0 CEAEHN CCc1cccc(CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000188686943 369395485 /nfs/dbraw/zinc/39/54/85/369395485.db2.gz VXXNPJSXZLLFQC-OAHLLOKOSA-N 0 3 260.381 2.302 10 0 CEAEHN Cc1ccn(C)c1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000188936354 369431891 /nfs/dbraw/zinc/43/18/91/369431891.db2.gz DZQPJKLUWNTJJT-OAHLLOKOSA-N 0 3 285.391 2.366 10 0 CEAEHN CCC[C@H](C(=O)NCc1cc(F)ccc1OC)N(C)C ZINC000188681422 369393607 /nfs/dbraw/zinc/39/36/07/369393607.db2.gz NFPKTJXEGWWQGG-CYBMUJFWSA-N 0 3 282.359 2.181 10 0 CEAEHN CCN(C(=O)N[C@H]1CN(C(C)C)C[C@H]1C)C(C)C ZINC000246549938 370976457 /nfs/dbraw/zinc/97/64/57/370976457.db2.gz VXTQMFLDVCVPHO-OLZOCXBDSA-N 0 3 255.406 2.155 10 0 CEAEHN COCCCN(C)CCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246617028 370985046 /nfs/dbraw/zinc/98/50/46/370985046.db2.gz GXPDOOUTVOQHAQ-JKSUJKDBSA-N 0 3 296.455 2.287 10 0 CEAEHN Cc1cncc(CN(C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000189871483 369573467 /nfs/dbraw/zinc/57/34/67/369573467.db2.gz VWIMQYSVOHLRHK-INIZCTEOSA-N 0 3 297.406 2.281 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCC(C)(C)C(C)C)C1 ZINC000189965883 369582562 /nfs/dbraw/zinc/58/25/62/369582562.db2.gz YFFILCIUAJFHJV-CYBMUJFWSA-N 0 3 269.433 2.452 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccnc(F)c1F ZINC000193575845 369957690 /nfs/dbraw/zinc/95/76/90/369957690.db2.gz YUSKAGNRWUJDAT-GHMZBOCLSA-N 0 3 295.333 2.059 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1ccc(F)cc1 ZINC000193248017 369910974 /nfs/dbraw/zinc/91/09/74/369910974.db2.gz CUMIJHVRPBNORS-OAHLLOKOSA-N 0 3 269.360 2.435 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2cc(Cl)cs2)CCO1 ZINC000194295505 370022743 /nfs/dbraw/zinc/02/27/43/370022743.db2.gz PVLAJDNKCAUEAJ-LLVKDONJSA-N 0 3 274.817 2.164 10 0 CEAEHN COc1cc(C)nc(CN[C@@H](C)[C@H]2CCCO2)c1 ZINC000214088782 370169833 /nfs/dbraw/zinc/16/98/33/370169833.db2.gz UWYYEXGJWGNVEZ-SMDDNHRTSA-N 0 3 250.342 2.056 10 0 CEAEHN C[C@H]1CN(C[C@@H](O)COCc2ccccc2)CCS1 ZINC000221543968 370241889 /nfs/dbraw/zinc/24/18/89/370241889.db2.gz UKLGZCSZOISRGZ-DZGCQCFKSA-N 0 3 281.421 2.001 10 0 CEAEHN CN1CCO[C@@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000227558749 370373682 /nfs/dbraw/zinc/37/36/82/370373682.db2.gz PJRFBFWLIYTPHJ-HOTGVXAUSA-N 0 3 278.371 2.197 10 0 CEAEHN CN(C(=O)C1CCC=CCC1)[C@H](CN)C(F)(F)F ZINC000638435695 370528132 /nfs/dbraw/zinc/52/81/32/370528132.db2.gz WGJUCQLRXKWGRV-SNVBAGLBSA-N 0 3 264.291 2.081 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1NC(C)=O ZINC000236782605 370625333 /nfs/dbraw/zinc/62/53/33/370625333.db2.gz WBNBSWGQDALWQA-SNVBAGLBSA-N 0 3 283.759 2.364 10 0 CEAEHN COCCN1CCN(C[C@H](C)c2ccccc2)C[C@@H]1C ZINC000247205246 371076488 /nfs/dbraw/zinc/07/64/88/371076488.db2.gz UGSCQIMDCGIJBB-HOTGVXAUSA-N 0 3 276.424 2.443 10 0 CEAEHN CO[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C)c1ccccc1 ZINC000247341469 371096257 /nfs/dbraw/zinc/09/62/57/371096257.db2.gz NNRIBOSPVAVXJM-BMFZPTHFSA-N 0 3 290.407 2.219 10 0 CEAEHN C[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1cccs1 ZINC000247650780 371131850 /nfs/dbraw/zinc/13/18/50/371131850.db2.gz WRPWMCZQIBTLSI-NEPJUHHUSA-N 0 3 279.409 2.299 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2ccc(Cl)cc2)C[C@H]1C ZINC000247774204 371141286 /nfs/dbraw/zinc/14/12/86/371141286.db2.gz QDJBDZZWLLFQBJ-OLZOCXBDSA-N 0 3 282.815 2.227 10 0 CEAEHN C[C@@H]1CCCC[C@H]1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247376868 371100451 /nfs/dbraw/zinc/10/04/51/371100451.db2.gz FWNSEZFAYKHNIW-HZSPNIEDSA-N 0 3 265.401 2.055 10 0 CEAEHN COc1ccsc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000247457435 371111120 /nfs/dbraw/zinc/11/11/20/371111120.db2.gz QMCZRPJYNUEBPQ-QWRGUYRKSA-N 0 3 280.393 2.065 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)COCc2ccccc2)C1 ZINC000247469152 371111799 /nfs/dbraw/zinc/11/17/99/371111799.db2.gz VCDMFJBAOGZXMZ-GDBMZVCRSA-N 0 3 290.407 2.048 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(C)cc2)CCN1C[C@H](C)O ZINC000247543596 371124520 /nfs/dbraw/zinc/12/45/20/371124520.db2.gz DFTFMLSVZMXXBJ-RDJZCZTQSA-N 0 3 276.424 2.272 10 0 CEAEHN Cc1cc(F)ccc1CN1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000248029497 371155547 /nfs/dbraw/zinc/15/55/47/371155547.db2.gz KTPWPEQSYMHQNB-HZPDHXFCSA-N 0 3 278.371 2.039 10 0 CEAEHN CCOC(=O)[C@H](CC(C)C)N1CCN2CCCC[C@H]2C1 ZINC000248417048 371190147 /nfs/dbraw/zinc/19/01/47/371190147.db2.gz JGHDCXYOVHXSIC-GJZGRUSLSA-N 0 3 282.428 2.134 10 0 CEAEHN C[C@H](O)CN1CCN([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC000248343242 371177269 /nfs/dbraw/zinc/17/72/69/371177269.db2.gz KAZZPOBBZYJRSV-IGCXYCKISA-N 0 3 292.398 2.200 10 0 CEAEHN c1ccc(-c2nc(CN3CCN4CCCC[C@H]4C3)no2)cc1 ZINC000248371125 371181455 /nfs/dbraw/zinc/18/14/55/371181455.db2.gz YHSHRXTXYJJZKK-HNNXBMFYSA-N 0 3 298.390 2.407 10 0 CEAEHN C[C@H]1C[C@H](C(=O)N2CC[C@@H](N(C)C)C2)C[C@@H](C)C1 ZINC000248528347 371205749 /nfs/dbraw/zinc/20/57/49/371205749.db2.gz DJMIRZIMQFSBAV-ZOBORPQBSA-N 0 3 252.402 2.221 10 0 CEAEHN C[C@H]1CN(C[C@@H](O)CCc2ccccc2)CCS1 ZINC000248560774 371212652 /nfs/dbraw/zinc/21/26/52/371212652.db2.gz JJZAVRPJOUZAJF-ZFWWWQNUSA-N 0 3 265.422 2.417 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)c1cnccn1 ZINC000248598349 371219533 /nfs/dbraw/zinc/21/95/33/371219533.db2.gz BEMPWMNGZFHLPV-OCCSQVGLSA-N 0 3 271.368 2.207 10 0 CEAEHN C[C@@H]1CN(CCc2ccccc2F)C[C@H]1N1CCOCC1 ZINC000248726352 371239414 /nfs/dbraw/zinc/23/94/14/371239414.db2.gz NDRYKEWPFLCIAN-RHSMWYFYSA-N 0 3 292.398 2.021 10 0 CEAEHN C[C@H](CCN1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000249037052 371285393 /nfs/dbraw/zinc/28/53/93/371285393.db2.gz SWQRLIDPJOOYQO-WBVHZDCISA-N 0 3 276.424 2.443 10 0 CEAEHN CC[C@@](C)(O)CN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000249347199 371314861 /nfs/dbraw/zinc/31/48/61/371314861.db2.gz JWVJLBLZMAETFA-DOTOQJQBSA-N 0 3 290.407 2.275 10 0 CEAEHN Brc1csc(N2CCN3CCC[C@H]3C2)n1 ZINC000250779645 371390792 /nfs/dbraw/zinc/39/07/92/371390792.db2.gz QXZFABQXRKSQSL-QMMMGPOBSA-N 0 3 288.214 2.190 10 0 CEAEHN CO[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)c1ccc(F)cc1 ZINC000237071472 189862272 /nfs/dbraw/zinc/86/22/72/189862272.db2.gz AWABLWHICRIMMG-QWHCGFSZSA-N 0 3 282.359 2.003 10 0 CEAEHN C[C@H](CCCO)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000253562395 371528000 /nfs/dbraw/zinc/52/80/00/371528000.db2.gz DFIAPDWOPQOICF-GFCCVEGCSA-N 0 3 286.416 2.137 10 0 CEAEHN CCC1CCC(CNC(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261903165 371766966 /nfs/dbraw/zinc/76/69/66/371766966.db2.gz WTWWRJZCPPNFQR-PIMMBPRGSA-N 0 3 282.428 2.073 10 0 CEAEHN COC[C@]1(C(=O)Nc2cc(C)ccc2C)CCCN1 ZINC000643613862 373220549 /nfs/dbraw/zinc/22/05/49/373220549.db2.gz DVMTZWDYZCBFFM-HNNXBMFYSA-N 0 3 262.353 2.011 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(F)c(Cl)c2)CCCN1 ZINC000643615003 373221434 /nfs/dbraw/zinc/22/14/34/373221434.db2.gz AIHDTCHISYVQDN-ZDUSSCGKSA-N 0 3 286.734 2.186 10 0 CEAEHN C[C@H](NC(=O)[C@@H]1NCC1(C)C)c1cc(F)ccc1F ZINC000644017621 373342994 /nfs/dbraw/zinc/34/29/94/373342994.db2.gz ASLZTIIINRIPFB-UFBFGSQYSA-N 0 3 268.307 2.140 10 0 CEAEHN Clc1ccccc1Cc1noc([C@H]2CNCCOC2)n1 ZINC000644511199 373503257 /nfs/dbraw/zinc/50/32/57/373503257.db2.gz FXYBYPRWKNMHNE-NSHDSACASA-N 0 3 293.754 2.017 10 0 CEAEHN CCN(CCC(F)(F)F)C(=O)[C@@]1(C)CCCCN1 ZINC000645815003 374203645 /nfs/dbraw/zinc/20/36/45/374203645.db2.gz WVYZCGJHWBZOPX-LLVKDONJSA-N 0 3 266.307 2.320 10 0 CEAEHN CCN1CCC[C@H](NCc2ccc(OC)cc2F)C1 ZINC000404961824 375379618 /nfs/dbraw/zinc/37/96/18/375379618.db2.gz VTKMYXWABFHAHU-ZDUSSCGKSA-N 0 3 266.360 2.408 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CCCc2sccc21 ZINC000282320278 375455790 /nfs/dbraw/zinc/45/57/90/375455790.db2.gz NNYOPAPYJYCLNH-DLOVCJGASA-N 0 3 264.394 2.382 10 0 CEAEHN Cc1n[nH]c(C)c1CNC[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000282935243 375615944 /nfs/dbraw/zinc/61/59/44/375615944.db2.gz WVYCCRLLLCWPTR-SNVBAGLBSA-N 0 3 296.415 2.372 10 0 CEAEHN C[C@H](CN[C@H](C)c1ccnn1C)N(C)C(=O)OC(C)(C)C ZINC000283167287 375667683 /nfs/dbraw/zinc/66/76/83/375667683.db2.gz IYTSCCUBOFAMHF-VXGBXAGGSA-N 0 3 296.415 2.326 10 0 CEAEHN Cc1ncc(Br)c(C2(N)CCCC2)n1 ZINC000306213222 376544389 /nfs/dbraw/zinc/54/43/89/376544389.db2.gz LMEVSMHEDGIOKD-UHFFFAOYSA-N 0 3 256.147 2.276 10 0 CEAEHN C[C@H]1OCC[C@H]1NCc1ccnc(Br)c1 ZINC000293637423 377670000 /nfs/dbraw/zinc/67/00/00/377670000.db2.gz RMCRXSGZZKCWEQ-PSASIEDQSA-N 0 3 271.158 2.111 10 0 CEAEHN Cc1cc([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)cs1 ZINC000296396185 378516301 /nfs/dbraw/zinc/51/63/01/378516301.db2.gz KEBBUECVTBEMRQ-UMNHJUIQSA-N 0 3 252.383 2.374 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1ncc(C)o1 ZINC000300404218 379163084 /nfs/dbraw/zinc/16/30/84/379163084.db2.gz HSADSDHVRINEGB-KGLIPLIRSA-N 0 3 263.385 2.432 10 0 CEAEHN C[C@H](N[C@H]1CCC[C@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000037165231 542278562 /nfs/dbraw/zinc/27/85/62/542278562.db2.gz FERLNJOKDBAGOM-UBHSHLNASA-N 0 3 297.420 2.044 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C\c2ncccc2C)C1 ZINC000493356723 380943300 /nfs/dbraw/zinc/94/33/00/380943300.db2.gz RLCABZVXAFBYCP-CKXPSTMWSA-N 0 3 273.380 2.004 10 0 CEAEHN c1cn(C[C@@H]2CCCN2Cc2cccc3c2OCO3)cn1 ZINC000188415000 542322570 /nfs/dbraw/zinc/32/25/70/542322570.db2.gz DMWXHUZQYNFQRX-AWEZNQCLSA-N 0 3 285.347 2.276 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CCC[C@H](O)C2)c1C ZINC000045171281 542340996 /nfs/dbraw/zinc/34/09/96/542340996.db2.gz JMIWELCQXZFJIK-GDLCADMTSA-N 0 3 265.401 2.474 10 0 CEAEHN CNCc1sc(S(=O)(=O)N(C)CC(C)C)cc1C ZINC000088948360 184615266 /nfs/dbraw/zinc/61/52/66/184615266.db2.gz IFTNKLXHAJSOAM-UHFFFAOYSA-N 0 3 290.454 2.052 10 0 CEAEHN CCOC(OCC)[C@H](N)Cc1ccc(F)cc1F ZINC000093306589 184662090 /nfs/dbraw/zinc/66/20/90/184662090.db2.gz ROXOSACHDVVCEJ-GFCCVEGCSA-N 0 3 259.296 2.234 10 0 CEAEHN CCc1ccc([C@H](CN2C(=O)CC(C)CC2=O)NC)cc1 ZINC000093356546 184666614 /nfs/dbraw/zinc/66/66/14/184666614.db2.gz HORGZLAITAQGOM-HNNXBMFYSA-N 0 3 288.391 2.295 10 0 CEAEHN COC[C@H](C)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000103382231 285330691 /nfs/dbraw/zinc/33/06/91/285330691.db2.gz KOSZGFKORDPPAM-ZFWWWQNUSA-N 0 3 288.391 2.280 10 0 CEAEHN Cc1csc([C@@H](C)N2CCC[C@H](NC3CC3)C2=O)n1 ZINC000080331636 177642840 /nfs/dbraw/zinc/64/28/40/177642840.db2.gz AIWOQDGGJHKCRH-PWSUYJOCSA-N 0 3 279.409 2.256 10 0 CEAEHN CCN[C@H](c1ccsc1)[C@@H]1CN(CC)CCO1 ZINC000093914870 184741969 /nfs/dbraw/zinc/74/19/69/184741969.db2.gz BHNPCRJEARJMQZ-QWHCGFSZSA-N 0 3 254.399 2.119 10 0 CEAEHN CC[C@](C)(N)C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000094234250 184767347 /nfs/dbraw/zinc/76/73/47/184767347.db2.gz ARFOESAYELHICT-ZDUSSCGKSA-N 0 3 252.362 2.147 10 0 CEAEHN Cn1ccc([C@@H](N)Cc2nc(C(C)(C)C)cs2)n1 ZINC000094256530 184770282 /nfs/dbraw/zinc/77/02/82/184770282.db2.gz QAVHTSKNVZMDIS-VIFPVBQESA-N 0 3 264.398 2.417 10 0 CEAEHN COC(=O)c1ccc(CN[C@@H](C)CC(C)C)nc1 ZINC000094759786 184855015 /nfs/dbraw/zinc/85/50/15/184855015.db2.gz CBBIPGURWRQXTJ-NSHDSACASA-N 0 3 250.342 2.392 10 0 CEAEHN C[C@@H](N)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000262098445 131191062 /nfs/dbraw/zinc/19/10/62/131191062.db2.gz CILQTNHEJNKYDM-KOLCDFICSA-N 0 3 274.286 2.014 10 0 CEAEHN Cc1cc([C@H](NC(=O)[C@H](C)N)C2CC2)ccc1F ZINC000262694658 131251220 /nfs/dbraw/zinc/25/12/20/131251220.db2.gz CJOFIMVAWDSIQE-TVQRCGJNSA-N 0 3 250.317 2.049 10 0 CEAEHN COc1cc(F)ccc1N1CCNC[C@@H]1C(C)C ZINC000083393386 135018072 /nfs/dbraw/zinc/01/80/72/135018072.db2.gz IRCNLTAICBFJOV-CYBMUJFWSA-N 0 3 252.333 2.269 10 0 CEAEHN C[C@@H]1CNCCN1c1ccccc1OC(F)(F)F ZINC000083433805 135020878 /nfs/dbraw/zinc/02/08/78/135020878.db2.gz CENBOVOQEHEBJQ-SECBINFHSA-N 0 3 260.259 2.383 10 0 CEAEHN CC[C@@H]1CNCCN1c1ccc(C(F)(F)F)nc1 ZINC000083431695 135021106 /nfs/dbraw/zinc/02/11/06/135021106.db2.gz OSCWWSWKAAFTNT-SECBINFHSA-N 0 3 259.275 2.289 10 0 CEAEHN NCc1cc(N2CCC[C@@H](C(F)(F)F)C2)ccn1 ZINC000088416198 135054032 /nfs/dbraw/zinc/05/40/32/135054032.db2.gz KGDZHLRZIUMANQ-SECBINFHSA-N 0 3 259.275 2.319 10 0 CEAEHN CCn1nc(C)cc1C(=O)N1CC[C@H](N)c2ccccc21 ZINC000090122372 135062262 /nfs/dbraw/zinc/06/22/62/135062262.db2.gz AFGBKKCWXNDYRP-ZDUSSCGKSA-N 0 3 284.363 2.262 10 0 CEAEHN Clc1cc(CNC2CC2)cnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907740 135066650 /nfs/dbraw/zinc/06/66/50/135066650.db2.gz HOEKEQWACWWJCR-BETUJISGSA-N 0 3 293.798 2.355 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)N1CCSc2ccccc21 ZINC000091138368 135067128 /nfs/dbraw/zinc/06/71/28/135067128.db2.gz SVBGSDBWHMMEIR-LLVKDONJSA-N 0 3 294.445 2.220 10 0 CEAEHN CC(C)(C)NCc1cncc(N2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000091420233 135069409 /nfs/dbraw/zinc/06/94/09/135069409.db2.gz FYSWYPLPBKKCNC-UONOGXRCSA-N 0 3 290.411 2.122 10 0 CEAEHN CC(C)N1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000020387654 394472255 /nfs/dbraw/zinc/47/22/55/394472255.db2.gz ILYYQEWVDSWTTR-UHFFFAOYSA-N 0 3 260.337 2.009 10 0 CEAEHN CC(C)N1CCC[C@H](N2CC[C@@]3(O)CCCC[C@H]3C2)C1=O ZINC000247123034 394527175 /nfs/dbraw/zinc/52/71/75/394527175.db2.gz AMOLIRULAJVDIG-ZOBUZTSGSA-N 0 3 294.439 2.013 10 0 CEAEHN COc1cc(F)cc(CN[C@H]2CCCC[C@H]2O)c1 ZINC000312269218 394540760 /nfs/dbraw/zinc/54/07/60/394540760.db2.gz YWBRKVKMNDZVHK-UONOGXRCSA-N 0 3 253.317 2.227 10 0 CEAEHN CC(C)(C)[C@@H](O)CNCc1ccc2c(c1)OCCCO2 ZINC000324472045 394550109 /nfs/dbraw/zinc/55/01/09/394550109.db2.gz HGKCQSLJGHZWBA-HNNXBMFYSA-N 0 3 279.380 2.345 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC2CCN(OC)CC2)c1C ZINC000421872481 394623269 /nfs/dbraw/zinc/62/32/69/394623269.db2.gz GVVXVBFJPODOAC-NSHDSACASA-N 0 3 280.416 2.196 10 0 CEAEHN C[C@H](NCCc1cn(C)cn1)c1ccc(Cl)cn1 ZINC000414129888 394711345 /nfs/dbraw/zinc/71/13/45/394711345.db2.gz WAYWPXGLHSTPKQ-JTQLQIEISA-N 0 3 264.760 2.362 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCC3(CCC3)C2)[C@@H](C)C1 ZINC000152246404 394990847 /nfs/dbraw/zinc/99/08/47/394990847.db2.gz RNCPFSCGRFFATA-KBPBESRZSA-N 0 3 279.428 2.301 10 0 CEAEHN c1cncc(O[C@@H]2CCN(C[C@@H]3CCCCO3)C2)c1 ZINC000152285985 394992593 /nfs/dbraw/zinc/99/25/93/394992593.db2.gz RYAUICDFPRXAKJ-LSDHHAIUSA-N 0 3 262.353 2.104 10 0 CEAEHN CC(C)(C)OCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152315865 394993445 /nfs/dbraw/zinc/99/34/45/394993445.db2.gz ZYTYPJYTWAESHL-AWEZNQCLSA-N 0 3 264.369 2.350 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCc3ccccc32)C1 ZINC000164407948 395085471 /nfs/dbraw/zinc/08/54/71/395085471.db2.gz QMRPKXHAZHGVFG-HIFRSBDPSA-N 0 3 287.407 2.487 10 0 CEAEHN C[C@H]1CN(C[C@H](O)COc2ccc(F)cc2)CCS1 ZINC000171694706 395097595 /nfs/dbraw/zinc/09/75/95/395097595.db2.gz UJWIUWFOZXRCMR-AAEUAGOBSA-N 0 3 285.384 2.003 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc(F)c(COC)c1)N(C)C ZINC000179240620 395187042 /nfs/dbraw/zinc/18/70/42/395187042.db2.gz APAFCBSEFUHXHP-HNNXBMFYSA-N 0 3 296.386 2.319 10 0 CEAEHN CC[C@@H](O)CN1CCN(CCCc2cccc(C)c2)CC1 ZINC000181122035 395210478 /nfs/dbraw/zinc/21/04/78/395210478.db2.gz PFSVPBYZBNQRFJ-GOSISDBHSA-N 0 3 290.451 2.316 10 0 CEAEHN CC[C@@H]1[C@H](C)CCN1Cc1c(C)nn(C)c1OC ZINC000187579329 395301748 /nfs/dbraw/zinc/30/17/48/395301748.db2.gz JPMVHLCIWGGIPZ-ZWNOBZJWSA-N 0 3 251.374 2.358 10 0 CEAEHN OCC[C@H]1CCN(CCc2c(F)cccc2F)C1 ZINC000402096702 395267887 /nfs/dbraw/zinc/26/78/87/395267887.db2.gz MGKKSNDTGJLMHA-LLVKDONJSA-N 0 3 255.308 2.212 10 0 CEAEHN CCN1CCC[C@H](NC(=O)COc2c(C)cccc2C)C1 ZINC000194626232 395444087 /nfs/dbraw/zinc/44/40/87/395444087.db2.gz DJOITGJDAUEKIM-HNNXBMFYSA-N 0 3 290.407 2.283 10 0 CEAEHN CC1(C)CN[C@H]1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000649317747 396119590 /nfs/dbraw/zinc/11/95/90/396119590.db2.gz PZOMSKFDZVQBJI-QWRGUYRKSA-N 0 3 279.409 2.195 10 0 CEAEHN CCCC1(CNC(=O)N2CC[C@@H](N(C)C)C2)CCC1 ZINC000155285761 289170480 /nfs/dbraw/zinc/17/04/80/289170480.db2.gz FTIYYLHSWAUVMW-CYBMUJFWSA-N 0 3 267.417 2.302 10 0 CEAEHN COc1cc(OC)c(OC)cc1CNCC[C@@H]1CCCO1 ZINC000037988652 400123003 /nfs/dbraw/zinc/12/30/03/400123003.db2.gz PBTKILIOAOSBEC-ZDUSSCGKSA-N 0 3 295.379 2.371 10 0 CEAEHN COc1cccc(CNCC[C@@H]2CCCO2)c1OC ZINC000037988598 400123413 /nfs/dbraw/zinc/12/34/13/400123413.db2.gz SQZZNACVGSVUSK-ZDUSSCGKSA-N 0 3 265.353 2.363 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)CC(F)F)c1cc(F)ccc1F ZINC000388457085 400532637 /nfs/dbraw/zinc/53/26/37/400532637.db2.gz ZVUCIFHTAPSVLX-WKEGUHRASA-N 0 3 278.249 2.125 10 0 CEAEHN c1cc(CNC2[C@@H]3C[C@H]2CN(Cc2ccccc2)C3)n[nH]1 ZINC000399613838 400564227 /nfs/dbraw/zinc/56/42/27/400564227.db2.gz IQVAUMNKFHAYLA-FKEKPDDDSA-N 0 3 282.391 2.020 10 0 CEAEHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2N)cc1 ZINC000032629472 292185806 /nfs/dbraw/zinc/18/58/06/292185806.db2.gz GYKPRYVYGWAFFY-CHWSQXEVSA-N 0 3 253.367 2.039 10 0 CEAEHN O[C@@H](CN1CC[C@@H](Oc2cccnc2)C1)C1CCCCC1 ZINC000190737553 153141683 /nfs/dbraw/zinc/14/16/83/153141683.db2.gz WFMMFRGBYBOYAD-SJORKVTESA-N 0 3 290.407 2.476 10 0 CEAEHN CC[C@@]1(CO)CCCN1Cc1cnn(C(C)(C)C)c1 ZINC000191011754 153157679 /nfs/dbraw/zinc/15/76/79/153157679.db2.gz ZJAYPQJCFHHPHU-HNNXBMFYSA-N 0 3 265.401 2.375 10 0 CEAEHN C[C@H](CC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000195309186 153281697 /nfs/dbraw/zinc/28/16/97/153281697.db2.gz DPFPWYSGAQTMLY-GDBMZVCRSA-N 0 3 272.392 2.487 10 0 CEAEHN O=C(c1ccc(OC(F)F)cc1)N1CCN2CCC[C@@H]2C1 ZINC000195309239 153284414 /nfs/dbraw/zinc/28/44/14/153284414.db2.gz WZSNUKBSRXWOFJ-GFCCVEGCSA-N 0 3 296.317 2.208 10 0 CEAEHN Cc1cnn(CCNCc2cccc3cc[nH]c32)c1 ZINC000223042055 153314789 /nfs/dbraw/zinc/31/47/89/153314789.db2.gz NLROFVPNGNLXNO-UHFFFAOYSA-N 0 3 254.337 2.463 10 0 CEAEHN CN1CCNC[C@H]1c1noc(C(C)(C)c2cccs2)n1 ZINC000263274272 154048903 /nfs/dbraw/zinc/04/89/03/154048903.db2.gz SQBUXIBIHCRQEK-JTQLQIEISA-N 0 3 292.408 2.033 10 0 CEAEHN CCCC[C@@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263533658 154116315 /nfs/dbraw/zinc/11/63/15/154116315.db2.gz XYRSUCOOIXGGOC-LRVUVFPRSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCC[C@@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263533658 154116317 /nfs/dbraw/zinc/11/63/17/154116317.db2.gz XYRSUCOOIXGGOC-LRVUVFPRSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000178571954 165248687 /nfs/dbraw/zinc/24/86/87/165248687.db2.gz XTBVCSNJHPGVPB-NOPHNCEQSA-N 0 3 296.436 2.185 10 0 CEAEHN O=C(c1cnc2ccc(F)cc2c1)N1CCN2CCC[C@H]2C1 ZINC000179342346 165276176 /nfs/dbraw/zinc/27/61/76/165276176.db2.gz TXVIAYQECUXVDK-HNNXBMFYSA-N 0 3 299.349 2.294 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1ncc(C)s1 ZINC000180527617 165314334 /nfs/dbraw/zinc/31/43/34/165314334.db2.gz QMHUOWQXSWYYHS-LBPRGKRZSA-N 0 3 253.415 2.368 10 0 CEAEHN COCc1ccsc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000182375348 165369551 /nfs/dbraw/zinc/36/95/51/165369551.db2.gz YRQGEKMRNGSQDN-AAEUAGOBSA-N 0 3 296.436 2.353 10 0 CEAEHN CCOC(=O)c1ccc(NC(=O)CNC(C)(C)C)cc1 ZINC000016473571 170698610 /nfs/dbraw/zinc/69/86/10/170698610.db2.gz MPCRTXMJJCVFMQ-UHFFFAOYSA-N 0 3 278.352 2.190 10 0 CEAEHN COc1ccc([C@H](CN)NC(=O)OC(C)(C)C)c(OC)c1 ZINC000019414498 170790664 /nfs/dbraw/zinc/79/06/64/170790664.db2.gz ZGJAIJXWRLTOKZ-LBPRGKRZSA-N 0 3 296.367 2.228 10 0 CEAEHN Cc1ccc(C[NH3+])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000020189540 171055711 /nfs/dbraw/zinc/05/57/11/171055711.db2.gz FOOOMWXSQBDUSY-UHFFFAOYSA-N 0 3 294.351 2.394 10 0 CEAEHN N[C@@H](CN1CCOC1=O)c1cccc(C(F)(F)F)c1 ZINC000020262280 171120137 /nfs/dbraw/zinc/12/01/37/171120137.db2.gz QFFWROQOEDGEFT-JTQLQIEISA-N 0 3 274.242 2.157 10 0 CEAEHN CN(C)CCNc1ccccc1I ZINC000020359029 171158443 /nfs/dbraw/zinc/15/84/43/171158443.db2.gz LXVPXLGABKTFDU-UHFFFAOYSA-N 0 3 290.148 2.265 10 0 CEAEHN CC(C)[C@@H](C)NS(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000020523650 171236115 /nfs/dbraw/zinc/23/61/15/171236115.db2.gz NJLMCPAPWDQISR-GHMZBOCLSA-N 0 3 270.398 2.029 10 0 CEAEHN CSc1ccc([C@H](CN)N2CCO[C@@H](C)C2)cc1 ZINC000020523748 171236559 /nfs/dbraw/zinc/23/65/59/171236559.db2.gz LYGUXTVMRVSWBQ-FZMZJTMJSA-N 0 3 266.410 2.129 10 0 CEAEHN CCN1CCC[C@@H]1CN1C(=S)N=NC1C(C)C ZINC000020590095 171261017 /nfs/dbraw/zinc/26/10/17/171261017.db2.gz AJLSKNKBQJVPIL-SNVBAGLBSA-N 0 3 254.403 2.175 10 0 CEAEHN CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@H]1NC ZINC000022065444 171352165 /nfs/dbraw/zinc/35/21/65/171352165.db2.gz PDJZPNKVLDWEKI-GDBMZVCRSA-N 0 3 259.349 2.426 10 0 in-vitro CEAEHN CCc1ccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022161530 171364265 /nfs/dbraw/zinc/36/42/65/171364265.db2.gz LUMMBBHADOSUPE-XEZPLFJOSA-N 0 3 262.397 2.358 10 0 CEAEHN C[C@@H]1CN([C@H](CN)c2ccccc2Cl)C[C@@H](C)O1 ZINC000022169974 171367548 /nfs/dbraw/zinc/36/75/48/171367548.db2.gz NEXRPJBJQLTLSX-JTNHKYCSSA-N 0 3 268.788 2.449 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccccc2Cl)C[C@H](C)O1 ZINC000022169971 171367898 /nfs/dbraw/zinc/36/78/98/171367898.db2.gz NEXRPJBJQLTLSX-WDMOLILDSA-N 0 3 268.788 2.449 10 0 CEAEHN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1CN ZINC000022171568 171368183 /nfs/dbraw/zinc/36/81/83/171368183.db2.gz ULZMUNYPWKCQTH-WCQYABFASA-N 0 3 282.409 2.002 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccccc2Cl)CCO1 ZINC000022212777 171374265 /nfs/dbraw/zinc/37/42/65/171374265.db2.gz NJQZAIVCQWSJIE-MFKMUULPSA-N 0 3 254.761 2.061 10 0 CEAEHN CC(=O)Nc1ccccc1Oc1cc(CN)ccn1 ZINC000022222965 171379238 /nfs/dbraw/zinc/37/92/38/171379238.db2.gz BVIBPZJJRFYVBT-UHFFFAOYSA-N 0 3 257.293 2.291 10 0 CEAEHN O=C(CSC1=NCCN1)Nc1cccc2ccccc21 ZINC000027299020 171512348 /nfs/dbraw/zinc/51/23/48/171512348.db2.gz UVWIFQCHDZKRGF-UHFFFAOYSA-N 0 3 285.372 2.471 10 0 CEAEHN CN(CC(=O)c1c(F)cccc1F)C1CCN(C)CC1 ZINC000035020511 171939007 /nfs/dbraw/zinc/93/90/07/171939007.db2.gz GTQFXJVSSCYUJT-UHFFFAOYSA-N 0 3 282.334 2.174 10 0 CEAEHN COc1ccc(C)cc1CN[C@@H]1CN2CCC1CC2 ZINC000035165284 172027275 /nfs/dbraw/zinc/02/72/75/172027275.db2.gz VSZNXHSFADHVIM-OAHLLOKOSA-N 0 3 260.381 2.187 10 0 CEAEHN CCCNCc1c(N2CCCC2)nc2sccn12 ZINC000035429556 172197349 /nfs/dbraw/zinc/19/73/49/172197349.db2.gz RVTARYDZCQDMKB-UHFFFAOYSA-N 0 3 264.398 2.496 10 0 CEAEHN C[C@@H]1C[C@H](C)CN(c2nc3sccn3c2CN)C1 ZINC000035429883 172198172 /nfs/dbraw/zinc/19/81/72/172198172.db2.gz MOFCYBDYLVKAFD-AOOOYVTPSA-N 0 3 264.398 2.337 10 0 CEAEHN CN[C@H](c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000035469690 172220793 /nfs/dbraw/zinc/22/07/93/172220793.db2.gz BYISOLCGVGUUFR-HNNXBMFYSA-N 0 3 256.305 2.162 10 0 CEAEHN CCN[C@H](C)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000035632782 172315547 /nfs/dbraw/zinc/31/55/47/172315547.db2.gz WIDXROTVDQZGGB-GFCCVEGCSA-N 0 3 284.425 2.388 10 0 CEAEHN C[C@H](NC1CCS(=O)(=O)CC1)c1cccc(F)c1 ZINC000035652360 172329995 /nfs/dbraw/zinc/32/99/95/172329995.db2.gz RHULXKAQFOCSHF-JTQLQIEISA-N 0 3 271.357 2.054 10 0 CEAEHN N[C@H]1CC(=O)N(c2ccccc2-c2ccccc2)C1 ZINC000035679727 172350190 /nfs/dbraw/zinc/35/01/90/172350190.db2.gz UFJGKWJNDBZDKW-ZDUSSCGKSA-N 0 3 252.317 2.418 10 0 CEAEHN CCCN[C@H]1c2cc(F)ccc2S(=O)(=O)C[C@@H]1C ZINC000035761542 172399326 /nfs/dbraw/zinc/39/93/26/172399326.db2.gz RMGUOEITKDEHOK-TVQRCGJNSA-N 0 3 271.357 2.290 10 0 CEAEHN CCN[C@H]1c2cccc(Cl)c2S(=O)(=O)C[C@H]1C ZINC000035761267 172399659 /nfs/dbraw/zinc/39/96/59/172399659.db2.gz ULFOTONYNSPVCY-LDYMZIIASA-N 0 3 273.785 2.414 10 0 CEAEHN CN[C@@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@H]1C ZINC000035760920 172399649 /nfs/dbraw/zinc/39/96/49/172399649.db2.gz VJZSNXQNUZJVEL-HQJQHLMTSA-N 0 3 259.758 2.024 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000037030192 172896752 /nfs/dbraw/zinc/89/67/52/172896752.db2.gz MKRKWKQORLKCDZ-DTZPQEEQSA-N 0 3 264.413 2.301 10 0 CEAEHN Cc1cn2c(CN[C@@H]3CCC[C@H](O)C3)c(C)nc2s1 ZINC000037166154 173000917 /nfs/dbraw/zinc/00/09/17/173000917.db2.gz WSFAAWRERSOHJZ-NEPJUHHUSA-N 0 3 279.409 2.406 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc(C)c(C)c2)CCO1 ZINC000037180127 173012690 /nfs/dbraw/zinc/01/26/90/173012690.db2.gz JQLOTVIBVYWHSY-CVEARBPZSA-N 0 3 262.397 2.414 10 0 CEAEHN CC[C@@H](C)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186493 173017181 /nfs/dbraw/zinc/01/71/81/173017181.db2.gz MRJZGFZYBCDSRD-ZYHUDNBSSA-N 0 3 253.367 2.293 10 0 CEAEHN COCCCN[C@@H]1CCOc2ccc(OC)cc21 ZINC000037232473 173051331 /nfs/dbraw/zinc/05/13/31/173051331.db2.gz PRSWTULSAKZKIE-CYBMUJFWSA-N 0 3 251.326 2.145 10 0 CEAEHN COCCCN[C@H]1CCOc2ccc(OC)cc21 ZINC000037232474 173051604 /nfs/dbraw/zinc/05/16/04/173051604.db2.gz PRSWTULSAKZKIE-ZDUSSCGKSA-N 0 3 251.326 2.145 10 0 CEAEHN CN(c1ccc(F)cc1C=O)C1CCN(C)CC1 ZINC000037233743 173053421 /nfs/dbraw/zinc/05/34/21/173053421.db2.gz JENPSJLELMMQFQ-UHFFFAOYSA-N 0 3 250.317 2.169 10 0 CEAEHN O=C(CN[C@@H](c1ccc(F)cc1)C1CC1)NC1CC1 ZINC000037262975 173072701 /nfs/dbraw/zinc/07/27/01/173072701.db2.gz ABBISNMYGLITMG-OAHLLOKOSA-N 0 3 262.328 2.145 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1cc(OC)ccc1OC ZINC000037386318 173169125 /nfs/dbraw/zinc/16/91/25/173169125.db2.gz BXQXDSOIWNSEMG-JTQLQIEISA-N 0 3 266.341 2.030 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000037386421 173169485 /nfs/dbraw/zinc/16/94/85/173169485.db2.gz LPDRKHITFAIBTA-SNVBAGLBSA-N 0 3 266.341 2.030 10 0 CEAEHN CC(C)NCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000037396010 173177097 /nfs/dbraw/zinc/17/70/97/173177097.db2.gz YJERMZBRVBZUQF-UWVGGRQHSA-N 0 3 266.307 2.222 10 0 CEAEHN CSCC[C@H](N)c1nc2cc(F)ccc2n1C ZINC000037439283 173209206 /nfs/dbraw/zinc/20/92/06/173209206.db2.gz LFRGREJYBADMSA-VIFPVBQESA-N 0 3 253.346 2.465 10 0 CEAEHN COc1ccc2c(c1)[C@H](NC[C@H](C)N(C)C)CCO2 ZINC000038087429 174099351 /nfs/dbraw/zinc/09/93/51/174099351.db2.gz FZHITJRFCFOYQA-SMDDNHRTSA-N 0 3 264.369 2.059 10 0 CEAEHN CC(C)[C@@H](N)C(=O)N1CCc2sccc2[C@H]1C ZINC000038100845 174116188 /nfs/dbraw/zinc/11/61/88/174116188.db2.gz HOKIYNZJIWOBAY-BXKDBHETSA-N 0 3 252.383 2.177 10 0 CEAEHN CCN(CC)CCOC(=O)c1ccccc1OC(C)=O ZINC000038420721 174141415 /nfs/dbraw/zinc/14/14/15/174141415.db2.gz GHIVDTCFLFLOBV-UHFFFAOYSA-N 0 3 279.336 2.111 10 0 CEAEHN CCOC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000039258158 174167526 /nfs/dbraw/zinc/16/75/26/174167526.db2.gz UAOGRQNBTQAYKH-UHFFFAOYSA-N 0 3 262.353 2.397 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1ccccc1F ZINC000040464180 174273167 /nfs/dbraw/zinc/27/31/67/174273167.db2.gz KCRBZPZSVWVYPY-BXKDBHETSA-N 0 3 252.333 2.376 10 0 CEAEHN CCCO[C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000040501409 174297547 /nfs/dbraw/zinc/29/75/47/174297547.db2.gz CSBZWGAEHHUFHO-ZDUSSCGKSA-N 0 3 268.401 2.066 10 0 CEAEHN CCN1CCC[C@@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000040502118 174298145 /nfs/dbraw/zinc/29/81/45/174298145.db2.gz JIOACAMOJBOGLE-MRXNPFEDSA-N 0 3 284.407 2.446 10 0 CEAEHN CCN1CCC[C@H](NCc2cn(C)nc2C(C)C)C1 ZINC000040502971 174299218 /nfs/dbraw/zinc/29/92/18/174299218.db2.gz OPPCJQSTJQTCKR-AWEZNQCLSA-N 0 3 264.417 2.117 10 0 CEAEHN CCCCOCCN[C@@H](C)C(=O)NC(C)(C)CC ZINC000040507356 174302646 /nfs/dbraw/zinc/30/26/46/174302646.db2.gz RNZTWDJVIWNGDV-LBPRGKRZSA-N 0 3 258.406 2.086 10 0 CEAEHN CCCCOCCN[C@H](C)C(=O)NC(C)(C)CC ZINC000040507357 174302744 /nfs/dbraw/zinc/30/27/44/174302744.db2.gz RNZTWDJVIWNGDV-GFCCVEGCSA-N 0 3 258.406 2.086 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)CCc2ccccn2)n1 ZINC000040509357 174303628 /nfs/dbraw/zinc/30/36/28/174303628.db2.gz NMUKAPCNTLMBLQ-UHFFFAOYSA-N 0 3 270.380 2.231 10 0 CEAEHN COC(=O)C[C@@H](C)N[C@@H](C)c1sc(C)nc1C ZINC000040518627 174307893 /nfs/dbraw/zinc/30/78/93/174307893.db2.gz CERCSJIZHNOHSX-SFYZADRCSA-N 0 3 256.371 2.362 10 0 CEAEHN CCN(CC)[C@H](CNC(C)=O)c1ccc(OC)cc1 ZINC000040614842 174353689 /nfs/dbraw/zinc/35/36/89/174353689.db2.gz SUCSNYPSCDSIBV-OAHLLOKOSA-N 0 3 264.369 2.214 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccccc2C(C)C)C1 ZINC000040630078 174357993 /nfs/dbraw/zinc/35/79/93/174357993.db2.gz CDEKXQUWXJALSG-RISCZKNCSA-N 0 3 262.353 2.125 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000040631111 174358142 /nfs/dbraw/zinc/35/81/42/174358142.db2.gz PSMLCLYWKVFNLX-GMSGAONNSA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3ccc(F)c(F)c3)c[nH]2)C1 ZINC000040637847 174362115 /nfs/dbraw/zinc/36/21/15/174362115.db2.gz CFBGBNZTGJBCMY-BXKDBHETSA-N 0 3 279.290 2.404 10 0 CEAEHN CCOC(=O)N[C@@H](CN)c1cccc(OC(C)C)c1 ZINC000040641005 174364161 /nfs/dbraw/zinc/36/41/61/174364161.db2.gz SLTPYCODGCXFLA-ZDUSSCGKSA-N 0 3 266.341 2.220 10 0 CEAEHN CC(C)(N)c1cn(Cc2cc(F)cc3cccnc32)nn1 ZINC000070118811 414764861 /nfs/dbraw/zinc/76/48/61/414764861.db2.gz FEONYGVDODGGLG-UHFFFAOYSA-N 0 3 285.326 2.208 10 0 CEAEHN CSc1ccc(C(=O)N(C)[C@H](CN)C(F)(F)F)cc1 ZINC000662978404 414816976 /nfs/dbraw/zinc/81/69/76/414816976.db2.gz PBRJWBIEPAIANZ-SNVBAGLBSA-N 0 3 292.326 2.370 10 0 CEAEHN CCCC[C@H](C)C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662984988 414819058 /nfs/dbraw/zinc/81/90/58/414819058.db2.gz QCIUMRLMDUHTTN-DTWKUNHWSA-N 0 3 254.296 2.161 10 0 CEAEHN CN(C(=O)CC1=CCCCC1)[C@@H](CN)C(F)(F)F ZINC000662986687 414819328 /nfs/dbraw/zinc/81/93/28/414819328.db2.gz IDOURHQLGAJEGQ-JTQLQIEISA-N 0 3 264.291 2.225 10 0 CEAEHN CN(C(=O)CCC(C)(C)C)[C@H](CN)C(F)(F)F ZINC000662982444 414819503 /nfs/dbraw/zinc/81/95/03/414819503.db2.gz ICKABBIORYGZHB-MRVPVSSYSA-N 0 3 254.296 2.161 10 0 CEAEHN Cc1nc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)co1 ZINC000660464477 414835010 /nfs/dbraw/zinc/83/50/10/414835010.db2.gz LLTKINIFUFEALW-RBSFLKMASA-N 0 3 264.369 2.499 10 0 CEAEHN CCN1CCC[C@H](NCc2nccn2C(C)C)C1 ZINC000657326032 414861705 /nfs/dbraw/zinc/86/17/05/414861705.db2.gz RMXCZUCHERDAAS-ZDUSSCGKSA-N 0 3 250.390 2.038 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1snnc1C ZINC000311832385 414861795 /nfs/dbraw/zinc/86/17/95/414861795.db2.gz PHTQLZYIKRHENV-QWHCGFSZSA-N 0 3 280.441 2.295 10 0 CEAEHN COc1ccc(CNC2CC(CO)C2)cc1Cl ZINC000657812323 415089743 /nfs/dbraw/zinc/08/97/43/415089743.db2.gz HXFLPYYLBMMNFV-UHFFFAOYSA-N 0 3 255.745 2.209 10 0 CEAEHN CCN[C@@H](c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043300809 175001434 /nfs/dbraw/zinc/00/14/34/175001434.db2.gz BAADVFPLMYDXKI-NOZJJQNGSA-N 0 3 289.347 2.050 10 0 CEAEHN CCN[C@H](c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300786 175001769 /nfs/dbraw/zinc/00/17/69/175001769.db2.gz DRIHAVOIFZVQPZ-UKRRQHHQSA-N 0 3 297.420 2.171 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N(CCOC)C1CC1 ZINC000043335872 175011333 /nfs/dbraw/zinc/01/13/33/175011333.db2.gz JCCZPOOGWGARDY-TZMCWYRMSA-N 0 3 252.358 2.169 10 0 CEAEHN CN(Cc1cccc(F)c1)[C@@H](CN)c1ccncc1 ZINC000043353199 175020055 /nfs/dbraw/zinc/02/00/55/175020055.db2.gz ZRBRDZBBFICUKP-HNNXBMFYSA-N 0 3 259.328 2.353 10 0 CEAEHN COC1CCN([C@H](c2ccc(C)o2)[C@@H](C)N)CC1 ZINC000043364099 175024496 /nfs/dbraw/zinc/02/44/96/175024496.db2.gz KXOIUGQGILYZPV-RISCZKNCSA-N 0 3 252.358 2.087 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N(C)Cc1cnn(C)c1 ZINC000043364816 175025693 /nfs/dbraw/zinc/02/56/93/175025693.db2.gz YKVPRGZIDZXGTF-ZFWWWQNUSA-N 0 3 276.384 2.232 10 0 CEAEHN CC[C@@H](N[C@@H]1CCNC1=O)c1cccc(Br)c1 ZINC000658052652 415174590 /nfs/dbraw/zinc/17/45/90/415174590.db2.gz FQPYPRVMZHJNQH-VXGBXAGGSA-N 0 3 297.196 2.378 10 0 CEAEHN CN[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cc(C)ccc1OC ZINC000043811400 175110486 /nfs/dbraw/zinc/11/04/86/175110486.db2.gz CVWQCAUUDQBRFF-LZWOXQAQSA-N 0 3 292.423 2.373 10 0 CEAEHN CCN[C@H](CN(C)C)c1ccc2c(c1)OCCCO2 ZINC000043816095 175112599 /nfs/dbraw/zinc/11/25/99/175112599.db2.gz BMIVJSCVCXEPIA-CYBMUJFWSA-N 0 3 264.369 2.060 10 0 CEAEHN CCOc1ccccc1[C@H](CN1CCOC[C@@H]1C)NC ZINC000043891160 175118104 /nfs/dbraw/zinc/11/81/04/175118104.db2.gz BXMZDAHPOMFTSS-ZFWWWQNUSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](CN1CCOC(C)(C)C1)c1cccc(OC)c1 ZINC000043897658 175120339 /nfs/dbraw/zinc/12/03/39/175120339.db2.gz RUVYWBWOJBGIOW-OAHLLOKOSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@@H](CN1CCOC(C)(C)C1)c1ccccc1OC ZINC000043897627 175120470 /nfs/dbraw/zinc/12/04/70/175120470.db2.gz RNPGSDFBDYEVFJ-AWEZNQCLSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@@H](CN(C)CCOC)c1ccc(OC(C)C)cc1 ZINC000043915483 175124805 /nfs/dbraw/zinc/12/48/05/175124805.db2.gz FPAQJHZHPNHGCS-INIZCTEOSA-N 0 3 280.412 2.313 10 0 CEAEHN NC[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000044795302 175254645 /nfs/dbraw/zinc/25/46/45/175254645.db2.gz NOGHGKHOJVSXLN-CQSZACIVSA-N 0 3 254.333 2.443 10 0 CEAEHN CC[C@@H]1CCCN(C(=O)[C@@H](CN)Cc2ccccc2)C1 ZINC000044802131 175255586 /nfs/dbraw/zinc/25/55/86/175255586.db2.gz DZXRRBQPVYNBSC-GDBMZVCRSA-N 0 3 274.408 2.453 10 0 CEAEHN CC(C)CCN(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044804457 175256250 /nfs/dbraw/zinc/25/62/50/175256250.db2.gz MQXBBXMETVJEQV-HNNXBMFYSA-N 0 3 262.397 2.309 10 0 CEAEHN CC[C@@H]1CCCN1C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044803289 175256306 /nfs/dbraw/zinc/25/63/06/175256306.db2.gz AADORWSRBHIIOB-HUUCEWRRSA-N 0 3 260.381 2.205 10 0 CEAEHN CCCN[C@](C)(CN1CCCC[C@@H]1C)C(=O)OCC ZINC000045226977 175333266 /nfs/dbraw/zinc/33/32/66/175333266.db2.gz ZJCSWYDWWMAXGE-DZGCQCFKSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN[C@](CN(C)[C@@H](C)CC)(C(N)=O)c1ccccc1 ZINC000045263794 175337739 /nfs/dbraw/zinc/33/77/39/175337739.db2.gz HOYOUYAFFGBYNW-YOEHRIQHSA-N 0 3 291.439 2.097 10 0 CEAEHN CCCN(C[C@@](NC)(C(=O)OC)c1ccccc1)C(C)C ZINC000045266700 175339139 /nfs/dbraw/zinc/33/91/39/175339139.db2.gz ZZJAQBPUFINFSA-KRWDZBQOSA-N 0 3 292.423 2.395 10 0 CEAEHN CCCCCN(C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045268075 175340313 /nfs/dbraw/zinc/34/03/13/175340313.db2.gz HMXVIOJDTMWSCP-KRWDZBQOSA-N 0 3 292.423 2.396 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269901 175341525 /nfs/dbraw/zinc/34/15/25/175341525.db2.gz TYEFGVBUDJZSBN-JSGCOSHPSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269901 175341526 /nfs/dbraw/zinc/34/15/26/175341526.db2.gz TYEFGVBUDJZSBN-JSGCOSHPSA-N 0 3 258.406 2.196 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269901 175341527 /nfs/dbraw/zinc/34/15/27/175341527.db2.gz TYEFGVBUDJZSBN-JSGCOSHPSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@](C)(CN(C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045274725 175344852 /nfs/dbraw/zinc/34/48/52/175344852.db2.gz AJTJZIIHXPNOJU-SWLSCSKDSA-N 0 3 272.433 2.284 10 0 CEAEHN CCCCN(C[C@@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045276268 175346227 /nfs/dbraw/zinc/34/62/27/175346227.db2.gz UJQHQKOBPMSIPW-OAHLLOKOSA-N 0 3 270.417 2.181 10 0 CEAEHN COC(=O)[C@@](C)(CN(CC(C)C)C1CC1)NC(C)C ZINC000045277507 175347654 /nfs/dbraw/zinc/34/76/54/175347654.db2.gz PSJKVBHWISGUOX-OAHLLOKOSA-N 0 3 270.417 2.037 10 0 CEAEHN CCC1CCC([N@H+](C)CC[C@@](C)(NC)C(=O)[O-])CC1 ZINC000045281128 175351750 /nfs/dbraw/zinc/35/17/50/175351750.db2.gz GVVPZLSETHUFLJ-SSDMNJCBSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC1CCC([N@@H+](C)CC[C@@](C)(NC)C(=O)[O-])CC1 ZINC000045281128 175351751 /nfs/dbraw/zinc/35/17/51/175351751.db2.gz GVVPZLSETHUFLJ-SSDMNJCBSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC1CCN(CC[C@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000045281421 175351763 /nfs/dbraw/zinc/35/17/63/175351763.db2.gz RSKWATHFUOEFEQ-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1CCC(CC)CC1)C(=O)[O-] ZINC000045281416 175351803 /nfs/dbraw/zinc/35/18/03/175351803.db2.gz BAHSXYUJBSBRMQ-HNNXBMFYSA-N 0 3 270.417 2.341 10 0 CEAEHN CCCN[C@@](C)(CN(C)CC1CCCCC1)C(=O)OC ZINC000045281567 175352726 /nfs/dbraw/zinc/35/27/26/175352726.db2.gz PQGPKNIMAVIKQW-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN NCc1ccn(Cc2cc(Br)ccc2F)n1 ZINC000070708202 176002318 /nfs/dbraw/zinc/00/23/18/176002318.db2.gz RYRLSVCAOJQMGZ-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN NCc1ccn(Cc2ccccc2Br)n1 ZINC000070708160 176002382 /nfs/dbraw/zinc/00/23/82/176002382.db2.gz LOQBKBUKNOLXDJ-UHFFFAOYSA-N 0 3 266.142 2.153 10 0 CEAEHN c1csc(CCNC2=NC[C@@H](C3CC3)S2)n1 ZINC000070889327 176010749 /nfs/dbraw/zinc/01/07/49/176010749.db2.gz URKZNQAUGYZQMR-VIFPVBQESA-N 0 3 253.396 2.157 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc2ncccc2c1 ZINC000070987266 176018347 /nfs/dbraw/zinc/01/83/47/176018347.db2.gz XBYYVNCGAAUONO-PBHICJAKSA-N 0 3 281.359 2.388 10 0 CEAEHN CCc1ccccc1[C@@H]1[C@H](N)CCC(=O)N1C1CC1 ZINC000070987074 176018470 /nfs/dbraw/zinc/01/84/70/176018470.db2.gz OLGYAJLSEGBEBM-GDBMZVCRSA-N 0 3 258.365 2.402 10 0 CEAEHN [O-]c1ccc(C[NH2+][C@H]2CCCOC2)cc1Br ZINC000071012614 176020717 /nfs/dbraw/zinc/02/07/17/176020717.db2.gz FXOGHHHOEXJTAZ-JTQLQIEISA-N 0 3 286.169 2.423 10 0 CEAEHN C[C@H](c1ccccc1F)N1CC[C@H](NC2CC2)C1=O ZINC000071031902 176023024 /nfs/dbraw/zinc/02/30/24/176023024.db2.gz GLHPFHOVINUQGF-YGRLFVJLSA-N 0 3 262.328 2.240 10 0 CEAEHN C[C@@H](c1ccccc1F)N1CC[C@@H](NC2CC2)C1=O ZINC000071031903 176023057 /nfs/dbraw/zinc/02/30/57/176023057.db2.gz GLHPFHOVINUQGF-IINYFYTJSA-N 0 3 262.328 2.240 10 0 CEAEHN CCC1CCC(N2CC[C@H](NC3CC3)C2=O)CC1 ZINC000071035269 176024820 /nfs/dbraw/zinc/02/48/20/176024820.db2.gz JBCTWTGDKGUSKI-UBHUBRDASA-N 0 3 250.386 2.308 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1Cc1ccc(F)c(F)c1 ZINC000071034462 176025022 /nfs/dbraw/zinc/02/50/22/176025022.db2.gz RMGSPRMELDDXQL-AWEZNQCLSA-N 0 3 280.318 2.208 10 0 CEAEHN Cc1nc(N2CCC[C@H](NC3CC3)C2=O)sc1C ZINC000071037181 176025935 /nfs/dbraw/zinc/02/59/35/176025935.db2.gz ZOAJXJDFTWKMDZ-NSHDSACASA-N 0 3 265.382 2.007 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1C1CCCCCCC1 ZINC000071037731 176026413 /nfs/dbraw/zinc/02/64/13/176026413.db2.gz YXXXYTTUJAFSPE-AWEZNQCLSA-N 0 3 250.386 2.452 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1CCc1ccccc1F ZINC000071038355 176027034 /nfs/dbraw/zinc/02/70/34/176027034.db2.gz MDCYXSOLSFYXSV-HNNXBMFYSA-N 0 3 276.355 2.111 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc(Cl)cc1F ZINC000071039966 176027297 /nfs/dbraw/zinc/02/72/97/176027297.db2.gz FFDYTSPXGKYORA-NSHDSACASA-N 0 3 268.719 2.336 10 0 CEAEHN CC(C)Oc1ccc(N2CC[C@H](NC3CC3)C2=O)cc1 ZINC000071039094 176027332 /nfs/dbraw/zinc/02/73/32/176027332.db2.gz DBYKYUWKTXRRHG-HNNXBMFYSA-N 0 3 274.364 2.331 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1CCc1cc(F)cc(F)c1 ZINC000071042457 176028409 /nfs/dbraw/zinc/02/84/09/176028409.db2.gz ZCACGFOYHFCBQC-OAHLLOKOSA-N 0 3 294.345 2.250 10 0 CEAEHN Cc1cc(N2CCC[C@@H](NC3CC3)C2=O)ccc1F ZINC000071042702 176028588 /nfs/dbraw/zinc/02/85/88/176028588.db2.gz OHCMDUSFDYJTIL-CQSZACIVSA-N 0 3 262.328 2.382 10 0 CEAEHN CC[C@H](CC1CC1)N1CCC[C@H](NC2CC2)C1=O ZINC000071043913 176029788 /nfs/dbraw/zinc/02/97/88/176029788.db2.gz UEFZHXQLZBNNGI-KGLIPLIRSA-N 0 3 250.386 2.308 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccccc2Br)C1 ZINC000071140004 176038463 /nfs/dbraw/zinc/03/84/63/176038463.db2.gz WGOLBRPYCJIWID-JTQLQIEISA-N 0 3 297.196 2.225 10 0 CEAEHN CC[C@H]1CCCC[C@]1(NCCN(CC)CC)C(=O)OC ZINC000071162667 176046539 /nfs/dbraw/zinc/04/65/39/176046539.db2.gz VFMXSHKDRAPFBF-GOEBONIOSA-N 0 3 284.444 2.430 10 0 CEAEHN N=C(N)c1ncccc1COc1cc(F)ccc1F ZINC000071167869 176049253 /nfs/dbraw/zinc/04/92/53/176049253.db2.gz MFWAODDGQCRJSL-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN NCc1ccccc1N[C@@H](CO)Cc1ccccc1 ZINC000071187507 176060783 /nfs/dbraw/zinc/06/07/83/176060783.db2.gz DAGXRMWTVSKJIZ-OAHLLOKOSA-N 0 3 256.349 2.161 10 0 CEAEHN CCOC(=O)c1ncsc1NC[C@H]1CCN(C(C)C)C1 ZINC000071202018 176078095 /nfs/dbraw/zinc/07/80/95/176078095.db2.gz BZFZXTIPOCEWHS-LLVKDONJSA-N 0 3 297.424 2.462 10 0 CEAEHN COC[C@@H](O)CNC1c2ccccc2Cc2ccccc21 ZINC000071264328 176097518 /nfs/dbraw/zinc/09/75/18/176097518.db2.gz XEMUOHJQMLVBNC-HNNXBMFYSA-N 0 3 283.371 2.277 10 0 CEAEHN CCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1CN ZINC000071403378 176154608 /nfs/dbraw/zinc/15/46/08/176154608.db2.gz ATKCVMZWAKZCFR-GFCCVEGCSA-N 0 3 264.369 2.137 10 0 CEAEHN Cc1ccc(OCc2ncc(Cl)n2C)c(CN)c1 ZINC000071403269 176154881 /nfs/dbraw/zinc/15/48/81/176154881.db2.gz YBFXKNMZNJBIIO-UHFFFAOYSA-N 0 3 265.744 2.420 10 0 CEAEHN CC[C@@H](C)NC(=O)COc1ccc(C)cc1CNC ZINC000071403732 176155218 /nfs/dbraw/zinc/15/52/18/176155218.db2.gz NSMHFNMFTQZLID-GFCCVEGCSA-N 0 3 264.369 2.008 10 0 CEAEHN CN1CCN[C@H](c2cc(Br)cs2)C1 ZINC000071587281 176214861 /nfs/dbraw/zinc/21/48/61/176214861.db2.gz QYXIHLCBGGLAJZ-QMMMGPOBSA-N 0 3 261.188 2.087 10 0 CEAEHN CCc1ccc(OC)c(N(C)C(=O)CNC(C)C)c1 ZINC000076369324 177006430 /nfs/dbraw/zinc/00/64/30/177006430.db2.gz JENISUBWRIMZFI-UHFFFAOYSA-N 0 3 264.369 2.218 10 0 CEAEHN N[C@H](Cn1cccn1)c1ccc(Br)s1 ZINC000076413322 177021167 /nfs/dbraw/zinc/02/11/67/177021167.db2.gz YZCZVZKKAOIEBZ-SSDOTTSWSA-N 0 3 272.171 2.407 10 0 CEAEHN CCc1cc(NC(=O)CNC(C)C)ccc1OC ZINC000077432146 177268264 /nfs/dbraw/zinc/26/82/64/177268264.db2.gz ICOXUZUXMFUJPG-UHFFFAOYSA-N 0 3 250.342 2.194 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H]2CC(C)(C)CC[C@@H]2O)CC1 ZINC000079658828 177532166 /nfs/dbraw/zinc/53/21/66/177532166.db2.gz ANFRWMGUUUBTLF-ZNMIVQPWSA-N 0 3 268.445 2.342 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cn1 ZINC000029954530 270224126 /nfs/dbraw/zinc/22/41/26/270224126.db2.gz WRMVSBPFIIDEHW-INIZCTEOSA-N 0 3 283.375 2.423 10 0 CEAEHN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CCCN2C)c1 ZINC000246403826 270327183 /nfs/dbraw/zinc/32/71/83/270327183.db2.gz YCSGWQRORVHHRP-KBMXLJTQSA-N 0 3 288.391 2.009 10 0 CEAEHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000063170881 274236073 /nfs/dbraw/zinc/23/60/73/274236073.db2.gz PYTVDKJMWGDXKR-SSDOTTSWSA-N 0 3 297.207 2.009 10 0 CEAEHN C[C@H](NC[C@H](O)C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177244379 274515476 /nfs/dbraw/zinc/51/54/76/274515476.db2.gz ZSXXBXCDBWVJKG-GWCFXTLKSA-N 0 3 299.296 2.446 10 0 CEAEHN c1ccc(CNC[C@H]2Cc3ccccc3CN2)cc1 ZINC000022867142 275067253 /nfs/dbraw/zinc/06/72/53/275067253.db2.gz SQEFOVHLFDGELY-QGZVFWFLSA-N 0 3 252.361 2.491 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC000248482328 276178204 /nfs/dbraw/zinc/17/82/04/276178204.db2.gz UAFMJWYOXZNCCI-KCQAQPDRSA-N 0 3 252.402 2.269 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccccc1OC ZINC000177035435 276181835 /nfs/dbraw/zinc/18/18/35/276181835.db2.gz WCZBBHBZELZYPI-ZDUSSCGKSA-N 0 3 276.380 2.252 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000193251181 276238529 /nfs/dbraw/zinc/23/85/29/276238529.db2.gz DNVUOHAAAQOGMU-GFCCVEGCSA-N 0 3 283.334 2.438 10 0 CEAEHN CC[C@@H](O)CN1CCN(C/C(C)=C\c2ccccc2)CC1 ZINC000255093434 276444844 /nfs/dbraw/zinc/44/48/44/276444844.db2.gz OKMSQYZLKDZUAB-BBLCHGJFSA-N 0 3 288.435 2.478 10 0 CEAEHN CN1CCO[C@@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000246032377 277120076 /nfs/dbraw/zinc/12/00/76/277120076.db2.gz MDZOVQWQOVUZQG-HOCLYGCPSA-N 0 3 278.371 2.123 10 0 CEAEHN COCCCN(C)CCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000152432197 277205252 /nfs/dbraw/zinc/20/52/52/277205252.db2.gz GXPDOOUTVOQHAQ-CVEARBPZSA-N 0 3 296.455 2.287 10 0 CEAEHN CN1c2ccccc2[C@@H](NC[C@@H]2CCCCO2)CC1=O ZINC000042817221 277218185 /nfs/dbraw/zinc/21/81/85/277218185.db2.gz VBVKEHKPYFGXAG-JSGCOSHPSA-N 0 3 274.364 2.253 10 0 CEAEHN COC[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000103428390 277243834 /nfs/dbraw/zinc/24/38/34/277243834.db2.gz FUADFJVLHPGQGM-ZBFHGGJFSA-N 0 3 290.407 2.222 10 0 CEAEHN COC[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000103428389 277257035 /nfs/dbraw/zinc/25/70/35/277257035.db2.gz FUADFJVLHPGQGM-HOCLYGCPSA-N 0 3 290.407 2.222 10 0 CEAEHN COc1ccc([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282165745 277932708 /nfs/dbraw/zinc/93/27/08/277932708.db2.gz DQAPPLDLPJWWIA-WDMOLILDSA-N 0 3 262.353 2.013 10 0 CEAEHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1ncnn1C ZINC000247267812 277948015 /nfs/dbraw/zinc/94/80/15/277948015.db2.gz ZTIBYTZXVYZIGD-UPJWGTAASA-N 0 3 250.390 2.366 10 0 CEAEHN CS[C@@H](C)CN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000163577000 278141891 /nfs/dbraw/zinc/14/18/91/278141891.db2.gz JNWNNKCSUIPMJG-JQWIXIFHSA-N 0 3 264.394 2.435 10 0 CEAEHN C[C@@H](Cn1cccn1)N[C@@H]1CCOc2ccccc21 ZINC000037155069 278300715 /nfs/dbraw/zinc/30/07/15/278300715.db2.gz FTFRQPOJHMGWHB-GXTWGEPZSA-N 0 3 257.337 2.385 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000263522301 279059774 /nfs/dbraw/zinc/05/97/74/279059774.db2.gz RQLOQQOKHYUSCI-HIFPTAJRSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H]2CCC(C)(C)C2)C1 ZINC000263522301 279059775 /nfs/dbraw/zinc/05/97/75/279059775.db2.gz RQLOQQOKHYUSCI-HIFPTAJRSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H]2CCC(C)(C)C2)C1 ZINC000263522301 279059776 /nfs/dbraw/zinc/05/97/76/279059776.db2.gz RQLOQQOKHYUSCI-HIFPTAJRSA-N 0 3 268.401 2.092 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000263486599 279060322 /nfs/dbraw/zinc/06/03/22/279060322.db2.gz HNCLZGRQKKRPOF-FEPKRQSRSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@H](C)C2)C1 ZINC000263486599 279060323 /nfs/dbraw/zinc/06/03/23/279060323.db2.gz HNCLZGRQKKRPOF-FEPKRQSRSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@H](C)C2)C1 ZINC000263486599 279060325 /nfs/dbraw/zinc/06/03/25/279060325.db2.gz HNCLZGRQKKRPOF-FEPKRQSRSA-N 0 3 268.401 2.092 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C/c2ncccc2C)C1 ZINC000183546505 280114019 /nfs/dbraw/zinc/11/40/19/280114019.db2.gz RLCABZVXAFBYCP-VFNNOXKTSA-N 0 3 273.380 2.004 10 0 CEAEHN COC[C@H](C)OC[C@@H](O)CN[C@H](C)c1cccc(C)c1 ZINC000234756076 280220718 /nfs/dbraw/zinc/22/07/18/280220718.db2.gz OUCIVPUMSFOMLU-LZWOXQAQSA-N 0 3 281.396 2.058 10 0 CEAEHN CCC[C@H](C(=O)NCCN1CCCC[C@H]1CC)N(C)C ZINC000245522372 280247312 /nfs/dbraw/zinc/24/73/12/280247312.db2.gz UJRKSRLAVWTOGK-HUUCEWRRSA-N 0 3 283.460 2.097 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@@H](C)CC[C@@H]2C)C1 ZINC000245675119 280255748 /nfs/dbraw/zinc/25/57/48/280255748.db2.gz FTOYYESCZGGULK-IHRRRGAJSA-N 0 3 267.417 2.301 10 0 CEAEHN COCCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCCC1 ZINC000246045307 280270889 /nfs/dbraw/zinc/27/08/89/280270889.db2.gz SPRGUODNCDDQOP-LSDHHAIUSA-N 0 3 296.455 2.428 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN([C@@H]2C=CCCC2)C1 ZINC000246215411 280280445 /nfs/dbraw/zinc/28/04/45/280280445.db2.gz CATQJHXFWCETAQ-ZIAGYGMSSA-N 0 3 250.386 2.476 10 0 CEAEHN CCSCC[C@@H](C)NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000246368363 280289435 /nfs/dbraw/zinc/28/94/35/280289435.db2.gz QDACUQPYAZPDMT-CHWSQXEVSA-N 0 3 287.473 2.302 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000247456755 280330142 /nfs/dbraw/zinc/33/01/42/280330142.db2.gz UAGWFZLGBIXSFT-SMDDNHRTSA-N 0 3 286.379 2.021 10 0 CEAEHN CO[C@@H](C)CN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000248445793 280347357 /nfs/dbraw/zinc/34/73/57/280347357.db2.gz WOCFGQAIKAAZJV-RYUDHWBXSA-N 0 3 272.389 2.010 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000262578102 280783906 /nfs/dbraw/zinc/78/39/06/280783906.db2.gz PJEJSJLQACQGLT-RNJOBUHISA-N 0 3 270.417 2.070 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCC23CCCC3)C1 ZINC000336123188 289312609 /nfs/dbraw/zinc/31/26/09/289312609.db2.gz RPPOJLWVZSICOQ-CHWSQXEVSA-N 0 3 265.401 2.055 10 0 CEAEHN Cn1cc([C@@H]2CCCN2CCN2CCCCC2)cn1 ZINC000132276446 294278598 /nfs/dbraw/zinc/27/85/98/294278598.db2.gz JUPUWXHYJWOVPJ-HNNXBMFYSA-N 0 3 262.401 2.043 10 0 CEAEHN NCc1cc(Br)nc(Br)c1 ZINC000095763872 295277201 /nfs/dbraw/zinc/27/72/01/295277201.db2.gz GFMSLHDSQFMSOB-UHFFFAOYSA-N 0 3 265.936 2.065 10 0 CEAEHN Cc1cccc2[nH]cc(CC(=O)N3CC[C@@H](N(C)C)C3)c21 ZINC000171541714 297479617 /nfs/dbraw/zinc/47/96/17/297479617.db2.gz TXZKKJBGUMLDBU-CQSZACIVSA-N 0 3 285.391 2.181 10 0 CEAEHN CSc1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170833919 312665029 /nfs/dbraw/zinc/66/50/29/312665029.db2.gz SAKTXKQAZYXILQ-ZDUSSCGKSA-N 0 3 293.436 2.254 10 0 CEAEHN CCc1ccnc(C(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000179986830 312760840 /nfs/dbraw/zinc/76/08/40/312760840.db2.gz FIPQLYIEBBJRBG-AWEZNQCLSA-N 0 3 277.412 2.350 10 0 CEAEHN CC(C)N[C@@H](CC[N@H+](C)[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000062459702 519734007 /nfs/dbraw/zinc/73/40/07/519734007.db2.gz MDQMMVLHQLPECV-RDBSUJKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)N[C@@H](CC[N@@H+](C)[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000062459702 519734009 /nfs/dbraw/zinc/73/40/09/519734009.db2.gz MDQMMVLHQLPECV-RDBSUJKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN(C)[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000062459702 519734011 /nfs/dbraw/zinc/73/40/11/519734011.db2.gz MDQMMVLHQLPECV-RDBSUJKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)[NH2+][C@@](C)(C[C@H](C)N1CCCCC1)C(=O)[O-] ZINC000068620387 519736330 /nfs/dbraw/zinc/73/63/30/519736330.db2.gz YIKAGFAQDAOBAO-JSGCOSHPSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCC1CCN(CC[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000050905715 519901697 /nfs/dbraw/zinc/90/16/97/519901697.db2.gz DPRQTTYDUUWZNY-MRXNPFEDSA-N 0 3 282.428 2.484 10 0 CEAEHN CCCC1CC[NH+](CC[C@@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000050905715 519901699 /nfs/dbraw/zinc/90/16/99/519901699.db2.gz DPRQTTYDUUWZNY-MRXNPFEDSA-N 0 3 282.428 2.484 10 0 CEAEHN CCC[NH2+][C@@H](CCN1CCCCCCC1)C(=O)[O-] ZINC000062438802 519999492 /nfs/dbraw/zinc/99/94/92/519999492.db2.gz VXQGJVYRLBVSAK-ZDUSSCGKSA-N 0 3 256.390 2.095 10 0 CEAEHN CCCN[C@@](CN(C)[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069096676 520049301 /nfs/dbraw/zinc/04/93/01/520049301.db2.gz VALSNUWSXPLQDK-SWLSCSKDSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCN[C@H](CCN1CCC(C)(C)CC1)C(=O)OC ZINC000062533094 520073807 /nfs/dbraw/zinc/07/38/07/520073807.db2.gz FHFOEZNVZQREPA-CYBMUJFWSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@H](Cc1cccc(Cl)c1)CS(C)(=O)=O ZINC000052789172 520086246 /nfs/dbraw/zinc/08/62/46/520086246.db2.gz IZFSIECCOBVLLC-CYBMUJFWSA-N 0 3 289.828 2.295 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1cccc(C)c1C)C(N)=O ZINC000068655479 520147450 /nfs/dbraw/zinc/14/74/50/520147450.db2.gz NGZZNLWNRSWKET-LRDDRELGSA-N 0 3 278.396 2.314 10 0 CEAEHN CCCCCN(C)Cc1ccnc(C(N)=S)c1 ZINC000068751933 520153351 /nfs/dbraw/zinc/15/33/51/520153351.db2.gz JCCZESVSCBTYFR-UHFFFAOYSA-N 0 3 251.399 2.338 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)N(C)C ZINC000062747003 520177679 /nfs/dbraw/zinc/17/76/79/520177679.db2.gz SGNDISJUHYBQAR-MNOVXSKESA-N 0 3 282.359 2.352 10 0 CEAEHN CCOc1ccc(OCC)c(NC(=O)C(C)(C)NC)c1 ZINC000061300102 521165485 /nfs/dbraw/zinc/16/54/85/521165485.db2.gz STWIUTOZFKVNML-UHFFFAOYSA-N 0 3 280.368 2.421 10 0 CEAEHN CCN(Cc1cc(N)cc2c1OCOC2)CC1CC1 ZINC000069236859 521292403 /nfs/dbraw/zinc/29/24/03/521292403.db2.gz IQHRQBNKYUISQZ-UHFFFAOYSA-N 0 3 262.353 2.367 10 0 CEAEHN CCCc1nc(N2CCC(OC)CC2)sc1CN ZINC000054997119 521531037 /nfs/dbraw/zinc/53/10/37/521531037.db2.gz DDCATHCDYXOENY-UHFFFAOYSA-N 0 3 269.414 2.170 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000049569915 522369899 /nfs/dbraw/zinc/36/98/99/522369899.db2.gz ARCOIMJARHYGOQ-PELKAZGASA-N 0 3 254.305 2.146 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000052395839 522437044 /nfs/dbraw/zinc/43/70/44/522437044.db2.gz UVVHLXZQUQXDDK-NWDGAFQWSA-N 0 3 260.381 2.351 10 0 CEAEHN CN[C@H]1CCN(c2cc(C(F)(F)F)ccc2F)C1=O ZINC000062657146 522502293 /nfs/dbraw/zinc/50/22/93/522502293.db2.gz SXVYKINBVZHOBS-VIFPVBQESA-N 0 3 276.233 2.169 10 0 CEAEHN C/C=C/COc1c(CNCCOC)cccc1OC ZINC000062732388 518517907 /nfs/dbraw/zinc/51/79/07/518517907.db2.gz LJKMKLMZXKJWTE-SNAWJCMRSA-N 0 3 265.353 2.386 10 0 CEAEHN CC(C)(C)NCc1nc(-n2cncn2)ccc1Cl ZINC000051489593 518768167 /nfs/dbraw/zinc/76/81/67/518768167.db2.gz YIFSQLCIEQSUDO-UHFFFAOYSA-N 0 3 265.748 2.204 10 0 CEAEHN O[C@@H](CNc1ccc2ccccc2n1)CN1CCCCC1 ZINC000174684367 534403248 /nfs/dbraw/zinc/40/32/48/534403248.db2.gz CAADNQMEPIHRHM-HNNXBMFYSA-N 0 3 285.391 2.494 10 0 CEAEHN CC(C)(C)n1ccnc(NCCN2CCCCCC2)c1=O ZINC000061764464 519166742 /nfs/dbraw/zinc/16/67/42/519166742.db2.gz IAILNHFRUKWSJG-UHFFFAOYSA-N 0 3 292.427 2.286 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)Nc1ccccc1[C@H](C)O ZINC000049547311 519225437 /nfs/dbraw/zinc/22/54/37/519225437.db2.gz PXKMUQFZQUUPNF-CMPLNLGQSA-N 0 3 250.342 2.052 10 0 CEAEHN CC(C)Cc1ccc([C@@H](N)Cn2ncccc2=O)cc1 ZINC000061402867 519445518 /nfs/dbraw/zinc/44/55/18/519445518.db2.gz QJDZQWHKXINOSH-HNNXBMFYSA-N 0 3 271.364 2.142 10 0 CEAEHN CC(C)CCC[C@H](C)NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049631411 519648128 /nfs/dbraw/zinc/64/81/28/519648128.db2.gz ZAKXJVALUPTTMR-UONOGXRCSA-N 0 3 290.473 2.263 10 0 CEAEHN CC(C)CN(CC(C)C)S(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631250 519713312 /nfs/dbraw/zinc/71/33/12/519713312.db2.gz LGAGZMWDXDDYCA-AWEZNQCLSA-N 0 3 290.473 2.072 10 0 CEAEHN CC(C)NCc1ccc(-n2ccc(C3CC3)n2)nn1 ZINC000052885259 519726778 /nfs/dbraw/zinc/72/67/78/519726778.db2.gz KGLLJRSFDQEVBD-UHFFFAOYSA-N 0 3 257.341 2.038 10 0 CEAEHN CC(C)CN1CCN(c2ccc(F)cc2N)CC1 ZINC000055085589 519728527 /nfs/dbraw/zinc/72/85/27/519728527.db2.gz DMTSURNNECVKSN-UHFFFAOYSA-N 0 3 251.349 2.186 10 0 CEAEHN CC(C)N[C@H](CCSc1nc2ccccc2o1)C(N)=O ZINC000062599956 519738504 /nfs/dbraw/zinc/73/85/04/519738504.db2.gz NPOJTXANGBNIAM-LLVKDONJSA-N 0 3 293.392 2.162 10 0 CEAEHN CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([O-])cc1 ZINC000049560333 519775805 /nfs/dbraw/zinc/77/58/05/519775805.db2.gz VYHDNZGJFRDAQE-ZDUSSCGKSA-N 0 3 264.369 2.098 10 0 CEAEHN CC(C)n1c(=O)[n-]nc1SCCC[NH2+]C(C)(C)C ZINC000061606757 519917997 /nfs/dbraw/zinc/91/79/97/519917997.db2.gz YBXBNOOHTKEZES-UHFFFAOYSA-N 0 3 272.418 2.023 10 0 CEAEHN CCNCCS(=O)(=O)Nc1ccccc1C(C)C ZINC000049640845 519928223 /nfs/dbraw/zinc/92/82/23/519928223.db2.gz PGRLUEPOPCHTAM-UHFFFAOYSA-N 0 3 270.398 2.161 10 0 CEAEHN CCCNCc1ccccc1OCCOCCOC ZINC000052628230 519956385 /nfs/dbraw/zinc/95/63/85/519956385.db2.gz AINABDHPGVIDSR-UHFFFAOYSA-N 0 3 267.369 2.228 10 0 CEAEHN CCCN[C@@H](C)c1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000062365941 519991616 /nfs/dbraw/zinc/99/16/16/519991616.db2.gz FFFRMQHDOGRDGD-VIFPVBQESA-N 0 3 281.381 2.027 10 0 CEAEHN CCNCc1ccc(-n2cc(-c3ccccc3)cn2)nn1 ZINC000054962000 519992460 /nfs/dbraw/zinc/99/24/60/519992460.db2.gz NTRPRQBUAFFCCZ-UHFFFAOYSA-N 0 3 279.347 2.439 10 0 CEAEHN CCNCc1cc(OC)ccc1OC[C@H](O)C(F)(F)F ZINC000068875815 519992946 /nfs/dbraw/zinc/99/29/46/519992946.db2.gz ZWAIMSAVZUQCSC-LBPRGKRZSA-N 0 3 293.285 2.107 10 0 CEAEHN CCNCc1cccc(OC)c1OC[C@H](O)C(F)(F)F ZINC000068876606 520005557 /nfs/dbraw/zinc/00/55/57/520005557.db2.gz XIJAOGJGZZLIBR-NSHDSACASA-N 0 3 293.285 2.107 10 0 CEAEHN CCCN[C@@H](CN1C(=O)[C@@H]2C[C@@H]2C1=O)c1ccc(C)cc1 ZINC000068689348 520009060 /nfs/dbraw/zinc/00/90/60/520009060.db2.gz SJVCSBRNSWMFFL-ZNMIVQPWSA-N 0 3 286.375 2.041 10 0 CEAEHN CCNCc1cnc(N2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000054909101 520015462 /nfs/dbraw/zinc/01/54/62/520015462.db2.gz QSECNCIJFVMSEW-QWHCGFSZSA-N 0 3 281.425 2.400 10 0 CEAEHN CCNCc1coc(Cn2nnc3ccccc32)c1 ZINC000052576661 520017943 /nfs/dbraw/zinc/01/79/43/520017943.db2.gz MCFJTSQSVQQTKR-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CCNCc1oc(CN2CCOC(C)(C)C2)cc1C ZINC000052481945 520026851 /nfs/dbraw/zinc/02/68/51/520026851.db2.gz AFAPQLIYWJLNMO-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCN[C@@](C)(CN(CC)CC1CC1)C(=O)OCC ZINC000069239617 520036431 /nfs/dbraw/zinc/03/64/31/520036431.db2.gz PNTIKLICQZVYDO-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@@](CN(C)CC(C)C)(C(=O)OCC)C1CC1 ZINC000069096600 520046297 /nfs/dbraw/zinc/04/62/97/520046297.db2.gz NLAPAWZDVPCJER-MRXNPFEDSA-N 0 3 284.444 2.286 10 0 CEAEHN CCCN[C@H](c1cc(F)ccc1OC)[C@H]1COCCO1 ZINC000055300670 520088246 /nfs/dbraw/zinc/08/82/46/520088246.db2.gz QJTSALDWMUBGHL-HUUCEWRRSA-N 0 3 283.343 2.290 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1)[C@@H]1COCCO1 ZINC000055300431 520091171 /nfs/dbraw/zinc/09/11/71/520091171.db2.gz XTELAPXCQLWKCD-LSDHHAIUSA-N 0 3 265.353 2.151 10 0 CEAEHN CCCN[C@H]1CCN(c2cnc3ccccc3c2)C1=O ZINC000055142136 520095533 /nfs/dbraw/zinc/09/55/33/520095533.db2.gz BDPWSTGQTJENCB-HNNXBMFYSA-N 0 3 269.348 2.340 10 0 CEAEHN CCCN[C@H]1COc2cc(O[C@@H]3CCC[C@@H]3O)ccc21 ZINC000062805112 520098280 /nfs/dbraw/zinc/09/82/80/520098280.db2.gz ZRMXAJHIDJAGCY-SOUVJXGZSA-N 0 3 277.364 2.412 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1ccccc1C ZINC000052885534 520100401 /nfs/dbraw/zinc/10/04/01/520100401.db2.gz NWPXKIIPBSKNPS-AWEZNQCLSA-N 0 3 261.369 2.013 10 0 CEAEHN CCN[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000049649246 520120481 /nfs/dbraw/zinc/12/04/81/520120481.db2.gz FJTJCGVIKYAITJ-GXFFZTMASA-N 0 3 250.317 2.097 10 0 CEAEHN CCCN[C@](CN1CCCC[C@@H]1C)(C(=O)OC)C1CC1 ZINC000069093703 520120917 /nfs/dbraw/zinc/12/09/17/520120917.db2.gz LNRYFFIEBAXMJM-BBRMVZONSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCN[C@](CO[C@H](C)CC(C)C)(C(N)=O)C1CC1 ZINC000069196496 520124059 /nfs/dbraw/zinc/12/40/59/520124059.db2.gz XGEZOTPPPPUHDD-DOMZBBRYSA-N 0 3 270.417 2.071 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCC(=O)NC1CC1 ZINC000062747087 520178217 /nfs/dbraw/zinc/17/82/17/520178217.db2.gz LIRBUQKRGLKHAM-SNVBAGLBSA-N 0 3 280.343 2.154 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CC(=O)N2)[C@H]1CCCCO1 ZINC000050962133 520209957 /nfs/dbraw/zinc/20/99/57/520209957.db2.gz TZMUTZUQRWOTHJ-GDBMZVCRSA-N 0 3 274.364 2.401 10 0 CEAEHN CCNc1cccc(C(=O)N[C@H](C)CN2CCCCC2)n1 ZINC000051072444 520335438 /nfs/dbraw/zinc/33/54/38/520335438.db2.gz KNVPJOAZKTWVTF-CYBMUJFWSA-N 0 3 290.411 2.118 10 0 CEAEHN CCNc1nc(CCN(CC)CC)nc(C)c1C ZINC000050864204 520357071 /nfs/dbraw/zinc/35/70/71/520357071.db2.gz YCQRLAVGJRNONR-UHFFFAOYSA-N 0 3 250.390 2.410 10 0 CEAEHN CCCOc1ccc(C[C@H](CN)C(=O)N(CC)CC)cc1 ZINC000052919431 520376896 /nfs/dbraw/zinc/37/68/96/520376896.db2.gz KSLIMIRABVHOPV-OAHLLOKOSA-N 0 3 292.423 2.461 10 0 CEAEHN CCCCN(C)C[C@@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069088996 520414574 /nfs/dbraw/zinc/41/45/74/520414574.db2.gz XXLZGNOPLYLVSF-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCOc1cccc([C@@H](N)CC(=O)OCC)c1 ZINC000052920818 520464022 /nfs/dbraw/zinc/46/40/22/520464022.db2.gz BQNJFJQYODRPQB-ZDUSSCGKSA-N 0 3 251.326 2.428 10 0 CEAEHN CCCOc1cccc([C@@H](NC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000052921189 520464754 /nfs/dbraw/zinc/46/47/54/520464754.db2.gz GXNFQLITROTKNJ-DZGCQCFKSA-N 0 3 297.420 2.171 10 0 CEAEHN CCCCN(CC[C@H]([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000062459247 520539483 /nfs/dbraw/zinc/53/94/83/520539483.db2.gz HEVYJAKDVUZLIZ-ZDUSSCGKSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCC[N@H+](CC[C@H](NC(C)C)C(=O)[O-])C1CC1 ZINC000062459247 520539490 /nfs/dbraw/zinc/53/94/90/520539490.db2.gz HEVYJAKDVUZLIZ-ZDUSSCGKSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCC[N@@H+](CC[C@H](NC(C)C)C(=O)[O-])C1CC1 ZINC000062459247 520539496 /nfs/dbraw/zinc/53/94/96/520539496.db2.gz HEVYJAKDVUZLIZ-ZDUSSCGKSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCCNC(=O)COc1ccc2c(c1)OC[C@@H]2NCC ZINC000062804591 520624621 /nfs/dbraw/zinc/62/46/21/520624621.db2.gz NWHNLKKAZYLPHB-AWEZNQCLSA-N 0 3 292.379 2.025 10 0 CEAEHN CCN(CC)CCc1nc(N)cc(C(C)(C)C)n1 ZINC000050845930 520711581 /nfs/dbraw/zinc/71/15/81/520711581.db2.gz SWZGQTUNBMHWQZ-UHFFFAOYSA-N 0 3 250.390 2.241 10 0 CEAEHN CCOC(=O)CC[C@H]([NH3+])Cc1ccc([O-])c(Cl)c1 ZINC000069605907 520714165 /nfs/dbraw/zinc/71/41/65/520714165.db2.gz MJHVKCMUIDWGTD-JTQLQIEISA-N 0 3 271.744 2.259 10 0 CEAEHN CCOC(=O)COc1cc(F)ccc1[C@H](C)NC ZINC000062746433 520800523 /nfs/dbraw/zinc/80/05/23/520800523.db2.gz LAYDUGHNISERCA-VIFPVBQESA-N 0 3 255.289 2.048 10 0 CEAEHN CCN(CC)c1ccc(NC(=O)C(C)(C)NC)cc1 ZINC000061300725 520913612 /nfs/dbraw/zinc/91/36/12/520913612.db2.gz RSWMZRIIZRWENE-UHFFFAOYSA-N 0 3 263.385 2.469 10 0 CEAEHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1cccc(N)c1 ZINC000069236857 520965250 /nfs/dbraw/zinc/96/52/50/520965250.db2.gz ZSIXXLDLAYVKIC-NSHDSACASA-N 0 3 261.369 2.328 10 0 CEAEHN CCN(CCCCC(N)=S)Cc1ccncc1 ZINC000049582807 521000808 /nfs/dbraw/zinc/00/08/08/521000808.db2.gz GOXPGEWWQJPYOB-UHFFFAOYSA-N 0 3 251.399 2.360 10 0 CEAEHN CCN(CCOC)c1nc(C(C)(C)C)c(CN)s1 ZINC000055000718 521140676 /nfs/dbraw/zinc/14/06/76/521140676.db2.gz ZBEFXQYIIZBGLP-UHFFFAOYSA-N 0 3 271.430 2.372 10 0 CEAEHN CCOC(=O)[C@@](CN(C)CCC(C)C)(NC1CC1)C1CC1 ZINC000069183736 521164696 /nfs/dbraw/zinc/16/46/96/521164696.db2.gz SNZYBXXMNQQMQA-KRWDZBQOSA-N 0 3 296.455 2.428 10 0 CEAEHN CCOC(=O)[C@@](CN(C)CC1CCC1)(NC(C)C)C1CC1 ZINC000069231907 521164855 /nfs/dbraw/zinc/16/48/55/521164855.db2.gz CPDFQRWTSBQRKJ-KRWDZBQOSA-N 0 3 296.455 2.428 10 0 CEAEHN CCOC(=O)[C@@](CN1CCC(CC)CC1)(NC)C1CC1 ZINC000069183861 521166599 /nfs/dbraw/zinc/16/65/99/521166599.db2.gz ZZBAIJDNTJFLPJ-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCOc1ccc([C@H](O)CN(C)C)cc1OCC ZINC000062359393 521263868 /nfs/dbraw/zinc/26/38/68/521263868.db2.gz LMVJPZHEHXNMRW-GFCCVEGCSA-N 0 3 253.342 2.079 10 0 CEAEHN CCN(Cc1cc(F)ccc1C(N)=S)C[C@H]1CCCO1 ZINC000069402771 521292531 /nfs/dbraw/zinc/29/25/31/521292531.db2.gz MOTSMVGSCSQBRE-CYBMUJFWSA-N 0 3 296.411 2.461 10 0 CEAEHN CCC(CC)(CO)CN1CCN(CC(C)C)CC1 ZINC000055082264 521445943 /nfs/dbraw/zinc/44/59/43/521445943.db2.gz XOXYDGHDAAAOJD-UHFFFAOYSA-N 0 3 256.434 2.059 10 0 CEAEHN CCCc1ccc(OC[C@@](NCC)(C(N)=O)C2CC2)cc1 ZINC000069198556 521404555 /nfs/dbraw/zinc/40/45/55/521404555.db2.gz MBRCJNFZWNLGBU-KRWDZBQOSA-N 0 3 290.407 2.262 10 0 CEAEHN CCN(c1nc(C)c([C@@H](C)N)s1)[C@@H](C)COC ZINC000054896658 521503425 /nfs/dbraw/zinc/50/34/25/521503425.db2.gz YWUUEPFFXHSZAN-DTWKUNHWSA-N 0 3 257.403 2.332 10 0 CEAEHN CCCN(CC(=O)N(C)C)c1cc(Cl)ccc1CN ZINC000062786952 521531893 /nfs/dbraw/zinc/53/18/93/521531893.db2.gz FBFOSEQQQKTHGY-UHFFFAOYSA-N 0 3 283.803 2.103 10 0 CEAEHN CCOc1ccccc1[C@]([O-])([C@H](C)[NH3+])C(F)(F)F ZINC000062784688 521592027 /nfs/dbraw/zinc/59/20/27/521592027.db2.gz KOZTTWWKRXAVOS-GZMMTYOYSA-N 0 3 263.259 2.182 10 0 CEAEHN CCOc1ncccc1NC(=O)[C@H](CN)c1ccccc1 ZINC000061611732 521625379 /nfs/dbraw/zinc/62/53/79/521625379.db2.gz NKFYCFIUDHVDJD-CYBMUJFWSA-N 0 3 285.347 2.161 10 0 CEAEHN CCN1CCC[C@@H](Nc2cc(Cl)nc(C)n2)C1 ZINC000052836723 521625452 /nfs/dbraw/zinc/62/54/52/521625452.db2.gz QGBHESGORVHEAS-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN CCCN1C(=O)C[C@@H](N)[C@H]1c1ccc(F)c(C)c1 ZINC000070293467 521699877 /nfs/dbraw/zinc/69/98/77/521699877.db2.gz UJMZCQBAIBHEGM-TZMCWYRMSA-N 0 3 250.317 2.145 10 0 CEAEHN CCc1cccc(OC[C@@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069196629 521778907 /nfs/dbraw/zinc/77/89/07/521778907.db2.gz WYRXKGZBJRKCPN-KRWDZBQOSA-N 0 3 290.407 2.260 10 0 CEAEHN CC[C@@H](C)N[C@H](C(N)=O)c1cccc2cccnc21 ZINC000069503191 522233620 /nfs/dbraw/zinc/23/36/20/522233620.db2.gz PSQJQSCWTLLARY-YGRLFVJLSA-N 0 3 257.337 2.149 10 0 CEAEHN CC[C@@H](C)Oc1cccc(NC(=O)[C@@H](N)CCOC)c1 ZINC000052810466 522269742 /nfs/dbraw/zinc/26/97/42/522269742.db2.gz MGXSEVWGJJSAEK-RISCZKNCSA-N 0 3 280.368 2.166 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCCC2)[C@H]1COCCO1 ZINC000055299250 522372370 /nfs/dbraw/zinc/37/23/70/522372370.db2.gz FNFNBYJBUZXFPI-CVEARBPZSA-N 0 3 261.365 2.241 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000068652523 522416528 /nfs/dbraw/zinc/41/65/28/522416528.db2.gz BXKIQXYCJSGEQG-PXAZEXFGSA-N 0 3 290.407 2.186 10 0 CEAEHN CN[C@@](COc1ccc(C(C)C)c(C)c1)(C(N)=O)C1CC1 ZINC000069197208 522430945 /nfs/dbraw/zinc/43/09/45/522430945.db2.gz XIEHLFATGYEIIG-QGZVFWFLSA-N 0 3 290.407 2.351 10 0 CEAEHN CN[C@@](CSCc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069189849 522433651 /nfs/dbraw/zinc/43/36/51/522433651.db2.gz OKOBNBOJLOQYNC-OAHLLOKOSA-N 0 3 278.421 2.082 10 0 CEAEHN CN[C@H](CN1CCN(C)C1=O)c1ccc(C(C)C)cc1 ZINC000052885597 522466494 /nfs/dbraw/zinc/46/64/94/522466494.db2.gz YVYOAXBVAJSVSR-OAHLLOKOSA-N 0 3 275.396 2.438 10 0 CEAEHN CN[C@H](c1ccc(OC(C)C)cc1)[C@H]1COCCO1 ZINC000055299627 522479645 /nfs/dbraw/zinc/47/96/45/522479645.db2.gz HWHKEQHHFPNUEI-HUUCEWRRSA-N 0 3 265.353 2.150 10 0 CEAEHN COc1cc(CN[C@H]2CCC[C@@H]2OC)cc2c1OCCO2 ZINC000049949093 522486787 /nfs/dbraw/zinc/48/67/87/522486787.db2.gz JKTKNPSSKSZDAW-STQMWFEESA-N 0 3 293.363 2.124 10 0 CEAEHN CN[C@H]1COc2cc(OCc3ncc(Cl)n3C)ccc21 ZINC000062804206 522507695 /nfs/dbraw/zinc/50/76/95/522507695.db2.gz QVOOXOSRWUDXQZ-NSHDSACASA-N 0 3 293.754 2.305 10 0 CEAEHN COC[C@H](C)N(C)c1nc2ccccc2cc1CN ZINC000049030771 522599015 /nfs/dbraw/zinc/59/90/15/522599015.db2.gz HSXIDUZYLHNPON-NSHDSACASA-N 0 3 259.353 2.165 10 0 CEAEHN COC1CCN([C@H](CN)c2ccc(F)c(C)c2)CC1 ZINC000050546029 522708365 /nfs/dbraw/zinc/70/83/65/522708365.db2.gz UBPDOFQMPPJRHS-OAHLLOKOSA-N 0 3 266.360 2.245 10 0 CEAEHN CCc1nnc(CN[C@H](Cc2ccccc2)C2CC2)n1C ZINC000183395448 522746617 /nfs/dbraw/zinc/74/66/17/522746617.db2.gz IDRWHIURRVTZCN-OAHLLOKOSA-N 0 3 284.407 2.488 10 0 CEAEHN CC[C@H](Oc1ccc2c(c1)OC(C)(C)C[C@H]2NC)C(N)=O ZINC000061676012 522876826 /nfs/dbraw/zinc/87/68/26/522876826.db2.gz XEXPYFPCFRCOQA-OLZOCXBDSA-N 0 3 292.379 2.151 10 0 CEAEHN CN(C[C@@H]1CCCO1)[C@@H](CN)c1cccc2cccnc21 ZINC000069502612 523054888 /nfs/dbraw/zinc/05/48/88/523054888.db2.gz ZSJXIKWOSIVUJM-HOCLYGCPSA-N 0 3 285.391 2.345 10 0 CEAEHN CCn1cc(CN2CCN[C@@](C)(c3ccccc3)C2)cn1 ZINC000068693782 523376600 /nfs/dbraw/zinc/37/66/00/523376600.db2.gz IMGQRHAYSWRJQQ-QGZVFWFLSA-N 0 3 284.407 2.224 10 0 CEAEHN CC[C@@H]1CN(c2c(CNC(C)(C)C)c(C)nn2C)CCO1 ZINC000062735895 523469577 /nfs/dbraw/zinc/46/95/77/523469577.db2.gz OKUUYUPXEJLYHL-CYBMUJFWSA-N 0 3 294.443 2.232 10 0 CEAEHN CCn1nccc1[C@@H](Cc1ccc(OC)c(OC)c1)NC ZINC000069471298 523744904 /nfs/dbraw/zinc/74/49/04/523744904.db2.gz AIRLBAYHVJCTHK-CYBMUJFWSA-N 0 3 289.379 2.423 10 0 CEAEHN CCn1nccc1[C@H](Cc1nc(C)cs1)NC ZINC000069472218 523745966 /nfs/dbraw/zinc/74/59/66/523745966.db2.gz PQHYYMDCDRGLDR-JTQLQIEISA-N 0 3 250.371 2.171 10 0 CEAEHN COC(=O)[C@@](CN(C)CCC(C)C)(NC1CC1)C1CC1 ZINC000069183699 523822548 /nfs/dbraw/zinc/82/25/48/523822548.db2.gz ZIHLGAXZMUDPBF-INIZCTEOSA-N 0 3 282.428 2.038 10 0 CEAEHN CN1CCC[C@H](Nc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788159 523844483 /nfs/dbraw/zinc/84/44/83/523844483.db2.gz OJRKOJVHKAFDDV-JTQLQIEISA-N 0 3 283.828 2.480 10 0 CEAEHN CC[C@H](C)CNS(=O)(=O)c1cccc([C@H](C)NC)c1 ZINC000054489149 523886285 /nfs/dbraw/zinc/88/62/85/523886285.db2.gz BCDCJVRQPGJHOP-RYUDHWBXSA-N 0 3 284.425 2.291 10 0 CEAEHN COC(=O)[C@H](CCN1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000062443600 523900204 /nfs/dbraw/zinc/90/02/04/523900204.db2.gz SXRYOVSBCIRWSG-MJBXVCDLSA-N 0 3 270.417 2.179 10 0 CEAEHN COCCNC[C@@](C)(O)c1ccc2ccccc2c1 ZINC000055033613 523942565 /nfs/dbraw/zinc/94/25/65/523942565.db2.gz LGJPEXGEJUVEKT-MRXNPFEDSA-N 0 3 259.349 2.283 10 0 CEAEHN COCCNCc1ccc(-n2ccnc2C)c(C)c1 ZINC000062738613 523952149 /nfs/dbraw/zinc/95/21/49/523952149.db2.gz RUWODOJRKDXHAH-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN COCCNCc1cccc(OCc2ccncc2)c1 ZINC000062731588 523954474 /nfs/dbraw/zinc/95/44/74/523954474.db2.gz NVKGLABLOGGSSD-UHFFFAOYSA-N 0 3 272.348 2.397 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@@](C)(CO)c2ccccc2)CC1 ZINC000055072914 523955288 /nfs/dbraw/zinc/95/52/88/523955288.db2.gz ZPHWGPSYJJHVCZ-WMZOPIPTSA-N 0 3 290.451 2.353 10 0 CEAEHN COCCNCc1cnc(-c2cc(F)cc(F)c2)nc1 ZINC000054856873 523955505 /nfs/dbraw/zinc/95/55/05/523955505.db2.gz CZCAXNPPGODLGN-UHFFFAOYSA-N 0 3 279.290 2.158 10 0 CEAEHN COCCNCc1cnc(Cc2cc(C)cc(C)c2)nc1 ZINC000054856852 523956501 /nfs/dbraw/zinc/95/65/01/523956501.db2.gz NSOMPKJYUBHISH-UHFFFAOYSA-N 0 3 285.391 2.420 10 0 CEAEHN COCCNCc1cnc(-c2ccc(F)c(F)c2)nc1 ZINC000054856742 523956912 /nfs/dbraw/zinc/95/69/12/523956912.db2.gz PJHQHSNMOCUGRN-UHFFFAOYSA-N 0 3 279.290 2.158 10 0 CEAEHN CC[C@H](C)NC(=O)CN[C@@H]1CCc2ccccc2C1 ZINC000049899695 523973048 /nfs/dbraw/zinc/97/30/48/523973048.db2.gz FFIGTRCQHSHXQQ-SWLSCSKDSA-N 0 3 260.381 2.048 10 0 CEAEHN CC[C@H](C)NC(=O)NC[C@H](c1ccc(OC)cc1)N(C)C ZINC000062352461 523979071 /nfs/dbraw/zinc/97/90/71/523979071.db2.gz IWWMFOIZKGZXMT-SWLSCSKDSA-N 0 3 293.411 2.396 10 0 CEAEHN COC(=O)[C@](CN1CCC[C@@H](C)C1)(NC(C)C)C1CC1 ZINC000069094903 524004420 /nfs/dbraw/zinc/00/44/20/524004420.db2.gz UPLKCJHWWGOGGX-CZUORRHYSA-N 0 3 282.428 2.038 10 0 CEAEHN CCc1ccc([C@H](CN)N2CCN([C@@H](C)CC)CC2)o1 ZINC000055064342 524048046 /nfs/dbraw/zinc/04/80/46/524048046.db2.gz YFAGYFKYJUKQLV-ZFWWWQNUSA-N 0 3 279.428 2.258 10 0 CEAEHN COc1ccc(CN[C@@H]2C[C@@H]2C)c(OC)c1OC ZINC000052269484 524086209 /nfs/dbraw/zinc/08/62/09/524086209.db2.gz GPOLHSYXBHZSRR-GXSJLCMTSA-N 0 3 251.326 2.210 10 0 CEAEHN COc1ccc(Cc2ncc(CNC3CC3)cn2)cc1 ZINC000054856320 524166892 /nfs/dbraw/zinc/16/68/92/524166892.db2.gz KWDCJXBRIHPREJ-UHFFFAOYSA-N 0 3 269.348 2.328 10 0 CEAEHN COc1ccc(Cc2ncc([C@H](C)N)c(C)n2)cc1 ZINC000054962645 524167132 /nfs/dbraw/zinc/16/71/32/524167132.db2.gz GSYDCRBGWJDPAX-JTQLQIEISA-N 0 3 257.337 2.404 10 0 CEAEHN Cc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000155751403 524213295 /nfs/dbraw/zinc/21/32/95/524213295.db2.gz JWUFMCXVSRCZLB-ZFWWWQNUSA-N 0 3 260.381 2.454 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)N1Cc1ccnc(C(N)=S)c1 ZINC000068751813 524278063 /nfs/dbraw/zinc/27/80/63/524278063.db2.gz DLEFGKRTPPAXCX-GHMZBOCLSA-N 0 3 263.410 2.479 10 0 CEAEHN C[C@H](CN1[C@@H]2CCC[C@H]1CC(=O)C2)N1CCCCC1 ZINC000054601226 524365605 /nfs/dbraw/zinc/36/56/05/524365605.db2.gz CCRDSZLJSXCTDN-KFWWJZLASA-N 0 3 264.413 2.447 10 0 CEAEHN Cc1ccc(CN)c(Sc2nnc3ccccn32)n1 ZINC000061407142 524424869 /nfs/dbraw/zinc/42/48/69/524424869.db2.gz PTJRALZQQAUNNE-UHFFFAOYSA-N 0 3 271.349 2.043 10 0 CEAEHN COc1ccc(NC(=O)CNC[C@H](C)CSC)cc1 ZINC000069447973 524497585 /nfs/dbraw/zinc/49/75/85/524497585.db2.gz HYVKWAQYDOFJPB-NSHDSACASA-N 0 3 282.409 2.222 10 0 CEAEHN COc1ccccc1C[C@H](C)NCc1cncnc1 ZINC000054767965 524511038 /nfs/dbraw/zinc/51/10/38/524511038.db2.gz IZLLXBOEWQSABS-LBPRGKRZSA-N 0 3 257.337 2.206 10 0 CEAEHN C[C@@H](CN1CCCCC1)NCC(=O)Nc1ccccc1 ZINC000049501819 524604460 /nfs/dbraw/zinc/60/44/60/524604460.db2.gz PAUNNMFNZZLFRP-AWEZNQCLSA-N 0 3 275.396 2.089 10 0 CEAEHN C[C@H]1CN(c2ccc(Cl)cc2CN)C[C@H](C)O1 ZINC000052856520 524668233 /nfs/dbraw/zinc/66/82/33/524668233.db2.gz ROWKUURINAWLPT-UWVGGRQHSA-N 0 3 254.761 2.412 10 0 CEAEHN C[C@H](Cc1c(F)cccc1F)NCc1cncnc1 ZINC000054767952 524687460 /nfs/dbraw/zinc/68/74/60/524687460.db2.gz BADGIEKCKBWDPA-SNVBAGLBSA-N 0 3 263.291 2.476 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)C(C)(C)c1ccccc1 ZINC000069133371 524695971 /nfs/dbraw/zinc/69/59/71/524695971.db2.gz VWXSCBFGEFUSEC-STQMWFEESA-N 0 3 260.381 2.173 10 0 CEAEHN Cc1cccc(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000068656217 524783743 /nfs/dbraw/zinc/78/37/43/524783743.db2.gz YRWCCWBEURXZJR-MLGOLLRUSA-N 0 3 276.380 2.148 10 0 CEAEHN C[C@H]([NH3+])[C@@]([O-])(c1cnc2ccccc2c1)C(F)(F)F ZINC000062784199 524848045 /nfs/dbraw/zinc/84/80/45/524848045.db2.gz QKDDWJIFYXKEIC-QPUJVOFHSA-N 0 3 270.254 2.332 10 0 CEAEHN Cc1ccc(N(C)C[C@](NC(C)C)(C(N)=O)C2CC2)cc1 ZINC000069231435 524887510 /nfs/dbraw/zinc/88/75/10/524887510.db2.gz MXVFURWXJTVDEV-QGZVFWFLSA-N 0 3 289.423 2.063 10 0 CEAEHN COc1ccc(OC)c([C@@H](O)[C@H](N)c2ccccc2)c1 ZINC000054681791 524889704 /nfs/dbraw/zinc/88/97/04/524889704.db2.gz JTHMFMOJIWBYNS-HZPDHXFCSA-N 0 3 273.332 2.437 10 0 CEAEHN C[C@@H]([NH3+])[C@@]([O-])(c1cnc2ccccc2c1)C(F)(F)F ZINC000062784200 525014892 /nfs/dbraw/zinc/01/48/92/525014892.db2.gz QKDDWJIFYXKEIC-PRHODGIISA-N 0 3 270.254 2.332 10 0 CEAEHN COc1ncccc1[C@@H](N)c1ccc2c(c1)CCO2 ZINC000061443273 525077049 /nfs/dbraw/zinc/07/70/49/525077049.db2.gz ZQIXJTULUISOMS-AWEZNQCLSA-N 0 3 256.305 2.073 10 0 CEAEHN Cc1ccccc1CN(C)Cc1cccnc1C(=N)N ZINC000061658098 525127613 /nfs/dbraw/zinc/12/76/13/525127613.db2.gz XJHIHOUANMOIAT-UHFFFAOYSA-N 0 3 268.364 2.306 10 0 CEAEHN C[C@H](NC(=O)[C@H](CN)c1ccccc1)c1ccncc1 ZINC000061611309 525166431 /nfs/dbraw/zinc/16/64/31/525166431.db2.gz RMKYDVWCQUDBST-SWLSCSKDSA-N 0 3 269.348 2.001 10 0 CEAEHN Cc1ccc(NC(=O)c2ccnc(NN)c2)cc1F ZINC000051096731 525249714 /nfs/dbraw/zinc/24/97/14/525249714.db2.gz QFXBXQBIZQKRDA-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN Cc1ccc(NC(=O)c2cc[nH]c(=NN)c2)cc1F ZINC000051096731 525249718 /nfs/dbraw/zinc/24/97/18/525249718.db2.gz QFXBXQBIZQKRDA-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN COc1ccc([C@@H]2[C@@H](N)CC(=O)N2C(C)(C)C)c(OC)c1 ZINC000070294077 525272686 /nfs/dbraw/zinc/27/26/86/525272686.db2.gz DUZQUOWVBOFPKO-SWLSCSKDSA-N 0 3 292.379 2.103 10 0 CEAEHN Cc1cc(O[C@@H](C)C[C@@](C)(N)C(N)=O)ccc1C(C)C ZINC000068655758 525381213 /nfs/dbraw/zinc/38/12/13/525381213.db2.gz JGSLJRQPASBPGK-BLLLJJGKSA-N 0 3 278.396 2.479 10 0 CEAEHN Cc1ccn(-c2nc3sccn3c2CNC2CC2)n1 ZINC000052884775 525568326 /nfs/dbraw/zinc/56/83/26/525568326.db2.gz VGJUNPWSNWJLJN-UHFFFAOYSA-N 0 3 273.365 2.142 10 0 CEAEHN Cc1ccc(SC[C@](NC2CC2)(C(N)=O)C2CC2)cc1 ZINC000069186127 525662553 /nfs/dbraw/zinc/66/25/53/525662553.db2.gz NBUKQBGTEVYJOV-MRXNPFEDSA-N 0 3 290.432 2.473 10 0 CEAEHN Cc1ccc([C@H](CN)N(C)Cc2nccn2C)c(C)c1 ZINC000062249837 525952550 /nfs/dbraw/zinc/95/25/50/525952550.db2.gz YKLKPUDNNBYZAP-HNNXBMFYSA-N 0 3 272.396 2.169 10 0 CEAEHN COc1cccc(NC(=O)CNC[C@@H](C)CSC)c1 ZINC000069447437 526176016 /nfs/dbraw/zinc/17/60/16/526176016.db2.gz SYDIYBZGXLCTHR-LLVKDONJSA-N 0 3 282.409 2.222 10 0 CEAEHN COc1cccc(O[C@@H](C)C[C@](C)(NC(C)C)C(N)=O)c1 ZINC000068655594 526239224 /nfs/dbraw/zinc/23/92/24/526239224.db2.gz LMXFFIPUQPCVLD-LRDDRELGSA-N 0 3 294.395 2.095 10 0 CEAEHN COc1cccc(SCC[C@H](NC(C)C)C(N)=O)c1 ZINC000062598590 526245768 /nfs/dbraw/zinc/24/57/68/526245768.db2.gz QOKLSSJZQQVETJ-ZDUSSCGKSA-N 0 3 282.409 2.029 10 0 CEAEHN Cc1nn(Cc2occc2CN)c(C)c1Br ZINC000052573613 526299851 /nfs/dbraw/zinc/29/98/51/526299851.db2.gz WLVVBIKYQTZKDX-UHFFFAOYSA-N 0 3 284.157 2.362 10 0 CEAEHN Cc1nnc(COc2cc(F)ccc2[C@H](C)N)o1 ZINC000062745355 526347322 /nfs/dbraw/zinc/34/73/22/526347322.db2.gz GFNLDFZBNBSPGI-ZETCQYMHSA-N 0 3 251.261 2.116 10 0 CEAEHN Cc1csc(Cc2ncc(CNC3CC3)cn2)n1 ZINC000055269961 526369096 /nfs/dbraw/zinc/36/90/96/526369096.db2.gz LFKAWVLIATXHLP-UHFFFAOYSA-N 0 3 260.366 2.084 10 0 CEAEHN c1cc(CN2CCC3(COC3)CC2)cc2c1OCO2 ZINC000049111175 526422204 /nfs/dbraw/zinc/42/22/04/526422204.db2.gz JJCFZHYMXKPBRY-UHFFFAOYSA-N 0 3 261.321 2.028 10 0 CEAEHN c1ccc([C@@H]2CN(Cc3ccncc3)CCN2)cc1 ZINC000068693585 526492782 /nfs/dbraw/zinc/49/27/82/526492782.db2.gz PGRMTQPRAVDVKA-INIZCTEOSA-N 0 3 253.349 2.228 10 0 CEAEHN c1nc(N2CCO[C@H]3CCC[C@@H]32)sc1CNC1CC1 ZINC000054907057 526602214 /nfs/dbraw/zinc/60/22/14/526602214.db2.gz BLIYGAKMIPGVBZ-STQMWFEESA-N 0 3 279.409 2.153 10 0 CEAEHN Cc1oc(CN2CCOC[C@H]2C)cc1CNC(C)C ZINC000052475810 526771103 /nfs/dbraw/zinc/77/11/03/526771103.db2.gz SWAPBIFGBOJVAO-GFCCVEGCSA-N 0 3 266.385 2.307 10 0 CEAEHN N=C(N)c1ncccc1COc1cc(F)cc(F)c1 ZINC000061658886 526825628 /nfs/dbraw/zinc/82/56/28/526825628.db2.gz DMTHVUXBKIFKAX-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN O=C(CN[C@@H]1CCCc2sccc21)N1CCCC1 ZINC000061362584 526889226 /nfs/dbraw/zinc/88/92/26/526889226.db2.gz MBQUFUHQNUTWQL-GFCCVEGCSA-N 0 3 264.394 2.338 10 0 CEAEHN Cc1nc(N2CCC[C@@H]2CN(C)C)sc1[C@@H](C)O ZINC000061655531 526966144 /nfs/dbraw/zinc/96/61/44/526966144.db2.gz QVOGOMBJMZLFKR-GHMZBOCLSA-N 0 3 269.414 2.035 10 0 CEAEHN Cc1nc(N2CCO[C@H]3CCCC[C@@H]32)sc1CN ZINC000055001786 526972674 /nfs/dbraw/zinc/97/26/74/526972674.db2.gz QSOJLZNTWIKPIY-QWRGUYRKSA-N 0 3 267.398 2.058 10 0 CEAEHN Cc1nc(N2C[C@@H](C)OC(C)(C)C2)sc1[C@@H](C)N ZINC000054897634 526973698 /nfs/dbraw/zinc/97/36/98/526973698.db2.gz SZYCKBCFTTUKRY-RKDXNWHRSA-N 0 3 269.414 2.475 10 0 CEAEHN Cc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1CNC1CC1 ZINC000054995462 526973842 /nfs/dbraw/zinc/97/38/42/526973842.db2.gz HNQHPGCVONJHEX-UWVGGRQHSA-N 0 3 281.425 2.317 10 0 CEAEHN NC(=O)[C@](N)(CSc1ccc(Cl)cc1)C1CC1 ZINC000069185453 527016522 /nfs/dbraw/zinc/01/65/22/527016522.db2.gz FJKGOWVIAQKJSG-LBPRGKRZSA-N 0 3 270.785 2.025 10 0 CEAEHN NC[C@@H](NC(=O)CC[C@H]1CCCCO1)c1ccccc1 ZINC000069405601 527203849 /nfs/dbraw/zinc/20/38/49/527203849.db2.gz CQWQUWKPAOKBSE-HUUCEWRRSA-N 0 3 276.380 2.152 10 0 CEAEHN NC[C@@H](Oc1cc(F)cc(F)c1)c1cccnc1 ZINC000054932442 527205795 /nfs/dbraw/zinc/20/57/95/527205795.db2.gz AEPPRWRZSVHEIC-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN NCc1c(N2Cc3ccccc3C2)nc2sccn12 ZINC000050911780 527242844 /nfs/dbraw/zinc/24/28/44/527242844.db2.gz STAFJSCXHOFWQE-UHFFFAOYSA-N 0 3 270.361 2.375 10 0 CEAEHN NCc1cc(CN2CCc3sccc3C2)ccn1 ZINC000068749532 527248086 /nfs/dbraw/zinc/24/80/86/527248086.db2.gz LZRXTBKWGGQEBR-UHFFFAOYSA-N 0 3 259.378 2.160 10 0 CEAEHN NCc1cc(Cl)ccc1N1CCCC[C@H]1CO ZINC000052856993 527248573 /nfs/dbraw/zinc/24/85/73/527248573.db2.gz AIURULJEKPPUEY-LBPRGKRZSA-N 0 3 254.761 2.150 10 0 CEAEHN NCc1ncccc1COc1ccc2c(c1)CCC(=O)N2 ZINC000061657190 527266674 /nfs/dbraw/zinc/26/66/74/527266674.db2.gz VYIXWSDWSTULEF-UHFFFAOYSA-N 0 3 283.331 2.004 10 0 CEAEHN N[C@@H](Cc1ccc(O)cc1)c1nc(-c2cccs2)n[nH]1 ZINC000054700174 527336853 /nfs/dbraw/zinc/33/68/53/527336853.db2.gz DUHLXTQSOUMYGS-NSHDSACASA-N 0 3 286.360 2.481 10 0 CEAEHN N[C@@H](c1ccccc1)[C@H](O)c1ccc2c(c1)CCO2 ZINC000054681990 527339565 /nfs/dbraw/zinc/33/95/65/527339565.db2.gz MVPKUYUFMCYWBS-JKSUJKDBSA-N 0 3 255.317 2.355 10 0 CEAEHN Nc1ccc(=O)n(CCN2CCC3(CCCCC3)CC2)c1 ZINC000061817987 527466385 /nfs/dbraw/zinc/46/63/85/527466385.db2.gz ZZGUIUMKWYOUNM-UHFFFAOYSA-N 0 3 289.423 2.477 10 0 CEAEHN Nc1ccccc1CN(CCO)Cc1ccccc1 ZINC000050513807 527527515 /nfs/dbraw/zinc/52/75/15/527527515.db2.gz PYZVEIJJWSGRIY-UHFFFAOYSA-N 0 3 256.349 2.263 10 0 CEAEHN OCCn1cc(CN[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000068691067 527576291 /nfs/dbraw/zinc/57/62/91/527576291.db2.gz XPCSPBURWFMRCK-RYUDHWBXSA-N 0 3 291.317 2.086 10 0 CEAEHN Cc1nn(C)c(N2CCCCC2)c1CNCC(C)C ZINC000062734686 527676015 /nfs/dbraw/zinc/67/60/15/527676015.db2.gz OTBDXDWGLIZXTH-UHFFFAOYSA-N 0 3 264.417 2.464 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1ccc(OC)c(O)c1)N(C)C ZINC000154719173 527969383 /nfs/dbraw/zinc/96/93/83/527969383.db2.gz XTGBVPPBTSVVKT-CYBMUJFWSA-N 0 3 294.395 2.090 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC1(CC)CC1 ZINC000176601562 529063682 /nfs/dbraw/zinc/06/36/82/529063682.db2.gz VIIQYIVFPARJHT-CYBMUJFWSA-N 0 3 267.417 2.302 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nc(C(C)(C)C)no1 ZINC000175360006 529068637 /nfs/dbraw/zinc/06/86/37/529068637.db2.gz LMYOSCMZCKVHGQ-GFCCVEGCSA-N 0 3 280.416 2.283 10 0 CEAEHN CCN[C@H](C)c1c(F)cccc1N1CCNC(=O)[C@@H]1CC ZINC000110680302 535516690 /nfs/dbraw/zinc/51/66/90/535516690.db2.gz WDDKEPOBQXVZRG-YPMHNXCESA-N 0 3 293.386 2.211 10 0 CEAEHN CCN[C@H]1CCCN(c2c(F)cc(F)cc2F)C1=O ZINC000088724120 535516761 /nfs/dbraw/zinc/51/67/61/535516761.db2.gz VDSSRLQCKRKWJM-NSHDSACASA-N 0 3 272.270 2.209 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000262592809 535677919 /nfs/dbraw/zinc/67/79/19/535677919.db2.gz VIHNFRRRZXWNLJ-DDTOSNHZSA-N 0 3 282.359 2.145 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000123454973 536003980 /nfs/dbraw/zinc/00/39/80/536003980.db2.gz JQTDOVKSIZYGGO-CQSZACIVSA-N 0 3 283.803 2.018 10 0 CEAEHN C[C@H]([C@H](C)O)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757136015 574510100 /nfs/dbraw/zinc/51/01/00/574510100.db2.gz XYBHCVUAVYFMHS-MNOVXSKESA-N 0 3 295.383 2.051 10 0 CEAEHN CC(C)[C@H]1O[C@]2(CN3CCC2CC3)NCC1(C)C ZINC000757143251 574510259 /nfs/dbraw/zinc/51/02/59/574510259.db2.gz MKWJVAXFVNOIMF-HIFRSBDPSA-N 0 3 252.402 2.079 10 0 CEAEHN COC[C@@H](C)NCCOc1ccc(F)cc1Cl ZINC000053586282 574577319 /nfs/dbraw/zinc/57/73/19/574577319.db2.gz WCVMAZCUARWIPK-SECBINFHSA-N 0 3 261.724 2.482 10 0 CEAEHN CC(=O)[C@H]1CCCN(CCc2scnc2C)C1 ZINC000111689956 624522551 /nfs/dbraw/zinc/52/25/51/624522551.db2.gz CFBHAYAUBLVDRL-LBPRGKRZSA-N 0 3 252.383 2.295 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2cc(F)c(F)cc2F)C1 ZINC000225262937 627324263 /nfs/dbraw/zinc/32/42/63/627324263.db2.gz LOCGFHDKNULJMA-ZJUUUORDSA-N 0 3 259.271 2.497 10 0 CEAEHN CC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@H](C)C1 ZINC000309832225 627951435 /nfs/dbraw/zinc/95/14/35/627951435.db2.gz YVVUKEUDBLEJEU-GSYVFDJQSA-N 0 3 265.184 2.152 10 0 CEAEHN CCC[C@H](N)C(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000236839214 628909659 /nfs/dbraw/zinc/90/96/59/628909659.db2.gz GUVQBJRJCNZWIU-JTQLQIEISA-N 0 3 269.414 2.239 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2ccc(F)cc2C1 ZINC000236957715 629132632 /nfs/dbraw/zinc/13/26/32/629132632.db2.gz PSPGUPABZWYGAX-QMTHXVAHSA-N 0 3 264.344 2.084 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000237018110 629152615 /nfs/dbraw/zinc/15/26/15/629152615.db2.gz SAQUEOCUPKGHBH-NOZJJQNGSA-N 0 3 290.367 2.206 10 0 CEAEHN N[C@H](CC1CCCCC1)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000261768328 629188661 /nfs/dbraw/zinc/18/86/61/629188661.db2.gz VRDXZOJSKKDRPH-BZUAXINKSA-N 0 3 294.439 2.454 10 0 CEAEHN C[C@@H](O)CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067649076 631659859 /nfs/dbraw/zinc/65/98/59/631659859.db2.gz FGYUGNGCPAXKEG-SNVBAGLBSA-N 0 3 291.782 2.469 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC000152518457 640258187 /nfs/dbraw/zinc/25/81/87/640258187.db2.gz SIEKUMPOFSGMCQ-PRHODGIISA-N 0 3 297.786 2.012 10 0 CEAEHN CNC(=O)NC(=O)CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154385051 640880483 /nfs/dbraw/zinc/88/04/83/640880483.db2.gz XQZKPPTXPPMGGD-NSHDSACASA-N 0 3 291.395 2.090 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Cc2sc(=S)[nH]c2C)C1 ZINC000194642613 641912552 /nfs/dbraw/zinc/91/25/52/641912552.db2.gz BWIRQTGZXZDALU-SNVBAGLBSA-N 0 3 299.465 2.257 10 0 CEAEHN CC1(C)CC[C@H](N)[C@H](S(=O)(=O)C2CCCC2)C1 ZINC000081989390 177914582 /nfs/dbraw/zinc/91/45/82/177914582.db2.gz MWTDTBUHJBSZRZ-NWDGAFQWSA-N 0 3 259.415 2.250 10 0 CEAEHN CO[C@@H]1COC[C@@H]1N1CCSC2(CCCCC2)C1 ZINC000336199743 365525497 /nfs/dbraw/zinc/52/54/97/365525497.db2.gz QSJCMSZUNQATMS-QWHCGFSZSA-N 0 3 271.426 2.152 10 0 CEAEHN Cc1cc(NC(=O)CN[C@@H](C)c2ccccc2C)n(C)n1 ZINC000121322314 365552792 /nfs/dbraw/zinc/55/27/92/365552792.db2.gz MVYCSGKBYKLEFH-ZDUSSCGKSA-N 0 3 286.379 2.326 10 0 CEAEHN O=S1(=O)CC(CCN2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000336427311 365574948 /nfs/dbraw/zinc/57/49/48/365574948.db2.gz NICCKRNERAYEEO-UONOGXRCSA-N 0 3 271.426 2.076 10 0 CEAEHN Cn1cc([C@@H](N)c2cccc(Br)c2)cn1 ZINC000034957617 361800393 /nfs/dbraw/zinc/80/03/93/361800393.db2.gz HDCLLWGDKBAENC-NSHDSACASA-N 0 3 266.142 2.231 10 0 CEAEHN Cc1nc(COC[C@@H]2CCC[C@]23CNCCO3)cs1 ZINC000096063543 185084246 /nfs/dbraw/zinc/08/42/46/185084246.db2.gz NTPRQGJZDGNRAN-JSGCOSHPSA-N 0 3 282.409 2.127 10 0 CEAEHN CCCCO[C@@H]1C[C@H](NC(=O)[C@H](N)CCC)C1(C)C ZINC000121787997 365615493 /nfs/dbraw/zinc/61/54/93/365615493.db2.gz XTPGERIELNYMSV-FRRDWIJNSA-N 0 3 270.417 2.214 10 0 CEAEHN CC(C)CCN(C[C@@](N)(CO)c1ccccc1)C1CC1 ZINC000096836926 185115817 /nfs/dbraw/zinc/11/58/17/185115817.db2.gz XNXBSJJQGVUHFP-QGZVFWFLSA-N 0 3 276.424 2.343 10 0 CEAEHN C[C@@H](NCC(=O)Nc1c(F)cccc1F)[C@@H]1CCCO1 ZINC000036823871 361861284 /nfs/dbraw/zinc/86/12/84/361861284.db2.gz CVXGIRHRUJWJGW-SKDRFNHKSA-N 0 3 284.306 2.060 10 0 CEAEHN C[C@@H]1C[C@@]2(CN1C)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005826 185150983 /nfs/dbraw/zinc/15/09/83/185150983.db2.gz DPBKPPQLSFUTSC-LQJRIPTKSA-N 0 3 251.301 2.104 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833453 362003655 /nfs/dbraw/zinc/00/36/55/362003655.db2.gz FRVXRQAPNQRUGS-ZWNOBZJWSA-N 0 3 289.383 2.324 10 0 CEAEHN Cc1ccc2c(c1Br)[C@@]1(C[C@@H]1N)CN2 ZINC000725247465 539192592 /nfs/dbraw/zinc/19/25/92/539192592.db2.gz NJSSIKHLCONILP-KWQFWETISA-N 0 3 253.143 2.152 10 0 CEAEHN CC(C)(N)c1cn(-c2c(F)cccc2Br)nn1 ZINC000725264452 539212830 /nfs/dbraw/zinc/21/28/30/539212830.db2.gz OVSVMICADKHBMM-UHFFFAOYSA-N 0 3 299.147 2.363 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(C(F)F)cc1 ZINC000282247161 539276771 /nfs/dbraw/zinc/27/67/71/539276771.db2.gz GKPPJDGVGMQLKK-SKDRFNHKSA-N 0 3 268.307 2.381 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccnc(F)c1)c1ccccc1 ZINC000041040237 362014690 /nfs/dbraw/zinc/01/46/90/362014690.db2.gz JZLDDATUXHRNGC-AWEZNQCLSA-N 0 3 287.338 2.253 10 0 CEAEHN CNCc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000041157416 362022416 /nfs/dbraw/zinc/02/24/16/362022416.db2.gz IQAJZZGNKJYIKM-UHFFFAOYSA-N 0 3 266.300 2.207 10 0 CEAEHN CN1CCC(Oc2ncccc2Br)CC1 ZINC000042376484 362090206 /nfs/dbraw/zinc/09/02/06/362090206.db2.gz KZJFVZPYEZIKSX-UHFFFAOYSA-N 0 3 271.158 2.317 10 0 CEAEHN O=C(CN[C@H]1CCCC[C@H]1C(F)(F)F)N1CCCC1 ZINC000128824811 344338301 /nfs/dbraw/zinc/33/83/01/344338301.db2.gz WAOHAKIIWZXPPT-MNOVXSKESA-N 0 3 278.318 2.320 10 0 CEAEHN CCN1CCO[C@@H](CNc2ccnc3ccccc32)C1 ZINC000134510195 344374893 /nfs/dbraw/zinc/37/48/93/344374893.db2.gz GHKWUKSBHJIHLR-ZDUSSCGKSA-N 0 3 271.364 2.367 10 0 CEAEHN Cc1c(Cl)cccc1OCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000134795638 344377006 /nfs/dbraw/zinc/37/70/06/344377006.db2.gz XPRBYPYROVJDPF-GFCCVEGCSA-N 0 3 296.798 2.190 10 0 CEAEHN COC(=O)c1ccc(F)c(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000136153798 344384221 /nfs/dbraw/zinc/38/42/21/344384221.db2.gz HSWQKQBCNYVKHT-HNNXBMFYSA-N 0 3 294.326 2.083 10 0 CEAEHN Brc1cnccc1NCc1cnc[nH]1 ZINC000159859058 344456345 /nfs/dbraw/zinc/45/63/45/344456345.db2.gz TWSATNKIHAFSQT-UHFFFAOYSA-N 0 3 253.103 2.179 10 0 CEAEHN CC(C)COc1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170860219 344491778 /nfs/dbraw/zinc/49/17/78/344491778.db2.gz OFHBUPYTRFVENM-OAHLLOKOSA-N 0 3 290.407 2.498 10 0 CEAEHN CC(C)CCOc1ccc(CN[C@@H]2CCCNC2=O)cc1 ZINC000050394758 362418806 /nfs/dbraw/zinc/41/88/06/362418806.db2.gz NAFYGYKZUOLETI-MRXNPFEDSA-N 0 3 290.407 2.480 10 0 CEAEHN CCS[C@@H]1CCC[C@H]1NC(=O)[C@H](N)CC(C)C ZINC000233829841 344582234 /nfs/dbraw/zinc/58/22/34/344582234.db2.gz GTLPKTUGYFKHRR-IJLUTSLNSA-N 0 3 258.431 2.150 10 0 CEAEHN COc1ccccc1NC(=O)[C@@H]1NCCCC1(C)C ZINC000234908928 344588345 /nfs/dbraw/zinc/58/83/45/344588345.db2.gz LCLVXXUWGZKRSV-ZDUSSCGKSA-N 0 3 262.353 2.412 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)C2CCCC2)C1 ZINC000246274278 344615507 /nfs/dbraw/zinc/61/55/07/344615507.db2.gz AUSDSGCKJKPICW-TZMCWYRMSA-N 0 3 267.417 2.299 10 0 CEAEHN CCSc1cc(C(=O)N[C@H]2CCCN(CC)C2)ccn1 ZINC000053150476 362484611 /nfs/dbraw/zinc/48/46/11/362484611.db2.gz CXFVMODRNPDGDO-ZDUSSCGKSA-N 0 3 293.436 2.408 10 0 CEAEHN NCc1cnc(OC(F)(F)F)cc1Br ZINC000238570206 344606561 /nfs/dbraw/zinc/60/65/61/344606561.db2.gz GRSQMMAPYHTNKK-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN N[C@@H](CF)c1cccc(I)c1 ZINC000238575022 344607094 /nfs/dbraw/zinc/60/70/94/344607094.db2.gz NKOUTAOKPTVLIB-QMMMGPOBSA-N 0 3 265.069 2.261 10 0 CEAEHN C[C@H]1CSC2(CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000300895379 344701977 /nfs/dbraw/zinc/70/19/77/344701977.db2.gz VDAIDYULUDMVGG-JTQLQIEISA-N 0 3 272.414 2.439 10 0 CEAEHN Cc1ccc(CN(C)C[C@@H]2CCc3nccn3C2)nc1 ZINC000328656153 344757761 /nfs/dbraw/zinc/75/77/61/344757761.db2.gz ZBBOMHWKVATIPP-AWEZNQCLSA-N 0 3 270.380 2.281 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381668318 344824889 /nfs/dbraw/zinc/82/48/89/344824889.db2.gz KTBMTCNXMMSQJD-ASUPZPJHSA-N 0 3 252.402 2.445 10 0 CEAEHN NCc1ncoc1-c1nscc1Br ZINC000404758352 344882031 /nfs/dbraw/zinc/88/20/31/344882031.db2.gz CWBZFQSZDLLJSQ-UHFFFAOYSA-N 0 3 260.116 2.019 10 0 CEAEHN O=C(CCN1CCC[C@H]1CCCO)c1ccccc1 ZINC000053932017 362502837 /nfs/dbraw/zinc/50/28/37/362502837.db2.gz IBGDELDNQNIXFI-HNNXBMFYSA-N 0 3 261.365 2.496 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000054075033 362510549 /nfs/dbraw/zinc/51/05/49/362510549.db2.gz OADSHCPXRHCJAR-ZJUUUORDSA-N 0 3 254.761 2.467 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1cn(C)nn1 ZINC000054859743 362539186 /nfs/dbraw/zinc/53/91/86/362539186.db2.gz UDNDBLJAROHVSE-KWCYVHTRSA-N 0 3 250.390 2.366 10 0 CEAEHN Cc1ccc(C)c(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000128235240 187359529 /nfs/dbraw/zinc/35/95/29/187359529.db2.gz RVPCGFWWGVUIOG-INIZCTEOSA-N 0 3 262.397 2.066 10 0 CEAEHN C[C@@H](NC(=O)[C@@H]1C[C@H](C)CCN1)c1cccs1 ZINC000127508558 187312228 /nfs/dbraw/zinc/31/22/28/187312228.db2.gz UAJGBUMYVZWCOL-MXWKQRLJSA-N 0 3 252.383 2.313 10 0 CEAEHN CC(C)(C)N1CCN(Cc2ccc(F)cc2N)CC1 ZINC000085144083 178955222 /nfs/dbraw/zinc/95/52/22/178955222.db2.gz NBISFZFVARSCEA-UHFFFAOYSA-N 0 3 265.376 2.324 10 0 CEAEHN COC[C@H](C)C[C@H](N)c1c(OC)cccc1OC ZINC000097455756 185609395 /nfs/dbraw/zinc/60/93/95/185609395.db2.gz IZDMKKDWMWECKP-MNOVXSKESA-N 0 3 253.342 2.376 10 0 CEAEHN CC[C@@H](C)n1ccc(CNCC(C)(C)N(C)C)n1 ZINC000085173947 178962762 /nfs/dbraw/zinc/96/27/62/178962762.db2.gz QMHCRFOKBOXWOB-GFCCVEGCSA-N 0 3 252.406 2.284 10 0 CEAEHN C[C@H]1CCCN1Cc1cc(F)ccc1C(N)=S ZINC000085149065 178958711 /nfs/dbraw/zinc/95/87/11/178958711.db2.gz SOKDVWABJVGIMB-VIFPVBQESA-N 0 3 252.358 2.444 10 0 CEAEHN C[C@@H](c1cn(-c2ccccc2)nn1)N1CCN2CCC[C@@H]2C1 ZINC000177498427 232357329 /nfs/dbraw/zinc/35/73/29/232357329.db2.gz SAUYDWCYJAWDOW-GOEBONIOSA-N 0 3 297.406 2.108 10 0 CEAEHN COC(=O)c1ccccc1CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000128348210 187365487 /nfs/dbraw/zinc/36/54/87/187365487.db2.gz JOPNPXCYHWAWJT-CYBMUJFWSA-N 0 3 299.374 2.196 10 0 CEAEHN CCN(CC)[C@](C)(CC)[C@H](NN)c1cncc(C)c1 ZINC000097583734 185631269 /nfs/dbraw/zinc/63/12/69/185631269.db2.gz KCPAXQDKUFFFNT-HUUCEWRRSA-N 0 3 264.417 2.405 10 0 CEAEHN CN[C@](CO)(CSc1nnc(C)s1)c1ccccc1 ZINC000085297086 179008614 /nfs/dbraw/zinc/00/86/14/179008614.db2.gz VBISQZSEDPZERY-CYBMUJFWSA-N 0 3 295.433 2.046 10 0 CEAEHN CN[C@@](C)(CO)CSc1nc2ccccc2s1 ZINC000085298789 179009262 /nfs/dbraw/zinc/00/92/62/179009262.db2.gz GMPOZTJGFFNRGU-LBPRGKRZSA-N 0 3 268.407 2.359 10 0 CEAEHN N[C@@H]1COC[C@H]1c1nc2cc(Br)ccc2s1 ZINC000085352954 179029580 /nfs/dbraw/zinc/02/95/80/179029580.db2.gz CPYJUPLFOALELO-HTQZYQBOSA-N 0 3 299.193 2.500 10 0 CEAEHN CNC(=O)CCN[C@@H](C)c1cnc2ccsc2c1 ZINC000085433871 179061363 /nfs/dbraw/zinc/06/13/63/179061363.db2.gz WJEKMAXAAPPQLY-VIFPVBQESA-N 0 3 263.366 2.083 10 0 CEAEHN NCc1ccccc1Nc1ncncc1Br ZINC000085480668 179080191 /nfs/dbraw/zinc/08/01/91/179080191.db2.gz RWYIUBWWAYWYFF-UHFFFAOYSA-N 0 3 279.141 2.441 10 0 CEAEHN C[C@H]1CN[C@](C)(c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085531709 179091293 /nfs/dbraw/zinc/09/12/93/179091293.db2.gz BRPUYZLVBUCNEN-XIRDDKMYSA-N 0 3 274.408 2.375 10 0 CEAEHN C[C@H]1CN[C@](C)(c2ccccc2)CN1Cc1ncccn1 ZINC000085531676 179091495 /nfs/dbraw/zinc/09/14/95/179091495.db2.gz FYJZHOHBBUBGCQ-YOEHRIQHSA-N 0 3 282.391 2.186 10 0 CEAEHN CC(C)(C)c1nc2c(n1[C@@H]1CCN(C3CC3)C1)CCNC2 ZINC000085573012 179098724 /nfs/dbraw/zinc/09/87/24/179098724.db2.gz HMGOEFMEGLYBMH-CYBMUJFWSA-N 0 3 288.439 2.236 10 0 CEAEHN COCCNC[C@@H](O)c1ccc(Br)c(C)c1 ZINC000085708747 179123121 /nfs/dbraw/zinc/12/31/21/179123121.db2.gz NXQAIUYPSMXSTB-GFCCVEGCSA-N 0 3 288.185 2.027 10 0 CEAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)[C@H]1CCCO1 ZINC000336816842 365859634 /nfs/dbraw/zinc/85/96/34/365859634.db2.gz NOMNIVKBFYYXBO-CWRNSKLLSA-N 0 3 262.397 2.446 10 0 CEAEHN C[C@H](O)CCNCc1cccc(NC(=O)C(F)(F)F)c1 ZINC000085983663 179210590 /nfs/dbraw/zinc/21/05/90/179210590.db2.gz PXRDCSAZVIIBCC-VIFPVBQESA-N 0 3 290.285 2.048 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)[C@@H]1C ZINC000086075454 179224836 /nfs/dbraw/zinc/22/48/36/179224836.db2.gz LUTGZTCGWDFWGE-GBOPCIDUSA-N 0 3 260.381 2.107 10 0 CEAEHN CC(C)(C)NCc1nnc2ccc(Br)cn21 ZINC000086137539 179236824 /nfs/dbraw/zinc/23/68/24/179236824.db2.gz LEGWAOUNZAXSKK-UHFFFAOYSA-N 0 3 283.173 2.380 10 0 CEAEHN c1ccc([C@H]2CN(CCc3ccccn3)CCN2)cc1 ZINC000086130659 179236870 /nfs/dbraw/zinc/23/68/70/179236870.db2.gz CFVLJAWDPXFVTP-QGZVFWFLSA-N 0 3 267.376 2.271 10 0 CEAEHN CC[C@@H]1CC[C@H](NCc2c(OC)ncnc2OC)[C@@H]1C ZINC000086083922 179228959 /nfs/dbraw/zinc/22/89/59/179228959.db2.gz KDGMFKRWKRCEDT-WZRBSPASSA-N 0 3 279.384 2.408 10 0 CEAEHN CC[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2CN)[C@@H]1C ZINC000086091444 179229027 /nfs/dbraw/zinc/22/90/27/179229027.db2.gz YYXOKMFHMQNMGB-MBNYWOFBSA-N 0 3 296.436 2.248 10 0 CEAEHN Cc1ccc(CN)cc1NC(=O)c1ccncc1F ZINC000086315845 179269151 /nfs/dbraw/zinc/26/91/51/179269151.db2.gz CQFAKIHSRMWMNJ-UHFFFAOYSA-N 0 3 259.284 2.240 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cc(Cl)cs2)CCO1 ZINC000086333168 179273500 /nfs/dbraw/zinc/27/35/00/179273500.db2.gz WTGNENSLIYSSNN-SCZZXKLOSA-N 0 3 260.790 2.122 10 0 CEAEHN CCN(CCOC)c1nc2c(s1)CCC[C@H]2NC ZINC000086443706 179294031 /nfs/dbraw/zinc/29/40/31/179294031.db2.gz MQJNSTSIYWSESO-SNVBAGLBSA-N 0 3 269.414 2.213 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccccc2F)[C@@H](CC)CN1 ZINC000086447271 179296035 /nfs/dbraw/zinc/29/60/35/179296035.db2.gz IABHTNPBBFOBCN-RYUDHWBXSA-N 0 3 264.344 2.428 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccoc2C)[C@@H](CC)CN1 ZINC000086446773 179295436 /nfs/dbraw/zinc/29/54/36/179295436.db2.gz HXMMQQKCWJDLDW-RYUDHWBXSA-N 0 3 250.342 2.191 10 0 CEAEHN COc1cc(CNC(C)(C)CO)c(SC)cc1OC ZINC000086498684 179303102 /nfs/dbraw/zinc/30/31/02/179303102.db2.gz VEVUWEWUANRFHO-UHFFFAOYSA-N 0 3 285.409 2.286 10 0 CEAEHN CN[C@@H](Cc1cc(Br)cs1)C(OC)OC ZINC000086452144 179296401 /nfs/dbraw/zinc/29/64/01/179296401.db2.gz BBQZSLVPMHGNNP-VIFPVBQESA-N 0 3 294.214 2.260 10 0 CEAEHN COc1ccc([C@H](CN)N2CCO[C@@H](C)C2)cc1Cl ZINC000086586339 179309731 /nfs/dbraw/zinc/30/97/31/179309731.db2.gz PJJYWPZFLNHGMT-GWCFXTLKSA-N 0 3 284.787 2.069 10 0 CEAEHN COc1ccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000086586324 179309845 /nfs/dbraw/zinc/30/98/45/179309845.db2.gz URHSIYJEKGASBC-MJVIPROJSA-N 0 3 298.814 2.458 10 0 CEAEHN COC[C@@H](N[C@@H](C)c1c(C)nn(C)c1C)C(C)C ZINC000086695247 179320753 /nfs/dbraw/zinc/32/07/53/179320753.db2.gz ULXLYOUZWLPOKP-GXFFZTMASA-N 0 3 253.390 2.359 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1N(C)Cc1c[nH]c(=NN)s1 ZINC000086767651 179325564 /nfs/dbraw/zinc/32/55/64/179325564.db2.gz ZOPMOSPCLDOQAO-KOLCDFICSA-N 0 3 254.403 2.439 10 0 CEAEHN CC[C@H](C)[C@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776195 179327844 /nfs/dbraw/zinc/32/78/44/179327844.db2.gz CQJLTHNLAPYDFA-KCQAQPDRSA-N 0 3 282.428 2.434 10 0 CEAEHN CC[C@H](C)[C@H](C)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776195 179327846 /nfs/dbraw/zinc/32/78/46/179327846.db2.gz CQJLTHNLAPYDFA-KCQAQPDRSA-N 0 3 282.428 2.434 10 0 CEAEHN CC[C@](C)(N)C(=O)Nc1ccc(Br)c(C)n1 ZINC000086808394 179340796 /nfs/dbraw/zinc/34/07/96/179340796.db2.gz RUNXSVOPRZJCIY-NSHDSACASA-N 0 3 286.173 2.218 10 0 CEAEHN COc1ccc([C@@]2(O)CCCN(C)CC2)c(OC)c1 ZINC000086834121 179349550 /nfs/dbraw/zinc/34/95/50/179349550.db2.gz ISCIDNYMPDAAHI-OAHLLOKOSA-N 0 3 265.353 2.007 10 0 CEAEHN CCC(N)(CC)C(=O)Nc1ncc(Br)s1 ZINC000086813107 179342722 /nfs/dbraw/zinc/34/27/22/179342722.db2.gz QOCBEYHYLJGULV-UHFFFAOYSA-N 0 3 292.202 2.362 10 0 CEAEHN CN1CCC[C@](NC2CC2)(c2nccs2)CC1 ZINC000086833743 179350670 /nfs/dbraw/zinc/35/06/70/179350670.db2.gz YBBHCSYHXHALLV-CYBMUJFWSA-N 0 3 251.399 2.206 10 0 CEAEHN CC1(C)CC[C@H](S(=O)(=O)c2cccs2)[C@H]1N ZINC000086866845 179360569 /nfs/dbraw/zinc/36/05/69/179360569.db2.gz FEORCXQPLNJTQF-WCBMZHEXSA-N 0 3 259.396 2.038 10 0 CEAEHN CC(C)N1CCC[C@H]([N@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868959 179361399 /nfs/dbraw/zinc/36/13/99/179361399.db2.gz YNUSDEMNFGKTKJ-LBPRGKRZSA-N 0 3 256.390 2.044 10 0 CEAEHN CC(C)N1CCC[C@H]([N@@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868959 179361401 /nfs/dbraw/zinc/36/14/01/179361401.db2.gz YNUSDEMNFGKTKJ-LBPRGKRZSA-N 0 3 256.390 2.044 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868602 179361586 /nfs/dbraw/zinc/36/15/86/179361586.db2.gz AJBCWHYSSWPDIK-UONOGXRCSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@H]([N@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868602 179361588 /nfs/dbraw/zinc/36/15/88/179361588.db2.gz AJBCWHYSSWPDIK-UONOGXRCSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CC(=O)[O-])C(C)C)CC1 ZINC000086868754 179362682 /nfs/dbraw/zinc/36/26/82/179362682.db2.gz IHDNPOHKDVNXNR-ZDUSSCGKSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CC(=O)[O-])C(C)C)CC1 ZINC000086868754 179362683 /nfs/dbraw/zinc/36/26/83/179362683.db2.gz IHDNPOHKDVNXNR-ZDUSSCGKSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CC(=O)[O-])[C@@H](C)CC)CC1 ZINC000086868832 179362767 /nfs/dbraw/zinc/36/27/67/179362767.db2.gz KFGRIJGYADAERY-KBPBESRZSA-N 0 3 270.417 2.436 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CC(=O)[O-])[C@@H](C)CC)CC1 ZINC000086868832 179362768 /nfs/dbraw/zinc/36/27/68/179362768.db2.gz KFGRIJGYADAERY-KBPBESRZSA-N 0 3 270.417 2.436 10 0 CEAEHN CCOC(=O)[C@]1(NCC(C)C)CCCN(C(C)C)CC1 ZINC000086850286 179358391 /nfs/dbraw/zinc/35/83/91/179358391.db2.gz DLNQGQSUQQGXAW-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1cc(F)ccc1C ZINC000086979305 179373009 /nfs/dbraw/zinc/37/30/09/179373009.db2.gz UZDKJBIFZRFFQA-CYBMUJFWSA-N 0 3 273.373 2.349 10 0 CEAEHN COc1ccc([C@H](CN)N(C)Cc2ccccn2)cc1F ZINC000086983604 179373842 /nfs/dbraw/zinc/37/38/42/179373842.db2.gz LOPBWYZEFOOUDQ-HNNXBMFYSA-N 0 3 289.354 2.361 10 0 CEAEHN Oc1ccc2c(c1)OC[C@H]2NCC1(O)CCCCC1 ZINC000087016959 179380342 /nfs/dbraw/zinc/38/03/42/179380342.db2.gz LQUJKEYZRBUUEP-CYBMUJFWSA-N 0 3 263.337 2.111 10 0 CEAEHN COCC1CCN([C@H](CN)c2ccc(OC)c(F)c2)CC1 ZINC000086992355 179375357 /nfs/dbraw/zinc/37/53/57/179375357.db2.gz PSPSWUFRQOQTAT-OAHLLOKOSA-N 0 3 296.386 2.193 10 0 CEAEHN CCN(C[C@H]1CCCO1)[C@@H](CN)c1ccc(OC)c(F)c1 ZINC000086991813 179375491 /nfs/dbraw/zinc/37/54/91/179375491.db2.gz TZGUPOQNMYUISB-HIFRSBDPSA-N 0 3 296.386 2.335 10 0 CEAEHN CCC1(CC)CNC[C@H](c2ccc(S(C)(=O)=O)cc2)O1 ZINC000087007182 179378409 /nfs/dbraw/zinc/37/84/09/179378409.db2.gz JUQZKTLQHRSEKK-CQSZACIVSA-N 0 3 297.420 2.310 10 0 CEAEHN CC1CCC(O)(CNCC(=O)Nc2ccccc2F)CC1 ZINC000087062094 179389428 /nfs/dbraw/zinc/38/94/28/179389428.db2.gz TYRCIBHFZQGZPP-UHFFFAOYSA-N 0 3 294.370 2.295 10 0 CEAEHN CCC1CCC(O)(CNCc2c[nH]c(C)n2)CC1 ZINC000087061413 179389642 /nfs/dbraw/zinc/38/96/42/179389642.db2.gz SPTDMMSQWFBXRM-UHFFFAOYSA-N 0 3 251.374 2.139 10 0 CEAEHN CCC1CCC(O)(CNCc2cnc(C)[nH]2)CC1 ZINC000087061413 179389643 /nfs/dbraw/zinc/38/96/43/179389643.db2.gz SPTDMMSQWFBXRM-UHFFFAOYSA-N 0 3 251.374 2.139 10 0 CEAEHN COc1ccc(C[C@@]2(C)CNC[C@@H](C)O2)cc1OC ZINC000087090083 179394164 /nfs/dbraw/zinc/39/41/64/179394164.db2.gz OCIFCVOTWUUGFU-ABAIWWIYSA-N 0 3 265.353 2.013 10 0 CEAEHN Cc1oc(C)c(C(=O)Nc2ccc(CN)cn2)c1C ZINC000087188251 179399918 /nfs/dbraw/zinc/39/99/18/179399918.db2.gz LDPGKEGGFPAMRH-UHFFFAOYSA-N 0 3 259.309 2.311 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1snnc1C(C)C ZINC000087443056 179426138 /nfs/dbraw/zinc/42/61/38/179426138.db2.gz KOPCQPSLMQQNRW-WDEREUQCSA-N 0 3 296.440 2.264 10 0 CEAEHN C[C@H](CC1CC1)NC(=O)[C@H]1CNCc2ccccc21 ZINC000087619726 179455782 /nfs/dbraw/zinc/45/57/82/179455782.db2.gz WRKGQEXGEWMSLE-ABAIWWIYSA-N 0 3 258.365 2.178 10 0 CEAEHN Nc1ccc([C@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000616632836 348540856 /nfs/dbraw/zinc/54/08/56/348540856.db2.gz BWQCYAQVWHKIOP-QGZVFWFLSA-N 0 3 267.376 2.415 10 0 CEAEHN CCOC(=O)c1ccc([C@@H]2CN(C(C)C)CCN2)cc1 ZINC000616633014 348541663 /nfs/dbraw/zinc/54/16/63/348541663.db2.gz WETUBVLPMHXJAS-HNNXBMFYSA-N 0 3 276.380 2.218 10 0 CEAEHN CC(C)(C)N1CCOC[C@@H](c2ccccc2CO)C1 ZINC000616660019 348551959 /nfs/dbraw/zinc/55/19/59/348551959.db2.gz JHDQDLPQBZPBFJ-AWEZNQCLSA-N 0 3 263.381 2.393 10 0 CEAEHN CCN1CCCOC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616648234 348546947 /nfs/dbraw/zinc/54/69/47/348546947.db2.gz BWRUBAUHVLPZNL-GFCCVEGCSA-N 0 3 272.389 2.012 10 0 CEAEHN Nc1cc([C@H]2CN(Cc3ccccc3)CCCO2)ccn1 ZINC000616650517 348547912 /nfs/dbraw/zinc/54/79/12/348547912.db2.gz AVEFLFJYMIAYNC-MRXNPFEDSA-N 0 3 283.375 2.458 10 0 CEAEHN CCN1CCc2ccccc2[C@@H]1c1ccnc(N)c1 ZINC000616585885 348526950 /nfs/dbraw/zinc/52/69/50/348526950.db2.gz CZBGFXUOAPHNEY-INIZCTEOSA-N 0 3 253.349 2.462 10 0 CEAEHN CCN1CCOCC[C@@H]1c1cccc(NC(C)=O)c1 ZINC000616598996 348530389 /nfs/dbraw/zinc/53/03/89/348530389.db2.gz NPMDIWPUFRAQMN-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN CCN1CCOCC[C@H]1c1ccc(NC(C)=O)cc1 ZINC000616599185 348530496 /nfs/dbraw/zinc/53/04/96/348530496.db2.gz XJVLWKXHQSWNGK-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN c1coc([C@@H]2COCCN(Cc3ccccc3)C2)n1 ZINC000616658803 348551121 /nfs/dbraw/zinc/55/11/21/348551121.db2.gz FJHGJDUUUPWZKP-AWEZNQCLSA-N 0 3 258.321 2.291 10 0 CEAEHN OCCN1CCCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616614920 348535158 /nfs/dbraw/zinc/53/51/58/348535158.db2.gz ZRHOPGOCFLMSIL-OAHLLOKOSA-N 0 3 257.337 2.149 10 0 CEAEHN Nc1cc([C@H]2CCN(Cc3ccccc3)CCO2)ccn1 ZINC000616662336 348553857 /nfs/dbraw/zinc/55/38/57/348553857.db2.gz HEXSCIWPZLJCKC-MRXNPFEDSA-N 0 3 283.375 2.458 10 0 CEAEHN OCCc1ccccc1[C@H]1c2ccccc2CCN1CCO ZINC000616679213 348558319 /nfs/dbraw/zinc/55/83/19/348558319.db2.gz RTNOSDKLRLEPIB-LJQANCHMSA-N 0 3 297.398 2.161 10 0 CEAEHN Cc1cccnc1C(=O)N1CCNCC12CCCCC2 ZINC000088396091 179590978 /nfs/dbraw/zinc/59/09/78/179590978.db2.gz IZSOTWAKEGLCBY-UHFFFAOYSA-N 0 3 273.380 2.138 10 0 CEAEHN CN[C@H](Cc1ncnn1C)c1cccc(C(F)(F)F)c1 ZINC000088581668 179629531 /nfs/dbraw/zinc/62/95/31/179629531.db2.gz YRSRZTMRGKLHBD-LLVKDONJSA-N 0 3 284.285 2.337 10 0 CEAEHN CC(C)n1ncnc1C[C@H](N)c1ccc(F)cc1F ZINC000088612051 179639211 /nfs/dbraw/zinc/63/92/11/179639211.db2.gz CAYLFHWRZOYDNA-LBPRGKRZSA-N 0 3 266.295 2.380 10 0 CEAEHN CCN[C@@H](Cc1nn(C)c2ccccc12)c1ccncn1 ZINC000089177871 179742741 /nfs/dbraw/zinc/74/27/41/179742741.db2.gz DRABWPLRDLLUSQ-HNNXBMFYSA-N 0 3 281.363 2.257 10 0 CEAEHN CN[C@H](Cc1nn(C)c2ccccc12)c1ccccn1 ZINC000089177425 179742843 /nfs/dbraw/zinc/74/28/43/179742843.db2.gz ICKGEBPSCUPUIQ-OAHLLOKOSA-N 0 3 266.348 2.472 10 0 CEAEHN C[C@H]1C[C@H](O)CN(CCOc2cccc(Cl)c2)C1 ZINC000401723931 233185410 /nfs/dbraw/zinc/18/54/10/233185410.db2.gz ZJZRVWWNTYGVDE-AAEUAGOBSA-N 0 3 269.772 2.422 10 0 CEAEHN CCC(C)(C)C1CCC(NC(=O)[C@H]2COC[C@@H]2N)CC1 ZINC000090379685 179979605 /nfs/dbraw/zinc/97/96/05/179979605.db2.gz JGUXJAAITQBKFD-HOAMVYINSA-N 0 3 282.428 2.071 10 0 CEAEHN CCn1c2ccc(Cl)cc2nc1[C@]1(C)COC[C@H]1N ZINC000090571738 180007245 /nfs/dbraw/zinc/00/72/45/180007245.db2.gz UBJYXKGQMDAPKH-TZMCWYRMSA-N 0 3 279.771 2.325 10 0 CEAEHN C[C@@]1(c2nc(-c3ccc(Cl)cc3)no2)COC[C@@H]1N ZINC000090573122 180007599 /nfs/dbraw/zinc/00/75/99/180007599.db2.gz BYWCLPGYUDPPHL-GXFFZTMASA-N 0 3 279.727 2.005 10 0 CEAEHN C[C@]1(C(=O)Nc2cc(Cl)ccc2Cl)COC[C@@H]1N ZINC000090580135 180008170 /nfs/dbraw/zinc/00/81/70/180008170.db2.gz BWVHTTHBRRDRRE-JQWIXIFHSA-N 0 3 289.162 2.296 10 0 CEAEHN C[C@@]1(c2nc(-c3cc4ccccc4o3)no2)COC[C@H]1N ZINC000090573835 180008582 /nfs/dbraw/zinc/00/85/82/180008582.db2.gz UVOXSBNLXKGGAN-IUODEOHRSA-N 0 3 285.303 2.098 10 0 CEAEHN CCCCCC[C@H](C)OC(=O)[C@]1(C)COC[C@@H]1N ZINC000090574538 180008706 /nfs/dbraw/zinc/00/87/06/180008706.db2.gz AJLABPICNXXAGN-SGMGOOAPSA-N 0 3 257.374 2.252 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)COC[C@@H]1N ZINC000090580689 180008772 /nfs/dbraw/zinc/00/87/72/180008772.db2.gz IMGNWEYXABNRFY-CMPLNLGQSA-N 0 3 289.162 2.296 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)COC[C@H]1N ZINC000090580692 180008822 /nfs/dbraw/zinc/00/88/22/180008822.db2.gz IMGNWEYXABNRFY-PWSUYJOCSA-N 0 3 289.162 2.296 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)[C@]1(C)COC[C@H]1N ZINC000090589977 180009936 /nfs/dbraw/zinc/00/99/36/180009936.db2.gz RUXXEIKUWRVWDC-GDBMZVCRSA-N 0 3 292.379 2.086 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@@]1(C)COC[C@H]1N ZINC000090590103 180010646 /nfs/dbraw/zinc/01/06/46/180010646.db2.gz QNAHQVUNWSKIJK-OCCSQVGLSA-N 0 3 298.770 2.041 10 0 CEAEHN CCC(C)(C)C1CCC(NCc2cn(CCO)nn2)CC1 ZINC000090636684 180017193 /nfs/dbraw/zinc/01/71/93/180017193.db2.gz YWOMTMNQRLZKNF-UHFFFAOYSA-N 0 3 294.443 2.355 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)c1ccccc1F ZINC000090699844 180027762 /nfs/dbraw/zinc/02/77/62/180027762.db2.gz ZQZUYXNNHGUWID-GFCCVEGCSA-N 0 3 296.411 2.335 10 0 CEAEHN CCNC(=O)N1CCCSC[C@@H]1CN1CCCCC1 ZINC000090701792 180027878 /nfs/dbraw/zinc/02/78/78/180027878.db2.gz AUQXRTUQIVPPSQ-ZDUSSCGKSA-N 0 3 285.457 2.009 10 0 CEAEHN O=C(C1CCC1)N1CCCSC[C@H]1CN1CCCC1 ZINC000090700854 180027921 /nfs/dbraw/zinc/02/79/21/180027921.db2.gz OMYCAXBLTFZEMX-CQSZACIVSA-N 0 3 282.453 2.216 10 0 CEAEHN COC(=O)C1(C[C@H]2CO2)CCN(Cc2ccccc2)CC1 ZINC000669372394 539753672 /nfs/dbraw/zinc/75/36/72/539753672.db2.gz QVUBAYBJSSEQDI-HNNXBMFYSA-N 0 3 289.375 2.231 10 0 CEAEHN COc1cc(N[C@H](C)CN2CCCCC2)nc(C)n1 ZINC000090792147 180043010 /nfs/dbraw/zinc/04/30/10/180043010.db2.gz SJHLPGZZHXVPHX-LLVKDONJSA-N 0 3 264.373 2.080 10 0 CEAEHN CCOc1cc(N[C@@H]2CCCN(CC)C2)nc(C)n1 ZINC000090792011 180043039 /nfs/dbraw/zinc/04/30/39/180043039.db2.gz YUMDKKITQBTVIT-GFCCVEGCSA-N 0 3 264.373 2.080 10 0 CEAEHN Cc1cccnc1CNC[C@@H]1Cc2ccccc2O1 ZINC000090874632 180050938 /nfs/dbraw/zinc/05/09/38/180050938.db2.gz AHODQIZOTYIBSQ-AWEZNQCLSA-N 0 3 254.333 2.483 10 0 CEAEHN CCNCc1cnn(C[C@@H]2Cc3cc(F)ccc3O2)c1 ZINC000090895599 180055726 /nfs/dbraw/zinc/05/57/26/180055726.db2.gz BGHVIPSSMBMNGX-AWEZNQCLSA-N 0 3 275.327 2.135 10 0 CEAEHN CCNCc1cnn(C[C@H]2Cc3cc(F)ccc3O2)c1 ZINC000090895600 180055934 /nfs/dbraw/zinc/05/59/34/180055934.db2.gz BGHVIPSSMBMNGX-CQSZACIVSA-N 0 3 275.327 2.135 10 0 CEAEHN CC(C)N(CCO)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900895 180059102 /nfs/dbraw/zinc/05/91/02/180059102.db2.gz BYLMVLPHGFYUIX-ZDUSSCGKSA-N 0 3 269.772 2.346 10 0 CEAEHN Cn1cc(CNC[C@@H]2Cc3cc(Cl)ccc3O2)cn1 ZINC000090903907 180059863 /nfs/dbraw/zinc/05/98/63/180059863.db2.gz LINPFDZVXBOMBL-ZDUSSCGKSA-N 0 3 277.755 2.167 10 0 CEAEHN Cc1ccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090905677 180060036 /nfs/dbraw/zinc/06/00/36/180060036.db2.gz PXXOGVYOFBQJRH-XHSDSOJGSA-N 0 3 260.381 2.166 10 0 CEAEHN CC(C)Oc1ccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905940 180060906 /nfs/dbraw/zinc/06/09/06/180060906.db2.gz SYVMQEGLQWESKM-IXDOHACOSA-N 0 3 290.407 2.337 10 0 CEAEHN NC[C@H](c1cccc2cccnc21)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905901 180061190 /nfs/dbraw/zinc/06/11/90/180061190.db2.gz YIOANAGBSZUFTH-IJEWVQPXSA-N 0 3 283.375 2.098 10 0 CEAEHN CCNCc1cc(CN2C[C@H]3CC[C@@H](C2)O3)oc1C ZINC000090907891 180061870 /nfs/dbraw/zinc/06/18/70/180061870.db2.gz LCSWDPVDFCJXOM-OKILXGFUSA-N 0 3 264.369 2.061 10 0 CEAEHN CC(=O)Nc1ccsc1CNC[C@@H]1CCCCO1 ZINC000090960478 180075770 /nfs/dbraw/zinc/07/57/70/180075770.db2.gz MKLDBVOAJPPULW-NSHDSACASA-N 0 3 268.382 2.365 10 0 CEAEHN c1ccc2c(c1)C[C@@H]2c1noc(C[C@@H]2CSCCN2)n1 ZINC000091129159 180100808 /nfs/dbraw/zinc/10/08/08/180100808.db2.gz LKGQHZNBSKPSMO-YPMHNXCESA-N 0 3 287.388 2.005 10 0 CEAEHN CCOCc1ccccc1NC(=O)C[C@@H]1CSCCN1 ZINC000091134603 180104167 /nfs/dbraw/zinc/10/41/67/180104167.db2.gz ZGQCCORQJITWQP-CYBMUJFWSA-N 0 3 294.420 2.257 10 0 CEAEHN CCNCc1cnn(-c2ccncc2)c1C(F)(F)F ZINC000091337077 180136682 /nfs/dbraw/zinc/13/66/82/180136682.db2.gz DGVSAUKZLGUKII-UHFFFAOYSA-N 0 3 270.258 2.396 10 0 CEAEHN C[C@@H](CO)[C@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000091345107 180137041 /nfs/dbraw/zinc/13/70/41/180137041.db2.gz SVBQBDQPUWMMHY-SRVKXCTJSA-N 0 3 261.369 2.241 10 0 CEAEHN c1cn2c(cn1)nnc2[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091355277 180138742 /nfs/dbraw/zinc/13/87/42/180138742.db2.gz VEFDWZJZJFMZQS-WOPDTQHZSA-N 0 3 257.341 2.108 10 0 CEAEHN CC(C)(C)N1C(=O)CCC[C@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275607 180118909 /nfs/dbraw/zinc/11/89/09/180118909.db2.gz VCGFUWYOXBBADW-SWLSCSKDSA-N 0 3 290.411 2.397 10 0 CEAEHN CCCN1C(=O)CCC[C@@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275592 180119276 /nfs/dbraw/zinc/11/92/76/180119276.db2.gz VVXAMCDNRIFIBJ-IUODEOHRSA-N 0 3 276.384 2.009 10 0 CEAEHN O[C@@H](c1cncn1C1CC1)[C@@H]1NCc2ccccc21 ZINC000091277441 180120387 /nfs/dbraw/zinc/12/03/87/180120387.db2.gz OYVGVQQWKVKDTA-CABCVRRESA-N 0 3 255.321 2.096 10 0 CEAEHN CCCN(C(C)C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276225 180120483 /nfs/dbraw/zinc/12/04/83/180120483.db2.gz QPRQZMJLLRPOOH-ZDUSSCGKSA-N 0 3 250.390 2.338 10 0 CEAEHN CC(C)n1c(C[C@H]2CNCCO2)nc2ccc(F)cc21 ZINC000091293354 180124120 /nfs/dbraw/zinc/12/41/20/180124120.db2.gz LZKMLLIQBBKTHF-LBPRGKRZSA-N 0 3 277.343 2.287 10 0 CEAEHN CC1(C)CCC(c2noc(C[C@@H]3CNCCO3)n2)CC1 ZINC000091295183 180124611 /nfs/dbraw/zinc/12/46/11/180124611.db2.gz NQALEUYFXWUATK-GFCCVEGCSA-N 0 3 279.384 2.284 10 0 CEAEHN C[C@@H](NC1CC(O)C1)c1ccc(-n2ccnc2)cc1 ZINC000091428743 180152947 /nfs/dbraw/zinc/15/29/47/180152947.db2.gz VZJDOMNVDLYLFX-NUYPLMSZSA-N 0 3 257.337 2.046 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000091432723 180153727 /nfs/dbraw/zinc/15/37/27/180153727.db2.gz CFVOWDGMESAMGW-ZDUSSCGKSA-N 0 3 275.396 2.203 10 0 CEAEHN Cc1cc([C@H]2[C@@H](CN)OCCN2C)ccc1Br ZINC000091475421 180165321 /nfs/dbraw/zinc/16/53/21/180165321.db2.gz UUOMLLGSUSSNFP-OLZOCXBDSA-N 0 3 299.212 2.088 10 0 CEAEHN C[C@H](NC1CC(O)C1)c1ccccc1OC(F)F ZINC000091416288 180149738 /nfs/dbraw/zinc/14/97/38/180149738.db2.gz VBHGJLRJGKHWQW-IDKOKCKLSA-N 0 3 257.280 2.462 10 0 CEAEHN CC(C)c1ccn(-c2cncc(CNC3CC3)n2)n1 ZINC000091422518 180151163 /nfs/dbraw/zinc/15/11/63/180151163.db2.gz FQNAOUIWBSUVHO-UHFFFAOYSA-N 0 3 257.341 2.038 10 0 CEAEHN CCCn1nccc1[C@@H](NC)[C@@](C)(CC)N(C)C ZINC000091570497 180195618 /nfs/dbraw/zinc/19/56/18/180195618.db2.gz QXAJHAKRUCKSKO-ZIAGYGMSSA-N 0 3 252.406 2.284 10 0 CEAEHN CCCN[C@@H](c1nccn1C)[C@@](C)(CC)N(C)C ZINC000091571884 180196698 /nfs/dbraw/zinc/19/66/98/180196698.db2.gz YPJHDJMNIMFYCQ-GXTWGEPZSA-N 0 3 252.406 2.191 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccccc1F)N1CCOCC1 ZINC000091611879 180206723 /nfs/dbraw/zinc/20/67/23/180206723.db2.gz FNVFXFAWOXPUHZ-GJZGRUSLSA-N 0 3 266.360 2.326 10 0 CEAEHN CC[C@](C)([C@H](N)c1cccc(F)c1)N1CCOCC1 ZINC000091611906 180206768 /nfs/dbraw/zinc/20/67/68/180206768.db2.gz XRQRLPINLNCCPW-HUUCEWRRSA-N 0 3 266.360 2.326 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccc(F)cc1)N1CCOCC1 ZINC000091611985 180207270 /nfs/dbraw/zinc/20/72/70/180207270.db2.gz RBONMUVAGNMUSA-CABCVRRESA-N 0 3 266.360 2.326 10 0 CEAEHN CCN(CC)C(CC)(CC)C(=O)Cc1cnn(C)c1 ZINC000091615315 180207977 /nfs/dbraw/zinc/20/79/77/180207977.db2.gz FUCQISUDDFYBET-UHFFFAOYSA-N 0 3 265.401 2.432 10 0 CEAEHN CCn1ccnc1[C@@H](NC)C(CC)(CC)N(C)C ZINC000091614506 180208205 /nfs/dbraw/zinc/20/82/05/180208205.db2.gz OEMNRQFBLWLSBI-GFCCVEGCSA-N 0 3 252.406 2.284 10 0 CEAEHN CCN1CCC(CO)(Nc2cc(C)cc(F)c2)CC1 ZINC000091517729 180177429 /nfs/dbraw/zinc/17/74/29/180177429.db2.gz IHMPSOXZOHOZOJ-UHFFFAOYSA-N 0 3 266.360 2.393 10 0 CEAEHN Cc1cc(F)cc(NC2(CO)CCN(C)CC2)c1 ZINC000091518167 180177638 /nfs/dbraw/zinc/17/76/38/180177638.db2.gz HWYYYHGUHCPDLY-UHFFFAOYSA-N 0 3 252.333 2.003 10 0 CEAEHN CCN[C@@H](c1cnccn1)C(C)(C)N(CC)CC ZINC000091531318 180180925 /nfs/dbraw/zinc/18/09/25/180180925.db2.gz ZLBPGJMIWQKYEC-ZDUSSCGKSA-N 0 3 250.390 2.248 10 0 CEAEHN CC(C)([C@@H](O)c1cc(Cl)cnc1N)N1CCCC1 ZINC000091532976 180181588 /nfs/dbraw/zinc/18/15/88/180181588.db2.gz VLRIGWWBBSBGLP-NSHDSACASA-N 0 3 269.776 2.225 10 0 CEAEHN CCn1nc(C)c(N)c1NC[C@@H](C)N1CCCCC1 ZINC000091554216 180189577 /nfs/dbraw/zinc/18/95/77/180189577.db2.gz DHQRPQZIWOXEGB-LLVKDONJSA-N 0 3 265.405 2.080 10 0 CEAEHN C[C@@H]1CCC[C@@](C(=O)Cc2cnn(C)c2)(N(C)C)C1 ZINC000091650061 180216367 /nfs/dbraw/zinc/21/63/67/180216367.db2.gz APHHWEUBSMYUPM-IUODEOHRSA-N 0 3 263.385 2.042 10 0 CEAEHN C[C@H]1CCC[C@@](C(=O)Cc2ccnc(N)c2)(N(C)C)C1 ZINC000091649791 180216372 /nfs/dbraw/zinc/21/63/72/180216372.db2.gz SGUTYDHLLZCSJA-BLLLJJGKSA-N 0 3 275.396 2.286 10 0 CEAEHN O[C@H](Cc1c(F)cccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091715527 180232042 /nfs/dbraw/zinc/23/20/42/180232042.db2.gz IJERETHFRJOSNQ-KMUNFCNLSA-N 0 3 299.773 2.246 10 0 CEAEHN CN[C@H](c1cc(C)c(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091717510 180232595 /nfs/dbraw/zinc/23/25/95/180232595.db2.gz IZMQZPBQTASTQP-HZPDHXFCSA-N 0 3 262.397 2.203 10 0 CEAEHN CCCN[C@H](c1ccsc1)[C@H]1CN(C)CCO1 ZINC000091718973 180233193 /nfs/dbraw/zinc/23/31/93/180233193.db2.gz WRPVHMUXSGQFCS-CHWSQXEVSA-N 0 3 254.399 2.119 10 0 CEAEHN CCCN[C@@H](c1ccc(C)s1)[C@H]1CN(C)CCO1 ZINC000091719544 180234542 /nfs/dbraw/zinc/23/45/42/180234542.db2.gz NOTWGSGRWBRFSV-TZMCWYRMSA-N 0 3 268.426 2.428 10 0 CEAEHN N[C@H](c1cncc2ccccc21)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720856 180236404 /nfs/dbraw/zinc/23/64/04/180236404.db2.gz WWRJMQIMTCOEMV-KBRIMQKVSA-N 0 3 283.375 2.098 10 0 CEAEHN CSc1ccc([C@H](C)N[C@H]2CCOC[C@@H]2O)cc1 ZINC000624235357 350238475 /nfs/dbraw/zinc/23/84/75/350238475.db2.gz JDVFMDAMWHRVSM-BPNCWPANSA-N 0 3 267.394 2.209 10 0 CEAEHN CN[C@H](c1cc(F)cc(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721233 180238349 /nfs/dbraw/zinc/23/83/49/180238349.db2.gz ZQQFQCODXXYBGQ-QLFBSQMISA-N 0 3 282.334 2.089 10 0 CEAEHN CCc1ccc(C(=O)NC[C@H](N)c2ccccc2)o1 ZINC000091762563 180248232 /nfs/dbraw/zinc/24/82/32/180248232.db2.gz FIIFBBOQTVQLSP-ZDUSSCGKSA-N 0 3 258.321 2.272 10 0 CEAEHN Cc1noc(CCNCc2ccc(OC(C)C)cc2)n1 ZINC000105469558 186058590 /nfs/dbraw/zinc/05/85/90/186058590.db2.gz HTKBXKKGPGBHBW-UHFFFAOYSA-N 0 3 275.352 2.498 10 0 CEAEHN Cc1noc(CCNCc2cccc(Br)c2)n1 ZINC000105470162 186058851 /nfs/dbraw/zinc/05/88/51/186058851.db2.gz PVOMFHNUWGGPOF-UHFFFAOYSA-N 0 3 296.168 2.473 10 0 CEAEHN CCN(C(=O)c1cccc([O-])c1)C1CCC([NH3+])CC1 ZINC000091850223 180271761 /nfs/dbraw/zinc/27/17/61/180271761.db2.gz XFDHDXVDNUKBIZ-UHFFFAOYSA-N 0 3 262.353 2.124 10 0 CEAEHN CC[C@@H]1CN(C(=O)N2CCCCC2)[C@H](CC)CN1 ZINC000091969516 180294589 /nfs/dbraw/zinc/29/45/89/180294589.db2.gz RRMVCLIEPMBQMF-CHWSQXEVSA-N 0 3 253.390 2.055 10 0 CEAEHN CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)nc1CNC ZINC000091994298 180300976 /nfs/dbraw/zinc/30/09/76/180300976.db2.gz DRZGBDWPWFEKLH-DGCLKSJQSA-N 0 3 293.411 2.182 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)nc1CNC ZINC000091994299 180301452 /nfs/dbraw/zinc/30/14/52/180301452.db2.gz DRZGBDWPWFEKLH-WCQYABFASA-N 0 3 293.411 2.182 10 0 CEAEHN CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)nc1CNC ZINC000091994300 180301484 /nfs/dbraw/zinc/30/14/84/180301484.db2.gz DRZGBDWPWFEKLH-YPMHNXCESA-N 0 3 293.411 2.182 10 0 CEAEHN CCNCc1nc(C)ccc1OCc1ccncc1 ZINC000091994902 180301557 /nfs/dbraw/zinc/30/15/57/180301557.db2.gz VFKQUBFWODUWDO-UHFFFAOYSA-N 0 3 257.337 2.474 10 0 CEAEHN Cc1ccc(OC2CCOCC2)c(CNC(C)C)n1 ZINC000091995356 180302175 /nfs/dbraw/zinc/30/21/75/180302175.db2.gz FQSCTGQVROQYQP-UHFFFAOYSA-N 0 3 264.369 2.446 10 0 CEAEHN COC(=O)CCCOc1ccc(C)nc1CNC(C)C ZINC000091995375 180302187 /nfs/dbraw/zinc/30/21/87/180302187.db2.gz DIXFZKPIMZILEL-UHFFFAOYSA-N 0 3 280.368 2.220 10 0 CEAEHN CCCNCc1nc(C)ccc1OCCCC(=O)N(C)C ZINC000091995201 180302542 /nfs/dbraw/zinc/30/25/42/180302542.db2.gz PLAHUBBSNBARFP-UHFFFAOYSA-N 0 3 293.411 2.137 10 0 CEAEHN Cc1ccc(NC(=O)CN2C[C@H](C)[C@H](C)C2)c(N)c1 ZINC000092081306 180319518 /nfs/dbraw/zinc/31/95/18/180319518.db2.gz OMLKLTLPGLMKIC-TXEJJXNPSA-N 0 3 261.369 2.104 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccc1N)N1C[C@H](C)[C@H](C)C1 ZINC000092081458 180319638 /nfs/dbraw/zinc/31/96/38/180319638.db2.gz DYXOEMZFTBTZIA-TUAOUCFPSA-N 0 3 261.369 2.184 10 0 CEAEHN CC(=O)[C@@H]1CCCN(C[C@@H]2COc3ccccc32)C1 ZINC000092301864 180359523 /nfs/dbraw/zinc/35/95/23/180359523.db2.gz IFJOOZWJGVPPFF-ZIAGYGMSSA-N 0 3 259.349 2.464 10 0 CEAEHN CC[C@@H]1CN(CCOCCC(C)C)CCN1CCOC ZINC000105914429 186088858 /nfs/dbraw/zinc/08/88/58/186088858.db2.gz ITGAJNKWLUDARW-MRXNPFEDSA-N 0 3 286.460 2.092 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCN(C(C)C)C1 ZINC000092326441 180363075 /nfs/dbraw/zinc/36/30/75/180363075.db2.gz RHLZLNMNRAKOGX-ZWNOBZJWSA-N 0 3 251.374 2.425 10 0 CEAEHN COc1cc(OC)cc([C@H](CN)NCc2ccccc2)c1 ZINC000106024155 186098779 /nfs/dbraw/zinc/09/87/79/186098779.db2.gz GWAXBZYWMDNVRS-KRWDZBQOSA-N 0 3 286.375 2.493 10 0 CEAEHN COC(=O)CCNCc1cc(C)nc2ccccc12 ZINC000092345463 180366568 /nfs/dbraw/zinc/36/65/68/180366568.db2.gz ZWHLHZHLFPSIOR-UHFFFAOYSA-N 0 3 258.321 2.196 10 0 CEAEHN CN(C)C[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC000092366526 180368882 /nfs/dbraw/zinc/36/88/82/180368882.db2.gz JJRAKQQQKHHNOP-GFCCVEGCSA-N 0 3 253.777 2.261 10 0 CEAEHN Cc1ccnc(Cl)c1NC(=O)CNC(C)(C)C ZINC000092461473 180390476 /nfs/dbraw/zinc/39/04/76/180390476.db2.gz ZTEJPMHSVRIFQJ-UHFFFAOYSA-N 0 3 255.749 2.370 10 0 CEAEHN CNC(=O)[C@@H](C)NCc1c[nH]c2cc(Cl)ccc12 ZINC000108648258 186224770 /nfs/dbraw/zinc/22/47/70/186224770.db2.gz AELPNRXWIMWCDL-MRVPVSSYSA-N 0 3 265.744 2.045 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(C[C@H](C)CC)CC1 ZINC000109470213 186255368 /nfs/dbraw/zinc/25/53/68/186255368.db2.gz YVHZSAXIKLNGDC-CHWSQXEVSA-N 0 3 271.474 2.105 10 0 CEAEHN COc1ccc(CN[C@H]2CCN(C(C)C)C2)c(OC)c1 ZINC000109553934 186262529 /nfs/dbraw/zinc/26/25/29/186262529.db2.gz WUHFNBJKXQNCKQ-AWEZNQCLSA-N 0 3 278.396 2.276 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=S)NCc1cccs1 ZINC000109670904 186268485 /nfs/dbraw/zinc/26/84/85/186268485.db2.gz UZSYWYBSWHZYSO-LLVKDONJSA-N 0 3 283.466 2.149 10 0 CEAEHN CC[C@@H](C(N)=S)N1CCN(Cc2cccc(C)c2)CC1 ZINC000109469795 186253685 /nfs/dbraw/zinc/25/36/85/186253685.db2.gz MMARKOIBGWLALA-HNNXBMFYSA-N 0 3 291.464 2.177 10 0 CEAEHN CCCC[C@@H](CC)CN1CCN([C@H](C)C(N)=S)CC1 ZINC000109468030 186253990 /nfs/dbraw/zinc/25/39/90/186253990.db2.gz PMIYMICFJKTODM-ZIAGYGMSSA-N 0 3 285.501 2.495 10 0 CEAEHN CCc1nc(N2CC[C@@H](N3CCCCC3)C2)sc1CO ZINC000110276277 186289905 /nfs/dbraw/zinc/28/99/05/186289905.db2.gz QXUPECANUCOJEH-GFCCVEGCSA-N 0 3 295.452 2.262 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OC[C@@H]1CNC(=O)O1 ZINC000110960798 186337450 /nfs/dbraw/zinc/33/74/50/186337450.db2.gz YNOSAQHZZCKBQV-RYUDHWBXSA-N 0 3 278.352 2.153 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OCCS(=O)(=O)CC ZINC000110961398 186338099 /nfs/dbraw/zinc/33/80/99/186338099.db2.gz LDSYWYFZKYRGHM-ZDUSSCGKSA-N 0 3 299.436 2.479 10 0 CEAEHN CCN1CCN(Cc2cc(N)ccc2Cl)C[C@@H]1C ZINC000110702303 186313810 /nfs/dbraw/zinc/31/38/10/186313810.db2.gz KJJNFIWGLJSBFY-NSHDSACASA-N 0 3 267.804 2.448 10 0 CEAEHN CN1CCN(CCCOc2ccccc2N)CC1(C)C ZINC000110704452 186314624 /nfs/dbraw/zinc/31/46/24/186314624.db2.gz DWANUSTZNVKLJZ-UHFFFAOYSA-N 0 3 277.412 2.064 10 0 CEAEHN CC[C@H]1CN([C@@H]2CCc3ccccc3[C@@H]2O)CCN1C ZINC000110735972 186316961 /nfs/dbraw/zinc/31/69/61/186316961.db2.gz PYVMNQWMEXSZFJ-UAGQMJEPSA-N 0 3 274.408 2.061 10 0 CEAEHN COc1ccc([C@@H](C)O)cc1CN1CCN(C)C(C)(C)C1 ZINC000110736330 186317656 /nfs/dbraw/zinc/31/76/56/186317656.db2.gz BZFKVWSLUIAQTI-CYBMUJFWSA-N 0 3 292.423 2.275 10 0 CEAEHN CC[C@@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2O)CCN1C ZINC000110736195 186317869 /nfs/dbraw/zinc/31/78/69/186317869.db2.gz JCQOGDHRRNOYFU-NXHRZFHOSA-N 0 3 288.435 2.451 10 0 CEAEHN CCOc1ccc([C@H](O)CN2CCN(C)C(C)(C)C2)cc1 ZINC000110736627 186319430 /nfs/dbraw/zinc/31/94/30/186319430.db2.gz QDSSSHRYIXMAFD-MRXNPFEDSA-N 0 3 292.423 2.145 10 0 CEAEHN CCN1CCN(c2nc(C)c(CNC3CC3)s2)C[C@@H]1C ZINC000110760152 186322589 /nfs/dbraw/zinc/32/25/89/186322589.db2.gz NELUCUISXKMAJB-NSHDSACASA-N 0 3 294.468 2.234 10 0 CEAEHN CCCOCCOC[C@@H](N)c1ccccc1OC ZINC000111107837 186352838 /nfs/dbraw/zinc/35/28/38/186352838.db2.gz SXLCDJGJYWZCRD-CYBMUJFWSA-N 0 3 253.342 2.138 10 0 CEAEHN CCCOCCOC[C@@H](NC)c1ccc(OC)c(OC)c1 ZINC000111107891 186353109 /nfs/dbraw/zinc/35/31/09/186353109.db2.gz XYUXISPWDHXQKL-CQSZACIVSA-N 0 3 297.395 2.408 10 0 CEAEHN CCN(CC)[C@@H](CNCC(OC)OC)c1ccccc1 ZINC000111111680 186353756 /nfs/dbraw/zinc/35/37/56/186353756.db2.gz XYKOLSVZXMGGNN-HNNXBMFYSA-N 0 3 280.412 2.278 10 0 CEAEHN CCCOCCOC[C@H](NC)c1ccc(OC)cc1OC ZINC000111108187 186353822 /nfs/dbraw/zinc/35/38/22/186353822.db2.gz OOMQWVQJZVIZSM-HNNXBMFYSA-N 0 3 297.395 2.408 10 0 CEAEHN CCOCCN(CC)C[C@@H]1CNc2ccccc2O1 ZINC000111125448 186354859 /nfs/dbraw/zinc/35/48/59/186354859.db2.gz HJHLIVDSPRXZTQ-ZDUSSCGKSA-N 0 3 264.369 2.218 10 0 CEAEHN CCOCCN(CC)C[C@@H](O)c1ccc(OC)cc1 ZINC000111121471 186354968 /nfs/dbraw/zinc/35/49/68/186354968.db2.gz KCJGWHURMXZTEQ-OAHLLOKOSA-N 0 3 267.369 2.087 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1ccc(OC)c(OC)c1 ZINC000111117322 186355114 /nfs/dbraw/zinc/35/51/14/186355114.db2.gz HJYANTDZGTYAAT-CQSZACIVSA-N 0 3 296.411 2.062 10 0 CEAEHN CN(CC1CCOCC1)c1nc2c(s1)[C@H](N)CCC2 ZINC000111177180 186365222 /nfs/dbraw/zinc/36/52/22/186365222.db2.gz VUPMDYQXMUVGBT-LLVKDONJSA-N 0 3 281.425 2.342 10 0 CEAEHN C[C@@]1(NC[C@@H]2CCCc3ccccc32)CCS(=O)(=O)C1 ZINC000111342356 186402531 /nfs/dbraw/zinc/40/25/31/186402531.db2.gz IHEMYSCOWKRPIL-GOEBONIOSA-N 0 3 293.432 2.273 10 0 CEAEHN C[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(CN)cn1 ZINC000111282444 186389486 /nfs/dbraw/zinc/38/94/86/186389486.db2.gz KYFALUSONVANAG-NSHDSACASA-N 0 3 287.338 2.040 10 0 CEAEHN CC(C)c1c(Cl)ncnc1N[C@H]1CCN(C)C1 ZINC000111297335 186392490 /nfs/dbraw/zinc/39/24/90/186392490.db2.gz PMSPKGHGWQWCEO-VIFPVBQESA-N 0 3 254.765 2.369 10 0 CEAEHN CCC[C@H](C(=O)NCc1ncc(CC)s1)N(C)C ZINC000121906504 187004399 /nfs/dbraw/zinc/00/43/99/187004399.db2.gz FTDYNNMMUOAXPP-LLVKDONJSA-N 0 3 269.414 2.052 10 0 CEAEHN Cc1ccc(CCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000123767051 187107762 /nfs/dbraw/zinc/10/77/62/187107762.db2.gz AJYSNWPKYYWHTO-OAHLLOKOSA-N 0 3 260.381 2.090 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H]2CCc3cc(F)ccc32)C1 ZINC000252740380 539897251 /nfs/dbraw/zinc/89/72/51/539897251.db2.gz JGLWXVPGKKGILB-HOCLYGCPSA-N 0 3 278.371 2.123 10 0 CEAEHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250647105 539967165 /nfs/dbraw/zinc/96/71/65/539967165.db2.gz MOEMFCPGSTZZTL-YVSFHVDLSA-N 0 3 284.403 2.423 10 0 CEAEHN Cc1cccc(C)c1CN1CCC[C@@H]1C(=O)N(C)C ZINC000154137738 188125338 /nfs/dbraw/zinc/12/53/38/188125338.db2.gz XWDBYYIDRTWVQZ-OAHLLOKOSA-N 0 3 260.381 2.356 10 0 CEAEHN CCC[C@@H](C(=O)N1CCO[C@@H](c2ccsc2)C1)N(C)C ZINC000154273259 188132562 /nfs/dbraw/zinc/13/25/62/188132562.db2.gz MPRNKEKBWQOCJT-UONOGXRCSA-N 0 3 296.436 2.378 10 0 CEAEHN CN(CCOCc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000154429686 188141046 /nfs/dbraw/zinc/14/10/46/188141046.db2.gz TUVYLKLTFCAZBD-MRXNPFEDSA-N 0 3 295.423 2.311 10 0 CEAEHN Cc1nc(C)c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000155313188 188198362 /nfs/dbraw/zinc/19/83/62/188198362.db2.gz OJHYWFHRFOQHIN-JOYOIKCWSA-N 0 3 281.425 2.218 10 0 CEAEHN CCC[C@@H](C(=O)N1CCC[C@@H](n2cc(C)cn2)C1)N(C)C ZINC000155640484 188218317 /nfs/dbraw/zinc/21/83/17/188218317.db2.gz DIGPHQMBGXTFOC-CABCVRRESA-N 0 3 292.427 2.085 10 0 CEAEHN COc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000155686891 188221327 /nfs/dbraw/zinc/22/13/27/188221327.db2.gz VRUCMJHVIYDFLZ-WFASDCNBSA-N 0 3 276.380 2.154 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC000155362604 188200885 /nfs/dbraw/zinc/20/08/85/188200885.db2.gz FJSYZPQLHZBUNA-CJNGLKHVSA-N 0 3 289.423 2.211 10 0 CEAEHN CSc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)o1 ZINC000155371016 188201885 /nfs/dbraw/zinc/20/18/85/188201885.db2.gz JRXCQFURWSMNHQ-MNOVXSKESA-N 0 3 282.409 2.460 10 0 CEAEHN CC(C)[C@@H](CO)NC[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000156400813 188260324 /nfs/dbraw/zinc/26/03/24/188260324.db2.gz YVFBFMVCBPQBQY-UKRRQHHQSA-N 0 3 296.798 2.440 10 0 CEAEHN CC(C)c1ccc(CN(C)C(=O)C2(N)CCOCC2)cc1 ZINC000132169793 366122801 /nfs/dbraw/zinc/12/28/01/366122801.db2.gz ZJCNPCLPNWIIQQ-UHFFFAOYSA-N 0 3 290.407 2.276 10 0 CEAEHN C[C@H](C[C@H]1COCCN1)N[C@H](C)c1cc(F)ccc1F ZINC000252972147 540011690 /nfs/dbraw/zinc/01/16/90/540011690.db2.gz YYSXJAJBJREJRL-WZRBSPASSA-N 0 3 284.350 2.382 10 0 CEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)[C@H](CC)CO1 ZINC000403935020 540117848 /nfs/dbraw/zinc/11/78/48/540117848.db2.gz LTOHGVIMZWXQLI-APIJFGDWSA-N 0 3 255.402 2.427 10 0 CEAEHN CCN(C(=O)[C@@H](C)NC)[C@H](C)c1ccc(F)cc1 ZINC000054075260 540200622 /nfs/dbraw/zinc/20/06/22/540200622.db2.gz LJUQVHJVVHKKGI-GHMZBOCLSA-N 0 3 252.333 2.343 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)c1ncc(C)s1)N(C)C ZINC000133703670 366249479 /nfs/dbraw/zinc/24/94/79/366249479.db2.gz FLVXELQJNHSMHG-WDEREUQCSA-N 0 3 269.414 2.359 10 0 CEAEHN COc1c(CNCCc2ccsc2)c(C)nn1C ZINC000134115598 366287882 /nfs/dbraw/zinc/28/78/82/366287882.db2.gz JYIMTHMLTYSSPC-UHFFFAOYSA-N 0 3 265.382 2.131 10 0 CEAEHN COc1c(CNCCc2cccc(C)c2)c(C)nn1C ZINC000134160212 366292822 /nfs/dbraw/zinc/29/28/22/366292822.db2.gz VUMHRJVLBKIIIU-UHFFFAOYSA-N 0 3 273.380 2.378 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@]2(CC1)NCCS2 ZINC000575572458 366296029 /nfs/dbraw/zinc/29/60/29/366296029.db2.gz VULFDIKRFFNVSB-ZDUSSCGKSA-N 0 3 272.414 2.440 10 0 CEAEHN N[C@@]1(c2cnsc2)CCN(Cc2ccccc2)C1 ZINC000575558371 366296141 /nfs/dbraw/zinc/29/61/41/366296141.db2.gz CQRDTBVEDCZFRR-AWEZNQCLSA-N 0 3 259.378 2.203 10 0 CEAEHN C[C@H]([NH3+])CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000167439177 540392248 /nfs/dbraw/zinc/39/22/48/540392248.db2.gz MLWGOYCEGMKURT-LURJTMIESA-N 0 3 262.231 2.087 10 0 CEAEHN CCC[C@@H](N)C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000236952100 370664676 /nfs/dbraw/zinc/66/46/76/370664676.db2.gz CBVAJYZQEKWMHC-UKRRQHHQSA-N 0 3 278.396 2.083 10 0 CEAEHN C[C@]1(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CCCCN1 ZINC000136139136 366498081 /nfs/dbraw/zinc/49/80/81/366498081.db2.gz YPBJAFOQROQHGE-ZYHUDNBSSA-N 0 3 278.318 2.320 10 0 CEAEHN O[C@]12CCCC[C@@H]1CN(Cc1cnc3ccccn13)CC2 ZINC000140432099 366560336 /nfs/dbraw/zinc/56/03/36/366560336.db2.gz RKACTEMXZVYXCD-PBHICJAKSA-N 0 3 285.391 2.461 10 0 CEAEHN NC(=O)C[C@H](N[C@H]1CCN(C2CC2)C1=O)C1CCCCC1 ZINC000329439294 202335644 /nfs/dbraw/zinc/33/56/44/202335644.db2.gz MOGBNIRYSHONBI-KBPBESRZSA-N 0 3 293.411 2.214 10 0 CEAEHN C[C@H](NC[C@H](O)CN1CCCCC1)c1cccnc1Cl ZINC000151277525 366636198 /nfs/dbraw/zinc/63/61/98/366636198.db2.gz BWCJZAWATYGCLA-STQMWFEESA-N 0 3 297.830 2.232 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC000177021206 189021260 /nfs/dbraw/zinc/02/12/60/189021260.db2.gz IBELWNBRYBHCPL-LBPRGKRZSA-N 0 3 278.400 2.089 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC000177038739 189023750 /nfs/dbraw/zinc/02/37/50/189023750.db2.gz WPHCJVRCZFAFJI-CQSZACIVSA-N 0 3 276.380 2.252 10 0 CEAEHN C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000177242173 189038957 /nfs/dbraw/zinc/03/89/57/189038957.db2.gz IBPKVGWZYCVLAO-CJNGLKHVSA-N 0 3 294.826 2.493 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000177423064 189050318 /nfs/dbraw/zinc/05/03/18/189050318.db2.gz DFXRPLDPLVXNAP-INIZCTEOSA-N 0 3 289.423 2.309 10 0 CEAEHN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H]1Cn1ccnc1 ZINC000177765338 189067701 /nfs/dbraw/zinc/06/77/01/189067701.db2.gz MILPAXOMGMGWDW-GFCCVEGCSA-N 0 3 295.346 2.064 10 0 CEAEHN CSC[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000152019849 366682931 /nfs/dbraw/zinc/68/29/31/366682931.db2.gz CAPQIVSKQSNJQC-OCCSQVGLSA-N 0 3 295.452 2.340 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc([C@H](C)O)cc1)N(C)C ZINC000179599528 189206334 /nfs/dbraw/zinc/20/63/34/189206334.db2.gz XELFMROXEKKKOX-SWLSCSKDSA-N 0 3 278.396 2.086 10 0 CEAEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc2ccccc2n1 ZINC000180490479 189258187 /nfs/dbraw/zinc/25/81/87/189258187.db2.gz PGVNADQWMNPOGX-UKRRQHHQSA-N 0 3 285.391 2.216 10 0 CEAEHN CCc1ccc([C@H](C)N[C@@H]2CCc3ncnn3C2)o1 ZINC000180597858 189264696 /nfs/dbraw/zinc/26/46/96/189264696.db2.gz RFOPSLCIFJIKPX-WDEREUQCSA-N 0 3 260.341 2.099 10 0 CEAEHN CNCC(=O)c1c[nH]c2c1cccc2Br ZINC000082326980 363765233 /nfs/dbraw/zinc/76/52/33/363765233.db2.gz UODKIMXODQUSRY-UHFFFAOYSA-N 0 3 267.126 2.333 10 0 CEAEHN O[C@H](CCc1ccccc1)CN1CCN2CCCC[C@@H]2C1 ZINC000182525841 189326862 /nfs/dbraw/zinc/32/68/62/189326862.db2.gz UPVPUUNTPLKWQS-QZTJIDSGSA-N 0 3 288.435 2.150 10 0 CEAEHN CCC(CC)(CC)CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000154702977 366785305 /nfs/dbraw/zinc/78/53/05/366785305.db2.gz TYCLPPKLMLQPOU-CQSZACIVSA-N 0 3 299.459 2.175 10 0 CEAEHN Cc1ccoc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000155318760 366814269 /nfs/dbraw/zinc/81/42/69/366814269.db2.gz NUUWKNSSIFEBDC-NWDGAFQWSA-N 0 3 250.342 2.047 10 0 CEAEHN CC(C)Oc1ncccc1CN[C@@H]1CCCC[C@H]1O ZINC000048760608 541087809 /nfs/dbraw/zinc/08/78/09/541087809.db2.gz UKKJKWFEECORTE-ZIAGYGMSSA-N 0 3 264.369 2.262 10 0 CEAEHN CCN1CCc2[nH]nc(-c3ccc(OC)cc3)c2C1 ZINC000027998496 361664902 /nfs/dbraw/zinc/66/49/02/361664902.db2.gz DBNFQONRQOSGSQ-UHFFFAOYSA-N 0 3 257.337 2.463 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1ccc(Br)o1 ZINC000084229566 363803254 /nfs/dbraw/zinc/80/32/54/363803254.db2.gz HGUAJJJEPUYYTA-PSASIEDQSA-N 0 3 274.158 2.293 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1cc(F)c(F)c(F)c1 ZINC000089151261 363938495 /nfs/dbraw/zinc/93/84/95/363938495.db2.gz NTVNDUZYKGOXBB-CABZTGNLSA-N 0 3 259.271 2.355 10 0 CEAEHN CCc1nn(C)c(CC)c1CN1CCN2CCCC[C@@H]2C1 ZINC000092616270 364087900 /nfs/dbraw/zinc/08/79/00/364087900.db2.gz YHZKNBVJSQPRJH-CQSZACIVSA-N 0 3 290.455 2.215 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc(Cn3cccn3)cc2)CCCCN1 ZINC000237609307 370737365 /nfs/dbraw/zinc/73/73/65/370737365.db2.gz LCEQJFHFMKFMSC-QGZVFWFLSA-N 0 3 298.390 2.402 10 0 CEAEHN C[C@@](O)(CN1CCN2CCCC[C@@H]2C1)c1ccccc1 ZINC000093952479 364243773 /nfs/dbraw/zinc/24/37/73/364243773.db2.gz VDOVNDXQHKMBAO-IAGOWNOFSA-N 0 3 274.408 2.064 10 0 CEAEHN COC(=O)CC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000095076161 364333027 /nfs/dbraw/zinc/33/30/27/364333027.db2.gz DOXXIBKQYCXQPP-UHFFFAOYSA-N 0 3 275.348 2.031 10 0 CEAEHN CC(C)CCO[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158986879 366865295 /nfs/dbraw/zinc/86/52/95/366865295.db2.gz UHBNLBDQRBOZBY-KFWWJZLASA-N 0 3 284.444 2.283 10 0 CEAEHN CCc1ccc([C@H](CNC(=O)[C@@H](C)COC)N(C)C)cc1 ZINC000103428382 364651583 /nfs/dbraw/zinc/65/15/83/364651583.db2.gz ULANCMCYLOJJLB-BBRMVZONSA-N 0 3 292.423 2.250 10 0 CEAEHN COc1cccc(CN[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000105905287 364703240 /nfs/dbraw/zinc/70/32/40/364703240.db2.gz COBUKSGRIVZMPO-OAHLLOKOSA-N 0 3 298.390 2.244 10 0 CEAEHN CN(C)C[C@H]1CN(c2ccnc3ccccc32)CCO1 ZINC000110586218 364722336 /nfs/dbraw/zinc/72/23/36/364722336.db2.gz HMUXNUPRYWFOMP-ZDUSSCGKSA-N 0 3 271.364 2.002 10 0 CEAEHN COC[C@@H]1CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000113595859 364907293 /nfs/dbraw/zinc/90/72/93/364907293.db2.gz MABHSQOHCVWSBR-HUUCEWRRSA-N 0 3 299.459 2.031 10 0 CEAEHN CCCC[C@@H](CC)CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117261650 365099181 /nfs/dbraw/zinc/09/91/81/365099181.db2.gz AWHVLVRURNOHBJ-CABCVRRESA-N 0 3 284.444 2.382 10 0 CEAEHN c1ncn([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000119512304 365284106 /nfs/dbraw/zinc/28/41/06/365284106.db2.gz ROIJILKCCZKHQJ-MRXNPFEDSA-N 0 3 296.374 2.391 10 0 CEAEHN CC[C@H]1CN(Cc2sccc2C)CCN1C[C@@H](C)O ZINC000120715129 365464070 /nfs/dbraw/zinc/46/40/70/365464070.db2.gz JBAPXTGXYOESHN-KGLIPLIRSA-N 0 3 282.453 2.334 10 0 CEAEHN COc1cc([C@H](C)N[C@@H]2C[C@H]2C)ccc1S(C)(=O)=O ZINC000120470413 365429485 /nfs/dbraw/zinc/42/94/85/365429485.db2.gz PKCFTNIGVGPUPX-JFGNBEQYSA-N 0 3 283.393 2.158 10 0 CEAEHN COc1cc([C@H](C)N[C@H]2C[C@@H]2C)ccc1S(C)(=O)=O ZINC000120470263 365429581 /nfs/dbraw/zinc/42/95/81/365429581.db2.gz PKCFTNIGVGPUPX-NHCYSSNCSA-N 0 3 283.393 2.158 10 0 CEAEHN C[C@@H]1CCN(C)CCN1C(=O)N[C@H]1CCC12CCCC2 ZINC000336124137 365442373 /nfs/dbraw/zinc/44/23/73/365442373.db2.gz DJVLBQKUXXDZFT-KGLIPLIRSA-N 0 3 279.428 2.445 10 0 CEAEHN CCCSCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000120966561 365503584 /nfs/dbraw/zinc/50/35/84/365503584.db2.gz OBZVBUMTMWVJBE-GFCCVEGCSA-N 0 3 260.447 2.222 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H](OC)C(C)(C)C ZINC000245428288 370818423 /nfs/dbraw/zinc/81/84/23/370818423.db2.gz XALUSNGRLOUBNY-ZIAGYGMSSA-N 0 3 299.459 2.173 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCSc2ccccc2)C1 ZINC000170826681 367426583 /nfs/dbraw/zinc/42/65/83/367426583.db2.gz ZIDYPDSBFQQCKE-ZDUSSCGKSA-N 0 3 293.436 2.124 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000170863329 367434594 /nfs/dbraw/zinc/43/45/94/367434594.db2.gz XLOPKOSAZVNRLJ-JTQLQIEISA-N 0 3 284.762 2.184 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCCOc2ccccc2)C1 ZINC000170862387 367434766 /nfs/dbraw/zinc/43/47/66/367434766.db2.gz BKKMRAVRODZQCH-AWEZNQCLSA-N 0 3 276.380 2.008 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000170864485 367436164 /nfs/dbraw/zinc/43/61/64/367436164.db2.gz VXRMUFCZNMAZDQ-CYBMUJFWSA-N 0 3 269.348 2.011 10 0 CEAEHN Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1Cl ZINC000171302963 367518761 /nfs/dbraw/zinc/51/87/61/367518761.db2.gz VQLWJKBNNYMERC-LBPRGKRZSA-N 0 3 266.772 2.425 10 0 CEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000245857920 370880333 /nfs/dbraw/zinc/88/03/33/370880333.db2.gz NYOAIXMZKAQFFL-YCPHGPKFSA-N 0 3 290.407 2.191 10 0 CEAEHN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccs1 ZINC000172604092 367786450 /nfs/dbraw/zinc/78/64/50/367786450.db2.gz HUFJMKBWYQYBJL-NXEZZACHSA-N 0 3 283.397 2.021 10 0 CEAEHN CC(C)NC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000172604096 367786694 /nfs/dbraw/zinc/78/66/94/367786694.db2.gz HUFJMKBWYQYBJL-ZJUUUORDSA-N 0 3 283.397 2.021 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000172870923 367831868 /nfs/dbraw/zinc/83/18/68/367831868.db2.gz DKYAFTAGBYBYID-WOPDTQHZSA-N 0 3 282.409 2.082 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1cccs1 ZINC000173422433 367909008 /nfs/dbraw/zinc/90/90/08/367909008.db2.gz XUKMWNRSQZCKMW-OLZOCXBDSA-N 0 3 291.420 2.465 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cccnc1OC ZINC000176304409 368222439 /nfs/dbraw/zinc/22/24/39/368222439.db2.gz XMGWIOTZTRAQSO-LBPRGKRZSA-N 0 3 292.383 2.038 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cccs1 ZINC000176367640 368230484 /nfs/dbraw/zinc/23/04/84/368230484.db2.gz QRYKZVVZXSHEQN-LBPRGKRZSA-N 0 3 281.425 2.374 10 0 CEAEHN CCc1onc(C)c1NC(=O)N[C@H]1CCCN(CC)C1 ZINC000179030999 368319813 /nfs/dbraw/zinc/31/98/13/368319813.db2.gz IZKXEUNIGMFXFT-NSHDSACASA-N 0 3 280.372 2.151 10 0 CEAEHN CCc1cc(C)c(C(=O)N2CCN3CCC[C@H]3C2)o1 ZINC000178576918 368303924 /nfs/dbraw/zinc/30/39/24/368303924.db2.gz IJPAROIUEMMTCP-LBPRGKRZSA-N 0 3 262.353 2.071 10 0 CEAEHN C[C@H](NC[C@@H](O)COC(C)(C)C)c1cccc(O)c1 ZINC000181575345 368471811 /nfs/dbraw/zinc/47/18/11/368471811.db2.gz XPSRQPWIHNPVOL-SMDDNHRTSA-N 0 3 267.369 2.219 10 0 CEAEHN C[C@@H](NCC[C@H]1CCOC1=O)c1ccc2c(c1)OCCO2 ZINC000181752848 368492125 /nfs/dbraw/zinc/49/21/25/368492125.db2.gz XKFUANIUKDGTBQ-NEPJUHHUSA-N 0 3 291.347 2.062 10 0 CEAEHN Cc1ccc(CCCN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1 ZINC000181815457 368497404 /nfs/dbraw/zinc/49/74/04/368497404.db2.gz GPZIPUAOCLVCQG-IAGOWNOFSA-N 0 3 290.451 2.315 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCC2(OC)CCCCC2)C1 ZINC000184679546 368710904 /nfs/dbraw/zinc/71/09/04/368710904.db2.gz WZEATCHRPFXTOQ-AWEZNQCLSA-N 0 3 297.443 2.119 10 0 CEAEHN Cc1cccc2c1ncc(C)c2N(C)CC(C)(CO)CO ZINC000185356694 368795758 /nfs/dbraw/zinc/79/57/58/368795758.db2.gz IKANHWSXBVHGMR-UHFFFAOYSA-N 0 3 288.391 2.279 10 0 CEAEHN CCC[C@@H](C(=O)N(C)CC1(O)CCCCCC1)N(C)C ZINC000186940977 369071555 /nfs/dbraw/zinc/07/15/55/369071555.db2.gz CRLCOPYACSJPDQ-AWEZNQCLSA-N 0 3 284.444 2.260 10 0 CEAEHN COc1cc(NC(=O)N2CC[C@@H](N(C)C)C2)ccc1F ZINC000187085894 369099299 /nfs/dbraw/zinc/09/92/99/369099299.db2.gz WVVGHAIPMXSBEM-LLVKDONJSA-N 0 3 281.331 2.002 10 0 CEAEHN C/C=C\C[C@@H](CO)NCc1cnc2c(cnn2C(C)C)c1 ZINC000349803213 369404266 /nfs/dbraw/zinc/40/42/66/369404266.db2.gz QJOXQEQHEYTHDE-XVWMLYKFSA-N 0 3 288.395 2.429 10 0 CEAEHN CC[C@@](C)(O)CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000189069680 369450836 /nfs/dbraw/zinc/45/08/36/369450836.db2.gz VJJVFUCZDUCFNS-KDOFPFPSSA-N 0 3 269.410 2.017 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCOC(C)C ZINC000249716017 284166910 /nfs/dbraw/zinc/16/69/10/284166910.db2.gz ILBFQTBZZBDVIU-MJBXVCDLSA-N 0 3 269.385 2.218 10 0 CEAEHN O=C1O[C@H](CN2CC[C@@]3(O)CCCC[C@H]3C2)CC12CCC2 ZINC000192075953 369770922 /nfs/dbraw/zinc/77/09/22/369770922.db2.gz URHJEEZENDTCRT-ZQIUZPCESA-N 0 3 293.407 2.099 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCOC(C)C ZINC000249716020 284189257 /nfs/dbraw/zinc/18/92/57/284189257.db2.gz ILBFQTBZZBDVIU-RDBSUJKOSA-N 0 3 269.385 2.218 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1ccc(OC)cc1 ZINC000193248224 369911651 /nfs/dbraw/zinc/91/16/51/369911651.db2.gz ZKIZCBKJMQDUKT-OAHLLOKOSA-N 0 3 281.396 2.305 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000193267558 369914695 /nfs/dbraw/zinc/91/46/95/369914695.db2.gz KUDNZBKGSSIAJR-ZBFHGGJFSA-N 0 3 290.407 2.083 10 0 CEAEHN Cc1ccc(CNC[C@H]2CN(C)CCO2)cc1Cl ZINC000193736533 369977705 /nfs/dbraw/zinc/97/77/05/369977705.db2.gz IIBJAOZFKGCIJY-ZDUSSCGKSA-N 0 3 268.788 2.069 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000638032795 370257008 /nfs/dbraw/zinc/25/70/08/370257008.db2.gz AXABAPRHBFTCGS-GHMZBOCLSA-N 0 3 252.333 2.309 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2ccccc2[nH]1 ZINC000246801483 371012214 /nfs/dbraw/zinc/01/22/14/371012214.db2.gz BUVVPNOBJFYXIM-JSGCOSHPSA-N 0 3 283.375 2.477 10 0 CEAEHN CSc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)o1 ZINC000246795443 371012533 /nfs/dbraw/zinc/01/25/33/371012533.db2.gz BRDVGCCXTVGUPX-MNOVXSKESA-N 0 3 280.393 2.310 10 0 CEAEHN Cc1noc(C)c1[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247462788 371109981 /nfs/dbraw/zinc/10/99/81/371109981.db2.gz QZCSMYXUALQCLB-SUNKGSAMSA-N 0 3 291.395 2.090 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)COc2ccccc2F)C1 ZINC000247469456 371112074 /nfs/dbraw/zinc/11/20/74/371112074.db2.gz VDSINUNPXWGLRR-GXTWGEPZSA-N 0 3 294.370 2.049 10 0 CEAEHN CCN1CCCC[C@H]1CNC(=O)N[C@H](C)C(C)C ZINC000247509111 371118726 /nfs/dbraw/zinc/11/87/26/371118726.db2.gz PFBAIEASUDBECT-OLZOCXBDSA-N 0 3 255.406 2.205 10 0 CEAEHN CO[C@H](C)CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000248440956 371195326 /nfs/dbraw/zinc/19/53/26/371195326.db2.gz UXPDKUZOUFGMMF-ZIAGYGMSSA-N 0 3 298.452 2.088 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(C[C@H]2CCC(C)(C)O2)C1 ZINC000248573273 371214580 /nfs/dbraw/zinc/21/45/80/371214580.db2.gz RZHDIFALQXFXMM-UONOGXRCSA-N 0 3 282.428 2.325 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCn3cccc3[C@H]2C)C1 ZINC000249756892 371359957 /nfs/dbraw/zinc/35/99/57/371359957.db2.gz IFOVKIMUKIZAFR-KGLIPLIRSA-N 0 3 290.411 2.059 10 0 CEAEHN CC[C@H](C)[C@@H](C)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000249762759 371360819 /nfs/dbraw/zinc/36/08/19/371360819.db2.gz HCVCJNFTMCZDGD-XQQFMLRXSA-N 0 3 255.406 2.205 10 0 CEAEHN CCOc1cc(CN2CCN3CCCC[C@H]3C2)ccc1O ZINC000250383745 371383612 /nfs/dbraw/zinc/38/36/12/371383612.db2.gz JHTNHQGNLRRVPB-HNNXBMFYSA-N 0 3 290.407 2.461 10 0 CEAEHN CCCCCS(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1CC ZINC000252830764 371481061 /nfs/dbraw/zinc/48/10/61/371481061.db2.gz RMUZWGQWEPHGCY-KGLIPLIRSA-N 0 3 288.457 2.065 10 0 CEAEHN CC(C)C1CCC(NC(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261777207 371728740 /nfs/dbraw/zinc/72/87/40/371728740.db2.gz FZKRBFCJDWUGJT-ZALBZXLWSA-N 0 3 282.428 2.071 10 0 CEAEHN COC(=O)[C@@H]1CCCCCC[C@H]1NCc1cnc(N)s1 ZINC000262060556 371815304 /nfs/dbraw/zinc/81/53/04/371815304.db2.gz RCKWYTNMTWCLMP-VXGBXAGGSA-N 0 3 297.424 2.327 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000262701059 371899002 /nfs/dbraw/zinc/89/90/02/371899002.db2.gz ICPZUOCBFXMOQX-WDMOLILDSA-N 0 3 266.385 2.399 10 0 CEAEHN CCCc1cc(N2CCO[C@@H](CO)C2)c2ccccc2n1 ZINC000269724172 372548774 /nfs/dbraw/zinc/54/87/74/372548774.db2.gz CVQGUDFDMHOBEN-CQSZACIVSA-N 0 3 286.375 2.385 10 0 CEAEHN CCc1ncnc(N[C@@H]2CN(C(C)C)C[C@H]2C)c1F ZINC000271083719 373109959 /nfs/dbraw/zinc/10/99/59/373109959.db2.gz IJWRXIMTCPHWRU-ZYHUDNBSSA-N 0 3 266.364 2.319 10 0 CEAEHN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CNCCOC1 ZINC000643633599 373226595 /nfs/dbraw/zinc/22/65/95/373226595.db2.gz NDPDYRLCNFANQJ-AAEUAGOBSA-N 0 3 296.798 2.095 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CNCCC1(F)F ZINC000644089399 373401163 /nfs/dbraw/zinc/40/11/63/373401163.db2.gz IWYWKAGPQGSRHA-AAEUAGOBSA-N 0 3 282.334 2.417 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(CC)CCC(F)(F)F ZINC000645815067 374204015 /nfs/dbraw/zinc/20/40/15/374204015.db2.gz YYDRCDBHLDBGRD-RKDXNWHRSA-N 0 3 254.296 2.161 10 0 CEAEHN COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)cc1Cl ZINC000282187983 375423130 /nfs/dbraw/zinc/42/31/30/375423130.db2.gz BTKAMQDNNCENSI-JOYOIKCWSA-N 0 3 282.771 2.105 10 0 CEAEHN CCCOc1cccc(CN[C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282205206 375427755 /nfs/dbraw/zinc/42/77/55/375427755.db2.gz CXJPLZNZTNHFQH-WFASDCNBSA-N 0 3 276.380 2.232 10 0 CEAEHN Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2C)c(C)s1 ZINC000282301669 375453695 /nfs/dbraw/zinc/45/36/95/375453695.db2.gz JULNMGPMHWRWHT-JOYOIKCWSA-N 0 3 252.383 2.122 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(Br)cc1 ZINC000282389897 375472469 /nfs/dbraw/zinc/47/24/69/375472469.db2.gz OXJHALXKMZVTLN-JOYOIKCWSA-N 0 3 297.196 2.206 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1ccc(F)cc1F ZINC000282460342 375489643 /nfs/dbraw/zinc/48/96/43/375489643.db2.gz TWKIKUBRHVZMLD-RWEMILLDSA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccccc1Cl ZINC000282471611 375493028 /nfs/dbraw/zinc/49/30/28/375493028.db2.gz UTSDMBXTNCMHAU-BXKDBHETSA-N 0 3 252.745 2.097 10 0 CEAEHN CC(C)Oc1cccc(CN[C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282516119 375505778 /nfs/dbraw/zinc/50/57/78/375505778.db2.gz XWTQOZUHKYPWLT-WFASDCNBSA-N 0 3 276.380 2.231 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000174191329 249326355 /nfs/dbraw/zinc/32/63/55/249326355.db2.gz JSEYLUOLHSZCKH-NSHDSACASA-N 0 3 283.334 2.437 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C\c2cccc(O)c2)C1 ZINC000492746803 380674841 /nfs/dbraw/zinc/67/48/41/380674841.db2.gz BUOLFRJGJMQEQZ-CKXPSTMWSA-N 0 3 274.364 2.006 10 0 CEAEHN COc1cc(OC)c(CN[C@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000037163957 542278651 /nfs/dbraw/zinc/27/86/51/542278651.db2.gz BOAZBJFOMVFBNQ-NWDGAFQWSA-N 0 3 295.379 2.106 10 0 CEAEHN C[C@@H](NCC(=O)N(C)CC1CCCCC1)[C@@H]1CCCO1 ZINC000183109726 542287500 /nfs/dbraw/zinc/28/75/00/542287500.db2.gz PDQLTLPHUDSPMI-HIFRSBDPSA-N 0 3 282.428 2.182 10 0 CEAEHN CNC(=O)[C@H](NCCOc1ccc(SC)cc1)C(C)C ZINC000183657581 542293728 /nfs/dbraw/zinc/29/37/28/542293728.db2.gz SQEZBKJUNLMDGK-CQSZACIVSA-N 0 3 296.436 2.148 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCCO3)N1 ZINC000019432112 184534545 /nfs/dbraw/zinc/53/45/45/184534545.db2.gz HQKAFAVKNUXKNL-YPMHNXCESA-N 0 3 290.363 2.317 10 0 CEAEHN Cc1ccc(SCC(=O)N2CCCNCC2)cc1C ZINC000043402753 184557222 /nfs/dbraw/zinc/55/72/22/184557222.db2.gz RUTLYNBERVPWNU-UHFFFAOYSA-N 0 3 278.421 2.217 10 0 CEAEHN CCC(=O)Nc1cccc(NC(=O)[C@H](N)CC)c1C ZINC000037044768 184539206 /nfs/dbraw/zinc/53/92/06/184539206.db2.gz HNHYXXZXLKJGQH-SNVBAGLBSA-N 0 3 263.341 2.019 10 0 CEAEHN CN(Cc1cscn1)c1cccc(F)c1CN ZINC000093395388 184671322 /nfs/dbraw/zinc/67/13/22/184671322.db2.gz ICRWTMOXWLPWRN-UHFFFAOYSA-N 0 3 251.330 2.377 10 0 CEAEHN CCCN[C@H]1c2ccccc2C[C@H]1S(=O)(=O)CCC ZINC000081939524 177903717 /nfs/dbraw/zinc/90/37/17/177903717.db2.gz WYEHYQYSUMMMOI-CABCVRRESA-N 0 3 281.421 2.477 10 0 CEAEHN COc1ccc([C@@H](N)CSc2ncccn2)cc1 ZINC000081881988 177876543 /nfs/dbraw/zinc/87/65/43/177876543.db2.gz OLMSMZZQWOGGQX-LBPRGKRZSA-N 0 3 261.350 2.277 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1cc(OC)cc(OC)c1)C(F)(F)F ZINC000094651889 184834358 /nfs/dbraw/zinc/83/43/58/184834358.db2.gz JWOUIXOGHGTGSH-VXGBXAGGSA-N 0 3 293.285 2.191 10 0 CEAEHN CCC[C@](C)(N)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000262708605 131254571 /nfs/dbraw/zinc/25/45/71/131254571.db2.gz OBYBWYNJEDXUIV-BBRMVZONSA-N 0 3 295.427 2.296 10 0 CEAEHN O[C@H]1CCCC[C@H]1N1CCN(c2ccccc2)CC1 ZINC000028238024 134752056 /nfs/dbraw/zinc/75/20/56/134752056.db2.gz BAAMFQVLPJYVQQ-CVEARBPZSA-N 0 3 260.381 2.112 10 0 CEAEHN NC[C@](O)(CN1CCCc2ccccc21)c1ccccc1 ZINC000070521759 134952352 /nfs/dbraw/zinc/95/23/52/134952352.db2.gz OSHGSXZPXAAPPD-SFHVURJKSA-N 0 3 282.387 2.286 10 0 CEAEHN CC[C@H]1CNCCN1c1cc(C(F)(F)F)ccn1 ZINC000090804656 135065767 /nfs/dbraw/zinc/06/57/67/135065767.db2.gz FXVDDOWPYAEEEQ-JTQLQIEISA-N 0 3 259.275 2.289 10 0 CEAEHN CC(C)NCc1cncc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000091421865 135069875 /nfs/dbraw/zinc/06/98/75/135069875.db2.gz ULMLAGRMAABGRC-TXEJJXNPSA-N 0 3 280.441 2.305 10 0 CEAEHN O[C@H]1CCC[C@H]1CCN1CCN(c2ccccc2)CC1 ZINC000093584340 135081741 /nfs/dbraw/zinc/08/17/41/135081741.db2.gz GFVZILYFMGDYQF-RDJZCZTQSA-N 0 3 274.408 2.360 10 0 CEAEHN C[C@@H](NCCC(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000027209441 394479230 /nfs/dbraw/zinc/47/92/30/394479230.db2.gz GLMUEIOAUONCPL-MRVPVSSYSA-N 0 3 276.258 2.111 10 0 CEAEHN O=C(/C=C\c1ccc(Cl)nc1)N1CCN2CCC[C@H]2C1 ZINC000255893145 394592653 /nfs/dbraw/zinc/59/26/53/394592653.db2.gz GQTUNSUONWVEOX-AGLBCWCQSA-N 0 3 291.782 2.055 10 0 CEAEHN C[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)NCCS2 ZINC000306782387 394517758 /nfs/dbraw/zinc/51/77/58/394517758.db2.gz QOLFSTSVIVJBIZ-GWCFXTLKSA-N 0 3 272.414 2.439 10 0 CEAEHN C[C@@H]1CCC[C@@H](NC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247218912 394527717 /nfs/dbraw/zinc/52/77/17/394527717.db2.gz BNKJRFPXZMDIHW-MCIONIFRSA-N 0 3 265.401 2.055 10 0 CEAEHN CCOC(=O)[C@@H]1CCCN(C[C@](C)(O)c2ccccc2)C1 ZINC000051953706 394556922 /nfs/dbraw/zinc/55/69/22/394556922.db2.gz OCYDAJIDGPWTGV-PBHICJAKSA-N 0 3 291.391 2.169 10 0 CEAEHN CCC(CC)C[N@@H+]1CCC[C@@H](N(C)CC(=O)[O-])CC1 ZINC000263534671 394629183 /nfs/dbraw/zinc/62/91/83/394629183.db2.gz YOAJMPHJASNJKA-CQSZACIVSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC(CC)C[N@H+]1CCC[C@@H](N(C)CC(=O)[O-])CC1 ZINC000263534671 394629187 /nfs/dbraw/zinc/62/91/87/394629187.db2.gz YOAJMPHJASNJKA-CQSZACIVSA-N 0 3 270.417 2.294 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCC(C)CC2)[C@@H](C)C1 ZINC000131445360 394909839 /nfs/dbraw/zinc/90/98/39/394909839.db2.gz YNHFUXGOAOUKMO-KBPBESRZSA-N 0 3 267.417 2.157 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1cc(F)c(F)c(F)c1 ZINC000180602275 395205157 /nfs/dbraw/zinc/20/51/57/395205157.db2.gz RHAXNYXPDKAFLJ-WPRPVWTQSA-N 0 3 296.296 2.361 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC1(SC)CCC1 ZINC000195119287 395459779 /nfs/dbraw/zinc/45/97/79/395459779.db2.gz ISVIYSLCYFWVSV-ZDUSSCGKSA-N 0 3 299.484 2.398 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC1(SC)CC1 ZINC000195159807 395460776 /nfs/dbraw/zinc/46/07/76/395460776.db2.gz OBTJAEUCGWEGBR-GFCCVEGCSA-N 0 3 285.457 2.008 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000195188527 395461283 /nfs/dbraw/zinc/46/12/83/395461283.db2.gz UNQVVJNNFXXLSB-LSDHHAIUSA-N 0 3 281.400 2.114 10 0 CEAEHN CCCCOC[C@H](O)CN(C)CCc1ncc(C)s1 ZINC000195201008 395462187 /nfs/dbraw/zinc/46/21/87/395462187.db2.gz IPDVJQSPKCRFNH-CYBMUJFWSA-N 0 3 286.441 2.103 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)NC1CCC(OC(C)C)CC1 ZINC000649375519 396133074 /nfs/dbraw/zinc/13/30/74/396133074.db2.gz DQGGRWNCDCZYNT-JXQTWKCFSA-N 0 3 270.417 2.212 10 0 CEAEHN COc1c(CNC[C@H](C)CC(F)F)c(C)nn1C ZINC000647225343 396445320 /nfs/dbraw/zinc/44/53/20/396445320.db2.gz ACPCLTDVQUMAIP-MRVPVSSYSA-N 0 3 261.316 2.118 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037030929 400115068 /nfs/dbraw/zinc/11/50/68/400115068.db2.gz PAOBAFZPQIRFPD-XHDPSFHLSA-N 0 3 260.381 2.480 10 0 CEAEHN Cc1cc(OCCn2cc(CN)nn2)ccc1C(C)C ZINC000050224374 400238548 /nfs/dbraw/zinc/23/85/48/400238548.db2.gz HFXZZBZZOMKWOX-UHFFFAOYSA-N 0 3 274.368 2.248 10 0 CEAEHN CC[C@@H]1CN(c2ccnc(Cl)c2)CCN1C[C@@H](C)O ZINC000125497064 400278437 /nfs/dbraw/zinc/27/84/37/400278437.db2.gz DLMYRKGHPNCTPW-VXGBXAGGSA-N 0 3 283.803 2.016 10 0 CEAEHN CCOc1cc(CN2CCN3CCCC[C@@H]3C2)ccc1O ZINC000211299954 400303626 /nfs/dbraw/zinc/30/36/26/400303626.db2.gz JHTNHQGNLRRVPB-OAHLLOKOSA-N 0 3 290.407 2.461 10 0 CEAEHN CCC[C@H](C(=O)NCCC1CC(OCC)C1)N(C)C ZINC000190736480 153141755 /nfs/dbraw/zinc/14/17/55/153141755.db2.gz JGTAOPPEROJYOQ-JXQTWKCFSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCc3ccccc32)C1 ZINC000194315724 153252739 /nfs/dbraw/zinc/25/27/39/153252739.db2.gz MTJQYFJPUAHYLL-AWEZNQCLSA-N 0 3 273.380 2.243 10 0 CEAEHN O=C(c1ccc(-n2cccc2)cc1)N1CCN2CCC[C@H]2C1 ZINC000195318966 153281822 /nfs/dbraw/zinc/28/18/22/153281822.db2.gz SKPDRJRCSYVHNM-KRWDZBQOSA-N 0 3 295.386 2.398 10 0 CEAEHN Cn1nccc1C1CCN(CCOC(C)(C)C)CC1 ZINC000195503940 153292413 /nfs/dbraw/zinc/29/24/13/153292413.db2.gz DTEGMDHTLOYYRO-UHFFFAOYSA-N 0 3 265.401 2.415 10 0 CEAEHN CC(C)(C)OCCN1CCC(c2cc[nH]n2)CC1 ZINC000195507032 153292956 /nfs/dbraw/zinc/29/29/56/153292956.db2.gz DDLFLEWAVSDVMA-UHFFFAOYSA-N 0 3 251.374 2.404 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2ccc(F)cc21 ZINC000226330218 153334756 /nfs/dbraw/zinc/33/47/56/153334756.db2.gz BHAGAVOSTOJMSE-NOZJJQNGSA-N 0 3 250.317 2.088 10 0 CEAEHN OCC[C@@H]1CCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000227572890 153347224 /nfs/dbraw/zinc/34/72/24/153347224.db2.gz DBVFQLIRAXLXCA-AWEZNQCLSA-N 0 3 271.364 2.077 10 0 CEAEHN CC[C@H](c1nc([C@@H]2CNCCN2C)no1)c1ccccc1 ZINC000263149422 154023975 /nfs/dbraw/zinc/02/39/75/154023975.db2.gz CZSRHZYXRTYNCA-KBPBESRZSA-N 0 3 286.379 2.188 10 0 CEAEHN CC1CCC(Cc2nc([C@H]3CNCCN3C)no2)CC1 ZINC000263203124 154035257 /nfs/dbraw/zinc/03/52/57/154035257.db2.gz JHTOBOAIBJBUGJ-WXRRBKDZSA-N 0 3 278.400 2.015 10 0 CEAEHN CC(C)CC1(c2nc([C@@H]3CNCCN3C)no2)CCC1 ZINC000263218292 154039009 /nfs/dbraw/zinc/03/90/09/154039009.db2.gz LHPDWCYHVGGWBQ-LBPRGKRZSA-N 0 3 278.400 2.114 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2cc3ccccc3o2)n1 ZINC000263224171 154039633 /nfs/dbraw/zinc/03/96/33/154039633.db2.gz MNXFRLJQLDEYMV-LLVKDONJSA-N 0 3 284.319 2.059 10 0 CEAEHN CC(C)C1CC(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263526923 154115109 /nfs/dbraw/zinc/11/51/09/154115109.db2.gz UKZQZIYPDNIIOO-UHFFFAOYSA-N 0 3 294.439 2.338 10 0 CEAEHN CC(C)C1CC(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263526923 154115114 /nfs/dbraw/zinc/11/51/14/154115114.db2.gz UKZQZIYPDNIIOO-UHFFFAOYSA-N 0 3 294.439 2.338 10 0 CEAEHN CC[C@@H]1CC[C@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531665 154115324 /nfs/dbraw/zinc/11/53/24/154115324.db2.gz WVHRSVYKBWQMES-XSCHDIRWSA-N 0 3 280.412 2.092 10 0 CEAEHN CC[C@@H]1CC[C@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531665 154115331 /nfs/dbraw/zinc/11/53/31/154115331.db2.gz WVHRSVYKBWQMES-XSCHDIRWSA-N 0 3 280.412 2.092 10 0 CEAEHN COCCC[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000181456915 292377596 /nfs/dbraw/zinc/37/75/96/292377596.db2.gz QRMVACMLORCJLZ-ZIAGYGMSSA-N 0 3 272.433 2.142 10 0 CEAEHN CCCC[C@H](C(=O)OC)N1CCC(c2ccn[nH]2)CC1 ZINC000171235436 162381141 /nfs/dbraw/zinc/38/11/41/162381141.db2.gz ONHNJHGHTPPLDG-CQSZACIVSA-N 0 3 279.384 2.321 10 0 CEAEHN CC(C)N(C(=O)[C@H](C)N[C@H](C)[C@H]1CCCO1)C(C)C ZINC000248850045 162516895 /nfs/dbraw/zinc/51/68/95/162516895.db2.gz FAEQQAGSRXTAJB-HZSPNIEDSA-N 0 3 270.417 2.177 10 0 CEAEHN O=C(NCCC1CCCC1)N1CCN2CCC[C@H]2C1 ZINC000171901266 165054925 /nfs/dbraw/zinc/05/49/25/165054925.db2.gz YDNFGUXCUMSJPV-AWEZNQCLSA-N 0 3 265.401 2.056 10 0 CEAEHN C[C@H](c1ccccc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173934239 165091158 /nfs/dbraw/zinc/09/11/58/165091158.db2.gz JEAPGGMTGADLRZ-ZBFHGGJFSA-N 0 3 260.381 2.154 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC000177004765 165181073 /nfs/dbraw/zinc/18/10/73/165181073.db2.gz MKDXVHAQYZRVSR-LLVKDONJSA-N 0 3 282.409 2.313 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C ZINC000177322014 165197074 /nfs/dbraw/zinc/19/70/74/165197074.db2.gz URLBPMKDIWDQAJ-STQMWFEESA-N 0 3 255.406 2.157 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(OCCC(C)C)CC1 ZINC000178428026 165241270 /nfs/dbraw/zinc/24/12/70/165241270.db2.gz OAYFDZMJQDSCNS-HIFRSBDPSA-N 0 3 284.444 2.414 10 0 CEAEHN COc1ccc(Cl)cc1[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000180489316 165313857 /nfs/dbraw/zinc/31/38/57/165313857.db2.gz STEQOJKDBFYWIW-AAEUAGOBSA-N 0 3 298.814 2.330 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1cncc(F)c1)CC2 ZINC000180610393 165317612 /nfs/dbraw/zinc/31/76/12/165317612.db2.gz UAKUUMOAYVEFRH-MFKMUULPSA-N 0 3 289.358 2.040 10 0 CEAEHN CC(=O)NCCN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000020185095 171048197 /nfs/dbraw/zinc/04/81/97/171048197.db2.gz GOUVZAYPMPCYNH-SECBINFHSA-N 0 3 272.295 2.075 10 0 CEAEHN CCOc1cc2c(cc1CN[C@H](CC)CO)O[C@@H](C)C2 ZINC000020194382 171059764 /nfs/dbraw/zinc/05/97/64/171059764.db2.gz OWQWLIXHWNUUBE-SMDDNHRTSA-N 0 3 279.380 2.269 10 0 CEAEHN C[C@H](NCCc1cccs1)C(=O)NC(C)(C)C ZINC000020358501 171157349 /nfs/dbraw/zinc/15/73/49/171157349.db2.gz DWIQYIJDSDKBOG-JTQLQIEISA-N 0 3 254.399 2.183 10 0 CEAEHN COc1cccc(OC)c1[C@H](N)Cc1ccccn1 ZINC000020429049 171194054 /nfs/dbraw/zinc/19/40/54/171194054.db2.gz WKBONYAXDWAXEY-GFCCVEGCSA-N 0 3 258.321 2.341 10 0 CEAEHN Cn1cc([C@H](N)c2ccccc2C(F)(F)F)cn1 ZINC000020476850 171220916 /nfs/dbraw/zinc/22/09/16/171220916.db2.gz HCACEGKCFCBEOV-NSHDSACASA-N 0 3 255.243 2.487 10 0 CEAEHN CCCCOCCO[C@@H]1COc2ccccc2[C@H]1N ZINC000020509982 171230268 /nfs/dbraw/zinc/23/02/68/171230268.db2.gz KGZYTRPVENAREO-HUUCEWRRSA-N 0 3 265.353 2.281 10 0 CEAEHN CCCN(CCC)S(=O)(=O)Cc1ccccc1CN ZINC000021061703 171297358 /nfs/dbraw/zinc/29/73/58/171297358.db2.gz FEFFPRJEAIYJRY-UHFFFAOYSA-N 0 3 284.425 2.097 10 0 CEAEHN CN(C)CCNCc1cc(Br)ccc1F ZINC000022143989 171355904 /nfs/dbraw/zinc/35/59/04/171355904.db2.gz KHQXWSWUQNEJEV-UHFFFAOYSA-N 0 3 275.165 2.239 10 0 CEAEHN NC[C@H](c1ccc(Br)o1)N1CCCC1 ZINC000022167463 171366249 /nfs/dbraw/zinc/36/62/49/171366249.db2.gz UTCSZVLANVZLNR-MRVPVSSYSA-N 0 3 259.147 2.138 10 0 CEAEHN Cc1ccc([C@H](N)[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022563419 171391011 /nfs/dbraw/zinc/39/10/11/171391011.db2.gz XJAVMNDZXOZFBP-KNCOVGOOSA-N 0 3 262.397 2.493 10 0 CEAEHN CCCC[C@@H](N)c1nc(CCN(CC)CC)no1 ZINC000035411347 172183134 /nfs/dbraw/zinc/18/31/34/172183134.db2.gz PRJITDRYVYBADK-LLVKDONJSA-N 0 3 254.378 2.144 10 0 CEAEHN CCN(C)c1nc2sccn2c1CNC1CC1 ZINC000035430054 172197881 /nfs/dbraw/zinc/19/78/81/172197881.db2.gz HRVAIMJYELVVEH-UHFFFAOYSA-N 0 3 250.371 2.104 10 0 CEAEHN CCCNCc1c(N2CCSCC2)nc2sccn12 ZINC000035430002 172198506 /nfs/dbraw/zinc/19/85/06/172198506.db2.gz ZAACRWPORWDPQF-UHFFFAOYSA-N 0 3 296.465 2.449 10 0 CEAEHN CNCc1c(N(C)[C@@H]2CCSC2)nc2sccn12 ZINC000035430293 172199002 /nfs/dbraw/zinc/19/90/02/172199002.db2.gz QYGSDIFQHPIBBT-SECBINFHSA-N 0 3 282.438 2.057 10 0 CEAEHN C[C@H](NCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000035735815 172388525 /nfs/dbraw/zinc/38/85/25/172388525.db2.gz QFQFPHFETRRDHJ-GWCFXTLKSA-N 0 3 282.771 2.436 10 0 CEAEHN CC(C)C[C@H](N)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036810018 172726090 /nfs/dbraw/zinc/72/60/90/172726090.db2.gz URQBBJOSFUVFOQ-MJBXVCDLSA-N 0 3 252.402 2.399 10 0 CEAEHN NC(=O)CN[C@H](Cc1cccs1)c1cccs1 ZINC000037184009 173016712 /nfs/dbraw/zinc/01/67/12/173016712.db2.gz QBVBLINQDXOZIR-SNVBAGLBSA-N 0 3 266.391 2.168 10 0 CEAEHN CC(=O)NCCN[C@H](c1ccc(F)cc1)C1CC1 ZINC000037235776 173054453 /nfs/dbraw/zinc/05/44/53/173054453.db2.gz BOXGXDFUWWDIIF-AWEZNQCLSA-N 0 3 250.317 2.003 10 0 CEAEHN C[C@H](N[C@H](c1cccs1)C1CCCC1)C(N)=O ZINC000037261546 173071530 /nfs/dbraw/zinc/07/15/30/173071530.db2.gz WBMOCFHIIBOUPT-CABZTGNLSA-N 0 3 252.383 2.443 10 0 CEAEHN CC(C)(C)n1cc(CN[C@H]2CCC[C@@H](O)C2)cn1 ZINC000037321423 173122083 /nfs/dbraw/zinc/12/20/83/173122083.db2.gz RBEANCZWTVALDY-QWHCGFSZSA-N 0 3 251.374 2.031 10 0 CEAEHN CCN(CC)CCN[C@H](CO)c1ccc(Cl)cc1 ZINC000038117001 174126161 /nfs/dbraw/zinc/12/61/61/174126161.db2.gz LWYQQVBUSBWYEQ-CQSZACIVSA-N 0 3 270.804 2.305 10 0 CEAEHN COC(=O)[C@@H](C)CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491091 174292471 /nfs/dbraw/zinc/29/24/71/174292471.db2.gz DMLJCVOWYICAMH-WDEREUQCSA-N 0 3 281.352 2.164 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2ccc(N)cc2Cl)C1 ZINC000040501643 174298409 /nfs/dbraw/zinc/29/84/09/174298409.db2.gz UKTJMORDLHNRMS-LLVKDONJSA-N 0 3 281.787 2.136 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519001 174308595 /nfs/dbraw/zinc/30/85/95/174308595.db2.gz BFHLVTYFJPKOKD-NMLBEHRDSA-N 0 3 269.414 2.311 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000040630165 174357892 /nfs/dbraw/zinc/35/78/92/174357892.db2.gz OXEYEQPNKPRULC-GHMZBOCLSA-N 0 3 288.269 2.021 10 0 CEAEHN COc1ccc(-c2c[nH]c([C@@H]3C[C@H](OC)CN3)n2)cc1F ZINC000040637803 174361799 /nfs/dbraw/zinc/36/17/99/174361799.db2.gz KNSXOPRMGXUHFE-JQWIXIFHSA-N 0 3 291.326 2.274 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3cccc(F)c3)c[nH]2)C1 ZINC000040637741 174361900 /nfs/dbraw/zinc/36/19/00/174361900.db2.gz VGJQQVWRFLABDW-NEPJUHHUSA-N 0 3 261.300 2.265 10 0 CEAEHN COc1cccc(-c2c[nH]c([C@@H]3C[C@H](OC)CN3)n2)c1 ZINC000040637711 174362017 /nfs/dbraw/zinc/36/20/17/174362017.db2.gz DMPBFGJMDFNECS-STQMWFEESA-N 0 3 273.336 2.135 10 0 CEAEHN COc1ccc(C)cc1-c1c[nH]c([C@H]2C[C@H](OC)CN2)n1 ZINC000040637856 174362026 /nfs/dbraw/zinc/36/20/26/174362026.db2.gz BAVDSWXRZJJUBU-WCQYABFASA-N 0 3 287.363 2.443 10 0 CEAEHN CCOc1cccc(CN[C@H]2CCCN(C)C2)c1OC ZINC000040672930 174371630 /nfs/dbraw/zinc/37/16/30/174371630.db2.gz ISNBXWKJSHHEEG-AWEZNQCLSA-N 0 3 278.396 2.278 10 0 CEAEHN COc1ccc([C@@H](N)CN2CC[C@@H](C)C2)c(OC)c1 ZINC000040717907 174384978 /nfs/dbraw/zinc/38/49/78/174384978.db2.gz XYRUFYVNZZHMQA-RISCZKNCSA-N 0 3 264.369 2.045 10 0 CEAEHN CCNCc1c(N2CC[C@@H](C)C2)nc2sccn12 ZINC000040723695 174386148 /nfs/dbraw/zinc/38/61/48/174386148.db2.gz LKLHGZYQHWERCN-SNVBAGLBSA-N 0 3 264.398 2.352 10 0 CEAEHN CCCc1ccc([C@H](N)Cn2cnc(C)cc2=O)cc1 ZINC000040728058 174387927 /nfs/dbraw/zinc/38/79/27/174387927.db2.gz BQEJTCUTOHHOSI-OAHLLOKOSA-N 0 3 271.364 2.204 10 0 CEAEHN Fc1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)cc1Cl ZINC000404253514 414779662 /nfs/dbraw/zinc/77/96/62/414779662.db2.gz KNJNNGNZBPWBBA-KBPBESRZSA-N 0 3 284.762 2.042 10 0 CEAEHN CC(C)c1ccc([C@H](O)CNCc2cnn(C)c2)cc1 ZINC000041159864 174502020 /nfs/dbraw/zinc/50/20/20/174502020.db2.gz IFVPOSSQPQPJRD-MRXNPFEDSA-N 0 3 273.380 2.367 10 0 CEAEHN CC(C)(N)c1cn(Cc2cc(F)ccc2Cl)nn1 ZINC000125575089 414798506 /nfs/dbraw/zinc/79/85/06/414798506.db2.gz HKSHGKGSQYUOPN-UHFFFAOYSA-N 0 3 268.723 2.313 10 0 CEAEHN CCCC1CCC(NC(=O)C(C)(C)N2CCNCC2)CC1 ZINC000129709239 414812751 /nfs/dbraw/zinc/81/27/51/414812751.db2.gz PLRIVRMNIAWDFA-UHFFFAOYSA-N 0 3 295.471 2.145 10 0 CEAEHN CN(C(=O)c1ccc(F)c(Cl)c1)[C@H](CN)C(F)(F)F ZINC000662985720 414819066 /nfs/dbraw/zinc/81/90/66/414819066.db2.gz ZGMJNCTUNLFVGF-SECBINFHSA-N 0 3 298.667 2.441 10 0 CEAEHN CN(C(=O)C1CCC(F)(F)CC1)[C@@H](CN)C(F)(F)F ZINC000662987697 414819482 /nfs/dbraw/zinc/81/94/82/414819482.db2.gz WTESNESJLBPNAF-QMMMGPOBSA-N 0 3 288.260 2.160 10 0 CEAEHN COc1ccc(F)cc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000310980734 414857299 /nfs/dbraw/zinc/85/72/99/414857299.db2.gz JQXVNTQWQMHNMN-CHWSQXEVSA-N 0 3 253.317 2.227 10 0 CEAEHN COc1ccc(F)cc1CN[C@H]1CCC[C@H](O)C1 ZINC000310980738 414858644 /nfs/dbraw/zinc/85/86/44/414858644.db2.gz JQXVNTQWQMHNMN-STQMWFEESA-N 0 3 253.317 2.227 10 0 CEAEHN C[C@@H](N)c1cc(F)ccc1N(C)C[C@@H]1CCCO1 ZINC000042464412 174753028 /nfs/dbraw/zinc/75/30/28/174753028.db2.gz WKFHKDYORHRXBB-PWSUYJOCSA-N 0 3 252.333 2.461 10 0 CEAEHN COCc1nc(CN[C@H]2CCN(C(C)(C)C)C2)cs1 ZINC000657563286 415002839 /nfs/dbraw/zinc/00/28/39/415002839.db2.gz RPGNWNZGRXBFFO-NSHDSACASA-N 0 3 283.441 2.252 10 0 CEAEHN Cc1nc(C)n([C@H](CN)c2ccc(Cl)s2)n1 ZINC000043254562 174995090 /nfs/dbraw/zinc/99/50/90/174995090.db2.gz BSMSLQACGQBIGW-MRVPVSSYSA-N 0 3 256.762 2.158 10 0 CEAEHN CCN[C@@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300905 175001418 /nfs/dbraw/zinc/00/14/18/175001418.db2.gz BNVXDJIKDOLZID-YPMHNXCESA-N 0 3 287.812 2.425 10 0 CEAEHN Cc1cccc([C@H](CN)N2CCOC(C)(C)C2)c1C ZINC000043314692 175004786 /nfs/dbraw/zinc/00/47/86/175004786.db2.gz HQIQWKJGNQYEFZ-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN NC[C@@H](c1ccncc1)N(CC(F)(F)F)C1CC1 ZINC000043354824 175022011 /nfs/dbraw/zinc/02/20/11/175022011.db2.gz VHYVVVWFHJFQGB-NSHDSACASA-N 0 3 259.275 2.108 10 0 CEAEHN Cc1ccc([C@@H]([C@H](C)N)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000043363672 175024018 /nfs/dbraw/zinc/02/40/18/175024018.db2.gz ZPGUZNUGBZIOPP-KZVDOYCCSA-N 0 3 252.358 2.086 10 0 CEAEHN Cc1ccc([C@H](CN)N(CCO)C2CCCCC2)o1 ZINC000043365189 175026783 /nfs/dbraw/zinc/02/67/83/175026783.db2.gz OKDJSKHQZYJNRI-AWEZNQCLSA-N 0 3 266.385 2.215 10 0 CEAEHN CCN(CCOC)[C@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390548 175033695 /nfs/dbraw/zinc/03/36/95/175033695.db2.gz IIVUHDUEONHCPV-CYBMUJFWSA-N 0 3 274.767 2.447 10 0 CEAEHN C[C@H]1COCCN1[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390310 175033781 /nfs/dbraw/zinc/03/37/81/175033781.db2.gz SVSZYEKYGVFXAT-ZANVPECISA-N 0 3 272.751 2.200 10 0 CEAEHN CCN[C@@H](c1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043393199 175034454 /nfs/dbraw/zinc/03/44/54/175034454.db2.gz ZJCACTFUSXQYBG-UKRRQHHQSA-N 0 3 281.421 2.389 10 0 CEAEHN Cc1cc(C)cc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000043393795 175034858 /nfs/dbraw/zinc/03/48/58/175034858.db2.gz ZVRCZKSRRYWBCB-IJEWVQPXSA-N 0 3 262.397 2.412 10 0 CEAEHN COc1ccccc1CN(C)c1nc(C)ccc1CN ZINC000043395811 175035444 /nfs/dbraw/zinc/03/54/44/175035444.db2.gz NETXXWDQZOLVRM-UHFFFAOYSA-N 0 3 271.364 2.494 10 0 CEAEHN CCN[C@H](CN(C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043813393 175110722 /nfs/dbraw/zinc/11/07/22/175110722.db2.gz HNABWCWVILLWNZ-CYBMUJFWSA-N 0 3 264.369 2.406 10 0 CEAEHN CCOc1ccccc1[C@@H](CN(C)C1CCOCC1)NC ZINC000043898233 175121025 /nfs/dbraw/zinc/12/10/25/175121025.db2.gz OGYGENFHBSWYEA-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@@H](CN(C)CC(F)(F)F)c1cccc(OC)c1 ZINC000043900598 175121772 /nfs/dbraw/zinc/12/17/72/175121772.db2.gz OQNSZAABBSYADV-LBPRGKRZSA-N 0 3 276.302 2.450 10 0 CEAEHN CCN[C@@H](CN(C)CCOC)c1ccccc1OCC ZINC000043915977 175125135 /nfs/dbraw/zinc/12/51/35/175125135.db2.gz ARKFAXSJUXHWDT-HNNXBMFYSA-N 0 3 280.412 2.314 10 0 CEAEHN CN[C@@H](CN(CCOC)C1CC1)c1ccccc1OC ZINC000043969645 175130850 /nfs/dbraw/zinc/13/08/50/175130850.db2.gz XKZPWHLDWUBKMV-HNNXBMFYSA-N 0 3 278.396 2.067 10 0 CEAEHN CC[C@H](C)N(CC)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044800646 175255815 /nfs/dbraw/zinc/25/58/15/175255815.db2.gz UCZYTBPMQUYEEH-ZFWWWQNUSA-N 0 3 262.397 2.451 10 0 CEAEHN CC[C@@H](C)N(CCOC)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044807643 175256851 /nfs/dbraw/zinc/25/68/51/175256851.db2.gz ABBHHUGVLICEPA-ZBFHGGJFSA-N 0 3 292.423 2.078 10 0 CEAEHN C[C@H](CN1C(=S)N=NC1C1CC1)N1CCCCC1 ZINC000045005121 175288208 /nfs/dbraw/zinc/28/82/08/175288208.db2.gz DUUWINWHBFSCQZ-SNVBAGLBSA-N 0 3 266.414 2.319 10 0 CEAEHN O=C([C@@H]1CCCCN1)N1CCC[C@H]1C1CCCC1 ZINC000045088277 175304061 /nfs/dbraw/zinc/30/40/61/175304061.db2.gz RIDPXMVTWJXVAR-KBPBESRZSA-N 0 3 250.386 2.310 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCn2ccnc2)c1C ZINC000045172257 175321979 /nfs/dbraw/zinc/32/19/79/175321979.db2.gz JFKBGIVMECKLFF-LLVKDONJSA-N 0 3 261.373 2.067 10 0 CEAEHN CCCCN(CC)C[C@@](N)(C(=O)OC)c1ccccc1 ZINC000045223206 175331351 /nfs/dbraw/zinc/33/13/51/175331351.db2.gz DLRDMZYGCWAONE-INIZCTEOSA-N 0 3 278.396 2.136 10 0 CEAEHN CCCC[N@H+](CC)CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000045223354 175331708 /nfs/dbraw/zinc/33/17/08/175331708.db2.gz GENGBMVDRRZLLB-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCC[N@@H+](CC)CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000045223354 175331710 /nfs/dbraw/zinc/33/17/10/175331710.db2.gz GENGBMVDRRZLLB-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCCN(CC)CC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045223354 175331713 /nfs/dbraw/zinc/33/17/13/175331713.db2.gz GENGBMVDRRZLLB-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CN[C@](CN1CCC(C)CC1)(C(=O)OC)c1ccccc1 ZINC000045225332 175333044 /nfs/dbraw/zinc/33/30/44/175333044.db2.gz KSQFHSFZKZIWCP-KRWDZBQOSA-N 0 3 290.407 2.006 10 0 CEAEHN CCCN[C@](C)(CC[NH+](CCC)CCC)C(=O)[O-] ZINC000045230405 175335192 /nfs/dbraw/zinc/33/51/92/175335192.db2.gz AWSRTJDZJPTGPM-CQSZACIVSA-N 0 3 258.406 2.341 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(CCC)CCC)C(=O)[O-] ZINC000045230405 175335194 /nfs/dbraw/zinc/33/51/94/175335194.db2.gz AWSRTJDZJPTGPM-CQSZACIVSA-N 0 3 258.406 2.341 10 0 CEAEHN CC[NH2+][C@@](C)(CCN1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231857 175335445 /nfs/dbraw/zinc/33/54/45/175335445.db2.gz ALZZIFAZGISVAL-OBJOEFQTSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN[C@@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231857 175335446 /nfs/dbraw/zinc/33/54/46/175335446.db2.gz ALZZIFAZGISVAL-OBJOEFQTSA-N 0 3 256.390 2.092 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(CCC)C1CC1)C(=O)[O-] ZINC000045267940 175339689 /nfs/dbraw/zinc/33/96/89/175339689.db2.gz VSUGHNMDJNNKIB-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN(C[C@](NC)(C(=O)OC)c1ccccc1)C1CC1 ZINC000045267789 175339909 /nfs/dbraw/zinc/33/99/09/175339909.db2.gz NYAKXSHYYWOQLO-QGZVFWFLSA-N 0 3 290.407 2.149 10 0 CEAEHN CCCN(CC)C[C@](NC)(C(=O)OCC)c1ccccc1 ZINC000045267445 175340070 /nfs/dbraw/zinc/34/00/70/175340070.db2.gz LJFQCQLRMDPXHF-QGZVFWFLSA-N 0 3 292.423 2.396 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269908 175341341 /nfs/dbraw/zinc/34/13/41/175341341.db2.gz BWBXJVXUAHABCZ-JSGCOSHPSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269908 175341342 /nfs/dbraw/zinc/34/13/42/175341342.db2.gz BWBXJVXUAHABCZ-JSGCOSHPSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN(C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269908 175341344 /nfs/dbraw/zinc/34/13/44/175341344.db2.gz BWBXJVXUAHABCZ-JSGCOSHPSA-N 0 3 258.406 2.194 10 0 CEAEHN CCCCC[N@H+](CC[C@](C)(NC)C(=O)[O-])C(C)C ZINC000045278598 175348498 /nfs/dbraw/zinc/34/84/98/175348498.db2.gz JABSONZFTOSQOE-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCCC[N@@H+](CC[C@](C)(NC)C(=O)[O-])C(C)C ZINC000045278598 175348499 /nfs/dbraw/zinc/34/84/99/175348499.db2.gz JABSONZFTOSQOE-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@@](C)(CN1CCC(CC)CC1)C(=O)OCC ZINC000045281388 175351645 /nfs/dbraw/zinc/35/16/45/175351645.db2.gz PTVXSZBYUQTPII-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCCN(CCCC)C[C@H](NCCC)C(=O)OC ZINC000045380519 175368833 /nfs/dbraw/zinc/36/88/33/175368833.db2.gz ZIJLRHWEOKQFSF-AWEZNQCLSA-N 0 3 272.433 2.430 10 0 CEAEHN CCCCCN(C)C[C@H](NCCC)C(=O)OCC ZINC000045387826 175373600 /nfs/dbraw/zinc/37/36/00/175373600.db2.gz VFQSPKUACPGKHE-ZDUSSCGKSA-N 0 3 258.406 2.040 10 0 CEAEHN CCOC(=O)[C@@H](CN(CC)C1CCCC1)NC(C)C ZINC000045390371 175374576 /nfs/dbraw/zinc/37/45/76/175374576.db2.gz YHSURFGDWOZFEQ-CQSZACIVSA-N 0 3 270.417 2.181 10 0 CEAEHN Cc1nc([C@@H]2C[C@H]3CC[C@@H]2O3)nc(NN)c1C(C)C ZINC000070428331 175924053 /nfs/dbraw/zinc/92/40/53/175924053.db2.gz QYXUXPAOYKNCBE-MXWKQRLJSA-N 0 3 262.357 2.229 10 0 CEAEHN NCc1ccn(Cc2ccc(F)c(Br)c2)n1 ZINC000070708187 176002330 /nfs/dbraw/zinc/00/23/30/176002330.db2.gz ZZHJLRNCIPOBSG-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN COc1ccc([C@H](CNC(=O)c2ccc[nH]2)N(C)C)cc1 ZINC000070877839 176009680 /nfs/dbraw/zinc/00/96/80/176009680.db2.gz OOHPMFQVMCGJHV-HNNXBMFYSA-N 0 3 287.363 2.056 10 0 CEAEHN Cc1ncc(CNC2=NC[C@H](C3CC3)S2)s1 ZINC000070888430 176009924 /nfs/dbraw/zinc/00/99/24/176009924.db2.gz ZYBPGLOMMBGJAI-SNVBAGLBSA-N 0 3 253.396 2.423 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c(F)cccc1F ZINC000070987296 176018299 /nfs/dbraw/zinc/01/82/99/176018299.db2.gz OZVBJVISSQVGKD-SMDDNHRTSA-N 0 3 266.291 2.118 10 0 CEAEHN Cc1ccsc1[C@H]1[C@@H](N)CCC(=O)N1C1CC1 ZINC000070987144 176018565 /nfs/dbraw/zinc/01/85/65/176018565.db2.gz CVTHJJQLGDCGAN-CMPLNLGQSA-N 0 3 250.367 2.210 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(C)c(Br)c1 ZINC000070994174 176020011 /nfs/dbraw/zinc/02/00/11/176020011.db2.gz WINFFEKEDQGHJD-MRVPVSSYSA-N 0 3 271.158 2.304 10 0 CEAEHN C[C@H](c1ccc(F)cc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071032080 176022939 /nfs/dbraw/zinc/02/29/39/176022939.db2.gz AYTXKWMBKAMEGM-QMTHXVAHSA-N 0 3 262.328 2.240 10 0 CEAEHN COc1ccc(Cl)c(N2CC[C@@H](NC(C)C)C2=O)c1 ZINC000071031616 176023286 /nfs/dbraw/zinc/02/32/86/176023286.db2.gz BLYGGRNPPYKDOH-GFCCVEGCSA-N 0 3 282.771 2.452 10 0 CEAEHN CCCN[C@H]1CCCN(c2nc(C)c(C)s2)C1=O ZINC000071037170 176025784 /nfs/dbraw/zinc/02/57/84/176025784.db2.gz TXGJMNVTRQEBDR-NSHDSACASA-N 0 3 267.398 2.255 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1cc(Cl)ccc1F ZINC000071039906 176026984 /nfs/dbraw/zinc/02/69/84/176026984.db2.gz GIYCPEDLOHOYNW-NSHDSACASA-N 0 3 268.719 2.336 10 0 CEAEHN Cc1ccc(F)c(N2CC[C@@H](NC(C)C)C2=O)c1 ZINC000071039066 176027326 /nfs/dbraw/zinc/02/73/26/176027326.db2.gz XMWIQDNBIUGEEB-GFCCVEGCSA-N 0 3 250.317 2.237 10 0 CEAEHN CC(C)N[C@H]1CCN(c2cc(F)c(F)c(F)c2)C1=O ZINC000071042871 176029279 /nfs/dbraw/zinc/02/92/79/176029279.db2.gz VASVCHCCZSHDEA-NSHDSACASA-N 0 3 272.270 2.207 10 0 CEAEHN C[C@@H]1CCC[C@H](N2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000071148292 176044056 /nfs/dbraw/zinc/04/40/56/176044056.db2.gz SKGSLTRGDRHGNU-OLZOCXBDSA-N 0 3 283.485 2.247 10 0 CEAEHN NC[C@H](Oc1cc(F)ccc1F)c1ccccn1 ZINC000071167111 176049330 /nfs/dbraw/zinc/04/93/30/176049330.db2.gz VNRKXJNEVINOMV-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN Cc1ccc2[nH]c(Sc3cnc(CN)cn3)nc2c1 ZINC000071178569 176055796 /nfs/dbraw/zinc/05/57/96/176055796.db2.gz DVQJUTZTXVAICD-UHFFFAOYSA-N 0 3 271.349 2.271 10 0 CEAEHN Cc1ccc2nc(Sc3cnc(CN)cn3)[nH]c2c1 ZINC000071178569 176055797 /nfs/dbraw/zinc/05/57/97/176055797.db2.gz DVQJUTZTXVAICD-UHFFFAOYSA-N 0 3 271.349 2.271 10 0 CEAEHN CCC[C@H](N[C@@H]1CCN(C)C1=O)c1cccs1 ZINC000071183724 176059117 /nfs/dbraw/zinc/05/91/17/176059117.db2.gz CPWHIOFFQGLCEK-WDEREUQCSA-N 0 3 252.383 2.410 10 0 CEAEHN Cc1noc2ncnc(N3CCNCc4ccccc43)c12 ZINC000071194741 176075797 /nfs/dbraw/zinc/07/57/97/176075797.db2.gz FYBPQKJNNUYROU-UHFFFAOYSA-N 0 3 281.319 2.168 10 0 CEAEHN Cc1cnc(CN2Cc3ccc(F)cc3C2=N)cn1 ZINC000071269221 176102833 /nfs/dbraw/zinc/10/28/33/176102833.db2.gz IAUYHXCZSUYQJR-UHFFFAOYSA-N 0 3 256.284 2.265 10 0 CEAEHN CC(C)CCOCCNC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335977 176127478 /nfs/dbraw/zinc/12/74/78/176127478.db2.gz XOZVCQSTOXNKEN-UHFFFAOYSA-N 0 3 286.416 2.258 10 0 CEAEHN CN(CCn1ccc(N)n1)Cc1ccc(Cl)cc1 ZINC000071377995 176142637 /nfs/dbraw/zinc/14/26/37/176142637.db2.gz PWFDYTDIKMDPJR-UHFFFAOYSA-N 0 3 264.760 2.251 10 0 CEAEHN CCNCc1cc(C)ccc1OCCCC(=O)N(C)C ZINC000071403834 176155347 /nfs/dbraw/zinc/15/53/47/176155347.db2.gz PXZHCOQBTDRLHQ-UHFFFAOYSA-N 0 3 278.396 2.352 10 0 CEAEHN CNCc1cc(C)ccc1O[C@@H](C)C(=O)N1CCCCC1 ZINC000071403701 176155500 /nfs/dbraw/zinc/15/55/00/176155500.db2.gz BFPWYDQGEAQMJO-AWEZNQCLSA-N 0 3 290.407 2.494 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCO[C@@H]1CC1(F)F ZINC000659996167 415836208 /nfs/dbraw/zinc/83/62/08/415836208.db2.gz YGGRQJIWFMWAHJ-MGPQQGTHSA-N 0 3 288.382 2.359 10 0 CEAEHN CC(C)[C@H](C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662348961 415796284 /nfs/dbraw/zinc/79/62/84/415796284.db2.gz YZKYZOGNQCLILP-VIFPVBQESA-N 0 3 252.383 2.168 10 0 CEAEHN CCCCN(Cc1ccc(Cl)cc1)C(=O)CN ZINC000076659106 177047525 /nfs/dbraw/zinc/04/75/25/177047525.db2.gz JXWSALDVVMYEDY-UHFFFAOYSA-N 0 3 254.761 2.427 10 0 CEAEHN O=[S@@]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000076699065 177061398 /nfs/dbraw/zinc/06/13/98/177061398.db2.gz TWMOXQSXWSBZQN-YJBOKZPZSA-N 0 3 263.406 2.421 10 0 CEAEHN CNCc1cn2cc(Br)c(C)cc2n1 ZINC000076792466 177096976 /nfs/dbraw/zinc/09/69/76/177096976.db2.gz XOITZYGIQVXSKA-UHFFFAOYSA-N 0 3 254.131 2.125 10 0 CEAEHN Cc1nc2sccn2c1CNC[C@H]1CCCC[C@H]1O ZINC000077204585 177233209 /nfs/dbraw/zinc/23/32/09/177233209.db2.gz CFMCRQSJWFRQSE-DGCLKSJQSA-N 0 3 279.409 2.345 10 0 CEAEHN O=C(CNCC1(O)CCCCC1)Nc1cccc(F)c1 ZINC000078515546 177349208 /nfs/dbraw/zinc/34/92/08/177349208.db2.gz HLRDAQKABWZMEZ-UHFFFAOYSA-N 0 3 280.343 2.049 10 0 CEAEHN CCC[NH2+]Cc1cc(=O)[n-]c(-c2ccc(F)c(F)c2)n1 ZINC000079950093 177587421 /nfs/dbraw/zinc/58/74/21/177587421.db2.gz SINKHWKGYQHVDV-UHFFFAOYSA-N 0 3 279.290 2.215 10 0 CEAEHN C[C@H](O)CN1CCN(CCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000189362583 270260917 /nfs/dbraw/zinc/26/09/17/270260917.db2.gz AZHUWAKWGNYWTP-JYJNAYRXSA-N 0 3 282.472 2.447 10 0 CEAEHN CC[C@H]1CCCN(C(=O)N[C@H]2CCCN(CC)C2)C1 ZINC000194176377 270293666 /nfs/dbraw/zinc/29/36/66/270293666.db2.gz QRDIOXDUXNEWDP-KBPBESRZSA-N 0 3 267.417 2.302 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCC2CCCC2)C1 ZINC000194149360 270293818 /nfs/dbraw/zinc/29/38/18/270293818.db2.gz FJOOXOFEFCTQFG-CQSZACIVSA-N 0 3 267.417 2.350 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000392906071 270341301 /nfs/dbraw/zinc/34/13/01/270341301.db2.gz RNJPJHHULWDXAS-CABZTGNLSA-N 0 3 286.297 2.462 10 0 CEAEHN CC(C)[C@H](C)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000121987693 275697302 /nfs/dbraw/zinc/69/73/02/275697302.db2.gz OLIBJDLRTDOKNP-OLZOCXBDSA-N 0 3 269.410 2.483 10 0 CEAEHN CCC[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(OC)cc1 ZINC000180493516 276044775 /nfs/dbraw/zinc/04/47/75/276044775.db2.gz HSWHNWIHURVNFZ-SJORKVTESA-N 0 3 292.423 2.457 10 0 CEAEHN CC1(C)CC[C@](NCC2CC2)(C(N)=O)c2ccccc21 ZINC000038000928 276118875 /nfs/dbraw/zinc/11/88/75/276118875.db2.gz RNIYEGJHRODARN-QGZVFWFLSA-N 0 3 272.392 2.438 10 0 CEAEHN CCOc1cc(NC[C@@H]2NCCc3ccccc32)ncn1 ZINC000261694597 276370904 /nfs/dbraw/zinc/37/09/04/276370904.db2.gz NPCTXQYEVGDEJK-AWEZNQCLSA-N 0 3 284.363 2.174 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC000176987530 276377207 /nfs/dbraw/zinc/37/72/07/276377207.db2.gz NMNJIHVVXCKNOB-KBPBESRZSA-N 0 3 250.386 2.285 10 0 CEAEHN CN1c2ccccc2[C@H](N[C@@H]2CCSC2)CC1=O ZINC000222144282 276992571 /nfs/dbraw/zinc/99/25/71/276992571.db2.gz REEIYJODKBKYLC-ZYHUDNBSSA-N 0 3 262.378 2.189 10 0 CEAEHN COC[C@H](C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000248648341 277257147 /nfs/dbraw/zinc/25/71/47/277257147.db2.gz UNCKVXMCTGBXNQ-KCQAQPDRSA-N 0 3 278.396 2.077 10 0 CEAEHN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177244394 278353605 /nfs/dbraw/zinc/35/36/05/278353605.db2.gz ZSXXBXCDBWVJKG-MFKMUULPSA-N 0 3 299.296 2.446 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000263531139 279059340 /nfs/dbraw/zinc/05/93/40/279059340.db2.gz WMPLQCKBTXGJPG-GRTSSRMGSA-N 0 3 282.428 2.482 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000345359254 279133904 /nfs/dbraw/zinc/13/39/04/279133904.db2.gz XOAKAZCJSKPCSE-MJBXVCDLSA-N 0 3 264.417 2.455 10 0 CEAEHN Cc1cc(C)c(CN2CCO[C@@H](CN(C)C)C2)cc1C ZINC000128097634 279879924 /nfs/dbraw/zinc/87/99/24/279879924.db2.gz XBVMTQKVEXJKIY-KRWDZBQOSA-N 0 3 276.424 2.374 10 0 CEAEHN CSC[C@@H]1CCCN1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000246602364 280302996 /nfs/dbraw/zinc/30/29/96/280302996.db2.gz DDPNPNFLTGYDEQ-IHRRRGAJSA-N 0 3 299.484 2.252 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H](C)CC(C)C)C1 ZINC000246674748 280305899 /nfs/dbraw/zinc/30/58/99/280305899.db2.gz LNKOEWUJUCDTNI-CHWSQXEVSA-N 0 3 255.406 2.205 10 0 CEAEHN Cc1nc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c(C)s1 ZINC000246677612 280306263 /nfs/dbraw/zinc/30/62/63/280306263.db2.gz LRHVKXBPIFGAEO-SKDRFNHKSA-N 0 3 281.425 2.218 10 0 CEAEHN CC(C)(C)[C@@H](O)CNCC(=O)Nc1ccc(Cl)cc1 ZINC000324535621 280601766 /nfs/dbraw/zinc/60/17/66/280601766.db2.gz QLBQNYSHWGYHRL-LBPRGKRZSA-N 0 3 284.787 2.275 10 0 CEAEHN CC1(C)CCC[C@@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263485854 281033619 /nfs/dbraw/zinc/03/36/19/281033619.db2.gz HIMMWOKKMZYMSI-NRXISQOPSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1(C)CCC[C@@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263485854 281033623 /nfs/dbraw/zinc/03/36/23/281033623.db2.gz HIMMWOKKMZYMSI-NRXISQOPSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1(C)CCC[C@@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263485854 281033626 /nfs/dbraw/zinc/03/36/26/281033626.db2.gz HIMMWOKKMZYMSI-NRXISQOPSA-N 0 3 294.439 2.482 10 0 CEAEHN Cc1cccc2c1[C@H](C)C[C@H]2NC[C@@H]1CN(C)CCO1 ZINC000180497281 281304936 /nfs/dbraw/zinc/30/49/36/281304936.db2.gz MTSDIFULPJNFBM-IIAWOOMASA-N 0 3 274.408 2.464 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[O-] ZINC000175436750 288310484 /nfs/dbraw/zinc/31/04/84/288310484.db2.gz JIJWPLHDRYMHIY-QWHCGFSZSA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[O-] ZINC000175436750 288310486 /nfs/dbraw/zinc/31/04/86/288310486.db2.gz JIJWPLHDRYMHIY-QWHCGFSZSA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@H](OC1CCCCC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000154437678 289145287 /nfs/dbraw/zinc/14/52/87/289145287.db2.gz SPIMFFYHARKPGI-HIFRSBDPSA-N 0 3 282.428 2.277 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c([O-])c1 ZINC000155425691 289174286 /nfs/dbraw/zinc/17/42/86/289174286.db2.gz PHDDFCBDHYSLRW-JSGCOSHPSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c([O-])c1 ZINC000155425691 289174287 /nfs/dbraw/zinc/17/42/87/289174287.db2.gz PHDDFCBDHYSLRW-JSGCOSHPSA-N 0 3 276.380 2.159 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)CCC2CCCCC2)CCO1 ZINC000116794240 289214791 /nfs/dbraw/zinc/21/47/91/289214791.db2.gz SMDWQPDLSCHNRM-HNNXBMFYSA-N 0 3 282.428 2.136 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1cccc(F)c1 ZINC000282059322 290001959 /nfs/dbraw/zinc/00/19/59/290001959.db2.gz BJIUXDHDFBILDD-OPQQBVKSSA-N 0 3 250.317 2.143 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H](C)c2cccc(F)c2)C[C@H]1C ZINC000247537912 290116317 /nfs/dbraw/zinc/11/63/17/290116317.db2.gz CSLLQFDDCTZNLU-RDBSUJKOSA-N 0 3 280.387 2.274 10 0 CEAEHN CCC[C@@H](C(=O)N1CCS[C@H](C(C)C)C1)N(C)C ZINC000162346561 297451473 /nfs/dbraw/zinc/45/14/73/297451473.db2.gz UHRZCOLCZMRZPF-STQMWFEESA-N 0 3 272.458 2.317 10 0 CEAEHN CCCC[C@@H](COC)NC(=O)[C@H](CCC)N(C)C ZINC000161954587 312645797 /nfs/dbraw/zinc/64/57/97/312645797.db2.gz YBHDSCJORQDMHV-STQMWFEESA-N 0 3 258.406 2.038 10 0 CEAEHN CC(C)NCc1cnc(N2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000054907055 519728333 /nfs/dbraw/zinc/72/83/33/519728333.db2.gz JSUAGQCGDGGYAL-QWHCGFSZSA-N 0 3 281.425 2.399 10 0 CEAEHN CCCN1CCN(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560744 519858697 /nfs/dbraw/zinc/85/86/97/519858697.db2.gz IBWGPDYDGLAFML-ULQDDVLXSA-N 0 3 282.472 2.447 10 0 CEAEHN CC[NH2+]CCS(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000049632357 519925048 /nfs/dbraw/zinc/92/50/48/519925048.db2.gz HOUGNUQHVBRAQQ-UHFFFAOYSA-N 0 3 297.207 2.345 10 0 CEAEHN CCNCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000049640964 519926556 /nfs/dbraw/zinc/92/65/56/519926556.db2.gz FSOCQEOJTNUGCU-UHFFFAOYSA-N 0 3 296.314 2.057 10 0 CEAEHN CCCNCc1oc(CN(C)CCOC)cc1C ZINC000052572993 519971820 /nfs/dbraw/zinc/97/18/20/519971820.db2.gz STDMTXLVOBCEJU-UHFFFAOYSA-N 0 3 254.374 2.166 10 0 CEAEHN CCCN[C@@H](CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000062454396 519995472 /nfs/dbraw/zinc/99/54/72/519995472.db2.gz IHDDRKKCGGXIOR-AWEZNQCLSA-N 0 3 272.433 2.443 10 0 CEAEHN CCCN[C@@H](CN1CCC(CCC)CC1)C(=O)OC ZINC000050905871 520009435 /nfs/dbraw/zinc/00/94/35/520009435.db2.gz UGKPGXLQLKPDFQ-AWEZNQCLSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNCc1nc(Cn2nc(C)c(C)c2C)cs1 ZINC000052591863 520021158 /nfs/dbraw/zinc/02/11/58/520021158.db2.gz RWUGCQYLMZBEFM-UHFFFAOYSA-N 0 3 264.398 2.423 10 0 CEAEHN CCCN[C@H](Cc1ccc(C)c(C)c1)CS(C)(=O)=O ZINC000052789258 520087201 /nfs/dbraw/zinc/08/72/01/520087201.db2.gz ADMZAJAMADCFKB-OAHLLOKOSA-N 0 3 283.437 2.259 10 0 CEAEHN CCN[C@H](CS(C)(=O)=O)c1c(C)cc(C)cc1C ZINC000054930415 520199978 /nfs/dbraw/zinc/19/99/78/520199978.db2.gz OUVUXGBTRCYJGI-CYBMUJFWSA-N 0 3 269.410 2.307 10 0 CEAEHN CCN(CC(F)(F)F)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051094452 520421579 /nfs/dbraw/zinc/42/15/79/520421579.db2.gz LQKKGGJMNNIRJN-UHFFFAOYSA-N 0 3 296.680 2.045 10 0 CEAEHN CCCOc1cccc([C@H](CN)N(CC)CCOC)c1 ZINC000052921142 520466749 /nfs/dbraw/zinc/46/67/49/520466749.db2.gz BEKVFZJOBCYCMS-INIZCTEOSA-N 0 3 280.412 2.444 10 0 CEAEHN CC1(C)CSC(NC[C@@H]2Cc3ccccc3O2)=N1 ZINC000051087010 520513492 /nfs/dbraw/zinc/51/34/92/520513492.db2.gz YIRQCALDRKBFAY-NSHDSACASA-N 0 3 262.378 2.461 10 0 CEAEHN CCN(CC)CCN[C@@]1(C(=O)OC)CC[C@@H](C)C[C@@H]1C ZINC000068631294 520689944 /nfs/dbraw/zinc/68/99/44/520689944.db2.gz YCXAKOBQOKOBHJ-YCPHGPKFSA-N 0 3 284.444 2.286 10 0 CEAEHN CCCCOCCOc1ccc2c(c1)OC[C@H]2N ZINC000062803528 520794714 /nfs/dbraw/zinc/79/47/14/520794714.db2.gz LRIBDBCIBMVGSM-CYBMUJFWSA-N 0 3 251.326 2.274 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(CC)CC1CC1)NC(C)C ZINC000069239550 521147075 /nfs/dbraw/zinc/14/70/75/521147075.db2.gz UNIGSTYRTRWNHX-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CNCc1cc(Cl)c(OCCC(=O)OC)c(OC)c1 ZINC000069316845 522111432 /nfs/dbraw/zinc/11/14/32/522111432.db2.gz KWVYMHVCUOHJLE-UHFFFAOYSA-N 0 3 287.743 2.010 10 0 CEAEHN CNCc1ccccc1OCCn1cc(Cl)cn1 ZINC000052577183 522138894 /nfs/dbraw/zinc/13/88/94/522138894.db2.gz MLAFKOWKOAQCGR-UHFFFAOYSA-N 0 3 265.744 2.335 10 0 CEAEHN CNCc1nc(CN2C[C@H](C)C[C@H](C)C2)cs1 ZINC000052420411 522152135 /nfs/dbraw/zinc/15/21/35/522152135.db2.gz FNUWKYHNQVHJJY-PHIMTYICSA-N 0 3 253.415 2.340 10 0 CEAEHN COC[C@@H](C)N(C)Cc1cc(CNC(C)C)co1 ZINC000052511765 522220331 /nfs/dbraw/zinc/22/03/31/522220331.db2.gz FRRAPGLVXPCYCQ-GFCCVEGCSA-N 0 3 254.374 2.244 10 0 CEAEHN COC(=O)c1cc(CN[C@H](C)[C@@H]2CCCO2)cs1 ZINC000411537989 533829210 /nfs/dbraw/zinc/82/92/10/533829210.db2.gz SSLFNEXXHHWQRS-KOLCDFICSA-N 0 3 269.366 2.192 10 0 CEAEHN CN[C@@H](CS(C)(=O)=O)c1cccc2ccccc21 ZINC000054930186 522357768 /nfs/dbraw/zinc/35/77/68/522357768.db2.gz DXBJTJPKDRLCTP-AWEZNQCLSA-N 0 3 263.362 2.145 10 0 CEAEHN Brc1cccc(CNCc2cnc[nH]2)c1 ZINC000054765196 518220919 /nfs/dbraw/zinc/22/09/19/518220919.db2.gz YNCWLSGROFESMB-UHFFFAOYSA-N 0 3 266.142 2.462 10 0 CEAEHN CC(C)(CO)[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000062701623 519281116 /nfs/dbraw/zinc/28/11/16/519281116.db2.gz IOIBSQIBVIRDBN-UHFFFAOYSA-N 0 3 274.158 2.015 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1sccc1N ZINC000049551045 519340730 /nfs/dbraw/zinc/34/07/30/519340730.db2.gz BKIAMZBHBARHLE-SNVBAGLBSA-N 0 3 269.414 2.036 10 0 CEAEHN CC(C)C[C@H](CN(C)C)Nc1ncccc1C(N)=S ZINC000049560084 519344127 /nfs/dbraw/zinc/34/41/27/519344127.db2.gz MQTRGACZIRVMJC-LLVKDONJSA-N 0 3 280.441 2.104 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)Cn2ccc3ccccc32)[C@@H](C)C1 ZINC000155718236 519696498 /nfs/dbraw/zinc/69/64/98/519696498.db2.gz QVLXTKVNGSEBMV-HOCLYGCPSA-N 0 3 299.418 2.486 10 0 CEAEHN CC(C)CN(Cc1ccnc(C(N)=S)c1)C1CC1 ZINC000068752527 519718620 /nfs/dbraw/zinc/71/86/20/519718620.db2.gz JZXZRONOEDXJHW-UHFFFAOYSA-N 0 3 263.410 2.336 10 0 CEAEHN CC(C)CN1CCN(C[C@@H]2CCCCC2=O)CC1 ZINC000055081603 519726452 /nfs/dbraw/zinc/72/64/52/519726452.db2.gz SEGGQKABWGBSAX-AWEZNQCLSA-N 0 3 252.402 2.019 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@@H](CN2CCCN(C)CC2)C1 ZINC000054558923 519801889 /nfs/dbraw/zinc/80/18/89/519801889.db2.gz HWOLBIPKWAHBQD-HUUCEWRRSA-N 0 3 266.429 2.265 10 0 CEAEHN CCCN1CCN(c2nc(C)c([C@H](C)N)s2)CC1 ZINC000054863929 519860716 /nfs/dbraw/zinc/86/07/16/519860716.db2.gz XODZVCGEHMVLQA-JTQLQIEISA-N 0 3 268.430 2.003 10 0 CEAEHN CCCN1CCO[C@H](CN)[C@@H]1c1c(F)cccc1F ZINC000070288280 519861265 /nfs/dbraw/zinc/86/12/65/519861265.db2.gz UGHSJWYFOXCGQD-TZMCWYRMSA-N 0 3 270.323 2.075 10 0 CEAEHN CCCn1nccc1[C@@H](N)c1ccc(OC)c(OC)c1 ZINC000069470432 519892451 /nfs/dbraw/zinc/89/24/51/519892451.db2.gz FEGYJRDQKJENGC-HNNXBMFYSA-N 0 3 275.352 2.358 10 0 CEAEHN CCCn1nccc1[C@H](N)c1ccc(OC)c(OC)c1 ZINC000069470429 519892461 /nfs/dbraw/zinc/89/24/61/519892461.db2.gz FEGYJRDQKJENGC-OAHLLOKOSA-N 0 3 275.352 2.358 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(C)ccc1OC ZINC000061287203 519906109 /nfs/dbraw/zinc/90/61/09/519906109.db2.gz YSPUDNRASLEGRJ-UHFFFAOYSA-N 0 3 250.342 2.330 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(C(=O)NC(C)C)c1 ZINC000061291495 519907146 /nfs/dbraw/zinc/90/71/46/519907146.db2.gz CCZVEIGYQPQJCF-UHFFFAOYSA-N 0 3 291.395 2.151 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(OCCOC)c1 ZINC000061293659 519907913 /nfs/dbraw/zinc/90/79/13/519907913.db2.gz ZMICQPKPSWLKKH-UHFFFAOYSA-N 0 3 280.368 2.038 10 0 CEAEHN CCCNCc1c(C)nc(-c2cnccn2)nc1C ZINC000054854244 519942864 /nfs/dbraw/zinc/94/28/64/519942864.db2.gz HCKQNHAKNJANOM-UHFFFAOYSA-N 0 3 257.341 2.050 10 0 CEAEHN CCNCc1cc2ccccc2nc1N1CCC[C@@H]1CO ZINC000048860768 519993495 /nfs/dbraw/zinc/99/34/95/519993495.db2.gz XIUURILKBVOLFC-OAHLLOKOSA-N 0 3 285.391 2.305 10 0 CEAEHN CC(C)n1ccnc(N[C@@H](C)CN2CCCCC2)c1=O ZINC000061765109 520021175 /nfs/dbraw/zinc/02/11/75/520021175.db2.gz SNGBXNJSYYFWSM-ZDUSSCGKSA-N 0 3 278.400 2.111 10 0 CEAEHN CCNCc1nccn1Cc1ccc(OC)c(F)c1 ZINC000051004977 520023180 /nfs/dbraw/zinc/02/31/80/520023180.db2.gz NIMZQXLQWNJRHF-UHFFFAOYSA-N 0 3 263.316 2.189 10 0 CEAEHN CCNCc1nccn1Cc1ccn(-c2ccccc2)n1 ZINC000061641325 520024030 /nfs/dbraw/zinc/02/40/30/520024030.db2.gz NBXLERJHMIFBHS-UHFFFAOYSA-N 0 3 281.363 2.227 10 0 CEAEHN CCN[C@@H](C)c1c(F)cccc1Sc1n[nH]c(=O)n1C ZINC000061592949 520074984 /nfs/dbraw/zinc/07/49/84/520074984.db2.gz HRTJFCAGKHWWEX-QMMMGPOBSA-N 0 3 296.371 2.069 10 0 CEAEHN CCCN[C@H](CS(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000070129072 520085754 /nfs/dbraw/zinc/08/57/54/520085754.db2.gz BSCIRAXWFDEGQW-CYBMUJFWSA-N 0 3 285.409 2.089 10 0 CEAEHN CCN[C@@H](c1ccc(OC)cc1Cl)[C@H]1COCCO1 ZINC000055300805 520112308 /nfs/dbraw/zinc/11/23/08/520112308.db2.gz UYYMWBKTPAVXAR-KGLIPLIRSA-N 0 3 285.771 2.415 10 0 CEAEHN CCN[C@@H]1CCN(c2ccc(Br)cc2)C1=O ZINC000049648550 520120716 /nfs/dbraw/zinc/12/07/16/520120716.db2.gz UAGKSWXCZZTSDT-LLVKDONJSA-N 0 3 283.169 2.164 10 0 CEAEHN CCOC[C@H](O)COc1c(Cl)cc(Cl)cc1CN ZINC000069275574 520164044 /nfs/dbraw/zinc/16/40/44/520164044.db2.gz SDEGFRZHCQYGSV-JTQLQIEISA-N 0 3 294.178 2.228 10 0 CEAEHN CCCNc1cccc(C(=O)N2CCC[C@H]2CN(C)C)n1 ZINC000061656008 520173018 /nfs/dbraw/zinc/17/30/18/520173018.db2.gz BVWWETHVYOPBLL-ZDUSSCGKSA-N 0 3 290.411 2.070 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCCC(=O)OC ZINC000069317641 520177563 /nfs/dbraw/zinc/17/75/63/520177563.db2.gz YWMWLDHDXPFGJW-SNVBAGLBSA-N 0 3 269.316 2.438 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC ZINC000062747037 520178795 /nfs/dbraw/zinc/17/87/95/520178795.db2.gz QFHGBCPJMORMHK-NXEZZACHSA-N 0 3 268.332 2.010 10 0 CEAEHN CCCNc1ncccc1CN1CCN(CC2CC2)CC1 ZINC000052731393 520196437 /nfs/dbraw/zinc/19/64/37/520196437.db2.gz OPPNNVSHWVAHAO-UHFFFAOYSA-N 0 3 288.439 2.431 10 0 CEAEHN CCN[C@](CN(CC)C(C)C)(C(=O)OCC)C1CC1 ZINC000069097175 520245179 /nfs/dbraw/zinc/24/51/79/520245179.db2.gz OHIPTVYRCVTZTN-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN[C@H]1COc2cc(OCc3nccn3C)ccc21 ZINC000062804690 520222230 /nfs/dbraw/zinc/22/22/30/520222230.db2.gz YWWPXMXEMRNJIK-ZDUSSCGKSA-N 0 3 273.336 2.042 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1ccc(C)cc1C)C(N)=O ZINC000068655184 520241393 /nfs/dbraw/zinc/24/13/93/520241393.db2.gz VEPYQGVYFREOEV-XJKSGUPXSA-N 0 3 278.396 2.314 10 0 CEAEHN CCO[C@@H]1CCCN(c2ccccc2CNCCOC)C1 ZINC000062737550 520322875 /nfs/dbraw/zinc/32/28/75/520322875.db2.gz YQRZLLZRRFHHFG-MRXNPFEDSA-N 0 3 292.423 2.428 10 0 CEAEHN CCN(CC(F)(F)F)c1ncc(CNCCOC)s1 ZINC000054906113 520423679 /nfs/dbraw/zinc/42/36/79/520423679.db2.gz POJDIQZKKQUQDH-UHFFFAOYSA-N 0 3 297.346 2.268 10 0 CEAEHN CCCOc1cccc([C@@H](CN)N(C)[C@@H](C)COC)c1 ZINC000052921149 520464571 /nfs/dbraw/zinc/46/45/71/520464571.db2.gz OBTVMTDHHSYBFQ-XJKSGUPXSA-N 0 3 280.412 2.442 10 0 CEAEHN CCCOc1cccc([C@@H](N[C@@H](C)CC)C(N)=O)c1 ZINC000052921488 520465743 /nfs/dbraw/zinc/46/57/43/520465743.db2.gz KVFJVCHQBLBFTH-SMDDNHRTSA-N 0 3 264.369 2.390 10 0 CEAEHN CCCCN(CC)C[C@@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069090159 520477725 /nfs/dbraw/zinc/47/77/25/520477725.db2.gz WCVFKESRPXENRK-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CC1(C)COCCN1[C@@H](CN)c1cccc2cccnc21 ZINC000069502606 520508300 /nfs/dbraw/zinc/50/83/00/520508300.db2.gz KTNKJWPABPOIPU-HNNXBMFYSA-N 0 3 285.391 2.345 10 0 CEAEHN CCOC(=O)CC[C@@H](N)c1cc(OC)c(OC)cc1F ZINC000061561755 520705511 /nfs/dbraw/zinc/70/55/11/520705511.db2.gz PBFAJZUXQXOFCH-LLVKDONJSA-N 0 3 285.315 2.186 10 0 CEAEHN CCOc1cc2c(cc1[C@@H](O)CNC1CC1)O[C@H](C)C2 ZINC000055029085 520801137 /nfs/dbraw/zinc/80/11/37/520801137.db2.gz WSOXJOZZADYYCR-YGRLFVJLSA-N 0 3 277.364 2.194 10 0 CEAEHN CCCCSC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069184161 520956680 /nfs/dbraw/zinc/95/66/80/520956680.db2.gz DCTONKYNXXTKMC-ZDUSSCGKSA-N 0 3 258.431 2.152 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@H](C)NC ZINC000054074632 521015159 /nfs/dbraw/zinc/01/51/59/521015159.db2.gz FLZOFQAJJIPATC-QMMMGPOBSA-N 0 3 256.733 2.285 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)N ZINC000062745296 521032660 /nfs/dbraw/zinc/03/26/60/521032660.db2.gz LUUTVVPYSMZDHY-RKDXNWHRSA-N 0 3 255.289 2.176 10 0 CEAEHN CCCC[C@@H](CC)COCC[C@@H](NCC)C(N)=O ZINC000062543021 521038461 /nfs/dbraw/zinc/03/84/61/521038461.db2.gz OLVSGHFWKXGMFT-CHWSQXEVSA-N 0 3 258.406 2.073 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555877 521049699 /nfs/dbraw/zinc/04/96/99/521049699.db2.gz CRLVCNXQMWRECB-ZNMIVQPWSA-N 0 3 285.476 2.246 10 0 CEAEHN CCCC[C@H](C)N[C@@H]1CC(=O)N(C(CC)CC)C1=O ZINC000050887996 521152440 /nfs/dbraw/zinc/15/24/40/521152440.db2.gz CGKKKVGSWKSQDM-WCQYABFASA-N 0 3 268.401 2.471 10 0 CEAEHN CCCC[C@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC000049547805 521216026 /nfs/dbraw/zinc/21/60/26/521216026.db2.gz GUFWIBIZUDLOTC-QMMMGPOBSA-N 0 3 253.371 2.088 10 0 CEAEHN CCOc1ccc([C@](O)(CN)C(F)(F)F)cc1OCC ZINC000062784462 521277860 /nfs/dbraw/zinc/27/78/60/521277860.db2.gz ZUIXIVAWPMDXMR-GFCCVEGCSA-N 0 3 293.285 2.193 10 0 CEAEHN CCC(C)(C)N(C)S(=O)(=O)c1cccc2c1CCNC2 ZINC000069455927 521309951 /nfs/dbraw/zinc/30/99/51/521309951.db2.gz JCJNEFAEJURHLA-UHFFFAOYSA-N 0 3 296.436 2.141 10 0 CEAEHN CCOc1cccc(CN)c1OC1CCOCC1 ZINC000069288500 521332931 /nfs/dbraw/zinc/33/29/31/521332931.db2.gz WAIFKYDOGMNZKX-UHFFFAOYSA-N 0 3 251.326 2.102 10 0 CEAEHN CCCc1ccc(OCC[C@@H](NC(C)C)C(N)=O)cc1 ZINC000062596194 521404187 /nfs/dbraw/zinc/40/41/87/521404187.db2.gz YKFWHTGTQJMURZ-OAHLLOKOSA-N 0 3 278.396 2.260 10 0 CEAEHN CCCc1ccc([C@@H](Cn2nc(C)ccc2=O)NC)cc1 ZINC000061810250 521413693 /nfs/dbraw/zinc/41/36/93/521413693.db2.gz YCYKZRLNEPVENC-MRXNPFEDSA-N 0 3 285.391 2.465 10 0 CEAEHN CCCc1nc(Cn2nc(C)c(CN)c2C)cs1 ZINC000049276608 521527018 /nfs/dbraw/zinc/52/70/18/521527018.db2.gz IMGHRRYZTQWALS-UHFFFAOYSA-N 0 3 264.398 2.416 10 0 CEAEHN CCN1CCC[C@@H](Nc2ccccc2C(N)=S)C1 ZINC000049224603 521627815 /nfs/dbraw/zinc/62/78/15/521627815.db2.gz QPEIYDYABXCCNM-LLVKDONJSA-N 0 3 263.410 2.217 10 0 CEAEHN CCOC1CCN([C@@H]2CNCc3ccccc32)CC1 ZINC000069266079 521656916 /nfs/dbraw/zinc/65/69/16/521656916.db2.gz JIRAXRXOWCTGQZ-MRXNPFEDSA-N 0 3 260.381 2.332 10 0 CEAEHN CCCN(CCN(C)C)Cc1csc(CNC(C)C)n1 ZINC000052544092 521657943 /nfs/dbraw/zinc/65/79/43/521657943.db2.gz GREYXHYXCRIOED-UHFFFAOYSA-N 0 3 298.500 2.415 10 0 CEAEHN CCC1(CC)CCN(C[C@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069232555 521687577 /nfs/dbraw/zinc/68/75/77/521687577.db2.gz VTQBQEURMGCCIG-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCN1CCN(Cc2c3ccccc3oc2CN)CC1 ZINC000052422344 521687764 /nfs/dbraw/zinc/68/77/64/521687764.db2.gz DXMVHGJGWZOPCJ-UHFFFAOYSA-N 0 3 273.380 2.029 10 0 CEAEHN CCc1cccc(NC(=O)c2ccnc(NN)c2)c1 ZINC000051112632 521769983 /nfs/dbraw/zinc/76/99/83/521769983.db2.gz CHQYEXLJCMJOGV-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CCc1cccc(NC(=O)c2cc[nH]c(=NN)c2)c1 ZINC000051112632 521769994 /nfs/dbraw/zinc/76/99/94/521769994.db2.gz CHQYEXLJCMJOGV-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CC[C@H](C)Oc1cccc(N2CC[C@@H](NC)C2=O)c1 ZINC000051781040 521776625 /nfs/dbraw/zinc/77/66/25/521776625.db2.gz HYXUUMOWGOCCAR-SMDDNHRTSA-N 0 3 262.353 2.189 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(N)c1 ZINC000061641662 521834379 /nfs/dbraw/zinc/83/43/79/521834379.db2.gz NXWPTZUDAKSRGP-NSHDSACASA-N 0 3 281.787 2.088 10 0 CEAEHN COc1cc(-c2nccc(CN)n2)cc(Cl)c1OC ZINC000054791115 521908904 /nfs/dbraw/zinc/90/89/04/521908904.db2.gz DLKUUJPZAQXFKU-UHFFFAOYSA-N 0 3 279.727 2.273 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc2c(O)cccc12 ZINC000061316307 521944683 /nfs/dbraw/zinc/94/46/83/521944683.db2.gz NZDWOSIWBBXSLF-UHFFFAOYSA-N 0 3 258.321 2.482 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC000184502332 522052791 /nfs/dbraw/zinc/05/27/91/522052791.db2.gz OVYZQNRCSDQMBP-MRVPVSSYSA-N 0 3 288.725 2.394 10 0 CEAEHN CC[C@@H](C)N(C)c1nc(C)c(CNCCOC)s1 ZINC000054996749 522066439 /nfs/dbraw/zinc/06/64/39/522066439.db2.gz MSYQTFASHYUGNE-SNVBAGLBSA-N 0 3 271.430 2.422 10 0 CEAEHN CC[C@@H](C)N(CC)Cc1cccnc1C(N)=S ZINC000061659710 522085134 /nfs/dbraw/zinc/08/51/34/522085134.db2.gz STUGFKMLNLOLAA-SNVBAGLBSA-N 0 3 251.399 2.336 10 0 CEAEHN CNCc1cc(OC)c(OCC2CCOCC2)c(OC)c1 ZINC000052171336 522114202 /nfs/dbraw/zinc/11/42/02/522114202.db2.gz SXJZPAZYKHRPQB-UHFFFAOYSA-N 0 3 295.379 2.229 10 0 CEAEHN CNCc1ccc(Cn2ccc(C(F)(F)F)n2)o1 ZINC000052592474 522118595 /nfs/dbraw/zinc/11/85/95/522118595.db2.gz DEMUQQIJUMABIF-UHFFFAOYSA-N 0 3 259.231 2.263 10 0 CEAEHN CNCc1ccccc1NC(=O)c1cncc(F)c1 ZINC000156679081 522136811 /nfs/dbraw/zinc/13/68/11/522136811.db2.gz XVEJYLZSODHYDP-UHFFFAOYSA-N 0 3 259.284 2.192 10 0 CEAEHN CNCc1oc(Cn2cc(Br)cn2)cc1C ZINC000052577642 522159310 /nfs/dbraw/zinc/15/93/10/522159310.db2.gz KKJRWBOYTKFHIZ-UHFFFAOYSA-N 0 3 284.157 2.315 10 0 CEAEHN CNCc1oc(Cn2nnc(-c3ccccc3)n2)cc1C ZINC000052574724 522160513 /nfs/dbraw/zinc/16/05/13/522160513.db2.gz SGLOTIWZHIALFI-UHFFFAOYSA-N 0 3 283.335 2.009 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1ncccn1 ZINC000062746310 522331989 /nfs/dbraw/zinc/33/19/89/522331989.db2.gz TZXSNKZFWLQLSQ-JTQLQIEISA-N 0 3 261.300 2.475 10 0 CEAEHN CN[C@@H](CN1CCN(C)C1=O)c1cc2ccccc2o1 ZINC000052885600 522355139 /nfs/dbraw/zinc/35/51/39/522355139.db2.gz QWRDAGNEQGDIKF-LBPRGKRZSA-N 0 3 273.336 2.061 10 0 CEAEHN CN[C@@](C)(CCSCc1cccc(C)c1)C(N)=O ZINC000054966528 522413398 /nfs/dbraw/zinc/41/33/98/522413398.db2.gz ZLMXICWGGWJQAX-AWEZNQCLSA-N 0 3 266.410 2.082 10 0 CEAEHN CN[C@H](C)C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000054071534 522439330 /nfs/dbraw/zinc/43/93/30/522439330.db2.gz WVCGZVQTWRATDZ-ZCFIWIBFSA-N 0 3 269.757 2.496 10 0 CEAEHN CN[C@](CN1CCC(C(C)(C)C)CC1)(C(=O)OC)C1CC1 ZINC000069231564 522527496 /nfs/dbraw/zinc/52/74/96/522527496.db2.gz CYCJJFRHBYHVET-KRWDZBQOSA-N 0 3 296.455 2.286 10 0 CEAEHN CC[C@H](NS(=O)(=O)c1cccc([C@H](C)N)c1)C(C)C ZINC000049147326 522682419 /nfs/dbraw/zinc/68/24/19/522682419.db2.gz FHLFUJWLOCUYAI-FZMZJTMJSA-N 0 3 284.425 2.419 10 0 CEAEHN CC[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069142855 522712023 /nfs/dbraw/zinc/71/20/23/522712023.db2.gz DGLJJPDNOZUNOM-KGLIPLIRSA-N 0 3 285.384 2.444 10 0 CEAEHN CC[C@H](Oc1c(Cl)cc(Cl)cc1CN)C(N)=O ZINC000061675940 522867531 /nfs/dbraw/zinc/86/75/31/522867531.db2.gz ORXTZHWRDUCLLR-VIFPVBQESA-N 0 3 277.151 2.095 10 0 CEAEHN CN(CCO)CCOc1ccc(C(C)(C)C)cc1 ZINC000049634122 522881682 /nfs/dbraw/zinc/88/16/82/522881682.db2.gz CHWWHKOEDTXBQH-UHFFFAOYSA-N 0 3 251.370 2.287 10 0 CEAEHN CC[C@@H](NCc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000049130370 522896064 /nfs/dbraw/zinc/89/60/64/522896064.db2.gz VORWXDPUHVDEBX-GFCCVEGCSA-N 0 3 259.353 2.447 10 0 CEAEHN CC[C@@H](O)COc1c(C)cc(CNCCOC)cc1C ZINC000062728665 523008664 /nfs/dbraw/zinc/00/86/64/523008664.db2.gz JCPFAMQYJWOUHR-OAHLLOKOSA-N 0 3 281.396 2.189 10 0 CEAEHN CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1CN ZINC000049120940 523063568 /nfs/dbraw/zinc/06/35/68/523063568.db2.gz VGETWBHGNVPSIQ-GXTWGEPZSA-N 0 3 296.436 2.392 10 0 CEAEHN CC[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(CN)c2)C1 ZINC000068602189 523119969 /nfs/dbraw/zinc/11/99/69/523119969.db2.gz GJJHVYPHPCSICF-GXTWGEPZSA-N 0 3 296.436 2.392 10 0 CEAEHN CC[C@@H]1CCCC[C@@H]1OC[C@](NC1CC1)(C(N)=O)C1CC1 ZINC000069195865 523208743 /nfs/dbraw/zinc/20/87/43/523208743.db2.gz AGRJNYZTHTYFJQ-ISTRZQFTSA-N 0 3 294.439 2.358 10 0 CEAEHN CC[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000155948141 523301432 /nfs/dbraw/zinc/30/14/32/523301432.db2.gz KVNFPFKWWGWWSY-RDBSUJKOSA-N 0 3 267.417 2.301 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1Cc1cc(CNC)oc1C ZINC000052571210 523342887 /nfs/dbraw/zinc/34/28/87/523342887.db2.gz IQQGAXOVLCMUJI-FZMZJTMJSA-N 0 3 266.385 2.307 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1c1nc(C2CC2)c(CN)s1 ZINC000069181390 523353310 /nfs/dbraw/zinc/35/33/10/523353310.db2.gz HGNVDLLRTKUSQI-KOLCDFICSA-N 0 3 281.425 2.483 10 0 CEAEHN CN(Cc1ccnc(C(=N)N)c1)c1ccccc1F ZINC000068761794 523452515 /nfs/dbraw/zinc/45/25/15/523452515.db2.gz IVQNJXIQVHBEKM-UHFFFAOYSA-N 0 3 258.300 2.141 10 0 CEAEHN COCCN(C)c1nc2sccn2c1CNC(C)(C)C ZINC000062736983 523639892 /nfs/dbraw/zinc/63/98/92/523639892.db2.gz DTFGYANFZURBIO-UHFFFAOYSA-N 0 3 296.440 2.367 10 0 CEAEHN CCc1c(C)nn([C@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1C ZINC000068649189 523716015 /nfs/dbraw/zinc/71/60/15/523716015.db2.gz GCQDTQMYXRISHM-QLJPJBMISA-N 0 3 292.427 2.009 10 0 CEAEHN COCCN(Cc1ccc(Cl)cc1N)[C@@H](C)COC ZINC000050443188 523748280 /nfs/dbraw/zinc/74/82/80/523748280.db2.gz XLSYBYCKNTTZDN-NSHDSACASA-N 0 3 286.803 2.406 10 0 CEAEHN COCCN(c1ncccc1CNC(C)C)C1CC1 ZINC000051486907 523785654 /nfs/dbraw/zinc/78/56/54/523785654.db2.gz RIEOPAZXAGOSSH-UHFFFAOYSA-N 0 3 263.385 2.195 10 0 CEAEHN CN1CCCN(c2nc(C(C)(C)C)c(CO)s2)CC1 ZINC000055002600 523813677 /nfs/dbraw/zinc/81/36/77/523813677.db2.gz VQJBMJBQXJVZIO-UHFFFAOYSA-N 0 3 283.441 2.075 10 0 CEAEHN CN1CCC[C@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052905563 523844429 /nfs/dbraw/zinc/84/44/29/523844429.db2.gz LQUXXCGESPUSMT-VIFPVBQESA-N 0 3 283.828 2.480 10 0 CEAEHN CC[C@H](C)N(CCOC)c1nc(C)c(CN)s1 ZINC000055001129 523938921 /nfs/dbraw/zinc/93/89/21/523938921.db2.gz XBLQKXBNAIQRCL-VIFPVBQESA-N 0 3 257.403 2.162 10 0 CEAEHN COCCNC[C@H](O)c1ccc(Cl)cc1Cl ZINC000055030550 523943317 /nfs/dbraw/zinc/94/33/17/523943317.db2.gz LQJYQDJYYPJHJF-NSHDSACASA-N 0 3 264.152 2.263 10 0 CEAEHN COCCNCc1cc(Cl)ccc1OCC(C)(C)O ZINC000062731039 523948604 /nfs/dbraw/zinc/94/86/04/523948604.db2.gz PUFMLGOVORXLLU-UHFFFAOYSA-N 0 3 287.787 2.226 10 0 CEAEHN COCCNCc1ccccc1-n1cnc(C)c1C ZINC000062738916 523954820 /nfs/dbraw/zinc/95/48/20/523954820.db2.gz OVHSWRBWVLERGQ-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@H](O)c2ccc(OC)cc2)CC1 ZINC000055069699 523955794 /nfs/dbraw/zinc/95/57/94/523955794.db2.gz XXZAHGYWPOZDTA-YOEHRIQHSA-N 0 3 292.423 2.145 10 0 CEAEHN CC[C@H](C)N1CCN([C@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055069448 523959295 /nfs/dbraw/zinc/95/92/95/523959295.db2.gz GVBZXMDHCPJUBA-WBAXXEDZSA-N 0 3 288.435 2.451 10 0 CEAEHN COC(=O)[C@](C)(C[C@H](C)N1CCCCC1)NC(C)C ZINC000068620305 524000355 /nfs/dbraw/zinc/00/03/55/524000355.db2.gz SFTAQPRJJARDDM-ZFWWWQNUSA-N 0 3 270.417 2.181 10 0 CEAEHN CCc1ccc([C@H](CN)N(C)C[C@@H]2CCCCO2)o1 ZINC000051725774 524048442 /nfs/dbraw/zinc/04/84/42/524048442.db2.gz DHVSTPWDCCSWID-KBPBESRZSA-N 0 3 266.385 2.343 10 0 CEAEHN CCc1ccc([C@H](Cn2nc(C)ccc2=O)NC)cc1 ZINC000061810265 524051192 /nfs/dbraw/zinc/05/11/92/524051192.db2.gz KAERPOWGXKJCKW-HNNXBMFYSA-N 0 3 271.364 2.075 10 0 CEAEHN CNC(=O)CCCOc1ccc2ccccc2c1CN ZINC000068816497 524065509 /nfs/dbraw/zinc/06/55/09/524065509.db2.gz BWAPRMUXSAKKJM-UHFFFAOYSA-N 0 3 272.348 2.204 10 0 CEAEHN CNC(=O)CN(C)c1cccc(Cl)c1CNC(C)(C)C ZINC000062735655 524071521 /nfs/dbraw/zinc/07/15/21/524071521.db2.gz BHFLRAQNOCCHJL-UHFFFAOYSA-N 0 3 297.830 2.410 10 0 CEAEHN Cc1ccc(C)c(OCC[C@H](NC(C)C)C(N)=O)c1C ZINC000062594476 524179967 /nfs/dbraw/zinc/17/99/67/524179967.db2.gz BYOWRCJVKOMYEG-AWEZNQCLSA-N 0 3 278.396 2.233 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1cccc2c1NCCC2 ZINC000050957957 524317284 /nfs/dbraw/zinc/31/72/84/524317284.db2.gz KCGRLUNIPQNWRK-CYBMUJFWSA-N 0 3 287.407 2.259 10 0 CEAEHN Cc1cc(C)c([C@@H](N)Cn2ccc(=O)cc2)c(C)c1 ZINC000061627973 524332027 /nfs/dbraw/zinc/33/20/27/524332027.db2.gz UYNUKJXVYFMLEC-HNNXBMFYSA-N 0 3 256.349 2.474 10 0 CEAEHN COc1ccc(N(C)c2ccnc(C(=N)N)c2)cc1 ZINC000061814332 524357894 /nfs/dbraw/zinc/35/78/94/524357894.db2.gz JZHSOGIZQAUGQK-UHFFFAOYSA-N 0 3 256.309 2.142 10 0 CEAEHN Cc1cc(C)cc(N(C)C(=O)c2cc[nH]c(=NN)c2)c1 ZINC000051118132 524405267 /nfs/dbraw/zinc/40/52/67/524405267.db2.gz XDUHAYRAEFHVOL-UHFFFAOYSA-N 0 3 270.336 2.261 10 0 CEAEHN C[C@H]1CN(CCCCCn2cccn2)C[C@H](C)O1 ZINC000068454855 524591271 /nfs/dbraw/zinc/59/12/71/524591271.db2.gz CNBRNWJJZMFMEV-KBPBESRZSA-N 0 3 251.374 2.163 10 0 CEAEHN C[C@@H](CN1CCCC1)NCC(=O)Nc1cccc(Cl)c1 ZINC000049180343 524591784 /nfs/dbraw/zinc/59/17/84/524591784.db2.gz ZOWYPQSTLSXHDY-LBPRGKRZSA-N 0 3 295.814 2.352 10 0 CEAEHN COc1ccc(NC(=O)[C@H]2CCC[C@H](C)N2)c(C)c1 ZINC000061568483 524615054 /nfs/dbraw/zinc/61/50/54/524615054.db2.gz JSVFIFFPRGZLOT-SMDDNHRTSA-N 0 3 262.353 2.473 10 0 CEAEHN Cc1cc(CN2CCO[C@@H](C)C2)oc1CNC(C)C ZINC000052382810 524700285 /nfs/dbraw/zinc/70/02/85/524700285.db2.gz ZYOFSMRVUMDUPP-ZDUSSCGKSA-N 0 3 266.385 2.307 10 0 CEAEHN Cc1cccc(OCC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000155752262 524720260 /nfs/dbraw/zinc/72/02/60/524720260.db2.gz NUJCXRKUWMKFMD-GOEBONIOSA-N 0 3 290.407 2.219 10 0 CEAEHN COc1ccc(OC)c(CN[C@@H](CN(C)C)C(C)C)c1 ZINC000049196516 524839889 /nfs/dbraw/zinc/83/98/89/524839889.db2.gz ZYDAMKQOBQUZIB-HNNXBMFYSA-N 0 3 280.412 2.380 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(N)=O)Oc1ccc(F)cc1F ZINC000068654785 524863495 /nfs/dbraw/zinc/86/34/95/524863495.db2.gz BSJYHGITVANYAG-VFZGTOFNSA-N 0 3 298.333 2.118 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[NH+](CC1CC1)CC1CC1 ZINC000068647971 524864404 /nfs/dbraw/zinc/86/44/04/524864404.db2.gz MYOZOTYXJIRFEO-SJCJKPOMSA-N 0 3 294.439 2.482 10 0 CEAEHN Cc1ccc(N(C)C(=O)c2cc[nH]c(=NN)c2)c(C)c1 ZINC000051117179 524884569 /nfs/dbraw/zinc/88/45/69/524884569.db2.gz CAAWTEWJVRQDLW-UHFFFAOYSA-N 0 3 270.336 2.261 10 0 CEAEHN C[C@@H](Cc1c(F)cccc1F)NCc1cnccn1 ZINC000054766496 524884782 /nfs/dbraw/zinc/88/47/82/524884782.db2.gz XIUWYOMUFKIGJK-JTQLQIEISA-N 0 3 263.291 2.476 10 0 CEAEHN C[C@@H]1CN([C@@H]2Cc3ccccc3[C@@H]2N)CC(C)(C)O1 ZINC000045685265 525057436 /nfs/dbraw/zinc/05/74/36/525057436.db2.gz OGJVSQHVXXEWRU-DFBGVHRSSA-N 0 3 260.381 2.110 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc(F)cc1Cl ZINC000069133201 525100898 /nfs/dbraw/zinc/10/08/98/525100898.db2.gz MTOVZFXVTKQKJL-DTORHVGOSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@H](NC(=O)[C@@H](CN)c1ccccc1)c1cccc(O)c1 ZINC000061611633 525129933 /nfs/dbraw/zinc/12/99/33/525129933.db2.gz PVVKBJLVINEWHF-LRDDRELGSA-N 0 3 284.359 2.312 10 0 CEAEHN C[C@](N)(C(=O)NCc1ccccc1C(F)(F)F)C1CC1 ZINC000061626983 525145053 /nfs/dbraw/zinc/14/50/53/525145053.db2.gz KCVPACRDUYMEAF-CYBMUJFWSA-N 0 3 286.297 2.449 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](CN)c1ccccc1)c1cccnc1 ZINC000061611304 525262528 /nfs/dbraw/zinc/26/25/28/525262528.db2.gz AGPSJMSZHFAZLP-DOMZBBRYSA-N 0 3 269.348 2.001 10 0 CEAEHN Cc1ccccc1[C@@H](C)NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049631496 525361619 /nfs/dbraw/zinc/36/16/19/525361619.db2.gz QQVONINEBPFMJN-ZIAGYGMSSA-N 0 3 296.436 2.118 10 0 CEAEHN C[C@@H](NCCc1ccsc1)C(=O)N1CCCCC1 ZINC000049181366 525465139 /nfs/dbraw/zinc/46/51/39/525465139.db2.gz OHSRPNVRCKKRJD-GFCCVEGCSA-N 0 3 266.410 2.281 10 0 CEAEHN Cc1cc([C@@H](CN)N2CCOC(C)(C)C2)ccc1F ZINC000050546110 525480412 /nfs/dbraw/zinc/48/04/12/525480412.db2.gz QPSYOANJZSDIGH-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)N(C)Cc1ccccc1 ZINC000183104587 525524142 /nfs/dbraw/zinc/52/41/42/525524142.db2.gz YRUSQSJLNKSCBK-DZKIICNBSA-N 0 3 290.407 2.191 10 0 CEAEHN CSC[C@@H](C)CNCC(=O)Nc1ccccc1 ZINC000069447848 525622189 /nfs/dbraw/zinc/62/21/89/525622189.db2.gz VAGTVISTIGQBQO-NSHDSACASA-N 0 3 252.383 2.214 10 0 CEAEHN Cc1ccc([C@H]([C@H](C)N)N(CCO)Cc2ccccc2)o1 ZINC000050513894 525980751 /nfs/dbraw/zinc/98/07/51/525980751.db2.gz RJKZVAIBTGAKOT-YOEHRIQHSA-N 0 3 288.391 2.471 10 0 CEAEHN COc1cccc(N(C)c2ccnc(C(=N)N)c2)c1 ZINC000061814330 526131409 /nfs/dbraw/zinc/13/14/09/526131409.db2.gz LAWCYYAKVMFCLS-UHFFFAOYSA-N 0 3 256.309 2.142 10 0 CEAEHN Cc1ccc(C)c(-n2nnnc2CNCC(C)C)c1 ZINC000054744182 526258186 /nfs/dbraw/zinc/25/81/86/526258186.db2.gz AWXUIFNCJRKVOC-UHFFFAOYSA-N 0 3 259.357 2.025 10 0 CEAEHN Fc1ccc(COC2CNC2)cc1Br ZINC000062810001 526341832 /nfs/dbraw/zinc/34/18/32/526341832.db2.gz IBZNNHWEFJUVFV-UHFFFAOYSA-N 0 3 260.106 2.077 10 0 CEAEHN c1cc(CNC2CC2)c(CN2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000052540176 526427310 /nfs/dbraw/zinc/42/73/10/526427310.db2.gz UUTXUWDVRYCAQC-LSDHHAIUSA-N 0 3 276.380 2.285 10 0 CEAEHN Cc1oc(CN)cc1CN(C)CCc1ccncc1 ZINC000052483104 526768550 /nfs/dbraw/zinc/76/85/50/526768550.db2.gz SOJWARGELRTMSL-UHFFFAOYSA-N 0 3 259.353 2.116 10 0 CEAEHN Cc1nc(CNC[C@@H](c2ccccc2)N(C)C)c[nH]1 ZINC000054798178 526886830 /nfs/dbraw/zinc/88/68/30/526886830.db2.gz QLHJPXCVOKBEIL-HNNXBMFYSA-N 0 3 258.369 2.111 10 0 CEAEHN Cc1nc(N2CCCSCC2)sc1[C@H](C)N ZINC000054898639 526964319 /nfs/dbraw/zinc/96/43/19/526964319.db2.gz UHKVQPVTEILQIU-QMMMGPOBSA-N 0 3 257.428 2.415 10 0 CEAEHN Cc1nc(N2C[C@H](C)OC(C)(C)C2)sc1[C@@H](C)N ZINC000054897631 526973390 /nfs/dbraw/zinc/97/33/90/526973390.db2.gz SZYCKBCFTTUKRY-DTWKUNHWSA-N 0 3 269.414 2.475 10 0 CEAEHN NC[C@@H](C(=O)N(CC(F)(F)F)C1CC1)c1ccccc1 ZINC000061613008 527200902 /nfs/dbraw/zinc/20/09/02/527200902.db2.gz FYLYXMYWLNPBQQ-GFCCVEGCSA-N 0 3 286.297 2.282 10 0 CEAEHN NC[C@H](C(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000061611780 527224107 /nfs/dbraw/zinc/22/41/07/527224107.db2.gz AIZFNRIGERXBHE-AWEZNQCLSA-N 0 3 256.305 2.073 10 0 CEAEHN NCc1cccc(NC(=O)CN2Cc3ccccc3C2)c1 ZINC000050910509 527259468 /nfs/dbraw/zinc/25/94/68/527259468.db2.gz MSDRGLYIWDRJLM-UHFFFAOYSA-N 0 3 281.359 2.100 10 0 CEAEHN NCc1cnc(C2(c3ccccc3)CCOCC2)nc1 ZINC000062784133 527261399 /nfs/dbraw/zinc/26/13/99/527261399.db2.gz FCEJOIQUMQOBIB-UHFFFAOYSA-N 0 3 269.348 2.032 10 0 CEAEHN NCc1ncccc1CSc1nnc2n1CCCCC2 ZINC000061657932 527267266 /nfs/dbraw/zinc/26/72/66/527267266.db2.gz IWPBBRSXQBNFFD-UHFFFAOYSA-N 0 3 289.408 2.151 10 0 CEAEHN NNc1cc(C(=O)Nc2cnc3ccccc3c2)ccn1 ZINC000055142767 527274518 /nfs/dbraw/zinc/27/45/18/527274518.db2.gz LFSGACMPKGZVNE-UHFFFAOYSA-N 0 3 279.303 2.168 10 0 CEAEHN NN=c1cc(C(=O)Nc2cnc3ccccc3c2)cc[nH]1 ZINC000055142767 527274525 /nfs/dbraw/zinc/27/45/25/527274525.db2.gz LFSGACMPKGZVNE-UHFFFAOYSA-N 0 3 279.303 2.168 10 0 CEAEHN N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1COCCO1 ZINC000055299130 527339126 /nfs/dbraw/zinc/33/91/26/527339126.db2.gz GBANYBUJRQHRND-MNOVXSKESA-N 0 3 262.136 2.409 10 0 CEAEHN Cc1ncsc1CCOc1ccc2c(c1)OC[C@H]2N ZINC000062803616 527492267 /nfs/dbraw/zinc/49/22/67/527492267.db2.gz JHKSDCHINPESPY-GFCCVEGCSA-N 0 3 276.361 2.465 10 0 CEAEHN Cc1ncsc1CCn1ccnc1CNC(C)C ZINC000051005605 527493071 /nfs/dbraw/zinc/49/30/71/527493071.db2.gz HTGFNCONRFWECN-UHFFFAOYSA-N 0 3 264.398 2.389 10 0 CEAEHN OCc1ccc(CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000182749552 527631131 /nfs/dbraw/zinc/63/11/31/527631131.db2.gz AMQKGPVPKBMKDJ-UHFFFAOYSA-N 0 3 298.390 2.045 10 0 CEAEHN O[C@@H](CNC1CC1)c1cc(Br)cs1 ZINC000055029380 527651400 /nfs/dbraw/zinc/65/14/00/527651400.db2.gz VXGQNYPVCQWCMP-QMMMGPOBSA-N 0 3 262.172 2.296 10 0 CEAEHN FC(F)(F)CO[C@@H]1CCC[C@@H](NCc2ccncn2)C1 ZINC000054789531 527672236 /nfs/dbraw/zinc/67/22/36/527672236.db2.gz GOYVXJXBYDUSAB-ZYHUDNBSSA-N 0 3 289.301 2.456 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)CCc2cccs2)C1 ZINC000174236268 529086887 /nfs/dbraw/zinc/08/68/87/529086887.db2.gz ICRWVUAQDIQIBU-ZDUSSCGKSA-N 0 3 295.452 2.416 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C(C)C)C2CC2)C1 ZINC000175953722 529087152 /nfs/dbraw/zinc/08/71/52/529087152.db2.gz CVUZMSFUQBGBBQ-LBPRGKRZSA-N 0 3 253.390 2.053 10 0 CEAEHN CC[C@@H](O)CCN[C@H](C)c1c(C)nn(CC)c1C ZINC000132819754 529224568 /nfs/dbraw/zinc/22/45/68/529224568.db2.gz XUALYNBJEFGGTL-ZWNOBZJWSA-N 0 3 253.390 2.331 10 0 CEAEHN CC[C@@H](C)N1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407656 535566023 /nfs/dbraw/zinc/56/60/23/535566023.db2.gz BMJXWEGBKVEAHL-LLVKDONJSA-N 0 3 295.427 2.380 10 0 CEAEHN CC[C@@H]1CNCCN1c1ncc(Br)cc1C ZINC000086709036 535825184 /nfs/dbraw/zinc/82/51/84/535825184.db2.gz FVJGZJJPCOUFLI-LLVKDONJSA-N 0 3 284.201 2.341 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1c1cncc(CNC(C)(C)C)n1 ZINC000091420722 536171451 /nfs/dbraw/zinc/17/14/51/536171451.db2.gz TYQNVQJJWSCUMT-OCCSQVGLSA-N 0 3 292.427 2.368 10 0 CEAEHN CN[C@@H]1CCCN(c2ccc(C)cc2Br)C1=O ZINC000071037995 536365869 /nfs/dbraw/zinc/36/58/69/536365869.db2.gz QKPKUYZJUPOTFT-LLVKDONJSA-N 0 3 297.196 2.472 10 0 CEAEHN CCOC(=O)C1=C(O)CCCN(Cc2ccccc2)CC1 ZINC000299805263 570330258 /nfs/dbraw/zinc/33/02/58/570330258.db2.gz GLLKNHGGZDESFR-OAHLLOKOSA-N 0 3 289.375 2.421 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)NC1=O)c1ccc(C(C)(C)C)cc1 ZINC000089753233 623468467 /nfs/dbraw/zinc/46/84/67/623468467.db2.gz RGBMPTXTJMALGZ-SMDDNHRTSA-N 0 3 288.391 2.440 10 0 CEAEHN CCN1C[C@@H](C)[C@@H](NCc2occc2Br)C1 ZINC000309664325 625248329 /nfs/dbraw/zinc/24/83/29/625248329.db2.gz SQRRLFKPXFRWDG-KOLCDFICSA-N 0 3 287.201 2.472 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000236896883 628740828 /nfs/dbraw/zinc/74/08/28/628740828.db2.gz GOYSSXAUBBDYQD-GXFFZTMASA-N 0 3 280.416 2.321 10 0 CEAEHN Cn1cc([C@@H]2CCCN2Cc2cccc(N)c2)cn1 ZINC000261583211 628942240 /nfs/dbraw/zinc/94/22/40/628942240.db2.gz HCASDRHOLALOTA-HNNXBMFYSA-N 0 3 256.353 2.339 10 0 CEAEHN CCOc1ccccc1CN1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996697 628945967 /nfs/dbraw/zinc/94/59/67/628945967.db2.gz TZNTTZATEGXSJW-GXTWGEPZSA-N 0 3 277.364 2.326 10 0 CEAEHN N[C@H](CC1CCCCC1)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000261768341 629188610 /nfs/dbraw/zinc/18/86/10/629188610.db2.gz VRDXZOJSKKDRPH-PMPSAXMXSA-N 0 3 294.439 2.454 10 0 CEAEHN CCn1nc(CNC2CC(OC)C2)c2ccccc21 ZINC000225383037 639492194 /nfs/dbraw/zinc/49/21/94/639492194.db2.gz XCLHJMJHHBJSSX-UHFFFAOYSA-N 0 3 259.353 2.323 10 0 CEAEHN CCN1CCC[C@H](NC(=S)NC2CCCCC2)C1 ZINC000060432111 639615461 /nfs/dbraw/zinc/61/54/61/639615461.db2.gz GHIYAUJBFSWPDD-ZDUSSCGKSA-N 0 3 269.458 2.268 10 0 CEAEHN CCOCCN1CCN(C/C=C/Cl)C[C@H]1CC ZINC000105915052 640974346 /nfs/dbraw/zinc/97/43/46/640974346.db2.gz QNHKQSIBWQIHLH-URWSZGRFSA-N 0 3 260.809 2.172 10 0 CEAEHN COc1cc(C)ccc1-c1noc([C@H]2CCCN2)n1 ZINC000211873812 651887834 /nfs/dbraw/zinc/88/78/34/651887834.db2.gz BIJHURJWVSHWRV-LLVKDONJSA-N 0 3 259.309 2.478 10 0 CEAEHN NNc1ccc(Cl)c(CSc2ccncn2)n1 ZINC000082536264 178088985 /nfs/dbraw/zinc/08/89/85/178088985.db2.gz GAMFXULNLAXNHI-UHFFFAOYSA-N 0 3 267.745 2.103 10 0 CEAEHN N[C@@H](Cn1cc(Br)cn1)c1ccccc1 ZINC000082582957 178119767 /nfs/dbraw/zinc/11/97/67/178119767.db2.gz FKTSWKZDDXZOAX-NSHDSACASA-N 0 3 266.142 2.346 10 0 CEAEHN C[C@H]1C[C@@H]1CN(C)Cc1nc(NN)ccc1Cl ZINC000082650043 178141619 /nfs/dbraw/zinc/14/16/19/178141619.db2.gz JBENRDNEFCKQCR-DTWKUNHWSA-N 0 3 254.765 2.108 10 0 CEAEHN C[C@@H]1C[C@H]1CN(C)c1ncc(Br)cc1CN ZINC000082650287 178141669 /nfs/dbraw/zinc/14/16/69/178141669.db2.gz OZFYHFJXKLJYGA-SCZZXKLOSA-N 0 3 284.201 2.395 10 0 CEAEHN COCCNCc1cnn(-c2ccc(C)cc2)c1C ZINC000082667221 178155653 /nfs/dbraw/zinc/15/56/53/178155653.db2.gz FNLBAZDWHPNRNJ-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN O=C(N[C@@H]1CCC12CCCC2)N1CC[C@@H](N2CC=CC2)C1 ZINC000336540817 365619729 /nfs/dbraw/zinc/61/97/29/365619729.db2.gz BWASUKNXFSMWEZ-HUUCEWRRSA-N 0 3 289.423 2.365 10 0 CEAEHN COCCN1CC[C@@]12CCN(Cc1cccc(F)c1)C2 ZINC000096075931 185090348 /nfs/dbraw/zinc/09/03/48/185090348.db2.gz QUTMSNZMTUHRMK-MRXNPFEDSA-N 0 3 278.371 2.122 10 0 CEAEHN COc1cccc(CN2CCC[C@]3(C[C@H](OC)CO3)C2)c1 ZINC000096107428 185100160 /nfs/dbraw/zinc/10/01/60/185100160.db2.gz QXRDKWZSBDPMSJ-IRXDYDNUSA-N 0 3 291.391 2.465 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)CC2CCC(C)(C)CC2)CCO1 ZINC000152085702 282136905 /nfs/dbraw/zinc/13/69/05/282136905.db2.gz OVPRNPFAXFJRFX-HNNXBMFYSA-N 0 3 296.455 2.382 10 0 CEAEHN CNCC(=O)N1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000193131514 290638825 /nfs/dbraw/zinc/63/88/25/290638825.db2.gz FAEFDKCDWJBIKT-CMPLNLGQSA-N 0 3 250.342 2.107 10 0 CEAEHN Cc1cc(Br)cc2c1NC[C@]21C[C@@H]1N ZINC000725247298 539192362 /nfs/dbraw/zinc/19/23/62/539192362.db2.gz LXBCVNIIDXHMMF-GXSJLCMTSA-N 0 3 253.143 2.152 10 0 CEAEHN Cc1nccnc1CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000621726101 349680655 /nfs/dbraw/zinc/68/06/55/349680655.db2.gz JYQVZAZDDNECIZ-BMFZPTHFSA-N 0 3 275.396 2.301 10 0 CEAEHN C[C@H](c1cnn(CC2CCC2)c1)N(C)C[C@H](C)O ZINC000725264115 539212630 /nfs/dbraw/zinc/21/26/30/539212630.db2.gz DBFUTZLCJMNTJC-NWDGAFQWSA-N 0 3 251.374 2.057 10 0 CEAEHN C[C@@H](C(=O)N1CCC2(CC1)CNC[C@H](C)O2)C(C)(C)C ZINC000725271323 539215303 /nfs/dbraw/zinc/21/53/03/539215303.db2.gz CFUPHRNMFADUSR-STQMWFEESA-N 0 3 282.428 2.038 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000172605140 539238933 /nfs/dbraw/zinc/23/89/33/539238933.db2.gz NJNDLJJOVAMCIY-HYVNUMGLSA-N 0 3 284.403 2.405 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CC[C@H]1CCOC1 ZINC000300420442 539250165 /nfs/dbraw/zinc/25/01/65/539250165.db2.gz JIIULZUPHIFAPE-ARFHVFGLSA-N 0 3 266.429 2.362 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)Nc2ccc(F)nc2)[C@@H](C)C1 ZINC000126231047 187226376 /nfs/dbraw/zinc/22/63/76/187226376.db2.gz BGEBWGNLUCFVRD-JQWIXIFHSA-N 0 3 280.347 2.071 10 0 CEAEHN N[C@H]1CCC[S@](=O)c2c(Br)cccc21 ZINC000040977257 362011091 /nfs/dbraw/zinc/01/10/91/362011091.db2.gz FCWPIJRWQWVDCS-LKFCYVNXSA-N 0 3 274.183 2.350 10 0 CEAEHN CC[C@H](O)CN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000174077581 529702398 /nfs/dbraw/zinc/70/23/98/529702398.db2.gz IRFPEBXCPMXEFP-WMZOPIPTSA-N 0 3 288.435 2.453 10 0 CEAEHN Cc1noc2ncnc(NCc3ccc4c(c3)CNC4)c12 ZINC000097830025 539307591 /nfs/dbraw/zinc/30/75/91/539307591.db2.gz MUOCSSQQTSLLSB-UHFFFAOYSA-N 0 3 281.319 2.142 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007718 343424929 /nfs/dbraw/zinc/42/49/29/343424929.db2.gz QIHFJHXDBSRYRR-UFBFGSQYSA-N 0 3 256.296 2.269 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000037166303 343425999 /nfs/dbraw/zinc/42/59/99/343425999.db2.gz GZKLEJQLADTNFI-IRXDYDNUSA-N 0 3 285.391 2.325 10 0 CEAEHN COc1ccc(CN[C@@H]2CCC[C@@H](O)C2)c(OC)c1OC ZINC000037164396 343426098 /nfs/dbraw/zinc/42/60/98/343426098.db2.gz QLNVQJRXESGHGN-CHWSQXEVSA-N 0 3 295.379 2.106 10 0 CEAEHN COc1cc(CN[C@H]2CCC[C@@H](O)C2)cc(OC)c1OC ZINC000037164269 343426193 /nfs/dbraw/zinc/42/61/93/343426193.db2.gz GOHAMCMBAWJBBY-QWHCGFSZSA-N 0 3 295.379 2.106 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(OC)c1F ZINC000128025065 187346622 /nfs/dbraw/zinc/34/66/22/187346622.db2.gz QZZJSOGGXZDHQW-GFCCVEGCSA-N 0 3 294.370 2.391 10 0 CEAEHN CN(C)CCNc1nccc(Oc2ccc(F)cc2)n1 ZINC000090998316 344147609 /nfs/dbraw/zinc/14/76/09/344147609.db2.gz IIQSPNYLXVVTCO-UHFFFAOYSA-N 0 3 276.315 2.382 10 0 CEAEHN CCO[C@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000114503695 344279923 /nfs/dbraw/zinc/27/99/23/344279923.db2.gz LNZGPJMJLYDWJG-SJORKVTESA-N 0 3 293.407 2.065 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000134567654 344375367 /nfs/dbraw/zinc/37/53/67/344375367.db2.gz DYFXEHBOCRNWGV-AAEUAGOBSA-N 0 3 284.350 2.336 10 0 CEAEHN Cc1nc2cc(NC(=O)[C@@]3(C)CCCCN3)ccc2[nH]1 ZINC000136168778 344384340 /nfs/dbraw/zinc/38/43/40/344384340.db2.gz WNXYEUOCUFTETR-OAHLLOKOSA-N 0 3 272.352 2.342 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCN2C)[C@@H]1C ZINC000139294408 344392779 /nfs/dbraw/zinc/39/27/79/344392779.db2.gz JVFBHZOVBCRDIC-MQYQWHSLSA-N 0 3 267.417 2.205 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCCc2ccccn2)C1 ZINC000170903787 344492327 /nfs/dbraw/zinc/49/23/27/344492327.db2.gz KRHMDVJIGATULA-HNNXBMFYSA-N 0 3 275.396 2.005 10 0 CEAEHN C[C@H](NC[C@@H](O)COC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000192477551 344517149 /nfs/dbraw/zinc/51/71/49/344517149.db2.gz KCMGXPGXHXMPOQ-WCQYABFASA-N 0 3 295.379 2.242 10 0 CEAEHN CCCCOC[C@@H](O)CNCc1cscc1C ZINC000227894447 344557558 /nfs/dbraw/zinc/55/75/58/344557558.db2.gz HTXZDDHYKBWEFU-ZDUSSCGKSA-N 0 3 257.399 2.324 10 0 CEAEHN CNCc1cccc(C)c1I ZINC000234440352 344585159 /nfs/dbraw/zinc/58/51/59/344585159.db2.gz ONZBFGZQRNGPNE-UHFFFAOYSA-N 0 3 261.106 2.319 10 0 CEAEHN NCc1cnc(OC(F)(F)F)c(Br)c1 ZINC000238569945 344606440 /nfs/dbraw/zinc/60/64/40/344606440.db2.gz ONWFBNIXIRGCMC-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN C[C@H](N)c1sccc1I ZINC000238437854 344606727 /nfs/dbraw/zinc/60/67/27/344606727.db2.gz RTYIRPMPKRHQHF-BYPYZUCNSA-N 0 3 253.108 2.372 10 0 CEAEHN NCc1ncc(OC(F)(F)F)cc1Br ZINC000238609309 344607046 /nfs/dbraw/zinc/60/70/46/344607046.db2.gz SFZRWPJPKOWLCK-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN C(=C\c1ccccc1)\CN1CC[C@H](N2CCOCC2)C1 ZINC000255726093 344646568 /nfs/dbraw/zinc/64/65/68/344646568.db2.gz GQFVCXSLEKMQFF-IMXKFXGHSA-N 0 3 272.392 2.106 10 0 CEAEHN N[C@H](CC1CCC1)c1ncncc1Br ZINC000307662305 344723672 /nfs/dbraw/zinc/72/36/72/344723672.db2.gz XNWIVKZUEORPBZ-SECBINFHSA-N 0 3 256.147 2.429 10 0 CEAEHN C[C@@H]1CS[C@]2(CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000306594053 344715142 /nfs/dbraw/zinc/71/51/42/344715142.db2.gz XHRUYGWQJFUQCZ-SKDRFNHKSA-N 0 3 258.387 2.048 10 0 CEAEHN CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1=O ZINC000396930741 344849962 /nfs/dbraw/zinc/84/99/62/344849962.db2.gz PBLJRPPLECJZPR-CQSZACIVSA-N 0 3 289.375 2.419 10 0 CEAEHN COC(=O)[C@@H]1CCCN(CCc2ncc(C)cc2C)C1 ZINC000401070899 344866032 /nfs/dbraw/zinc/86/60/32/344866032.db2.gz JMOZYRODIWHVJP-CQSZACIVSA-N 0 3 276.380 2.126 10 0 CEAEHN Fc1cc(CN2CC[C@H]3OCCN[C@H]3C2)ccc1Cl ZINC000404288399 344879101 /nfs/dbraw/zinc/87/91/01/344879101.db2.gz YVDPYVQXRKBVQL-UONOGXRCSA-N 0 3 284.762 2.042 10 0 CEAEHN NCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F ZINC000584636925 344971259 /nfs/dbraw/zinc/97/12/59/344971259.db2.gz JBQXQQXYRGQQPO-UHFFFAOYSA-N 0 3 272.205 2.155 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000054074915 362510745 /nfs/dbraw/zinc/51/07/45/362510745.db2.gz QKMCQQPAQFAGBJ-BDAKNGLRSA-N 0 3 256.296 2.092 10 0 CEAEHN Cc1ccc(S[C@H](C)C[C@@](C)(N)C(N)=O)c(C)c1 ZINC000084347091 178860417 /nfs/dbraw/zinc/86/04/17/178860417.db2.gz LCRJWLYDFKGHIA-BXUZGUMPSA-N 0 3 266.410 2.377 10 0 CEAEHN CCN[C@@H](COCC)c1cccc2c1OCCO2 ZINC000097303740 185581434 /nfs/dbraw/zinc/58/14/34/185581434.db2.gz QVEIWMMKORSREE-LBPRGKRZSA-N 0 3 251.326 2.145 10 0 CEAEHN Cc1ncsc1[C@H](N)[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310749 185583971 /nfs/dbraw/zinc/58/39/71/185583971.db2.gz FJSXDXVYYJZSBZ-VXGBXAGGSA-N 0 3 282.409 2.427 10 0 CEAEHN Cc1ccccc1OC[C@](N)(CO)c1ccccc1 ZINC000085285005 179002573 /nfs/dbraw/zinc/00/25/73/179002573.db2.gz GSLIMRLNKGBZHY-MRXNPFEDSA-N 0 3 257.333 2.220 10 0 CEAEHN N[C@H](CN1CC(=O)Nc2ccccc21)c1ccccc1 ZINC000111340076 136561376 /nfs/dbraw/zinc/56/13/76/136561376.db2.gz TVJJXRSIPZBINI-CYBMUJFWSA-N 0 3 267.332 2.145 10 0 CEAEHN CN(C)C(C)(C)[C@H](O)c1occc1Br ZINC000085735753 179134082 /nfs/dbraw/zinc/13/40/82/179134082.db2.gz MGOJPPMUJZEGER-SECBINFHSA-N 0 3 262.147 2.416 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000236914158 370653167 /nfs/dbraw/zinc/65/31/67/370653167.db2.gz SETZTOJYQOZNAO-QWHCGFSZSA-N 0 3 250.317 2.057 10 0 CEAEHN CN[C@@H](CCO)C[S@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927493 179202182 /nfs/dbraw/zinc/20/21/82/179202182.db2.gz WQEIBJLMGDZVDY-ORAYPTAESA-N 0 3 283.437 2.062 10 0 CEAEHN C[C@@H](O)CCNCc1cccc(NC(=O)C(F)(F)F)c1 ZINC000085983666 179210773 /nfs/dbraw/zinc/21/07/73/179210773.db2.gz PXRDCSAZVIIBCC-SECBINFHSA-N 0 3 290.285 2.048 10 0 CEAEHN C[C@H]1[C@H](NC(=O)[C@@H](CN)c2ccccc2)CC[C@@H]1C ZINC000086073943 179225031 /nfs/dbraw/zinc/22/50/31/179225031.db2.gz VHEUFQAMLORGDK-MYZSUADSSA-N 0 3 260.381 2.280 10 0 CEAEHN C[C@H]1[C@H](NC(=O)[C@H](N)Cc2ccccc2)CC[C@@H]1C ZINC000086075462 179225252 /nfs/dbraw/zinc/22/52/52/179225252.db2.gz LUTGZTCGWDFWGE-CTHBEMJXSA-N 0 3 260.381 2.107 10 0 CEAEHN N[C@H](c1csc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086020180 179218214 /nfs/dbraw/zinc/21/82/14/179218214.db2.gz RMAPDAHBOYUOLE-ZANVPECISA-N 0 3 281.402 2.336 10 0 CEAEHN CCCN(c1nc(Br)cs1)C1CNC1 ZINC000086291062 179265508 /nfs/dbraw/zinc/26/55/08/179265508.db2.gz ZZYBFFBGTMGWST-UHFFFAOYSA-N 0 3 276.203 2.094 10 0 CEAEHN C[C@@H]1[C@@H](N)c2cc(Cl)ccc2S(=O)(=O)[C@H]1C ZINC000086308932 179268442 /nfs/dbraw/zinc/26/84/42/179268442.db2.gz RZBWRKFETFZZLO-OKTBNZSVSA-N 0 3 259.758 2.152 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1nc2c(s1)CCCC2=O ZINC000086441739 179293802 /nfs/dbraw/zinc/29/38/02/179293802.db2.gz DEODYMQYAAPCFQ-SNVBAGLBSA-N 0 3 279.409 2.193 10 0 CEAEHN CN[C@@H]1CCCc2sc(N(CCOC)C3CC3)nc21 ZINC000086443594 179294057 /nfs/dbraw/zinc/29/40/57/179294057.db2.gz KUBBFOJEWDVDFZ-LLVKDONJSA-N 0 3 281.425 2.355 10 0 CEAEHN CCCN1CCN(c2nc3c(s2)CCC[C@H]3NC)CC1 ZINC000086441975 179294237 /nfs/dbraw/zinc/29/42/37/179294237.db2.gz AJMPJEIQNRSSBE-GFCCVEGCSA-N 0 3 294.468 2.272 10 0 CEAEHN O[C@H]1CCCc2sc(N3CC[C@H](N4CCCC4)C3)nc21 ZINC000086444786 179295100 /nfs/dbraw/zinc/29/51/00/179295100.db2.gz WTXHEETVVVNLEM-RYUDHWBXSA-N 0 3 293.436 2.187 10 0 CEAEHN CC[C@H]1CN(C(=O)CCc2ccco2)[C@@H](CC)CN1 ZINC000086447331 179295802 /nfs/dbraw/zinc/29/58/02/179295802.db2.gz HVLLWMJFWPWADI-STQMWFEESA-N 0 3 264.369 2.201 10 0 CEAEHN COc1ccc([C@@H](O)c2cnccc2N)cc1Cl ZINC000086596265 179310938 /nfs/dbraw/zinc/31/09/38/179310938.db2.gz ZERNREBDQBRFHS-CYBMUJFWSA-N 0 3 264.712 2.408 10 0 CEAEHN C[C@H]1CN=C(NCc2ccc3c(c2)OCO3)SC1 ZINC000086633446 179315333 /nfs/dbraw/zinc/31/53/33/179315333.db2.gz FWPGQEGDVGTKCG-VIFPVBQESA-N 0 3 264.350 2.244 10 0 CEAEHN CCNCc1csc(I)c1 ZINC000086688862 179321163 /nfs/dbraw/zinc/32/11/63/179321163.db2.gz OSJXPKVYMGNNSN-UHFFFAOYSA-N 0 3 267.135 2.462 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCc2ccccc21 ZINC000086671364 179317949 /nfs/dbraw/zinc/31/79/49/179317949.db2.gz OYPASWXGZRZSRW-QLFBSQMISA-N 0 3 279.405 2.229 10 0 CEAEHN C[C@H](N[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1cccs1 ZINC000086671753 179318140 /nfs/dbraw/zinc/31/81/40/179318140.db2.gz ZFUBYPUCXMRKFD-UMNHJUIQSA-N 0 3 273.423 2.364 10 0 CEAEHN Cc1nc2ccc(N[C@H]3CCC[C@@H]3S(C)(=O)=O)cc2[nH]1 ZINC000086674536 179318491 /nfs/dbraw/zinc/31/84/91/179318491.db2.gz HNHSHKQSVQILDQ-JSGCOSHPSA-N 0 3 293.392 2.249 10 0 CEAEHN CC1CCC(N(C)Cc2c[nH]c(=NN)s2)CC1 ZINC000086767719 179325709 /nfs/dbraw/zinc/32/57/09/179325709.db2.gz PJABYFWFEWJKOZ-UHFFFAOYSA-N 0 3 254.403 2.439 10 0 CEAEHN CC[C@@](C)(N)C(=O)NCc1ccccc1Br ZINC000086804941 179338088 /nfs/dbraw/zinc/33/80/88/179338088.db2.gz CKJMDPYIAFUWJE-GFCCVEGCSA-N 0 3 285.185 2.193 10 0 CEAEHN CCCN[C@]1(C(=O)OCC)CCCN(C(C)C)CC1 ZINC000086849839 179357612 /nfs/dbraw/zinc/35/76/12/179357612.db2.gz OPIVPUICOQQWTM-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CC[C@H](C)[NH2+][C@@]1(C(=O)[O-])CCCN(C(C)C)CC1 ZINC000086850485 179358186 /nfs/dbraw/zinc/35/81/86/179358186.db2.gz KEVBEDFKHRUWCV-JSGCOSHPSA-N 0 3 256.390 2.092 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](NC)c1ccccc1OC ZINC000086978363 179372616 /nfs/dbraw/zinc/37/26/16/179372616.db2.gz YZRIAMSQQQDMJV-CYBMUJFWSA-N 0 3 285.409 2.171 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1cc(F)ccc1F ZINC000086979685 179373031 /nfs/dbraw/zinc/37/30/31/179373031.db2.gz YXCJHWRSGNSJBK-GFCCVEGCSA-N 0 3 277.336 2.180 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](NC)c1cc(F)ccc1F ZINC000086979688 179373495 /nfs/dbraw/zinc/37/34/95/179373495.db2.gz ROGQANVOZSRYCC-CYBMUJFWSA-N 0 3 291.363 2.440 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NCC1(O)CCCCC1 ZINC000087017430 179380603 /nfs/dbraw/zinc/38/06/03/179380603.db2.gz IKBOQNRPBMIOJD-LLVKDONJSA-N 0 3 265.401 2.383 10 0 CEAEHN CN[C@H](c1cnccc1C)[C@H]1CSCCS1 ZINC000086984802 179374193 /nfs/dbraw/zinc/37/41/93/179374193.db2.gz LOJMBSYCWGOIFC-VXGBXAGGSA-N 0 3 254.424 2.499 10 0 CEAEHN COc1ccc([C@@H]2[C@@H](N)CC(=O)N2C(C)(C)C)cc1F ZINC000086995275 179376391 /nfs/dbraw/zinc/37/63/91/179376391.db2.gz KEXVHBIRTFJPMA-SMDDNHRTSA-N 0 3 280.343 2.234 10 0 CEAEHN CC[C@]1(C)CNC[C@@H](c2nc3ccccc3n2C)O1 ZINC000087006741 179378455 /nfs/dbraw/zinc/37/84/55/179378455.db2.gz JDDFFPVPCMYOEC-DZGCQCFKSA-N 0 3 259.353 2.403 10 0 CEAEHN CCC1CCC(O)(CNCc2ccnc(C)n2)CC1 ZINC000087061409 179389481 /nfs/dbraw/zinc/38/94/81/179389481.db2.gz LVDIRLHIWSTRMX-UHFFFAOYSA-N 0 3 263.385 2.206 10 0 CEAEHN C[C@H](NCC1(O)CCC(C)CC1)C(=O)N1CCCCCC1 ZINC000087062523 179389524 /nfs/dbraw/zinc/38/95/24/179389524.db2.gz ZOCGHRKAKPGZDX-CKDBGZEDSA-N 0 3 296.455 2.308 10 0 CEAEHN C[C@H](NCC1(O)CCC(C)(C)CC1)C(=O)NC(C)(C)C ZINC000087063703 179390005 /nfs/dbraw/zinc/39/00/05/179390005.db2.gz GMXRGKUYFFHXBJ-LBPRGKRZSA-N 0 3 284.444 2.211 10 0 CEAEHN O=C(CNCC1(O)CCCCCC1)Nc1cccc(F)c1 ZINC000087089237 179393645 /nfs/dbraw/zinc/39/36/45/179393645.db2.gz NMNIIOFEXSAIGG-UHFFFAOYSA-N 0 3 294.370 2.439 10 0 CEAEHN Cc1nn(C)c(OCc2ccc(Cl)cc2)c1C(=N)N ZINC000087094201 179394183 /nfs/dbraw/zinc/39/41/83/179394183.db2.gz FBAVHXRWNNEXEW-UHFFFAOYSA-N 0 3 278.743 2.245 10 0 CEAEHN CCN1CCC(O)(Cc2ncc(C)c(OC)c2C)CC1 ZINC000087165793 179398508 /nfs/dbraw/zinc/39/85/08/179398508.db2.gz XPYQEPAJAJVOQP-UHFFFAOYSA-N 0 3 278.396 2.096 10 0 CEAEHN CC[NH2+]Cc1cc(=O)[n-]c(CSc2ccccc2)n1 ZINC000087163493 179398788 /nfs/dbraw/zinc/39/87/88/179398788.db2.gz WYLSLZBJDGTFHI-UHFFFAOYSA-N 0 3 275.377 2.172 10 0 CEAEHN CCOC[C@H](NC)c1cncc(Br)c1 ZINC000087281840 179408187 /nfs/dbraw/zinc/40/81/87/179408187.db2.gz DMYOIWGCCWIFFN-JTQLQIEISA-N 0 3 259.147 2.141 10 0 CEAEHN C[C@@H](O)[C@H](C)Oc1c(Br)cccc1CN ZINC000087125545 179395852 /nfs/dbraw/zinc/39/58/52/179395852.db2.gz IZFCOBCRLXHSMA-SFYZADRCSA-N 0 3 274.158 2.056 10 0 CEAEHN CCN[C@](C)(CC(=O)OCC)c1ccc(OC)cc1 ZINC000087548873 179444738 /nfs/dbraw/zinc/44/47/38/179444738.db2.gz GFTILCPWSYVZKM-OAHLLOKOSA-N 0 3 265.353 2.473 10 0 CEAEHN c1ccc(CN2CCN[C@H](c3ccncc3)C2)cc1 ZINC000616631575 348541249 /nfs/dbraw/zinc/54/12/49/348541249.db2.gz CMEAGHLUTKCSAX-INIZCTEOSA-N 0 3 253.349 2.228 10 0 CEAEHN CCN1CCCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616650062 348547819 /nfs/dbraw/zinc/54/78/19/348547819.db2.gz RVQJOFFDVNRGOM-GFCCVEGCSA-N 0 3 272.389 2.012 10 0 CEAEHN CCN[C@H](c1cnccc1N)[C@H]1COc2ccccc2O1 ZINC000087859931 179503656 /nfs/dbraw/zinc/50/36/56/179503656.db2.gz PELVUEAJMLPMET-HZPDHXFCSA-N 0 3 285.347 2.154 10 0 CEAEHN CC(C)N1CCOC[C@@H](c2cccc3nnccc32)C1 ZINC000616597806 348529375 /nfs/dbraw/zinc/52/93/75/348529375.db2.gz LQPDAQDCQLMWBS-ZDUSSCGKSA-N 0 3 271.364 2.454 10 0 CEAEHN CC(C)(C)N1CCCOC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616599745 348530104 /nfs/dbraw/zinc/53/01/04/348530104.db2.gz OLBUYSQZBSZYFH-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN CCN1CCCOC[C@@H]1c1cccc(NC(C)=O)c1 ZINC000616599341 348530244 /nfs/dbraw/zinc/53/02/44/348530244.db2.gz JROMREWRJPDFKI-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN CC(C)(C)N1CCN[C@@H](c2cccc3nnccc32)C1 ZINC000616601544 348531075 /nfs/dbraw/zinc/53/10/75/348531075.db2.gz RBWNXWPOEGNJEN-OAHLLOKOSA-N 0 3 270.380 2.375 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1COCCN(C(C)(C)C)C1 ZINC000616658937 348551104 /nfs/dbraw/zinc/55/11/04/348551104.db2.gz ADFKBSUCNYAREW-LBPRGKRZSA-N 0 3 286.416 2.258 10 0 CEAEHN c1ccc(CN2CCOC[C@@H](c3cccnn3)C2)cc1 ZINC000616661772 348553060 /nfs/dbraw/zinc/55/30/60/348553060.db2.gz YUZNIJLRNBCMGT-HNNXBMFYSA-N 0 3 269.348 2.093 10 0 CEAEHN Nc1ccc([C@H]2COCCN(Cc3ccccc3)C2)cn1 ZINC000616662775 348553746 /nfs/dbraw/zinc/55/37/46/348553746.db2.gz LUGDAFBCKVWKFH-MRXNPFEDSA-N 0 3 283.375 2.110 10 0 CEAEHN CNCc1cccc(N(C)CCc2ccccc2)n1 ZINC000088204188 179565933 /nfs/dbraw/zinc/56/59/33/179565933.db2.gz GEBMRWWMFNIXLE-UHFFFAOYSA-N 0 3 255.365 2.480 10 0 CEAEHN C[C@@H](NCC1(O)CCSCC1)c1cncc(F)c1 ZINC000305118158 539654873 /nfs/dbraw/zinc/65/48/73/539654873.db2.gz IRTNCPGHMQTDHZ-SNVBAGLBSA-N 0 3 270.373 2.129 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(CCOc2ccc(Cl)cc2)C1 ZINC000401698151 233185302 /nfs/dbraw/zinc/18/53/02/233185302.db2.gz LIUMYJAIUKEQTF-WCQYABFASA-N 0 3 269.772 2.422 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1cc(Cl)ccc1Cl ZINC000623767353 350107343 /nfs/dbraw/zinc/10/73/43/350107343.db2.gz UNTSTEICHBXYNX-NEPJUHHUSA-N 0 3 276.163 2.233 10 0 CEAEHN C[C@]1(c2nc3ccc(F)cc3n2C2CC2)COC[C@H]1N ZINC000090571866 180007204 /nfs/dbraw/zinc/00/72/04/180007204.db2.gz MQFSCXQKVHNZPB-HIFRSBDPSA-N 0 3 275.327 2.126 10 0 CEAEHN CC(C)n1c2cc(F)ccc2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571861 180007356 /nfs/dbraw/zinc/00/73/56/180007356.db2.gz WDIYZMDNAZXBJQ-ZFWWWQNUSA-N 0 3 277.343 2.372 10 0 CEAEHN CC(C)n1c2cc(F)ccc2nc1[C@]1(C)COC[C@H]1N ZINC000090571862 180007864 /nfs/dbraw/zinc/00/78/64/180007864.db2.gz WDIYZMDNAZXBJQ-UKRRQHHQSA-N 0 3 277.343 2.372 10 0 CEAEHN C[C@@]1(C(=O)Nc2cccc(C(F)(F)F)c2)COC[C@@H]1N ZINC000090580313 180008467 /nfs/dbraw/zinc/00/84/67/180008467.db2.gz WBHOXGSNOZTTIZ-CMPLNLGQSA-N 0 3 288.269 2.008 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)COC[C@H]1N ZINC000090580694 180008737 /nfs/dbraw/zinc/00/87/37/180008737.db2.gz IMGNWEYXABNRFY-ZYHUDNBSSA-N 0 3 289.162 2.296 10 0 CEAEHN CC[C@H](NC(=O)[C@]1(C)COC[C@@H]1N)c1cccc(Cl)c1 ZINC000090585495 180009349 /nfs/dbraw/zinc/00/93/49/180009349.db2.gz YBHJFGQIIUIYMJ-KCQAQPDRSA-N 0 3 296.798 2.271 10 0 CEAEHN CCOC(CNCc1cccc(COC)c1)OCC ZINC000090714235 180028920 /nfs/dbraw/zinc/02/89/20/180028920.db2.gz WMEHVENSROFRTG-UHFFFAOYSA-N 0 3 267.369 2.322 10 0 CEAEHN CCN[C@](CO)(CO[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000090675979 180022176 /nfs/dbraw/zinc/02/21/76/180022176.db2.gz YXWQFZAHLQURRD-WCQYABFASA-N 0 3 291.313 2.451 10 0 CEAEHN CCC(CC)C(=O)N1CCCSC[C@@H]1CN(C)C ZINC000090699758 180027693 /nfs/dbraw/zinc/02/76/93/180027693.db2.gz ZBQNPTPTABAQDN-ZDUSSCGKSA-N 0 3 272.458 2.318 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)c1cccs1 ZINC000090699994 180028058 /nfs/dbraw/zinc/02/80/58/180028058.db2.gz YOMUZOBXSLFXTK-LLVKDONJSA-N 0 3 284.450 2.257 10 0 CEAEHN COc1ccc([C@H](C)NC[C@@H](C)[S@](C)=O)cc1OC ZINC000090841342 180043505 /nfs/dbraw/zinc/04/35/05/180043505.db2.gz FQWTWBYGKNETHS-RMDKCXRXSA-N 0 3 285.409 2.121 10 0 CEAEHN Cc1nccc(CNC[C@@H]2Cc3cc(F)ccc3O2)n1 ZINC000090892257 180054191 /nfs/dbraw/zinc/05/41/91/180054191.db2.gz SJEKTPXOUASXNS-AWEZNQCLSA-N 0 3 273.311 2.017 10 0 CEAEHN NC[C@H](c1ccc(Cl)s1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905601 180060010 /nfs/dbraw/zinc/06/00/10/180060010.db2.gz NFKPKBDBXWFFOC-KXUCPTDWSA-N 0 3 272.801 2.265 10 0 CEAEHN COC[C@@H](NCc1ccccc1NC(C)=O)C(C)C ZINC000090962820 180077266 /nfs/dbraw/zinc/07/72/66/180077266.db2.gz ADWXMHZUKCGQSQ-OAHLLOKOSA-N 0 3 264.369 2.406 10 0 CEAEHN CCCn1ccc(CN[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000091012518 180085928 /nfs/dbraw/zinc/08/59/28/180085928.db2.gz VZLVJCUUSRFNMB-AWEZNQCLSA-N 0 3 277.412 2.389 10 0 CEAEHN COc1ccccc1-n1ncc(CN)c1C(F)(F)F ZINC000091338684 180136197 /nfs/dbraw/zinc/13/61/97/180136197.db2.gz SXWHMVYSTFKWOM-UHFFFAOYSA-N 0 3 271.242 2.358 10 0 CEAEHN NCc1cncc(-c2cccc(Br)n2)c1 ZINC000091351638 180137887 /nfs/dbraw/zinc/13/78/87/180137887.db2.gz JWFBDFACDRALLV-UHFFFAOYSA-N 0 3 264.126 2.365 10 0 CEAEHN COCCNCc1ccccc1S[C@@H](C)CCO ZINC000091268177 180116931 /nfs/dbraw/zinc/11/69/31/180116931.db2.gz LUNTUEQKQJPPGO-LBPRGKRZSA-N 0 3 269.410 2.286 10 0 CEAEHN Cc1nn(C)c(S[C@H](C)CCO)c1CNC(C)(C)C ZINC000091268353 180117294 /nfs/dbraw/zinc/11/72/94/180117294.db2.gz NFSHYWCSESWDMC-SNVBAGLBSA-N 0 3 285.457 2.480 10 0 CEAEHN CCC[C@@H](C)N(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276271 180119612 /nfs/dbraw/zinc/11/96/12/180119612.db2.gz WDYYZZBESAWSRE-YPMHNXCESA-N 0 3 250.390 2.338 10 0 CEAEHN C[C@H]1CCCN([C@@H](CN)c2cncn2C2CC2)CC1 ZINC000091276564 180119977 /nfs/dbraw/zinc/11/99/77/180119977.db2.gz IHZZGBRLCSZELG-JSGCOSHPSA-N 0 3 262.401 2.340 10 0 CEAEHN CC[C@H](C)N(CC)[C@@H](CN)c1cncn1C1CC1 ZINC000091276236 180120114 /nfs/dbraw/zinc/12/01/14/180120114.db2.gz ZGKGXXHILJOPLP-AAEUAGOBSA-N 0 3 250.390 2.338 10 0 CEAEHN CCCCN(CC)[C@@H](CN)c1cncn1C1CC1 ZINC000091276198 180120339 /nfs/dbraw/zinc/12/03/39/180120339.db2.gz JJNIFHXJPXIUAL-ZDUSSCGKSA-N 0 3 250.390 2.340 10 0 CEAEHN CNc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1C ZINC000091432071 180153644 /nfs/dbraw/zinc/15/36/44/180153644.db2.gz MVTIEJFPUSGBDF-AWEZNQCLSA-N 0 3 275.396 2.203 10 0 CEAEHN C[C@@H](O)c1ccc(NC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000091433276 180154215 /nfs/dbraw/zinc/15/42/15/180154215.db2.gz CGOFOXOWLFRYIZ-IUODEOHRSA-N 0 3 291.395 2.298 10 0 CEAEHN CNc1nc2ccccc2cc1CN(C)CC1CC(O)C1 ZINC000091451414 180158823 /nfs/dbraw/zinc/15/88/23/180158823.db2.gz XAHDIQWWVFTVLC-UHFFFAOYSA-N 0 3 285.391 2.479 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccncc2Cl)[C@@H](CC)CN1 ZINC000091457089 180160298 /nfs/dbraw/zinc/16/02/98/180160298.db2.gz MYXOXOZFIZLFCX-QWRGUYRKSA-N 0 3 281.787 2.338 10 0 CEAEHN COc1cc2c(cc1OC)CN(CC(C)(C)[C@@H](C)O)CC2 ZINC000091405706 180147847 /nfs/dbraw/zinc/14/78/47/180147847.db2.gz XHMMQRLQHPTJOJ-GFCCVEGCSA-N 0 3 293.407 2.469 10 0 CEAEHN CC(C)([C@@H](N)c1ccc(F)cc1F)N1CCOCC1 ZINC000091566085 180193978 /nfs/dbraw/zinc/19/39/78/180193978.db2.gz ADTNMMDONYPANF-ZDUSSCGKSA-N 0 3 270.323 2.075 10 0 CEAEHN CCCn1ccnc1[C@H](NC)[C@@](C)(CC)N(C)C ZINC000091570784 180195813 /nfs/dbraw/zinc/19/58/13/180195813.db2.gz XDPVQLMXAYOZOU-GXTWGEPZSA-N 0 3 252.406 2.284 10 0 CEAEHN CCN[C@@H](c1nccn1CC)[C@](C)(CC)N(C)C ZINC000091571474 180196342 /nfs/dbraw/zinc/19/63/42/180196342.db2.gz LOPGYFKQMSQKKV-JSGCOSHPSA-N 0 3 252.406 2.284 10 0 CEAEHN CC(C)c1nn(C)c(NCCN2CCCCC2)c1N ZINC000091577466 180197765 /nfs/dbraw/zinc/19/77/65/180197765.db2.gz NYQFFTNAHACKEZ-UHFFFAOYSA-N 0 3 265.405 2.024 10 0 CEAEHN CCC1CCC(NC(=O)N(CCOC)CCN(C)C)CC1 ZINC000105164039 186044241 /nfs/dbraw/zinc/04/42/41/186044241.db2.gz PGEYTZNTDWTMMC-UHFFFAOYSA-N 0 3 299.459 2.175 10 0 CEAEHN CCC(CC)(C(=O)Cc1ncnn1CC(C)C)N(C)C ZINC000091613259 180207702 /nfs/dbraw/zinc/20/77/02/180207702.db2.gz ITBDWJDZQXJBDV-UHFFFAOYSA-N 0 3 280.416 2.166 10 0 CEAEHN CCCn1ccnc1[C@H](NCC)C(C)(C)N(C)C ZINC000091529182 180180575 /nfs/dbraw/zinc/18/05/75/180180575.db2.gz PITGTNDHTZBIGT-LBPRGKRZSA-N 0 3 252.406 2.284 10 0 CEAEHN CN[C@@H](c1cc(Cl)cnc1N)C(C)(C)N1CCCC1 ZINC000091534383 180181421 /nfs/dbraw/zinc/18/14/21/180181421.db2.gz MSYJQWUEANQCMI-LBPRGKRZSA-N 0 3 282.819 2.452 10 0 CEAEHN CCCN[C@H](c1cnccn1)C(C)(C)N1CCCC1 ZINC000091536155 180182473 /nfs/dbraw/zinc/18/24/73/180182473.db2.gz BQZQIEXDOVQCER-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN CC(C)n1ccc(CC(=O)C2(N(C)C)CCCC2)n1 ZINC000091636015 180211488 /nfs/dbraw/zinc/21/14/88/180211488.db2.gz FMMWJIFMQBTSQG-UHFFFAOYSA-N 0 3 263.385 2.450 10 0 CEAEHN CCN(CC)C(=O)CCN[C@@H]1CCCc2cccnc21 ZINC000091661099 180218820 /nfs/dbraw/zinc/21/88/20/180218820.db2.gz DJWIGXQUXUAWGT-CQSZACIVSA-N 0 3 275.396 2.307 10 0 CEAEHN c1cnc2c(c1)CCC[C@@H]2N[C@H]1CN2CCC1CC2 ZINC000091660182 180219019 /nfs/dbraw/zinc/21/90/19/180219019.db2.gz SOYQUNZWYPMMTH-GJZGRUSLSA-N 0 3 257.381 2.143 10 0 CEAEHN Nc1cc(Cl)ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091662631 180220017 /nfs/dbraw/zinc/22/00/17/180220017.db2.gz DHCROESYRMSQSQ-VXGBXAGGSA-N 0 3 281.787 2.197 10 0 CEAEHN O[C@H](Cc1c(F)cccc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091715529 180232150 /nfs/dbraw/zinc/23/21/50/180232150.db2.gz IJERETHFRJOSNQ-VCTAVGKDSA-N 0 3 299.773 2.246 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1C)[C@H]1CN(C)CCO1 ZINC000091718717 180233225 /nfs/dbraw/zinc/23/32/25/180233225.db2.gz ZBAYTFDSEJKCDT-HUUCEWRRSA-N 0 3 266.360 2.115 10 0 CEAEHN CN[C@H](c1cccc2ccccc21)[C@H]1CN(C)CCO1 ZINC000091718117 180233271 /nfs/dbraw/zinc/23/32/71/180233271.db2.gz CBCOUXINSFPOIV-IAGOWNOFSA-N 0 3 270.376 2.431 10 0 CEAEHN CCCN[C@@H](c1cccs1)[C@H]1CN(C)CCO1 ZINC000091719540 180234135 /nfs/dbraw/zinc/23/41/35/180234135.db2.gz WKPLMHNIAGTBPN-DGCLKSJQSA-N 0 3 254.399 2.119 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1ccccc1Cl ZINC000624235438 350239168 /nfs/dbraw/zinc/23/91/68/350239168.db2.gz KHXTVOQVMMXNGM-TVYUQYBPSA-N 0 3 255.745 2.140 10 0 CEAEHN CN[C@H](c1ccc(Cl)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721453 180238467 /nfs/dbraw/zinc/23/84/67/180238467.db2.gz GNROODLLUNULMO-QLFBSQMISA-N 0 3 280.799 2.464 10 0 CEAEHN CN[C@@H](C)c1cccn1CC(=O)NCc1ccccc1 ZINC000091800458 180259363 /nfs/dbraw/zinc/25/93/63/180259363.db2.gz CKYOSOQPYZVVRA-ZDUSSCGKSA-N 0 3 271.364 2.085 10 0 CEAEHN Cc1ccc(NC(=O)Cn2cccc2[C@H](C)N)cc1 ZINC000091800093 180259202 /nfs/dbraw/zinc/25/92/02/180259202.db2.gz FSEPYYUTRNZGRH-LBPRGKRZSA-N 0 3 257.337 2.455 10 0 CEAEHN CCN1CCO[C@@H](COc2ccc(Cl)cc2[C@H](C)N)C1 ZINC000092051308 180313075 /nfs/dbraw/zinc/31/30/75/180313075.db2.gz NVRYZSAIBLBKOQ-WCQYABFASA-N 0 3 298.814 2.459 10 0 CEAEHN CCN[C@H](C)c1ccccc1OC[C@H]1CN(C)CCO1 ZINC000092054209 180314465 /nfs/dbraw/zinc/31/44/65/180314465.db2.gz MAOBVCIZUFGJDS-ZIAGYGMSSA-N 0 3 278.396 2.067 10 0 CEAEHN N[C@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCCCCC1 ZINC000091971945 180295676 /nfs/dbraw/zinc/29/56/76/180295676.db2.gz DKIWAZUOHXDEKG-GJZGRUSLSA-N 0 3 273.380 2.197 10 0 CEAEHN CCNCc1nc(C)ccc1OCCCOCC ZINC000091994885 180301329 /nfs/dbraw/zinc/30/13/29/180301329.db2.gz GBCVFAJYTMBTQC-UHFFFAOYSA-N 0 3 252.358 2.305 10 0 CEAEHN CCCNCc1nc(C)ccc1OCCCC(=O)OC ZINC000091995031 180302021 /nfs/dbraw/zinc/30/20/21/180302021.db2.gz JUTATAHPCTXLJY-UHFFFAOYSA-N 0 3 280.368 2.222 10 0 CEAEHN CC(C)NCc1csc(N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000092005055 180305507 /nfs/dbraw/zinc/30/55/07/180305507.db2.gz CJAUQNSKMUBBTQ-KGLIPLIRSA-N 0 3 294.468 2.314 10 0 CEAEHN Cc1nn(-c2cc(F)c(F)c(F)c2)c(C)c1CN ZINC000092150292 180334115 /nfs/dbraw/zinc/33/41/15/180334115.db2.gz VVWRRHUYOMCKRV-UHFFFAOYSA-N 0 3 255.243 2.365 10 0 CEAEHN CCc1c(CN)cnn1-c1cc(F)c(F)c(F)c1 ZINC000092150644 180334191 /nfs/dbraw/zinc/33/41/91/180334191.db2.gz WHSQIRMVAPVYDP-UHFFFAOYSA-N 0 3 255.243 2.311 10 0 CEAEHN C[C@]1(NC[C@@H]2CSc3ccccc32)CCS(=O)(=O)C1 ZINC000092275306 180356288 /nfs/dbraw/zinc/35/62/88/180356288.db2.gz JFHVUADXTJAJIU-RISCZKNCSA-N 0 3 297.445 2.043 10 0 CEAEHN CNCc1ccn(C[C@H]2Cc3ccccc3S2)n1 ZINC000092271939 180356384 /nfs/dbraw/zinc/35/63/84/180356384.db2.gz FMSODJZNTCWDSA-CYBMUJFWSA-N 0 3 259.378 2.320 10 0 CEAEHN CCCNC(=O)[C@H](C)NC[C@@H]1CSc2ccccc21 ZINC000092275129 180356568 /nfs/dbraw/zinc/35/65/68/180356568.db2.gz JZZCSQDHGIYWQL-NWDGAFQWSA-N 0 3 278.421 2.380 10 0 CEAEHN C[C@@H](O)CN1CCN(CCCc2ccccc2)C[C@@H]1C ZINC000105823342 186073974 /nfs/dbraw/zinc/07/39/74/186073974.db2.gz LCEHHHFAZHYQIU-JKSUJKDBSA-N 0 3 276.424 2.006 10 0 CEAEHN COc1ccc([C@@H](CN)NCc2ccccc2)c(OC)c1 ZINC000106024122 186098219 /nfs/dbraw/zinc/09/82/19/186098219.db2.gz NOUSXWVIVPRDOE-MRXNPFEDSA-N 0 3 286.375 2.493 10 0 CEAEHN O=C1C[C@H](NC[C@H]2CC=CCC2)C(=O)N1c1ccccc1 ZINC000106257840 186105745 /nfs/dbraw/zinc/10/57/45/186105745.db2.gz UBNINGLCPXVRSI-ZFWWWQNUSA-N 0 3 284.359 2.264 10 0 CEAEHN CCC[C@H](CC)N[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000106534156 186125529 /nfs/dbraw/zinc/12/55/29/186125529.db2.gz WEPXBROKKUFCKY-JSGCOSHPSA-N 0 3 274.364 2.487 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@H]1OC[C@@H]1CCCO1 ZINC000092386461 180373920 /nfs/dbraw/zinc/37/39/20/180373920.db2.gz ZVQRIRDYEWZEIX-USXIJHARSA-N 0 3 291.391 2.466 10 0 CEAEHN COC[C@H](C)N(C)c1ncc(CNC(C)C)s1 ZINC000054906730 522599154 /nfs/dbraw/zinc/59/91/54/522599154.db2.gz UQUYYNOHQSYOHL-JTQLQIEISA-N 0 3 257.403 2.112 10 0 CEAEHN CCN[C@@H](COC)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000109505966 186257184 /nfs/dbraw/zinc/25/71/84/186257184.db2.gz RIZKEIUWYPKKME-CQSZACIVSA-N 0 3 289.379 2.466 10 0 CEAEHN NNc1nc(-c2ccc(O)cc2)nc2c1CCCCC2 ZINC000109522516 186259051 /nfs/dbraw/zinc/25/90/51/186259051.db2.gz GXMDNKVKEMJFPY-UHFFFAOYSA-N 0 3 270.336 2.404 10 0 CEAEHN Clc1cc(CN[C@@H]2CCCOC2)cc2c1OCO2 ZINC000109544515 186261828 /nfs/dbraw/zinc/26/18/28/186261828.db2.gz UYPGKXHKSQPAPM-SNVBAGLBSA-N 0 3 269.728 2.337 10 0 CEAEHN CCOC(=O)C[C@@H](C)NCc1ccc(OC)cc1OC ZINC000109554099 186263026 /nfs/dbraw/zinc/26/30/26/186263026.db2.gz MDXBLXAQRLGGBR-LLVKDONJSA-N 0 3 281.352 2.135 10 0 CEAEHN c1ncn(-c2cc(CNC3CC3)nc3ccccc32)n1 ZINC000109589694 186265129 /nfs/dbraw/zinc/26/51/29/186265129.db2.gz NYLGRUXBGAXHAD-UHFFFAOYSA-N 0 3 265.320 2.068 10 0 CEAEHN CNCc1cc(OC[C@@H]2CCOC2)c2ccccc2n1 ZINC000109590752 186265231 /nfs/dbraw/zinc/26/52/31/186265231.db2.gz OXZQFHLZKGFCNG-GFCCVEGCSA-N 0 3 272.348 2.370 10 0 CEAEHN C[C@@H](C(N)=S)N1CCN(Cc2ccccc2Cl)CC1 ZINC000109468582 186253832 /nfs/dbraw/zinc/25/38/32/186253832.db2.gz RGMRRFVVXQNHJX-NSHDSACASA-N 0 3 297.855 2.132 10 0 CEAEHN COC(=O)[C@@H](CN(CCC(C)C)C1CC1)NC(C)C ZINC000109999571 186281749 /nfs/dbraw/zinc/28/17/49/186281749.db2.gz FHKGWORVLOHNFK-CQSZACIVSA-N 0 3 270.417 2.037 10 0 CEAEHN CCOc1ccccc1[C@H](CO[C@@H]1CCOC1)NC ZINC000110526742 186300994 /nfs/dbraw/zinc/30/09/94/186300994.db2.gz FFHFUIVWSZWVAW-OCCSQVGLSA-N 0 3 265.353 2.151 10 0 CEAEHN CCCNCc1c(C)cc(C)nc1O[C@@H]1CCOC1 ZINC000110532410 186301859 /nfs/dbraw/zinc/30/18/59/186301859.db2.gz ZTDNHIUSWDEMJV-CYBMUJFWSA-N 0 3 264.369 2.366 10 0 CEAEHN CCN1CCC[C@H](Nc2cc(OC)c(F)cc2N)C1 ZINC000110626886 186306579 /nfs/dbraw/zinc/30/65/79/186306579.db2.gz LSENRJICLDFKRU-JTQLQIEISA-N 0 3 267.348 2.313 10 0 CEAEHN COCCCCn1c(N)nc2cc(F)c(OC)cc21 ZINC000110629956 186307718 /nfs/dbraw/zinc/30/77/18/186307718.db2.gz NZGBLLCSTBLGMH-UHFFFAOYSA-N 0 3 267.304 2.193 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2Cc1cccnc1 ZINC000110629345 186307945 /nfs/dbraw/zinc/30/79/45/186307945.db2.gz XDVQVZOTYJRXPH-UHFFFAOYSA-N 0 3 272.283 2.210 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1O[C@H]1CCCCNC1=O ZINC000110959954 186336416 /nfs/dbraw/zinc/33/64/16/186336416.db2.gz REKVFULCJJBSNV-OCCSQVGLSA-N 0 3 276.380 2.323 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OC[C@@H](C)C(N)=O ZINC000110960660 186336495 /nfs/dbraw/zinc/33/64/95/186336495.db2.gz YBPAEEKEGJCQGM-VXGBXAGGSA-N 0 3 264.369 2.166 10 0 CEAEHN CCCN[C@H](C)c1ccc(C)cc1OCCS(C)(=O)=O ZINC000110961436 186337904 /nfs/dbraw/zinc/33/79/04/186337904.db2.gz BCLNOLMBMUNAGJ-CYBMUJFWSA-N 0 3 299.436 2.479 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)s1)N1CCNC(=O)[C@@H]1CC ZINC000110677353 186311976 /nfs/dbraw/zinc/31/19/76/186311976.db2.gz HTSJYPIGMBYLEW-MBNYWOFBSA-N 0 3 295.452 2.045 10 0 CEAEHN CCN1CCN(C[C@@H]2CCCCCC2=O)C[C@@H]1C ZINC000110743777 186318660 /nfs/dbraw/zinc/31/86/60/186318660.db2.gz LIRFDZSXJQYDKV-KBPBESRZSA-N 0 3 252.402 2.162 10 0 CEAEHN CCCNc1ccc(CN2CCN(C)C(C)(C)C2)cn1 ZINC000110743189 186318709 /nfs/dbraw/zinc/31/87/09/186318709.db2.gz VCGZJBYRCIKCSK-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CN1CCN(Cc2c3ccccc3oc2CN)CC1(C)C ZINC000110754613 186320460 /nfs/dbraw/zinc/32/04/60/186320460.db2.gz RTTXJXAMAVVQOT-UHFFFAOYSA-N 0 3 287.407 2.418 10 0 CEAEHN CC[C@H]1CN(Cc2ccc3c(c2)CCN3)CCN1C ZINC000110762934 186323323 /nfs/dbraw/zinc/32/33/23/186323323.db2.gz ZBJCXALUGZAWSH-HNNXBMFYSA-N 0 3 259.397 2.181 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cccc(F)c2F)CC(C)(C)O1 ZINC000111039842 186347080 /nfs/dbraw/zinc/34/70/80/186347080.db2.gz BEXXENUSUXDKQH-GWCFXTLKSA-N 0 3 284.350 2.464 10 0 CEAEHN CCCNCc1cccnc1OCCOCCC ZINC000111110867 186353247 /nfs/dbraw/zinc/35/32/47/186353247.db2.gz YLLZAACMNKDJBP-UHFFFAOYSA-N 0 3 252.358 2.387 10 0 CEAEHN CCCOCCOC[C@H](N)c1ccc2c(c1)OCCCO2 ZINC000111108541 186353971 /nfs/dbraw/zinc/35/39/71/186353971.db2.gz SCMHZKVKTOHQNN-AWEZNQCLSA-N 0 3 295.379 2.291 10 0 CEAEHN CCCOCCOc1cccc(CNC(C)C)n1 ZINC000111111027 186353975 /nfs/dbraw/zinc/35/39/75/186353975.db2.gz ZREMJTIYLSYSED-UHFFFAOYSA-N 0 3 252.358 2.385 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1cccc(OCC)c1 ZINC000111117277 186354567 /nfs/dbraw/zinc/35/45/67/186354567.db2.gz PJOCWQNUJJQMPW-MRXNPFEDSA-N 0 3 280.412 2.444 10 0 CEAEHN CCOCCN(CC)c1nc(CC)c(CN)s1 ZINC000111124612 186355232 /nfs/dbraw/zinc/35/52/32/186355232.db2.gz UHHYXNLNDWFPFN-UHFFFAOYSA-N 0 3 257.403 2.027 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000111128207 186355862 /nfs/dbraw/zinc/35/58/62/186355862.db2.gz GKQZFXAFEUOFAO-OAHLLOKOSA-N 0 3 269.348 2.114 10 0 CEAEHN NCc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)nc1 ZINC000111281619 186387603 /nfs/dbraw/zinc/38/76/03/186387603.db2.gz YDSRLPLDSGYDLC-ZFWWWQNUSA-N 0 3 273.380 2.335 10 0 CEAEHN NCc1cccc(NC(=O)c2ccc3c(c2)COC3)c1 ZINC000111304873 186393684 /nfs/dbraw/zinc/39/36/84/186393684.db2.gz BLPBAESPAYSDSD-UHFFFAOYSA-N 0 3 268.316 2.428 10 0 CEAEHN O[C@H]1CCCC[C@H]1NCc1ccc(Br)cn1 ZINC000069938786 363014888 /nfs/dbraw/zinc/01/48/88/363014888.db2.gz MHGSFOXNCSNUJI-NEPJUHHUSA-N 0 3 285.185 2.237 10 0 CEAEHN CCCNC(=O)NC(=O)CN[C@H](C)c1ccc(CC)cc1 ZINC000120420304 186898468 /nfs/dbraw/zinc/89/84/68/186898468.db2.gz VDUPGLGVUDBXRO-GFCCVEGCSA-N 0 3 291.395 2.135 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(CC2=CCCOC2)C1 ZINC000122936484 187060790 /nfs/dbraw/zinc/06/07/90/187060790.db2.gz KLDIVQQIKSTETH-OAHLLOKOSA-N 0 3 275.396 2.429 10 0 CEAEHN COc1ccc([C@H](C)NC[C@H](C)N2CCOCC2)c(F)c1 ZINC000123253599 187080667 /nfs/dbraw/zinc/08/06/67/187080667.db2.gz UWTNSSCQQUFOIU-STQMWFEESA-N 0 3 296.386 2.206 10 0 CEAEHN CC[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)cc1 ZINC000123415950 187090842 /nfs/dbraw/zinc/09/08/42/187090842.db2.gz CEBNYHYLEXWSDP-LSDHHAIUSA-N 0 3 278.371 2.482 10 0 CEAEHN C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)C(C)(C)C ZINC000074201397 363308885 /nfs/dbraw/zinc/30/88/85/363308885.db2.gz UAEFKSCMFIIOFR-KGLIPLIRSA-N 0 3 299.459 2.173 10 0 CEAEHN CC(=O)c1ccc(NC(=O)[C@@]2(C)CCCCN2)cc1 ZINC000133364851 366216759 /nfs/dbraw/zinc/21/67/59/366216759.db2.gz UYHZDOBQMKZNLX-OAHLLOKOSA-N 0 3 260.337 2.360 10 0 CEAEHN CC1(C)C[C@@]1(N)c1ccc(I)cn1 ZINC000575558050 366296570 /nfs/dbraw/zinc/29/65/70/366296570.db2.gz BCTHORXPZFPHGN-SNVBAGLBSA-N 0 3 288.132 2.270 10 0 CEAEHN COC[C@H](C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134881864 366366888 /nfs/dbraw/zinc/36/68/88/366366888.db2.gz SAMORRWNOVBSPG-DZKIICNBSA-N 0 3 290.407 2.048 10 0 CEAEHN Cc1cccc(OCCN(C)C(=O)[C@@]2(C)CCCCN2)c1 ZINC000136149618 366498988 /nfs/dbraw/zinc/49/89/88/366498988.db2.gz LQMVSDYVGNJKCN-QGZVFWFLSA-N 0 3 290.407 2.364 10 0 CEAEHN C/C=C/C(=O)N1CC[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000685939257 540635205 /nfs/dbraw/zinc/63/52/05/540635205.db2.gz IWZXQWTXOXVFQT-XVQPDXDWSA-N 0 3 262.328 2.045 10 0 CEAEHN NC(=O)c1ccc([C@@H]2NCCc3ccccc32)cc1 ZINC000144584831 366571885 /nfs/dbraw/zinc/57/18/85/366571885.db2.gz ZWFFUVPCHUPUKW-HNNXBMFYSA-N 0 3 252.317 2.021 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCc1c(C)noc1C ZINC000177012156 189020741 /nfs/dbraw/zinc/02/07/41/189020741.db2.gz ODDSCVDFQYBVOQ-AWEZNQCLSA-N 0 3 293.411 2.167 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@@H]2C1)c1c(F)cccc1F ZINC000177766375 189067781 /nfs/dbraw/zinc/06/77/81/189067781.db2.gz WVAOLDARVJLQFJ-DOMZBBRYSA-N 0 3 296.361 2.168 10 0 CEAEHN CCC[C@H](C(=O)N[C@H]1CCOc2ccc(F)cc21)N(C)C ZINC000179260953 189181558 /nfs/dbraw/zinc/18/15/58/189181558.db2.gz NFKNXNGKRFQLAD-UONOGXRCSA-N 0 3 294.370 2.496 10 0 CEAEHN c1nc2n(n1)C[C@@H](N[C@@H]1CCSc3ccccc31)CC2 ZINC000180579296 189263233 /nfs/dbraw/zinc/26/32/33/189263233.db2.gz CYWDOHVLOZZGNK-WCQYABFASA-N 0 3 286.404 2.420 10 0 CEAEHN CCN(C)C(=O)CCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000180874226 189280932 /nfs/dbraw/zinc/28/09/32/189280932.db2.gz UHBDMXJTWBTWHP-GFCCVEGCSA-N 0 3 294.395 2.223 10 0 CEAEHN Cc1cccc(CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000180953941 189284852 /nfs/dbraw/zinc/28/48/52/189284852.db2.gz BAJZXGUDMNIYKM-MRXNPFEDSA-N 0 3 274.408 2.480 10 0 CEAEHN Oc1ccc2c(c1)O[C@@H](CNCc1ccncc1)CC2 ZINC000004632551 361324619 /nfs/dbraw/zinc/32/46/19/361324619.db2.gz CMPVSRKCPJUIRW-OAHLLOKOSA-N 0 3 270.332 2.271 10 0 CEAEHN C[C@H]1CN(C[C@H](O)CCc2ccccc2)CCS1 ZINC000182331769 189320442 /nfs/dbraw/zinc/32/04/42/189320442.db2.gz JJZAVRPJOUZAJF-DZGCQCFKSA-N 0 3 265.422 2.417 10 0 CEAEHN CCOc1ccc(CN2CCN(CCOC)[C@H](C)C2)cc1 ZINC000155090743 366806337 /nfs/dbraw/zinc/80/63/37/366806337.db2.gz FFXAHVGUCZZQAE-OAHLLOKOSA-N 0 3 292.423 2.238 10 0 CEAEHN CC[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000084222118 363803150 /nfs/dbraw/zinc/80/31/50/363803150.db2.gz XTRWKWNANKEGMI-LSDHHAIUSA-N 0 3 266.360 2.197 10 0 CEAEHN C[C@H]1CNC[C@H](c2ccc(Br)cc2)O1 ZINC000032108968 361728120 /nfs/dbraw/zinc/72/81/20/361728120.db2.gz RNNLKNHVQCIWCM-GZMMTYOYSA-N 0 3 256.143 2.499 10 0 CEAEHN CCN(CCO)CCNc1cc(C)nc2c(F)cccc12 ZINC000302207269 201396376 /nfs/dbraw/zinc/39/63/76/201396376.db2.gz AFXNMNMXRQQNLQ-UHFFFAOYSA-N 0 3 291.370 2.408 10 0 CEAEHN Cc1nn(C)cc1CN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000092813040 364110718 /nfs/dbraw/zinc/11/07/18/364110718.db2.gz BWIHZTLOGKCUMK-OAHLLOKOSA-N 0 3 299.422 2.366 10 0 CEAEHN CCc1ccc([C@H](CNC(=O)[C@H](C)COC)N(C)C)cc1 ZINC000103428387 364652288 /nfs/dbraw/zinc/65/22/88/364652288.db2.gz ULANCMCYLOJJLB-CJNGLKHVSA-N 0 3 292.423 2.250 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)NC2CCCCCCC2)CCO1 ZINC000117023707 365089232 /nfs/dbraw/zinc/08/92/32/365089232.db2.gz OQLBDXUVDSWHPS-HNNXBMFYSA-N 0 3 297.443 2.071 10 0 CEAEHN C[C@H](C(=O)N[C@@H]1COc2ccccc21)N1[C@H](C)CC[C@@H]1C ZINC000245202863 370805932 /nfs/dbraw/zinc/80/59/32/370805932.db2.gz WSMOGIXGNUZXPD-QVHKTLOISA-N 0 3 288.391 2.498 10 0 CEAEHN C[C@@H](O)C1CCN(Cc2cccc3c2NCC3)CC1 ZINC000220368950 189723520 /nfs/dbraw/zinc/72/35/20/189723520.db2.gz MYUDNMXEZONHLA-GFCCVEGCSA-N 0 3 260.381 2.247 10 0 CEAEHN C[C@H](NCC(=O)N1CCNC1=O)c1ccc2ccccc2c1 ZINC000120452069 365426739 /nfs/dbraw/zinc/42/67/39/365426739.db2.gz SOGLARSQTLIUDR-LBPRGKRZSA-N 0 3 297.358 2.042 10 0 CEAEHN O[C@H]1CCCC[C@H]1NCc1cncc(Br)c1 ZINC000160573293 367017736 /nfs/dbraw/zinc/01/77/36/367017736.db2.gz YFYOKRXWWJYJPH-NEPJUHHUSA-N 0 3 285.185 2.237 10 0 CEAEHN CO[C@H](CNC(=O)[C@@H](N)CC(C)C)c1ccc(F)cc1 ZINC000162623946 367175046 /nfs/dbraw/zinc/17/50/46/367175046.db2.gz BJMODUYEEWTUPF-UONOGXRCSA-N 0 3 282.359 2.003 10 0 CEAEHN CCC[C@H](C(=O)NCCOCc1ccccc1)N(C)C ZINC000162394539 367156888 /nfs/dbraw/zinc/15/68/88/367156888.db2.gz AQPZFAVVXYOSEM-OAHLLOKOSA-N 0 3 278.396 2.050 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000171071245 367471828 /nfs/dbraw/zinc/47/18/28/367471828.db2.gz PWFSCFWQLPYQAP-OAHLLOKOSA-N 0 3 273.380 2.343 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc3ncsc3c2)C1 ZINC000171076717 367473531 /nfs/dbraw/zinc/47/35/31/367473531.db2.gz BRPWBLLDAROBNS-NSHDSACASA-N 0 3 290.392 2.464 10 0 CEAEHN C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170854870 367431303 /nfs/dbraw/zinc/43/13/03/367431303.db2.gz LSEOTQVGWFRYLL-IUODEOHRSA-N 0 3 278.371 2.167 10 0 CEAEHN CCCN(C)c1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170864199 367433878 /nfs/dbraw/zinc/43/38/78/367433878.db2.gz AKTBYUQEZRHKNI-INIZCTEOSA-N 0 3 289.423 2.309 10 0 CEAEHN CSc1ccccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861495 367434801 /nfs/dbraw/zinc/43/48/01/367434801.db2.gz SSGFIVBARPEBLS-LLVKDONJSA-N 0 3 264.394 2.185 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cnc(-c3ccco3)s2)C1 ZINC000171541633 367561435 /nfs/dbraw/zinc/56/14/35/367561435.db2.gz JIAQXKCATDKCNH-SNVBAGLBSA-N 0 3 291.376 2.179 10 0 CEAEHN COc1ccccc1[C@H](C)CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171303170 367518226 /nfs/dbraw/zinc/51/82/26/367518226.db2.gz PCTGCZCDZMEFKN-ZIAGYGMSSA-N 0 3 290.407 2.351 10 0 CEAEHN CCOCCN1CCN([C@H]2C=CCCC2)C[C@@H]1C ZINC000171746176 367608598 /nfs/dbraw/zinc/60/85/98/367608598.db2.gz VDYHDFDUCVPING-GJZGRUSLSA-N 0 3 252.402 2.138 10 0 CEAEHN O=C(c1coc(-c2ccccc2)n1)N1CCN2CCC[C@H]2C1 ZINC000172349740 367724378 /nfs/dbraw/zinc/72/43/78/367724378.db2.gz XFRFHLXZNVRSJT-AWEZNQCLSA-N 0 3 297.358 2.262 10 0 CEAEHN C[C@@H](N[C@@H](C)c1cccs1)C(=O)NC(=O)NC(C)(C)C ZINC000172604063 367787168 /nfs/dbraw/zinc/78/71/68/367787168.db2.gz RCKLJZINDZTKNR-VHSXEESVSA-N 0 3 297.424 2.412 10 0 CEAEHN CCc1ccc([C@H]2CCCCN2C[C@H](O)COC)o1 ZINC000172988232 367855614 /nfs/dbraw/zinc/85/56/14/367855614.db2.gz HMJLLNKQQJOXBU-GXTWGEPZSA-N 0 3 267.369 2.376 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 ZINC000173045981 367863607 /nfs/dbraw/zinc/86/36/07/367863607.db2.gz GLCXIAKSAQKRJR-ZWNOBZJWSA-N 0 3 296.461 2.241 10 0 CEAEHN O=C(CCN1CCN2CCCC[C@@H]2C1)Nc1ccccc1 ZINC000172800190 367821282 /nfs/dbraw/zinc/82/12/82/367821282.db2.gz OIYAPKVPEMSZGF-MRXNPFEDSA-N 0 3 287.407 2.185 10 0 CEAEHN Cc1cccc(C)c1NCC(=O)N1CCN2CCC[C@H]2C1 ZINC000173575002 367925170 /nfs/dbraw/zinc/92/51/70/367925170.db2.gz XGPZHLMRFCOXOU-HNNXBMFYSA-N 0 3 287.407 2.022 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C)o1 ZINC000175032287 368091069 /nfs/dbraw/zinc/09/10/69/368091069.db2.gz XXCOUQDLMOIODY-CHWSQXEVSA-N 0 3 262.353 2.287 10 0 CEAEHN Cn1cccc1[C@@H]1CCCN1C[C@H](O)COC(C)(C)C ZINC000245985262 370897590 /nfs/dbraw/zinc/89/75/90/370897590.db2.gz ZNBMKQGEHRGBCE-ZFWWWQNUSA-N 0 3 280.412 2.338 10 0 CEAEHN O=C(N[C@@H]1CCC12CCCC2)N1CCN2CCC[C@H]2C1 ZINC000335832448 284022696 /nfs/dbraw/zinc/02/26/96/284022696.db2.gz WJWQHMGJNCBLLV-UONOGXRCSA-N 0 3 277.412 2.199 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cccnc1 ZINC000176162994 368208096 /nfs/dbraw/zinc/20/80/96/368208096.db2.gz DXFLCXKNSJQLDW-DZGCQCFKSA-N 0 3 290.411 2.268 10 0 CEAEHN COc1ccc([C@@H](C)CC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000176205420 368212163 /nfs/dbraw/zinc/21/21/63/368212163.db2.gz DIOVQKYEFQOTQY-DZGCQCFKSA-N 0 3 290.407 2.351 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC000246318842 370945912 /nfs/dbraw/zinc/94/59/12/370945912.db2.gz FJSYZPQLHZBUNA-XJKSGUPXSA-N 0 3 289.423 2.211 10 0 CEAEHN C[C@@H](NC(=O)N(C)CCN(C)C1CC1)C(C)(C)C ZINC000185384406 368800751 /nfs/dbraw/zinc/80/07/51/368800751.db2.gz ZBAWSVAMGXLXSV-LLVKDONJSA-N 0 3 255.406 2.157 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnn(C(C)C)c1 ZINC000188098974 369296155 /nfs/dbraw/zinc/29/61/55/369296155.db2.gz HAXOMUGFSMPNML-HUUCEWRRSA-N 0 3 290.411 2.163 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccncc1C ZINC000188305060 369335747 /nfs/dbraw/zinc/33/57/47/369335747.db2.gz FNPVQUZVOMYFLF-OAHLLOKOSA-N 0 3 290.411 2.016 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000189966267 369583093 /nfs/dbraw/zinc/58/30/93/369583093.db2.gz GVEOMLYXROEUSH-GOEBONIOSA-N 0 3 290.407 2.050 10 0 CEAEHN CCC(=O)CCN1CCC[C@@H](n2ccnc2CC)C1 ZINC000190221948 369605573 /nfs/dbraw/zinc/60/55/73/369605573.db2.gz BUQPWEYYGFTIBL-CYBMUJFWSA-N 0 3 263.385 2.452 10 0 CEAEHN C[C@@H]1C[C@H](CN2C[C@H]3CCCCN3C[C@H]2C)CCO1 ZINC000352605493 369803829 /nfs/dbraw/zinc/80/38/29/369803829.db2.gz NXGBTBQNDRKYHY-KLHDSHLOSA-N 0 3 266.429 2.360 10 0 CEAEHN C[C@H](CCN1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000193582141 369958226 /nfs/dbraw/zinc/95/82/26/369958226.db2.gz SWQRLIDPJOOYQO-NVXWUHKLSA-N 0 3 276.424 2.443 10 0 CEAEHN CCCCOC[C@@H](O)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000193366753 369933525 /nfs/dbraw/zinc/93/35/25/369933525.db2.gz OBWUXSOYBQRYSC-JSGCOSHPSA-N 0 3 295.379 2.244 10 0 CEAEHN Cc1nc(Cl)ccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000194591672 370056152 /nfs/dbraw/zinc/05/61/52/370056152.db2.gz DZVDRYWPANXXKY-NSHDSACASA-N 0 3 294.786 2.355 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)[C@@H](C)c1ccccn1 ZINC000195203834 370114633 /nfs/dbraw/zinc/11/46/33/370114633.db2.gz YSOKKHIUPVHILN-KBPBESRZSA-N 0 3 266.385 2.252 10 0 CEAEHN Cn1nccc1C1CCN(C[C@H]2CCCCO2)CC1 ZINC000195503505 370135673 /nfs/dbraw/zinc/13/56/73/370135673.db2.gz YDKAFQWCZLFLGQ-CQSZACIVSA-N 0 3 263.385 2.169 10 0 CEAEHN CC(C)[C@H]1CNCCN1c1cnc2ccccc2n1 ZINC000217812981 370201221 /nfs/dbraw/zinc/20/12/21/370201221.db2.gz VSVMYEVRIOUTHJ-CQSZACIVSA-N 0 3 256.353 2.064 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCc1ccno1 ZINC000232499804 370505563 /nfs/dbraw/zinc/50/55/63/370505563.db2.gz NHRYTOPYKPZNLS-WCQYABFASA-N 0 3 295.383 2.458 10 0 CEAEHN CC(C)n1cc(CN[C@H]2CCCCC[C@H]2O)cn1 ZINC000232785864 370511082 /nfs/dbraw/zinc/51/10/82/370511082.db2.gz KQAKLORNFPSDRB-UONOGXRCSA-N 0 3 251.374 2.247 10 0 CEAEHN CCC[C@@H]1C[C@H]1NCc1ccc2c(c1)NC(=O)CO2 ZINC000233307593 370518080 /nfs/dbraw/zinc/51/80/80/370518080.db2.gz ZFIZJPPRMPBWQF-VXGBXAGGSA-N 0 3 260.337 2.296 10 0 CEAEHN CC1CC(C(=O)N2CCCc3cccc(CN)c32)C1 ZINC000638546080 370602749 /nfs/dbraw/zinc/60/27/49/370602749.db2.gz ZVEDPWWDWXBKTQ-UHFFFAOYSA-N 0 3 258.365 2.471 10 0 CEAEHN CCC[C@H](N)C(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000236796351 370630128 /nfs/dbraw/zinc/63/01/28/370630128.db2.gz HNFYJEWUCFKUTO-KBPBESRZSA-N 0 3 268.401 2.064 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC000246692818 370995250 /nfs/dbraw/zinc/99/52/50/370995250.db2.gz DGAKBOABUDEACS-GJZGRUSLSA-N 0 3 288.435 2.062 10 0 CEAEHN c1cncc(O[C@H]2CCN(C[C@H]3CCCCO3)C2)c1 ZINC000246812840 371014844 /nfs/dbraw/zinc/01/48/44/371014844.db2.gz RYAUICDFPRXAKJ-CABCVRRESA-N 0 3 262.353 2.104 10 0 CEAEHN COCc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000247104134 371064757 /nfs/dbraw/zinc/06/47/57/371064757.db2.gz IMJQLZYJNOPJKX-CJNGLKHVSA-N 0 3 288.391 2.142 10 0 CEAEHN CSc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)ccn1 ZINC000247317845 371092775 /nfs/dbraw/zinc/09/27/75/371092775.db2.gz MGZMMCUYOZMGMN-WCQYABFASA-N 0 3 293.436 2.262 10 0 CEAEHN CC[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1nccs1 ZINC000247375698 371100397 /nfs/dbraw/zinc/10/03/97/371100397.db2.gz OHCPZQFKYDXQQJ-RYUDHWBXSA-N 0 3 294.424 2.084 10 0 CEAEHN C[C@H](c1cccc(F)c1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247537901 371122899 /nfs/dbraw/zinc/12/28/99/371122899.db2.gz CSLLQFDDCTZNLU-MELADBBJSA-N 0 3 280.387 2.274 10 0 CEAEHN CC(C)OC[C@H](O)CN1CCC[C@H]1c1ccco1 ZINC000247572655 371127542 /nfs/dbraw/zinc/12/75/42/371127542.db2.gz WXUUPSKZEUDRSC-OLZOCXBDSA-N 0 3 253.342 2.202 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccc(F)cn2)C1 ZINC000248546032 371209076 /nfs/dbraw/zinc/20/90/76/371209076.db2.gz FKZFFZDXABVUAP-CMPLNLGQSA-N 0 3 280.347 2.071 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000249515057 371329536 /nfs/dbraw/zinc/32/95/36/371329536.db2.gz QDQLNZVTWKZKAW-GJZGRUSLSA-N 0 3 299.418 2.122 10 0 CEAEHN OC[C@@H]1CN(C[C@H]2CCCCO2)C[C@@H]1c1ccsc1 ZINC000249594431 371344078 /nfs/dbraw/zinc/34/40/78/371344078.db2.gz WKZQELAEBHJKMW-RRFJBIMHSA-N 0 3 281.421 2.325 10 0 CEAEHN N[C@H](C(=O)NCCCCC1CCCC1)C1CCOCC1 ZINC000261687551 371700901 /nfs/dbraw/zinc/70/09/01/371700901.db2.gz HJGQHVNKBQKDGN-HNNXBMFYSA-N 0 3 282.428 2.217 10 0 CEAEHN N[C@@H](C(=O)NCCCCC1CCCC1)C1CCOCC1 ZINC000261687553 371701302 /nfs/dbraw/zinc/70/13/02/371701302.db2.gz HJGQHVNKBQKDGN-OAHLLOKOSA-N 0 3 282.428 2.217 10 0 CEAEHN CNc1ccc(Cl)c(CN(C)[C@@H]2CCCN(C)C2)n1 ZINC000061639135 522622970 /nfs/dbraw/zinc/62/29/70/522622970.db2.gz GTKDWQMKHIMEER-LLVKDONJSA-N 0 3 282.819 2.303 10 0 CEAEHN CC(C)n1ccnc1CN1CCNC[C@@H]1c1cccnc1 ZINC000261887880 371763469 /nfs/dbraw/zinc/76/34/69/371763469.db2.gz ZGPGCMPBLKTRQY-OAHLLOKOSA-N 0 3 285.395 2.006 10 0 CEAEHN NC1(C(=O)Nc2ccnc(-c3ccccc3)c2)CCOCC1 ZINC000261942214 371780300 /nfs/dbraw/zinc/78/03/00/371780300.db2.gz XRGBFGSYLFQCNZ-UHFFFAOYSA-N 0 3 297.358 2.195 10 0 CEAEHN CCC[C@@](C)(N)C(=O)N(CC)C[C@@H](O)c1ccc(C)cc1 ZINC000262607579 371883793 /nfs/dbraw/zinc/88/37/93/371883793.db2.gz CBTDYSGYWKUDFP-NVXWUHKLSA-N 0 3 292.423 2.394 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cc(C)ccc2C)CCCN1 ZINC000643613863 373221025 /nfs/dbraw/zinc/22/10/25/373221025.db2.gz DVMTZWDYZCBFFM-OAHLLOKOSA-N 0 3 262.353 2.011 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(SC)cc2)CCCN1 ZINC000643623220 373224640 /nfs/dbraw/zinc/22/46/40/373224640.db2.gz JNIJZRBGBSMPJN-CQSZACIVSA-N 0 3 280.393 2.116 10 0 CEAEHN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]1CNCCOC1 ZINC000643620563 373225456 /nfs/dbraw/zinc/22/54/56/373225456.db2.gz AQSONRRQOIPUIO-ZBFHGGJFSA-N 0 3 290.407 2.050 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(F)cc1Cl ZINC000282338696 375459105 /nfs/dbraw/zinc/45/91/05/375459105.db2.gz LZAJBTDGFOIDSF-QPUJVOFHSA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)c(F)c1 ZINC000282363707 375465500 /nfs/dbraw/zinc/46/55/00/375465500.db2.gz NMBDFOGFJAGPRP-UFBFGSQYSA-N 0 3 270.735 2.236 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](N)[C@@H](F)C2)C1 ZINC000261508341 190040286 /nfs/dbraw/zinc/04/02/86/190040286.db2.gz RMLUGCZJYTXPOU-KWBADKCTSA-N 0 3 258.337 2.073 10 0 CEAEHN CCCn1ncc(Br)c1[C@@H]1C=CCN1 ZINC000306551223 376549942 /nfs/dbraw/zinc/54/99/42/376549942.db2.gz ZWYSCRHUUQAPRY-VIFPVBQESA-N 0 3 256.147 2.256 10 0 CEAEHN CCN1CC[C@H](N[C@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448724 376850681 /nfs/dbraw/zinc/85/06/81/376850681.db2.gz COVSKAMFCOESCS-OLZOCXBDSA-N 0 3 278.396 2.449 10 0 CEAEHN COc1cc(F)cc(CNC[C@H](O)C(C)(C)C)c1 ZINC000312445838 249372573 /nfs/dbraw/zinc/37/25/73/249372573.db2.gz PVQDAJTVFVDUCU-ZDUSSCGKSA-N 0 3 255.333 2.331 10 0 CEAEHN c1cn2c(nnc2C2CC2)c(NC2CCN(C3CC3)CC2)n1 ZINC000302225109 379334276 /nfs/dbraw/zinc/33/42/76/379334276.db2.gz VCYRUGHBLRNXEL-UHFFFAOYSA-N 0 3 298.394 2.040 10 0 CEAEHN CC1CC(C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000520409461 379463805 /nfs/dbraw/zinc/46/38/05/379463805.db2.gz KSCWGHHDDUUCRB-HGMXIMQMSA-N 0 3 258.365 2.117 10 0 CEAEHN OCCC[C@H]1CCCN1Cc1ccc2c(c1)OCCO2 ZINC000304344249 379559281 /nfs/dbraw/zinc/55/92/81/379559281.db2.gz UCKJJMMOGPEOOH-CQSZACIVSA-N 0 3 277.364 2.195 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@H](C)CS(C)(=O)=O)cc1F ZINC000181363976 542273371 /nfs/dbraw/zinc/27/33/71/542273371.db2.gz YKJDVYWUJTUWMT-JQWIXIFHSA-N 0 3 287.400 2.465 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C\c1ccc[nH]1 ZINC000491976809 380406215 /nfs/dbraw/zinc/40/62/15/380406215.db2.gz NVDFZRBEHZMJKA-WBTMPAOCSA-N 0 3 263.385 2.120 10 0 CEAEHN C[C@H]1C[C@H](O)CN(Cc2ccc3ncccc3c2)C1 ZINC000334748760 207012541 /nfs/dbraw/zinc/01/25/41/207012541.db2.gz YSTNITZUYAQRJC-WFASDCNBSA-N 0 3 256.349 2.438 10 0 CEAEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000037165227 542278712 /nfs/dbraw/zinc/27/87/12/542278712.db2.gz FERLNJOKDBAGOM-YUTCNCBUSA-N 0 3 297.420 2.044 10 0 CEAEHN C[C@H](NCC(=O)N(C)CC1CCCCC1)[C@H]1CCCO1 ZINC000183109747 542287670 /nfs/dbraw/zinc/28/76/70/542287670.db2.gz PDQLTLPHUDSPMI-DZGCQCFKSA-N 0 3 282.428 2.182 10 0 CEAEHN COCCC[C@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000182274736 284921413 /nfs/dbraw/zinc/92/14/13/284921413.db2.gz YOZUBPIUXMRZDD-GOEBONIOSA-N 0 3 292.423 2.468 10 0 CEAEHN C[C@](N)(C(=O)NCc1nc2ccccc2s1)C1CC1 ZINC000040810066 184548396 /nfs/dbraw/zinc/54/83/96/184548396.db2.gz UFTKPKAMDNFIEN-CQSZACIVSA-N 0 3 275.377 2.040 10 0 CEAEHN CCN(C1CC1)S(=O)(=O)c1cccc(CNC(C)C)c1 ZINC000088940849 184614430 /nfs/dbraw/zinc/61/44/30/184614430.db2.gz CDXNTYCMLFREDD-UHFFFAOYSA-N 0 3 296.436 2.358 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263482980 296339063 /nfs/dbraw/zinc/33/90/63/296339063.db2.gz GRFTVLIQBBKVSO-KKOFPSKJSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482980 296339065 /nfs/dbraw/zinc/33/90/65/296339065.db2.gz GRFTVLIQBBKVSO-KKOFPSKJSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482980 296339067 /nfs/dbraw/zinc/33/90/67/296339067.db2.gz GRFTVLIQBBKVSO-KKOFPSKJSA-N 0 3 294.439 2.482 10 0 CEAEHN Cc1c(CN[C@H](C)CN(C)Cc2ccccc2)cnn1C ZINC000288701406 197148118 /nfs/dbraw/zinc/14/81/18/197148118.db2.gz YOZGKNJORUODSV-CQSZACIVSA-N 0 3 286.423 2.339 10 0 CEAEHN N=C(N)c1c(F)cccc1SC1CCOCC1 ZINC000093409355 184671568 /nfs/dbraw/zinc/67/15/68/184671568.db2.gz CZRPHTMSJJPRDS-UHFFFAOYSA-N 0 3 254.330 2.381 10 0 CEAEHN COc1ccc(OC)c([C@H](N)CSc2ncccn2)c1 ZINC000081871173 177869958 /nfs/dbraw/zinc/86/99/58/177869958.db2.gz PZGYFFAIAKGHOM-GFCCVEGCSA-N 0 3 291.376 2.286 10 0 CEAEHN COC[C@H]1CCN(c2ccnc(CNC(C)(C)C)c2)C1 ZINC000081116918 177773335 /nfs/dbraw/zinc/77/33/35/177773335.db2.gz JYEKLJINPHAETO-ZDUSSCGKSA-N 0 3 277.412 2.442 10 0 CEAEHN C[C@@H](N)c1csc(N(C)CC2CCOCC2)n1 ZINC000080831963 177713558 /nfs/dbraw/zinc/71/35/58/177713558.db2.gz IHQFRPFVEZARNG-SECBINFHSA-N 0 3 255.387 2.026 10 0 CEAEHN CCN[C@H]1CCN([C@H](C)Cc2ccc(C)s2)C1=O ZINC000080247855 177631532 /nfs/dbraw/zinc/63/15/32/177631532.db2.gz LNANCBLFBZAVBJ-MFKMUULPSA-N 0 3 266.410 2.198 10 0 CEAEHN CCC[NH2+][C@@]1(C(=O)[O-])CC[C@H](N2CCC(C)CC2)C1 ZINC000093822843 184725617 /nfs/dbraw/zinc/72/56/17/184725617.db2.gz NTCCNYBGGNCSFJ-ZFWWWQNUSA-N 0 3 268.401 2.094 10 0 CEAEHN CCc1ccccc1O[C@H]1CC[C@@](NC(C)C)(C(N)=O)C1 ZINC000093846716 184731828 /nfs/dbraw/zinc/73/18/28/184731828.db2.gz PARHRPHZAONZPQ-YOEHRIQHSA-N 0 3 290.407 2.402 10 0 CEAEHN CCCN[C@@H](c1cc(C)ccc1F)[C@H]1CN(C)CCN1C ZINC000093895821 184740357 /nfs/dbraw/zinc/74/03/57/184740357.db2.gz HTOCZTGURJUJLM-SJORKVTESA-N 0 3 293.430 2.421 10 0 CEAEHN CCCN[C@@H](c1cnccc1C)[C@@H]1CN(CC)CCO1 ZINC000093915517 184742391 /nfs/dbraw/zinc/74/23/91/184742391.db2.gz HAHLRXRAZCCPAD-HOTGVXAUSA-N 0 3 277.412 2.151 10 0 CEAEHN CCCN[C@H](c1cncc(F)c1)[C@@H]1CSCCO1 ZINC000094504894 184812380 /nfs/dbraw/zinc/81/23/80/184812380.db2.gz HSLSFRNJFACFIE-QWHCGFSZSA-N 0 3 270.373 2.393 10 0 CEAEHN Cc1cc(C)cc(CS(=O)(=O)[C@H]2CCCC[C@H]2N)c1 ZINC000094719866 184846315 /nfs/dbraw/zinc/84/63/15/184846315.db2.gz CNQROLWOWJQCFB-CABCVRRESA-N 0 3 281.421 2.488 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)c(N)c1 ZINC000094924189 184894663 /nfs/dbraw/zinc/89/46/63/184894663.db2.gz PSBOKPVKQZAGOW-ZDUSSCGKSA-N 0 3 275.396 2.181 10 0 CEAEHN COc1ccc(CN)c(OCc2nccs2)c1 ZINC000094964747 184907390 /nfs/dbraw/zinc/90/73/90/184907390.db2.gz IOCKTGVIJNHIFF-UHFFFAOYSA-N 0 3 250.323 2.189 10 0 CEAEHN COc1cc(C)c(CN2C[C@@H](C)C[C@H](O)C2)cc1OC ZINC000401510981 533572693 /nfs/dbraw/zinc/57/26/93/533572693.db2.gz VYMHAGIEQPDKRU-FZMZJTMJSA-N 0 3 279.380 2.215 10 0 CEAEHN C[C@@H](N)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000262098447 131191243 /nfs/dbraw/zinc/19/12/43/131191243.db2.gz CILQTNHEJNKYDM-MWLCHTKSSA-N 0 3 274.286 2.014 10 0 CEAEHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCc3ncnn3C2)o1 ZINC000262435642 131219976 /nfs/dbraw/zinc/21/99/76/131219976.db2.gz UHSOPKMTLJJKOL-NTZNESFSSA-N 0 3 272.352 2.099 10 0 CEAEHN NCc1cccc(N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000088416165 135054249 /nfs/dbraw/zinc/05/42/49/135054249.db2.gz IBGWBEDYBVOGFJ-SECBINFHSA-N 0 3 259.275 2.319 10 0 CEAEHN CN(C)[C@H]1CCCN(c2c(F)cc(C=O)cc2F)C1 ZINC000091392084 135068410 /nfs/dbraw/zinc/06/84/10/135068410.db2.gz OZJUCRKSDRTMGZ-NSHDSACASA-N 0 3 268.307 2.308 10 0 CEAEHN CN(C)[C@H]1CCCN(c2ccc(C=O)cc2F)C1 ZINC000091392352 135068468 /nfs/dbraw/zinc/06/84/68/135068468.db2.gz GJENEPJSRJPZJK-LBPRGKRZSA-N 0 3 250.317 2.169 10 0 CEAEHN CC(=O)C(C)(C)CN1CCN(c2ccccc2)CC1 ZINC000091401865 135068737 /nfs/dbraw/zinc/06/87/37/135068737.db2.gz YNMSDCDQCYQTKT-UHFFFAOYSA-N 0 3 260.381 2.424 10 0 CEAEHN CCNCc1cncc(N2CCN(C)c3ccccc32)n1 ZINC000091421735 135069312 /nfs/dbraw/zinc/06/93/12/135069312.db2.gz LRXUBSGJXAXBNW-UHFFFAOYSA-N 0 3 283.379 2.174 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@H](N)Cc3ccccc32)o1 ZINC000091762835 135073916 /nfs/dbraw/zinc/07/39/16/135073916.db2.gz UYXUJNOOLFYQGK-GFCCVEGCSA-N 0 3 270.332 2.372 10 0 CEAEHN COC(=O)C(C)(C)CN1CCN(c2cccc(C)c2)CC1 ZINC000093718088 135081977 /nfs/dbraw/zinc/08/19/77/135081977.db2.gz LLSYCCKWUVVWKI-UHFFFAOYSA-N 0 3 290.407 2.316 10 0 CEAEHN Nc1ccc(N2CCC[C@@H](C(F)(F)F)C2)nc1N ZINC000094260603 135084402 /nfs/dbraw/zinc/08/44/02/135084402.db2.gz WGUVOJJWCSEFGL-SSDOTTSWSA-N 0 3 260.263 2.025 10 0 CEAEHN CC1(C)CC[C@H](CN2CCN(c3ccccn3)CC2)[C@H]1O ZINC000094319370 135086100 /nfs/dbraw/zinc/08/61/00/135086100.db2.gz XJNLVYONPVNUQS-GDBMZVCRSA-N 0 3 289.423 2.001 10 0 CEAEHN Cc1cc(N2CCN3CCCC[C@@H]3C2)ccc1CO ZINC000094439810 135087606 /nfs/dbraw/zinc/08/76/06/135087606.db2.gz AWNNRNSNVLPADX-MRXNPFEDSA-N 0 3 260.381 2.162 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117786610 394759656 /nfs/dbraw/zinc/75/96/56/394759656.db2.gz CTALCTGTNVFFTB-KBPBESRZSA-N 0 3 288.391 2.105 10 0 CEAEHN C[C@@H]1CCC[C@@H](NC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171902100 395099325 /nfs/dbraw/zinc/09/93/25/395099325.db2.gz BNKJRFPXZMDIHW-MGPQQGTHSA-N 0 3 265.401 2.055 10 0 CEAEHN COCCC[C@@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000178076474 395159700 /nfs/dbraw/zinc/15/97/00/395159700.db2.gz XGSKLOOQPWYGGS-VXGBXAGGSA-N 0 3 266.389 2.080 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCC[C@@H]1CCOC1 ZINC000401113672 395255930 /nfs/dbraw/zinc/25/59/30/395255930.db2.gz ITOIYPDBUGVDFS-OAGGEKHMSA-N 0 3 266.429 2.362 10 0 CEAEHN CC(C)COc1ccc([C@H](C)NCCC(N)=O)cc1 ZINC000036746866 400113518 /nfs/dbraw/zinc/11/35/18/400113518.db2.gz YSEIWUXIHPFNES-LBPRGKRZSA-N 0 3 264.369 2.247 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000042372566 400131820 /nfs/dbraw/zinc/13/18/20/400131820.db2.gz CHSDQIKROKDXCA-LDYMZIIASA-N 0 3 285.185 2.364 10 0 CEAEHN C[C@H](COCc1ccccc1)NC[C@@H](O)C(F)(F)F ZINC000390693239 400540346 /nfs/dbraw/zinc/54/03/46/400540346.db2.gz BCQMRNGZBWMJNQ-ZYHUDNBSSA-N 0 3 277.286 2.105 10 0 CEAEHN O[C@H]1CCC[C@H](CN2CCN(Cc3ccccc3)CC2)C1 ZINC000390814344 400541776 /nfs/dbraw/zinc/54/17/76/400541776.db2.gz GOYRIBZYKZDGRD-ROUUACIJSA-N 0 3 288.435 2.355 10 0 CEAEHN O[C@H]1CCC[C@@H](CN2CCN(Cc3ccccc3)CC2)C1 ZINC000390814342 400541905 /nfs/dbraw/zinc/54/19/05/400541905.db2.gz GOYRIBZYKZDGRD-MSOLQXFVSA-N 0 3 288.435 2.355 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1ccc(OC)cc1OC)C(F)(F)F ZINC000062784700 522650475 /nfs/dbraw/zinc/65/04/75/522650475.db2.gz AUCGZBZJNAZZQR-NEPJUHHUSA-N 0 3 293.285 2.191 10 0 CEAEHN CCN(C)c1ccc(CN[C@@H](C)[C@@H]2CCCO2)cn1 ZINC000190755225 153144045 /nfs/dbraw/zinc/14/40/45/153144045.db2.gz XNDZIXVYCROGBU-JSGCOSHPSA-N 0 3 263.385 2.195 10 0 CEAEHN O=C(CCn1ccc2ccccc21)N1CCN2CCC[C@@H]2C1 ZINC000195323357 153282535 /nfs/dbraw/zinc/28/25/35/153282535.db2.gz RVLFGHCPNZBYOP-MRXNPFEDSA-N 0 3 297.402 2.338 10 0 CEAEHN Cc1cccc(O[C@H](C)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195310670 153284289 /nfs/dbraw/zinc/28/42/89/153284289.db2.gz QCCAEBZXTPEJJF-HUUCEWRRSA-N 0 3 288.391 2.069 10 0 CEAEHN CCCCN(CCCC)C(=O)CN1CC[C@@H](CCO)C1 ZINC000227568681 153346324 /nfs/dbraw/zinc/34/63/24/153346324.db2.gz MLKBJNVUEBZGKS-HNNXBMFYSA-N 0 3 284.444 2.120 10 0 CEAEHN CCC1(CNCc2c(C)nn(C)c2OC)CCC1 ZINC000227763002 153350178 /nfs/dbraw/zinc/35/01/78/153350178.db2.gz QCJCFUJLIUJZED-UHFFFAOYSA-N 0 3 251.374 2.407 10 0 CEAEHN CN1CCNC[C@H]1c1noc(C2(c3ccccc3)CCC2)n1 ZINC000263182023 154032784 /nfs/dbraw/zinc/03/27/84/154032784.db2.gz GUXZCUYLQLMNPU-AWEZNQCLSA-N 0 3 298.390 2.116 10 0 CEAEHN Cc1ccc(-c2nc([C@H]3CNCCN3C)no2)cc1Cl ZINC000263301506 154051782 /nfs/dbraw/zinc/05/17/82/154051782.db2.gz XAZWFTKPTDHJDW-GFCCVEGCSA-N 0 3 292.770 2.275 10 0 CEAEHN CCc1onc(C)c1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000164659990 162336585 /nfs/dbraw/zinc/33/65/85/162336585.db2.gz PYYZUVPZLJVNFX-GFCCVEGCSA-N 0 3 281.400 2.252 10 0 CEAEHN Cc1ccc(-c2noc(C3(CN)CCOCC3)n2)cc1 ZINC000166099113 162346989 /nfs/dbraw/zinc/34/69/89/162346989.db2.gz GXMIVUSHVBIMMH-UHFFFAOYSA-N 0 3 273.336 2.052 10 0 CEAEHN O=C(NCc1ccc2c(c1)CNC2)c1ccncc1Cl ZINC000134525692 165030874 /nfs/dbraw/zinc/03/08/74/165030874.db2.gz PFEZSDXKKAIFMD-UHFFFAOYSA-N 0 3 287.750 2.268 10 0 CEAEHN CCC(CC)CNC(=O)N[C@H]1CCCN(CC)C1 ZINC000171654648 165050964 /nfs/dbraw/zinc/05/09/64/165050964.db2.gz LSNJVXMJWWMWOZ-ZDUSSCGKSA-N 0 3 255.406 2.206 10 0 CEAEHN O=C(NCCCC1CCCC1)N1CCN2CCC[C@@H]2C1 ZINC000171901295 165054372 /nfs/dbraw/zinc/05/43/72/165054372.db2.gz YTHNZEFJHPSQBD-OAHLLOKOSA-N 0 3 279.428 2.446 10 0 CEAEHN Cc1csc([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)n1 ZINC000173587741 165073831 /nfs/dbraw/zinc/07/38/31/165073831.db2.gz MKNRCXJNUGDALB-ZDUSSCGKSA-N 0 3 295.452 2.498 10 0 CEAEHN Cc1nnc([C@H]2CN(c3ccnc4ccccc43)CCO2)[nH]1 ZINC000175777786 165145916 /nfs/dbraw/zinc/14/59/16/165145916.db2.gz NMXFTJAOWWMUBN-OAHLLOKOSA-N 0 3 295.346 2.239 10 0 CEAEHN Cc1nc([C@H]2CN(c3ccnc4ccccc43)CCO2)n[nH]1 ZINC000175777786 165145917 /nfs/dbraw/zinc/14/59/17/165145917.db2.gz NMXFTJAOWWMUBN-OAHLLOKOSA-N 0 3 295.346 2.239 10 0 CEAEHN CCCSCC(=O)N(C)C[C@@H]1CCCN1CC ZINC000177026114 165183676 /nfs/dbraw/zinc/18/36/76/165183676.db2.gz QPQVQMBRNUDFTL-LBPRGKRZSA-N 0 3 258.431 2.072 10 0 CEAEHN c1cn2c(cccc2CN2CCC(c3cc[nH]n3)CC2)n1 ZINC000179981698 165297014 /nfs/dbraw/zinc/29/70/14/165297014.db2.gz BATDUFWZHJFEGI-UHFFFAOYSA-N 0 3 281.363 2.437 10 0 CEAEHN C[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccoc1 ZINC000180930894 165326123 /nfs/dbraw/zinc/32/61/23/165326123.db2.gz TUDFOZXXOMQJSY-TZMCWYRMSA-N 0 3 272.352 2.389 10 0 CEAEHN CC(=O)NCCN[C@H](C)c1ccccc1C(F)(F)F ZINC000020148828 171036810 /nfs/dbraw/zinc/03/68/10/171036810.db2.gz FVMRBCHBGMMQPV-SECBINFHSA-N 0 3 274.286 2.492 10 0 CEAEHN COc1cccc([C@@H](N)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000020431194 171196080 /nfs/dbraw/zinc/19/60/80/171196080.db2.gz YPNFIYXMOUAXNG-QGZVFWFLSA-N 0 3 282.343 2.262 10 0 CEAEHN NC(=O)C[C@H](N)c1ccc(SC(F)(F)F)cc1 ZINC000020578115 171256190 /nfs/dbraw/zinc/25/61/90/171256190.db2.gz PGAVGAVRAADTRP-QMMMGPOBSA-N 0 3 264.272 2.174 10 0 CEAEHN CCOc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000021167796 171298779 /nfs/dbraw/zinc/29/87/79/171298779.db2.gz IAIAIVAPSUTRNW-CQSZACIVSA-N 0 3 289.379 2.397 10 0 CEAEHN CCOc1cc(CNCCN(C)C)ccc1OC(F)F ZINC000021968007 171344130 /nfs/dbraw/zinc/34/41/30/171344130.db2.gz AAQLLKXVNJRZLA-UHFFFAOYSA-N 0 3 288.338 2.338 10 0 CEAEHN CCN(CC)[C@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000022156413 171362452 /nfs/dbraw/zinc/36/24/52/171362452.db2.gz LCPILZOBRBXUSC-SECBINFHSA-N 0 3 253.321 2.077 10 0 CEAEHN CCN(CC)[C@H](C)C(=O)Nc1ccc(F)cc1N ZINC000022155664 171362707 /nfs/dbraw/zinc/36/27/07/171362707.db2.gz PJXKZCBIAQSILC-SECBINFHSA-N 0 3 253.321 2.077 10 0 CEAEHN NC[C@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000022216045 171375715 /nfs/dbraw/zinc/37/57/15/171375715.db2.gz JHLCTKRJCCGYFE-MRXNPFEDSA-N 0 3 253.349 2.140 10 0 CEAEHN CCN1CCN(C[C@H](N)c2c(C)cc(C)cc2C)CC1 ZINC000022563154 171390993 /nfs/dbraw/zinc/39/09/93/171390993.db2.gz SZPKXUQPWWJACG-INIZCTEOSA-N 0 3 275.440 2.249 10 0 CEAEHN CN(C)CCNCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000030824801 171624294 /nfs/dbraw/zinc/62/42/94/171624294.db2.gz ZNTILDFZSQODAV-UHFFFAOYSA-N 0 3 280.759 2.041 10 0 CEAEHN N[C@@H](Cc1ncc[nH]1)c1ccc(Br)o1 ZINC000035382277 172164775 /nfs/dbraw/zinc/16/47/75/172164775.db2.gz NIEIEDJILUPLJD-LURJTMIESA-N 0 3 256.103 2.008 10 0 CEAEHN C[C@@H]1CCCN(c2nc3sccn3c2CN)C1 ZINC000035429689 172198073 /nfs/dbraw/zinc/19/80/73/172198073.db2.gz FFIJMAADWINTNM-SECBINFHSA-N 0 3 250.371 2.091 10 0 CEAEHN CCN(C)C(=O)COc1c(Cl)cc(Cl)cc1CN ZINC000035661864 172339244 /nfs/dbraw/zinc/33/92/44/172339244.db2.gz IKMORBXBQCRUNK-UHFFFAOYSA-N 0 3 291.178 2.309 10 0 CEAEHN N[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000035679612 172350387 /nfs/dbraw/zinc/35/03/87/172350387.db2.gz LKPDMIJKCIHXHP-ZETCQYMHSA-N 0 3 278.661 2.423 10 0 CEAEHN Cn1cc(N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000035737447 172390779 /nfs/dbraw/zinc/39/07/79/172390779.db2.gz YNAHGAHVOKQACQ-AWEZNQCLSA-N 0 3 256.353 2.107 10 0 CEAEHN CC(C)c1ccc2c(c1)[C@H](N)[C@@H](C)CS2(=O)=O ZINC000035755745 172396201 /nfs/dbraw/zinc/39/62/01/172396201.db2.gz UEOUHOVNFXMWJR-TVQRCGJNSA-N 0 3 253.367 2.233 10 0 CEAEHN CC(C)N[C@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760538 172398596 /nfs/dbraw/zinc/39/85/96/172398596.db2.gz BBHSDXHXNVMCJZ-LBPRGKRZSA-N 0 3 253.367 2.293 10 0 CEAEHN CCCN[C@@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760600 172398883 /nfs/dbraw/zinc/39/88/83/172398883.db2.gz AWKIWZPLHYTMNA-CMPLNLGQSA-N 0 3 253.367 2.293 10 0 CEAEHN CCCN[C@@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761340 172399094 /nfs/dbraw/zinc/39/90/94/172399094.db2.gz VESRIGQSVZHOQE-GFCCVEGCSA-N 0 3 271.357 2.434 10 0 CEAEHN CN([C@@H](CN)c1c(F)cccc1F)[C@@H]1CCSC1 ZINC000037174470 173008198 /nfs/dbraw/zinc/00/81/98/173008198.db2.gz VVIWRTIQBZQQHX-SKDRFNHKSA-N 0 3 272.364 2.402 10 0 CEAEHN NC(=O)CN[C@@H](Cc1cccs1)c1cccs1 ZINC000037184008 173016321 /nfs/dbraw/zinc/01/63/21/173016321.db2.gz QBVBLINQDXOZIR-JTQLQIEISA-N 0 3 266.391 2.168 10 0 CEAEHN COc1nc2sccn2c1CNC1CCCC1 ZINC000037186853 173017510 /nfs/dbraw/zinc/01/75/10/173017510.db2.gz YPNNVBSDPURVEK-UHFFFAOYSA-N 0 3 251.355 2.437 10 0 CEAEHN Cc1ncsc1[C@@H](C)N[C@H]1CN2CCC1CC2 ZINC000037211768 173033710 /nfs/dbraw/zinc/03/37/10/173033710.db2.gz VNLVQOYPKORQQI-PWSUYJOCSA-N 0 3 251.399 2.196 10 0 CEAEHN C[C@H](COc1ccc(Cl)cc1CNC1CC1)C(N)=O ZINC000037226840 173047410 /nfs/dbraw/zinc/04/74/10/173047410.db2.gz UOLKJVHFHUNFMK-SECBINFHSA-N 0 3 282.771 2.092 10 0 CEAEHN COc1nc2sccn2c1CN[C@H](C)[C@@H]1CCCO1 ZINC000037242479 173058360 /nfs/dbraw/zinc/05/83/60/173058360.db2.gz SJZABVOFENODPP-KOLCDFICSA-N 0 3 281.381 2.062 10 0 CEAEHN COC(=O)CCN[C@H](C)c1ccc(OC)cc1F ZINC000037252148 173063644 /nfs/dbraw/zinc/06/36/44/173063644.db2.gz TVEGAEIXSCOBJF-SECBINFHSA-N 0 3 255.289 2.048 10 0 CEAEHN COC(=O)CCN[C@@H]1CSCc2ccccc21 ZINC000037252324 173064744 /nfs/dbraw/zinc/06/47/44/173064744.db2.gz BOIJDRYUUSDOGV-GFCCVEGCSA-N 0 3 251.351 2.127 10 0 CEAEHN CCOc1ccccc1NC(=O)CN[C@@H](C)CC ZINC000037386350 173168634 /nfs/dbraw/zinc/16/86/34/173168634.db2.gz CNBWZWVPHDHNLG-NSHDSACASA-N 0 3 250.342 2.412 10 0 CEAEHN O=C(CNC1CCCC1)Nc1cccnc1Cl ZINC000037388749 173172409 /nfs/dbraw/zinc/17/24/09/173172409.db2.gz NNDNVEZPIZWNGK-UHFFFAOYSA-N 0 3 253.733 2.206 10 0 CEAEHN COCCN(CCOC)[C@H](CN)c1ccc(SC)cc1 ZINC000037489469 173231333 /nfs/dbraw/zinc/23/13/33/173231333.db2.gz VUQHPERPIZQAMO-OAHLLOKOSA-N 0 3 298.452 2.003 10 0 CEAEHN CS(=O)(=O)CCNCCc1ccc(Cl)cc1Cl ZINC000037491296 173232374 /nfs/dbraw/zinc/23/23/74/173232374.db2.gz PGBCYFXBFOBGGH-UHFFFAOYSA-N 0 3 296.219 2.170 10 0 CEAEHN C[C@](NC1CC1)(C(N)=O)c1cccc2ccccc21 ZINC000037514627 173246034 /nfs/dbraw/zinc/24/60/34/173246034.db2.gz CQDXYEQYDYEHOK-MRXNPFEDSA-N 0 3 254.333 2.292 10 0 CEAEHN NC1(C(=O)N(Cc2ccco2)C2CC2)CCCCC1 ZINC000037806095 173747473 /nfs/dbraw/zinc/74/74/73/173747473.db2.gz WMQXLTGSXLKDIF-UHFFFAOYSA-N 0 3 262.353 2.432 10 0 CEAEHN CCn1c2ccccc2nc1CN[C@H]1CN2CCC1CC2 ZINC000038046617 174055412 /nfs/dbraw/zinc/05/54/12/174055412.db2.gz RFQWVIWLLLPAKY-HNNXBMFYSA-N 0 3 284.407 2.240 10 0 CEAEHN CC[C@@H](C)N[C@@]1(C(N)=O)CCSc2ccccc21 ZINC000038065302 174075916 /nfs/dbraw/zinc/07/59/16/174075916.db2.gz XIKFQQQAZUDMCG-YGRLFVJLSA-N 0 3 264.394 2.251 10 0 CEAEHN CCC(CC)N1C(=O)C[C@H](NCCCC(C)C)C1=O ZINC000038093762 174107672 /nfs/dbraw/zinc/10/76/72/174107672.db2.gz LIZLHXSMKOHOSN-ZDUSSCGKSA-N 0 3 268.401 2.328 10 0 CEAEHN Cc1ccc([C@@H](C)NC[C@@H](O)COCc2ccco2)o1 ZINC000038097799 174111939 /nfs/dbraw/zinc/11/19/39/174111939.db2.gz NZDRCWATSFKIKY-CHWSQXEVSA-N 0 3 279.336 2.409 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@H](O)COCc2ccco2)o1 ZINC000038097798 174112089 /nfs/dbraw/zinc/11/20/89/174112089.db2.gz NZDRCWATSFKIKY-STQMWFEESA-N 0 3 279.336 2.409 10 0 CEAEHN OC[C@@H](NC1CC1)c1ccc(Br)cc1 ZINC000038124273 174130968 /nfs/dbraw/zinc/13/09/68/174130968.db2.gz XUPPADLDSBNTMT-LLVKDONJSA-N 0 3 256.143 2.235 10 0 CEAEHN CSCC[C@H](N)C(=O)N(CCC(C)C)C1CC1 ZINC000040467344 174275441 /nfs/dbraw/zinc/27/54/41/174275441.db2.gz MTQRTEMIAPGYJK-LBPRGKRZSA-N 0 3 258.431 2.104 10 0 CEAEHN CC(C)N(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C ZINC000040467925 174276122 /nfs/dbraw/zinc/27/61/22/174276122.db2.gz AFUPSEWUJGVBEB-MRVPVSSYSA-N 0 3 254.296 2.159 10 0 CEAEHN COC(=O)[C@H](C)CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491090 174292637 /nfs/dbraw/zinc/29/26/37/174292637.db2.gz DMLJCVOWYICAMH-MNOVXSKESA-N 0 3 281.352 2.164 10 0 CEAEHN Cc1ccc(OC[C@@H](C)N[C@H](C)C(=O)NC(C)C)cc1 ZINC000040499828 174296633 /nfs/dbraw/zinc/29/66/33/174296633.db2.gz GXERUMXZLMXICS-ZIAGYGMSSA-N 0 3 278.396 2.265 10 0 CEAEHN CCN1CCC[C@@H](NCc2cn(C)nc2C(C)C)C1 ZINC000040502972 174299563 /nfs/dbraw/zinc/29/95/63/174299563.db2.gz OPPCJQSTJQTCKR-CQSZACIVSA-N 0 3 264.417 2.117 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)[C@H](N)CC(C)C)s1 ZINC000040519046 174308858 /nfs/dbraw/zinc/30/88/58/174308858.db2.gz NEGDLFVDFPDMOG-MWLCHTKSSA-N 0 3 269.414 2.311 10 0 CEAEHN CCN(CC)[C@@H](CNC(C)=O)c1ccc(OC)cc1 ZINC000040614841 174353840 /nfs/dbraw/zinc/35/38/40/174353840.db2.gz SUCSNYPSCDSIBV-HNNXBMFYSA-N 0 3 264.369 2.214 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)NCc1cc2c(s1)CCC2 ZINC000040627916 174357061 /nfs/dbraw/zinc/35/70/61/174357061.db2.gz XXXMXXYDBDJRCH-RNCFNFMXSA-N 0 3 266.410 2.226 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000040629941 174357594 /nfs/dbraw/zinc/35/75/94/174357594.db2.gz JCLMZGGIDIIKRE-KGLIPLIRSA-N 0 3 276.380 2.300 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3ccc(C)cc3)c[nH]2)C1 ZINC000040637726 174361609 /nfs/dbraw/zinc/36/16/09/174361609.db2.gz MSJNPQVFESXZNU-CHWSQXEVSA-N 0 3 257.337 2.435 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3ccccc3F)c[nH]2)C1 ZINC000040637839 174361864 /nfs/dbraw/zinc/36/18/64/174361864.db2.gz ZQBUPBPVLQZIIB-BXKDBHETSA-N 0 3 261.300 2.265 10 0 CEAEHN COc1ccccc1-c1c[nH]c([C@H]2C[C@@H](OC)CN2)n1 ZINC000040637918 174362398 /nfs/dbraw/zinc/36/23/98/174362398.db2.gz RXDTYRTXYBFVET-ZYHUDNBSSA-N 0 3 273.336 2.135 10 0 CEAEHN Cc1nc([C@@H](C)NCCc2nccn2C)c(C)s1 ZINC000040638972 174363111 /nfs/dbraw/zinc/36/31/11/174363111.db2.gz JXMYJWPVXRGRNH-SECBINFHSA-N 0 3 264.398 2.387 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2ccccc2F)CC1 ZINC000040678719 174374883 /nfs/dbraw/zinc/37/48/83/174374883.db2.gz WAMDHQUZJROPKG-HNNXBMFYSA-N 0 3 266.360 2.326 10 0 CEAEHN CCOC1CCN(C[C@@H](N)c2ccccc2C)CC1 ZINC000040689257 174375970 /nfs/dbraw/zinc/37/59/70/174375970.db2.gz NKFFZFJXBWYFQY-MRXNPFEDSA-N 0 3 262.397 2.496 10 0 CEAEHN C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)c2ccccc2N1 ZINC000040716167 174383713 /nfs/dbraw/zinc/38/37/13/174383713.db2.gz QDFBSUZOWGKCKO-GZBFAFLISA-N 0 3 287.407 2.185 10 0 CEAEHN COc1cc([C@H](CN)N2CC[C@@H](C)C2)cc(OC)c1OC ZINC000040717630 174384845 /nfs/dbraw/zinc/38/48/45/174384845.db2.gz MUIBOLVDTLXCEJ-YPMHNXCESA-N 0 3 294.395 2.054 10 0 CEAEHN Cc1nn(-c2ccccc2)c(N2CC[C@H](C)C2)c1CN ZINC000040723760 174385806 /nfs/dbraw/zinc/38/58/06/174385806.db2.gz GGMZTOQXZVENEW-LBPRGKRZSA-N 0 3 270.380 2.486 10 0 CEAEHN CCc1c(C)nn(C[C@H](N)c2ccc3c(c2)OCO3)c1C ZINC000040732277 174388660 /nfs/dbraw/zinc/38/86/60/174388660.db2.gz YVLCDVXSMQICDC-AWEZNQCLSA-N 0 3 287.363 2.491 10 0 CEAEHN CN(C(=O)CCCc1cccs1)[C@@H](CN)C(F)(F)F ZINC000662976735 414817063 /nfs/dbraw/zinc/81/70/63/414817063.db2.gz PYHJUECSAFDSRO-JTQLQIEISA-N 0 3 294.342 2.419 10 0 CEAEHN CN(C(=O)CCc1ccc(F)cc1)[C@H](CN)C(F)(F)F ZINC000662976620 414817119 /nfs/dbraw/zinc/81/71/19/414817119.db2.gz GZJVXVVISOCPAW-LLVKDONJSA-N 0 3 292.276 2.106 10 0 CEAEHN Cc1c(F)cccc1C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662987777 414818387 /nfs/dbraw/zinc/81/83/87/414818387.db2.gz YWFYCPJRWFVACA-SNVBAGLBSA-N 0 3 278.249 2.096 10 0 CEAEHN CCc1ccccc1C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662983983 414818399 /nfs/dbraw/zinc/81/83/99/414818399.db2.gz HHWIFARNEMNVCB-NSHDSACASA-N 0 3 274.286 2.211 10 0 CEAEHN Cc1ncc(CN[C@H](C)COCc2ccccc2)n1C ZINC000657378875 414900582 /nfs/dbraw/zinc/90/05/82/414900582.db2.gz NKDVZDPDBLQHTK-CYBMUJFWSA-N 0 3 273.380 2.423 10 0 CEAEHN N[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299968 175001179 /nfs/dbraw/zinc/00/11/79/175001179.db2.gz FQWZNXBRVLMDCT-GXSJLCMTSA-N 0 3 293.310 2.140 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043301107 175002000 /nfs/dbraw/zinc/00/20/00/175002000.db2.gz BVBMGSQEISGMDC-HIFRSBDPSA-N 0 3 281.421 2.389 10 0 CEAEHN C[C@@H](N)[C@H](c1ccco1)N(C)C[C@@H]1CCCCO1 ZINC000043335730 175011176 /nfs/dbraw/zinc/01/11/76/175011176.db2.gz HCPOCRDUWJQCCI-MBNYWOFBSA-N 0 3 252.358 2.169 10 0 CEAEHN CN(C)c1cccc(O[C@@H](CN)c2cccnc2)c1 ZINC000043351440 175019960 /nfs/dbraw/zinc/01/99/60/175019960.db2.gz IGEQOLBNZDLBAT-HNNXBMFYSA-N 0 3 257.337 2.226 10 0 CEAEHN COc1ccc(CO[C@H](CN)c2ccncc2)cc1 ZINC000043355848 175023363 /nfs/dbraw/zinc/02/33/63/175023363.db2.gz ISGQDJNGQUAWPT-OAHLLOKOSA-N 0 3 258.321 2.307 10 0 CEAEHN CN(C)c1cccc(O[C@H](CN)c2ccncc2)c1 ZINC000043356311 175023484 /nfs/dbraw/zinc/02/34/84/175023484.db2.gz HJKXBSLHTAAAGT-OAHLLOKOSA-N 0 3 257.337 2.226 10 0 CEAEHN Cc1ccc([C@H]([C@H](C)N)N(C)C[C@@H]2CCCO2)o1 ZINC000043364763 175025948 /nfs/dbraw/zinc/02/59/48/175025948.db2.gz WMSJEPCJJMSSMT-OBJOEFQTSA-N 0 3 252.358 2.087 10 0 CEAEHN CN[C@H](CN1CCC(OC)CC1)c1ccccc1OC ZINC000043889926 175117599 /nfs/dbraw/zinc/11/75/99/175117599.db2.gz PLYIPCAXFMJNDP-OAHLLOKOSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@@H]1N(C)Cc1ccccn1 ZINC000043894371 175119236 /nfs/dbraw/zinc/11/92/36/175119236.db2.gz VCHIHWQGJOYRPL-RDJZCZTQSA-N 0 3 283.375 2.235 10 0 CEAEHN CCCOc1ccc([C@H](CN(C)CCOC)NC)cc1 ZINC000043915477 175125275 /nfs/dbraw/zinc/12/52/75/175125275.db2.gz PTWGKCBKQMNBNQ-INIZCTEOSA-N 0 3 280.412 2.314 10 0 CEAEHN CCn1cc([C@@H](C)N[C@@H]2CCCN(CC)C2)cn1 ZINC000044500062 175185117 /nfs/dbraw/zinc/18/51/17/175185117.db2.gz RKUXVVUJFIZESQ-TZMCWYRMSA-N 0 3 250.390 2.038 10 0 CEAEHN C[C@@H](C1CC1)N(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044801953 175255560 /nfs/dbraw/zinc/25/55/60/175255560.db2.gz LNFARKGXALDPKJ-WFASDCNBSA-N 0 3 260.381 2.061 10 0 CEAEHN CC[C@H](C)N(CC)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044800650 175255565 /nfs/dbraw/zinc/25/55/65/175255565.db2.gz UCZYTBPMQUYEEH-DZGCQCFKSA-N 0 3 262.397 2.451 10 0 CEAEHN CCC1CCN(C(=O)[C@@H](CN)Cc2ccccc2)CC1 ZINC000044804249 175256263 /nfs/dbraw/zinc/25/62/63/175256263.db2.gz AOTXJYNHPIKYBV-MRXNPFEDSA-N 0 3 274.408 2.453 10 0 CEAEHN CC[C@@H](NC(=O)[C@@H](CN)Cc1ccccc1)C(C)C ZINC000044805649 175256692 /nfs/dbraw/zinc/25/66/92/175256692.db2.gz BIASUXUJSWSVGR-HUUCEWRRSA-N 0 3 262.397 2.355 10 0 CEAEHN CCC(CC)(C(N)=S)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000045009318 175289359 /nfs/dbraw/zinc/28/93/59/175289359.db2.gz MILKWWUKZUBKJI-GFCCVEGCSA-N 0 3 299.484 2.070 10 0 CEAEHN COCC[C@H](C)N[C@@H](CC(=O)OC)c1cccs1 ZINC000045023371 175292447 /nfs/dbraw/zinc/29/24/47/175292447.db2.gz DIRFMWGKSQKCHL-QWRGUYRKSA-N 0 3 271.382 2.367 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H](O)c1ccccc1 ZINC000045169702 175320528 /nfs/dbraw/zinc/32/05/28/175320528.db2.gz YGGJATLJNZDVIR-IAQYHMDHSA-N 0 3 273.380 2.421 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1CCC[C@@H]1CC)C(=O)[O-] ZINC000045221246 175330332 /nfs/dbraw/zinc/33/03/32/175330332.db2.gz ZMUNCPXTCUGXJB-GXTWGEPZSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224103 175332008 /nfs/dbraw/zinc/33/20/08/175332008.db2.gz KOSOLTIMQNRMSV-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224103 175332010 /nfs/dbraw/zinc/33/20/10/175332010.db2.gz KOSOLTIMQNRMSV-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269262 175340750 /nfs/dbraw/zinc/34/07/50/175340750.db2.gz DJCWEQIATOWNMX-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269262 175340751 /nfs/dbraw/zinc/34/07/51/175340751.db2.gz DJCWEQIATOWNMX-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCCCN(C)CC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045268198 175340955 /nfs/dbraw/zinc/34/09/55/175340955.db2.gz UAYULLFHDDQOCT-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCCC[N@H+](C)CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000045268198 175340957 /nfs/dbraw/zinc/34/09/57/175340957.db2.gz UAYULLFHDDQOCT-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCCC[N@@H+](C)CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000045268198 175340959 /nfs/dbraw/zinc/34/09/59/175340959.db2.gz UAYULLFHDDQOCT-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@](C)(CN(C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045274714 175344826 /nfs/dbraw/zinc/34/48/26/175344826.db2.gz MFYAHFAELUWLKP-SWLSCSKDSA-N 0 3 272.433 2.284 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](CCC)CC1CC1)C(=O)[O-] ZINC000045276872 175346272 /nfs/dbraw/zinc/34/62/72/175346272.db2.gz IKTNQPGCOMEGJW-HNNXBMFYSA-N 0 3 270.417 2.341 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](CCC)CC1CC1)C(=O)[O-] ZINC000045276872 175346273 /nfs/dbraw/zinc/34/62/73/175346273.db2.gz IKTNQPGCOMEGJW-HNNXBMFYSA-N 0 3 270.417 2.341 10 0 CEAEHN CCOC(=O)[C@@H](CN(C)C1CCCCC1)NC(C)C ZINC000045379021 175368064 /nfs/dbraw/zinc/36/80/64/175368064.db2.gz WISYYEUOLZZVIP-CQSZACIVSA-N 0 3 270.417 2.181 10 0 CEAEHN COC(=O)[C@@H](CN(C)C1CCCCCC1)NC(C)C ZINC000045419098 175377551 /nfs/dbraw/zinc/37/75/51/175377551.db2.gz POLONNXEIPOLOT-CQSZACIVSA-N 0 3 270.417 2.181 10 0 CEAEHN C[C@H](NC[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1F ZINC000658245593 415281477 /nfs/dbraw/zinc/28/14/77/415281477.db2.gz SRTJXBLMGVQBJQ-UWVGGRQHSA-N 0 3 268.307 2.094 10 0 CEAEHN Cc1cccc(OCCN(C)C[C@@H](O)COC(C)(C)C)c1 ZINC000052816207 175538679 /nfs/dbraw/zinc/53/86/79/175538679.db2.gz GENAFBLCNGCPAE-OAHLLOKOSA-N 0 3 295.423 2.482 10 0 CEAEHN CC(C)[C@H](c1cccs1)N1CCC[C@H](N)C1=O ZINC000070494960 175956433 /nfs/dbraw/zinc/95/64/33/175956433.db2.gz MECBVTBUSPWWKH-CMPLNLGQSA-N 0 3 252.383 2.395 10 0 CEAEHN NC(=S)C1CCN(CCc2ccsc2)CC1 ZINC000070664053 176000173 /nfs/dbraw/zinc/00/01/73/176000173.db2.gz IDVHPEAHLHZILE-UHFFFAOYSA-N 0 3 254.424 2.289 10 0 CEAEHN Cc1ncsc1CN(C)c1nc(CN)cs1 ZINC000070682424 176001462 /nfs/dbraw/zinc/00/14/62/176001462.db2.gz OZKMHAVMQSUQQT-UHFFFAOYSA-N 0 3 254.384 2.003 10 0 CEAEHN CNCc1ccn(Cc2sccc2Br)n1 ZINC000070708971 176002752 /nfs/dbraw/zinc/00/27/52/176002752.db2.gz AOWVJHIPCHKJSY-UHFFFAOYSA-N 0 3 286.198 2.475 10 0 CEAEHN N[C@H]1CCC(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000070824363 176007628 /nfs/dbraw/zinc/00/76/28/176007628.db2.gz PPTMLZBXMLQHEM-GZMMTYOYSA-N 0 3 259.136 2.272 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1cccc2cccnc21 ZINC000070987264 176018356 /nfs/dbraw/zinc/01/83/56/176018356.db2.gz JJFGVQYEHPKUJC-YOEHRIQHSA-N 0 3 281.359 2.388 10 0 CEAEHN Cc1ccc2cccc(N3CC[C@@H](NC4CC4)C3=O)c2n1 ZINC000071031458 176022992 /nfs/dbraw/zinc/02/29/92/176022992.db2.gz UUXYENQHQFLCIM-CQSZACIVSA-N 0 3 281.359 2.401 10 0 CEAEHN CSc1ccc(N2CC[C@@H](NC3CC3)C2=O)cc1 ZINC000071037948 176026447 /nfs/dbraw/zinc/02/64/47/176026447.db2.gz CPAFMVLXSUSRER-CYBMUJFWSA-N 0 3 262.378 2.266 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc(OC(F)F)cc1 ZINC000071039450 176027099 /nfs/dbraw/zinc/02/70/99/176027099.db2.gz GSNRLLDGEBNHJW-LBPRGKRZSA-N 0 3 282.290 2.145 10 0 CEAEHN Cc1ccc(F)c(N2CC[C@H](NC(C)C)C2=O)c1 ZINC000071039064 176027142 /nfs/dbraw/zinc/02/71/42/176027142.db2.gz XMWIQDNBIUGEEB-LBPRGKRZSA-N 0 3 250.317 2.237 10 0 CEAEHN C[C@@H](c1cccs1)N1CC[C@@H](NC2CC2)C1=O ZINC000071040249 176027724 /nfs/dbraw/zinc/02/77/24/176027724.db2.gz RFGQZENECPMQTD-GXSJLCMTSA-N 0 3 250.367 2.162 10 0 CEAEHN COc1ccc(N2CCC[C@@H](NC(C)C)C2=O)c(C)c1 ZINC000071042630 176028411 /nfs/dbraw/zinc/02/84/11/176028411.db2.gz GWWVFPWKNLWDNK-CQSZACIVSA-N 0 3 276.380 2.497 10 0 CEAEHN CCN[C@H]1CCCN(c2ccc(OC)cc2C)C1=O ZINC000071042627 176028543 /nfs/dbraw/zinc/02/85/43/176028543.db2.gz ITCIBYFONMSWKA-ZDUSSCGKSA-N 0 3 262.353 2.109 10 0 CEAEHN CCN[C@H]1CCCN(c2cc(F)cc(F)c2F)C1=O ZINC000071042861 176029344 /nfs/dbraw/zinc/02/93/44/176029344.db2.gz AWCRXECCVXMXDZ-JTQLQIEISA-N 0 3 272.270 2.209 10 0 CEAEHN CN[C@@H]1CCCN(c2ccc(C)c(Br)c2)C1=O ZINC000071043647 176030016 /nfs/dbraw/zinc/03/00/16/176030016.db2.gz UXFLBXQELBTPMF-GFCCVEGCSA-N 0 3 297.196 2.472 10 0 CEAEHN Cc1nn(C[C@H]2OCCc3ccccc32)c(C)c1CN ZINC000071092270 176032257 /nfs/dbraw/zinc/03/22/57/176032257.db2.gz MRMKJKNHOQCWQW-MRXNPFEDSA-N 0 3 271.364 2.273 10 0 CEAEHN CN[C@@H](C)c1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071098988 176032442 /nfs/dbraw/zinc/03/24/42/176032442.db2.gz TXPNDZMTNOZIHP-LRDDRELGSA-N 0 3 271.364 2.478 10 0 CEAEHN CCOc1cncc(Nc2ccc(OCC)c(CN)c2)n1 ZINC000071177471 176055175 /nfs/dbraw/zinc/05/51/75/176055175.db2.gz IVWDWTTUPFNUBF-UHFFFAOYSA-N 0 3 288.351 2.476 10 0 CEAEHN C[C@H](c1ccccc1F)N(C)c1cnc(CN)cn1 ZINC000071178122 176055754 /nfs/dbraw/zinc/05/57/54/176055754.db2.gz OZIIOVDTDIWDPT-SNVBAGLBSA-N 0 3 260.316 2.272 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)c1nc2ccc(N)cc2s1 ZINC000071188384 176063058 /nfs/dbraw/zinc/06/30/58/176063058.db2.gz DBHOTBAPTBGWAW-JTQLQIEISA-N 0 3 276.409 2.266 10 0 CEAEHN C[C@@H]1CCCN1Cc1ccc(F)cc1C(N)=S ZINC000071265856 176099378 /nfs/dbraw/zinc/09/93/78/176099378.db2.gz TZRROQKIKDSPHM-SECBINFHSA-N 0 3 252.358 2.444 10 0 CEAEHN CCCN(CCN(C)C)Cc1ccc(F)cc1C(N)=S ZINC000071266190 176100258 /nfs/dbraw/zinc/10/02/58/176100258.db2.gz CCVAGOMHAFKBOT-UHFFFAOYSA-N 0 3 297.443 2.234 10 0 CEAEHN COC[C@H](O)CNC(c1cccs1)c1cccs1 ZINC000071270917 176104191 /nfs/dbraw/zinc/10/41/91/176104191.db2.gz VMMKVFKHDXLGTD-SNVBAGLBSA-N 0 3 283.418 2.496 10 0 CEAEHN NCc1cc2ccccc2nc1OC[C@@H]1CCOC1 ZINC000071385931 176147559 /nfs/dbraw/zinc/14/75/59/176147559.db2.gz GGYAWIQSQLLUAL-LLVKDONJSA-N 0 3 258.321 2.109 10 0 CEAEHN CCNCc1cc(C)ccc1OCC(=O)N(C)C(C)C ZINC000071406131 176156019 /nfs/dbraw/zinc/15/60/19/176156019.db2.gz NIDXKGKVZNSJIL-UHFFFAOYSA-N 0 3 278.396 2.350 10 0 CEAEHN Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(CNC2CC2)c1 ZINC000071406974 176156317 /nfs/dbraw/zinc/15/63/17/176156317.db2.gz ZRJHDLNDBMQYNU-LBPRGKRZSA-N 0 3 276.380 2.103 10 0 CEAEHN COCCNCc1cc(C)ccc1OCC(F)F ZINC000071407598 176156428 /nfs/dbraw/zinc/15/64/28/176156428.db2.gz UKRDPOPEZKOQNQ-UHFFFAOYSA-N 0 3 259.296 2.375 10 0 CEAEHN C[C@]1(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)CCCCN1 ZINC000662664722 415924066 /nfs/dbraw/zinc/92/40/66/415924066.db2.gz GANPOMAKUFDNPF-UKTARXLSSA-N 0 3 250.386 2.071 10 0 CEAEHN COC[C@](C)(N)c1cc(Br)ccc1F ZINC000076352051 176996887 /nfs/dbraw/zinc/99/68/87/176996887.db2.gz AIHLYYNRFCUDOB-JTQLQIEISA-N 0 3 262.122 2.409 10 0 CEAEHN N[C@H](Cn1cccn1)c1cc(Br)cs1 ZINC000076413332 177020942 /nfs/dbraw/zinc/02/09/42/177020942.db2.gz NTSZAGUMAZMPAN-MRVPVSSYSA-N 0 3 272.171 2.407 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C/c1ccco1 ZINC000077729720 177296839 /nfs/dbraw/zinc/29/68/39/177296839.db2.gz XYCZGCDGISSSAX-SBDDDAINSA-N 0 3 264.369 2.385 10 0 CEAEHN Cc1cc(CN[C@@H](C)COCc2ccccc2)n(C)n1 ZINC000390586622 262223573 /nfs/dbraw/zinc/22/35/73/262223573.db2.gz NPLCBQGVGBIPLR-AWEZNQCLSA-N 0 3 273.380 2.423 10 0 CEAEHN C[C@@H](COCc1ccccc1)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000390728020 262247299 /nfs/dbraw/zinc/24/72/99/262247299.db2.gz SXJMFUVSIORVMF-YCPHGPKFSA-N 0 3 290.407 2.096 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000194343491 270297708 /nfs/dbraw/zinc/29/77/08/270297708.db2.gz JSTATUMQSZXILN-LBPRGKRZSA-N 0 3 295.358 2.440 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCc2ccccc2OC)C1 ZINC000194625966 270301662 /nfs/dbraw/zinc/30/16/62/270301662.db2.gz NWHXIQBDJKXKPH-HNNXBMFYSA-N 0 3 290.407 2.228 10 0 CEAEHN COc1cccc2c1CCC[C@@H]2N[C@H]1CCc2ncnn2C1 ZINC000194921797 270304742 /nfs/dbraw/zinc/30/47/42/270304742.db2.gz NEWRQXXGIROJJU-WFASDCNBSA-N 0 3 298.390 2.269 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396483225 270349734 /nfs/dbraw/zinc/34/97/34/270349734.db2.gz MXRJQVLRLUUPLC-DOTOQJQBSA-N 0 3 276.424 2.354 10 0 CEAEHN C[C@@H]1CCN[C@H](C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000253157956 274308977 /nfs/dbraw/zinc/30/89/77/274308977.db2.gz QMQFIGPDNLDNSU-UGFHNGPFSA-N 0 3 258.365 2.178 10 0 CEAEHN Cc1cnn(CCN[C@@H](C)C(=O)Nc2ccccc2C)c1 ZINC000105881038 274830198 /nfs/dbraw/zinc/83/01/98/274830198.db2.gz QPAJFSLCBBTBEG-AWEZNQCLSA-N 0 3 286.379 2.117 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1ncnn1C ZINC000178157550 275994519 /nfs/dbraw/zinc/99/45/19/275994519.db2.gz ZTIBYTZXVYZIGD-FRRDWIJNSA-N 0 3 250.390 2.366 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000190531260 276178157 /nfs/dbraw/zinc/17/81/57/276178157.db2.gz PQURSAGXENSTJO-LBPRGKRZSA-N 0 3 293.415 2.244 10 0 CEAEHN CN(C)C[C@H]1CN(c2ccc3ccccc3n2)CCO1 ZINC000264518711 276807653 /nfs/dbraw/zinc/80/76/53/276807653.db2.gz QDWJHVVTPAXUPH-AWEZNQCLSA-N 0 3 271.364 2.002 10 0 CEAEHN CCC[C@H](C(=O)N(C)CCc1ncc(C)s1)N(C)C ZINC000124342655 278917770 /nfs/dbraw/zinc/91/77/70/278917770.db2.gz OIKLLJLYXVEBKY-GFCCVEGCSA-N 0 3 283.441 2.183 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000175706917 279294672 /nfs/dbraw/zinc/29/46/72/279294672.db2.gz QQMZWWLUHGYOMV-GFCCVEGCSA-N 0 3 285.457 2.008 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC1(CC)CC1 ZINC000176601545 279324978 /nfs/dbraw/zinc/32/49/78/279324978.db2.gz VIIQYIVFPARJHT-ZDUSSCGKSA-N 0 3 267.417 2.302 10 0 CEAEHN CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(CC)cc1 ZINC000087955051 279488195 /nfs/dbraw/zinc/48/81/95/279488195.db2.gz CUDZOFIZBJJJNX-NEPJUHHUSA-N 0 3 291.395 2.134 10 0 CEAEHN CCOC[C@H](C)N[C@@H](CN(C)C)c1ccccc1 ZINC000128699513 279893801 /nfs/dbraw/zinc/89/38/01/279893801.db2.gz YJIJUUBJNHHFJB-ZFWWWQNUSA-N 0 3 250.386 2.304 10 0 CEAEHN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000249299838 280028046 /nfs/dbraw/zinc/02/80/46/280028046.db2.gz NUVIYVJGJUSBAX-XDQVBPFNSA-N 0 3 252.402 2.123 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000194683159 280192571 /nfs/dbraw/zinc/19/25/71/280192571.db2.gz RXSLCDKRMNABKG-UONOGXRCSA-N 0 3 299.459 2.172 10 0 CEAEHN Cc1ccc(OC[C@H](O)CN2CCS[C@@H](C)C2)cc1 ZINC000246151593 280276866 /nfs/dbraw/zinc/27/68/66/280276866.db2.gz PJFJYYSAUTVKNF-UONOGXRCSA-N 0 3 281.421 2.172 10 0 CEAEHN C(c1nc(C2CCCC2)no1)N1CCN2CCCC[C@H]2C1 ZINC000246841309 280311464 /nfs/dbraw/zinc/31/14/64/280311464.db2.gz VEFAOUTZGGWKNR-AWEZNQCLSA-N 0 3 290.411 2.397 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)C ZINC000249289283 280391571 /nfs/dbraw/zinc/39/15/71/280391571.db2.gz JWIAMBRXUCXQPZ-HZSPNIEDSA-N 0 3 252.402 2.221 10 0 CEAEHN Cc1nc(CC(C)C)c(C(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000151427440 289057511 /nfs/dbraw/zinc/05/75/11/289057511.db2.gz KJZGQLLWEZSOSF-GFCCVEGCSA-N 0 3 295.452 2.426 10 0 CEAEHN CO[C@@H]1C[C@@H](CO)N(CCCOc2ccc(Cl)cc2)C1 ZINC000312526636 289281233 /nfs/dbraw/zinc/28/12/33/289281233.db2.gz PFEOZZAPCWPSCZ-DZGCQCFKSA-N 0 3 299.798 2.191 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCc2cncn2C)c1C ZINC000401859237 289288982 /nfs/dbraw/zinc/28/89/82/289288982.db2.gz WYFYJXYVTNTRDZ-LLVKDONJSA-N 0 3 275.400 2.147 10 0 CEAEHN c1sc2ccccc2c1CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404075469 289291298 /nfs/dbraw/zinc/29/12/98/289291298.db2.gz QNSXLGFXQQUCRV-CABCVRRESA-N 0 3 288.416 2.464 10 0 CEAEHN COc1ccccc1[C@H](C)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000282290734 295399911 /nfs/dbraw/zinc/39/99/11/295399911.db2.gz LRJWBJJUAQPUOA-DMDPSCGWSA-N 0 3 262.353 2.013 10 0 CEAEHN CCC[C@H](C(=O)NCCCNc1ccccc1)N(C)C ZINC000162077128 297449565 /nfs/dbraw/zinc/44/95/65/297449565.db2.gz NTWIUKPFYLNBNQ-OAHLLOKOSA-N 0 3 277.412 2.335 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N(C)c2ccc(F)cc2)C1 ZINC000190618451 321784039 /nfs/dbraw/zinc/78/40/39/321784039.db2.gz IJMNSTNYNPDANO-CYBMUJFWSA-N 0 3 265.332 2.018 10 0 CEAEHN CC(C)NCc1occc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000052380445 519730085 /nfs/dbraw/zinc/73/00/85/519730085.db2.gz ZMIYKQJRECNBCZ-BETUJISGSA-N 0 3 266.385 2.387 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@H](CN2CCC(O)CC2)C1 ZINC000054558828 519801868 /nfs/dbraw/zinc/80/18/68/519801868.db2.gz XWVBRSCMCZDRCT-OLZOCXBDSA-N 0 3 253.386 2.085 10 0 CEAEHN CCCn1nccc1[C@@H](N)Cc1nc(C)cs1 ZINC000069472213 519891922 /nfs/dbraw/zinc/89/19/22/519891922.db2.gz OKUWPARXFLFULQ-JTQLQIEISA-N 0 3 250.371 2.301 10 0 CEAEHN CCCNCc1cc(CN(C)CCOC)c(C)o1 ZINC000052572951 519945496 /nfs/dbraw/zinc/94/54/96/519945496.db2.gz RHBZBDDKGLKSRX-UHFFFAOYSA-N 0 3 254.374 2.166 10 0 CEAEHN CCCNCc1cccnc1N1CCO[C@@H](CC)C1 ZINC000051444497 519956646 /nfs/dbraw/zinc/95/66/46/519956646.db2.gz SDXULKHGWJCDQU-AWEZNQCLSA-N 0 3 263.385 2.196 10 0 CEAEHN CCCNCc1occc1COC[C@H]1CCCO1 ZINC000052626002 519973211 /nfs/dbraw/zinc/97/32/11/519973211.db2.gz KPSWMTDPAXZBSD-CYBMUJFWSA-N 0 3 253.342 2.475 10 0 CEAEHN CCCN[C@H](C)[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000061702909 520063248 /nfs/dbraw/zinc/06/32/48/520063248.db2.gz BHIXTRWZTBIFJG-VXGBXAGGSA-N 0 3 255.383 2.237 10 0 CEAEHN CCCCCCOC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069195233 520100899 /nfs/dbraw/zinc/10/08/99/520100899.db2.gz SHTCQWNBBRDMGP-OAHLLOKOSA-N 0 3 270.417 2.215 10 0 CEAEHN CCN[C@@H](Cc1ccc(OC)cc1)c1nccn1C ZINC000069473622 520103827 /nfs/dbraw/zinc/10/38/27/520103827.db2.gz WAVJDFKUFUAUPM-AWEZNQCLSA-N 0 3 259.353 2.322 10 0 CEAEHN CCC[NH2+][C@](C)(C[C@@H](C)N(CC1CC1)C1CC1)C(=O)[O-] ZINC000068648335 520112675 /nfs/dbraw/zinc/11/26/75/520112675.db2.gz ZXEIXMHJUOVVOB-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCN[C@](C)(C[C@@H](C)[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648335 520112686 /nfs/dbraw/zinc/11/26/86/520112686.db2.gz ZXEIXMHJUOVVOB-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCN[C@](C)(C[C@@H](C)[N@@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648335 520112693 /nfs/dbraw/zinc/11/26/93/520112693.db2.gz ZXEIXMHJUOVVOB-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN CCN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000061626943 520216309 /nfs/dbraw/zinc/21/63/09/520216309.db2.gz MSRQRHIORVGIPD-LBPRGKRZSA-N 0 3 286.297 2.416 10 0 CEAEHN CCNc1ccc(CN(C)[C@H]2CCSC2)cn1 ZINC000050813305 520299906 /nfs/dbraw/zinc/29/99/06/520299906.db2.gz SJKXGQXRBBUYMF-LBPRGKRZSA-N 0 3 251.399 2.451 10 0 CEAEHN CCN(CC1CC1)[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000069236858 520967656 /nfs/dbraw/zinc/96/76/56/520967656.db2.gz ZSIXXLDLAYVKIC-LLVKDONJSA-N 0 3 261.369 2.328 10 0 CEAEHN CCN(CCOC)Cc1ccoc1CNC(C)C ZINC000052542693 521135419 /nfs/dbraw/zinc/13/54/19/521135419.db2.gz WXGJFTGEJMBDOM-UHFFFAOYSA-N 0 3 254.374 2.246 10 0 CEAEHN CCN(CCOC)Cc1csc(CNC(C)(C)C)n1 ZINC000052542604 521137322 /nfs/dbraw/zinc/13/73/22/521137322.db2.gz YVIIAUPTNIOCET-UHFFFAOYSA-N 0 3 285.457 2.500 10 0 CEAEHN CCN(c1nc(C)c(CNCCOC)s1)C1CC1 ZINC000054996879 521503193 /nfs/dbraw/zinc/50/31/93/521503193.db2.gz OVDICACRUPMPTO-UHFFFAOYSA-N 0 3 269.414 2.176 10 0 CEAEHN CCN1CCC(O)(c2cc(OC)ccc2OC)CC1 ZINC000055234370 521583599 /nfs/dbraw/zinc/58/35/99/521583599.db2.gz DUKLHCQGWJFRDG-UHFFFAOYSA-N 0 3 265.353 2.007 10 0 CEAEHN CNCc1c(C)nc(-c2ccc(OC)cc2)nc1C ZINC000054854058 522100059 /nfs/dbraw/zinc/10/00/59/522100059.db2.gz PPANMKLUSZOWGE-UHFFFAOYSA-N 0 3 257.337 2.488 10 0 CEAEHN CC[C@@H](C)N1CCN(CC[C@H](O)C(C)(C)C)CC1 ZINC000055073086 522121611 /nfs/dbraw/zinc/12/16/11/522121611.db2.gz KWFZEEAUCPMCSQ-KGLIPLIRSA-N 0 3 256.434 2.200 10 0 CEAEHN CCc1nc(N(CC)[C@@H](C)COC)sc1CN ZINC000054998667 522380346 /nfs/dbraw/zinc/38/03/46/522380346.db2.gz USZCEJZOZGGGKS-VIFPVBQESA-N 0 3 257.403 2.025 10 0 CEAEHN CN[C@@](CSc1ccc(C)cc1C)(C(N)=O)C1CC1 ZINC000069186647 522432713 /nfs/dbraw/zinc/43/27/13/522432713.db2.gz NZFMLNAPENEEJW-OAHLLOKOSA-N 0 3 278.421 2.249 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OC[C@H](O)C(F)(F)F ZINC000068877973 522446507 /nfs/dbraw/zinc/44/65/07/522446507.db2.gz FISPPVBKMPFHDI-HQJQHLMTSA-N 0 3 281.249 2.408 10 0 CEAEHN CC(=O)NC1CCC(N[C@H]2COc3ccccc32)CC1 ZINC000155240742 517356432 /nfs/dbraw/zinc/35/64/32/517356432.db2.gz YJZPWHORWUIWJA-PIMMBPRGSA-N 0 3 274.364 2.157 10 0 CEAEHN CC(C)NCc1ccc(O[C@@H](C)C(=O)NC(C)(C)C)cn1 ZINC000094210666 517447316 /nfs/dbraw/zinc/44/73/16/517447316.db2.gz GTPBOHVZOOZABL-LBPRGKRZSA-N 0 3 293.411 2.262 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(F)c(N)c1 ZINC000049550958 519336976 /nfs/dbraw/zinc/33/69/76/519336976.db2.gz BVHDYKAQIGICMM-GFCCVEGCSA-N 0 3 281.375 2.114 10 0 CEAEHN CC(C)CCNC(=O)[C@@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555868 519658773 /nfs/dbraw/zinc/65/87/73/519658773.db2.gz VINVOPJPYFQBRQ-CABCVRRESA-N 0 3 285.476 2.103 10 0 CEAEHN CC(C)N[C@H](CCOc1ccc2c(c1)CCCC2)C(N)=O ZINC000062542256 519738493 /nfs/dbraw/zinc/73/84/93/519738493.db2.gz LRTZLARWULOJGT-MRXNPFEDSA-N 0 3 290.407 2.186 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC1=NC(C)(C)CS1 ZINC000049559159 519775752 /nfs/dbraw/zinc/77/57/52/519775752.db2.gz OHRKOZPRFFOGGE-NSHDSACASA-N 0 3 257.447 2.434 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NCC(=O)Nc1ccc(F)cc1 ZINC000049555992 519775780 /nfs/dbraw/zinc/77/57/80/519775780.db2.gz ZNCJYKPJYUXPGU-HNNXBMFYSA-N 0 3 295.402 2.330 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1cccc2c1CCCN2 ZINC000061412303 519793491 /nfs/dbraw/zinc/79/34/91/519793491.db2.gz GHSYIRXONMAFMI-MRXNPFEDSA-N 0 3 289.423 2.361 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@@H](CN2CCC[C@H](O)C2)C1 ZINC000054559271 519801802 /nfs/dbraw/zinc/80/18/02/519801802.db2.gz ICPMCSDEJCFYAD-MCIONIFRSA-N 0 3 253.386 2.085 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000061298912 519906435 /nfs/dbraw/zinc/90/64/35/519906435.db2.gz GHUBSYVRPJZRBL-UHFFFAOYSA-N 0 3 278.352 2.190 10 0 CEAEHN CCCNCc1c(C)nn(C)c1N(CC)CC1CC1 ZINC000069238733 519942138 /nfs/dbraw/zinc/94/21/38/519942138.db2.gz LKKASXOGOFKYPQ-UHFFFAOYSA-N 0 3 264.417 2.464 10 0 CEAEHN CCCN[C@@H](CN1CCN(C)C1=O)c1ccc(C)cc1 ZINC000052885565 520008312 /nfs/dbraw/zinc/00/83/12/520008312.db2.gz SFNDDIBDEDUQNO-HNNXBMFYSA-N 0 3 275.396 2.403 10 0 CEAEHN CCNCc1ccnc(-c2ccc(OC)c(OC)c2)n1 ZINC000054791361 520010937 /nfs/dbraw/zinc/01/09/37/520010937.db2.gz NMYRGOQMUNKBJZ-UHFFFAOYSA-N 0 3 273.336 2.270 10 0 CEAEHN CCNCc1cccnc1N1CCC(OCC)CC1 ZINC000051448146 520011287 /nfs/dbraw/zinc/01/12/87/520011287.db2.gz ODUSYXAJEGVIHV-UHFFFAOYSA-N 0 3 263.385 2.196 10 0 CEAEHN CCCN[C@@H]1COc2cc(O[C@@H](C)C(=O)OC)ccc21 ZINC000062805015 520026232 /nfs/dbraw/zinc/02/62/32/520026232.db2.gz XTOLWBQCCVQZNN-GXFFZTMASA-N 0 3 279.336 2.060 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCc3noc(C)n3)ccc21 ZINC000062805055 520026729 /nfs/dbraw/zinc/02/67/29/520026729.db2.gz RWNYMGOHLJKSIQ-CYBMUJFWSA-N 0 3 289.335 2.390 10 0 CEAEHN CCCN[C@@](C)(CO[C@@H]1CCCC[C@@H]1CC)C(N)=O ZINC000045475353 520038921 /nfs/dbraw/zinc/03/89/21/520038921.db2.gz KKYKSYNDODEHSQ-GUTXKFCHSA-N 0 3 270.417 2.215 10 0 CEAEHN CCCN[C@@](C)(CN1CCC(CCC)CC1)C(=O)OC ZINC000050905662 520039553 /nfs/dbraw/zinc/03/95/53/520039553.db2.gz KIYRCMZOZAVTAT-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCOCCOc1ccc(CNCCOC)cc1Cl ZINC000062730497 520040589 /nfs/dbraw/zinc/04/05/89/520040589.db2.gz PUGHXBQEINHKFG-UHFFFAOYSA-N 0 3 287.787 2.491 10 0 CEAEHN CCN[C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052295393 520078345 /nfs/dbraw/zinc/07/83/45/520078345.db2.gz FPHXZCGCUNFKIZ-COPLHBTASA-N 0 3 282.409 2.044 10 0 CEAEHN CCCN[C@H](CS(C)(=O)=O)c1ccc(C)cc1 ZINC000052789196 520084668 /nfs/dbraw/zinc/08/46/68/520084668.db2.gz OTOMXHJWCKCVJM-CYBMUJFWSA-N 0 3 255.383 2.080 10 0 CEAEHN CCCN[C@H](CS(C)(=O)=O)c1cncc2ccccc21 ZINC000069270546 520084723 /nfs/dbraw/zinc/08/47/23/520084723.db2.gz JZJBMTQFKUMFTF-OAHLLOKOSA-N 0 3 292.404 2.320 10 0 CEAEHN CCN[C@@H](CCN1CCC(C)(C)CC1)C(=O)OCC ZINC000062532945 520087741 /nfs/dbraw/zinc/08/77/41/520087741.db2.gz UTGCXMMGBNXIFC-ZDUSSCGKSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@H](Cn1ncccc1=O)c1cc2ccccc2o1 ZINC000061402146 520108380 /nfs/dbraw/zinc/10/83/80/520108380.db2.gz CLNXQHVETXYDQC-ZDUSSCGKSA-N 0 3 283.331 2.340 10 0 CEAEHN CCN[C@@H](c1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052201596 520114956 /nfs/dbraw/zinc/11/49/56/520114956.db2.gz OKESJWSZHUVVLF-UKRRQHHQSA-N 0 3 281.421 2.334 10 0 CEAEHN CCCN[C@](CN(C)c1ccccc1C)(C(N)=O)C1CC1 ZINC000069231349 520120332 /nfs/dbraw/zinc/12/03/32/520120332.db2.gz XCSFAZBBDGNYGL-KRWDZBQOSA-N 0 3 289.423 2.065 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1ccc(C)cc1OC)C(N)=O ZINC000068657123 520147884 /nfs/dbraw/zinc/14/78/84/520147884.db2.gz UMZZEHJUVXKWTE-LRDDRELGSA-N 0 3 294.395 2.015 10 0 CEAEHN CCCNc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000050779360 520150254 /nfs/dbraw/zinc/15/02/54/520150254.db2.gz FHRKKMQIICTLSM-HNNXBMFYSA-N 0 3 287.407 2.475 10 0 CEAEHN CCN[C@@](CN1CCC(CC)CC1)(C(=O)OC)C1CC1 ZINC000069183826 520151410 /nfs/dbraw/zinc/15/14/10/520151410.db2.gz FSIBORXQXIZJAA-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN[C@H](Cn1ncccc1=O)c1ccc(C)c(C)c1 ZINC000061402142 520205405 /nfs/dbraw/zinc/20/54/05/520205405.db2.gz AEZDSLSSXZEXPZ-OAHLLOKOSA-N 0 3 271.364 2.211 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1ccccc1CC)C(N)=O ZINC000068657448 520238150 /nfs/dbraw/zinc/23/81/50/520238150.db2.gz UYTWDOWKSQYSEL-MLGOLLRUSA-N 0 3 278.396 2.260 10 0 CEAEHN CCN[C@](COc1ccccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197803 520251703 /nfs/dbraw/zinc/25/17/03/520251703.db2.gz ANAYFSFXTIWOKD-KRWDZBQOSA-N 0 3 290.407 2.432 10 0 CEAEHN CCNc1ccc(C(=O)N[C@@H](CN(C)C)C(C)C)cc1 ZINC000050779755 520291554 /nfs/dbraw/zinc/29/15/54/520291554.db2.gz VILMQXHYOPDPCQ-HNNXBMFYSA-N 0 3 277.412 2.434 10 0 CEAEHN CCNc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cn1 ZINC000050791191 520291662 /nfs/dbraw/zinc/29/16/62/520291662.db2.gz RFLYXCOYXJALBR-ZDUSSCGKSA-N 0 3 290.411 2.118 10 0 CEAEHN CCCCC[C@H](C)NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631381 520309670 /nfs/dbraw/zinc/30/96/70/520309670.db2.gz UYVATGCBLMEKBJ-STQMWFEESA-N 0 3 276.446 2.017 10 0 CEAEHN CCNc1ncccc1CN1CCN([C@@H](C)CC)CC1 ZINC000055071215 520378938 /nfs/dbraw/zinc/37/89/38/520378938.db2.gz ALCOUXGEDHEMQE-AWEZNQCLSA-N 0 3 276.428 2.430 10 0 CEAEHN CCCOc1ccc([C@@H](NC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000052919597 520418042 /nfs/dbraw/zinc/41/80/42/520418042.db2.gz DLUWRVISFMTRIA-DZGCQCFKSA-N 0 3 297.420 2.171 10 0 CEAEHN CCO[C@@H]1C[C@](N)(C(=O)N(CC2CC2)CC2CC2)C1(C)C ZINC000157296043 520452599 /nfs/dbraw/zinc/45/25/99/520452599.db2.gz XECBGEAHZMOPBA-PBHICJAKSA-N 0 3 294.439 2.168 10 0 CEAEHN CC1(C)COCCN1c1cc(Cl)ccc1CN ZINC000062786901 520507476 /nfs/dbraw/zinc/50/74/76/520507476.db2.gz CSURAZVRMVXIQQ-UHFFFAOYSA-N 0 3 254.761 2.414 10 0 CEAEHN CCCCN(CC[C@@H]([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000062459254 520539407 /nfs/dbraw/zinc/53/94/07/520539407.db2.gz HEVYJAKDVUZLIZ-CYBMUJFWSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCC[N@H+](CC[C@@H](NC(C)C)C(=O)[O-])C1CC1 ZINC000062459254 520539419 /nfs/dbraw/zinc/53/94/19/520539419.db2.gz HEVYJAKDVUZLIZ-CYBMUJFWSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCC[N@@H+](CC[C@@H](NC(C)C)C(=O)[O-])C1CC1 ZINC000062459254 520539430 /nfs/dbraw/zinc/53/94/30/520539430.db2.gz HEVYJAKDVUZLIZ-CYBMUJFWSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCCNC(=O)[C@@H](C)N[C@@H]1CCc2ccccc2C1 ZINC000052396223 520650743 /nfs/dbraw/zinc/65/07/43/520650743.db2.gz VVLOFFZYZLJKPK-CZUORRHYSA-N 0 3 274.408 2.438 10 0 CEAEHN CCOc1cc(C)ccc1NC(=O)C(C)(C)NC ZINC000061316727 520681241 /nfs/dbraw/zinc/68/12/41/520681241.db2.gz RODLUCOXYAUSED-UHFFFAOYSA-N 0 3 250.342 2.330 10 0 CEAEHN CCOC(=O)[C@@](N)(CN(CC)CC1CC1)c1ccccc1 ZINC000069239521 521171394 /nfs/dbraw/zinc/17/13/94/521171394.db2.gz FZGXOLTYDOKPTF-QGZVFWFLSA-N 0 3 290.407 2.136 10 0 CEAEHN CCC[C@H](N[C@H](C)C(=O)NC(=O)NC)c1cccs1 ZINC000049544525 521172238 /nfs/dbraw/zinc/17/22/38/521172238.db2.gz DGNXTUHJYJXUBS-ZJUUUORDSA-N 0 3 283.397 2.023 10 0 CEAEHN CCC[C@H](O)[C@@H](CC)N1CCN(CC(C)C)CC1 ZINC000055080866 521191683 /nfs/dbraw/zinc/19/16/83/521191683.db2.gz HCSXQONIZHWORH-CABCVRRESA-N 0 3 256.434 2.200 10 0 CEAEHN CCC(C)(C)N(C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000069446699 521305646 /nfs/dbraw/zinc/30/56/46/521305646.db2.gz BNFFKBOHNZNWHA-QGZVFWFLSA-N 0 3 292.423 2.395 10 0 CEAEHN CCOC(=O)[C@](CN1CCC(CC)CC1)(NC)C1CC1 ZINC000069183857 521341293 /nfs/dbraw/zinc/34/12/93/521341293.db2.gz ZZBAIJDNTJFLPJ-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)Oc1ccc2c(c1)OC[C@@H]2N ZINC000062803856 521341843 /nfs/dbraw/zinc/34/18/43/521341843.db2.gz HCLIVKIOZHKUGR-GWCFXTLKSA-N 0 3 292.379 2.151 10 0 CEAEHN CCC(C)(C)[C@@H]1CCc2[nH]nc(N3CCNCC3)c2C1 ZINC000062670038 521360697 /nfs/dbraw/zinc/36/06/97/521360697.db2.gz QVSCGSWGHKLNMV-GFCCVEGCSA-N 0 3 276.428 2.360 10 0 CEAEHN CCN1CCC[C@@H](Nc2cc3c(cc2N)CCC(=O)N3)C1 ZINC000049193247 521625904 /nfs/dbraw/zinc/62/59/04/521625904.db2.gz ZSRROOVTAAUGED-GFCCVEGCSA-N 0 3 288.395 2.050 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)c2cccnc2)C1 ZINC000068587662 521644964 /nfs/dbraw/zinc/64/49/64/521644964.db2.gz DVTIPZMGDJBIAY-ZFWWWQNUSA-N 0 3 290.411 2.268 10 0 CEAEHN CCCN(C[C@](NC(C)C)(C(=O)OC)C1CC1)C1CC1 ZINC000069098241 521677826 /nfs/dbraw/zinc/67/78/26/521677826.db2.gz AIWKFOUZJCLIJJ-MRXNPFEDSA-N 0 3 282.428 2.181 10 0 CEAEHN CCNC(=O)CCN1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000157035363 521735586 /nfs/dbraw/zinc/73/55/86/521735586.db2.gz SNNJNXMOGBOOAH-GFCCVEGCSA-N 0 3 295.452 2.411 10 0 CEAEHN CCNC(=O)COc1c(CNC(C)(C)C)cccc1OC ZINC000062732196 521738333 /nfs/dbraw/zinc/73/83/33/521738333.db2.gz IPBQMSJGJAJWMC-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN CN(C)CCn1c2ccc(N)cc2nc1C(F)(F)F ZINC000052842606 521816511 /nfs/dbraw/zinc/81/65/11/521816511.db2.gz TWUBGOFGDQLMHU-UHFFFAOYSA-N 0 3 272.274 2.199 10 0 CEAEHN CCc1ccccc1CN[C@@H](CC(C)C)C(=O)NC ZINC000052202735 521843842 /nfs/dbraw/zinc/84/38/42/521843842.db2.gz DRKOOYLEOHTTNL-HNNXBMFYSA-N 0 3 262.397 2.499 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000061316687 521939844 /nfs/dbraw/zinc/93/98/44/521939844.db2.gz CEKUGRPVNOVARB-UHFFFAOYSA-N 0 3 292.770 2.462 10 0 CEAEHN CC[C@H](C)[C@H](C)N[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000049093493 521941674 /nfs/dbraw/zinc/94/16/74/521941674.db2.gz CBENDXXPVHJBDA-SGMGOOAPSA-N 0 3 274.364 2.343 10 0 CEAEHN C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000070191831 522018837 /nfs/dbraw/zinc/01/88/37/522018837.db2.gz NJJJXUDDQJHSLN-GFCCVEGCSA-N 0 3 292.379 2.005 10 0 CEAEHN COC(=O)c1ccc(CN[C@H](C)[C@H]2CCCO2)s1 ZINC000183177523 522036852 /nfs/dbraw/zinc/03/68/52/522036852.db2.gz ILXHJUKBSVQNLC-MWLCHTKSSA-N 0 3 269.366 2.192 10 0 CEAEHN CNCc1c(C)nc(Cc2cccc(OC)c2)nc1C ZINC000054854071 522099455 /nfs/dbraw/zinc/09/94/55/522099455.db2.gz PHEAMTMZYGVCOP-UHFFFAOYSA-N 0 3 271.364 2.412 10 0 CEAEHN CNCc1cc(CN(C)CC(F)(F)F)c(C)o1 ZINC000052483405 522104008 /nfs/dbraw/zinc/10/40/08/522104008.db2.gz LKYDODJOAGIJEW-UHFFFAOYSA-N 0 3 250.264 2.302 10 0 CEAEHN CNCc1cc(CN2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC000052482299 522109092 /nfs/dbraw/zinc/10/90/92/522109092.db2.gz WCHYMIISLYDMRI-CHWSQXEVSA-N 0 3 263.385 2.406 10 0 CEAEHN CNCc1cc(Cn2nnc3ccccc32)c(C)o1 ZINC000052576721 522112689 /nfs/dbraw/zinc/11/26/89/522112689.db2.gz VZIVJYSZYGJBIK-UHFFFAOYSA-N 0 3 256.309 2.100 10 0 CEAEHN CC[C@@H](C)N1CCN(c2nc(C)c([C@@H](C)N)s2)CC1 ZINC000055076283 522137514 /nfs/dbraw/zinc/13/75/14/522137514.db2.gz MBDSPEZIRRLFMA-GHMZBOCLSA-N 0 3 282.457 2.392 10 0 CEAEHN COC(=O)c1cccc(CN2CCC[C@H]2CCCO)c1 ZINC000052761865 522210750 /nfs/dbraw/zinc/21/07/50/522210750.db2.gz RRGWONOBWKDLRW-HNNXBMFYSA-N 0 3 277.364 2.210 10 0 CEAEHN CN[C@@H](CCOc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000062542652 522347220 /nfs/dbraw/zinc/34/72/20/522347220.db2.gz JCBDQNSIDCYJDR-INIZCTEOSA-N 0 3 284.359 2.196 10 0 CEAEHN CN[C@@](C)(CCCCN1Cc2ccccc2C1)C(=O)OC ZINC000050912344 522405380 /nfs/dbraw/zinc/40/53/80/522405380.db2.gz UXJOUFXNHMCFPB-KRWDZBQOSA-N 0 3 290.407 2.324 10 0 CEAEHN CN[C@@](C)(C[C@H](C)Oc1ccccc1C(C)C)C(N)=O ZINC000068657021 522421937 /nfs/dbraw/zinc/42/19/37/522421937.db2.gz TZQAOGZTKMXDLX-LRDDRELGSA-N 0 3 278.396 2.431 10 0 CEAEHN CN[C@@](COc1ccc(C(C)(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197222 522430175 /nfs/dbraw/zinc/43/01/75/522430175.db2.gz JSRHTLLOUWSNDB-QGZVFWFLSA-N 0 3 290.407 2.216 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCC(=O)OC(C)C ZINC000062746036 522447970 /nfs/dbraw/zinc/44/79/70/522447970.db2.gz XUDDZSLTCYIFFG-SNVBAGLBSA-N 0 3 269.316 2.437 10 0 CEAEHN CN[C@H](C)c1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068876439 522451910 /nfs/dbraw/zinc/45/19/10/522451910.db2.gz NXBCEJVTUFTEHB-LDYMZIIASA-N 0 3 263.259 2.269 10 0 CEAEHN CN[C@H](Cc1nc(C)cs1)c1cncc(F)c1 ZINC000055268295 522475053 /nfs/dbraw/zinc/47/50/53/522475053.db2.gz KWIWPZJWPVXGTJ-LLVKDONJSA-N 0 3 251.330 2.489 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CC(=O)N2C)[C@H]1CCCCO1 ZINC000050961629 522483535 /nfs/dbraw/zinc/48/35/35/522483535.db2.gz OAQDEJYYJKIYQY-GDBMZVCRSA-N 0 3 274.364 2.035 10 0 CEAEHN COc1cc(CN[C@H]2C[C@H]2C)cc(OC)c1OC ZINC000052269318 522489303 /nfs/dbraw/zinc/48/93/03/522489303.db2.gz XFPVHDBEATUEKC-KOLCDFICSA-N 0 3 251.326 2.210 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000053003985 522604233 /nfs/dbraw/zinc/60/42/33/522604233.db2.gz ZOLZSNFYXOFKKU-GFCCVEGCSA-N 0 3 273.380 2.003 10 0 CEAEHN COc1cc(F)ccc1NC(=O)[C@@H](N)CC(C)C ZINC000049569940 522607897 /nfs/dbraw/zinc/60/78/97/522607897.db2.gz JZAWEPXDJZPDMZ-JTQLQIEISA-N 0 3 254.305 2.146 10 0 CEAEHN CNc1nc2ccccc2cc1CN1CCC[C@H]1CO ZINC000050816581 522691315 /nfs/dbraw/zinc/69/13/15/522691315.db2.gz LSFDAOWHHHIDJG-AWEZNQCLSA-N 0 3 271.364 2.233 10 0 CEAEHN CC[C@H](O)CN1CCN(CCCc2cccc(F)c2)CC1 ZINC000182814096 522813918 /nfs/dbraw/zinc/81/39/18/522813918.db2.gz NVBASRIKAJYZEB-KRWDZBQOSA-N 0 3 294.414 2.147 10 0 CEAEHN CC[C@@H](NCc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000061677397 522872256 /nfs/dbraw/zinc/87/22/56/522872256.db2.gz VHUAICDEPHPFLO-SNVBAGLBSA-N 0 3 260.259 2.059 10 0 CEAEHN COC(=O)CCCNCc1cc(F)c(F)c(F)c1 ZINC000062707746 523032129 /nfs/dbraw/zinc/03/21/29/523032129.db2.gz AGKBUXBPWUTWCM-UHFFFAOYSA-N 0 3 261.243 2.147 10 0 CEAEHN CC[C@@H](Oc1c(Cl)cc(Cl)cc1CNC)C(N)=O ZINC000061675943 523036210 /nfs/dbraw/zinc/03/62/10/523036210.db2.gz UBJGZHJWFOGYRT-SNVBAGLBSA-N 0 3 291.178 2.356 10 0 CEAEHN CN(C[C@@H]1CCCO1)[C@@H](CN)c1ccc2ncccc2c1 ZINC000069502616 523054740 /nfs/dbraw/zinc/05/47/40/523054740.db2.gz DRMOCZKAVYJBBC-RDJZCZTQSA-N 0 3 285.391 2.345 10 0 CEAEHN COc1ccc(-c2nc(C)c(CN)c(C)n2)cc1OC ZINC000054836870 523194311 /nfs/dbraw/zinc/19/43/11/523194311.db2.gz RCKOAHYQWHAPRW-UHFFFAOYSA-N 0 3 273.336 2.236 10 0 CEAEHN CN(Cc1ccc(F)cc1)Cc1ccnc(CN)c1 ZINC000068749602 523252483 /nfs/dbraw/zinc/25/24/83/523252483.db2.gz PXFJQNHAINMMOY-UHFFFAOYSA-N 0 3 259.328 2.311 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2cc3ccccc3o2)CCN1C ZINC000068812063 523301486 /nfs/dbraw/zinc/30/14/86/523301486.db2.gz UGVDLAULGDDLHI-GJZGRUSLSA-N 0 3 287.407 2.459 10 0 CEAEHN CC[C@H]1CN(c2cccc(Br)n2)CCN1C ZINC000069018586 523306605 /nfs/dbraw/zinc/30/66/05/523306605.db2.gz WEDMQZCEYBITJL-JTQLQIEISA-N 0 3 284.201 2.375 10 0 CEAEHN CN(Cc1cccnc1C(=N)N)c1ccccc1F ZINC000061658367 523421211 /nfs/dbraw/zinc/42/12/11/523421211.db2.gz WKYOITPCXCORFM-UHFFFAOYSA-N 0 3 258.300 2.141 10 0 CEAEHN CC[C@@H]1CN(c2ccc(F)cc2CNCCOC)CCO1 ZINC000062735905 523470502 /nfs/dbraw/zinc/47/05/02/523470502.db2.gz JDDABLDJBLWQTL-OAHLLOKOSA-N 0 3 296.386 2.177 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1nc2sccn2c1CNC ZINC000048916133 523510619 /nfs/dbraw/zinc/51/06/19/523510619.db2.gz OJGMTLPDAMEPMX-WDEREUQCSA-N 0 3 294.424 2.119 10 0 CEAEHN CN(Cc1cnn(C)c1)[C@H](CN)c1cc2ccccc2o1 ZINC000068811505 523518451 /nfs/dbraw/zinc/51/84/51/523518451.db2.gz ILFWQPZRWWPRCQ-CQSZACIVSA-N 0 3 284.363 2.298 10 0 CEAEHN COCCN(C)[C@@H](CN)c1csc2ccccc12 ZINC000054464313 523634695 /nfs/dbraw/zinc/63/46/95/523634695.db2.gz XPQCEEBSVCLTGO-ZDUSSCGKSA-N 0 3 264.394 2.479 10 0 CEAEHN COCCN(c1ccc(Cl)cc1CN)C1CC1 ZINC000052857219 523784071 /nfs/dbraw/zinc/78/40/71/523784071.db2.gz ARCQAHOPDOWBDQ-UHFFFAOYSA-N 0 3 254.761 2.414 10 0 CEAEHN CCc1cc(N[C@H](CC(C)C)CN(C)C)ncn1 ZINC000049558092 523825498 /nfs/dbraw/zinc/82/54/98/523825498.db2.gz HDILZUXIJLUQPD-CYBMUJFWSA-N 0 3 250.390 2.427 10 0 CEAEHN COC(=O)[C@H](NCCN(C)C)c1csc2ccccc21 ZINC000054465346 523925505 /nfs/dbraw/zinc/92/55/05/523925505.db2.gz JKDOODWUYOZOCI-CQSZACIVSA-N 0 3 292.404 2.267 10 0 CEAEHN COCCNC[C@@](C)(O)c1ccc2cc(OC)ccc2c1 ZINC000055033634 523942846 /nfs/dbraw/zinc/94/28/46/523942846.db2.gz CYGXUKJCKGICRF-QGZVFWFLSA-N 0 3 289.375 2.292 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@@H](N[C@@H]2CCC[C@@H](CC)C2)C1=O ZINC000068592345 523946270 /nfs/dbraw/zinc/94/62/70/523946270.db2.gz GXMOZMQAZMDAIP-REWJHTLYSA-N 0 3 280.412 2.471 10 0 CEAEHN COCCNCc1cc(OC)c(OCC(C)C)c(OC)c1 ZINC000062732847 523949857 /nfs/dbraw/zinc/94/98/57/523949857.db2.gz JOQBQVYELBCRLB-UHFFFAOYSA-N 0 3 297.395 2.475 10 0 CEAEHN COCCNCc1ccc(-n2cc(C)cn2)c(C)c1 ZINC000062738656 523952063 /nfs/dbraw/zinc/95/20/63/523952063.db2.gz SCFTYBWDTHTWND-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN COCCNCc1ccc(OC)cc1OCCOC(C)C ZINC000062733348 523952849 /nfs/dbraw/zinc/95/28/49/523952849.db2.gz ZGHIEFIZIYLACZ-UHFFFAOYSA-N 0 3 297.395 2.235 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055069442 523958004 /nfs/dbraw/zinc/95/80/04/523958004.db2.gz GVBZXMDHCPJUBA-QGTPRVQTSA-N 0 3 288.435 2.451 10 0 CEAEHN COCCNCc1sc(N2CCC[C@H]2C)nc1C ZINC000054968901 523958635 /nfs/dbraw/zinc/95/86/35/523958635.db2.gz HXWODCQNHMAMMB-SNVBAGLBSA-N 0 3 269.414 2.176 10 0 CEAEHN CCc1ccc(N(C)S(=O)(=O)CCNC(C)C)cc1 ZINC000049974543 523959879 /nfs/dbraw/zinc/95/98/79/523959879.db2.gz RHCSIQQKJRGNJB-UHFFFAOYSA-N 0 3 284.425 2.013 10 0 CEAEHN CCc1ccc(OC[C@](NC2CC2)(C(N)=O)C2CC2)cc1 ZINC000069197148 524006916 /nfs/dbraw/zinc/00/69/16/524006916.db2.gz XZMMZIRIMXGVMS-QGZVFWFLSA-N 0 3 288.391 2.014 10 0 CEAEHN CCc1ccc(O[C@H](C)C[C@](C)(NC2CC2)C(N)=O)cc1 ZINC000068655631 524008034 /nfs/dbraw/zinc/00/80/34/524008034.db2.gz DCOQTBOUVOICJX-PXAZEXFGSA-N 0 3 290.407 2.402 10 0 CEAEHN COc1ccc(CNC(C)(C)C)c(OC[C@@H](C)C(N)=O)c1 ZINC000062733110 524068986 /nfs/dbraw/zinc/06/89/86/524068986.db2.gz OWXBRZDXXHSOTL-LLVKDONJSA-N 0 3 294.395 2.084 10 0 CEAEHN COc1ccc(CN[C@H]2C[C@H]2C)c(OC)c1OC ZINC000052269475 524093317 /nfs/dbraw/zinc/09/33/17/524093317.db2.gz GPOLHSYXBHZSRR-KOLCDFICSA-N 0 3 251.326 2.210 10 0 CEAEHN COc1ccc(Cc2ncc([C@@H](C)N)c(C)n2)cc1OC ZINC000054962528 524166139 /nfs/dbraw/zinc/16/61/39/524166139.db2.gz ZQWLJJHCUHHZOM-SNVBAGLBSA-N 0 3 287.363 2.413 10 0 CEAEHN Cc1cccc(C)c1OC[C@](NC1CC1)(C(N)=O)C1CC1 ZINC000069196924 524321381 /nfs/dbraw/zinc/32/13/81/524321381.db2.gz CXACUHJXJDHGLF-QGZVFWFLSA-N 0 3 288.391 2.068 10 0 CEAEHN C[C@H](CN1CCCCC1)NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670564 524331147 /nfs/dbraw/zinc/33/11/47/524331147.db2.gz CKVXEDAGIBTWGG-GFCCVEGCSA-N 0 3 286.379 2.167 10 0 CEAEHN COc1ccccc1NC(=O)CNC[C@@H](C)CSC ZINC000069448178 524594905 /nfs/dbraw/zinc/59/49/05/524594905.db2.gz WTVZUBPZZSDILT-LLVKDONJSA-N 0 3 282.409 2.222 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2NCCC[C@@H]2C)c(OC)c1 ZINC000051790974 524601562 /nfs/dbraw/zinc/60/15/62/524601562.db2.gz KYXUPYKZWFKSRO-IINYFYTJSA-N 0 3 278.352 2.030 10 0 CEAEHN C[C@@H](CN1CCCCC1)NCC(=O)Nc1cccc(F)c1 ZINC000049501831 524605546 /nfs/dbraw/zinc/60/55/46/524605546.db2.gz XETDVIMWWCRCCZ-ZDUSSCGKSA-N 0 3 293.386 2.228 10 0 CEAEHN C[C@H](C[C@](C)(N)C(N)=O)Oc1ccccc1C(F)(F)F ZINC000068654749 524654675 /nfs/dbraw/zinc/65/46/75/524654675.db2.gz SXWJNCMXLVEJDF-PELKAZGASA-N 0 3 290.285 2.066 10 0 CEAEHN Cc1ccc(Cl)cc1NS(=O)(=O)[C@H]1CCCNC1 ZINC000049631630 524757409 /nfs/dbraw/zinc/75/74/09/524757409.db2.gz ZGOLVRJANIVGMU-NSHDSACASA-N 0 3 288.800 2.142 10 0 CEAEHN Cc1cccc(O[C@H](C)C[C@](C)(NC2CC2)C(N)=O)c1C ZINC000068655470 524782810 /nfs/dbraw/zinc/78/28/10/524782810.db2.gz NWWRKMDTJFWBGT-PXAZEXFGSA-N 0 3 290.407 2.457 10 0 CEAEHN Cc1cccc([C@@H](CN)N(CCO)Cc2ccccc2)c1 ZINC000050513854 524835001 /nfs/dbraw/zinc/83/50/01/524835001.db2.gz QXCNVJNSNXFXBR-GOSISDBHSA-N 0 3 284.403 2.489 10 0 CEAEHN C[C@H]1C[C@@H]1NCc1ccc(I)o1 ZINC000052274103 524851992 /nfs/dbraw/zinc/85/19/92/524851992.db2.gz URDGYIVMVUAHSL-XPUUQOCRSA-N 0 3 277.105 2.382 10 0 CEAEHN Cc1ccc(N)c(C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000053003249 524903334 /nfs/dbraw/zinc/90/33/34/524903334.db2.gz AAGMUCMJPAOEIB-CYBMUJFWSA-N 0 3 277.412 2.283 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc3ncccc3c2)C[C@@H](C)O1 ZINC000069502198 525055835 /nfs/dbraw/zinc/05/58/35/525055835.db2.gz NKGDAKMFODAJTQ-XNJGSVPQSA-N 0 3 285.391 2.344 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cccc(Cl)c1 ZINC000069133075 525100671 /nfs/dbraw/zinc/10/06/71/525100671.db2.gz ZQPFXGANXNECEE-AOOOYVTPSA-N 0 3 252.745 2.162 10 0 CEAEHN Cc1ccccc1N(C)C[C@@](N)(CO)c1ccccc1 ZINC000070338577 525216055 /nfs/dbraw/zinc/21/60/55/525216055.db2.gz JKTLXRJELAHJDT-QGZVFWFLSA-N 0 3 270.376 2.278 10 0 CEAEHN CS(=O)(=O)c1cccc(Oc2cccc(CN)c2)c1 ZINC000069330648 525274012 /nfs/dbraw/zinc/27/40/12/525274012.db2.gz KLJXLNXMMYNLLU-UHFFFAOYSA-N 0 3 277.345 2.341 10 0 CEAEHN COc1ccc([C@H](N)COC2CCC2)cc1OC ZINC000050520125 525364186 /nfs/dbraw/zinc/36/41/86/525364186.db2.gz ZRHBEBUEVCCGNZ-GFCCVEGCSA-N 0 3 251.326 2.273 10 0 CEAEHN COc1ccc([C@H](O)[C@@H](N)c2ccccc2)c(OC)c1 ZINC000054682433 525379509 /nfs/dbraw/zinc/37/95/09/525379509.db2.gz ISMDOTMBGOSBDD-HOTGVXAUSA-N 0 3 273.332 2.437 10 0 CEAEHN C[C@@H](NCC(=O)NCc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000183151456 525411568 /nfs/dbraw/zinc/41/15/68/525411568.db2.gz UCOGHJNGZZVCBA-RISCZKNCSA-N 0 3 296.798 2.113 10 0 CEAEHN Cc1cc([C@@H](CN)N2CCOCC2(C)C)ccc1F ZINC000050546290 525481270 /nfs/dbraw/zinc/48/12/70/525481270.db2.gz XOYUYCBDTATROC-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN CSC[C@@H](C)CNC(=O)C[C@@H](N)c1ccccc1 ZINC000069448779 525617301 /nfs/dbraw/zinc/61/73/01/525617301.db2.gz TWBNIBLCFPYQPF-WCQYABFASA-N 0 3 266.410 2.192 10 0 CEAEHN Cc1ccc([C@@H](N)Cn2cccc(C)c2=O)c(C)c1 ZINC000062985968 525764789 /nfs/dbraw/zinc/76/47/89/525764789.db2.gz IVPKNYMPJLURSQ-HNNXBMFYSA-N 0 3 256.349 2.474 10 0 CEAEHN Cc1c(N)cccc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000049500432 525819887 /nfs/dbraw/zinc/81/98/87/525819887.db2.gz NFBZHYKCEYTSRT-LBPRGKRZSA-N 0 3 275.396 2.181 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@@](C)(N)C2CC2)s1 ZINC000049185493 525906698 /nfs/dbraw/zinc/90/66/98/525906698.db2.gz CGNJQNKMHQMHQX-ZANVPECISA-N 0 3 252.383 2.361 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)c2c[nH]c(=NN)c(Cl)c2)o1 ZINC000051114699 525914402 /nfs/dbraw/zinc/91/44/02/525914402.db2.gz XPXMKDCEQPCPRU-QMMMGPOBSA-N 0 3 294.742 2.413 10 0 CEAEHN Cc1ccc(=O)n(C[C@@H](N)c2ccc(CC(C)C)cc2)n1 ZINC000061810461 525975779 /nfs/dbraw/zinc/97/57/79/525975779.db2.gz HXYKFWGSMGFODW-MRXNPFEDSA-N 0 3 285.391 2.450 10 0 CEAEHN COc1cccc(CNC(C)(C)C)c1OCC(=O)N(C)C ZINC000062732197 526008970 /nfs/dbraw/zinc/00/89/70/526008970.db2.gz SQSOXWHTSDTGPC-UHFFFAOYSA-N 0 3 294.395 2.050 10 0 CEAEHN COc1cccc(N(C)C(=O)[C@H](CN)c2ccccc2)c1 ZINC000061613229 526129071 /nfs/dbraw/zinc/12/90/71/526129071.db2.gz BDPKRZYSHLSSIQ-MRXNPFEDSA-N 0 3 284.359 2.401 10 0 CEAEHN COc1cccc(OC)c1Oc1ccnc(C(=N)N)c1 ZINC000061814538 526224639 /nfs/dbraw/zinc/22/46/39/526224639.db2.gz NGCNYGFEUCFBBJ-UHFFFAOYSA-N 0 3 273.292 2.175 10 0 CEAEHN O[C@H](CNC1CC1)c1cc(Br)ccc1F ZINC000055029074 526275378 /nfs/dbraw/zinc/27/53/78/526275378.db2.gz VAYMYPBOSLXXRZ-LLVKDONJSA-N 0 3 274.133 2.374 10 0 CEAEHN Cc1nnc(SCCc2nc3ccc(N)cc3[nH]2)o1 ZINC000051037683 526384953 /nfs/dbraw/zinc/38/49/53/526384953.db2.gz IKPPJXDVDGAALZ-UHFFFAOYSA-N 0 3 275.337 2.171 10 0 CEAEHN Cc1nnc(Sc2nc3c(cc2CN)CCCC3)o1 ZINC000051038305 526391960 /nfs/dbraw/zinc/39/19/60/526391960.db2.gz WVSSKPQTJVIYAH-UHFFFAOYSA-N 0 3 276.365 2.262 10 0 CEAEHN c1cc(N2CCO[C@H]3CCCC[C@@H]32)ncc1CNC1CC1 ZINC000051519723 526433428 /nfs/dbraw/zinc/43/34/28/526433428.db2.gz RHLKFADOSYDRSZ-HOTGVXAUSA-N 0 3 287.407 2.481 10 0 CEAEHN O=C(CCNCc1cc(F)c(F)c(F)c1)N1CCCC1 ZINC000062705824 526512461 /nfs/dbraw/zinc/51/24/61/526512461.db2.gz NWZZAMZGLHTHML-UHFFFAOYSA-N 0 3 286.297 2.206 10 0 CEAEHN CNCc1cc(N2C[C@H]3CC[C@@H](C2)O3)c2ccccc2n1 ZINC000090907705 536469193 /nfs/dbraw/zinc/46/91/93/536469193.db2.gz PMQRYDBICMDQDS-OKILXGFUSA-N 0 3 283.375 2.322 10 0 CEAEHN Cc1nc(Cl)cc(N[C@H](C)CN2CCCC2)n1 ZINC000052836705 526936322 /nfs/dbraw/zinc/93/63/22/526936322.db2.gz QUKIDJXEXHPFLN-SECBINFHSA-N 0 3 254.765 2.335 10 0 CEAEHN Cc1nc(N(C)[C@H]2CCCN(C)C2)sc1[C@@H](C)O ZINC000054911533 526951833 /nfs/dbraw/zinc/95/18/33/526951833.db2.gz KKWIATZYBLCRLU-MNOVXSKESA-N 0 3 269.414 2.035 10 0 CEAEHN NC(=O)[C@@H](N)CCSc1cc(Cl)ccc1Cl ZINC000062598315 526954859 /nfs/dbraw/zinc/95/48/59/526954859.db2.gz QZGOEDIYIRBDHJ-QMMMGPOBSA-N 0 3 279.192 2.288 10 0 CEAEHN NC(=O)[C@@]1(NC2CCCC2)CCCc2sccc21 ZINC000061329907 526991021 /nfs/dbraw/zinc/99/10/21/526991021.db2.gz AJXNCUBDPNMCKE-CQSZACIVSA-N 0 3 264.394 2.297 10 0 CEAEHN NC(=O)[C@H](NC1CCCC1)c1cccc2cccnc21 ZINC000069503138 526995053 /nfs/dbraw/zinc/99/50/53/526995053.db2.gz OEYCZNJJRXGDHJ-OAHLLOKOSA-N 0 3 269.348 2.293 10 0 CEAEHN NC[C@@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 ZINC000061612152 527201017 /nfs/dbraw/zinc/20/10/17/527201017.db2.gz ZQZYEEQHCLVXFE-GDBMZVCRSA-N 0 3 283.375 2.421 10 0 CEAEHN NC[C@H](C(=O)NCc1cccs1)c1ccccc1 ZINC000061611150 527223468 /nfs/dbraw/zinc/22/34/68/527223468.db2.gz AAZPPDQQAOAYRK-ZDUSSCGKSA-N 0 3 260.362 2.107 10 0 CEAEHN Cn1cc(C[C@H](N)c2cc(F)c(F)c(F)c2)cn1 ZINC000050543167 527232163 /nfs/dbraw/zinc/23/21/63/527232163.db2.gz LTBVOWXOARQWPQ-NSHDSACASA-N 0 3 255.243 2.080 10 0 CEAEHN NCc1cc(-c2ccccc2Br)n[nH]1 ZINC000050478884 527243878 /nfs/dbraw/zinc/24/38/78/527243878.db2.gz UPQYQPXOAFUWBS-UHFFFAOYSA-N 0 3 252.115 2.298 10 0 CEAEHN NCc1cc(F)ccc1N1CCC[C@H]1CCCO ZINC000052761761 527249266 /nfs/dbraw/zinc/24/92/66/527249266.db2.gz DYKUAOBVUCJHHS-ZDUSSCGKSA-N 0 3 252.333 2.026 10 0 CEAEHN NCc1ccccc1NC(=O)Cn1ncc2ccccc21 ZINC000050524538 527260675 /nfs/dbraw/zinc/26/06/75/527260675.db2.gz RFOAKGYAELOGNQ-UHFFFAOYSA-N 0 3 280.331 2.134 10 0 CEAEHN NCc1nc(OC[C@@H]2CCCCO2)ccc1Cl ZINC000051524341 527265834 /nfs/dbraw/zinc/26/58/34/527265834.db2.gz SPQJOEGAISYGOM-VIFPVBQESA-N 0 3 256.733 2.142 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)c1cccc(O)c1 ZINC000069052641 527280783 /nfs/dbraw/zinc/28/07/83/527280783.db2.gz KENYFIICHIJORP-UHFFFAOYSA-N 0 3 268.316 2.290 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000069136518 527301852 /nfs/dbraw/zinc/30/18/52/527301852.db2.gz YBVNRCGBANIQRR-MXWKQRLJSA-N 0 3 299.358 2.274 10 0 CEAEHN FC(F)(F)CO[C@H]1CCC[C@@H](NCc2ccncn2)C1 ZINC000054789529 527671518 /nfs/dbraw/zinc/67/15/18/527671518.db2.gz GOYVXJXBYDUSAB-PWSUYJOCSA-N 0 3 289.301 2.456 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCc1ccoc1 ZINC000177331888 529065454 /nfs/dbraw/zinc/06/54/54/529065454.db2.gz MOBHDTIQXGDWDZ-CQSZACIVSA-N 0 3 264.369 2.155 10 0 CEAEHN CC(C)Oc1nc(N2CCN3CCCC[C@@H]3C2)ccc1N ZINC000094439073 535071945 /nfs/dbraw/zinc/07/19/45/535071945.db2.gz YZCMJAKWEGUKBZ-CYBMUJFWSA-N 0 3 290.411 2.126 10 0 CEAEHN CCc1cc(C(=O)N2CC[C@@H](N)c3ccccc32)n(C)n1 ZINC000090125042 536112011 /nfs/dbraw/zinc/11/20/11/536112011.db2.gz COZLLJVSATZZQB-CYBMUJFWSA-N 0 3 284.363 2.033 10 0 CEAEHN CC[C@H](C)N1CCN(c2ncnc3cc(N)ccc32)CC1 ZINC000087821127 536148657 /nfs/dbraw/zinc/14/86/57/536148657.db2.gz QGKIJCXCWVXOQL-LBPRGKRZSA-N 0 3 285.395 2.133 10 0 CEAEHN COC(=O)[C@@H](C)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000093036295 536443392 /nfs/dbraw/zinc/44/33/92/536443392.db2.gz ZUVUDXBQJWMYOM-STQMWFEESA-N 0 3 294.370 2.145 10 0 CEAEHN COc1ccc(N2CCC[C@@H](NC(C)C)C2=O)c(OC)c1 ZINC000071038056 536673523 /nfs/dbraw/zinc/67/35/23/536673523.db2.gz UASLJSMOBBBZIP-CYBMUJFWSA-N 0 3 292.379 2.197 10 0 CEAEHN CN(C1CC1)[S@@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675073853 574511345 /nfs/dbraw/zinc/51/13/45/574511345.db2.gz BSLVGSSQNQPXAT-SFHVURJKSA-N 0 3 265.382 2.267 10 0 CEAEHN C[C@@H]1[C@@H](NC(=O)n2ccnc2)CCN1Cc1ccccc1 ZINC000309865300 625339672 /nfs/dbraw/zinc/33/96/72/625339672.db2.gz FGGNKNWLQJIWES-HIFRSBDPSA-N 0 3 284.363 2.104 10 0 CEAEHN CC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@@H](C)C1 ZINC000309832226 627951290 /nfs/dbraw/zinc/95/12/90/627951290.db2.gz YVVUKEUDBLEJEU-GXLIIEKNSA-N 0 3 265.184 2.152 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NOCc2ccc(F)cc2)C1 ZINC000183688433 628188640 /nfs/dbraw/zinc/18/86/40/628188640.db2.gz NFEREKDOIJBOPK-CQSZACIVSA-N 0 3 295.358 2.041 10 0 CEAEHN O=C(CCCc1ccccc1)N[C@@H]1CN2CCC1CC2 ZINC000222592392 629184071 /nfs/dbraw/zinc/18/40/71/629184071.db2.gz OVCVPIKTHDYKLR-MRXNPFEDSA-N 0 3 272.392 2.220 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1F ZINC000261892670 629304709 /nfs/dbraw/zinc/30/47/09/629304709.db2.gz VSBAYANUZUKYQH-ABAIWWIYSA-N 0 3 294.370 2.065 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(Cl)nc2)C1 ZINC000049210946 629853439 /nfs/dbraw/zinc/85/34/39/629853439.db2.gz WYKIYIXHTSYQGG-LLVKDONJSA-N 0 3 282.775 2.341 10 0 CEAEHN CO[C@@H](c1noc([C@H]2CNCc3ccccc32)n1)C1CC1 ZINC000227332180 639584797 /nfs/dbraw/zinc/58/47/97/639584797.db2.gz XCEBFTHWOFVYSN-UONOGXRCSA-N 0 3 285.347 2.402 10 0 CEAEHN CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@H](C)CCN2)s1 ZINC000230295183 639753295 /nfs/dbraw/zinc/75/32/95/639753295.db2.gz MRQARUHBJLKYLJ-ZJUUUORDSA-N 0 3 282.413 2.063 10 0 CEAEHN C[C@@H](NCC1OCCO1)c1cccc(Br)c1 ZINC000180239356 641436376 /nfs/dbraw/zinc/43/63/76/641436376.db2.gz HWMKMMDHCILVGB-SECBINFHSA-N 0 3 286.169 2.473 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NOCc2ccc(F)cc2)C1 ZINC000183688411 641780030 /nfs/dbraw/zinc/78/00/30/641780030.db2.gz NFEREKDOIJBOPK-AWEZNQCLSA-N 0 3 295.358 2.041 10 0 CEAEHN COc1cc(OC)c([C@H](N)C2CCOCC2)cc1OC ZINC000095825609 185028983 /nfs/dbraw/zinc/02/89/83/185028983.db2.gz JFCIDMMKGOADKY-OAHLLOKOSA-N 0 3 281.352 2.139 10 0 CEAEHN CSCC[C@H](N)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939127 361798556 /nfs/dbraw/zinc/79/85/56/361798556.db2.gz ZQMWTOADHNFAKC-VIFPVBQESA-N 0 3 293.392 2.477 10 0 CEAEHN Cc1ccccc1Cc1csc(N2CCNCC2)n1 ZINC000033867176 361785519 /nfs/dbraw/zinc/78/55/19/361785519.db2.gz YEFYGVHBWYUIAA-UHFFFAOYSA-N 0 3 273.405 2.452 10 0 CEAEHN CNCC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000082744562 178269411 /nfs/dbraw/zinc/26/94/11/178269411.db2.gz CPLVSJMOGDUHHA-AWEZNQCLSA-N 0 3 252.166 2.320 10 0 CEAEHN CC(C)C(=O)N1CCC2(CN(CC3CCCC3)C2)C1 ZINC000096070733 185086920 /nfs/dbraw/zinc/08/69/20/185086920.db2.gz AZWWLZGKXYXUJN-UHFFFAOYSA-N 0 3 264.413 2.367 10 0 CEAEHN CC(C)COc1ccc([C@H](C)N[C@@H](C)C(N)=O)cc1 ZINC000035792852 361823772 /nfs/dbraw/zinc/82/37/72/361823772.db2.gz UMNSZUOLCLHGHL-RYUDHWBXSA-N 0 3 264.369 2.246 10 0 CEAEHN COc1ccc(Br)cc1[C@@H](CN)N(C)C ZINC000036894255 361867308 /nfs/dbraw/zinc/86/73/08/361867308.db2.gz AIFPIMPCTVMTPY-SNVBAGLBSA-N 0 3 273.174 2.019 10 0 CEAEHN CC(C)(O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000037693612 361923203 /nfs/dbraw/zinc/92/32/03/361923203.db2.gz CFALHXJXLYYVOJ-UHFFFAOYSA-N 0 3 268.788 2.233 10 0 CEAEHN N[C@@H]1C[C@@]12CNc1cc(Cl)c(Br)cc12 ZINC000725247204 539192240 /nfs/dbraw/zinc/19/22/40/539192240.db2.gz JZKHPJWYGMQCFK-ZJUUUORDSA-N 0 3 273.561 2.497 10 0 CEAEHN C(c1noc2c1CCCC2)N1CCN2CCCC[C@@H]2C1 ZINC000177760969 542246618 /nfs/dbraw/zinc/24/66/18/542246618.db2.gz UXPXIMDIOFVVKS-CYBMUJFWSA-N 0 3 275.396 2.224 10 0 CEAEHN CC[C@H](NC(=O)c1cccc2c1CCNC2)C(C)C ZINC000124226102 539185550 /nfs/dbraw/zinc/18/55/50/539185550.db2.gz LTXVYMBIGVRITG-HNNXBMFYSA-N 0 3 260.381 2.497 10 0 CEAEHN CCCCS(=O)(=O)N1c2ccccc2CCC[C@@H]1CN ZINC000725262930 539211895 /nfs/dbraw/zinc/21/18/95/539211895.db2.gz SZXXZPYQJWZDJZ-CQSZACIVSA-N 0 3 296.436 2.287 10 0 CEAEHN CCN1C[C@@H](C)[C@@H](NCc2ncc(Cl)s2)C1 ZINC000309667617 539272800 /nfs/dbraw/zinc/27/28/00/539272800.db2.gz UVIMGSGGFJVPMT-BDAKNGLRSA-N 0 3 259.806 2.226 10 0 CEAEHN C[C@H](NC(=O)NCCN(C)C)c1ccc(Cl)s1 ZINC000133432960 539272872 /nfs/dbraw/zinc/27/28/72/539272872.db2.gz CITRDRWGZYHTPN-QMMMGPOBSA-N 0 3 275.805 2.323 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H]2CCc3c2cccc3F)C1 ZINC000135586645 539288034 /nfs/dbraw/zinc/28/80/34/539288034.db2.gz PHBXIVGITNREGF-BLLLJJGKSA-N 0 3 278.371 2.123 10 0 CEAEHN Cc1nc(C)c(CN2C[C@@H]3CCCCN3C[C@H]2C)o1 ZINC000311863337 539286759 /nfs/dbraw/zinc/28/67/59/539286759.db2.gz SHIORJJYCXYFSW-RISCZKNCSA-N 0 3 263.385 2.350 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCCC[C@H](SC)C2)C1 ZINC000126629531 187252533 /nfs/dbraw/zinc/25/25/33/187252533.db2.gz JHDJORZKTGSKLZ-KBPBESRZSA-N 0 3 299.484 2.398 10 0 CEAEHN O=C(CNCCc1cccs1)NCc1ccccc1 ZINC000034937048 343421441 /nfs/dbraw/zinc/42/14/41/343421441.db2.gz UGZIQOCGQAHJBF-UHFFFAOYSA-N 0 3 274.389 2.197 10 0 CEAEHN COc1cccc(CN[C@H]2CCCC[C@@H]2CO)c1F ZINC000194118242 539320016 /nfs/dbraw/zinc/32/00/16/539320016.db2.gz UAEOAUWSIYPJSP-OLZOCXBDSA-N 0 3 267.344 2.475 10 0 CEAEHN CNc1cc(Nc2cccc(CN(C)C)c2)ncn1 ZINC000113689332 344277344 /nfs/dbraw/zinc/27/73/44/344277344.db2.gz WJHYLESFKMXGEQ-UHFFFAOYSA-N 0 3 257.341 2.324 10 0 CEAEHN COc1cc(C[NH+](C)C)cc(Br)c1[O-] ZINC000132505274 344363917 /nfs/dbraw/zinc/36/39/17/344363917.db2.gz FYCOVUGBAVLINZ-UHFFFAOYSA-N 0 3 260.131 2.225 10 0 CEAEHN C[C@H](Cc1ccsc1)NC(=O)[C@]1(C)CCCCN1 ZINC000136179360 344384084 /nfs/dbraw/zinc/38/40/84/344384084.db2.gz KJQVEDYQWPOIOI-RISCZKNCSA-N 0 3 266.410 2.328 10 0 CEAEHN COc1ccc2c(c1)[C@@]13CCCO[C@H]1[C@@H](C2)N(C)CC3 ZINC000146747789 344411114 /nfs/dbraw/zinc/41/11/14/344411114.db2.gz TZQGITNSDOYMEH-IKGGRYGDSA-N 0 3 273.376 2.372 10 0 CEAEHN C[C@H]1CN[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)S1 ZINC000159137697 344453843 /nfs/dbraw/zinc/45/38/43/344453843.db2.gz MTOSODIIGDSUHS-GWCFXTLKSA-N 0 3 272.414 2.439 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@@]2(C1)NCCS2 ZINC000159131397 344453870 /nfs/dbraw/zinc/45/38/70/344453870.db2.gz PVNUDORCFQVTML-GFCCVEGCSA-N 0 3 258.387 2.050 10 0 CEAEHN NC(=O)c1ccccc1[C@@H]1NCCc2ccccc21 ZINC000165487976 344474480 /nfs/dbraw/zinc/47/44/80/344474480.db2.gz VAMDMRKHKPRFQT-OAHLLOKOSA-N 0 3 252.317 2.021 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCCc2ccccn2)C1 ZINC000170903791 344492591 /nfs/dbraw/zinc/49/25/91/344492591.db2.gz KRHMDVJIGATULA-OAHLLOKOSA-N 0 3 275.396 2.005 10 0 CEAEHN COC(=O)[C@@H]1CCCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229392022 344567406 /nfs/dbraw/zinc/56/74/06/344567406.db2.gz YAZCSUVLRBICKE-KGLIPLIRSA-N 0 3 281.396 2.363 10 0 CEAEHN Cc1cc(OC2CNC2)cc(C)c1Br ZINC000235898732 344593332 /nfs/dbraw/zinc/59/33/32/344593332.db2.gz PFCWMMLGSXALBM-UHFFFAOYSA-N 0 3 256.143 2.417 10 0 CEAEHN CCn1c(CN[C@H]2CCCC[C@H]2O)nc2ccccc21 ZINC000052001695 362459212 /nfs/dbraw/zinc/45/92/12/362459212.db2.gz CUGVESSSZQJUNS-DZGCQCFKSA-N 0 3 273.380 2.449 10 0 CEAEHN NCc1cc(Br)c(OC(F)(F)F)cn1 ZINC000238629591 344607105 /nfs/dbraw/zinc/60/71/05/344607105.db2.gz DEVDODARUBVGSB-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN CN1CC[C@H](Oc2cc(N)cc(C(F)(F)F)c2)C1 ZINC000306083382 344711966 /nfs/dbraw/zinc/71/19/66/344711966.db2.gz JADIYJCBIDJEEN-JTQLQIEISA-N 0 3 260.259 2.371 10 0 CEAEHN NC1(c2nc3c(cccc3Br)[nH]2)CC1 ZINC000306234589 344712576 /nfs/dbraw/zinc/71/25/76/344712576.db2.gz JRVVXGWVHDKWKG-UHFFFAOYSA-N 0 3 252.115 2.273 10 0 CEAEHN Cn1ncc([C@@H](N)C(C)(C)C)c1I ZINC000306728917 344716809 /nfs/dbraw/zinc/71/68/09/344716809.db2.gz CFIXRVHJSXCPNO-SSDOTTSWSA-N 0 3 293.152 2.071 10 0 CEAEHN Cc1cc(C)c(CN2CC[C@@H]3OCCN[C@H]3C2)c(C)c1 ZINC000404118367 344878214 /nfs/dbraw/zinc/87/82/14/344878214.db2.gz LXAOPEKLHYNWMC-IRXDYDNUSA-N 0 3 274.408 2.175 10 0 CEAEHN OC[C@@]1(C[C@@H]2CO2)CCCN(Cc2ccccc2)C1 ZINC000584882611 344996057 /nfs/dbraw/zinc/99/60/57/344996057.db2.gz RGFAXADQLOUVQL-HZPDHXFCSA-N 0 3 261.365 2.050 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1C ZINC000054074627 362509398 /nfs/dbraw/zinc/50/93/98/362509398.db2.gz VYYBBUPKIIWIMP-LLVKDONJSA-N 0 3 250.342 2.329 10 0 CEAEHN COc1ccc([C@H](C)NCc2cnc[nH]2)cc1OC ZINC000054765148 362538258 /nfs/dbraw/zinc/53/82/58/362538258.db2.gz ZCSWAZYBJRPQMN-JTQLQIEISA-N 0 3 261.325 2.278 10 0 CEAEHN NCc1ccccc1CS(=O)(=O)C1CCCC1 ZINC000084272507 178838862 /nfs/dbraw/zinc/83/88/62/178838862.db2.gz BUDBUZICXQCPIT-UHFFFAOYSA-N 0 3 253.367 2.003 10 0 CEAEHN COC[C@@H](C)C[C@H](N)c1cc(OC)ccc1OC ZINC000097137183 185543392 /nfs/dbraw/zinc/54/33/92/185543392.db2.gz CJXROJAMLJHVRA-GWCFXTLKSA-N 0 3 253.342 2.376 10 0 CEAEHN CCCN(CCC)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000057870263 362597464 /nfs/dbraw/zinc/59/74/64/362597464.db2.gz SONAPYDATJWIHK-CYBMUJFWSA-N 0 3 255.406 2.302 10 0 CEAEHN N[C@H](CCc1ccc2c(c1)CCO2)c1ccnnc1 ZINC000097196961 185558629 /nfs/dbraw/zinc/55/86/29/185558629.db2.gz AURFBKBJQMLZEK-CQSZACIVSA-N 0 3 255.321 2.044 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155440010 232233518 /nfs/dbraw/zinc/23/35/18/232233518.db2.gz YPTJWHDBPDEHCN-GXTWGEPZSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155440010 232233520 /nfs/dbraw/zinc/23/35/20/232233520.db2.gz YPTJWHDBPDEHCN-GXTWGEPZSA-N 0 3 276.380 2.159 10 0 CEAEHN CCN[C@H](Cc1ccncc1)c1cc(CC)nn1C ZINC000097278152 185577382 /nfs/dbraw/zinc/57/73/82/185577382.db2.gz AOMQKHBNKGRVRX-CQSZACIVSA-N 0 3 258.369 2.271 10 0 CEAEHN CCn1nc(C)cc1[C@H](N)[C@@H]1CCOC2(CCOCC2)C1 ZINC000097310929 185583287 /nfs/dbraw/zinc/58/32/87/185583287.db2.gz PBZZOEXMVYWXSV-UKRRQHHQSA-N 0 3 293.411 2.187 10 0 CEAEHN CCN[C@@H](c1cc(C)nn1C)c1ccc2c(c1)CCO2 ZINC000097391318 185597623 /nfs/dbraw/zinc/59/76/23/185597623.db2.gz BXDPXFSSYPUSMR-MRXNPFEDSA-N 0 3 271.364 2.362 10 0 CEAEHN NCc1ccc(F)cc1CS(=O)(=O)CC1CCCC1 ZINC000085149483 178959582 /nfs/dbraw/zinc/95/95/82/178959582.db2.gz NHQWQVRUXFBZHS-UHFFFAOYSA-N 0 3 285.384 2.389 10 0 CEAEHN CN[C@@H](CO)COc1ccccc1-c1ccccc1 ZINC000085283134 179000856 /nfs/dbraw/zinc/00/08/56/179000856.db2.gz CPJHQGXFWFTPQZ-AWEZNQCLSA-N 0 3 257.333 2.313 10 0 CEAEHN CN(C)CCn1ncc(Cl)c1[C@@H](NN)C1(C)CCCC1 ZINC000097783605 185668254 /nfs/dbraw/zinc/66/82/54/185668254.db2.gz RQURWUTUDNPKLK-CYBMUJFWSA-N 0 3 299.850 2.183 10 0 CEAEHN CN[C@@H](C)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)c1 ZINC000085405202 179054175 /nfs/dbraw/zinc/05/41/75/179054175.db2.gz ZICSLRGCPWZXJS-TVYUQYBPSA-N 0 3 272.348 2.112 10 0 CEAEHN CC(C)c1nc2c(n1[C@H]1CCN(C3CC3)C1)CCNC2 ZINC000085573032 179097927 /nfs/dbraw/zinc/09/79/27/179097927.db2.gz VXIUCKASGVNDOV-ZDUSSCGKSA-N 0 3 274.412 2.061 10 0 CEAEHN C[C@@](O)(CN[C@@H](CO)c1ccccc1)c1ccccc1 ZINC000063002182 362741011 /nfs/dbraw/zinc/74/10/11/362741011.db2.gz NNWBEWCINRQOQL-DLBZAZTESA-N 0 3 271.360 2.217 10 0 CEAEHN Cc1ccc(NC(=O)[C@H](C)NC[C@H]2CCCC[C@@H]2O)cc1 ZINC000085986100 179211538 /nfs/dbraw/zinc/21/15/38/179211538.db2.gz VCSAHRAJRYKNAV-LZWOXQAQSA-N 0 3 290.407 2.463 10 0 CEAEHN Cc1cc(C)c(C)c([C@H](N)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000086019945 179217873 /nfs/dbraw/zinc/21/78/73/179217873.db2.gz QSJLASFSZAKFBG-UKRRQHHQSA-N 0 3 281.421 2.355 10 0 CEAEHN CCN[C@@H](c1sccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086022272 179218398 /nfs/dbraw/zinc/21/83/98/179218398.db2.gz IHSHNEAJCFPUBB-WDEREUQCSA-N 0 3 273.423 2.142 10 0 CEAEHN CCCN[C@H](c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000086022331 179218623 /nfs/dbraw/zinc/21/86/23/179218623.db2.gz PRMUKPRDYAUJKC-YPMHNXCESA-N 0 3 271.382 2.063 10 0 CEAEHN CCCN[C@@H](c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000086021536 179218980 /nfs/dbraw/zinc/21/89/80/179218980.db2.gz VWLBNJVBYAQPQS-ZYHUDNBSSA-N 0 3 273.423 2.224 10 0 CEAEHN C[C@@H]1CN[C@@](C)(c2ccccc2)CN1c1cnn(C)c1 ZINC000086218346 179250006 /nfs/dbraw/zinc/25/00/06/179250006.db2.gz UJQNATZDBLNZIW-CZUORRHYSA-N 0 3 270.380 2.134 10 0 CEAEHN C[C@@H]1CN[C@](C)(c2ccccc2)CN1Cc1nccn1C ZINC000086264855 179260967 /nfs/dbraw/zinc/26/09/67/179260967.db2.gz BBSYSHODQRVALB-PBHICJAKSA-N 0 3 284.407 2.129 10 0 CEAEHN CSCCN1C[C@@H](c2ccccc2)NC[C@@H]1C ZINC000086266178 179262325 /nfs/dbraw/zinc/26/23/25/179262325.db2.gz BIASNEIGAPQRLL-JSGCOSHPSA-N 0 3 250.411 2.384 10 0 CEAEHN CC(C)CN1C(=O)C[C@@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317457 179270388 /nfs/dbraw/zinc/27/03/88/179270388.db2.gz OKUMBEBZOYKVAF-DYVFJYSZSA-N 0 3 283.375 2.492 10 0 CEAEHN CCCN1C(=O)C[C@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317444 179270394 /nfs/dbraw/zinc/27/03/94/179270394.db2.gz BFXHICOKHGHYFJ-BLLLJJGKSA-N 0 3 269.348 2.246 10 0 CEAEHN CCN(CC)C(=O)[C@@H](CN)Cc1ccc2ccccc2n1 ZINC000086317260 179269770 /nfs/dbraw/zinc/26/97/70/179269770.db2.gz GJUCOUXGMNCNAH-CQSZACIVSA-N 0 3 285.391 2.221 10 0 CEAEHN CC(C)CN1C(=O)C[C@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317459 179270072 /nfs/dbraw/zinc/27/00/72/179270072.db2.gz OKUMBEBZOYKVAF-GUYCJALGSA-N 0 3 283.375 2.492 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc2ccccc2n1 ZINC000086317436 179270082 /nfs/dbraw/zinc/27/00/82/179270082.db2.gz YWVVSAWSEIZGHV-SUMWQHHRSA-N 0 3 281.359 2.388 10 0 CEAEHN NC[C@H](c1cc(Cl)cs1)N1CCSCC1 ZINC000086333187 179273323 /nfs/dbraw/zinc/27/33/23/179273323.db2.gz DEFAGRYLROEYPI-SECBINFHSA-N 0 3 262.831 2.450 10 0 CEAEHN CN(C[C@H]1CCCO1)c1nc2c(s1)CCC[C@@H]2N ZINC000086443533 179293788 /nfs/dbraw/zinc/29/37/88/179293788.db2.gz GQHPLPSYAXZLID-ZJUUUORDSA-N 0 3 267.398 2.094 10 0 CEAEHN N[C@H]1CCCc2sc(N3CCN(CC4CC4)CC3)nc21 ZINC000086443940 179294118 /nfs/dbraw/zinc/29/41/18/179294118.db2.gz PFOKDZUZWUYMLU-LBPRGKRZSA-N 0 3 292.452 2.011 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccccc2OC)[C@@H](CC)CN1 ZINC000086446000 179294602 /nfs/dbraw/zinc/29/46/02/179294602.db2.gz JICOXGSIAVCEQB-OLZOCXBDSA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cc(OC)ccc2O)[C@@H](CC)CN1 ZINC000086446223 179294696 /nfs/dbraw/zinc/29/46/96/179294696.db2.gz ORHXIHNGBUUXBX-RYUDHWBXSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccs2)[C@H](CC)CN1 ZINC000086447945 179295327 /nfs/dbraw/zinc/29/53/27/179295327.db2.gz APLVDYDQISEKAS-GHMZBOCLSA-N 0 3 252.383 2.351 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cccn2CC)[C@@H](CC)CN1 ZINC000086447730 179295497 /nfs/dbraw/zinc/29/54/97/179295497.db2.gz WUXLUARSSATBOD-STQMWFEESA-N 0 3 263.385 2.111 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1ccsc1 ZINC000086448214 179295634 /nfs/dbraw/zinc/29/56/34/179295634.db2.gz WRFZKKXPBJERCS-QWHCGFSZSA-N 0 3 266.410 2.280 10 0 CEAEHN CC[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)[C@@H](CC)CN1 ZINC000086447161 179295690 /nfs/dbraw/zinc/29/56/90/179295690.db2.gz XTWSMMZTMLSDIP-VNHYZAJKSA-N 0 3 288.391 2.152 10 0 CEAEHN Cc1cc(C)c(C(=O)N2C[C@@H](C)NC[C@@H]2C)c(C)c1 ZINC000086467259 179297166 /nfs/dbraw/zinc/29/71/66/179297166.db2.gz RMSZSQKTVGAKPE-KGLIPLIRSA-N 0 3 260.381 2.434 10 0 CEAEHN Cc1cnc([C@@H](C)NC(=O)C[C@@H](N)c2ccccc2)o1 ZINC000231743550 539581299 /nfs/dbraw/zinc/58/12/99/539581299.db2.gz XZTAXDAJGYMSGB-DGCLKSJQSA-N 0 3 273.336 2.250 10 0 CEAEHN COc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000086586323 179309717 /nfs/dbraw/zinc/30/97/17/179309717.db2.gz URHSIYJEKGASBC-WDMOLILDSA-N 0 3 298.814 2.458 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1ccc(OC)c(Cl)c1 ZINC000086586534 179310114 /nfs/dbraw/zinc/31/01/14/179310114.db2.gz YKCONTLJRNWARW-JSGCOSHPSA-N 0 3 298.814 2.459 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@H]1NCc1ccc(Cl)cc1 ZINC000086672036 179317827 /nfs/dbraw/zinc/31/78/27/179317827.db2.gz BXOGUJYMFKBKHH-OLZOCXBDSA-N 0 3 287.812 2.395 10 0 CEAEHN C[C@H]1CCC[C@H](N(C)Cc2c[nH]c(=NN)s2)C1 ZINC000086767516 179326086 /nfs/dbraw/zinc/32/60/86/179326086.db2.gz QZWAVAKLXLGLQZ-UWVGGRQHSA-N 0 3 254.403 2.439 10 0 CEAEHN COC(=O)[C@]1(Nc2ccc(C)cc2)CCCN(C)CC1 ZINC000086819802 179348652 /nfs/dbraw/zinc/34/86/52/179348652.db2.gz RVLGGHMFRXWWDP-INIZCTEOSA-N 0 3 276.380 2.434 10 0 CEAEHN COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1Cl ZINC000128716104 187386171 /nfs/dbraw/zinc/38/61/71/187386171.db2.gz PMWMTECEHABWJI-LLVKDONJSA-N 0 3 282.771 2.125 10 0 CEAEHN CCOC(=O)[C@@]1(NCc2cccs2)CCCN(C)CC1 ZINC000086833381 179350013 /nfs/dbraw/zinc/35/00/13/179350013.db2.gz GTYKPTQDWPJEFP-OAHLLOKOSA-N 0 3 296.436 2.255 10 0 CEAEHN CC(C)N1CCC[C@H]([N@@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869102 179361599 /nfs/dbraw/zinc/36/15/99/179361599.db2.gz LYGYVAFQHCINHS-DZGCQCFKSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)N1CCC[C@H]([N@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869102 179361600 /nfs/dbraw/zinc/36/16/00/179361600.db2.gz LYGYVAFQHCINHS-DZGCQCFKSA-N 0 3 268.401 2.046 10 0 CEAEHN COc1ccc(C[C@H](C)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000128730193 187387021 /nfs/dbraw/zinc/38/70/21/187387021.db2.gz SYWPXINLTYAFQC-ZFWWWQNUSA-N 0 3 290.407 2.036 10 0 CEAEHN CCOC(=O)[C@]1(NC(C)C)CCCN(C(C)C)CC1 ZINC000086849778 179358200 /nfs/dbraw/zinc/35/82/00/179358200.db2.gz PNXLMIDZSKKQKQ-HNNXBMFYSA-N 0 3 270.417 2.181 10 0 CEAEHN CCOC(=O)[C@@]1(NCC(C)C)CCCN(CC)CC1 ZINC000086850295 179358465 /nfs/dbraw/zinc/35/84/65/179358465.db2.gz GBVKEQQWRALMBH-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(C)C)CCCC(C)(C)CC1 ZINC000086915949 179367773 /nfs/dbraw/zinc/36/77/73/179367773.db2.gz YVLJXPWZJCCTTK-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(C)C)CCCC(C)(C)CC1 ZINC000086915946 179367943 /nfs/dbraw/zinc/36/79/43/179367943.db2.gz YVLJXPWZJCCTTK-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCNCc1ccnc([C@H]2CSCCS2)n1 ZINC000086985370 179374201 /nfs/dbraw/zinc/37/42/01/179374201.db2.gz DFURRWLPLVOOFN-SNVBAGLBSA-N 0 3 255.412 2.107 10 0 CEAEHN CCCNCc1c[nH]c([C@H]2CSCCS2)n1 ZINC000086985456 179374407 /nfs/dbraw/zinc/37/44/07/179374407.db2.gz AABGDKLMEAHXFI-SNVBAGLBSA-N 0 3 257.428 2.430 10 0 CEAEHN COc1ccc([C@@H](NC2CCCCC2)C(N)=O)cc1F ZINC000086992750 179375173 /nfs/dbraw/zinc/37/51/73/179375173.db2.gz STRXUQOFJIGTAW-CQSZACIVSA-N 0 3 280.343 2.283 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2ccc(OC)c(OC)c2OC)O1 ZINC000087090150 179394248 /nfs/dbraw/zinc/39/42/48/179394248.db2.gz KLEMKDHVFCMPEM-ZWNOBZJWSA-N 0 3 281.352 2.152 10 0 CEAEHN CCC1CCC(O)(CNC[C@H](O)c2ccco2)CC1 ZINC000087065956 179389935 /nfs/dbraw/zinc/38/99/35/179389935.db2.gz ORIJZDSKOWGBDW-OWYJLGKBSA-N 0 3 267.369 2.234 10 0 CEAEHN CCC1CCC(O)(CNC(=O)[C@]2(N)CCC[C@@H](C)C2)CC1 ZINC000087070324 179391239 /nfs/dbraw/zinc/39/12/39/179391239.db2.gz SPOWTDYFHIUSCQ-LYSZQXJVSA-N 0 3 296.455 2.342 10 0 CEAEHN N[C@@H](CC(=O)NCC1(O)CCCCCC1)c1ccccc1 ZINC000087089793 179393347 /nfs/dbraw/zinc/39/33/47/179393347.db2.gz VXEWZKQQIRZXSB-HNNXBMFYSA-N 0 3 290.407 2.278 10 0 CEAEHN C[C@H](NCC1(O)CCCCCC1)C(=O)N1CCCCC1 ZINC000087089201 179393509 /nfs/dbraw/zinc/39/35/09/179393509.db2.gz FRSXRTPIJLKOIK-AWEZNQCLSA-N 0 3 282.428 2.062 10 0 CEAEHN CCc1ccc(C[C@]2(O)CCN(C3CC3)C2)s1 ZINC000087166325 179398656 /nfs/dbraw/zinc/39/86/56/179398656.db2.gz HDYFNUJXVFYSFZ-CQSZACIVSA-N 0 3 251.395 2.452 10 0 CEAEHN OCCc1ccc([C@@H]2CNCCN2Cc2ccccc2)cc1 ZINC000616635161 348541893 /nfs/dbraw/zinc/54/18/93/348541893.db2.gz CNOBROAHHXJIRN-IBGZPJMESA-N 0 3 296.414 2.368 10 0 CEAEHN CCN1CCCOC[C@H]1c1cccc(NC(C)=O)c1 ZINC000616649037 348546933 /nfs/dbraw/zinc/54/69/33/348546933.db2.gz JROMREWRJPDFKI-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN NC[C@@H](NC[C@H]1CCCO1)c1c(F)cccc1Cl ZINC000087928646 179524476 /nfs/dbraw/zinc/52/44/76/179524476.db2.gz VQWAXQCHJBQWBB-BXKDBHETSA-N 0 3 272.751 2.248 10 0 CEAEHN CCCC(=O)N1CC[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000616571172 348524126 /nfs/dbraw/zinc/52/41/26/348524126.db2.gz POYFHQVMSZSFJH-UONOGXRCSA-N 0 3 264.344 2.269 10 0 CEAEHN CCOC(=O)c1cccc([C@@H]2CCCCN2CCO)c1 ZINC000616615893 348534737 /nfs/dbraw/zinc/53/47/37/348534737.db2.gz DWGRAUYAJHPINS-HNNXBMFYSA-N 0 3 277.364 2.383 10 0 CEAEHN c1cc([C@@H]2COCCN(Cc3ccccc3)C2)on1 ZINC000616660881 348553110 /nfs/dbraw/zinc/55/31/10/348553110.db2.gz QTYIBKCSKWANTL-AWEZNQCLSA-N 0 3 258.321 2.291 10 0 CEAEHN CCOC(=O)c1cccc([C@@H]2CCN(C)CCO2)c1 ZINC000616684041 348560281 /nfs/dbraw/zinc/56/02/81/348560281.db2.gz ANHOKVVPFDWPSN-AWEZNQCLSA-N 0 3 263.337 2.257 10 0 CEAEHN COc1ccccc1[C@](C)(N)Cc1ncnn1C(C)C ZINC000088607075 179636545 /nfs/dbraw/zinc/63/65/45/179636545.db2.gz CDTVVZXNFYXNBB-OAHLLOKOSA-N 0 3 274.368 2.284 10 0 CEAEHN C[C@@](N)(C(=O)Nc1c(F)cc(F)cc1F)C1CC1 ZINC000088721642 179658177 /nfs/dbraw/zinc/65/81/77/179658177.db2.gz ZVGNPMQCUVKWHA-LBPRGKRZSA-N 0 3 258.243 2.170 10 0 CEAEHN CN[C@@H](Cc1c(Cl)c(C)nn1C)c1ccoc1 ZINC000089251766 179760528 /nfs/dbraw/zinc/76/05/28/179760528.db2.gz XYFBSLPLVJYIIJ-JTQLQIEISA-N 0 3 253.733 2.478 10 0 CEAEHN CC1CCC(CO)(CN2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000089585318 179824812 /nfs/dbraw/zinc/82/48/12/179824812.db2.gz OIIDORVRQNPGDQ-PYBGIAKNSA-N 0 3 267.413 2.429 10 0 CEAEHN CCCN[C@@H](CC(=O)OCC)c1cncn1CCC ZINC000090207416 179933293 /nfs/dbraw/zinc/93/32/93/179933293.db2.gz DPFNEIDQSFJVPU-LBPRGKRZSA-N 0 3 267.373 2.287 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000623764896 350106337 /nfs/dbraw/zinc/10/63/37/350106337.db2.gz LJDBJVAMXSOUBQ-NWDGAFQWSA-N 0 3 276.163 2.233 10 0 CEAEHN CCCn1c2ccccc2nc1[C@@]1(C)COC[C@H]1N ZINC000090571667 180007519 /nfs/dbraw/zinc/00/75/19/180007519.db2.gz OFPLAWNPDYZNSF-HIFRSBDPSA-N 0 3 259.353 2.062 10 0 CEAEHN Cc1ccncc1[C@H](N)[C@H]1COc2ccccc2O1 ZINC000090710176 180028124 /nfs/dbraw/zinc/02/81/24/180028124.db2.gz DRLRPVWTCOLLDA-CABCVRRESA-N 0 3 256.305 2.230 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@@H](C)[S@](C)=O)CC2 ZINC000090841883 180043811 /nfs/dbraw/zinc/04/38/11/180043811.db2.gz VVIVNPLXCDZFSU-JDSLSITLSA-N 0 3 251.395 2.339 10 0 CEAEHN OC[C@@H](NC[C@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892761 180054681 /nfs/dbraw/zinc/05/46/81/180054681.db2.gz JMAMEOCRSIRQRV-HZPDHXFCSA-N 0 3 287.334 2.452 10 0 CEAEHN Cc1nn(C[C@@H]2Cc3cc(F)ccc3O2)c(C)c1CN ZINC000090894369 180056374 /nfs/dbraw/zinc/05/63/74/180056374.db2.gz BZLQDVSQHGSGGA-ZDUSSCGKSA-N 0 3 275.327 2.101 10 0 CEAEHN CC(C)Oc1ccc([C@H](N)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906041 180060946 /nfs/dbraw/zinc/06/09/46/180060946.db2.gz HOCCLIQJRUSRFL-IXDOHACOSA-N 0 3 290.407 2.337 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H](C)[C@H]1CCCO1 ZINC000090959278 180075284 /nfs/dbraw/zinc/07/52/84/180075284.db2.gz ZMLVYAPPQMXYFR-JOYOIKCWSA-N 0 3 268.382 2.364 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000090959276 180075355 /nfs/dbraw/zinc/07/53/55/180075355.db2.gz ZMLVYAPPQMXYFR-CABZTGNLSA-N 0 3 268.382 2.364 10 0 CEAEHN CO[C@@H]1CCC[C@@H]1NCc1ccccc1NC(C)=O ZINC000090962520 180076928 /nfs/dbraw/zinc/07/69/28/180076928.db2.gz KOMPPPUQJDVTDZ-LSDHHAIUSA-N 0 3 262.353 2.302 10 0 CEAEHN CNCc1cccn1CC(=O)NC1CCCCCC1 ZINC000090995705 180082622 /nfs/dbraw/zinc/08/26/22/180082622.db2.gz APGGFRUPSSJMJM-UHFFFAOYSA-N 0 3 263.385 2.047 10 0 CEAEHN CC(C)CNCc1nccn1Cc1ncc(Cl)n1C ZINC000091002793 180084112 /nfs/dbraw/zinc/08/41/12/180084112.db2.gz XNYGUVQKJQRUHY-UHFFFAOYSA-N 0 3 281.791 2.064 10 0 CEAEHN C[C@@H](OC(=O)C[C@@H]1CSCCN1)c1ccccc1 ZINC000091129959 180101102 /nfs/dbraw/zinc/10/11/02/180101102.db2.gz SRPBTGARHVJFKT-DGCLKSJQSA-N 0 3 265.378 2.386 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)C[C@@H]2CSCCN2)s1 ZINC000091137825 180105643 /nfs/dbraw/zinc/10/56/43/180105643.db2.gz JHUBHAPYEJKZMT-GXSJLCMTSA-N 0 3 299.465 2.032 10 0 CEAEHN NC[C@H](c1cncn1C1CC1)N(Cc1ccco1)C1CC1 ZINC000091276442 180119736 /nfs/dbraw/zinc/11/97/36/180119736.db2.gz HJAZKLHRTLXRIP-OAHLLOKOSA-N 0 3 286.379 2.475 10 0 CEAEHN CCCn1c(C[C@H]2CNCCO2)nc2c1cccc2F ZINC000091293288 180123997 /nfs/dbraw/zinc/12/39/97/180123997.db2.gz RZHSJOWNEROFOV-NSHDSACASA-N 0 3 277.343 2.116 10 0 CEAEHN O=C(C[C@H]1CNCCO1)Nc1ccc2sccc2c1 ZINC000091299897 180126719 /nfs/dbraw/zinc/12/67/19/180126719.db2.gz LPXIPSCWCAKZGA-LBPRGKRZSA-N 0 3 276.361 2.218 10 0 CEAEHN C[C@H](NC1CC(O)C1)c1ccc(-n2ccnc2)cc1 ZINC000091428740 180152800 /nfs/dbraw/zinc/15/28/00/180152800.db2.gz VZJDOMNVDLYLFX-ZOODHJKOSA-N 0 3 257.337 2.046 10 0 CEAEHN CCNCc1cncc(Oc2c(OC)cccc2OC)n1 ZINC000091434146 180154161 /nfs/dbraw/zinc/15/41/61/180154161.db2.gz QQRUJFYVWSRLCB-UHFFFAOYSA-N 0 3 289.335 2.396 10 0 CEAEHN CN(CC1CC(O)C1)c1cccc(Cl)c1CN ZINC000091459652 180160906 /nfs/dbraw/zinc/16/09/06/180160906.db2.gz WWURPZMHMDCAFS-UHFFFAOYSA-N 0 3 254.761 2.006 10 0 CEAEHN CN(CC1CC(O)C1)c1ccc(Cl)cc1CN ZINC000091460285 180161454 /nfs/dbraw/zinc/16/14/54/180161454.db2.gz SQPKFSZMECSLGB-UHFFFAOYSA-N 0 3 254.761 2.006 10 0 CEAEHN Cc1cc([C@H](CN)N2CCOCC2)ccc1Br ZINC000091470359 180164873 /nfs/dbraw/zinc/16/48/73/180164873.db2.gz UNKKXULTLAUDGJ-ZDUSSCGKSA-N 0 3 299.212 2.090 10 0 CEAEHN CCCN[C@@H]([C@H](C)c1ccccn1)C(C)(C)S(C)(=O)=O ZINC000091383452 180144058 /nfs/dbraw/zinc/14/40/58/180144058.db2.gz NIPQURVMXNWOKW-OCCSQVGLSA-N 0 3 298.452 2.377 10 0 CEAEHN CN(c1cncc(CNC(C)(C)C)n1)[C@H]1CCSC1 ZINC000091419193 180150600 /nfs/dbraw/zinc/15/06/00/180150600.db2.gz JEWFJLJWXAXWBY-LBPRGKRZSA-N 0 3 280.441 2.306 10 0 CEAEHN CCNCc1cncc(N(C)[C@H](C)C(C)(C)C)n1 ZINC000091419830 180150840 /nfs/dbraw/zinc/15/08/40/180150840.db2.gz FCYIWQGKWBOOHB-LLVKDONJSA-N 0 3 250.390 2.457 10 0 CEAEHN CCn1nccc1[C@H](NC)C(C)(C)N1CCCCC1 ZINC000091564725 180193678 /nfs/dbraw/zinc/19/36/78/180193678.db2.gz NJXOMAHMRPXTRR-AWEZNQCLSA-N 0 3 264.417 2.428 10 0 CEAEHN CC(C)([C@H](N)c1ccc(F)cc1F)N1CCOCC1 ZINC000091566084 180193971 /nfs/dbraw/zinc/19/39/71/180193971.db2.gz ADTNMMDONYPANF-CYBMUJFWSA-N 0 3 270.323 2.075 10 0 CEAEHN CCN(CC)[C@@](C)(CC)[C@H](NC)c1cnccn1 ZINC000091599172 180202211 /nfs/dbraw/zinc/20/22/11/180202211.db2.gz ISSCSNQPDVWGKT-KGLIPLIRSA-N 0 3 250.390 2.248 10 0 CEAEHN CCN[C@H](c1ccnn1CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612786 180207452 /nfs/dbraw/zinc/20/74/52/180207452.db2.gz SJEDEGIJKMAENT-HZPDHXFCSA-N 0 3 294.443 2.055 10 0 CEAEHN CCN(CC(=O)N[C@H](C)CCC(C)C)CC(C)(C)O ZINC000091527939 180179478 /nfs/dbraw/zinc/17/94/78/180179478.db2.gz JFYJJJOMZHOKCK-CYBMUJFWSA-N 0 3 272.433 2.020 10 0 CEAEHN Cc1cc(F)cc(N2CC[C@H](NC(C)C)C2=O)c1 ZINC000091527225 180179636 /nfs/dbraw/zinc/17/96/36/180179636.db2.gz KVQYIHPNPZEEFF-ZDUSSCGKSA-N 0 3 250.317 2.237 10 0 CEAEHN CCCn1nccc1[C@@H](N)C(C)(C)N1CCCC1 ZINC000091533825 180181569 /nfs/dbraw/zinc/18/15/69/180181569.db2.gz ZGMYXAOZJJRIEI-CYBMUJFWSA-N 0 3 250.390 2.167 10 0 CEAEHN CCCn1ccnc1[C@H](NC)C(C)(C)N1CCCC1 ZINC000091534855 180182410 /nfs/dbraw/zinc/18/24/10/180182410.db2.gz SCWLTBXBXHUJHT-ZDUSSCGKSA-N 0 3 264.417 2.428 10 0 CEAEHN CC(C)CCC[C@@H](C)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000105028388 186038178 /nfs/dbraw/zinc/03/81/78/186038178.db2.gz LQJDHMNQYHWVQO-OLZOCXBDSA-N 0 3 268.401 2.327 10 0 CEAEHN N[C@@H](c1ccsc1)C1(N2CCOCC2)CCCC1 ZINC000091642852 180214203 /nfs/dbraw/zinc/21/42/03/180214203.db2.gz MYKOKJUBLRNJPD-ZDUSSCGKSA-N 0 3 266.410 2.393 10 0 CEAEHN CN[C@@H](c1ccco1)C1(N2CCOCC2)CCCC1 ZINC000091643191 180214361 /nfs/dbraw/zinc/21/43/61/180214361.db2.gz UKFQYYPEGSKFCW-AWEZNQCLSA-N 0 3 264.369 2.185 10 0 CEAEHN CCC1(CC)CSC(NC[C@@H]2CN3CCC[C@@H]3CO2)=N1 ZINC000091675474 180225135 /nfs/dbraw/zinc/22/51/35/180225135.db2.gz IJNCXQJHPBZPFO-CHWSQXEVSA-N 0 3 297.468 2.101 10 0 CEAEHN CCOc1ccc([C@H](NC)[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091721042 180235235 /nfs/dbraw/zinc/23/52/35/180235235.db2.gz CSHHRGVQWKBFKD-OIISXLGYSA-N 0 3 290.407 2.209 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccc(F)c(Cl)c1 ZINC000624235805 350239423 /nfs/dbraw/zinc/23/94/23/350239423.db2.gz PRGXRTREJVMIKY-CKLFPEKLSA-N 0 3 273.735 2.280 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1cccc(OC(F)F)c1 ZINC000624235547 350239682 /nfs/dbraw/zinc/23/96/82/350239682.db2.gz MEWUVVDVHMKWDO-TVYUQYBPSA-N 0 3 287.306 2.088 10 0 CEAEHN C[C@H](N)c1cccn1CC(=O)Nc1ccc(F)cc1 ZINC000091799854 180259481 /nfs/dbraw/zinc/25/94/81/180259481.db2.gz XTIXBHMDLIAGFJ-JTQLQIEISA-N 0 3 261.300 2.286 10 0 CEAEHN CCN([C@@H](C)COC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781960 180253907 /nfs/dbraw/zinc/25/39/07/180253907.db2.gz LXWFVAHORWFFAL-QWRGUYRKSA-N 0 3 269.341 2.484 10 0 CEAEHN CCN[C@@H]1CCCc2sc([C@H]3CN(C)CCO3)nc21 ZINC000091722552 180239860 /nfs/dbraw/zinc/23/98/60/180239860.db2.gz WQDKGVWAOGCJIM-GHMZBOCLSA-N 0 3 281.425 2.133 10 0 CEAEHN Cc1nc([C@H]2CN(C)CCO2)sc1CNC(C)(C)C ZINC000091723158 180242184 /nfs/dbraw/zinc/24/21/84/180242184.db2.gz NYKDYMGDIXIZLQ-LLVKDONJSA-N 0 3 283.441 2.343 10 0 CEAEHN Cc1noc(CCNCc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000105469788 186058472 /nfs/dbraw/zinc/05/84/72/186058472.db2.gz VWFOPPZJWQQODC-BXKDBHETSA-N 0 3 261.325 2.427 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)N(C)C1CCC(=O)CC1 ZINC000091854082 180273445 /nfs/dbraw/zinc/27/34/45/180273445.db2.gz AGMCRIYOIZOVSK-NSHDSACASA-N 0 3 268.401 2.123 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2cccs2)C1 ZINC000092052138 180312570 /nfs/dbraw/zinc/31/25/70/180312570.db2.gz JOKMTHCMDALDPN-NWDGAFQWSA-N 0 3 254.399 2.119 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2cc(C)oc2C)C1 ZINC000092052534 180313185 /nfs/dbraw/zinc/31/31/85/180313185.db2.gz MCWIXDMTEMNAHK-GXTWGEPZSA-N 0 3 266.385 2.268 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)nc1CNC ZINC000091994301 180300947 /nfs/dbraw/zinc/30/09/47/180300947.db2.gz DRZGBDWPWFEKLH-AAEUAGOBSA-N 0 3 293.411 2.182 10 0 CEAEHN CNCc1nc(C)ccc1OCc1c(Cl)c(C)nn1C ZINC000091994597 180301225 /nfs/dbraw/zinc/30/12/25/180301225.db2.gz FKYNXCZPGYAZCT-UHFFFAOYSA-N 0 3 294.786 2.384 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@@H]1CCCC[C@@H]1O ZINC000091994811 180301373 /nfs/dbraw/zinc/30/13/73/180301373.db2.gz VZRHPOBSBRXVSN-DZGCQCFKSA-N 0 3 264.369 2.182 10 0 CEAEHN Cc1ccc(OCc2nccn2C)c(CNC(C)C)n1 ZINC000091995635 180301825 /nfs/dbraw/zinc/30/18/25/180301825.db2.gz GQALFIPSUYUQLV-UHFFFAOYSA-N 0 3 274.368 2.201 10 0 CEAEHN Cc1ccc(OC[C@H](C)O)c(CNC(C)(C)C)n1 ZINC000091996003 180301930 /nfs/dbraw/zinc/30/19/30/180301930.db2.gz JHCMDFFYPWALHC-NSHDSACASA-N 0 3 252.358 2.038 10 0 CEAEHN Cc1ccc([O-])c(CN2CCC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000091996087 180302027 /nfs/dbraw/zinc/30/20/27/180302027.db2.gz OBDSOZFDDJPNSF-CQSZACIVSA-N 0 3 277.412 2.306 10 0 CEAEHN Cc1ccc(OCC(C)(C)O)c(CNC(C)C)n1 ZINC000091995548 180302095 /nfs/dbraw/zinc/30/20/95/180302095.db2.gz NVOFKGMBAQEXIY-UHFFFAOYSA-N 0 3 252.358 2.038 10 0 CEAEHN Cc1cc(CN)cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1C ZINC000092113697 180327432 /nfs/dbraw/zinc/32/74/32/180327432.db2.gz NRAXSONTJQBYGZ-RYUDHWBXSA-N 0 3 296.436 2.039 10 0 CEAEHN CNCc1c(N2C[C@@H](C)[C@H](C)C2)nc2sccn12 ZINC000092086489 180320673 /nfs/dbraw/zinc/32/06/73/180320673.db2.gz IRHCMQCFKSYCPV-NXEZZACHSA-N 0 3 264.398 2.207 10 0 CEAEHN C[C@@]1(NC[C@@H]2CSc3ccccc32)CCS(=O)(=O)C1 ZINC000092275307 180356507 /nfs/dbraw/zinc/35/65/07/180356507.db2.gz JFHVUADXTJAJIU-BXUZGUMPSA-N 0 3 297.445 2.043 10 0 CEAEHN CCCc1ccc([C@H](CN2C(=O)C[C@H](C)C2=O)NC)cc1 ZINC000105832684 186075789 /nfs/dbraw/zinc/07/57/89/186075789.db2.gz YKKVTOYRDMRPTG-WFASDCNBSA-N 0 3 288.391 2.295 10 0 CEAEHN CCN[C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(CC)cc1 ZINC000105832438 186076261 /nfs/dbraw/zinc/07/62/61/186076261.db2.gz KBWFZLUCQVQRQH-SWLSCSKDSA-N 0 3 288.391 2.295 10 0 CEAEHN CC(C)N1C(=O)C[C@H](N[C@@H](C)CCc2ccccc2)C1=O ZINC000105908584 186087007 /nfs/dbraw/zinc/08/70/07/186087007.db2.gz IFZDJLANDLMCBB-ZFWWWQNUSA-N 0 3 288.391 2.133 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(CCc3ccccn3)C2)c1 ZINC000105923472 186091501 /nfs/dbraw/zinc/09/15/01/186091501.db2.gz VATJGVMWLXYYNM-MRXNPFEDSA-N 0 3 270.380 2.466 10 0 CEAEHN Cc1cc(N[C@H]2C=CS(=O)(=O)C2)c2ccccc2n1 ZINC000106066183 186100464 /nfs/dbraw/zinc/10/04/64/186100464.db2.gz TYGOQUWBTCJGKC-NSHDSACASA-N 0 3 274.345 2.266 10 0 CEAEHN Cc1cc([N-]S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)ccn1 ZINC000092364746 180368181 /nfs/dbraw/zinc/36/81/81/180368181.db2.gz SIUOSEAJTPFDLV-LLVKDONJSA-N 0 3 291.376 2.211 10 0 CEAEHN CC[S@@](=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1NC ZINC000092388813 180374612 /nfs/dbraw/zinc/37/46/12/180374612.db2.gz POGZFPWHYHFSTR-DEYYWGMASA-N 0 3 267.394 2.039 10 0 CEAEHN CC(C)[C@H]1CO[C@H](c2ccc3c(c2)OCCO3)CN1 ZINC000092403377 180378440 /nfs/dbraw/zinc/37/84/40/180378440.db2.gz VSERRWYEDJBIOB-DOMZBBRYSA-N 0 3 263.337 2.143 10 0 CEAEHN CN(C)C[C@H]1CCCN1Cc1cc(Cl)ccn1 ZINC000092416638 180381174 /nfs/dbraw/zinc/38/11/74/180381174.db2.gz KOQCLOZZMFDSCS-CYBMUJFWSA-N 0 3 253.777 2.261 10 0 CEAEHN COc1cccc(CN(C)Cc2cc(N)ccn2)c1 ZINC000092418956 180381964 /nfs/dbraw/zinc/38/19/64/180381964.db2.gz OVUALPKXLOVOHX-UHFFFAOYSA-N 0 3 257.337 2.304 10 0 CEAEHN CCCOCCO[C@H]1CCc2ccc(OC)cc2[C@H]1N ZINC000092386827 180373583 /nfs/dbraw/zinc/37/35/83/180373583.db2.gz SEGWJKLDCYGKRA-JKSUJKDBSA-N 0 3 279.380 2.453 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](OC[C@@H]1CCOC1)CC2 ZINC000092386749 180373738 /nfs/dbraw/zinc/37/37/38/180373738.db2.gz NKMCYCAIZAOXHS-RLCCDNCMSA-N 0 3 277.364 2.063 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000107393248 186172788 /nfs/dbraw/zinc/17/27/88/186172788.db2.gz QSCBRGNYIFISLY-TZMCWYRMSA-N 0 3 261.369 2.093 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@@H](NCC2CCC(C)CC2)C1=O ZINC000109180707 186245142 /nfs/dbraw/zinc/24/51/42/186245142.db2.gz ZVSFXIDFXRKBHN-FKZOYECMSA-N 0 3 280.412 2.328 10 0 CEAEHN COC[C@@H](N)Cc1nc(-c2ccc(F)cc2Cl)no1 ZINC000109514453 186258108 /nfs/dbraw/zinc/25/81/08/186258108.db2.gz CWSXBRBWRWJRHJ-QMMMGPOBSA-N 0 3 285.706 2.045 10 0 CEAEHN COc1ccc(Cc2nc(NN)cc(C3CC3)n2)cc1 ZINC000109527470 186259910 /nfs/dbraw/zinc/25/99/10/186259910.db2.gz OLVOVUVGLATPAP-UHFFFAOYSA-N 0 3 270.336 2.239 10 0 CEAEHN COc1ccc(-c2nc(NN)cc(C3CC3)n2)cc1OC ZINC000109527375 186260127 /nfs/dbraw/zinc/26/01/27/186260127.db2.gz WBRVXQWWUKAAOX-UHFFFAOYSA-N 0 3 286.335 2.324 10 0 CEAEHN CNCc1cc(N2CCCOCC2)c2ccccc2n1 ZINC000109589542 186265120 /nfs/dbraw/zinc/26/51/20/186265120.db2.gz SMWFHEPOBUCYQU-UHFFFAOYSA-N 0 3 271.364 2.181 10 0 CEAEHN COc1cc(C)ccc1[C@@H](C)NCCc1nncn1C ZINC000109422492 186251291 /nfs/dbraw/zinc/25/12/91/186251291.db2.gz JFTUDSMPQVQISB-GFCCVEGCSA-N 0 3 274.368 2.025 10 0 CEAEHN CCCC(CCC)(C(N)=S)C(=O)N1CC[C@H](N(C)C)C1 ZINC000110272516 186289583 /nfs/dbraw/zinc/28/95/83/186289583.db2.gz IARPYAZZJMRVQW-LBPRGKRZSA-N 0 3 299.484 2.022 10 0 CEAEHN CCCc1nc(N2CC[C@H](N3CCCC3)C2)sc1CO ZINC000110276235 186290019 /nfs/dbraw/zinc/29/00/19/186290019.db2.gz ZIYUWOJEIYKUGV-LBPRGKRZSA-N 0 3 295.452 2.262 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2Cc1ccco1 ZINC000110629255 186307197 /nfs/dbraw/zinc/30/71/97/186307197.db2.gz DSMCPTWQBRDJIH-UHFFFAOYSA-N 0 3 261.256 2.408 10 0 CEAEHN CCOc1cc(N[C@H]2CCN(C3CC3)C2)c(N)cc1F ZINC000110634192 186307288 /nfs/dbraw/zinc/30/72/88/186307288.db2.gz DQOGYNSOAKXTED-JTQLQIEISA-N 0 3 279.359 2.455 10 0 CEAEHN CCOc1cc(N[C@@H]2CCN(C3CC3)C2)c(N)cc1F ZINC000110634189 186308013 /nfs/dbraw/zinc/30/80/13/186308013.db2.gz DQOGYNSOAKXTED-SNVBAGLBSA-N 0 3 279.359 2.455 10 0 CEAEHN CNCc1c(Oc2ccccc2CO)nc2ccccn21 ZINC000110994307 186341247 /nfs/dbraw/zinc/34/12/47/186341247.db2.gz OCKIPUSYVUGLML-UHFFFAOYSA-N 0 3 283.331 2.338 10 0 CEAEHN COC(=O)[C@](C)(CN(C)CC1CCCC1)NC(C)C ZINC000110841058 186328577 /nfs/dbraw/zinc/32/85/77/186328577.db2.gz YZVUDXKOKVZTRZ-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN C[C@@H](NCc1n[nH]nc1-c1ccccc1)[C@@H]1CCCO1 ZINC000110924514 186333715 /nfs/dbraw/zinc/33/37/15/186333715.db2.gz HJPSJKYYXRQLKD-RISCZKNCSA-N 0 3 272.352 2.129 10 0 CEAEHN C[C@@H](NCc1[nH]nnc1-c1ccccc1)[C@@H]1CCCO1 ZINC000110924514 186333716 /nfs/dbraw/zinc/33/37/16/186333716.db2.gz HJPSJKYYXRQLKD-RISCZKNCSA-N 0 3 272.352 2.129 10 0 CEAEHN COC[C@@H](C)NCCOc1ccccc1SC ZINC000110985756 186339211 /nfs/dbraw/zinc/33/92/11/186339211.db2.gz NHWBXXCDLXOLTF-LLVKDONJSA-N 0 3 255.383 2.412 10 0 CEAEHN COCCCN(CCOC)[C@@H](CN)c1ccc(C)c(F)c1 ZINC000110977544 186339218 /nfs/dbraw/zinc/33/92/18/186339218.db2.gz NGRPNKRCDZTRHT-INIZCTEOSA-N 0 3 298.402 2.119 10 0 CEAEHN CC[C@H]1CN(Cc2cc(N)ccc2Cl)CCN1C ZINC000110703462 186314219 /nfs/dbraw/zinc/31/42/19/186314219.db2.gz BDIBPJOUFAAFOQ-ZDUSSCGKSA-N 0 3 267.804 2.448 10 0 CEAEHN CC[C@@H]1CN([C@@H](CC(N)=S)c2ccccc2)CCN1C ZINC000110719992 186315231 /nfs/dbraw/zinc/31/52/31/186315231.db2.gz UFFVTNJQYBSOEI-CABCVRRESA-N 0 3 291.464 2.430 10 0 CEAEHN C[C@@H]1CCC(=O)[C@H](CN2CCN(C)C(C)(C)C2)C1 ZINC000110744123 186318456 /nfs/dbraw/zinc/31/84/56/186318456.db2.gz MICCIVTXSXIZMG-OLZOCXBDSA-N 0 3 252.402 2.018 10 0 CEAEHN C[C@@H]1CN(Cc2ccc(CNC(C)(C)C)o2)CCN1C ZINC000110751624 186319714 /nfs/dbraw/zinc/31/97/14/186319714.db2.gz ZJEVKSHXKWJVJX-CYBMUJFWSA-N 0 3 279.428 2.304 10 0 CEAEHN CC[C@@H]1CN(CCNc2ccc(F)cc2)CCN1C ZINC000110757547 186320164 /nfs/dbraw/zinc/32/01/64/186320164.db2.gz WENDORZBVIKKNW-OAHLLOKOSA-N 0 3 265.376 2.264 10 0 CEAEHN Cc1ccccc1[C@H](O)CCN1CCN(C)C(C)(C)C1 ZINC000110748210 186320553 /nfs/dbraw/zinc/32/05/53/186320553.db2.gz DEZJVPBPQUCZHY-MRXNPFEDSA-N 0 3 276.424 2.445 10 0 CEAEHN CCOC(CCN1C[C@@H](C)OC[C@@H]1CC)OCC ZINC000110785169 186324208 /nfs/dbraw/zinc/32/42/08/186324208.db2.gz FWWCMPFKHQBLKW-OLZOCXBDSA-N 0 3 259.390 2.275 10 0 CEAEHN CN(Cc1c(N)cccc1F)CC1CCOCC1 ZINC000111155490 186361754 /nfs/dbraw/zinc/36/17/54/186361754.db2.gz KDPDIYYKXIRTKZ-UHFFFAOYSA-N 0 3 252.333 2.266 10 0 CEAEHN CCCOCCO[C@H]1CCc2cc(OC)ccc2[C@H]1N ZINC000111107333 186352559 /nfs/dbraw/zinc/35/25/59/186352559.db2.gz MHKYYMZSHUYPKX-JKSUJKDBSA-N 0 3 279.380 2.453 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1ccccc1OCC ZINC000111117805 186355361 /nfs/dbraw/zinc/35/53/61/186355361.db2.gz UYDDKAJPXVAIRK-HNNXBMFYSA-N 0 3 280.412 2.444 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1cc(OC)ccc1OC ZINC000111117575 186355666 /nfs/dbraw/zinc/35/56/66/186355666.db2.gz UELCBJSYZQJHPD-OAHLLOKOSA-N 0 3 296.411 2.062 10 0 CEAEHN CCOCCN(CC)C[C@H](N)c1cc(C)ccc1OC ZINC000111118048 186355754 /nfs/dbraw/zinc/35/57/54/186355754.db2.gz FHWQKPFTZKDNEN-HNNXBMFYSA-N 0 3 280.412 2.362 10 0 CEAEHN NCc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)nc1 ZINC000111282168 186388034 /nfs/dbraw/zinc/38/80/34/186388034.db2.gz QCCKZUXCISNSDU-OAHLLOKOSA-N 0 3 273.380 2.335 10 0 CEAEHN C[C@@H](NC(=O)c1ccc(CN)cn1)c1ccc(F)cc1 ZINC000111281839 186388121 /nfs/dbraw/zinc/38/81/21/186388121.db2.gz XIWFMLCNGRHMIM-SNVBAGLBSA-N 0 3 273.311 2.170 10 0 CEAEHN CCc1ccc(NC(=O)c2ccc(CN)cn2)cc1 ZINC000111281122 186388224 /nfs/dbraw/zinc/38/82/24/186388224.db2.gz WKFFOTZAAVZXFH-UHFFFAOYSA-N 0 3 255.321 2.355 10 0 CEAEHN Cc1nc(Cl)c(C)c(N[C@@H]2CCCN(C)C2)n1 ZINC000111296780 186392879 /nfs/dbraw/zinc/39/28/79/186392879.db2.gz HLLBFVZJFMFLEL-SNVBAGLBSA-N 0 3 254.765 2.253 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1ccc(F)cc1C(F)(F)F ZINC000628467534 351108158 /nfs/dbraw/zinc/10/81/58/351108158.db2.gz XUMMCKWXZTZNMT-RYUDHWBXSA-N 0 3 293.260 2.084 10 0 CEAEHN C[C@@H](NCc1cnc(N(C)C)n1C)c1cccs1 ZINC000070142870 363035909 /nfs/dbraw/zinc/03/59/09/363035909.db2.gz YXIKQLHMFPKEEU-SNVBAGLBSA-N 0 3 264.398 2.398 10 0 CEAEHN CCN(C[C@H](O)COCc1ccccc1)C[C@H]1CCCO1 ZINC000070199100 363054421 /nfs/dbraw/zinc/05/44/21/363054421.db2.gz YWAHGJHPYMOXKR-DLBZAZTESA-N 0 3 293.407 2.065 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000121853194 187000293 /nfs/dbraw/zinc/00/02/93/187000293.db2.gz XHAIRCJQPKLOCY-AGIUHOORSA-N 0 3 296.436 2.290 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccncc1C ZINC000122076653 187014173 /nfs/dbraw/zinc/01/41/73/187014173.db2.gz OUSUWCFAHXBRHY-CYBMUJFWSA-N 0 3 276.384 2.338 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H]2CCc3c2cccc3F)C1 ZINC000253193914 539925249 /nfs/dbraw/zinc/92/52/49/539925249.db2.gz PHBXIVGITNREGF-LRDDRELGSA-N 0 3 278.371 2.123 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)CNc1ccccc1)N(C)C ZINC000153975745 188115036 /nfs/dbraw/zinc/11/50/36/188115036.db2.gz XCBLYAFOSAIBMU-HIFRSBDPSA-N 0 3 277.412 2.334 10 0 CEAEHN C[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1cccs1 ZINC000158683930 188389060 /nfs/dbraw/zinc/38/90/60/188389060.db2.gz WTLIRBNKHRZNSO-QWRGUYRKSA-N 0 3 252.383 2.014 10 0 CEAEHN O[C@@H]1CCCC[C@H]1[C@@H]1CCCN1Cc1ccon1 ZINC000337307833 366136830 /nfs/dbraw/zinc/13/68/30/366136830.db2.gz UTVLBJQUUFHMGI-MELADBBJSA-N 0 3 250.342 2.190 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc3c[nH]nc3c2)CCCCN1 ZINC000133177266 366202747 /nfs/dbraw/zinc/20/27/47/366202747.db2.gz XAURZQFSTOTEIG-AWEZNQCLSA-N 0 3 258.325 2.034 10 0 CEAEHN CSc1ccccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170861498 188698794 /nfs/dbraw/zinc/69/87/94/188698794.db2.gz SSGFIVBARPEBLS-NSHDSACASA-N 0 3 264.394 2.185 10 0 CEAEHN CCCCOC[C@H](O)CN(CC)Cc1ccoc1 ZINC000683993962 540214199 /nfs/dbraw/zinc/21/41/99/540214199.db2.gz WFMQILHMEMJUFV-CQSZACIVSA-N 0 3 255.358 2.279 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)NCCS2 ZINC000575572457 366296235 /nfs/dbraw/zinc/29/62/35/366296235.db2.gz VULFDIKRFFNVSB-CYBMUJFWSA-N 0 3 272.414 2.440 10 0 CEAEHN Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H]2C)N(C)C)cc1 ZINC000076077897 363518369 /nfs/dbraw/zinc/51/83/69/363518369.db2.gz RKTAYGHSYAXDQI-CFVMTHIKSA-N 0 3 275.396 2.305 10 0 CEAEHN COC(CN1CCC[C@H]1C[C@H](O)c1ccccc1)OC ZINC000136776279 366525809 /nfs/dbraw/zinc/52/58/09/366525809.db2.gz NFTZARVVKIZPOG-GJZGRUSLSA-N 0 3 279.380 2.193 10 0 CEAEHN C/C=C(\C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000685939280 540635226 /nfs/dbraw/zinc/63/52/26/540635226.db2.gz YNDLGRIKWYJKML-IPAKFSETSA-N 0 3 276.355 2.435 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@@](C)(N2CCC2)C1 ZINC000685961928 540662855 /nfs/dbraw/zinc/66/28/55/540662855.db2.gz YETGMSTZAGIDQB-CQSZACIVSA-N 0 3 254.374 2.482 10 0 CEAEHN Cc1nc(Cl)ccc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000151312460 366638589 /nfs/dbraw/zinc/63/85/89/366638589.db2.gz GZQMVRXHNNGSLI-JQWIXIFHSA-N 0 3 293.798 2.352 10 0 CEAEHN COc1ccc(F)c(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000176641334 189002790 /nfs/dbraw/zinc/00/27/90/189002790.db2.gz QXJHYMKFYGOFNE-NSHDSACASA-N 0 3 293.342 2.146 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1cccnc1 ZINC000176982368 189018841 /nfs/dbraw/zinc/01/88/41/189018841.db2.gz KEZBOUPQSIZZMB-ZFWWWQNUSA-N 0 3 275.396 2.128 10 0 CEAEHN COC(=O)[C@@H](C)CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000302364826 291220703 /nfs/dbraw/zinc/22/07/03/291220703.db2.gz BVGQDGZDTPNMRH-DTWKUNHWSA-N 0 3 267.291 2.458 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1nc(C)sc1C ZINC000178797183 189146709 /nfs/dbraw/zinc/14/67/09/189146709.db2.gz BAGGJMKKFFTYSD-CHWSQXEVSA-N 0 3 293.436 2.459 10 0 CEAEHN CC(C)COc1ccc([C@@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000179069919 189166575 /nfs/dbraw/zinc/16/65/75/189166575.db2.gz QCKKYQYLBTXPJX-IUODEOHRSA-N 0 3 276.380 2.261 10 0 CEAEHN O[C@@]12CCCC[C@@H]1CN(Cc1cnn3ccccc13)CC2 ZINC000179840228 189223354 /nfs/dbraw/zinc/22/33/54/189223354.db2.gz HHONUDSKDSPXJG-NVXWUHKLSA-N 0 3 285.391 2.461 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1Cc1cccn1C ZINC000180132643 189238563 /nfs/dbraw/zinc/23/85/63/189238563.db2.gz UJEWLRZZBNCHRT-OAHLLOKOSA-N 0 3 258.369 2.195 10 0 CEAEHN CCc1nc(C)c([C@H](C)N[C@@H]2CCc3ncnn3C2)s1 ZINC000180580811 189263767 /nfs/dbraw/zinc/26/37/67/189263767.db2.gz XGSUELXLKMNYFD-GXSJLCMTSA-N 0 3 291.424 2.271 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2F)C1 ZINC000152148243 366691778 /nfs/dbraw/zinc/69/17/78/366691778.db2.gz VWMCXSONLLWOSC-SECBINFHSA-N 0 3 270.735 2.255 10 0 CEAEHN CC(=O)NC[C@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1 ZINC000004172319 361304226 /nfs/dbraw/zinc/30/42/26/361304226.db2.gz SGZVEWGAZGOWGP-SRCQZFHVSA-N 0 3 297.402 2.264 10 0 in-man CEAEHN CCC(CC)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000153910389 366744069 /nfs/dbraw/zinc/74/40/69/366744069.db2.gz KJRKLQNEJPIJAO-GFCCVEGCSA-N 0 3 280.416 2.493 10 0 CEAEHN C[C@@H]1CCCN(Cc2cc(N)cc3c2OCOC3)C1 ZINC000011568549 361359122 /nfs/dbraw/zinc/35/91/22/361359122.db2.gz BCMAMDBKOBPWDK-LLVKDONJSA-N 0 3 262.353 2.367 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000083550269 363778580 /nfs/dbraw/zinc/77/85/80/363778580.db2.gz BJVCRCNVOZVOCJ-ZYHUDNBSSA-N 0 3 279.771 2.044 10 0 CEAEHN CN(C)C[C@H](NCc1ccn(C)c1)c1ccccc1 ZINC000091007233 364070081 /nfs/dbraw/zinc/07/00/81/364070081.db2.gz PHHKWLMJFNHBEF-INIZCTEOSA-N 0 3 257.381 2.418 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)nc1 ZINC000092627407 364090585 /nfs/dbraw/zinc/09/05/85/364090585.db2.gz RRJMRJPSJMAURC-LBPRGKRZSA-N 0 3 281.787 2.291 10 0 CEAEHN Cc1ccc(C)c(C(=O)CCC(=O)N2CCC[C@@H]2CN)c1 ZINC000237639310 370741423 /nfs/dbraw/zinc/74/14/23/370741423.db2.gz WWUGKUONOMJNCW-CQSZACIVSA-N 0 3 288.391 2.216 10 0 CEAEHN COC(=O)CC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000095076159 364333285 /nfs/dbraw/zinc/33/32/85/364333285.db2.gz XTZMGHKOJFYVIA-CQSZACIVSA-N 0 3 275.348 2.031 10 0 CEAEHN CCN(CCNC(=O)N[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000101976037 364581793 /nfs/dbraw/zinc/58/17/93/364581793.db2.gz MRTSUDOCCLIRRS-LBPRGKRZSA-N 0 3 279.384 2.433 10 0 CEAEHN c1cc(C2CCN(CCc3ccccn3)CC2)n[nH]1 ZINC000102949871 364620615 /nfs/dbraw/zinc/62/06/15/364620615.db2.gz OORUVQQHJBYZNP-UHFFFAOYSA-N 0 3 256.353 2.227 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NC[C@H]2CCc3ccccc32)C1 ZINC000111879882 364765871 /nfs/dbraw/zinc/76/58/71/364765871.db2.gz BNIMIIOLGBDWGV-CABCVRRESA-N 0 3 287.407 2.062 10 0 CEAEHN Cc1cccc(CCN2CCN3CCCC[C@H]3C2)n1 ZINC000335462813 364766243 /nfs/dbraw/zinc/76/62/43/364766243.db2.gz OCZXQMCKRIAOPE-INIZCTEOSA-N 0 3 259.397 2.103 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000113269788 364881876 /nfs/dbraw/zinc/88/18/76/364881876.db2.gz GRYAJAXCJHVINF-VXGBXAGGSA-N 0 3 278.400 2.036 10 0 CEAEHN O=C(CCN1CCCC[C@H]1c1cn[nH]c1)NC1CCCC1 ZINC000114484487 364948533 /nfs/dbraw/zinc/94/85/33/364948533.db2.gz PGEVKTQQPLLVFA-HNNXBMFYSA-N 0 3 290.411 2.386 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(CCCC(=O)OC)C1 ZINC000116399426 365054231 /nfs/dbraw/zinc/05/42/31/365054231.db2.gz WOFSURYALIQSOD-CYBMUJFWSA-N 0 3 279.384 2.036 10 0 CEAEHN COc1cccc(CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116407925 365054301 /nfs/dbraw/zinc/05/43/01/365054301.db2.gz FALKYRSHQWVSSK-AWEZNQCLSA-N 0 3 271.364 2.418 10 0 CEAEHN C[C@]1(C(=O)N2CCO[C@@H](c3ccccc3)C2)CCCCN1 ZINC000119070898 365211667 /nfs/dbraw/zinc/21/16/67/365211667.db2.gz LHPMWHMORAXNNU-NVXWUHKLSA-N 0 3 288.391 2.119 10 0 CEAEHN CCc1ccc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)o1 ZINC000120719177 365465866 /nfs/dbraw/zinc/46/58/66/365465866.db2.gz UWVDNLCLKBILAT-ZIAGYGMSSA-N 0 3 280.412 2.119 10 0 CEAEHN Cc1cccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1C ZINC000120611566 365451153 /nfs/dbraw/zinc/45/11/53/365451153.db2.gz YZWFFBWRMPTIMC-HUUCEWRRSA-N 0 3 276.424 2.190 10 0 CEAEHN Cc1cc(F)ccc1CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000120628595 365452724 /nfs/dbraw/zinc/45/27/24/365452724.db2.gz BTKXFLLTVWLNJN-ZIAGYGMSSA-N 0 3 280.387 2.021 10 0 CEAEHN COCCCCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000120850898 365483649 /nfs/dbraw/zinc/48/36/49/365483649.db2.gz RDHSCBSHKVZKRH-OAHLLOKOSA-N 0 3 278.396 2.222 10 0 CEAEHN OC1(CCN2CCOC3(C2)CCCCCC3)CC1 ZINC000336171137 365507913 /nfs/dbraw/zinc/50/79/13/365507913.db2.gz ILWQFUCCVVNCKC-UHFFFAOYSA-N 0 3 253.386 2.327 10 0 CEAEHN CCC[C@H](C(=O)NCCCOc1ccc(F)cc1)N(C)C ZINC000161832005 367115985 /nfs/dbraw/zinc/11/59/85/367115985.db2.gz KVYYWAWOUQINOC-OAHLLOKOSA-N 0 3 296.386 2.441 10 0 CEAEHN CCC[C@H](C(=O)NCCc1csc(CC)n1)N(C)C ZINC000161938106 367123002 /nfs/dbraw/zinc/12/30/02/367123002.db2.gz RNDNPBZWXMERNK-GFCCVEGCSA-N 0 3 283.441 2.095 10 0 CEAEHN Cc1cnn(CCNCc2cc(F)cc(F)c2)c1 ZINC000162042682 367132704 /nfs/dbraw/zinc/13/27/04/367132704.db2.gz TXWCTTNYCGIRRI-UHFFFAOYSA-N 0 3 251.280 2.260 10 0 CEAEHN Cc1cc(F)ccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171071554 367471607 /nfs/dbraw/zinc/47/16/07/367471607.db2.gz HBWGKMYABCJBFS-GFCCVEGCSA-N 0 3 265.332 2.302 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000170858166 367432399 /nfs/dbraw/zinc/43/23/99/367432399.db2.gz YBWOZXMXFPLAQE-MRXNPFEDSA-N 0 3 283.375 2.253 10 0 CEAEHN Cc1ccc(C)c(CC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170868690 367436307 /nfs/dbraw/zinc/43/63/07/367436307.db2.gz GUKDNGKVHZIITD-HNNXBMFYSA-N 0 3 260.381 2.008 10 0 CEAEHN O=C(N1CCN2CCC[C@H]2C1)C1(c2ccccc2)CC1 ZINC000171567268 367567902 /nfs/dbraw/zinc/56/79/02/367567902.db2.gz YUVCZXCAEIKCHI-HNNXBMFYSA-N 0 3 270.376 2.025 10 0 CEAEHN CN(c1cccnn1)C1CCN([C@H]2C=CCCC2)CC1 ZINC000171745986 367609062 /nfs/dbraw/zinc/60/90/62/367609062.db2.gz OBGFYDBNZJQLFV-HNNXBMFYSA-N 0 3 272.396 2.486 10 0 CEAEHN CCOC(=O)[C@@H](c1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000171930651 367641410 /nfs/dbraw/zinc/64/14/10/367641410.db2.gz BTUQOKMLIOGKCA-HZPDHXFCSA-N 0 3 288.391 2.071 10 0 CEAEHN CC[C@H]1CN(Cc2ccsc2)CCN1C[C@H](C)O ZINC000245754740 370870389 /nfs/dbraw/zinc/87/03/89/370870389.db2.gz OKIRQWFBGXVHDC-JSGCOSHPSA-N 0 3 268.426 2.025 10 0 CEAEHN C[C@@H](c1nc(C2CC2)no1)N1CCN2CCCC[C@@H]2C1 ZINC000172803248 367821260 /nfs/dbraw/zinc/82/12/60/367821260.db2.gz LBWWBGNYZQMMSP-WCQYABFASA-N 0 3 276.384 2.178 10 0 CEAEHN CSCCCN1CCCN(c2ccc(C)nn2)CC1 ZINC000172840915 367827084 /nfs/dbraw/zinc/82/70/84/367827084.db2.gz ZOTKHAOCONIAFY-UHFFFAOYSA-N 0 3 280.441 2.050 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(Cl)n2)CCN1C[C@@H](C)O ZINC000173677109 367932106 /nfs/dbraw/zinc/93/21/06/367932106.db2.gz FFJIBHJOGGPNJU-TZMCWYRMSA-N 0 3 297.830 2.012 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccccc1OC ZINC000175007052 368088872 /nfs/dbraw/zinc/08/88/72/368088872.db2.gz VYFWCTYBHDBWQR-ZIAGYGMSSA-N 0 3 288.391 2.394 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)cc1[O-] ZINC000175437758 368138227 /nfs/dbraw/zinc/13/82/27/368138227.db2.gz KJHOYPWTFAIJNA-ZIAGYGMSSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)cc1[O-] ZINC000175437758 368138232 /nfs/dbraw/zinc/13/82/32/368138232.db2.gz KJHOYPWTFAIJNA-ZIAGYGMSSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000176454964 368241388 /nfs/dbraw/zinc/24/13/88/368241388.db2.gz VMPKDQXGPWGFQS-GDBMZVCRSA-N 0 3 290.407 2.315 10 0 CEAEHN COc1ccc([C@H](C)CC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000176205435 368211928 /nfs/dbraw/zinc/21/19/28/368211928.db2.gz DIOVQKYEFQOTQY-UKRRQHHQSA-N 0 3 290.407 2.351 10 0 CEAEHN CCCCc1nc(CN2CCN3CCCC[C@H]3C2)no1 ZINC000246182060 370923174 /nfs/dbraw/zinc/92/31/74/370923174.db2.gz KQXQTNBZUIVSJO-ZDUSSCGKSA-N 0 3 278.400 2.082 10 0 CEAEHN FC(F)(F)c1cccnc1N1CCN2CCC[C@H]2C1 ZINC000246214700 370929305 /nfs/dbraw/zinc/92/93/05/370929305.db2.gz XMSRNGPZQPEBAO-JTQLQIEISA-N 0 3 271.286 2.385 10 0 CEAEHN CCSc1cccc(CN[C@@H]2CCc3ncnn3C2)c1 ZINC000185523078 368819154 /nfs/dbraw/zinc/81/91/54/368819154.db2.gz JXPXNCLLXJTBEA-CYBMUJFWSA-N 0 3 288.420 2.495 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2ccoc2)C12CCOCC2 ZINC000186267540 368947462 /nfs/dbraw/zinc/94/74/62/368947462.db2.gz RQVZROZUXNKELL-ZIAGYGMSSA-N 0 3 265.353 2.343 10 0 CEAEHN O=S1(=O)CCC[C@H](N[C@H]2CCc3ccccc32)CC1 ZINC000634950813 368985251 /nfs/dbraw/zinc/98/52/51/368985251.db2.gz DEFJVQQMOBXXSK-ZFWWWQNUSA-N 0 3 279.405 2.231 10 0 CEAEHN COc1cc(NC(=O)N2CCN3CCC[C@H]3C2)ccc1F ZINC000187045547 369090944 /nfs/dbraw/zinc/09/09/44/369090944.db2.gz AEQNDJGYKCNTBC-LBPRGKRZSA-N 0 3 293.342 2.146 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(F)c(OC)c2)C1 ZINC000187059528 369094967 /nfs/dbraw/zinc/09/49/67/369094967.db2.gz WQOGLWAKASHTMY-GFCCVEGCSA-N 0 3 295.358 2.440 10 0 CEAEHN CC[C@@](C)(O)CN1CCc2c(cccc2NC(C)=O)C1 ZINC000187332912 369140209 /nfs/dbraw/zinc/14/02/09/369140209.db2.gz SEGBFEBOHZSGJA-MRXNPFEDSA-N 0 3 276.380 2.164 10 0 CEAEHN CCc1ccccc1CN1CCC[C@@H]1C(=O)N(C)C ZINC000188819784 369414254 /nfs/dbraw/zinc/41/42/54/369414254.db2.gz RXVJGJFYJNCXLH-OAHLLOKOSA-N 0 3 260.381 2.302 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000189551527 369537743 /nfs/dbraw/zinc/53/77/43/369537743.db2.gz QDQLNZVTWKZKAW-LSDHHAIUSA-N 0 3 299.418 2.122 10 0 CEAEHN C[C@H]1CCN(Cc2ccc3ccccc3n2)[C@@H]1CO ZINC000189736638 369564964 /nfs/dbraw/zinc/56/49/64/369564964.db2.gz CGZJASHARVAFDT-BLLLJJGKSA-N 0 3 256.349 2.438 10 0 CEAEHN CCC(=O)CCN1CCC[C@H](n2ccnc2CC)C1 ZINC000190221969 369605259 /nfs/dbraw/zinc/60/52/59/369605259.db2.gz BUQPWEYYGFTIBL-ZDUSSCGKSA-N 0 3 263.385 2.452 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccoc2Cl)[C@@H](C)C1 ZINC000192338934 369797565 /nfs/dbraw/zinc/79/75/65/369797565.db2.gz XHTZTQFTXVOZLB-ONGXEEELSA-N 0 3 270.760 2.392 10 0 CEAEHN Cc1c(Cl)cccc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000194650895 370062540 /nfs/dbraw/zinc/06/25/40/370062540.db2.gz VSOLQQLTQKJVKJ-GFCCVEGCSA-N 0 3 296.798 2.051 10 0 CEAEHN O=C(N[C@H]1COc2ccccc21)C1CCN(C2CC2)CC1 ZINC000195393308 370128051 /nfs/dbraw/zinc/12/80/51/370128051.db2.gz ACSVTFQDXMXGEN-HNNXBMFYSA-N 0 3 286.375 2.111 10 0 CEAEHN CC(C)CC[C@@H](N)C(=O)N[C@H]1CCOc2ccccc21 ZINC000637883334 370145455 /nfs/dbraw/zinc/14/54/55/370145455.db2.gz ONXPKBUAQXFKIZ-KGLIPLIRSA-N 0 3 276.380 2.390 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccncc1F)c1ccccc1 ZINC000226215691 370330182 /nfs/dbraw/zinc/33/01/82/370330182.db2.gz LPOHASUNAQLUFB-HNNXBMFYSA-N 0 3 287.338 2.253 10 0 CEAEHN CCC[C@H](N)C(=O)NCC(C1CCC1)C1CCC1 ZINC000638454279 370543189 /nfs/dbraw/zinc/54/31/89/370543189.db2.gz GAZGQWUEFDSCJR-AWEZNQCLSA-N 0 3 252.402 2.446 10 0 CEAEHN CCC[C@H](N)C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000236796629 370629748 /nfs/dbraw/zinc/62/97/48/370629748.db2.gz HNFYJEWUCFKUTO-KGLIPLIRSA-N 0 3 268.401 2.064 10 0 CEAEHN CCS[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246886509 371025076 /nfs/dbraw/zinc/02/50/76/371025076.db2.gz DCQKQHKTNLHRCN-MGPQQGTHSA-N 0 3 299.484 2.396 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000246992516 371042769 /nfs/dbraw/zinc/04/27/69/371042769.db2.gz FHJFSRRVXARXLN-KFWWJZLASA-N 0 3 297.443 2.118 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H](SC)C2)C1 ZINC000247090679 371063400 /nfs/dbraw/zinc/06/34/00/371063400.db2.gz LZXIKHWQWZBKRG-HZSPNIEDSA-N 0 3 299.484 2.444 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(C[C@@H](C)c2ccccc2)C1 ZINC000247109604 371066049 /nfs/dbraw/zinc/06/60/49/371066049.db2.gz NFAQVBLVXAXWPX-CZUORRHYSA-N 0 3 260.381 2.391 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2ccccc2Cl)C[C@@H]1C ZINC000247737073 371139146 /nfs/dbraw/zinc/13/91/46/371139146.db2.gz MXPOFHOIRXIEET-STQMWFEESA-N 0 3 282.815 2.227 10 0 CEAEHN Cc1cc(C)cc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247742503 371140045 /nfs/dbraw/zinc/14/00/45/371140045.db2.gz NXAIZPBCOVDUKM-HOTGVXAUSA-N 0 3 276.424 2.190 10 0 CEAEHN C[C@@H](c1ccc(F)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000247379522 371101167 /nfs/dbraw/zinc/10/11/67/371101167.db2.gz VRNJQLJQIBMKNY-WFASDCNBSA-N 0 3 266.360 2.149 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC000247409763 371104091 /nfs/dbraw/zinc/10/40/91/371104091.db2.gz RPUSSNZTIJQBMX-CMPLNLGQSA-N 0 3 293.436 2.479 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000248397524 371185623 /nfs/dbraw/zinc/18/56/23/371185623.db2.gz LWUGTRHGNRWOFI-GHMZBOCLSA-N 0 3 291.317 2.006 10 0 CEAEHN CN(C)c1ccccc1CN1CCN2CCCC[C@H]2C1 ZINC000248344041 371177147 /nfs/dbraw/zinc/17/71/47/371177147.db2.gz LBLRTRVVKBABHS-INIZCTEOSA-N 0 3 273.424 2.423 10 0 CEAEHN C[C@H](O)CN1CCN(CCCCc2ccccc2)C[C@@H]1C ZINC000248567278 371214055 /nfs/dbraw/zinc/21/40/55/371214055.db2.gz PEVLNSMMVWNTDS-IRXDYDNUSA-N 0 3 290.451 2.396 10 0 CEAEHN CC[C@H](C)[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000248593022 371218407 /nfs/dbraw/zinc/21/84/07/371218407.db2.gz SDTLDEONPBIQRB-CRWXNKLISA-N 0 3 252.402 2.364 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000248662224 371233093 /nfs/dbraw/zinc/23/30/93/371233093.db2.gz YCMHUTJTNKRXQK-HZPDHXFCSA-N 0 3 295.427 2.006 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000248734991 371239062 /nfs/dbraw/zinc/23/90/62/371239062.db2.gz KPGRUFWZZMDSHI-BMFZPTHFSA-N 0 3 287.407 2.216 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1)[C@@H]1CCCO1 ZINC000248857257 371256631 /nfs/dbraw/zinc/25/66/31/371256631.db2.gz PIIKNFXKZKBLSU-FQLMCAECSA-N 0 3 290.407 2.409 10 0 CEAEHN Cn1cc([C@H]2CCCN2C[C@@H](O)CC2CCCC2)cn1 ZINC000248990127 371278711 /nfs/dbraw/zinc/27/87/11/371278711.db2.gz XYMBLBRQXKLRJY-JKSUJKDBSA-N 0 3 277.412 2.498 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@H](C)c2cnn(C)c2)C12CCOCC2 ZINC000248973202 371277850 /nfs/dbraw/zinc/27/78/50/371277850.db2.gz HAHVAGZKCQCXPC-VHDGCEQUSA-N 0 3 293.411 2.045 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCN2C)[C@H]1C ZINC000249742689 371358189 /nfs/dbraw/zinc/35/81/89/371358189.db2.gz JVFBHZOVBCRDIC-RQJABVFESA-N 0 3 267.417 2.205 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCN2C)[C@H]1C ZINC000249742683 371358403 /nfs/dbraw/zinc/35/84/03/371358403.db2.gz JVFBHZOVBCRDIC-RFGFWPKPSA-N 0 3 267.417 2.205 10 0 CEAEHN C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@H]1O ZINC000251544477 371406058 /nfs/dbraw/zinc/40/60/58/371406058.db2.gz GQGXIPRZHNEQHE-BLLLJJGKSA-N 0 3 256.349 2.438 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1CC(=O)c1ccccc1F ZINC000251813020 371416741 /nfs/dbraw/zinc/41/67/41/371416741.db2.gz OOULKZKZKJOKIQ-OLZOCXBDSA-N 0 3 276.355 2.177 10 0 CEAEHN C[C@H](C(=O)NCCC[C@@H]1CCC[C@H]1O)N1[C@H](C)CC[C@@H]1C ZINC000252512501 371451292 /nfs/dbraw/zinc/45/12/92/371451292.db2.gz RLLXSWKHUIZCPA-DGADGQDISA-N 0 3 296.455 2.305 10 0 CEAEHN C[C@@H]1C[C@H](O)CCN1C[C@H]1CCC2(CCCC2)O1 ZINC000639938650 371687581 /nfs/dbraw/zinc/68/75/81/371687581.db2.gz HIQWKIPFERLQDG-MGPQQGTHSA-N 0 3 253.386 2.323 10 0 CEAEHN CCOCCN1CCN(Cc2cccc(N)c2)C[C@@H]1CC ZINC000261655911 371694534 /nfs/dbraw/zinc/69/45/34/371694534.db2.gz IJGPTHHRQNTRPX-KRWDZBQOSA-N 0 3 291.439 2.202 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)[C@@H](N)C1CCOCC1 ZINC000261860819 371752996 /nfs/dbraw/zinc/75/29/96/371752996.db2.gz SGJWGSHMCZHVLO-JSGCOSHPSA-N 0 3 270.417 2.071 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cc(C)cc(C)c2)CCCN1 ZINC000643615320 373222485 /nfs/dbraw/zinc/22/24/85/373222485.db2.gz GXSHFSBLVYILLW-OAHLLOKOSA-N 0 3 262.353 2.011 10 0 CEAEHN C[C@H](NC(=O)[C@H]1CNCCC1(F)F)c1cccs1 ZINC000644016490 373340139 /nfs/dbraw/zinc/34/01/39/373340139.db2.gz XEWZOOVJYWSDPL-DTWKUNHWSA-N 0 3 274.336 2.170 10 0 CEAEHN CCN1CC[C@@H](NCc2cccc3c2OCCCO3)C1 ZINC000389456890 375304391 /nfs/dbraw/zinc/30/43/91/375304391.db2.gz RMPGYSJZGJOIOB-CQSZACIVSA-N 0 3 276.380 2.032 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)cc1Cl ZINC000282327646 375457467 /nfs/dbraw/zinc/45/74/67/375457467.db2.gz LKPXAGSYYLIFEU-ZWNOBZJWSA-N 0 3 266.772 2.405 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccccc1Cl ZINC000282471623 375492759 /nfs/dbraw/zinc/49/27/59/375492759.db2.gz UTSDMBXTNCMHAU-SKDRFNHKSA-N 0 3 252.745 2.097 10 0 CEAEHN Cc1nnc(N[C@@H](C)CN(C)Cc2ccccc2)nc1C ZINC000309792761 376605959 /nfs/dbraw/zinc/60/59/59/376605959.db2.gz IALAJPXHTCNDGZ-LBPRGKRZSA-N 0 3 285.395 2.421 10 0 CEAEHN CC(C)[C@@H]1CNCCN1c1cncc(Br)c1 ZINC000301014192 379180840 /nfs/dbraw/zinc/18/08/40/379180840.db2.gz YFNPEJNHJNUMGX-LBPRGKRZSA-N 0 3 284.201 2.278 10 0 CEAEHN CC[C@@H](CO)N1CCN(c2ccnc3c(C)cccc23)CC1 ZINC000301661306 379294802 /nfs/dbraw/zinc/29/48/02/379294802.db2.gz JNNWKHOZJMUFDB-HNNXBMFYSA-N 0 3 299.418 2.436 10 0 CEAEHN CC[C@](C)(O)CN1CCN(c2ccccc2F)C[C@@H]1C ZINC000191620041 542343009 /nfs/dbraw/zinc/34/30/09/542343009.db2.gz KTFAZBPFXWZXQJ-BBRMVZONSA-N 0 3 280.387 2.497 10 0 CEAEHN CC[C@@H](C)CN(C)S(=O)(=O)c1cc(CN)c(C)cc1C ZINC000088952474 184615246 /nfs/dbraw/zinc/61/52/46/184615246.db2.gz LQJQGKZVKKSEBU-LLVKDONJSA-N 0 3 298.452 2.429 10 0 CEAEHN CN[C@H](CSC1COC1)c1cc(C)ccc1OC ZINC000092712679 184622090 /nfs/dbraw/zinc/62/20/90/184622090.db2.gz GUCUMBUQEGSHRA-CYBMUJFWSA-N 0 3 267.394 2.396 10 0 CEAEHN Cc1c(C(=O)N[C@H](CN(C)C)c2ccccc2)ccn1C ZINC000194993001 542363622 /nfs/dbraw/zinc/36/36/22/542363622.db2.gz LDYHHDWQRSWAFA-MRXNPFEDSA-N 0 3 285.391 2.366 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000177713900 285241364 /nfs/dbraw/zinc/24/13/64/285241364.db2.gz IHWWLASPJNBARJ-JKSUJKDBSA-N 0 3 295.471 2.194 10 0 CEAEHN CCS(=O)(=O)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1N ZINC000081925772 177898228 /nfs/dbraw/zinc/89/82/28/177898228.db2.gz VUQXMGXINABUFC-IHRRRGAJSA-N 0 3 267.394 2.085 10 0 CEAEHN Cc1ccnc(S[C@@H]2COc3ccccc3[C@@H]2N)n1 ZINC000081876922 177871550 /nfs/dbraw/zinc/87/15/50/177871550.db2.gz BYXOFVWPIVDCCO-OLZOCXBDSA-N 0 3 273.361 2.338 10 0 CEAEHN CCCN[C@@H](c1cnccc1C)[C@H]1CN(CC)CCO1 ZINC000093915519 184742297 /nfs/dbraw/zinc/74/22/97/184742297.db2.gz HAHLRXRAZCCPAD-CVEARBPZSA-N 0 3 277.412 2.151 10 0 CEAEHN CCNCc1ccn([C@H]2CCO[C@@]3(CCSC3)C2)n1 ZINC000094414715 184794908 /nfs/dbraw/zinc/79/49/08/184794908.db2.gz OMLZDBFNKDAYBA-KBPBESRZSA-N 0 3 281.425 2.220 10 0 CEAEHN NCc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000094758814 184854945 /nfs/dbraw/zinc/85/49/45/184854945.db2.gz HNXMLSGTXBQTMB-LLVKDONJSA-N 0 3 273.302 2.315 10 0 CEAEHN CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H](N2CCC(C)(C)C2)C1 ZINC000094809797 184871973 /nfs/dbraw/zinc/87/19/73/184871973.db2.gz MYDBCNZENVWJQV-SWLSCSKDSA-N 0 3 268.401 2.092 10 0 CEAEHN Cc1cccc2nc(N3CCNCc4ccccc43)nn21 ZINC000094607826 184825411 /nfs/dbraw/zinc/82/54/11/184825411.db2.gz RRQWOZVEFRVQDH-UHFFFAOYSA-N 0 3 279.347 2.279 10 0 CEAEHN CCc1ccsc1CN[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000094876161 184885335 /nfs/dbraw/zinc/88/53/35/184885335.db2.gz MKKJYUIJPSJFPC-DGCLKSJQSA-N 0 3 287.450 2.366 10 0 CEAEHN C[C@H](c1c(F)cccc1F)N1CCO[C@@H](CN(C)C)C1 ZINC000247038935 299619507 /nfs/dbraw/zinc/61/95/07/299619507.db2.gz DPPGXZSLFKKZJO-NEPJUHHUSA-N 0 3 284.350 2.288 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000191717858 130286508 /nfs/dbraw/zinc/28/65/08/130286508.db2.gz QKQXZNGNTPFZQV-BBRMVZONSA-N 0 3 290.407 2.180 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000262526114 131229960 /nfs/dbraw/zinc/22/99/60/131229960.db2.gz GMBIYAVHSHWBSY-GVARAGBVSA-N 0 3 296.386 2.391 10 0 CEAEHN CCC[C@@](C)(N)C(=O)Nc1cccc(C[S@@](C)=O)c1C ZINC000262646657 131246263 /nfs/dbraw/zinc/24/62/63/131246263.db2.gz SEXHYXUDIAKBDJ-FOIQADDNSA-N 0 3 296.436 2.330 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000262708607 131254584 /nfs/dbraw/zinc/25/45/84/131254584.db2.gz OBYBWYNJEDXUIV-CZUORRHYSA-N 0 3 295.427 2.296 10 0 CEAEHN C[C@@H]1CCc2ccccc2N1c1cncc(CN)n1 ZINC000091418478 135069543 /nfs/dbraw/zinc/06/95/43/135069543.db2.gz ACJCBUXQZLEQFW-LLVKDONJSA-N 0 3 254.337 2.408 10 0 CEAEHN Cc1cnc(Cl)nc1N1CCN(CC(C)C)CC1 ZINC000091658970 135072910 /nfs/dbraw/zinc/07/29/10/135072910.db2.gz FRQDFWCBUOSIGN-UHFFFAOYSA-N 0 3 268.792 2.216 10 0 CEAEHN COCC1CCN(c2cccc(F)c2CN)CC1 ZINC000093395501 135080539 /nfs/dbraw/zinc/08/05/39/135080539.db2.gz MZVRJLUBNZZWNP-UHFFFAOYSA-N 0 3 252.333 2.147 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc([C@H](C)O)c(O)c2)CC1 ZINC000093672550 135081999 /nfs/dbraw/zinc/08/19/99/135081999.db2.gz GKSYMZHEADGRLG-STQMWFEESA-N 0 3 278.396 2.366 10 0 CEAEHN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2CN)C[C@@H](C)O1 ZINC000094334031 135085985 /nfs/dbraw/zinc/08/59/85/135085985.db2.gz FCOBLJTVGIWLJE-RKDXNWHRSA-N 0 3 289.301 2.173 10 0 CEAEHN C[C@@H](O)c1ccccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439803 135087820 /nfs/dbraw/zinc/08/78/20/135087820.db2.gz IXMMKCDNENOTGX-ZIAGYGMSSA-N 0 3 260.381 2.414 10 0 CEAEHN COc1cc2c(cc1CN[C@@H]1CCC[C@@H](O)C1)O[C@@H](C)C2 ZINC000219464070 394460290 /nfs/dbraw/zinc/46/02/90/394460290.db2.gz IKTDYMZVPJUUPI-NILFDRSVSA-N 0 3 291.391 2.412 10 0 CEAEHN O=C(CCN1CCO[C@H]2CCCC[C@@H]21)NC1CCCC1 ZINC000052441769 394558307 /nfs/dbraw/zinc/55/83/07/394558307.db2.gz ZLNPTKYTBUOMDH-GJZGRUSLSA-N 0 3 280.412 2.079 10 0 CEAEHN C[C@H]1C[C@H](CCN2CCN3C(=O)NC[C@H]3C2)C[C@@H](C)C1 ZINC000247269666 394528234 /nfs/dbraw/zinc/52/82/34/394528234.db2.gz JVYUKUAZSOHGQR-YJNKXOJESA-N 0 3 279.428 2.158 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ncc(C)s2)C1 ZINC000049210938 394542917 /nfs/dbraw/zinc/54/29/17/394542917.db2.gz UNNWKSQUHLTBEF-SNVBAGLBSA-N 0 3 268.386 2.057 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2nc(C)cs2)C1 ZINC000049210935 394543397 /nfs/dbraw/zinc/54/33/97/394543397.db2.gz MKYYTQJOFQMDEU-JTQLQIEISA-N 0 3 268.386 2.057 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CCCCN2)[C@H]1C ZINC000248582207 394543843 /nfs/dbraw/zinc/54/38/43/394543843.db2.gz FNZSMTANKFFBQF-UKTARXLSSA-N 0 3 252.402 2.460 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Cc2cnc3ccccc3c2)C1 ZINC000130747822 394895528 /nfs/dbraw/zinc/89/55/28/394895528.db2.gz SZOSNZMVMQHOMB-MRXNPFEDSA-N 0 3 297.402 2.378 10 0 CEAEHN CCCCOC(=O)CCN1CC[C@H](Oc2cccnc2)C1 ZINC000152303797 394992450 /nfs/dbraw/zinc/99/24/50/394992450.db2.gz QVVBGGQMTACJJO-HNNXBMFYSA-N 0 3 292.379 2.268 10 0 CEAEHN CN(CCN(C)Cc1ccc(F)cc1)Cc1cnn(C)c1 ZINC000158383305 395043822 /nfs/dbraw/zinc/04/38/22/395043822.db2.gz KUGCQKBANOVFKO-UHFFFAOYSA-N 0 3 290.386 2.123 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCOC(C)(C)C ZINC000376514340 395123136 /nfs/dbraw/zinc/12/31/36/395123136.db2.gz YBHMTLPJLLMOQG-KBPBESRZSA-N 0 3 254.418 2.360 10 0 CEAEHN Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ncnn2C1 ZINC000180605452 395204975 /nfs/dbraw/zinc/20/49/75/395204975.db2.gz DATCQENWQNGASI-OCCSQVGLSA-N 0 3 272.327 2.009 10 0 CEAEHN CCc1nc(C)c([C@H](C)N[C@H]2CCc3ncnn3C2)s1 ZINC000180580846 395205057 /nfs/dbraw/zinc/20/50/57/395205057.db2.gz XGSUELXLKMNYFD-ONGXEEELSA-N 0 3 291.424 2.271 10 0 CEAEHN Cc1cc(CN2C[C@@H]3CCCN3C[C@@H]2C)sn1 ZINC000404316404 395281000 /nfs/dbraw/zinc/28/10/00/395281000.db2.gz OPRRNQBCYYBLAI-RYUDHWBXSA-N 0 3 251.399 2.120 10 0 CEAEHN CC(C)(CN1CC[C@@H]2OCCN[C@H]2C1)c1ccccc1 ZINC000647541087 395730540 /nfs/dbraw/zinc/73/05/40/395730540.db2.gz ZUEYKVPEELSRCZ-HOTGVXAUSA-N 0 3 274.408 2.027 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000049185139 400224682 /nfs/dbraw/zinc/22/46/82/400224682.db2.gz LKUIICNVPWYEEJ-JBLDHEPKSA-N 0 3 254.399 2.169 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)CN(C)C[C@@H]1CCCN1CC ZINC000175333868 400287549 /nfs/dbraw/zinc/28/75/49/400287549.db2.gz QUNJNCRBVGJPAM-CVEARBPZSA-N 0 3 295.471 2.194 10 0 CEAEHN CN1CCC(Nc2cnc3ccc(O)cc3c2)CC1 ZINC000218910723 400309430 /nfs/dbraw/zinc/30/94/30/400309430.db2.gz DRERPFXMGHZHED-UHFFFAOYSA-N 0 3 257.337 2.447 10 0 CEAEHN CC(=O)CC(C)(C)CC(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000191850178 153193159 /nfs/dbraw/zinc/19/31/59/153193159.db2.gz JTTNHIPCRSRJCO-GXTWGEPZSA-N 0 3 280.412 2.077 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(O)c1)CC2 ZINC000194921837 153273643 /nfs/dbraw/zinc/27/36/43/153273643.db2.gz QRKNFFVJZOZUEM-AAEUAGOBSA-N 0 3 286.379 2.212 10 0 CEAEHN CCN(CCNc1nc(OC)ncc1Cl)C1CC1 ZINC000225354420 153328826 /nfs/dbraw/zinc/32/88/26/153328826.db2.gz WANJANMZHZETOD-UHFFFAOYSA-N 0 3 270.764 2.035 10 0 CEAEHN CCCn1ccc(CNCC[C@@H](C)[S@@](C)=O)c1 ZINC000229790514 153377231 /nfs/dbraw/zinc/37/72/31/153377231.db2.gz IWXBJAFETFIGGP-SJKOYZFVSA-N 0 3 256.415 2.145 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc(F)cc2Cl)n1 ZINC000263246512 154041733 /nfs/dbraw/zinc/04/17/33/154041733.db2.gz PIEZVUALAQVTQZ-LLVKDONJSA-N 0 3 296.733 2.105 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)CCC2CC2)C1 ZINC000263537240 154123142 /nfs/dbraw/zinc/12/31/42/154123142.db2.gz ZZIJJKPMAWCZGJ-XGNXJENSSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCC2CC2)C1 ZINC000263537240 154123151 /nfs/dbraw/zinc/12/31/51/154123151.db2.gz ZZIJJKPMAWCZGJ-XGNXJENSSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCC2CC2)C1 ZINC000263537240 154123157 /nfs/dbraw/zinc/12/31/57/154123157.db2.gz ZZIJJKPMAWCZGJ-XGNXJENSSA-N 0 3 268.401 2.092 10 0 CEAEHN CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@H]1O ZINC000352661004 154327095 /nfs/dbraw/zinc/32/70/95/154327095.db2.gz QBHYGMOVFNRECL-JKSUJKDBSA-N 0 3 271.364 2.218 10 0 CEAEHN CC[C@@H](OC1CCCC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171976328 162394086 /nfs/dbraw/zinc/39/40/86/162394086.db2.gz XLOPTFOIFNYPJC-UKRRQHHQSA-N 0 3 280.412 2.031 10 0 CEAEHN C[C@@H](c1nc(C(C)(C)C)no1)N1CCN2CCC[C@@H]2C1 ZINC000171639357 165051057 /nfs/dbraw/zinc/05/10/57/165051057.db2.gz BQBNYXFVOFQTNO-NWDGAFQWSA-N 0 3 278.400 2.208 10 0 CEAEHN CCCCCC[C@H](C)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173792229 165081934 /nfs/dbraw/zinc/08/19/34/165081934.db2.gz FYDMZJAJRBHZFW-GJZGRUSLSA-N 0 3 284.444 2.382 10 0 CEAEHN Clc1ccccc1CCN1CC[C@@H](N2CCOCC2)C1 ZINC000173935934 165090072 /nfs/dbraw/zinc/09/00/72/165090072.db2.gz OXAGGCZZTJYOQQ-OAHLLOKOSA-N 0 3 294.826 2.289 10 0 CEAEHN C(=C/c1ccccc1)\CN1CC[C@@H](N2CCOCC2)C1 ZINC000173951284 165090413 /nfs/dbraw/zinc/09/04/13/165090413.db2.gz GQFVCXSLEKMQFF-BBOMDTFKSA-N 0 3 272.392 2.106 10 0 CEAEHN CCc1onc(C)c1C(=O)N(C)C[C@H]1CCCN1CC ZINC000175543436 165137796 /nfs/dbraw/zinc/13/77/96/165137796.db2.gz XABCMSWLOSNENC-GFCCVEGCSA-N 0 3 279.384 2.102 10 0 CEAEHN CCOc1cccnc1C(=O)N(C)C[C@H]1CCCN1CC ZINC000176556214 165167074 /nfs/dbraw/zinc/16/70/74/165167074.db2.gz WFLRPMNRIYJXDE-CYBMUJFWSA-N 0 3 291.395 2.037 10 0 CEAEHN CC(C)(O)CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183354724 165390838 /nfs/dbraw/zinc/39/08/38/165390838.db2.gz JZDSHGKKLRHMOI-CYBMUJFWSA-N 0 3 253.317 2.050 10 0 CEAEHN COc1cc(OC)c([C@@H](CN)N2CCCCC2)cc1OC ZINC000019261639 170762135 /nfs/dbraw/zinc/76/21/35/170762135.db2.gz RAADSOUXZHHBIY-CYBMUJFWSA-N 0 3 294.395 2.198 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)NC1CCCCCC1 ZINC000020189474 171055277 /nfs/dbraw/zinc/05/52/77/171055277.db2.gz WNUUHPYMAOOTPK-UHFFFAOYSA-N 0 3 296.436 2.455 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)NC1CCCCC1 ZINC000020189364 171056171 /nfs/dbraw/zinc/05/61/71/171056171.db2.gz CZTDNEMJBRXAKT-UHFFFAOYSA-N 0 3 282.409 2.065 10 0 CEAEHN C=COCCCNCc1cc2ccccc2[nH]c1=O ZINC000020197811 171061912 /nfs/dbraw/zinc/06/19/12/171061912.db2.gz WLTPYDFSYJGSPS-UHFFFAOYSA-N 0 3 258.321 2.168 10 0 CEAEHN CCOc1ccccc1[C@@H](CN)N1CCSCC1 ZINC000020257043 171111691 /nfs/dbraw/zinc/11/16/91/171111691.db2.gz VMXPBPKXKJXCIP-CYBMUJFWSA-N 0 3 266.410 2.134 10 0 CEAEHN CSc1ccc([C@H](CN)N2CCSCC2)cc1 ZINC000020523758 171236450 /nfs/dbraw/zinc/23/64/50/171236450.db2.gz DCKHNEDFDWNLPB-ZDUSSCGKSA-N 0 3 268.451 2.457 10 0 CEAEHN CCc1ccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022161518 171364197 /nfs/dbraw/zinc/36/41/97/171364197.db2.gz LUMMBBHADOSUPE-DVOMOZLQSA-N 0 3 262.397 2.358 10 0 CEAEHN Cc1cccc(NC(=O)COc2ccccc2CN)c1 ZINC000022161648 171364257 /nfs/dbraw/zinc/36/42/57/171364257.db2.gz FLUZZBTVJTXGJE-UHFFFAOYSA-N 0 3 270.332 2.471 10 0 CEAEHN NCc1ccccc1NC(=O)COc1cccc(F)c1 ZINC000022166444 171366253 /nfs/dbraw/zinc/36/62/53/171366253.db2.gz SRTGUQWXLONUDS-UHFFFAOYSA-N 0 3 274.295 2.302 10 0 CEAEHN CCN1CCN([C@@H](C(C)C)[C@H](N)c2ccccc2)CC1 ZINC000022566047 171391653 /nfs/dbraw/zinc/39/16/53/171391653.db2.gz NZGHQZYQSJCRKU-SJORKVTESA-N 0 3 275.440 2.349 10 0 CEAEHN CC(C)(CO)NCC(=O)Nc1c(Cl)cccc1Cl ZINC000035159921 172018017 /nfs/dbraw/zinc/01/80/17/172018017.db2.gz RJSZOMNXIUJJCF-UHFFFAOYSA-N 0 3 291.178 2.292 10 0 CEAEHN CCCN(c1nc2sccn2c1CN)C1CC1 ZINC000035430163 172198946 /nfs/dbraw/zinc/19/89/46/172198946.db2.gz UICNZJQUENRYFS-UHFFFAOYSA-N 0 3 250.371 2.233 10 0 CEAEHN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N ZINC000035571729 172267409 /nfs/dbraw/zinc/26/74/09/172267409.db2.gz KBMATORPRKJBNN-QWHCGFSZSA-N 0 3 292.379 2.357 10 0 CEAEHN C[C@H](NCC(=O)Nc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000035735817 172388561 /nfs/dbraw/zinc/38/85/61/172388561.db2.gz QFQFPHFETRRDHJ-GXFFZTMASA-N 0 3 282.771 2.436 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc3cc(F)ccc3s2)C1 ZINC000037205133 173027658 /nfs/dbraw/zinc/02/76/58/173027658.db2.gz PWPGGJIZUWAGER-SCZZXKLOSA-N 0 3 252.314 2.485 10 0 CEAEHN COc1nc2sccn2c1CNCC1CCC1 ZINC000037253669 173064696 /nfs/dbraw/zinc/06/46/96/173064696.db2.gz FSWQERJQXVECOD-UHFFFAOYSA-N 0 3 251.355 2.294 10 0 CEAEHN CNC(=O)CN[C@H](c1cccs1)C1CCCC1 ZINC000037254188 173065038 /nfs/dbraw/zinc/06/50/38/173065038.db2.gz XMYWJYZTWJVIEJ-ZDUSSCGKSA-N 0 3 252.383 2.315 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccc(OC)cc1OC ZINC000037386484 173169450 /nfs/dbraw/zinc/16/94/50/173169450.db2.gz IBYOWCKPNCGSDJ-JTQLQIEISA-N 0 3 266.341 2.030 10 0 CEAEHN Cc1ccc(NC(=O)CNC2CC2)c(Br)c1 ZINC000037386716 173169575 /nfs/dbraw/zinc/16/95/75/173169575.db2.gz CUAYMTDCBYLIMJ-UHFFFAOYSA-N 0 3 283.169 2.448 10 0 CEAEHN CC[C@](NC(C)C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037446457 173213497 /nfs/dbraw/zinc/21/34/97/173213497.db2.gz URTXGNCYBKOEFM-CYBMUJFWSA-N 0 3 254.761 2.429 10 0 CEAEHN NCCS(=O)(=O)N(C1CCCCC1)C1CCCCC1 ZINC000037513203 173244244 /nfs/dbraw/zinc/24/42/44/173244244.db2.gz ZOLPQRYIRMHKHY-UHFFFAOYSA-N 0 3 288.457 2.242 10 0 CEAEHN Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H](N)CC(C)C ZINC000037771069 173703286 /nfs/dbraw/zinc/70/32/86/173703286.db2.gz CKHNMAYZFCRFDK-LBPRGKRZSA-N 0 3 266.389 2.393 10 0 CEAEHN CCOC(=O)CC[C@@H](N)c1c(F)cc(OC)cc1F ZINC000037903808 173835157 /nfs/dbraw/zinc/83/51/57/173835157.db2.gz FBFDYYYOBIZPSN-LLVKDONJSA-N 0 3 273.279 2.317 10 0 CEAEHN COC(=O)c1ccccc1CNCC[C@H]1CCCO1 ZINC000038096200 174110226 /nfs/dbraw/zinc/11/02/26/174110226.db2.gz ONSMPRQFZSNZRE-CYBMUJFWSA-N 0 3 263.337 2.132 10 0 CEAEHN CC(C)[C@@H](N)C(=O)N1CCc2sccc2[C@@H]1C ZINC000038100846 174115997 /nfs/dbraw/zinc/11/59/97/174115997.db2.gz HOKIYNZJIWOBAY-JOYOIKCWSA-N 0 3 252.383 2.177 10 0 CEAEHN Cc1ccc(OC[C@@H](C)N[C@H]2CCCCNC2=O)cc1 ZINC000040499924 174296519 /nfs/dbraw/zinc/29/65/19/174296519.db2.gz ZVKVCOMOMDXVJW-HIFRSBDPSA-N 0 3 276.380 2.021 10 0 CEAEHN CC(=O)NC[C@H](c1ccco1)N1CCCCCC1 ZINC000040614364 174353625 /nfs/dbraw/zinc/35/36/25/174353625.db2.gz ZEZWMKUOUGURIK-CYBMUJFWSA-N 0 3 250.342 2.333 10 0 CEAEHN CCCCc1ccc(NC(=O)[C@@H]2C[C@@H](OC)CN2)cc1 ZINC000040631701 174358339 /nfs/dbraw/zinc/35/83/39/174358339.db2.gz UYIJREVVJBIEGA-CABCVRRESA-N 0 3 276.380 2.345 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccccc2OCC(C)C)C1 ZINC000040634337 174360306 /nfs/dbraw/zinc/36/03/06/174360306.db2.gz AATNXALPLWFROP-JSGCOSHPSA-N 0 3 292.379 2.037 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](OC)CN1 ZINC000040634373 174360465 /nfs/dbraw/zinc/36/04/65/174360465.db2.gz BJBXDTWATKKXPO-CMPLNLGQSA-N 0 3 298.770 2.054 10 0 CEAEHN COc1ccc(-c2c[nH]c([C@@H]3C[C@H](OC)CN3)n2)cc1 ZINC000040637883 174362060 /nfs/dbraw/zinc/36/20/60/174362060.db2.gz ZZXGEUULKASWIA-STQMWFEESA-N 0 3 273.336 2.135 10 0 CEAEHN Cc1ncsc1[C@@H](C)NCCc1nccn1C ZINC000040639358 174363610 /nfs/dbraw/zinc/36/36/10/174363610.db2.gz BLTPCDQEPMUDED-SECBINFHSA-N 0 3 250.371 2.078 10 0 CEAEHN Cc1nnc(N[C@@H]2CCCN(C)C2)c2ccccc12 ZINC000040673445 174372052 /nfs/dbraw/zinc/37/20/52/174372052.db2.gz AQGSAJUEDQMGMD-GFCCVEGCSA-N 0 3 256.353 2.444 10 0 CEAEHN Cc1cc(=O)n(C[C@H](N)c2cccc3ccccc32)cn1 ZINC000040728137 174387865 /nfs/dbraw/zinc/38/78/65/174387865.db2.gz PHUNBTQHLONCJL-INIZCTEOSA-N 0 3 279.343 2.405 10 0 CEAEHN Cc1nn([C@H]2COc3ccccc3[C@H]2N)c(C)c1C ZINC000040729838 174388395 /nfs/dbraw/zinc/38/83/95/174388395.db2.gz FAKCXUPJEMFVNN-DZGCQCFKSA-N 0 3 257.337 2.442 10 0 CEAEHN COC(=O)C(C)(C)NC1[C@@H]2CCC[C@H]1CN(C(C)C)C2 ZINC000040769243 174399380 /nfs/dbraw/zinc/39/93/80/174399380.db2.gz OIAACXXSFCCQTH-PBWFPOADSA-N 0 3 282.428 2.037 10 0 CEAEHN CSc1cccc(CN[C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000660480380 414842724 /nfs/dbraw/zinc/84/27/24/414842724.db2.gz UCQZANDADWTRTM-MFKMUULPSA-N 0 3 264.394 2.165 10 0 CEAEHN C[C@@H](N(C)Cc1cnc2ccccc2n1)C(C)(C)O ZINC000660677117 414930162 /nfs/dbraw/zinc/93/01/62/414930162.db2.gz PLDMMDHEVPVVSM-LLVKDONJSA-N 0 3 259.353 2.221 10 0 CEAEHN CC(C)(C)c1ccc(CN[C@@H]2CCNC2=O)s1 ZINC000657524162 414987019 /nfs/dbraw/zinc/98/70/19/414987019.db2.gz KNKUYBMXEOQLMY-SNVBAGLBSA-N 0 3 252.383 2.024 10 0 CEAEHN OCC1CC(NCc2ccc(Br)c(F)c2)C1 ZINC000657812028 415090562 /nfs/dbraw/zinc/09/05/62/415090562.db2.gz CIHKIUZFLJCXIC-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN CNCc1c(N(C)Cc2cscn2)nc2ccccn21 ZINC000042867406 174895468 /nfs/dbraw/zinc/89/54/68/174895468.db2.gz MGGZMJOJQNQAJY-UHFFFAOYSA-N 0 3 287.392 2.147 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)s1)N(C)CC(=O)NC1CC1 ZINC000043240391 174988959 /nfs/dbraw/zinc/98/89/59/174988959.db2.gz WLKJQLWEKXHIOF-IUODEOHRSA-N 0 3 295.452 2.045 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccc(Cl)s1)N1CCC(CO)CC1 ZINC000043252271 174994553 /nfs/dbraw/zinc/99/45/53/174994553.db2.gz LSXPWYQHSAWXIP-RNCFNFMXSA-N 0 3 288.844 2.494 10 0 CEAEHN CCN[C@H](c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300906 175001453 /nfs/dbraw/zinc/00/14/53/175001453.db2.gz BNVXDJIKDOLZID-DGCLKSJQSA-N 0 3 287.812 2.425 10 0 CEAEHN CCN[C@H](c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300902 175001483 /nfs/dbraw/zinc/00/14/83/175001483.db2.gz VJXJDYLEOJEYAQ-HIFRSBDPSA-N 0 3 281.421 2.389 10 0 CEAEHN CCCN[C@@H](c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301361 175002045 /nfs/dbraw/zinc/00/20/45/175002045.db2.gz POVJDMFXHUGOIZ-HIFRSBDPSA-N 0 3 297.420 2.171 10 0 CEAEHN CCOC1CCN([C@H](c2ccco2)[C@@H](C)N)CC1 ZINC000043335487 175011232 /nfs/dbraw/zinc/01/12/32/175011232.db2.gz DOOSJNDQYWAEFC-RISCZKNCSA-N 0 3 252.358 2.169 10 0 CEAEHN COc1ccc(CO[C@H](CN)c2ccccn2)cc1 ZINC000043343150 175015868 /nfs/dbraw/zinc/01/58/68/175015868.db2.gz GTDFJFHCIQGQIM-OAHLLOKOSA-N 0 3 258.321 2.307 10 0 CEAEHN COc1cc(C)ccc1O[C@H](CN)c1cccnc1 ZINC000043349951 175019216 /nfs/dbraw/zinc/01/92/16/175019216.db2.gz IVZSHVCEMNKQCA-OAHLLOKOSA-N 0 3 258.321 2.477 10 0 CEAEHN Cc1ccc([C@@H]([C@H](C)N)N2CCOCC2(C)C)o1 ZINC000043364746 175025521 /nfs/dbraw/zinc/02/55/21/175025521.db2.gz UTISYESDOSDPOV-WCQYABFASA-N 0 3 252.358 2.087 10 0 CEAEHN CCOC1CCN([C@@H](c2ccc(C)o2)[C@@H](C)N)CC1 ZINC000043364572 175025817 /nfs/dbraw/zinc/02/58/17/175025817.db2.gz RFKZRUJECSQEGH-IUODEOHRSA-N 0 3 266.385 2.477 10 0 CEAEHN CCN[C@H](c1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043393205 175034654 /nfs/dbraw/zinc/03/46/54/175034654.db2.gz ZJCACTFUSXQYBG-ZFWWWQNUSA-N 0 3 281.421 2.389 10 0 CEAEHN Cc1ccc(CN)c(N(CC(F)(F)F)C2CC2)n1 ZINC000043396046 175036129 /nfs/dbraw/zinc/03/61/29/175036129.db2.gz UOPXFBCKMBPTJD-UHFFFAOYSA-N 0 3 259.275 2.380 10 0 CEAEHN CN1CCC([NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000043477555 175054445 /nfs/dbraw/zinc/05/44/45/175054445.db2.gz WABPKVFHYZPPOL-UHFFFAOYSA-N 0 3 254.761 2.229 10 0 CEAEHN C[NH+]1CCC(NCc2ccc([O-])c(Cl)c2)CC1 ZINC000043477555 175054447 /nfs/dbraw/zinc/05/44/47/175054447.db2.gz WABPKVFHYZPPOL-UHFFFAOYSA-N 0 3 254.761 2.229 10 0 CEAEHN O=C1NCC[C@H]1N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000658052251 415176178 /nfs/dbraw/zinc/17/61/78/415176178.db2.gz ITJRRIIKLBPIED-UONOGXRCSA-N 0 3 269.348 2.023 10 0 CEAEHN CCN(C[C@H](NC)c1ccc(OC)c(OC)c1)C1CC1 ZINC000043821482 175114607 /nfs/dbraw/zinc/11/46/07/175114607.db2.gz TVIZBVJKTABNEM-AWEZNQCLSA-N 0 3 278.396 2.449 10 0 CEAEHN CCCN[C@@H](CN1CCOC[C@@H]1C)c1ccccc1OC ZINC000043891764 175118865 /nfs/dbraw/zinc/11/88/65/175118865.db2.gz FXHFYVHABBWXCB-HOCLYGCPSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@H](CN(C)CCOC)c1ccccc1OC ZINC000043916260 175124900 /nfs/dbraw/zinc/12/49/00/175124900.db2.gz BODIBADWQVATGZ-OAHLLOKOSA-N 0 3 280.412 2.314 10 0 CEAEHN Cc1cc(N)ccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000044749091 175244229 /nfs/dbraw/zinc/24/42/29/175244229.db2.gz OZVMEAPXJHBIDZ-CQSZACIVSA-N 0 3 277.412 2.283 10 0 CEAEHN CC[C@@H](NC(=O)[C@H](CN)Cc1ccccc1)C(C)C ZINC000044805645 175256562 /nfs/dbraw/zinc/25/65/62/175256562.db2.gz BIASUXUJSWSVGR-LSDHHAIUSA-N 0 3 262.397 2.355 10 0 CEAEHN CCN(C(=O)[C@@H]1CCCCN1)c1cccc(F)c1 ZINC000044880536 175269406 /nfs/dbraw/zinc/26/94/06/175269406.db2.gz CABJHBBVSYDHBQ-ZDUSSCGKSA-N 0 3 250.317 2.321 10 0 CEAEHN CCCCCNC(=O)[C@@H](C)NCCOCCC(C)C ZINC000045106851 175308135 /nfs/dbraw/zinc/30/81/35/175308135.db2.gz JCNCIHYIITYWIL-CQSZACIVSA-N 0 3 272.433 2.334 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c([C@@H]2CCCCN2)n1 ZINC000045169341 175320171 /nfs/dbraw/zinc/32/01/71/175320171.db2.gz QEVWXLOLBJYMTN-NSHDSACASA-N 0 3 259.357 2.242 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)N[C@@H](CO)CC(C)C ZINC000045172216 175321648 /nfs/dbraw/zinc/32/16/48/175321648.db2.gz PXYIPCUVRNPODC-ZWNOBZJWSA-N 0 3 253.390 2.095 10 0 CEAEHN CCCCN(C)C[C@@](N)(C(=O)OCC)c1ccccc1 ZINC000045221895 175330902 /nfs/dbraw/zinc/33/09/02/175330902.db2.gz SUERVZLFNHGKST-INIZCTEOSA-N 0 3 278.396 2.136 10 0 CEAEHN CCN(C[C@@](C)(NC(C)C)C(N)=O)c1ccccc1C ZINC000045223029 175331443 /nfs/dbraw/zinc/33/14/43/175331443.db2.gz AUOVJFKGHSJMNU-MRXNPFEDSA-N 0 3 277.412 2.063 10 0 CEAEHN CC[NH2+][C@](C)(CCN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231855 175335572 /nfs/dbraw/zinc/33/55/72/175335572.db2.gz ALZZIFAZGISVAL-MBNYWOFBSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN[C@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231855 175335574 /nfs/dbraw/zinc/33/55/74/175335574.db2.gz ALZZIFAZGISVAL-MBNYWOFBSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN[C@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231855 175335575 /nfs/dbraw/zinc/33/55/75/175335575.db2.gz ALZZIFAZGISVAL-MBNYWOFBSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN[C@](C)(CN1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231779 175335624 /nfs/dbraw/zinc/33/56/24/175335624.db2.gz NZKOQDJDOUUKAB-KCQAQPDRSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCN[C@](C)(CN(C)C1CCCC1)C(=O)OCC ZINC000045266169 175339449 /nfs/dbraw/zinc/33/94/49/175339449.db2.gz CSXOLNCBKDBGRC-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN(CC)C[C@](NCC)(C(=O)OC)c1ccccc1 ZINC000045267455 175339968 /nfs/dbraw/zinc/33/99/68/175339968.db2.gz NLARNCIEAZCVJW-QGZVFWFLSA-N 0 3 292.423 2.396 10 0 CEAEHN CCN(CC[C@](C)(NC1CC1)C(N)=O)c1cccc(C)c1 ZINC000045273262 175343923 /nfs/dbraw/zinc/34/39/23/175343923.db2.gz WGODUGGDTCTMHC-KRWDZBQOSA-N 0 3 289.423 2.207 10 0 CEAEHN CCC(CC)C[N@H+](CC)CC[C@](C)(NC)C(=O)[O-] ZINC000045277815 175347787 /nfs/dbraw/zinc/34/77/87/175347787.db2.gz QLEZYPKIYJIHHA-AWEZNQCLSA-N 0 3 258.406 2.197 10 0 CEAEHN CCC(CC)C[N@@H+](CC)CC[C@](C)(NC)C(=O)[O-] ZINC000045277815 175347788 /nfs/dbraw/zinc/34/77/88/175347788.db2.gz QLEZYPKIYJIHHA-AWEZNQCLSA-N 0 3 258.406 2.197 10 0 CEAEHN CCC1CCN(CC[C@@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281470 175352484 /nfs/dbraw/zinc/35/24/84/175352484.db2.gz BQNRQENMUGQDOG-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CC1(C)CCN(C(=O)C2(N)CCOCC2)CC(C)(C)C1 ZINC000659357412 415536091 /nfs/dbraw/zinc/53/60/91/415536091.db2.gz GRYHEUBEYCZAHS-UHFFFAOYSA-N 0 3 282.428 2.169 10 0 CEAEHN CCCc1cc(NN)nc(-c2ccc3nccnc3c2)n1 ZINC000070433623 175928623 /nfs/dbraw/zinc/92/86/23/175928623.db2.gz BBKPMTCPZDWATE-UHFFFAOYSA-N 0 3 280.335 2.325 10 0 CEAEHN COCC1CCN([C@@H](CN)c2ccccc2F)CC1 ZINC000070533844 175974763 /nfs/dbraw/zinc/97/47/63/175974763.db2.gz TYYOUDADDVZLPE-HNNXBMFYSA-N 0 3 266.360 2.184 10 0 CEAEHN Cc1ccc(C(=O)N(CC[NH3+])C2CCCC2)c([O-])c1 ZINC000070943595 176016290 /nfs/dbraw/zinc/01/62/90/176016290.db2.gz ORZGLWXWVZLKGH-UHFFFAOYSA-N 0 3 262.353 2.044 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1cccc(Cl)c1 ZINC000071032559 176023738 /nfs/dbraw/zinc/02/37/38/176023738.db2.gz YDRMVABXSXCWKW-LBPRGKRZSA-N 0 3 250.729 2.197 10 0 CEAEHN COc1ccc(N2CC[C@H](NC(C)C)C2=O)cc1Cl ZINC000071038110 176026866 /nfs/dbraw/zinc/02/68/66/176026866.db2.gz SJSTWWJCRICPFG-LBPRGKRZSA-N 0 3 282.771 2.452 10 0 CEAEHN C[C@H](Cc1cccs1)N1CC[C@@H](NC2CC2)C1=O ZINC000071043805 176029626 /nfs/dbraw/zinc/02/96/26/176029626.db2.gz SEJBPTSSDCSBQC-ZWNOBZJWSA-N 0 3 264.394 2.032 10 0 CEAEHN NCc1ncccc1COc1cc(F)ccc1F ZINC000071167361 176049412 /nfs/dbraw/zinc/04/94/12/176049412.db2.gz FUTCSDBIBAGERC-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN CCNCc1cc(Cl)ccc1O[C@H]1CCN(C)C1=O ZINC000071182835 176058155 /nfs/dbraw/zinc/05/81/55/176058155.db2.gz GYYUZRJINNAGJF-ZDUSSCGKSA-N 0 3 282.771 2.059 10 0 CEAEHN COC[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000071267601 176101144 /nfs/dbraw/zinc/10/11/44/176101144.db2.gz ZUVYUKYCJGJNPD-IRXDYDNUSA-N 0 3 287.359 2.079 10 0 CEAEHN Cc1ccc(SCCN2CCCN(CCO)CC2)cc1 ZINC000071350079 176133696 /nfs/dbraw/zinc/13/36/96/176133696.db2.gz KKIMENJAQCIYDZ-UHFFFAOYSA-N 0 3 294.464 2.087 10 0 CEAEHN c1cn([C@@H]2CCC[C@@H]2NCc2cnn3ccccc23)cn1 ZINC000071373014 176138542 /nfs/dbraw/zinc/13/85/42/176138542.db2.gz AHFZLFMBWCIOSM-GOEBONIOSA-N 0 3 281.363 2.414 10 0 CEAEHN Cc1ccc(N)c(C(=O)NC[C@H](CC(C)C)N(C)C)c1 ZINC000071383415 176146751 /nfs/dbraw/zinc/14/67/51/176146751.db2.gz QWKOSURPXMAAAQ-ZDUSSCGKSA-N 0 3 277.412 2.283 10 0 CEAEHN CCN(C)C(=O)COc1ccc(C)cc1CNC(C)C ZINC000071406646 176156516 /nfs/dbraw/zinc/15/65/16/176156516.db2.gz ZTFDYNWVJUFOKB-UHFFFAOYSA-N 0 3 278.396 2.350 10 0 CEAEHN CN[C@@H](C(=O)c1cc(OC)ccc1OC)C(C)C ZINC000071573098 176199755 /nfs/dbraw/zinc/19/97/55/176199755.db2.gz PENQBKRQNWQOEH-CYBMUJFWSA-N 0 3 251.326 2.131 10 0 CEAEHN NC(=O)CC[C@@H]1CCCN(Cc2cccc3nccnc23)C1 ZINC000072167975 176331464 /nfs/dbraw/zinc/33/14/64/176331464.db2.gz HQSFSQXDOXHUKA-ZDUSSCGKSA-N 0 3 298.390 2.107 10 0 CEAEHN Cc1cc(C)cc(CNC(=O)[C@]2(C)CCCCN2)c1 ZINC000662648131 415917624 /nfs/dbraw/zinc/91/76/24/415917624.db2.gz XKIVXDSNDCPTHB-INIZCTEOSA-N 0 3 260.381 2.452 10 0 CEAEHN CC[C@@H](C)N(Cc1cc(C)ccc1OC)C(=O)CN ZINC000076680173 177057791 /nfs/dbraw/zinc/05/77/91/177057791.db2.gz UBNXJVSSLCXNQP-GFCCVEGCSA-N 0 3 264.369 2.089 10 0 CEAEHN Cc1nc2sccn2c1CNCCOCC(F)(F)F ZINC000077402873 177263301 /nfs/dbraw/zinc/26/33/01/177263301.db2.gz HHCJYNNEANEFIW-UHFFFAOYSA-N 0 3 293.314 2.373 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CC=CCC1 ZINC000077570011 177281871 /nfs/dbraw/zinc/28/18/71/177281871.db2.gz BXPZSWKBXMJLAP-KBPBESRZSA-N 0 3 267.417 2.371 10 0 CEAEHN COC[C@H](C)Oc1ncccc1CNCC(C)C ZINC000078522465 177349445 /nfs/dbraw/zinc/34/94/45/177349445.db2.gz ZFRBBCZITSNYFQ-LBPRGKRZSA-N 0 3 252.358 2.241 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)Oc1ccccc1 ZINC000078597202 177357840 /nfs/dbraw/zinc/35/78/40/177357840.db2.gz WDBCGVYKGXFRQI-CYBMUJFWSA-N 0 3 250.342 2.361 10 0 CEAEHN COc1ccc(C)cc1[C@H]1N[C@@H](C)C[C@@H](C)[C@@H]1C(N)=O ZINC000080098605 177607137 /nfs/dbraw/zinc/60/71/37/177607137.db2.gz LUOFPLQUDBMHOA-FDRIWYBQSA-N 0 3 276.380 2.164 10 0 CEAEHN C[C@H](O)CN1CCN(CCC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000189362605 270261113 /nfs/dbraw/zinc/26/11/13/270261113.db2.gz AZHUWAKWGNYWTP-OAGGEKHMSA-N 0 3 282.472 2.447 10 0 CEAEHN Cn1ccnc1CNC(C)(C)CCNC(=O)OC(C)(C)C ZINC000397442160 270353919 /nfs/dbraw/zinc/35/39/19/270353919.db2.gz GAGWXLTXPXVZAW-UHFFFAOYSA-N 0 3 296.415 2.203 10 0 CEAEHN O[C@@H]1CC[C@H]2CN(Cc3nc4ccccc4o3)C[C@@H]2C1 ZINC000399018287 270365735 /nfs/dbraw/zinc/36/57/35/270365735.db2.gz UGLIEFGULPDIJN-RWMBFGLXSA-N 0 3 272.348 2.421 10 0 CEAEHN CC(C)(C)OC(=O)N1CCN[C@@H](C2CCCC2)C1 ZINC000095752800 275520025 /nfs/dbraw/zinc/52/00/25/275520025.db2.gz PKFRBQGRHHLBGM-GFCCVEGCSA-N 0 3 254.374 2.386 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cnc2ccccc2n1 ZINC000177019066 276182365 /nfs/dbraw/zinc/18/23/65/276182365.db2.gz NMZXBAOLQZURQS-ZDUSSCGKSA-N 0 3 298.390 2.186 10 0 CEAEHN CNCC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000193143893 277020905 /nfs/dbraw/zinc/02/09/05/277020905.db2.gz KAMMHHKILDVFKB-SECBINFHSA-N 0 3 281.425 2.452 10 0 CEAEHN CN1CCC(N[C@H]2COc3cc(F)cc(F)c32)CC1 ZINC000157366857 277031665 /nfs/dbraw/zinc/03/16/65/277031665.db2.gz ZPSFSICPKHOJHG-LBPRGKRZSA-N 0 3 268.307 2.082 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN1CC(C)(C)OC(C)(C)C1 ZINC000190528584 277216108 /nfs/dbraw/zinc/21/61/08/277216108.db2.gz RLXKQEDJYIMYJZ-GFCCVEGCSA-N 0 3 273.417 2.052 10 0 CEAEHN COc1cccc2c1CC[C@H](N[C@@H]1CCCn3ncnc31)C2 ZINC000192444363 278035118 /nfs/dbraw/zinc/03/51/18/278035118.db2.gz RLINFABYJSENNL-DZGCQCFKSA-N 0 3 298.390 2.269 10 0 CEAEHN COc1ccccc1N1CC[C@H](NCCC(C)C)C1=O ZINC000237292240 278055406 /nfs/dbraw/zinc/05/54/06/278055406.db2.gz VWYGIDKKEHYYBG-ZDUSSCGKSA-N 0 3 276.380 2.436 10 0 CEAEHN C[C@H](O)CN(Cc1cnc(N)s1)C1CCCCC1 ZINC000261749628 278289134 /nfs/dbraw/zinc/28/91/34/278289134.db2.gz JRIYMXAGSNDGKZ-JTQLQIEISA-N 0 3 269.414 2.241 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)c(F)c1 ZINC000282363702 279028201 /nfs/dbraw/zinc/02/82/01/279028201.db2.gz NMBDFOGFJAGPRP-QPUJVOFHSA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249037953 279040586 /nfs/dbraw/zinc/04/05/86/279040586.db2.gz YCBDIBJSWGGLPG-NUEKZKHPSA-N 0 3 290.407 2.221 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccc(C(F)F)cc2)C1 ZINC000185703745 280125554 /nfs/dbraw/zinc/12/55/54/280125554.db2.gz KDMNXCGZHXKZBD-ZDUSSCGKSA-N 0 3 297.349 2.470 10 0 CEAEHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(Cl)c(F)c1 ZINC000215000751 280208380 /nfs/dbraw/zinc/20/83/80/280208380.db2.gz JZHBFVRDGJQZRE-JQWIXIFHSA-N 0 3 286.778 2.460 10 0 CEAEHN CCCC[C@H](N[C@@H]1CN(C(C)C)C[C@H]1C)C(=O)OC ZINC000245695826 280256619 /nfs/dbraw/zinc/25/66/19/280256619.db2.gz MPYGOUJOSWTRTQ-HZSPNIEDSA-N 0 3 270.417 2.037 10 0 CEAEHN CCc1noc(C)c1NC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246579739 280302108 /nfs/dbraw/zinc/30/21/08/280302108.db2.gz MDABXNWBMRXPJC-MFKMUULPSA-N 0 3 294.399 2.396 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CC[C@H](C)CC2)C1 ZINC000247185295 280322621 /nfs/dbraw/zinc/32/26/21/280322621.db2.gz PWBKCDFMLAQHCQ-IHRRRGAJSA-N 0 3 267.417 2.349 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccncc2F)C1 ZINC000248716219 280360423 /nfs/dbraw/zinc/36/04/23/280360423.db2.gz FYQNGAGCIAKRPV-ZWNOBZJWSA-N 0 3 280.347 2.071 10 0 CEAEHN CC[C@H]1CC[C@H](C(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000248996900 280378697 /nfs/dbraw/zinc/37/86/97/280378697.db2.gz MHFVKRHFSBKYHZ-IHRRRGAJSA-N 0 3 252.402 2.365 10 0 CEAEHN CC[C@H](O)CN1CCN(CC2CCCCCC2)CC1 ZINC000123475177 280998347 /nfs/dbraw/zinc/99/83/47/280998347.db2.gz GNWXQGXFOXSENK-INIZCTEOSA-N 0 3 268.445 2.345 10 0 CEAEHN Cc1ccc2cc(C(=O)N3CCN4CCC[C@H]4C3)[nH]c2c1 ZINC000195328423 281139218 /nfs/dbraw/zinc/13/92/18/281139218.db2.gz XOEQFWHEUUDBCK-AWEZNQCLSA-N 0 3 283.375 2.397 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1cccc(F)c1 ZINC000246890675 289287894 /nfs/dbraw/zinc/28/78/94/289287894.db2.gz XFRZTPXNGZYRNK-WFASDCNBSA-N 0 3 276.355 2.236 10 0 CEAEHN CCCC1CCN(C[C@H](NC(C)C)C(=O)OC)CC1 ZINC000050905884 519902234 /nfs/dbraw/zinc/90/22/34/519902234.db2.gz CUNJMRPFIFFLPZ-AWEZNQCLSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCN[C@@H](C)[C@H](C)S(=O)(=O)c1ccccc1 ZINC000061702910 519986041 /nfs/dbraw/zinc/98/60/41/519986041.db2.gz BHIXTRWZTBIFJG-RYUDHWBXSA-N 0 3 255.383 2.237 10 0 CEAEHN CCC[NH2+][C@@H](CCN(C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524189 519995417 /nfs/dbraw/zinc/99/54/17/519995417.db2.gz MUYOJGQJMFJUSN-STQMWFEESA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524189 519995426 /nfs/dbraw/zinc/99/54/26/519995426.db2.gz MUYOJGQJMFJUSN-STQMWFEESA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@@H](CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524189 519995432 /nfs/dbraw/zinc/99/54/32/519995432.db2.gz MUYOJGQJMFJUSN-STQMWFEESA-N 0 3 258.406 2.196 10 0 CEAEHN CCNCc1ccc(CN2C[C@@H](C)OC(C)(C)C2)o1 ZINC000052543458 519995637 /nfs/dbraw/zinc/99/56/37/519995637.db2.gz IRPHIOCJEAXYCI-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OC[C@H](O)COC ZINC000069054004 520074714 /nfs/dbraw/zinc/07/47/14/520074714.db2.gz YLTVIGFKSGGMED-QWHCGFSZSA-N 0 3 267.369 2.052 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1)[C@H]1COCCO1 ZINC000055300405 520087910 /nfs/dbraw/zinc/08/79/10/520087910.db2.gz ISFHKGWERPSZBX-ZIAGYGMSSA-N 0 3 253.317 2.282 10 0 CEAEHN CCN[C@@H](CSC)c1ccc2c(c1)OCCO2 ZINC000055229832 520102368 /nfs/dbraw/zinc/10/23/68/520102368.db2.gz VOOLPZATAYXGHM-NSHDSACASA-N 0 3 253.367 2.471 10 0 CEAEHN CC[N@H+](CC[C@H](NC(C)C)C(=O)[O-])C1CCCC1 ZINC000062448523 521157403 /nfs/dbraw/zinc/15/74/03/521157403.db2.gz QVZQCQLYFGYKFM-ZDUSSCGKSA-N 0 3 256.390 2.092 10 0 CEAEHN CC[N@@H+](CC[C@H](NC(C)C)C(=O)[O-])C1CCCC1 ZINC000062448523 521157409 /nfs/dbraw/zinc/15/74/09/521157409.db2.gz QVZQCQLYFGYKFM-ZDUSSCGKSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN(CC)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069098104 521613886 /nfs/dbraw/zinc/61/38/86/521613886.db2.gz UYRQHUXIJKXWRK-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN(CC)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069098085 521612881 /nfs/dbraw/zinc/61/28/81/521612881.db2.gz ZNSUQZSIBPVFTQ-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000052497976 521645517 /nfs/dbraw/zinc/64/55/17/521645517.db2.gz UPURXNUNIVCFEQ-MELADBBJSA-N 0 3 267.417 2.349 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1N ZINC000061641644 521831191 /nfs/dbraw/zinc/83/11/91/521831191.db2.gz UDLRRBJUXOGUJH-NSHDSACASA-N 0 3 281.787 2.088 10 0 CEAEHN CN(C)C[C@H]1CCCN1Cc1cccnc1Cl ZINC000061644141 521870839 /nfs/dbraw/zinc/87/08/39/521870839.db2.gz AMAHPYOGCCHRKB-GFCCVEGCSA-N 0 3 253.777 2.261 10 0 CEAEHN CN[C@@H](CCSc1ccc(C(C)C)cc1)C(N)=O ZINC000062598664 522351843 /nfs/dbraw/zinc/35/18/43/522351843.db2.gz XDISTAFDOOCBHX-ZDUSSCGKSA-N 0 3 266.410 2.366 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531956 522370218 /nfs/dbraw/zinc/37/02/18/522370218.db2.gz CLRNWNHDQXUCBS-RNCFNFMXSA-N 0 3 250.342 2.316 10 0 CEAEHN CCc1nc(N(CC)[C@H](C)COC)sc1CN ZINC000054998668 522381800 /nfs/dbraw/zinc/38/18/00/522381800.db2.gz USZCEJZOZGGGKS-SECBINFHSA-N 0 3 257.403 2.025 10 0 CEAEHN CN[C@H](C)c1cnc(N2CCCSCC2)s1 ZINC000054909483 522454549 /nfs/dbraw/zinc/45/45/49/522454549.db2.gz UKOMALUOYIYKDS-SECBINFHSA-N 0 3 257.428 2.367 10 0 CEAEHN COC[C@@H](C)CN1CCN(c2nc3ccccc3o2)CC1 ZINC000187205933 518078102 /nfs/dbraw/zinc/07/81/02/518078102.db2.gz WYCYFDBBEBODEY-ZDUSSCGKSA-N 0 3 289.379 2.232 10 0 CEAEHN Brc1ccc(CNCc2cnc[nH]2)cc1 ZINC000054763389 518212451 /nfs/dbraw/zinc/21/24/51/518212451.db2.gz DUMHUZPRYFEAGM-UHFFFAOYSA-N 0 3 266.142 2.462 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@H](C)C(=O)NC1CCCCC1 ZINC000049555899 519342982 /nfs/dbraw/zinc/34/29/82/519342982.db2.gz GRJDQAITMJVQBQ-GDBMZVCRSA-N 0 3 297.487 2.390 10 0 CEAEHN CC(C)Cn1ccnc(N[C@@H](C)CN2CCCCC2)c1=O ZINC000061765127 519520305 /nfs/dbraw/zinc/52/03/05/519520305.db2.gz ZCNDLTRTCOEWLW-AWEZNQCLSA-N 0 3 292.427 2.186 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC000155446176 519692276 /nfs/dbraw/zinc/69/22/76/519692276.db2.gz RPUSSNZTIJQBMX-PWSUYJOCSA-N 0 3 293.436 2.479 10 0 CEAEHN CC(C)CN1CCN(C[C@@H]2CCCCC[C@H]2O)CC1 ZINC000055082377 519726397 /nfs/dbraw/zinc/72/63/97/519726397.db2.gz OSHKPGMSFKYWKF-JKSUJKDBSA-N 0 3 268.445 2.201 10 0 CEAEHN CC(C)CN1CCN([C@@H](C)[C@H](O)c2ccccc2)CC1 ZINC000055080952 519727391 /nfs/dbraw/zinc/72/73/91/519727391.db2.gz VYWHXTWFDFCBNB-RDJZCZTQSA-N 0 3 276.424 2.382 10 0 CEAEHN CC(C)N[C@@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547942 519734880 /nfs/dbraw/zinc/73/48/80/519734880.db2.gz SRIANYGTXCKJBK-HNNXBMFYSA-N 0 3 278.396 2.431 10 0 CEAEHN CC(C)N[C@@](C)(CSc1nc2ccccc2o1)C(N)=O ZINC000045586325 519736254 /nfs/dbraw/zinc/73/62/54/519736254.db2.gz SPLSLVDFFXDPLM-AWEZNQCLSA-N 0 3 293.392 2.162 10 0 CEAEHN CC(C)N[C@@](C)(C[C@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656468 519736936 /nfs/dbraw/zinc/73/69/36/519736936.db2.gz IBXGVTJCOBIOMM-NHYWBVRUSA-N 0 3 282.359 2.225 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000054744865 519749069 /nfs/dbraw/zinc/74/90/69/519749069.db2.gz UZIFNAYHCCUNDY-UHFFFAOYSA-N 0 3 299.300 2.427 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(N)cn1C1CC1 ZINC000049551055 519775409 /nfs/dbraw/zinc/77/54/09/519775409.db2.gz LTMUKYLGWLIKRJ-ZDUSSCGKSA-N 0 3 292.427 2.111 10 0 CEAEHN CCCNC(=O)COc1cc(F)ccc1[C@H](C)NC ZINC000062746615 519881381 /nfs/dbraw/zinc/88/13/81/519881381.db2.gz AZVSLOFAVSUXFU-JTQLQIEISA-N 0 3 268.332 2.011 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(C)cc1OCCOC ZINC000061293700 519906416 /nfs/dbraw/zinc/90/64/16/519906416.db2.gz KAOCKJNEUHUNJS-UHFFFAOYSA-N 0 3 294.395 2.347 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1-c1nc(C)no1 ZINC000061290655 519908429 /nfs/dbraw/zinc/90/84/29/519908429.db2.gz XJAKKMVJSXKQTO-UHFFFAOYSA-N 0 3 288.351 2.372 10 0 CEAEHN CCCNCc1c(C)nc(C[C@H]2CCCO2)nc1C ZINC000054854225 519942840 /nfs/dbraw/zinc/94/28/40/519942840.db2.gz QZDFFNHOMUVWHT-CYBMUJFWSA-N 0 3 263.385 2.315 10 0 CEAEHN CCCN[C@@H](C(N)=O)c1ccc(OCCC)cc1 ZINC000052920240 519984837 /nfs/dbraw/zinc/98/48/37/519984837.db2.gz BPRDAGYFZKCWRB-CYBMUJFWSA-N 0 3 250.342 2.001 10 0 CEAEHN CCNCc1cnn(Cc2ncc(C)c(OC)c2C)c1 ZINC000054719313 520017923 /nfs/dbraw/zinc/01/79/23/520017923.db2.gz SBUAJMOMAOHRRT-UHFFFAOYSA-N 0 3 274.368 2.061 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1)[C@H]1COCCO1 ZINC000055300403 520018077 /nfs/dbraw/zinc/01/80/77/520018077.db2.gz ISFHKGWERPSZBX-KGLIPLIRSA-N 0 3 253.317 2.282 10 0 CEAEHN CCN[C@@H](CC)[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000061702870 520082116 /nfs/dbraw/zinc/08/21/16/520082116.db2.gz AOOCPHTWYARREL-YPMHNXCESA-N 0 3 255.383 2.237 10 0 CEAEHN CCN[C@@H](CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000061702852 520101251 /nfs/dbraw/zinc/10/12/51/520101251.db2.gz LOXXRKDLPYFMDP-ZDUSSCGKSA-N 0 3 269.410 2.485 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516969 520104737 /nfs/dbraw/zinc/10/47/37/520104737.db2.gz APODBBYAYDVORR-OAHLLOKOSA-N 0 3 270.417 2.341 10 0 CEAEHN CCCN[C@](CN(C)CCC)(C(=O)OCC)C1CC1 ZINC000069096900 520117702 /nfs/dbraw/zinc/11/77/02/520117702.db2.gz DRAVSGULXVQVKE-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@](COc1ccccc1C)(C(N)=O)C1CC1 ZINC000069197458 520125254 /nfs/dbraw/zinc/12/52/54/520125254.db2.gz NFFHTGSYTMIBLH-INIZCTEOSA-N 0 3 276.380 2.008 10 0 CEAEHN CCN[C@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000062365949 520180939 /nfs/dbraw/zinc/18/09/39/520180939.db2.gz RSFIIIAFRZRWDU-SECBINFHSA-N 0 3 261.325 2.395 10 0 CEAEHN CCN[C@H](C)c1cnc(Cc2ccncc2)nc1C ZINC000054963015 520181300 /nfs/dbraw/zinc/18/13/00/520181300.db2.gz BHQGZDWXMWOHRB-LLVKDONJSA-N 0 3 256.353 2.441 10 0 CEAEHN CCN[C@H](CCSc1ccc(C)cc1C)C(N)=O ZINC000062598803 520194747 /nfs/dbraw/zinc/19/47/47/520194747.db2.gz ZYYINJRIQLGMOJ-GFCCVEGCSA-N 0 3 266.410 2.249 10 0 CEAEHN CCN[C@H](Cc1ccc(OC)c(OC)c1)c1ccnn1C ZINC000069467525 520202139 /nfs/dbraw/zinc/20/21/39/520202139.db2.gz FVFWPSGZKPPPLN-CYBMUJFWSA-N 0 3 289.379 2.331 10 0 CEAEHN CCN[C@H](Cc1csc(C)n1)c1cnn(C)c1 ZINC000055295634 520204789 /nfs/dbraw/zinc/20/47/89/520204789.db2.gz XDWFFZGDVIJHCH-GFCCVEGCSA-N 0 3 250.371 2.078 10 0 CEAEHN CCN[C@H](c1ccnn1C)c1ccc(OC)c(OC)c1 ZINC000069467151 520211677 /nfs/dbraw/zinc/21/16/77/520211677.db2.gz ZPKSAFIKGFDSRE-HNNXBMFYSA-N 0 3 275.352 2.136 10 0 CEAEHN CCN[C@](C)(C[C@H](C)N(CC)c1cccc(C)c1)C(N)=O ZINC000068627780 520239825 /nfs/dbraw/zinc/23/98/25/520239825.db2.gz HTCNZISJEBXXMW-WMLDXEAASA-N 0 3 291.439 2.453 10 0 CEAEHN CCNc1cc(CN(C)[C@H]2CCSC2)ccn1 ZINC000052720004 520269959 /nfs/dbraw/zinc/26/99/59/520269959.db2.gz MHPIUZRPQSHTHU-LBPRGKRZSA-N 0 3 251.399 2.451 10 0 CEAEHN CCNc1ccc(C(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000050777718 520293278 /nfs/dbraw/zinc/29/32/78/520293278.db2.gz SKUMXJJBVCTWDT-OAHLLOKOSA-N 0 3 275.396 2.333 10 0 CEAEHN CC1(C)CCN(CC(=O)Nc2cccc(CN)c2)CC1 ZINC000061818766 520376993 /nfs/dbraw/zinc/37/69/93/520376993.db2.gz ZIWHHFORKLJHNH-UHFFFAOYSA-N 0 3 275.396 2.206 10 0 CEAEHN CCCOc1ccc([C@@H](NC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000052919594 520416636 /nfs/dbraw/zinc/41/66/36/520416636.db2.gz DLUWRVISFMTRIA-UKRRQHHQSA-N 0 3 297.420 2.171 10 0 CEAEHN CCCCNC(=O)COc1cc(F)ccc1[C@H](C)N ZINC000062745203 520623955 /nfs/dbraw/zinc/62/39/55/520623955.db2.gz VCJQSJAHBXWNQJ-JTQLQIEISA-N 0 3 268.332 2.141 10 0 CEAEHN CCCCOC(=O)COc1cccc(CNCCOC)c1 ZINC000062731763 520712588 /nfs/dbraw/zinc/71/25/88/520712588.db2.gz FMVQIOVRWYEMMR-UHFFFAOYSA-N 0 3 295.379 2.145 10 0 CEAEHN CC1CCC(N2CCN(c3ccc(N)nc3)CC2)CC1 ZINC000068606679 520942669 /nfs/dbraw/zinc/94/26/69/520942669.db2.gz CMSSVXFOOALSKI-UHFFFAOYSA-N 0 3 274.412 2.365 10 0 CEAEHN CCOC(=O)[C@@](CN1CCCCCC1)(NC1CC1)C1CC1 ZINC000069095122 521167512 /nfs/dbraw/zinc/16/75/12/521167512.db2.gz YFTSPKSKOAVCGN-KRWDZBQOSA-N 0 3 294.439 2.326 10 0 CEAEHN CCN(Cc1cc(F)ccc1C(N)=S)C[C@@H]1CCCO1 ZINC000069402765 521293602 /nfs/dbraw/zinc/29/36/02/521293602.db2.gz MOTSMVGSCSQBRE-ZDUSSCGKSA-N 0 3 296.411 2.461 10 0 CEAEHN CCC(C)(C)NC(=O)COc1ccc2c(c1)OC[C@H]2NC ZINC000062804062 521318843 /nfs/dbraw/zinc/31/88/43/521318843.db2.gz HFFQDTDJFGXGJJ-CYBMUJFWSA-N 0 3 292.379 2.023 10 0 CEAEHN CCOC(=O)[C@](C)(N)CCCCN1Cc2ccccc2C1 ZINC000050912339 521325731 /nfs/dbraw/zinc/32/57/31/521325731.db2.gz IWPYDICLYTVVTG-QGZVFWFLSA-N 0 3 290.407 2.453 10 0 CEAEHN CCOc1cccc(NC(=O)[C@@H]2NCCC[C@@H]2C)c1 ZINC000051793904 521394505 /nfs/dbraw/zinc/39/45/05/521394505.db2.gz QTJYQKZLAGZCGJ-SMDDNHRTSA-N 0 3 262.353 2.412 10 0 CEAEHN CCCN(CC)C[C@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069098156 521613431 /nfs/dbraw/zinc/61/34/31/521613431.db2.gz RCKDMXCQZJORHZ-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2cc(C)ccc2NC)C1 ZINC000053003477 521647135 /nfs/dbraw/zinc/64/71/35/521647135.db2.gz BVTKWYCYKSJZSC-ZDUSSCGKSA-N 0 3 275.396 2.251 10 0 CEAEHN CCN1CCC[C@H](Nc2cc3c(cc2N)CCC(=O)N3)C1 ZINC000049193245 521649494 /nfs/dbraw/zinc/64/94/94/521649494.db2.gz ZSRROOVTAAUGED-LBPRGKRZSA-N 0 3 288.395 2.050 10 0 CEAEHN CCCn1cc([C@@H](N)Cc2csc(C)n2)cn1 ZINC000055294776 521654554 /nfs/dbraw/zinc/65/45/54/521654554.db2.gz OFJITGRUKWJOHH-LBPRGKRZSA-N 0 3 250.371 2.301 10 0 CEAEHN CCOC1CCN(Cc2cc(C)c(CNC)o2)CC1 ZINC000052484137 521655791 /nfs/dbraw/zinc/65/57/91/521655791.db2.gz KZJOVLGUGUKGEG-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCn1ccnc(NCCN(C(C)C)C(C)C)c1=O ZINC000061762078 521660140 /nfs/dbraw/zinc/66/01/40/521660140.db2.gz DZNHHWDWUGAFMK-UHFFFAOYSA-N 0 3 280.416 2.184 10 0 CEAEHN CCNC(=O)c1ccc(C)c(NC(=O)C(C)(C)NCC)c1 ZINC000061293104 521747349 /nfs/dbraw/zinc/74/73/49/521747349.db2.gz WOHFJYRDSBIKRF-UHFFFAOYSA-N 0 3 291.395 2.071 10 0 CEAEHN CC[C@H](C)Oc1cccc(NC(=O)[C@@H](N)CCOC)c1 ZINC000052810467 521777822 /nfs/dbraw/zinc/77/78/22/521777822.db2.gz MGXSEVWGJJSAEK-FZMZJTMJSA-N 0 3 280.368 2.166 10 0 CEAEHN COCC[C@@H](N)C(=O)NCCCCCCC(C)C ZINC000052809775 521822871 /nfs/dbraw/zinc/82/28/71/521822871.db2.gz RCTYBUZGQQYQKO-CYBMUJFWSA-N 0 3 258.406 2.073 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000052791862 521823892 /nfs/dbraw/zinc/82/38/92/521823892.db2.gz KWINKXBOFXTLSA-YNEHKIRRSA-N 0 3 270.417 2.071 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1N ZINC000061641645 521863118 /nfs/dbraw/zinc/86/31/18/521863118.db2.gz UDLRRBJUXOGUJH-LLVKDONJSA-N 0 3 281.787 2.088 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(Br)cc1 ZINC000061300197 521941407 /nfs/dbraw/zinc/94/14/07/521941407.db2.gz RYYZCNPKDIWRBU-UHFFFAOYSA-N 0 3 271.158 2.386 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000061300682 521941532 /nfs/dbraw/zinc/94/15/32/521941532.db2.gz FMXYFIFWBWZELE-UHFFFAOYSA-N 0 3 284.743 2.048 10 0 CEAEHN COCC[C@H](N)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000052807921 521941669 /nfs/dbraw/zinc/94/16/69/521941669.db2.gz ODBDFKGHJDWEPS-QWHCGFSZSA-N 0 3 294.395 2.082 10 0 CEAEHN CCc1ccccc1[C@H](CN)N(C)Cc1cnn(C)c1 ZINC000052203732 521951895 /nfs/dbraw/zinc/95/18/95/521951895.db2.gz JLEWTRGWRUMHGI-INIZCTEOSA-N 0 3 272.396 2.114 10 0 CEAEHN CC[C@@H](C)N(CC)Cc1ccnc(C(N)=S)c1 ZINC000068751930 522085692 /nfs/dbraw/zinc/08/56/92/522085692.db2.gz SMWHXLJAOGPNMB-SNVBAGLBSA-N 0 3 251.399 2.336 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1cc(CNC(C)C)no1 ZINC000052547325 522091039 /nfs/dbraw/zinc/09/10/39/522091039.db2.gz JXUINTKVWXTPLD-CYBMUJFWSA-N 0 3 283.416 2.420 10 0 CEAEHN CC[C@H](CC1CC1)NS(=O)(=O)c1ccccc1CN ZINC000070102623 522119933 /nfs/dbraw/zinc/11/99/33/522119933.db2.gz UVKWIVLNBHNVEB-CYBMUJFWSA-N 0 3 282.409 2.002 10 0 CEAEHN CNCc1cnc(N2CCc3ccccc3C2)s1 ZINC000054899814 522148421 /nfs/dbraw/zinc/14/84/21/522148421.db2.gz JJYZIZRFZBPHQS-UHFFFAOYSA-N 0 3 259.378 2.425 10 0 CEAEHN CNCc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000052420413 522151460 /nfs/dbraw/zinc/15/14/60/522151460.db2.gz FNUWKYHNQVHJJY-GHMZBOCLSA-N 0 3 253.415 2.340 10 0 CEAEHN CNCc1oc2ccccc2c1CN1CCO[C@H](C)C1 ZINC000052382401 522162098 /nfs/dbraw/zinc/16/20/98/522162098.db2.gz CKHFNOYCRCCBNM-GFCCVEGCSA-N 0 3 274.364 2.373 10 0 CEAEHN COC[C@@H](C)N(C)Cc1csc(CNC(C)C)n1 ZINC000052511223 522220730 /nfs/dbraw/zinc/22/07/30/522220730.db2.gz MXFVVNRDNUBPMT-LLVKDONJSA-N 0 3 271.430 2.108 10 0 CEAEHN CN(C)c1nc2sccn2c1CNC(C)(C)C ZINC000062734877 522339810 /nfs/dbraw/zinc/33/98/10/522339810.db2.gz LLRVVHGAZVDMHE-UHFFFAOYSA-N 0 3 252.387 2.350 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H]1COCCO1 ZINC000055301485 522369634 /nfs/dbraw/zinc/36/96/34/522369634.db2.gz UWZXVLBTMLFEAY-GJZGRUSLSA-N 0 3 277.364 2.076 10 0 CEAEHN CCc1nc(Cn2nc(C)c(CNC)c2C)cs1 ZINC000049275994 522379182 /nfs/dbraw/zinc/37/91/82/522379182.db2.gz KPFDLNCPHRXRPH-UHFFFAOYSA-N 0 3 264.398 2.287 10 0 CEAEHN CCc1nc(N(CCOC)CC(C)C)sc1CN ZINC000054998849 522383060 /nfs/dbraw/zinc/38/30/60/522383060.db2.gz QYYWZWALPMPGRL-UHFFFAOYSA-N 0 3 271.430 2.273 10 0 CEAEHN CN[C@@H]1COc2cc(OCCc3ccccn3)ccc21 ZINC000062804267 522400785 /nfs/dbraw/zinc/40/07/85/522400785.db2.gz SAVJIBNVSHRJEK-OAHLLOKOSA-N 0 3 270.332 2.356 10 0 CEAEHN COC(=O)c1occc1CNC[C@@H](C)CSC ZINC000069438111 522413726 /nfs/dbraw/zinc/41/37/26/522413726.db2.gz BGDCDJKRKNNHSE-SECBINFHSA-N 0 3 257.355 2.155 10 0 CEAEHN C[NH2+][C@@](C)(C[C@H](C)N1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641731 522420041 /nfs/dbraw/zinc/42/00/41/522420041.db2.gz RHISECNTFSPNPC-QRTARXTBSA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@@](C)(C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641731 522420047 /nfs/dbraw/zinc/42/00/47/522420047.db2.gz RHISECNTFSPNPC-QRTARXTBSA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@@](C)(C[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641731 522420058 /nfs/dbraw/zinc/42/00/58/522420058.db2.gz RHISECNTFSPNPC-QRTARXTBSA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@@](C)(C[C@H](C)Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000068652518 522421269 /nfs/dbraw/zinc/42/12/69/522421269.db2.gz BXKIQXYCJSGEQG-SJCJKPOMSA-N 0 3 290.407 2.186 10 0 CEAEHN CN[C@@](CSc1ccc2c(c1)CCC2)(C(N)=O)C1CC1 ZINC000069188151 522433008 /nfs/dbraw/zinc/43/30/08/522433008.db2.gz PYVXZUNGYUZKAW-MRXNPFEDSA-N 0 3 290.432 2.121 10 0 CEAEHN CN[C@H](c1cc(OC)c(OC)cc1F)[C@@H]1CCOC1 ZINC000061561004 522477405 /nfs/dbraw/zinc/47/74/05/522477405.db2.gz XSVMVZHGLMOHEG-OTYXRUKQSA-N 0 3 269.316 2.140 10 0 CEAEHN CCc1nc2ccccc2n1Cc1cccnc1C(=N)N ZINC000062807748 522505399 /nfs/dbraw/zinc/50/53/99/522505399.db2.gz OCCWUKACPJVIPR-UHFFFAOYSA-N 0 3 279.347 2.326 10 0 CEAEHN CN[C@](C)(C[C@H](C)Oc1cc(C)cc(C)c1C)C(N)=O ZINC000068657200 522523836 /nfs/dbraw/zinc/52/38/36/522523836.db2.gz HRZOCIOHBMYIRL-BLLLJJGKSA-N 0 3 278.396 2.233 10 0 CEAEHN CN[C@](COc1ccc(C(C)C)c(C)c1)(C(N)=O)C1CC1 ZINC000069197209 522529538 /nfs/dbraw/zinc/52/95/38/522529538.db2.gz XIEHLFATGYEIIG-KRWDZBQOSA-N 0 3 290.407 2.351 10 0 CEAEHN CN[C@](COc1cccc2ccccc21)(C(N)=O)C1CC1 ZINC000069197725 522530794 /nfs/dbraw/zinc/53/07/94/522530794.db2.gz ZGWFMMLKQVQRLU-KRWDZBQOSA-N 0 3 284.359 2.072 10 0 CEAEHN COc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000049570467 522608580 /nfs/dbraw/zinc/60/85/80/522608580.db2.gz JDEKTDPQHOJAQP-SKDRFNHKSA-N 0 3 266.316 2.303 10 0 CEAEHN CCC1N=NC(=S)N1[C@H](C)CN1CCCCC1 ZINC000049502272 522780479 /nfs/dbraw/zinc/78/04/79/522780479.db2.gz YGVJSZHZOAZJJY-SNVBAGLBSA-N 0 3 254.403 2.176 10 0 CEAEHN COCc1ccccc1NC(=O)[C@H]1CCC[C@@H](C)N1 ZINC000049512007 523120881 /nfs/dbraw/zinc/12/08/81/523120881.db2.gz GSUHVKSIATXVNM-BXUZGUMPSA-N 0 3 262.353 2.302 10 0 CEAEHN CN(Cc1cc2ccccc2nc1N)C1CCOCC1 ZINC000050814127 523183822 /nfs/dbraw/zinc/18/38/22/523183822.db2.gz XKYSNQZRVBXLTK-UHFFFAOYSA-N 0 3 271.364 2.428 10 0 CEAEHN COCCCN(C)c1ccc(F)cc1CNCCOC ZINC000062738422 523235560 /nfs/dbraw/zinc/23/55/60/523235560.db2.gz IHSHJGWHIIQCAT-UHFFFAOYSA-N 0 3 284.375 2.034 10 0 CEAEHN CN(Cc1ccc(O)cc1)C(=O)[C@H](CN)c1ccccc1 ZINC000061612202 523267714 /nfs/dbraw/zinc/26/77/14/523267714.db2.gz GTGQHMVIIZBYQR-MRXNPFEDSA-N 0 3 284.359 2.093 10 0 CEAEHN CN(Cc1cccc(F)c1)Cc1cccnc1CN ZINC000061656493 523310408 /nfs/dbraw/zinc/31/04/08/523310408.db2.gz CPPVQTYITKYEFY-UHFFFAOYSA-N 0 3 259.328 2.311 10 0 CEAEHN CO[C@@H](C(=O)Nc1cccc(CN)c1)c1ccccc1 ZINC000050436852 523335590 /nfs/dbraw/zinc/33/55/90/523335590.db2.gz XZPIOQDHNUFCIA-OAHLLOKOSA-N 0 3 270.332 2.472 10 0 CEAEHN CC[C@H]1COCCN1c1ncc([C@@H](C)NC)s1 ZINC000054904715 523338041 /nfs/dbraw/zinc/33/80/41/523338041.db2.gz IWQLVRNOPIZVEB-ZJUUUORDSA-N 0 3 255.387 2.039 10 0 CEAEHN COCCCOc1ccc(Cl)cc1CNCCOC ZINC000062730990 523415228 /nfs/dbraw/zinc/41/52/28/523415228.db2.gz YJSXXMKORMWJDA-UHFFFAOYSA-N 0 3 287.787 2.491 10 0 CEAEHN CC[C@@H]1COCCN1c1nc(C2CC2)c(CN)s1 ZINC000069179957 523503630 /nfs/dbraw/zinc/50/36/30/523503630.db2.gz LJXNLKRSGAKLMH-SNVBAGLBSA-N 0 3 267.398 2.094 10 0 CEAEHN COc1ccc(Br)cc1NCCN(C)C ZINC000049566843 523504293 /nfs/dbraw/zinc/50/42/93/523504293.db2.gz CLRWVHBNFWWTQV-UHFFFAOYSA-N 0 3 273.174 2.431 10 0 CEAEHN CCn1ccnc1[C@H](N)Cc1cc(F)cc(F)c1 ZINC000069498017 523555342 /nfs/dbraw/zinc/55/53/42/523555342.db2.gz SNJILKHCCOCZOY-GFCCVEGCSA-N 0 3 251.280 2.424 10 0 CEAEHN CCn1nccc1[C@@H](Cc1ccc(OC)cc1)NC ZINC000069471442 523744425 /nfs/dbraw/zinc/74/44/25/523744425.db2.gz OOJHAERADLDLIZ-CQSZACIVSA-N 0 3 259.353 2.415 10 0 CEAEHN CC[C@H](C(=O)N1[C@H](C)CNC[C@@H]1C)c1ccccc1 ZINC000069132831 523769847 /nfs/dbraw/zinc/76/98/47/523769847.db2.gz YQJHKCNZDMCFDB-GUTXKFCHSA-N 0 3 260.381 2.389 10 0 CEAEHN CN1CCC(Oc2cccc(Cl)c2C(N)=S)CC1 ZINC000052908558 523782994 /nfs/dbraw/zinc/78/29/94/523782994.db2.gz VZPCHLUCOKBSKO-UHFFFAOYSA-N 0 3 284.812 2.447 10 0 CEAEHN COc1ccc(C)cc1CN(C)[C@@H](C)C(N)=S ZINC000050704109 523808626 /nfs/dbraw/zinc/80/86/26/523808626.db2.gz CGJZBIIZJNZLCO-JTQLQIEISA-N 0 3 252.383 2.110 10 0 CEAEHN CN(C(=O)[C@@H](CN)c1ccccc1)c1ccccc1 ZINC000061610590 523892124 /nfs/dbraw/zinc/89/21/24/523892124.db2.gz ADEUECUSQHJFQL-HNNXBMFYSA-N 0 3 254.333 2.392 10 0 CEAEHN COCCNCc1cc(OC)ccc1OC(C)C ZINC000062727684 523950326 /nfs/dbraw/zinc/95/03/26/523950326.db2.gz MEHIDMXADUWJHT-UHFFFAOYSA-N 0 3 253.342 2.218 10 0 CEAEHN COCCNCc1ccc(OC)cc1OCC1CC1 ZINC000062733291 523952035 /nfs/dbraw/zinc/95/20/35/523952035.db2.gz RQKVNXKEUMGIEE-UHFFFAOYSA-N 0 3 265.353 2.220 10 0 CEAEHN CC[C@H](C)N1CCN([C@H](CN)c2cccs2)CC1 ZINC000055063846 523959033 /nfs/dbraw/zinc/95/90/33/523959033.db2.gz WPEGHSZIVUIXQY-QWHCGFSZSA-N 0 3 267.442 2.164 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc3c([nH]2)CCc2sccc2-3)C1 ZINC000061327099 524009278 /nfs/dbraw/zinc/00/92/78/524009278.db2.gz AJXASNWMOQZUOB-KCJUWKMLSA-N 0 3 275.377 2.286 10 0 CEAEHN COc1ccc(CN2CCC[C@H]2CCCO)cc1OC ZINC000052762144 524030605 /nfs/dbraw/zinc/03/06/05/524030605.db2.gz BWQBSDCBKUGHQB-AWEZNQCLSA-N 0 3 279.380 2.441 10 0 CEAEHN C[C@@H]1CCCN(Cc2nc(NN)ccc2Cl)C1 ZINC000061638932 524237795 /nfs/dbraw/zinc/23/77/95/524237795.db2.gz SXEBCPYIVVKVND-SECBINFHSA-N 0 3 254.765 2.253 10 0 CEAEHN Cc1cccc(C)c1OC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069196927 524318709 /nfs/dbraw/zinc/31/87/09/524318709.db2.gz HNIXVTLPBSXLIC-KRWDZBQOSA-N 0 3 290.407 2.314 10 0 CEAEHN C[C@H](CN1CCCCC1)Nc1cc(C(N)=S)ccn1 ZINC000049502471 524334399 /nfs/dbraw/zinc/33/43/99/524334399.db2.gz MXECJQXVPHEKTL-LLVKDONJSA-N 0 3 278.425 2.002 10 0 CEAEHN Cc1ccc(C[NH3+])cc1NC(=O)c1ccc([O-])cc1 ZINC000050430660 524424921 /nfs/dbraw/zinc/42/49/21/524424921.db2.gz JVENWZOPNZXCFP-UHFFFAOYSA-N 0 3 256.305 2.412 10 0 CEAEHN C[C@@H](CN1CCCC1)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049151446 524595462 /nfs/dbraw/zinc/59/54/62/524595462.db2.gz PRMKRZVVNRNMOC-DZGCQCFKSA-N 0 3 287.407 2.168 10 0 CEAEHN C[C@H]1CN(c2c(F)c(F)c(F)c(F)c2F)CCN1 ZINC000052783318 524666818 /nfs/dbraw/zinc/66/68/18/524666818.db2.gz AESKTNLMIPHKTQ-YFKPBYRVSA-N 0 3 266.213 2.180 10 0 CEAEHN Cc1cc(CN2CCOC[C@@H]2C)oc1CNC1CC1 ZINC000052476174 524699514 /nfs/dbraw/zinc/69/95/14/524699514.db2.gz MDZBUFFFRJSASP-LBPRGKRZSA-N 0 3 264.369 2.061 10 0 CEAEHN C[C@H](N)c1c(F)cccc1Sc1n[nH]c(=O)n1C1CC1 ZINC000061595883 524863075 /nfs/dbraw/zinc/86/30/75/524863075.db2.gz UANDFTYWSVRERH-ZETCQYMHSA-N 0 3 294.355 2.216 10 0 CEAEHN COc1ccc(OC)c([C@H](O)[C@H](N)c2ccccc2)c1 ZINC000054681788 524908601 /nfs/dbraw/zinc/90/86/01/524908601.db2.gz JTHMFMOJIWBYNS-CVEARBPZSA-N 0 3 273.332 2.437 10 0 CEAEHN C[C@@H](Cc1ccco1)NC(=O)[C@@H](CN)c1ccccc1 ZINC000061611716 524926597 /nfs/dbraw/zinc/92/65/97/524926597.db2.gz VBFWFPACLVPYIP-WFASDCNBSA-N 0 3 272.348 2.069 10 0 CEAEHN Cc1cc(F)ccc1[C@@H](CN)N1CCOCC1(C)C ZINC000050578872 525002186 /nfs/dbraw/zinc/00/21/86/525002186.db2.gz AZAGHYOIDXNLSD-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cc3ccccc3o2)CCO1 ZINC000068810707 525057164 /nfs/dbraw/zinc/05/71/64/525057164.db2.gz JKMQXKCMOQRTQF-YPMHNXCESA-N 0 3 260.337 2.153 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc(Cl)cc1 ZINC000069132714 525097877 /nfs/dbraw/zinc/09/78/77/525097877.db2.gz QBQZMLZZJZKGOV-NXEZZACHSA-N 0 3 252.745 2.162 10 0 CEAEHN C[C@](N)(C(=O)N[C@@H]1CCCc2sccc21)C1CC1 ZINC000061365842 525145171 /nfs/dbraw/zinc/14/51/71/525145171.db2.gz FIOMVLHPWQBEOP-BXUZGUMPSA-N 0 3 264.394 2.369 10 0 CEAEHN Cc1ccccc1CSC[C@](C)(NC(C)C)C(N)=O ZINC000054964696 525184134 /nfs/dbraw/zinc/18/41/34/525184134.db2.gz VUFDEJPUSGCWLC-HNNXBMFYSA-N 0 3 280.437 2.470 10 0 CEAEHN COc1ccc([C@@H](O)[C@H](N)c2ccccc2)cc1O ZINC000054682761 525209170 /nfs/dbraw/zinc/20/91/70/525209170.db2.gz DRWPUFZMFQRRSB-HUUCEWRRSA-N 0 3 259.305 2.134 10 0 CEAEHN Cc1cc(NN)nc(-c2ccc3ncccc3c2)n1 ZINC000062802591 525284360 /nfs/dbraw/zinc/28/43/60/525284360.db2.gz AQIAKRHINHNYET-UHFFFAOYSA-N 0 3 251.293 2.286 10 0 CEAEHN Cc1cc(OCCN2CCCCC2)nc(Cl)n1 ZINC000052814024 525372346 /nfs/dbraw/zinc/37/23/46/525372346.db2.gz GLVMEVBKFQCVAE-UHFFFAOYSA-N 0 3 255.749 2.303 10 0 CEAEHN COc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000050596417 525352126 /nfs/dbraw/zinc/35/21/26/525352126.db2.gz PHIFOCATIACCDV-GUTXKFCHSA-N 0 3 278.396 2.113 10 0 CEAEHN Cc1cc(Sc2nc(C)cc(C)c2CN)n(C)n1 ZINC000052310450 525441453 /nfs/dbraw/zinc/44/14/53/525441453.db2.gz KTDCXKYKVFWGGW-UHFFFAOYSA-N 0 3 262.382 2.350 10 0 CEAEHN Cc1nc[nH]c1CN[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000054796375 525464300 /nfs/dbraw/zinc/46/43/00/525464300.db2.gz LSQDILGCOLQYAC-SECBINFHSA-N 0 3 273.340 2.060 10 0 CEAEHN Cc1cccnc1NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000051041053 525543489 /nfs/dbraw/zinc/54/34/89/525543489.db2.gz SPHWXKOPHGGBOU-OAHLLOKOSA-N 0 3 276.428 2.074 10 0 CEAEHN CSC[C@@H](C)CN[C@@H]1COc2cc(O)ccc21 ZINC000069435916 525623880 /nfs/dbraw/zinc/62/38/80/525623880.db2.gz LCWQAPNGERIVAL-JOYOIKCWSA-N 0 3 253.367 2.414 10 0 CEAEHN Cc1ccc(=O)n(C[C@H](N)c2cccc(C(F)(F)F)c2)n1 ZINC000061810426 525977761 /nfs/dbraw/zinc/97/77/61/525977761.db2.gz UWGVDYXGXHNESC-LBPRGKRZSA-N 0 3 297.280 2.271 10 0 CEAEHN C[C@@H](c1cccs1)N(C)CCn1cc(N)cn1 ZINC000050614823 526142466 /nfs/dbraw/zinc/14/24/66/526142466.db2.gz NFVFMZOCTVKFOE-JTQLQIEISA-N 0 3 250.371 2.220 10 0 CEAEHN Cc1cncc([C@@H](C)N[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000184406610 526213284 /nfs/dbraw/zinc/21/32/84/526213284.db2.gz BGQMEUZJSPBDOB-ZBFHGGJFSA-N 0 3 297.406 2.500 10 0 CEAEHN O[C@H]1CCCC[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000062708792 526305414 /nfs/dbraw/zinc/30/54/14/526305414.db2.gz LZMMEWIHIORNEB-NEPJUHHUSA-N 0 3 259.271 2.497 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCCCCO ZINC000174234673 526469281 /nfs/dbraw/zinc/46/92/81/526469281.db2.gz AJIKKROYIHUTLP-ZDUSSCGKSA-N 0 3 286.416 2.138 10 0 CEAEHN Cc1nc(Cc2ccncc2)nc(C)c1CNC1CC1 ZINC000054854356 526928661 /nfs/dbraw/zinc/92/86/61/526928661.db2.gz SSKCKVRPJMIUQV-UHFFFAOYSA-N 0 3 268.364 2.331 10 0 CEAEHN NC(=O)[C@H](CCSc1ccc(F)c(F)c1)NC1CC1 ZINC000062596878 526992870 /nfs/dbraw/zinc/99/28/70/526992870.db2.gz BPCHJEONFUSQST-LBPRGKRZSA-N 0 3 286.347 2.053 10 0 CEAEHN O=C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1Cc2ccccc2O1 ZINC000054603345 527035128 /nfs/dbraw/zinc/03/51/28/527035128.db2.gz ZZDLUMDKKFKKSW-GUTXKFCHSA-N 0 3 257.333 2.186 10 0 CEAEHN NC(=S)c1ccc(Cl)cc1N[C@@H]1CN2CCC1CC2 ZINC000062787958 527118611 /nfs/dbraw/zinc/11/86/11/527118611.db2.gz LTRRRXQYHXZDHV-CYBMUJFWSA-N 0 3 295.839 2.480 10 0 CEAEHN NC[C@@H](c1ccccc1Br)N1CCCOCC1 ZINC000061914287 527207295 /nfs/dbraw/zinc/20/72/95/527207295.db2.gz CLTOVWTWCNIEKL-ZDUSSCGKSA-N 0 3 299.212 2.171 10 0 CEAEHN NCc1cn(CCOc2ccc(Cl)c(Cl)c2)nn1 ZINC000052702557 527261612 /nfs/dbraw/zinc/26/16/12/527261612.db2.gz DZZZJBKYLCYQTG-UHFFFAOYSA-N 0 3 287.150 2.123 10 0 CEAEHN Cn1cc([C@H](CN)N(Cc2ccsc2)C2CC2)cn1 ZINC000048953226 527312943 /nfs/dbraw/zinc/31/29/43/527312943.db2.gz YFCFKALIILYULA-AWEZNQCLSA-N 0 3 276.409 2.146 10 0 CEAEHN N[C@@H](c1cncnc1)C1(c2ccccc2)CCOCC1 ZINC000062783604 527339548 /nfs/dbraw/zinc/33/95/48/527339548.db2.gz OKABKHVYYSIOON-HNNXBMFYSA-N 0 3 269.348 2.225 10 0 CEAEHN N[C@@H]1COc2cc(OCc3cn4ccccc4n3)ccc21 ZINC000062803740 527376263 /nfs/dbraw/zinc/37/62/63/527376263.db2.gz HAVDCMIXPOTQKY-CQSZACIVSA-N 0 3 281.315 2.306 10 0 CEAEHN N[C@H](Cn1ncccc1=O)c1cccc2ccccc21 ZINC000061402825 527391450 /nfs/dbraw/zinc/39/14/50/527391450.db2.gz ALHCYJANDIUUDX-OAHLLOKOSA-N 0 3 265.316 2.097 10 0 CEAEHN Nc1cccnc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702151 527530681 /nfs/dbraw/zinc/53/06/81/527530681.db2.gz XJGJPXLWBJDPET-CQSZACIVSA-N 0 3 269.348 2.317 10 0 CEAEHN OCCN(Cc1ccnc(Cl)c1)C1CCCC1 ZINC000052709840 527551548 /nfs/dbraw/zinc/55/15/48/527551548.db2.gz MRDCZGDHVMYRDH-UHFFFAOYSA-N 0 3 254.761 2.472 10 0 CEAEHN Nc1nc2ccccc2cc1CN1CCC[C@H](CO)C1 ZINC000050791769 527561467 /nfs/dbraw/zinc/56/14/67/527561467.db2.gz BBJPVUVDVXSYEA-LBPRGKRZSA-N 0 3 271.364 2.021 10 0 CEAEHN Cc1nn(-c2ncc(CN)cc2Cl)c(C)c1C ZINC000051493396 527573067 /nfs/dbraw/zinc/57/30/67/527573067.db2.gz HNVBIPQRSPFHJN-UHFFFAOYSA-N 0 3 250.733 2.305 10 0 CEAEHN Cc1nn(C)c(N2C[C@@H](C)OC[C@@H]2C)c1CNC(C)(C)C ZINC000062735846 527677056 /nfs/dbraw/zinc/67/70/56/527677056.db2.gz VNJWSTXGEZLFFI-NWDGAFQWSA-N 0 3 294.443 2.230 10 0 CEAEHN O[C@@]1(c2cncc3ccccc32)CCN(C2CC2)C1 ZINC000069266212 527681990 /nfs/dbraw/zinc/68/19/90/527681990.db2.gz FFQLSOQVSPSUEO-INIZCTEOSA-N 0 3 254.333 2.291 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)CCc2cccs2)C1 ZINC000174236281 529055125 /nfs/dbraw/zinc/05/51/25/529055125.db2.gz ICRWVUAQDIQIBU-CYBMUJFWSA-N 0 3 295.452 2.416 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCc1ccsc1 ZINC000177358049 529095256 /nfs/dbraw/zinc/09/52/56/529095256.db2.gz UVSPCOUWXQMXAI-AWEZNQCLSA-N 0 3 295.452 2.416 10 0 CEAEHN CCNCc1ccc(N2CCC[C@@H]3CCC[C@@H]32)nn1 ZINC000087783480 535478224 /nfs/dbraw/zinc/47/82/24/535478224.db2.gz LQMLFDQSKYSZKK-JSGCOSHPSA-N 0 3 260.385 2.355 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1sccc1Cl ZINC000309781305 538741483 /nfs/dbraw/zinc/74/14/83/538741483.db2.gz MYVQPZZHMFEAJX-VXNVDRBHSA-N 0 3 258.774 2.158 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(C)c(Cl)c2)C1 ZINC000233486911 538875048 /nfs/dbraw/zinc/87/50/48/538875048.db2.gz CWVGDIDVGLMKEU-AWEZNQCLSA-N 0 3 282.815 2.459 10 0 CEAEHN CC1(C)CN[C@]2(CCSC2)O[C@]12CCCOC2 ZINC000757143501 574510311 /nfs/dbraw/zinc/51/03/11/574510311.db2.gz LVJRMCRMNZSOST-QWHCGFSZSA-N 0 3 257.399 2.015 10 0 CEAEHN CC1(C)CN[C@]2(CCSC2)OC12CCOCC2 ZINC000757147142 574510437 /nfs/dbraw/zinc/51/04/37/574510437.db2.gz RWVVAWAFSDBFGR-CYBMUJFWSA-N 0 3 257.399 2.015 10 0 CEAEHN CCCCc1cc(NC(=O)[C@H](N)[C@@H](C)CC)n[nH]1 ZINC000236887810 628728913 /nfs/dbraw/zinc/72/89/13/628728913.db2.gz XKKABOYJLSOUTN-JOYOIKCWSA-N 0 3 252.362 2.064 10 0 CEAEHN Cc1ccnc(N)c1CN1CCC(c2cnn(C)c2)CC1 ZINC000893992930 629074721 /nfs/dbraw/zinc/07/47/21/629074721.db2.gz WYVZTHCFCTYHSU-UHFFFAOYSA-N 0 3 285.395 2.085 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000237017002 629152562 /nfs/dbraw/zinc/15/25/62/629152562.db2.gz UKGIYRFOBCCUGM-QMTHXVAHSA-N 0 3 290.342 2.323 10 0 CEAEHN CC(C)(C)OC(=O)N(CCCCO)c1ccc(CN)nc1 ZINC000757134216 631821925 /nfs/dbraw/zinc/82/19/25/631821925.db2.gz LUNUXZYVBSDRNK-UHFFFAOYSA-N 0 3 295.383 2.054 10 0 CEAEHN Cc1nnsc1CN1CCCCC[C@@H]1C[C@H](C)O ZINC000385275807 642169507 /nfs/dbraw/zinc/16/95/07/642169507.db2.gz HXBVWGLIXMZCHB-CMPLNLGQSA-N 0 3 269.414 2.362 10 0 CEAEHN COCCC[S@](=O)C[C@H](N)c1ccc(C)c(C)c1 ZINC000081998116 177915928 /nfs/dbraw/zinc/91/59/28/177915928.db2.gz UCHLMPXPTUUAKN-KBXCAEBGSA-N 0 3 269.410 2.088 10 0 CEAEHN CCNCc1sc(-c2ccncc2)nc1COC ZINC000082445456 178022552 /nfs/dbraw/zinc/02/25/52/178022552.db2.gz AIJMHLAXUBEYDL-UHFFFAOYSA-N 0 3 263.366 2.461 10 0 CEAEHN NC[C@H](O[C@H]1CCOC1)c1ccc(Br)s1 ZINC000082458965 178033891 /nfs/dbraw/zinc/03/38/91/178033891.db2.gz SURHFVZMXMLIRR-YUMQZZPRSA-N 0 3 292.198 2.316 10 0 CEAEHN CN(C)CCNc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501743 178065904 /nfs/dbraw/zinc/06/59/04/178065904.db2.gz SKJCWHVYSBXUEM-UHFFFAOYSA-N 0 3 268.670 2.122 10 0 CEAEHN O[C@H](CN1CCCCC1)N1C=C(c2ccccc2)OC1 ZINC000095934617 185033466 /nfs/dbraw/zinc/03/34/66/185033466.db2.gz IXSSPBTZDQURHB-MRXNPFEDSA-N 0 3 274.364 2.079 10 0 CEAEHN c1nc(CCNC2=NC[C@@H](C3CC3)S2)cs1 ZINC000082626565 178140524 /nfs/dbraw/zinc/14/05/24/178140524.db2.gz JWLVMCZVJVWQEK-JTQLQIEISA-N 0 3 253.396 2.157 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000125692321 365682998 /nfs/dbraw/zinc/68/29/98/365682998.db2.gz NOUYUICWSDCZJY-QWHCGFSZSA-N 0 3 255.406 2.205 10 0 CEAEHN COCCCN(Cc1ccsc1)CC(C)(C)O ZINC000036115507 361829353 /nfs/dbraw/zinc/82/93/53/361829353.db2.gz YZBAKDHTYJHFCS-UHFFFAOYSA-N 0 3 257.399 2.358 10 0 CEAEHN C[C@H]1NCCO[C@H]1c1cccc(Br)c1 ZINC000096884375 185120426 /nfs/dbraw/zinc/12/04/26/185120426.db2.gz BACMQQRWZKODEZ-LDYMZIIASA-N 0 3 256.143 2.499 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@]2(CSCCN2)C1 ZINC000096944270 185135002 /nfs/dbraw/zinc/13/50/02/185135002.db2.gz NKASXKBOJISQPM-CYBMUJFWSA-N 0 3 272.414 2.093 10 0 CEAEHN N[C@H](c1cncn1Cc1cccs1)[C@H]1CCOC1 ZINC000097013771 185152154 /nfs/dbraw/zinc/15/21/54/185152154.db2.gz BPFRUYREPCJIJX-GWCFXTLKSA-N 0 3 263.366 2.029 10 0 CEAEHN Cc1cc2c(c(Br)c1)NC[C@@]21C[C@@H]1N ZINC000725247758 539192683 /nfs/dbraw/zinc/19/26/83/539192683.db2.gz XBYWERQEVHGQDI-ONGXEEELSA-N 0 3 253.143 2.152 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(Cl)cc2C)C1 ZINC000231747123 539232390 /nfs/dbraw/zinc/23/23/90/539232390.db2.gz UBMUXOFACSHEFR-HNNXBMFYSA-N 0 3 282.815 2.459 10 0 CEAEHN CCN1C[C@H](NCc2ncc(Cl)s2)[C@@H](C)C1 ZINC000309667619 539272876 /nfs/dbraw/zinc/27/28/76/539272876.db2.gz UVIMGSGGFJVPMT-IUCAKERBSA-N 0 3 259.806 2.226 10 0 CEAEHN COc1cccc(-c2ncc(CN)s2)c1OC ZINC000040996830 362011016 /nfs/dbraw/zinc/01/10/16/362011016.db2.gz UVVJCSSMPPNXTG-UHFFFAOYSA-N 0 3 250.323 2.286 10 0 CEAEHN CC[C@H](O)CN1CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000174075650 529702224 /nfs/dbraw/zinc/70/22/24/529702224.db2.gz QNZINMGXKISEAV-RDJZCZTQSA-N 0 3 276.424 2.445 10 0 CEAEHN C[C@H](NCCc1cccs1)C(=O)NC1CCCC1 ZINC000034936687 343421311 /nfs/dbraw/zinc/42/13/11/343421311.db2.gz KSXRMXKXUNLZIB-NSHDSACASA-N 0 3 266.410 2.328 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2cnc3ccccc3n2)C1 ZINC000037321176 343426750 /nfs/dbraw/zinc/42/67/50/343426750.db2.gz QVMLZTRBKYDSCN-YPMHNXCESA-N 0 3 257.337 2.023 10 0 CEAEHN CCN(CC)C(=O)N1CC[C@H](NCc2ccccc2)C1 ZINC000039215888 343436164 /nfs/dbraw/zinc/43/61/64/343436164.db2.gz DJXVPUYANOWYFE-HNNXBMFYSA-N 0 3 275.396 2.312 10 0 CEAEHN COCCCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000048216635 362249686 /nfs/dbraw/zinc/24/96/86/362249686.db2.gz BUGADDSXOUEOPL-OAHLLOKOSA-N 0 3 293.411 2.015 10 0 CEAEHN COc1ccc(CNCC[C@@H]2CCCO2)c(F)c1 ZINC000228596565 539349601 /nfs/dbraw/zinc/34/96/01/539349601.db2.gz RQTNBSFZRCVJHI-LBPRGKRZSA-N 0 3 253.317 2.493 10 0 CEAEHN CCOC(=O)c1ccc(N2C[C@H](C)N(C)[C@@H](C)C2)cc1 ZINC000113030092 344275597 /nfs/dbraw/zinc/27/55/97/344275597.db2.gz FFRKYQXPGWEEMW-STQMWFEESA-N 0 3 276.380 2.392 10 0 CEAEHN C[C@]1(C(=O)NCC(C2CC2)C2CC2)CCCCN1 ZINC000136190251 344384264 /nfs/dbraw/zinc/38/42/64/344384264.db2.gz VMVDYCVWFAMCDL-OAHLLOKOSA-N 0 3 250.386 2.071 10 0 CEAEHN CC(C)N(CCN(C)C)C(=O)N[C@H](C)C(C)(C)C ZINC000158665119 344452048 /nfs/dbraw/zinc/45/20/48/344452048.db2.gz PLRXVWUZEYLZCD-GFCCVEGCSA-N 0 3 257.422 2.403 10 0 CEAEHN C[C@H](Cc1ccccc1F)C(=O)N1CC[C@H](N(C)C)C1 ZINC000158682339 344452068 /nfs/dbraw/zinc/45/20/68/344452068.db2.gz KJFFUAQFLRYVNH-OCCSQVGLSA-N 0 3 278.371 2.167 10 0 CEAEHN Oc1ccc([C@@H]2NCCN[C@H]2c2ccc(O)cc2)cc1 ZINC000222178595 344540617 /nfs/dbraw/zinc/54/06/17/344540617.db2.gz HLGPUULQSDIQOP-HOTGVXAUSA-N 0 3 270.332 2.073 10 0 CEAEHN CCc1ccc([C@H](C)N[C@@H]2CCCNC2=O)s1 ZINC000050395474 362419793 /nfs/dbraw/zinc/41/97/93/362419793.db2.gz VWEJQXMMFYJHAE-GXSJLCMTSA-N 0 3 252.383 2.240 10 0 CEAEHN NCc1cc(CN2C(=O)c3ccccc3C2=O)ccc1F ZINC000236213490 344594569 /nfs/dbraw/zinc/59/45/69/344594569.db2.gz IASVUZLNCPCYJH-UHFFFAOYSA-N 0 3 284.290 2.081 10 0 CEAEHN CCOCCN1CCN([C@@H]2C=CCCC2)C[C@H]1C ZINC000246292387 344615449 /nfs/dbraw/zinc/61/54/49/344615449.db2.gz VDYHDFDUCVPING-HUUCEWRRSA-N 0 3 252.402 2.138 10 0 CEAEHN C[C@@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)C(C)(C)C ZINC000246747223 344618043 /nfs/dbraw/zinc/61/80/43/344618043.db2.gz ZBFXZZXBGQFWPI-UPJWGTAASA-N 0 3 269.433 2.403 10 0 CEAEHN CN(C)C[C@H](NC(=O)NCc1ccco1)c1ccccc1 ZINC000053249480 362489005 /nfs/dbraw/zinc/48/90/05/362489005.db2.gz COBIWSLKRZGAAL-HNNXBMFYSA-N 0 3 287.363 2.382 10 0 CEAEHN NCc1ccc(Br)nc1OC(F)(F)F ZINC000238676961 344607767 /nfs/dbraw/zinc/60/77/67/344607767.db2.gz CCULRKMBXLDKOC-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN O=S1(=O)CCC[C@H](N[C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000251538188 344636573 /nfs/dbraw/zinc/63/65/73/344636573.db2.gz YBVNRCGBANIQRR-AXFHLTTASA-N 0 3 299.358 2.274 10 0 CEAEHN Cc1nnsc1CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000311588660 344734868 /nfs/dbraw/zinc/73/48/68/344734868.db2.gz ZLDPSQOYZFJVLD-UPJWGTAASA-N 0 3 281.425 2.362 10 0 CEAEHN C[C@@H]1C[C@@H](N2CCNC2=O)CCN1Cc1ccccc1 ZINC000306595378 344715180 /nfs/dbraw/zinc/71/51/80/344715180.db2.gz KVEFTJDRGLOBEJ-HIFRSBDPSA-N 0 3 273.380 2.065 10 0 CEAEHN CN(C)c1cc(CN(C)C[C@@H]2CCc3nccn3C2)ccn1 ZINC000328635906 344757349 /nfs/dbraw/zinc/75/73/49/344757349.db2.gz NULYCWXOXYSTIO-HNNXBMFYSA-N 0 3 299.422 2.039 10 0 CEAEHN CN(Cc1cccc(C(N)=O)c1)C[C@H]1CCc2nccn2C1 ZINC000328639054 344757620 /nfs/dbraw/zinc/75/76/20/344757620.db2.gz PJYHNIRQDSFCBO-CQSZACIVSA-N 0 3 298.390 2.461 10 0 CEAEHN Cc1noc(C)c1CN(C)C[C@H]1CCc2nccn2C1 ZINC000328655396 344757737 /nfs/dbraw/zinc/75/77/37/344757737.db2.gz YIGHGHJZSGATEC-CYBMUJFWSA-N 0 3 274.368 2.182 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccncc1C#N ZINC000399615096 344858838 /nfs/dbraw/zinc/85/88/38/344858838.db2.gz ZAFBXIQYEIBWDQ-AWEZNQCLSA-N 0 3 280.375 2.308 10 0 CEAEHN CCCN[C@H](C[S@](=O)CC)c1ccc2c(c1)OCCO2 ZINC000084007304 178771133 /nfs/dbraw/zinc/77/11/33/178771133.db2.gz AYSNDLQRSNADJP-XCLFUZPHSA-N 0 3 297.420 2.267 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000054073105 362508996 /nfs/dbraw/zinc/50/89/96/362508996.db2.gz GGVVVRZKBHXHFD-RKDXNWHRSA-N 0 3 272.295 2.073 10 0 CEAEHN CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C)NC ZINC000054075051 362510512 /nfs/dbraw/zinc/51/05/12/362510512.db2.gz MZEIUXPDLIQLGW-SNVBAGLBSA-N 0 3 254.761 2.296 10 0 CEAEHN Cc1sc2ncnc(N3CCNC[C@@H]3C)c2c1C ZINC000054374903 362533612 /nfs/dbraw/zinc/53/36/12/362533612.db2.gz BSDZDRMLSZOUHF-QMMMGPOBSA-N 0 3 262.382 2.106 10 0 CEAEHN N[C@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1F ZINC000051017825 232177955 /nfs/dbraw/zinc/17/79/55/232177955.db2.gz CVOPOUKVSMAPGV-OAHLLOKOSA-N 0 3 290.313 2.151 10 0 CEAEHN COc1ccc(OC)c([C@H](N)Cc2c(C)nn(C)c2C)c1 ZINC000097138103 185544476 /nfs/dbraw/zinc/54/44/76/185544476.db2.gz QKSUTYXAXIJFMK-OAHLLOKOSA-N 0 3 289.379 2.297 10 0 CEAEHN O=C(NCc1ccccc1)c1ccc2c(c1)CNC2 ZINC000058084474 362607970 /nfs/dbraw/zinc/60/79/70/362607970.db2.gz GRODWUDTACRESS-UHFFFAOYSA-N 0 3 252.317 2.220 10 0 CEAEHN CC(C)c1ccc(CN(C)CCN(C)CCO)cc1 ZINC000623091476 349935419 /nfs/dbraw/zinc/93/54/19/349935419.db2.gz DEJOKNCAZLPCND-UHFFFAOYSA-N 0 3 264.413 2.166 10 0 CEAEHN CCN[C@H](c1cnnn1C)[C@@H]1CSc2ccccc21 ZINC000097423866 185599961 /nfs/dbraw/zinc/59/99/61/185599961.db2.gz FVFIHYSUWNUGQQ-RISCZKNCSA-N 0 3 274.393 2.355 10 0 CEAEHN CC(C)([C@@H](CC[C@H]1CCCO1)NN)N1CCCCC1 ZINC000097581710 185630242 /nfs/dbraw/zinc/63/02/42/185630242.db2.gz XRTUGIZYCAFTTK-ZIAGYGMSSA-N 0 3 269.433 2.042 10 0 CEAEHN CC[C@](C)([C@H](Cc1cccc(F)c1F)NN)N(C)C ZINC000097583292 185631160 /nfs/dbraw/zinc/63/11/60/185631160.db2.gz ZDWNYWIYVLJHRV-GXTWGEPZSA-N 0 3 271.355 2.070 10 0 CEAEHN CCOc1ccc([C@@H](NN)[C@@](C)(CC)N(C)C)cc1 ZINC000097582962 185631643 /nfs/dbraw/zinc/63/16/43/185631643.db2.gz XNILVJHFRZJNKW-HUUCEWRRSA-N 0 3 265.401 2.320 10 0 CEAEHN Cc1cnn(CCN[C@@H](C)c2cnc3cc(C)nn3c2C)c1 ZINC000179452720 232393979 /nfs/dbraw/zinc/39/39/79/232393979.db2.gz NPMKOTRSVYUOCN-ZDUSSCGKSA-N 0 3 298.394 2.202 10 0 CEAEHN NN[C@@H](c1cccnc1)C1(N2CCCCC2)CCCC1 ZINC000097588704 185633867 /nfs/dbraw/zinc/63/38/67/185633867.db2.gz OLHXJAUYXOISFP-HNNXBMFYSA-N 0 3 274.412 2.385 10 0 CEAEHN CCN[C@@](CO)(CO[C@@H](C)CC)c1ccccc1 ZINC000085286979 179004787 /nfs/dbraw/zinc/00/47/87/179004787.db2.gz CZVXMMQZPREVIB-ZFWWWQNUSA-N 0 3 251.370 2.299 10 0 CEAEHN Cc1ccc2[nH]c(SC[C@@H](CO)NC3CC3)nc2c1 ZINC000085288331 179005178 /nfs/dbraw/zinc/00/51/78/179005178.db2.gz SVHSZRXXCNZWTE-LLVKDONJSA-N 0 3 277.393 2.076 10 0 CEAEHN Cc1ccc2nc(SC[C@@H](CO)NC3CC3)[nH]c2c1 ZINC000085288331 179005181 /nfs/dbraw/zinc/00/51/81/179005181.db2.gz SVHSZRXXCNZWTE-LLVKDONJSA-N 0 3 277.393 2.076 10 0 CEAEHN CCCN[C@H](CCO)c1ccc(OC)cc1OC ZINC000085320584 179014215 /nfs/dbraw/zinc/01/42/15/179014215.db2.gz ABXJGLHSYLOFIG-CYBMUJFWSA-N 0 3 253.342 2.127 10 0 CEAEHN CC[C@H]1CN[C@@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085505608 179084728 /nfs/dbraw/zinc/08/47/28/179084728.db2.gz GJOKGJCBYLONQU-DLBZAZTESA-N 0 3 284.407 2.345 10 0 CEAEHN CCCc1ccc([C@@H](NC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020567 179217804 /nfs/dbraw/zinc/21/78/04/179217804.db2.gz VIDCAWFXIZBAIH-HUUCEWRRSA-N 0 3 281.421 2.334 10 0 CEAEHN CCc1ccc([C@H](NC)[C@H]2CCS(=O)(=O)C2)s1 ZINC000086020347 179218084 /nfs/dbraw/zinc/21/80/84/179218084.db2.gz YZHFNFZCKRBEKH-JOYOIKCWSA-N 0 3 273.423 2.006 10 0 CEAEHN COc1ccccc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000128612174 187380070 /nfs/dbraw/zinc/38/00/70/187380070.db2.gz PRAKQNWBGTWGRP-CQSZACIVSA-N 0 3 286.379 2.199 10 0 CEAEHN CCN[C@@H]1CCCc2sc(N3CCCN(C)CC3)nc21 ZINC000086441955 179293501 /nfs/dbraw/zinc/29/35/01/179293501.db2.gz ABDZERZARIJWSA-GFCCVEGCSA-N 0 3 294.468 2.272 10 0 CEAEHN CCN1CCN(c2nc3c(s2)CCC[C@@H]3N)C[C@@H]1C ZINC000086444154 179293798 /nfs/dbraw/zinc/29/37/98/179293798.db2.gz NDERYVLTTWPJJR-QWRGUYRKSA-N 0 3 280.441 2.010 10 0 CEAEHN CN[C@H]1CCCc2sc(N(C)[C@@H](C)COC)nc21 ZINC000086443271 179293881 /nfs/dbraw/zinc/29/38/81/179293881.db2.gz BXXWHYYBVNVVBB-UWVGGRQHSA-N 0 3 269.414 2.211 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)[C@@H](CC)CN1 ZINC000086446314 179295138 /nfs/dbraw/zinc/29/51/38/179295138.db2.gz XWWIRKGPNZOBBR-NEPJUHHUSA-N 0 3 286.379 2.166 10 0 CEAEHN CC[C@@H]1CN(C(=O)/C=C/c2ccco2)[C@@H](CC)CN1 ZINC000086446960 179295373 /nfs/dbraw/zinc/29/53/73/179295373.db2.gz MEZMYNRVPAQUAU-NAISLTENSA-N 0 3 262.353 2.282 10 0 CEAEHN C[C@@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccnc1 ZINC000086485712 179301838 /nfs/dbraw/zinc/30/18/38/179301838.db2.gz SGIMWXHFNUNEQW-BNOWGMLFSA-N 0 3 282.409 2.088 10 0 CEAEHN C[C@H](NCC(C)(C)S(C)(=O)=O)c1ccsc1 ZINC000086503306 179302910 /nfs/dbraw/zinc/30/29/10/179302910.db2.gz MYCJEKSUIATQKS-VIFPVBQESA-N 0 3 261.412 2.222 10 0 CEAEHN COC(OC)[C@H](N)Cc1cc(Cl)ccc1Cl ZINC000086451793 179296388 /nfs/dbraw/zinc/29/63/88/179296388.db2.gz INUWDQWMHRXENX-SNVBAGLBSA-N 0 3 264.152 2.482 10 0 CEAEHN CN[C@H](Cc1sccc1Br)C(OC)OC ZINC000086452089 179296417 /nfs/dbraw/zinc/29/64/17/179296417.db2.gz YEBBUEHZQBOEJH-MRVPVSSYSA-N 0 3 294.214 2.260 10 0 CEAEHN CN[C@H](CN(C)C)c1cscc1Br ZINC000086555970 179307306 /nfs/dbraw/zinc/30/73/06/179307306.db2.gz ZZXDSFSUWYFVPJ-SECBINFHSA-N 0 3 263.204 2.333 10 0 CEAEHN N[C@H](Cc1ccccc1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000086567207 179308100 /nfs/dbraw/zinc/30/81/00/179308100.db2.gz TXDPBCMXCOIZQO-LSDHHAIUSA-N 0 3 287.384 2.128 10 0 CEAEHN COc1ccc([C@H](CN)N(C)C[C@@H]2CCCO2)cc1Cl ZINC000086586611 179309861 /nfs/dbraw/zinc/30/98/61/179309861.db2.gz QMKPERRSLZLGSU-JSGCOSHPSA-N 0 3 298.814 2.459 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2ccc(OC)c(Cl)c2)CCO1 ZINC000086586493 179310005 /nfs/dbraw/zinc/31/00/05/179310005.db2.gz HJTSRRSTMZOWHI-JSGCOSHPSA-N 0 3 298.814 2.459 10 0 CEAEHN CCOC(=O)CCNCc1ccc(OC)c(Cl)c1 ZINC000086585873 179310097 /nfs/dbraw/zinc/31/00/97/179310097.db2.gz RHBRKKMXETUOGR-UHFFFAOYSA-N 0 3 271.744 2.391 10 0 CEAEHN C[C@@H]1CN=C(NC[C@@H]2Cc3ccccc3O2)SC1 ZINC000086633264 179314929 /nfs/dbraw/zinc/31/49/29/179314929.db2.gz SWGRLZVZUDDNCO-PWSUYJOCSA-N 0 3 262.378 2.319 10 0 CEAEHN CN1CC[C@](O)(Cc2cc(F)cc(Br)c2)C1 ZINC000086695457 179320918 /nfs/dbraw/zinc/32/09/18/179320918.db2.gz LPKJQGHVXBWIBL-LBPRGKRZSA-N 0 3 288.160 2.197 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1 ZINC000086670698 179317035 /nfs/dbraw/zinc/31/70/35/179317035.db2.gz HRDDXSZCZAOLHD-ZIAGYGMSSA-N 0 3 267.394 2.050 10 0 CEAEHN CCN1CC[C@H](N[C@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897080 365940225 /nfs/dbraw/zinc/94/02/25/365940225.db2.gz OQTFJDOQTWJATB-OLZOCXBDSA-N 0 3 278.396 2.449 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)Nc2cccc(CN(C)C)c2)O1 ZINC000130421550 365953829 /nfs/dbraw/zinc/95/38/29/365953829.db2.gz QAPXZIURLQOCNQ-BXUZGUMPSA-N 0 3 262.353 2.254 10 0 CEAEHN C[C@@H]1CCC[C@@H](N(C)Cc2c[nH]c(=NN)s2)C1 ZINC000086767518 179325781 /nfs/dbraw/zinc/32/57/81/179325781.db2.gz QZWAVAKLXLGLQZ-NXEZZACHSA-N 0 3 254.403 2.439 10 0 CEAEHN COC(=O)[C@@]1(Nc2ccc(C)cc2)CCCN(C)CC1 ZINC000086819801 179348084 /nfs/dbraw/zinc/34/80/84/179348084.db2.gz RVLGGHMFRXWWDP-MRXNPFEDSA-N 0 3 276.380 2.434 10 0 CEAEHN CCCN1CCC[C@@](N)(c2noc(C(C)C)n2)CC1 ZINC000086851756 179359524 /nfs/dbraw/zinc/35/95/24/179359524.db2.gz DNVRYMPAVISMMV-AWEZNQCLSA-N 0 3 266.389 2.243 10 0 CEAEHN CC(C)c1nc([C@@]2(N)CCCN(C(C)C)CC2)no1 ZINC000086851751 179359852 /nfs/dbraw/zinc/35/98/52/179359852.db2.gz QXFWRCCFDLBXCM-CQSZACIVSA-N 0 3 266.389 2.241 10 0 CEAEHN CCCN1CCC[C@@](CC(=O)[O-])([NH+](CC)CC)CC1 ZINC000086868497 179360528 /nfs/dbraw/zinc/36/05/28/179360528.db2.gz WBHGZILFZWXXDJ-OAHLLOKOSA-N 0 3 270.417 2.438 10 0 CEAEHN CCCN1CCC[C@@](C(=O)[O-])([NH+](CC)CC)CC1 ZINC000086867807 179361052 /nfs/dbraw/zinc/36/10/52/179361052.db2.gz UOWDULIOZPBLNZ-CQSZACIVSA-N 0 3 256.390 2.048 10 0 CEAEHN CC(C)N1CCC[C@@H]([NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000086868585 179362632 /nfs/dbraw/zinc/36/26/32/179362632.db2.gz RQHSTKNHSMITQO-CQSZACIVSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)[N@@H+]1CCC[C@@H](N2CCC(C(=O)[O-])CC2)CC1 ZINC000086868585 179362633 /nfs/dbraw/zinc/36/26/33/179362633.db2.gz RQHSTKNHSMITQO-CQSZACIVSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)[N@H+]1CCC[C@@H](N2CCC(C(=O)[O-])CC2)CC1 ZINC000086868585 179362634 /nfs/dbraw/zinc/36/26/34/179362634.db2.gz RQHSTKNHSMITQO-CQSZACIVSA-N 0 3 268.401 2.046 10 0 CEAEHN CC[N@H+](CCC(=O)[O-])[C@H]1CCCN(C(C)C)CC1 ZINC000086868861 179362716 /nfs/dbraw/zinc/36/27/16/179362716.db2.gz OQGHWKLZNYBDFN-ZDUSSCGKSA-N 0 3 256.390 2.046 10 0 CEAEHN CC[N@@H+](CCC(=O)[O-])[C@H]1CCCN(C(C)C)CC1 ZINC000086868861 179362718 /nfs/dbraw/zinc/36/27/18/179362718.db2.gz OQGHWKLZNYBDFN-ZDUSSCGKSA-N 0 3 256.390 2.046 10 0 CEAEHN CCN1CCC[C@](NCc2cccs2)(C(=O)OC)CC1 ZINC000086850317 179358153 /nfs/dbraw/zinc/35/81/53/179358153.db2.gz XWZKYDFMEPNDQW-OAHLLOKOSA-N 0 3 296.436 2.255 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1cc(F)c(F)c(F)c1 ZINC000086979108 179372648 /nfs/dbraw/zinc/37/26/48/179372648.db2.gz OLIPOXQCEOATPN-LLVKDONJSA-N 0 3 295.326 2.319 10 0 CEAEHN CCCN[C@H](CCCS(=O)(=O)CC)c1ccccn1 ZINC000086978746 179372778 /nfs/dbraw/zinc/37/27/78/179372778.db2.gz UGEVATAAZVRVOD-CQSZACIVSA-N 0 3 284.425 2.337 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](NC)c1ccc(F)cc1F ZINC000086979535 179373412 /nfs/dbraw/zinc/37/34/12/179373412.db2.gz KBSLRXYGKDWRAG-CYBMUJFWSA-N 0 3 291.363 2.440 10 0 CEAEHN COCCN[C@@]1(c2nc3c(s2)CCC3)CCCOCC1 ZINC000086877117 179365648 /nfs/dbraw/zinc/36/56/48/179365648.db2.gz BIDSVDHVNIUIDM-HNNXBMFYSA-N 0 3 296.436 2.264 10 0 CEAEHN CC[C@@H]1CCC[C@](NCCN(C)C)(C(=O)OC)CC1 ZINC000086915915 179367217 /nfs/dbraw/zinc/36/72/17/179367217.db2.gz SIGNFZZXIDGTPK-UKRRQHHQSA-N 0 3 270.417 2.040 10 0 CEAEHN Cc1nc([C@H]2CSCCS2)ncc1[C@@H](C)N ZINC000086985382 179373877 /nfs/dbraw/zinc/37/38/77/179373877.db2.gz DMKRGEOXHNWWIM-GMSGAONNSA-N 0 3 255.412 2.326 10 0 CEAEHN CCS(=O)(=O)CCC[C@](C)(N)c1ccccc1F ZINC000086977341 179372053 /nfs/dbraw/zinc/37/20/53/179372053.db2.gz XJKNBLUTULWDGD-ZDUSSCGKSA-N 0 3 273.373 2.215 10 0 CEAEHN CC(C)(O)CNCc1cccc(NC(=O)C(F)(F)F)c1 ZINC000087010657 179379121 /nfs/dbraw/zinc/37/91/21/179379121.db2.gz RDRCHPIGTCMBGL-UHFFFAOYSA-N 0 3 290.285 2.048 10 0 CEAEHN COc1ccc([C@@H](CN)N(C)Cc2cscn2)cc1F ZINC000086991981 179375623 /nfs/dbraw/zinc/37/56/23/179375623.db2.gz NXTBEMRGISVUGI-CYBMUJFWSA-N 0 3 295.383 2.423 10 0 CEAEHN C[C@H](NCC1(O)CCC(C)(C)CC1)C(=O)N1CCCCC1 ZINC000087063420 179389998 /nfs/dbraw/zinc/38/99/98/179389998.db2.gz PYZKEYZNIYEQOU-AWEZNQCLSA-N 0 3 296.455 2.308 10 0 CEAEHN Cc1nc(C)c([C@H](C)[NH2+]CC2(O)CCCCCC2)c(=O)[n-]1 ZINC000087088937 179393576 /nfs/dbraw/zinc/39/35/76/179393576.db2.gz DFSHAYIWUUYSNV-NSHDSACASA-N 0 3 293.411 2.123 10 0 CEAEHN Cn1cc([C@H](CN)OCc2ccc(Cl)cc2)cn1 ZINC000087092860 179394168 /nfs/dbraw/zinc/39/41/68/179394168.db2.gz JWEUKTLCLNAXGP-ZDUSSCGKSA-N 0 3 265.744 2.290 10 0 CEAEHN CC[C@H]1CNC[C@H](c2ccc(OC)c(OC)c2OC)O1 ZINC000087090151 179394190 /nfs/dbraw/zinc/39/41/90/179394190.db2.gz KLEMKDHVFCMPEM-GXFFZTMASA-N 0 3 281.352 2.152 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2cc(OC)c(OC)cc2OC)O1 ZINC000087090210 179394196 /nfs/dbraw/zinc/39/41/96/179394196.db2.gz ARUPHGAXQKWUSV-MEBBXXQBSA-N 0 3 281.352 2.152 10 0 CEAEHN CCN[C@@H](COC)Cc1nc(CS[C@@H](C)CC)no1 ZINC000087140993 179397599 /nfs/dbraw/zinc/39/75/99/179397599.db2.gz JMNJEOIULWUUEN-WDEREUQCSA-N 0 3 287.429 2.268 10 0 CEAEHN CSC[C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000066829120 362887575 /nfs/dbraw/zinc/88/75/75/362887575.db2.gz BJTKXUMPIUXXEO-NWDGAFQWSA-N 0 3 260.447 2.078 10 0 CEAEHN CC(C)C[C@H](C)N(C)C(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000248568062 539636983 /nfs/dbraw/zinc/63/69/83/539636983.db2.gz FIGIYSVRHJTJOA-BFHYXJOUSA-N 0 3 270.417 2.037 10 0 CEAEHN OCCc1ccc([C@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000616633166 348542066 /nfs/dbraw/zinc/54/20/66/348542066.db2.gz MZKPDLQYXRBOGU-LJQANCHMSA-N 0 3 296.414 2.368 10 0 CEAEHN CCN1CCCO[C@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616650162 348547940 /nfs/dbraw/zinc/54/79/40/348547940.db2.gz VSMVHMLEJDYBCD-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN c1nc([C@@H]2CN(Cc3ccccc3)CCCO2)c[nH]1 ZINC000616651629 348548637 /nfs/dbraw/zinc/54/86/37/348548637.db2.gz CYCWXKDZCXLVKY-HNNXBMFYSA-N 0 3 257.337 2.373 10 0 CEAEHN COc1ccc(CN(C)CC(F)(F)F)cc1CN ZINC000087825604 179495197 /nfs/dbraw/zinc/49/51/97/179495197.db2.gz BLZNGEAGRJFOPH-UHFFFAOYSA-N 0 3 262.275 2.148 10 0 CEAEHN c1ccc(CN2CCO[C@H](c3ccnnc3)CC2)cc1 ZINC000616591974 348527441 /nfs/dbraw/zinc/52/74/41/348527441.db2.gz AWRRDIOQPUJPSU-INIZCTEOSA-N 0 3 269.348 2.440 10 0 CEAEHN CCN1CCOC[C@H](c2cnnc3ccccc32)C1 ZINC000616591871 348527502 /nfs/dbraw/zinc/52/75/02/348527502.db2.gz AOGJPXXXXPINEH-GFCCVEGCSA-N 0 3 257.337 2.066 10 0 CEAEHN COCCNCc1cc(C)c(OCOC)c(C)c1 ZINC000087888199 179512489 /nfs/dbraw/zinc/51/24/89/179512489.db2.gz ZVAKXNLTNCMKSB-UHFFFAOYSA-N 0 3 253.342 2.022 10 0 CEAEHN CN1CCc2ccccc2[C@@H]1c1ccccc1C(N)=O ZINC000616677362 348557291 /nfs/dbraw/zinc/55/72/91/348557291.db2.gz LRSJNBCUTHHHCY-MRXNPFEDSA-N 0 3 266.344 2.363 10 0 CEAEHN CC(C)N1CCO[C@H](c2ccccc2CCO)CC1 ZINC000616687257 348560993 /nfs/dbraw/zinc/56/09/93/348560993.db2.gz QQFDSTGBWZMQSD-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN CCCNCc1c(C)nn(C)c1Oc1c(C)nn(C)c1C ZINC000088453561 179607345 /nfs/dbraw/zinc/60/73/45/179607345.db2.gz DRICDQJSIINULS-UHFFFAOYSA-N 0 3 291.399 2.371 10 0 CEAEHN CC[C@@H]1CN(C(=O)CCC(F)(F)F)[C@H](CC)CN1 ZINC000088834127 179680196 /nfs/dbraw/zinc/68/01/96/179680196.db2.gz ZUKZSSWEWUAEJQ-NXEZZACHSA-N 0 3 266.307 2.318 10 0 CEAEHN CN(CCOc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000068047085 362934818 /nfs/dbraw/zinc/93/48/18/362934818.db2.gz ZUHQLQQYLXMBJC-CQSZACIVSA-N 0 3 281.396 2.173 10 0 CEAEHN CCN[C@H](c1ccc(C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000104341410 185975658 /nfs/dbraw/zinc/97/56/58/185975658.db2.gz YALXGARFPUFTBA-TZMCWYRMSA-N 0 3 285.384 2.219 10 0 CEAEHN COc1ccc([C@@H](CN)NC2CC2)c(Cl)c1OC ZINC000104355168 185981587 /nfs/dbraw/zinc/98/15/87/185981587.db2.gz HFIGEVGOHOVPDK-SNVBAGLBSA-N 0 3 270.760 2.109 10 0 CEAEHN CCCn1c2ccccc2nc1[C@]1(C)COC[C@@H]1N ZINC000090571664 180007531 /nfs/dbraw/zinc/00/75/31/180007531.db2.gz OFPLAWNPDYZNSF-DZGCQCFKSA-N 0 3 259.353 2.062 10 0 CEAEHN C[C@@]1(c2nc(-c3ccc(F)cc3Cl)no2)COC[C@@H]1N ZINC000090573778 180007618 /nfs/dbraw/zinc/00/76/18/180007618.db2.gz CJZBOBNWVROGDJ-GXFFZTMASA-N 0 3 297.717 2.144 10 0 CEAEHN C[C@]1(c2nc3cc(F)ccc3n2C2CC2)COC[C@@H]1N ZINC000090571728 180007977 /nfs/dbraw/zinc/00/79/77/180007977.db2.gz SGYDVISRESMZKC-ZFWWWQNUSA-N 0 3 275.327 2.126 10 0 CEAEHN C[C@]1(c2nc(C3CCCCCC3)no2)COC[C@H]1N ZINC000090574163 180008849 /nfs/dbraw/zinc/00/88/49/180008849.db2.gz MTXHZTBAOKLVGT-RISCZKNCSA-N 0 3 265.357 2.123 10 0 CEAEHN CC(C)[C@H](NC(=O)[C@@]1(C)COC[C@@H]1N)c1ccc(F)cc1 ZINC000090586315 180009683 /nfs/dbraw/zinc/00/96/83/180009683.db2.gz YWFJQPHRSXHIKB-DZKIICNBSA-N 0 3 294.370 2.003 10 0 CEAEHN CC[C@H](NC(=O)[C@@]1(C)COC[C@@H]1N)c1cccc(Cl)c1 ZINC000090585501 180009685 /nfs/dbraw/zinc/00/96/85/180009685.db2.gz YBHJFGQIIUIYMJ-YDHLFZDLSA-N 0 3 296.798 2.271 10 0 CEAEHN Cc1cc(OC(C)C)ccc1NC(=O)[C@]1(C)COC[C@H]1N ZINC000090590074 180010342 /nfs/dbraw/zinc/01/03/42/180010342.db2.gz WDVAKIHCECJIGI-GDBMZVCRSA-N 0 3 292.379 2.085 10 0 CEAEHN CCOC(=O)N1CCCSC[C@@H]1CN1CCCCC1 ZINC000090701528 180027876 /nfs/dbraw/zinc/02/78/76/180027876.db2.gz JTDZEFJKFGUYMA-ZDUSSCGKSA-N 0 3 286.441 2.436 10 0 CEAEHN COc1cc(N[C@@H](CC(C)C)CN(C)C)nc(C)n1 ZINC000090792200 180043026 /nfs/dbraw/zinc/04/30/26/180043026.db2.gz KFHVPLSYSGFZQN-LBPRGKRZSA-N 0 3 266.389 2.182 10 0 CEAEHN COc1c(CNC[C@H]2CCCC23CC3)c(C)nn1C ZINC000623824954 350118386 /nfs/dbraw/zinc/11/83/86/350118386.db2.gz TVLLWFBXAYFBNL-GFCCVEGCSA-N 0 3 263.385 2.407 10 0 CEAEHN N[C@H]1COc2cc(OC[C@@H]3Cc4ccccc4O3)ccc21 ZINC000090873954 180050032 /nfs/dbraw/zinc/05/00/32/180050032.db2.gz AUWYCIOMVBWIIN-ZFWWWQNUSA-N 0 3 283.327 2.461 10 0 CEAEHN Cc1cccc(CNC[C@@H]2Cc3ccccc3O2)n1 ZINC000090874542 180050983 /nfs/dbraw/zinc/05/09/83/180050983.db2.gz TUOCRVKACVRSPK-HNNXBMFYSA-N 0 3 254.333 2.483 10 0 CEAEHN CCOc1ccccc1[C@H](CN1C[C@H]2CC[C@@H](C1)O2)NC ZINC000090906005 180061311 /nfs/dbraw/zinc/06/13/11/180061311.db2.gz MMDFQTSJVHFOON-LZWOXQAQSA-N 0 3 290.407 2.209 10 0 CEAEHN CC(C)CNCc1csc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090908321 180062225 /nfs/dbraw/zinc/06/22/25/180062225.db2.gz KBFANOWWCUQCCC-BETUJISGSA-N 0 3 281.425 2.256 10 0 CEAEHN NCc1cccc(C(=O)NC[C@H]2Cc3ccccc32)c1 ZINC000090992109 180081589 /nfs/dbraw/zinc/08/15/89/180081589.db2.gz FBSVSHQHEDABDU-OAHLLOKOSA-N 0 3 266.344 2.215 10 0 CEAEHN CC1CCC(OC(=O)C[C@@H]2CSCCN2)CC1 ZINC000091129934 180101347 /nfs/dbraw/zinc/10/13/47/180101347.db2.gz LZLFLLWPOVIJIG-MOENNCHZSA-N 0 3 257.399 2.203 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2)cn1 ZINC000091358868 180140588 /nfs/dbraw/zinc/14/05/88/180140588.db2.gz UKXMWRCZGZKCRR-XBFCOCLRSA-N 0 3 289.379 2.340 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1SC[C@@H](C)CO ZINC000091261451 180116086 /nfs/dbraw/zinc/11/60/86/180116086.db2.gz BABSFVVCXIZWRC-TUKIKUTGSA-N 0 3 281.421 2.460 10 0 CEAEHN COc1ccc(NC(=O)C[C@H]2CSCCN2)cc1C ZINC000091290501 180122057 /nfs/dbraw/zinc/12/20/57/180122057.db2.gz KQKVUKFMIMMVQT-LBPRGKRZSA-N 0 3 280.393 2.037 10 0 CEAEHN CC1(C)Cc2cccc(Oc3cncc(CN)n3)c2O1 ZINC000091434281 180154381 /nfs/dbraw/zinc/15/43/81/180154381.db2.gz YUKKQRSKWPHWOZ-UHFFFAOYSA-N 0 3 271.320 2.441 10 0 CEAEHN CC(C)NCc1cncc(O[C@@H](C)C(F)(F)F)n1 ZINC000091435609 180154516 /nfs/dbraw/zinc/15/45/16/180154516.db2.gz VWXVXURVRKNEJA-QMMMGPOBSA-N 0 3 263.263 2.304 10 0 CEAEHN Cc1cc([C@H]2[C@H](CN)OCCN2C)ccc1Br ZINC000091475414 180165314 /nfs/dbraw/zinc/16/53/14/180165314.db2.gz UUOMLLGSUSSNFP-STQMWFEESA-N 0 3 299.212 2.088 10 0 CEAEHN COc1ccc([C@@H](C)NCC2CC(O)C2)c(F)c1 ZINC000091415520 180149618 /nfs/dbraw/zinc/14/96/18/180149618.db2.gz PMFXAZFTMCDFKS-KPPDAEKUSA-N 0 3 253.317 2.256 10 0 CEAEHN CCN(c1cccc(F)c1)c1cncc(CNC)n1 ZINC000091419891 180150765 /nfs/dbraw/zinc/15/07/65/180150765.db2.gz SYHLTMKCVMSIGX-UHFFFAOYSA-N 0 3 260.316 2.493 10 0 CEAEHN Cc1nn(-c2cncc(CNC(C)(C)C)n2)c(C)c1C ZINC000091422443 180151401 /nfs/dbraw/zinc/15/14/01/180151401.db2.gz NGCYRRZBEHGCJM-UHFFFAOYSA-N 0 3 273.384 2.476 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)N(C)C2CC2)o1 ZINC000105087026 186041502 /nfs/dbraw/zinc/04/15/02/186041502.db2.gz IADNSBCEAPFQJA-ZYHUDNBSSA-N 0 3 279.384 2.431 10 0 CEAEHN CC(C)c1nn(C)c(NC[C@@H]2CCCCN2C)c1N ZINC000091580890 180199119 /nfs/dbraw/zinc/19/91/19/180199119.db2.gz JXHWDLZRBGZCMJ-NSHDSACASA-N 0 3 265.405 2.022 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cncc(F)c1)N1CCCC1 ZINC000091605632 180204601 /nfs/dbraw/zinc/20/46/01/180204601.db2.gz LHVJEPGXHIFTCA-KBPBESRZSA-N 0 3 251.349 2.485 10 0 CEAEHN CCN[C@@H](c1cncnc1)C(CC)(CC)N(C)C ZINC000091614663 180207723 /nfs/dbraw/zinc/20/77/23/180207723.db2.gz GJMAKANBSXTUDC-ZDUSSCGKSA-N 0 3 250.390 2.248 10 0 CEAEHN CN[C@H](c1ccc(OC)cc1OC)C(C)(C)N(C)C ZINC000091528581 180180942 /nfs/dbraw/zinc/18/09/42/180180942.db2.gz LRFOBEGRCPQKQD-CQSZACIVSA-N 0 3 266.385 2.305 10 0 CEAEHN CCCN[C@@H](c1cncnc1)C(C)(C)N1CCCC1 ZINC000091536144 180182413 /nfs/dbraw/zinc/18/24/13/180182413.db2.gz DEERYJPBWOUVQA-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN CCCN1C(=O)C[C@@H](N[C@@H](C)CCCC(C)C)C1=O ZINC000105028378 186038820 /nfs/dbraw/zinc/03/88/20/186038820.db2.gz CASPHEPUETZHER-QWHCGFSZSA-N 0 3 268.401 2.328 10 0 CEAEHN CCn1ncnc1CC(=O)C(CC)(CC)N1CCCC1 ZINC000091634310 180210649 /nfs/dbraw/zinc/21/06/49/180210649.db2.gz MJTYKAZDZXDYFL-UHFFFAOYSA-N 0 3 278.400 2.064 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NC[C@@H]1CN(C)CCO1 ZINC000091666719 180222484 /nfs/dbraw/zinc/22/24/84/180222484.db2.gz JZVHYXGJGJJZPB-ZIAGYGMSSA-N 0 3 278.396 2.067 10 0 CEAEHN CC[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1nc(C)cs1 ZINC000105307793 186051192 /nfs/dbraw/zinc/05/11/92/186051192.db2.gz CGNXPWDMEXMKPM-NWDGAFQWSA-N 0 3 296.440 2.248 10 0 CEAEHN CCCOc1ccc([C@@H](NC)[C@@H]2CN(C)CCO2)cc1 ZINC000091718035 180232240 /nfs/dbraw/zinc/23/22/40/180232240.db2.gz WEBDDILCZPWRAF-JKSUJKDBSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@@H](c1ccsc1)[C@H]1CN(C)CCO1 ZINC000091718972 180233222 /nfs/dbraw/zinc/23/32/22/180233222.db2.gz WRPVHMUXSGQFCS-OLZOCXBDSA-N 0 3 254.399 2.119 10 0 CEAEHN CCCN[C@@H](c1ccsc1)[C@@H]1CN(C)CCO1 ZINC000091718970 180233667 /nfs/dbraw/zinc/23/36/67/180233667.db2.gz WRPVHMUXSGQFCS-STQMWFEESA-N 0 3 254.399 2.119 10 0 CEAEHN CCCN[C@@H](c1cccc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719204 180234224 /nfs/dbraw/zinc/23/42/24/180234224.db2.gz YCTDZZWNFQSUGW-CVEARBPZSA-N 0 3 262.397 2.366 10 0 CEAEHN CSc1ccc([C@H](C)N[C@@H]2CCOC[C@@H]2O)cc1 ZINC000624235358 350238470 /nfs/dbraw/zinc/23/84/70/350238470.db2.gz JDVFMDAMWHRVSM-GDLCADMTSA-N 0 3 267.394 2.209 10 0 CEAEHN Cc1ccc(C)c([C@H](N)[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091720649 180236902 /nfs/dbraw/zinc/23/69/02/180236902.db2.gz XHNGWWSPIFXXLO-KBMXLJTQSA-N 0 3 260.381 2.166 10 0 CEAEHN CC[C@H](N[C@H]1CCOC[C@H]1O)c1cccc(F)c1 ZINC000624237696 350240572 /nfs/dbraw/zinc/24/05/72/350240572.db2.gz BRHVHUHFUVKQNK-MELADBBJSA-N 0 3 253.317 2.016 10 0 CEAEHN Cc1noc(CCNCc2ccccc2Br)n1 ZINC000105469663 186059425 /nfs/dbraw/zinc/05/94/25/186059425.db2.gz XIMWFSNFZQHFKP-UHFFFAOYSA-N 0 3 296.168 2.473 10 0 CEAEHN CCN(C(=O)c1cc(OC)ccc1[O-])C1CCC([NH3+])CC1 ZINC000091850114 180272428 /nfs/dbraw/zinc/27/24/28/180272428.db2.gz MNIGPKYAISSRGG-UHFFFAOYSA-N 0 3 292.379 2.133 10 0 CEAEHN CN[C@@H](C)c1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092054409 180314216 /nfs/dbraw/zinc/31/42/16/180314216.db2.gz SEFSREZQGYWUGJ-AAEUAGOBSA-N 0 3 298.814 2.330 10 0 CEAEHN CC1CCN(C(=O)N[C@H]2c3ccccc3C[C@@H]2N)CC1 ZINC000091993158 180300352 /nfs/dbraw/zinc/30/03/52/180300352.db2.gz HSLQLURAHGSVQR-GJZGRUSLSA-N 0 3 273.380 2.053 10 0 CEAEHN CCCNCc1nc(C)ccc1OCC(=O)N(CC)CC ZINC000091995012 180301420 /nfs/dbraw/zinc/30/14/20/180301420.db2.gz HTSGIUYAKZKUQQ-UHFFFAOYSA-N 0 3 293.411 2.137 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+][C@]2(CO)CCC[C@@H](C)C2)n1 ZINC000091995322 180302113 /nfs/dbraw/zinc/30/21/13/180302113.db2.gz MDOFFPBSJLNLOH-IAQYHMDHSA-N 0 3 264.369 2.126 10 0 CEAEHN Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)cc1CN ZINC000092113390 180327358 /nfs/dbraw/zinc/32/73/58/180327358.db2.gz NUWZGSJAGZCOCH-STQMWFEESA-N 0 3 296.436 2.039 10 0 CEAEHN CCCN[C@@H](c1cc(C)cnc1N)C(C)(C)OC ZINC000092140052 180333515 /nfs/dbraw/zinc/33/35/15/180333515.db2.gz ATJNYHXENZJYLT-LBPRGKRZSA-N 0 3 251.374 2.438 10 0 CEAEHN CCCNCc1c(C)nn(C)c1N1C[C@H](C)[C@H](C)C1 ZINC000092086763 180320576 /nfs/dbraw/zinc/32/05/76/180320576.db2.gz UIPXEYFCWDNXIN-TXEJJXNPSA-N 0 3 264.417 2.320 10 0 CEAEHN CC(C)CNCc1cncc(N2C[C@H](C)[C@H](C)C2)n1 ZINC000092089048 180321128 /nfs/dbraw/zinc/32/11/28/180321128.db2.gz CJRHJBKKNKNFRL-BETUJISGSA-N 0 3 262.401 2.314 10 0 CEAEHN COC(=O)C1CCN(C[C@@H]2COc3ccccc32)CC1 ZINC000092305657 180360468 /nfs/dbraw/zinc/36/04/68/180360468.db2.gz KKGDHZPNCVBLOS-CYBMUJFWSA-N 0 3 275.348 2.048 10 0 CEAEHN Cc1nn(C)c(C)c1CN1CCN(CC2CCCC2)CC1 ZINC000105865910 186081192 /nfs/dbraw/zinc/08/11/92/186081192.db2.gz WEENDILXDXQVNO-UHFFFAOYSA-N 0 3 290.455 2.345 10 0 CEAEHN CCN[C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1 ZINC000105832532 186075687 /nfs/dbraw/zinc/07/56/87/186075687.db2.gz SKFKZRYCPHVHRB-GXTWGEPZSA-N 0 3 274.364 2.041 10 0 CEAEHN CCOc1cccc(CNCCn2cc(C)cn2)c1 ZINC000105908513 186087400 /nfs/dbraw/zinc/08/74/00/186087400.db2.gz ALWBICKVRHQTHP-UHFFFAOYSA-N 0 3 259.353 2.380 10 0 CEAEHN CCOC(=O)C[C@H](C)N[C@@H](C)c1c(C)noc1C ZINC000092339387 180365098 /nfs/dbraw/zinc/36/50/98/180365098.db2.gz ZVAZGTQPJZYEKY-IUCAKERBSA-N 0 3 254.330 2.284 10 0 CEAEHN CCn1cc([C@@]2(N)CCCc3ccc(OC)cc32)cn1 ZINC000092367209 180369093 /nfs/dbraw/zinc/36/90/93/180369093.db2.gz DVARWWHXHJRJMH-INIZCTEOSA-N 0 3 271.364 2.450 10 0 CEAEHN OCCN(Cc1cccc(Cl)n1)C1CCCC1 ZINC000092366445 180369316 /nfs/dbraw/zinc/36/93/16/180369316.db2.gz VKTDCRFYUSBOOC-UHFFFAOYSA-N 0 3 254.761 2.472 10 0 CEAEHN Cc1cccc(Cn2ccnc2CNCC(C)C)n1 ZINC000092431562 180384244 /nfs/dbraw/zinc/38/42/44/180384244.db2.gz RDVWIJHQLRJVMV-UHFFFAOYSA-N 0 3 258.369 2.380 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H]([S@](=O)CC(C)C)CC2 ZINC000092388889 180375454 /nfs/dbraw/zinc/37/54/54/180375454.db2.gz ZDRIQHAFGLUACM-VCBZYWHSSA-N 0 3 281.421 2.415 10 0 CEAEHN Cc1ncc(CN[C@@H](CO)C(C)C)n1-c1ccccc1 ZINC000092394072 180376386 /nfs/dbraw/zinc/37/63/86/180376386.db2.gz MEDBDWSNHPDNTF-INIZCTEOSA-N 0 3 273.380 2.287 10 0 CEAEHN COc1ccc(OC)c([C@@H]2CN[C@@H](C(C)C)CO2)c1 ZINC000092403446 180378403 /nfs/dbraw/zinc/37/84/03/180378403.db2.gz QQFYWKXTWNOKOP-HIFRSBDPSA-N 0 3 265.353 2.389 10 0 CEAEHN CCC[C@H](CC)N[C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000106534177 186124957 /nfs/dbraw/zinc/12/49/57/186124957.db2.gz QJZRGSVVJPLUSV-AAEUAGOBSA-N 0 3 266.385 2.225 10 0 CEAEHN CCC[C@H](CC)N[C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000106534167 186125144 /nfs/dbraw/zinc/12/51/44/186125144.db2.gz YNEVYKMFHRXIAL-SRVKXCTJSA-N 0 3 254.374 2.081 10 0 CEAEHN COCCN(C1CC1)[C@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092385748 180373468 /nfs/dbraw/zinc/37/34/68/180373468.db2.gz ROHDQWBZHCNHJC-IRXDYDNUSA-N 0 3 290.407 2.121 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N[C@@H](C)CS(C)(=O)=O)CCC2 ZINC000092384229 180373731 /nfs/dbraw/zinc/37/37/31/180373731.db2.gz AXBMHSOJQJSSOD-NHYWBVRUSA-N 0 3 297.420 2.095 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](n1nc(C)nc1C)CC2 ZINC000092386140 180373882 /nfs/dbraw/zinc/37/38/82/180373882.db2.gz LYIBOWQSFVURET-GJZGRUSLSA-N 0 3 272.352 2.091 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000107392802 186173026 /nfs/dbraw/zinc/17/30/26/186173026.db2.gz QSCBRGNYIFISLY-JSGCOSHPSA-N 0 3 261.369 2.093 10 0 CEAEHN Cc1ccc(NC(=O)CNC(C)(C)C)c(C)c1O ZINC000092460696 180389880 /nfs/dbraw/zinc/38/98/80/180389880.db2.gz ZOMRFGVOXWBNLI-UHFFFAOYSA-N 0 3 250.342 2.336 10 0 CEAEHN c1cc2c(c(CN3CCN4CCCC[C@@H]4C3)c1)NCC2 ZINC000130584606 365971445 /nfs/dbraw/zinc/97/14/45/365971445.db2.gz HELIWHHCLWNTNA-MRXNPFEDSA-N 0 3 271.408 2.325 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2sccc2C)CCN1C ZINC000107919715 186197454 /nfs/dbraw/zinc/19/74/54/186197454.db2.gz SXWHXULIQPPVRV-STQMWFEESA-N 0 3 267.442 2.082 10 0 CEAEHN Cc1ccc([O-])c(C(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000109540246 186260989 /nfs/dbraw/zinc/26/09/89/186260989.db2.gz YJNRCRWPBBDKON-UHFFFAOYSA-N 0 3 288.322 2.228 10 0 CEAEHN COc1ccc(CNC2=NCCCS2)c(OC)c1 ZINC000109554652 186262674 /nfs/dbraw/zinc/26/26/74/186262674.db2.gz LHPYJNFPECNZIO-UHFFFAOYSA-N 0 3 266.366 2.286 10 0 CEAEHN CCCN[C@H]1c2ccc(-n3ccnc3C)cc2NC1=O ZINC000109572863 186264093 /nfs/dbraw/zinc/26/40/93/186264093.db2.gz CNVARMNZWVEVKO-AWEZNQCLSA-N 0 3 270.336 2.174 10 0 CEAEHN C[C@H](N)c1cc(F)ccc1N1CCCO[C@H](C)C1 ZINC000109571803 186264271 /nfs/dbraw/zinc/26/42/71/186264271.db2.gz SCZWDYCKNGZBLP-MNOVXSKESA-N 0 3 252.333 2.461 10 0 CEAEHN C[C@H]1CN(c2cc(CN)nc3ccccc32)CCCO1 ZINC000109589527 186264632 /nfs/dbraw/zinc/26/46/32/186264632.db2.gz HISOEAXKEAKNOE-LBPRGKRZSA-N 0 3 271.364 2.309 10 0 CEAEHN COc1ccccc1NC(=S)N1CCC[C@H]1CN(C)C ZINC000109671241 186268592 /nfs/dbraw/zinc/26/85/92/186268592.db2.gz WRABJVRKGBXQAD-LBPRGKRZSA-N 0 3 293.436 2.418 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=S)NCCc1ccccc1 ZINC000109670942 186269160 /nfs/dbraw/zinc/26/91/60/186269160.db2.gz AZWXQWQGVBBZPQ-HNNXBMFYSA-N 0 3 291.464 2.130 10 0 CEAEHN CC[C@H](C(N)=S)N1CCN(Cc2ccccc2C)CC1 ZINC000109469814 186253577 /nfs/dbraw/zinc/25/35/77/186253577.db2.gz PHNTWVFARNDNJO-OAHLLOKOSA-N 0 3 291.464 2.177 10 0 CEAEHN CCC[C@@H](C(N)=S)N1CCN(c2nc(C)cs2)CC1 ZINC000109471652 186255143 /nfs/dbraw/zinc/25/51/43/186255143.db2.gz SAUYEKFWUCWTPS-NSHDSACASA-N 0 3 298.481 2.028 10 0 CEAEHN CN(Cc1ccc2ccccc2n1)C[C@H]1C[C@@H](O)C1 ZINC000626043836 350638291 /nfs/dbraw/zinc/63/82/91/350638291.db2.gz FDLCVVZZFBDAJP-JNSHFYNHSA-N 0 3 256.349 2.438 10 0 CEAEHN CCc1nc(N2CC[C@H](N(CC)CC)C2)sc1C=O ZINC000110272186 186289843 /nfs/dbraw/zinc/28/98/43/186289843.db2.gz QPVUULRMPULWGE-NSHDSACASA-N 0 3 281.425 2.439 10 0 CEAEHN CC(C)Nc1ccccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000110417945 186295072 /nfs/dbraw/zinc/29/50/72/186295072.db2.gz RXHXAOVYMYDGCX-ZDUSSCGKSA-N 0 3 275.396 2.283 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)s1)N1CCNC(=O)C1(C)C ZINC000110653421 186310557 /nfs/dbraw/zinc/31/05/57/186310557.db2.gz NGYZCYNASDARJD-DGCLKSJQSA-N 0 3 295.452 2.045 10 0 CEAEHN CCc1nc(-c2ccc3c(c2)OCCO3)nc(NN)c1C ZINC000110477632 186299219 /nfs/dbraw/zinc/29/92/19/186299219.db2.gz VJWLDNSAFBRJDC-UHFFFAOYSA-N 0 3 286.335 2.071 10 0 CEAEHN CN1CC[C@H](Nc2cc(OC(F)F)c(F)cc2N)C1 ZINC000110638925 186307631 /nfs/dbraw/zinc/30/76/31/186307631.db2.gz JGIFHHQGXXFAIG-ZETCQYMHSA-N 0 3 275.274 2.125 10 0 CEAEHN CCCOc1cc(OCCN(C)C)c(N)cc1F ZINC000110642795 186308959 /nfs/dbraw/zinc/30/89/59/186308959.db2.gz OXLBYLBLCKROBM-UHFFFAOYSA-N 0 3 256.321 2.137 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OC[C@H](C)C(N)=O ZINC000110960663 186336137 /nfs/dbraw/zinc/33/61/37/186336137.db2.gz YBPAEEKEGJCQGM-RYUDHWBXSA-N 0 3 264.369 2.166 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OCCC(=O)NC ZINC000110960571 186337009 /nfs/dbraw/zinc/33/70/09/186337009.db2.gz LQNBPBKVEHJZLC-LBPRGKRZSA-N 0 3 264.369 2.180 10 0 CEAEHN CCOC(=O)COc1cc(C)ccc1[C@@H](C)NC ZINC000110959823 186337135 /nfs/dbraw/zinc/33/71/35/186337135.db2.gz TYWUPXKHNMHTLW-LLVKDONJSA-N 0 3 251.326 2.217 10 0 CEAEHN Cc1ccc(C[C@@H](CN)C(=O)NC(C)(C)C)cc1F ZINC000110974640 186338132 /nfs/dbraw/zinc/33/81/32/186338132.db2.gz LZLCHNMNWGUPOF-LBPRGKRZSA-N 0 3 266.360 2.166 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)s1)N1CCNC(=O)C1(C)C ZINC000110653414 186311173 /nfs/dbraw/zinc/31/11/73/186311173.db2.gz NGYZCYNASDARJD-YPMHNXCESA-N 0 3 295.452 2.045 10 0 CEAEHN CC(C)[C@@H]([C@H](O)c1ccccc1)N1CCN(C)[C@@H](C)C1 ZINC000110735658 186317068 /nfs/dbraw/zinc/31/70/68/186317068.db2.gz VUVDTAQUZPUYHN-BHYGNILZSA-N 0 3 276.424 2.381 10 0 CEAEHN CC[C@H]1CN(Cc2ccoc2CNC(C)C)CCN1C ZINC000110753880 186319940 /nfs/dbraw/zinc/31/99/40/186319940.db2.gz HHGCIECONXGVCY-HNNXBMFYSA-N 0 3 279.428 2.304 10 0 CEAEHN CCN1CCN(Cc2cc(CNC(C)(C)C)no2)C[C@@H]1C ZINC000110752616 186321659 /nfs/dbraw/zinc/32/16/59/186321659.db2.gz OZPYLALAILEIAR-ZDUSSCGKSA-N 0 3 294.443 2.089 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCN(C)C1 ZINC000110777162 186323431 /nfs/dbraw/zinc/32/34/31/186323431.db2.gz WFACEDOGNNSWDR-SNVBAGLBSA-N 0 3 296.392 2.123 10 0 CEAEHN CCOC(CCN(C)C[C@H]1CCCCO1)OCC ZINC000110785200 186324649 /nfs/dbraw/zinc/32/46/49/186324649.db2.gz OMHFVXMBBOIFCU-CYBMUJFWSA-N 0 3 259.390 2.277 10 0 CEAEHN CCOC(CCN(C)Cc1cccnc1)OCC ZINC000110785566 186324787 /nfs/dbraw/zinc/32/47/87/186324787.db2.gz VHUIWFCZETVMBH-UHFFFAOYSA-N 0 3 252.358 2.303 10 0 CEAEHN c1ccc(NC[C@@H]2CCN(Cc3ccncc3)C2)nc1 ZINC000130753419 365987461 /nfs/dbraw/zinc/98/74/61/365987461.db2.gz RZFVZEGOKNTSKB-HNNXBMFYSA-N 0 3 268.364 2.411 10 0 CEAEHN NC[C@H](Cc1cccc(F)c1F)C(=O)N1CCCCCC1 ZINC000111037572 186346949 /nfs/dbraw/zinc/34/69/49/186346949.db2.gz IYFDTHXKXLSESF-ZDUSSCGKSA-N 0 3 296.361 2.485 10 0 CEAEHN CCCNc1ccc(C(=O)N(C)CCN(C)C)cc1C ZINC000111151726 186360400 /nfs/dbraw/zinc/36/04/00/186360400.db2.gz UEALPYVNDKAHFM-UHFFFAOYSA-N 0 3 277.412 2.451 10 0 CEAEHN O=c1[nH]c(CNC[C@@H]2C[C@H]3CC[C@@H]2C3)nc2ccccc21 ZINC000111089780 186351477 /nfs/dbraw/zinc/35/14/77/186351477.db2.gz ITGAMTGBCOVMQK-XQQFMLRXSA-N 0 3 283.375 2.449 10 0 CEAEHN CCOCCN(CC)C[C@@H]1NCCc2ccccc21 ZINC000111125470 186355356 /nfs/dbraw/zinc/35/53/56/186355356.db2.gz DZQLISRQCYTTHQ-INIZCTEOSA-N 0 3 262.397 2.232 10 0 CEAEHN CCOCCN(CC)Cc1cc(C)c(CNC)o1 ZINC000111123863 186355511 /nfs/dbraw/zinc/35/55/11/186355511.db2.gz UCZJZLJSFXQUOT-UHFFFAOYSA-N 0 3 254.374 2.166 10 0 CEAEHN CN(C[C@@H]1CCCOC1)c1ccc(F)cc1CN ZINC000111153671 186360216 /nfs/dbraw/zinc/36/02/16/186360216.db2.gz JSVIFRMIHWGVDH-NSHDSACASA-N 0 3 252.333 2.147 10 0 CEAEHN CCCNCc1cccnc1N(C)CC1CCOCC1 ZINC000111174307 186365489 /nfs/dbraw/zinc/36/54/89/186365489.db2.gz RCBNMGMSPUVNNG-UHFFFAOYSA-N 0 3 277.412 2.444 10 0 CEAEHN N[C@@H](CNC(=O)c1ccc2c(c1)COC2)c1ccccc1 ZINC000111306375 186394621 /nfs/dbraw/zinc/39/46/21/186394621.db2.gz JKXPOPPHGZZCCZ-INIZCTEOSA-N 0 3 282.343 2.147 10 0 CEAEHN CC[C@H](C)c1noc(-c2cnc(C3([NH3+])CCC3)[n-]2)n1 ZINC000111274284 186385898 /nfs/dbraw/zinc/38/58/98/186385898.db2.gz OKAFAPKJJIXOHF-QMMMGPOBSA-N 0 3 261.329 2.311 10 0 CEAEHN CC[C@H](C)c1noc(-c2c[nH]c(C3(N)CCC3)n2)n1 ZINC000111274284 186385900 /nfs/dbraw/zinc/38/59/00/186385900.db2.gz OKAFAPKJJIXOHF-QMMMGPOBSA-N 0 3 261.329 2.311 10 0 CEAEHN NC[C@H](NC(=O)c1cccc(F)c1F)c1ccccc1 ZINC000111365354 186405573 /nfs/dbraw/zinc/40/55/73/186405573.db2.gz HPFMLSWMTIVKMZ-ZDUSSCGKSA-N 0 3 276.286 2.395 10 0 CEAEHN OC1C[C@H]2CC[C@@H](C1)N2c1ccccc1CNC1CC1 ZINC000111393233 186412714 /nfs/dbraw/zinc/41/27/14/186412714.db2.gz CXZQHKYVHZOVFZ-XYPWUTKMSA-N 0 3 272.392 2.431 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H]2CSc3ccccc32)C1 ZINC000118333818 186770150 /nfs/dbraw/zinc/77/01/50/186770150.db2.gz ABNNFIPAAHSDHC-GXTWGEPZSA-N 0 3 290.432 2.476 10 0 CEAEHN CC(C)OC1CCC(NC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000151976650 539822493 /nfs/dbraw/zinc/82/24/93/539822493.db2.gz YQRGNBWHLBUEIE-SLTAFYQDSA-N 0 3 297.443 2.068 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NC[C@H](C)N1CCOCC1 ZINC000123354267 187086380 /nfs/dbraw/zinc/08/63/80/187086380.db2.gz ZRZJYZIVACLZEZ-LSDHHAIUSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC000123465779 187093720 /nfs/dbraw/zinc/09/37/20/187093720.db2.gz VYRXXVZGYIHVLZ-GFCCVEGCSA-N 0 3 279.384 2.354 10 0 CEAEHN CCc1ncsc1C(=O)N(C)C[C@H]1CCCN1CC ZINC000123820112 187110532 /nfs/dbraw/zinc/11/05/32/187110532.db2.gz CEIYZPXHGXZNFO-LLVKDONJSA-N 0 3 281.425 2.262 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2ccncc2Br)C1 ZINC000631050169 351938479 /nfs/dbraw/zinc/93/84/79/351938479.db2.gz QRIPMAHIHXPXME-WDEREUQCSA-N 0 3 285.185 2.237 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C)c(N)c1 ZINC000092621281 539827446 /nfs/dbraw/zinc/82/74/46/539827446.db2.gz HKOAHNPHQAOYIA-AWEZNQCLSA-N 0 3 275.396 2.134 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)c1cc(C(C)=O)ccn1 ZINC000094997423 539889284 /nfs/dbraw/zinc/88/92/84/539889284.db2.gz FPYDZCBMLYJADT-CQSZACIVSA-N 0 3 261.369 2.205 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(OC)cc2F)C1 ZINC000252761563 539899073 /nfs/dbraw/zinc/89/90/73/539899073.db2.gz XYUQIXPWVNYLAL-OCCSQVGLSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COC1(C)CNC1 ZINC000098060878 539960664 /nfs/dbraw/zinc/96/06/64/539960664.db2.gz JSYRXPBQGPFCTM-LLVKDONJSA-N 0 3 296.798 2.238 10 0 CEAEHN CCC[C@H](C(=O)N1CCC[C@@H](n2cc(C)cn2)C1)N(C)C ZINC000155640590 188218147 /nfs/dbraw/zinc/21/81/47/188218147.db2.gz DIGPHQMBGXTFOC-HUUCEWRRSA-N 0 3 292.427 2.085 10 0 CEAEHN CN(C)C(=O)CN[C@@H]1c2ccccc2CCC1(C)C ZINC000156726735 188278528 /nfs/dbraw/zinc/27/85/28/188278528.db2.gz QJVVRWYPLKFHJQ-OAHLLOKOSA-N 0 3 260.381 2.378 10 0 CEAEHN C[C@@H](NC(=O)NCCN(C)C)c1ccc(F)c(Cl)c1 ZINC000133520702 366233113 /nfs/dbraw/zinc/23/31/13/366233113.db2.gz VEFUUVRDBVCHJA-SECBINFHSA-N 0 3 287.766 2.401 10 0 CEAEHN CCc1ccc(O)c(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000133563452 366237184 /nfs/dbraw/zinc/23/71/84/366237184.db2.gz YPWDJACGXZJRFG-HNNXBMFYSA-N 0 3 262.353 2.425 10 0 CEAEHN CN1C[C@@H](NCc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000675076077 540117369 /nfs/dbraw/zinc/11/73/69/540117369.db2.gz TZASLWNVZKGJCE-CYBMUJFWSA-N 0 3 254.324 2.395 10 0 CEAEHN CCN(C)[S@](=O)(=NC(C)C)c1ccc(N)cc1 ZINC000675076521 540117853 /nfs/dbraw/zinc/11/78/53/540117853.db2.gz YDSMLBUIZSNDKK-QGZVFWFLSA-N 0 3 255.387 2.371 10 0 CEAEHN COC[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134881887 366367182 /nfs/dbraw/zinc/36/71/82/366367182.db2.gz SAMORRWNOVBSPG-SQWLQELKSA-N 0 3 290.407 2.048 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000228187181 538805506 /nfs/dbraw/zinc/80/55/06/538805506.db2.gz PRWLRVGXLILSTF-DLBZAZTESA-N 0 3 274.408 2.448 10 0 CEAEHN CCCN1CCC(NC2CCCCC2)(C(=O)OC)CC1 ZINC000037971876 283320645 /nfs/dbraw/zinc/32/06/45/283320645.db2.gz RVPUADDNQQEXHV-UHFFFAOYSA-N 0 3 282.428 2.326 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC(=O)CNC(C)C ZINC000037610056 540611455 /nfs/dbraw/zinc/61/14/55/540611455.db2.gz XCJFLEKYMBZJDB-LBPRGKRZSA-N 0 3 264.369 2.179 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@](C)(O)CCC(C)C)N(C)C ZINC000120924391 283474563 /nfs/dbraw/zinc/47/45/63/283474563.db2.gz OIDJVFLPYGOTDF-DZGCQCFKSA-N 0 3 272.433 2.020 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccccc2F)C1 ZINC000148635852 366583044 /nfs/dbraw/zinc/58/30/44/366583044.db2.gz HFTSMURWBDKUQX-CHWSQXEVSA-N 0 3 266.360 2.197 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1ccsc1 ZINC000177005903 189020041 /nfs/dbraw/zinc/02/00/41/189020041.db2.gz FIETULLBBPTHED-ZDUSSCGKSA-N 0 3 266.410 2.233 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc[nH]c1=S ZINC000177016168 189020944 /nfs/dbraw/zinc/02/09/44/189020944.db2.gz CHOZZXOBUOHDMI-NSHDSACASA-N 0 3 279.409 2.300 10 0 CEAEHN Cc1cc(CN2CCC[C@@H]2Cn2ccnc2C)on1 ZINC000178306781 189104694 /nfs/dbraw/zinc/10/46/94/189104694.db2.gz CUBNXPXOFGJJOA-CYBMUJFWSA-N 0 3 260.341 2.153 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000236979932 370670764 /nfs/dbraw/zinc/67/07/64/370670764.db2.gz FVWBUIVBULMTRD-DZGCQCFKSA-N 0 3 262.397 2.478 10 0 CEAEHN Cn1cc([C@@H]2CCN(Cc3cnn4ccccc34)C2)cn1 ZINC000179808349 189221820 /nfs/dbraw/zinc/22/18/20/189221820.db2.gz DMVBBXWATVPERI-CYBMUJFWSA-N 0 3 281.363 2.057 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc2ccccc2n1 ZINC000180589307 189263869 /nfs/dbraw/zinc/26/38/69/189263869.db2.gz GVMUKPJZEMVATC-JSGCOSHPSA-N 0 3 293.374 2.492 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCc2ncnn2C1 ZINC000180601405 189264562 /nfs/dbraw/zinc/26/45/62/189264562.db2.gz HHBHRGRNPTTYRA-CHWSQXEVSA-N 0 3 286.379 2.261 10 0 CEAEHN CC(C)CSCCCN1CCO[C@@H](CN(C)C)C1 ZINC000152941253 366722410 /nfs/dbraw/zinc/72/24/10/366722410.db2.gz GWFFMYWUGXAAHB-AWEZNQCLSA-N 0 3 274.474 2.028 10 0 CEAEHN N[C@H](Cn1cccn1)c1ccc(Br)cc1 ZINC000011849831 361366678 /nfs/dbraw/zinc/36/66/78/361366678.db2.gz FUMVJFJUIGNJAX-LLVKDONJSA-N 0 3 266.142 2.346 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(Br)c(F)c1 ZINC000083826541 363788808 /nfs/dbraw/zinc/78/88/08/363788808.db2.gz MRUBPIHMOXUMQC-ZCFIWIBFSA-N 0 3 275.121 2.135 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCn1ccnc1 ZINC000183162275 189348649 /nfs/dbraw/zinc/34/86/49/189348649.db2.gz LXOTVEZEZVELPZ-KKUMJFAQSA-N 0 3 291.395 2.079 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](C)c1ncc(C)s1)N(C)C ZINC000184017063 189374617 /nfs/dbraw/zinc/37/46/17/189374617.db2.gz YLJKHXLKMVAOLM-CMPLNLGQSA-N 0 3 283.441 2.402 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)c1cnccn1 ZINC000184601950 189389964 /nfs/dbraw/zinc/38/99/64/189389964.db2.gz BEMPWMNGZFHLPV-GXTWGEPZSA-N 0 3 271.368 2.207 10 0 CEAEHN Cc1ccc2nccc(NC[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000302177889 201384250 /nfs/dbraw/zinc/38/42/50/201384250.db2.gz XVSCSGJVRFXHOA-LBPRGKRZSA-N 0 3 290.388 2.390 10 0 CEAEHN CCN(CC)c1ncc(CNC[C@@H]2CCC[C@@H]2O)s1 ZINC000089164332 363942981 /nfs/dbraw/zinc/94/29/81/363942981.db2.gz LXGMQICQCBLUEI-AAEUAGOBSA-N 0 3 283.441 2.240 10 0 CEAEHN Oc1cccc(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810948 364110664 /nfs/dbraw/zinc/11/06/64/364110664.db2.gz CIILATYZDJZVAA-UHFFFAOYSA-N 0 3 257.337 2.495 10 0 CEAEHN Cc1ccccc1CCN[C@H](C)C(=O)N1CCCC1 ZINC000095082553 364336247 /nfs/dbraw/zinc/33/62/47/364336247.db2.gz JEAUORBBFZLMQZ-CQSZACIVSA-N 0 3 260.381 2.138 10 0 CEAEHN Cc1ncccc1CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000335729320 364896370 /nfs/dbraw/zinc/89/63/70/364896370.db2.gz BTNOFHSCEDMOKW-XJKSGUPXSA-N 0 3 259.397 2.449 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2nc3ccccc3s2)C1 ZINC000119301185 365250347 /nfs/dbraw/zinc/25/03/47/365250347.db2.gz AHBSKBPJQNLZID-JTQLQIEISA-N 0 3 275.377 2.072 10 0 CEAEHN CC[C@@](C)(O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000119393776 365266904 /nfs/dbraw/zinc/26/69/04/365266904.db2.gz ACDPGTKLPKLKGV-MRXNPFEDSA-N 0 3 279.380 2.223 10 0 CEAEHN CC[C@](C)(O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000119393625 365267149 /nfs/dbraw/zinc/26/71/49/365267149.db2.gz ACDPGTKLPKLKGV-INIZCTEOSA-N 0 3 279.380 2.223 10 0 CEAEHN COCc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000159077233 366874888 /nfs/dbraw/zinc/87/48/88/366874888.db2.gz VFXUGWUIJNPZDG-BBRMVZONSA-N 0 3 290.407 2.292 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](C)c1c(C)noc1C)N(C)C ZINC000120366347 365413991 /nfs/dbraw/zinc/41/39/91/365413991.db2.gz IBNUDDLULKJOIK-GXFFZTMASA-N 0 3 281.400 2.241 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)cc2C)CCN1C[C@@H](C)O ZINC000120729835 365465810 /nfs/dbraw/zinc/46/58/10/365465810.db2.gz QZMDWDSGGPTNBD-RHSMWYFYSA-N 0 3 294.414 2.411 10 0 CEAEHN CC[C@@H](C)CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000120505624 365434658 /nfs/dbraw/zinc/43/46/58/365434658.db2.gz HMVBAICDGWIUFC-CYBMUJFWSA-N 0 3 278.444 2.201 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)N(C)C ZINC000159231741 366891607 /nfs/dbraw/zinc/89/16/07/366891607.db2.gz LQCOFFZTYKKDFJ-KBPBESRZSA-N 0 3 282.428 2.325 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000245422770 370816952 /nfs/dbraw/zinc/81/69/52/370816952.db2.gz AIHAAMWFEHAXTB-RBSFLKMASA-N 0 3 282.428 2.277 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)c1ccc(C)o1)N(C)C ZINC000161569951 367098560 /nfs/dbraw/zinc/09/85/60/367098560.db2.gz GWXWGLMMPTXRAQ-RYUDHWBXSA-N 0 3 252.358 2.496 10 0 CEAEHN Cc1cc(C)n2c(CN3CCN4CCCC[C@H]4C3)cnc2n1 ZINC000245560162 370839455 /nfs/dbraw/zinc/83/94/55/370839455.db2.gz MKHGANCGFCLSKJ-HNNXBMFYSA-N 0 3 299.422 2.016 10 0 CEAEHN c1[nH]nc2cc(CN3CCN4CCCC[C@H]4C3)ccc12 ZINC000245553799 370839693 /nfs/dbraw/zinc/83/96/93/370839693.db2.gz GAHPXWUMFBNCGE-HNNXBMFYSA-N 0 3 270.380 2.233 10 0 CEAEHN CCC[C@@H](C(=O)N1CC[C@@H](OCCC(C)C)C1)N(C)C ZINC000162437045 367160373 /nfs/dbraw/zinc/16/03/73/367160373.db2.gz XSWJUVMPOPOYHC-CABCVRRESA-N 0 3 284.444 2.380 10 0 CEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000245482471 370827107 /nfs/dbraw/zinc/82/71/07/370827107.db2.gz ZIDPSLGTDQXIGS-AWEZNQCLSA-N 0 3 293.798 2.059 10 0 CEAEHN O=C([C@H](c1ccccc1)C1CC1)N1CCN2CCC[C@H]2C1 ZINC000245671566 370855735 /nfs/dbraw/zinc/85/57/35/370855735.db2.gz CYZISYGVWUWABM-DLBZAZTESA-N 0 3 284.403 2.487 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCC2(c3ccccc3)CC2)C1 ZINC000170827678 367426236 /nfs/dbraw/zinc/42/62/36/367426236.db2.gz ZIUAOWMGUXQGSB-HNNXBMFYSA-N 0 3 287.407 2.064 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc(F)c(Cl)c2)C1 ZINC000170836341 367429682 /nfs/dbraw/zinc/42/96/82/367429682.db2.gz XHSURRQAXJXSGF-LLVKDONJSA-N 0 3 299.777 2.325 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCSc2ccccc2F)C1 ZINC000170857723 367432086 /nfs/dbraw/zinc/43/20/86/367432086.db2.gz MGYUHMRZNCTCHW-LBPRGKRZSA-N 0 3 296.411 2.470 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCCc2cccs2)C1 ZINC000170861042 367432308 /nfs/dbraw/zinc/43/23/08/367432308.db2.gz GLMDHOKWELPEJJ-LBPRGKRZSA-N 0 3 266.410 2.233 10 0 CEAEHN COc1ccc(Cl)cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170861993 367434737 /nfs/dbraw/zinc/43/47/37/367434737.db2.gz RCNRUENJCPACJS-NSHDSACASA-N 0 3 282.771 2.125 10 0 CEAEHN CC[C@@H]1CN([C@H]2C=CCCC2)CCN1CCOC ZINC000171746199 367609110 /nfs/dbraw/zinc/60/91/10/367609110.db2.gz CIEYKLRKRBGACY-CABCVRRESA-N 0 3 252.402 2.138 10 0 CEAEHN O=C(N1CCN2CCC[C@@H]2C1)C1(c2cccc(F)c2)CC1 ZINC000172217395 367699414 /nfs/dbraw/zinc/69/94/14/367699414.db2.gz XKUQFIMDNSPTLF-OAHLLOKOSA-N 0 3 288.366 2.164 10 0 CEAEHN CC(C)n1cccc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000245728365 370865137 /nfs/dbraw/zinc/86/51/37/370865137.db2.gz XXIZFFCLADZRKF-KBPBESRZSA-N 0 3 275.396 2.378 10 0 CEAEHN Cc1cnn([C@H]2CCCN(CCC(=O)OC(C)C)C2)c1 ZINC000173699697 367936142 /nfs/dbraw/zinc/93/61/42/367936142.db2.gz XHALCHWCXQRSNN-AWEZNQCLSA-N 0 3 279.384 2.170 10 0 CEAEHN CSCCCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173674969 367932480 /nfs/dbraw/zinc/93/24/80/367932480.db2.gz JNJCRCBNPHQNFB-INIZCTEOSA-N 0 3 294.464 2.091 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2cc(C)sc2C)CC1 ZINC000174078745 367980241 /nfs/dbraw/zinc/98/02/41/367980241.db2.gz CNPLMBLYBPDZKU-HNNXBMFYSA-N 0 3 282.453 2.253 10 0 CEAEHN CCc1cc(C)c(C(=O)N2CCN3CCC[C@@H]3C2)o1 ZINC000178576900 368304051 /nfs/dbraw/zinc/30/40/51/368304051.db2.gz IJPAROIUEMMTCP-GFCCVEGCSA-N 0 3 262.353 2.071 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCSC ZINC000178712738 368308957 /nfs/dbraw/zinc/30/89/57/368308957.db2.gz XPANLDUYMLRUMK-SRVKXCTJSA-N 0 3 257.399 2.156 10 0 CEAEHN Cc1cccc(CCCN2CCO[C@H](CN(C)C)C2)c1 ZINC000181102066 368421267 /nfs/dbraw/zinc/42/12/67/368421267.db2.gz PHZGBQKNSSDNLM-QGZVFWFLSA-N 0 3 276.424 2.190 10 0 CEAEHN CC[C@@H](NC[C@@H]1CN(CC)CCO1)c1ccc(OC)cc1 ZINC000163847573 541679238 /nfs/dbraw/zinc/67/92/38/541679238.db2.gz AFBJAVKBWOLDBF-IAGOWNOFSA-N 0 3 292.423 2.457 10 0 CEAEHN COC[C@H](NC[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000181698760 368484801 /nfs/dbraw/zinc/48/48/01/368484801.db2.gz BLNWCOZMMUHIDO-CABCVRRESA-N 0 3 281.396 2.140 10 0 CEAEHN C[C@H](CN(C)C[C@H](O)COC(C)(C)C)c1nccs1 ZINC000183973741 368661238 /nfs/dbraw/zinc/66/12/38/368661238.db2.gz XWWKKEGRPIITPV-NEPJUHHUSA-N 0 3 286.441 2.354 10 0 CEAEHN Cc1ccccc1OC[C@H](O)CN1CCS[C@@H](C)C1 ZINC000246095890 370908318 /nfs/dbraw/zinc/90/83/18/370908318.db2.gz HGBMZJLKONLVFD-UONOGXRCSA-N 0 3 281.421 2.172 10 0 CEAEHN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)CCC1CC1 ZINC000186388963 368966841 /nfs/dbraw/zinc/96/68/41/368966841.db2.gz UNQHIRBBQSCGRV-YPMHNXCESA-N 0 3 278.400 2.428 10 0 CEAEHN COc1ccsc1[C@@H](C)NC[C@H](C)N1CCOCC1 ZINC000186096471 368919344 /nfs/dbraw/zinc/91/93/44/368919344.db2.gz CLUKGNZOISILAQ-NWDGAFQWSA-N 0 3 284.425 2.128 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2ccco2)C12CCOCC2 ZINC000186200456 368936608 /nfs/dbraw/zinc/93/66/08/368936608.db2.gz UEZRDTXPBXZEHY-ZIAGYGMSSA-N 0 3 265.353 2.343 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2ccco2)C12CCOCC2 ZINC000186200440 368937886 /nfs/dbraw/zinc/93/78/86/368937886.db2.gz UEZRDTXPBXZEHY-KBPBESRZSA-N 0 3 265.353 2.343 10 0 CEAEHN CN(CCN1CCC[C@@](C)(O)C1)Cc1ccc(F)cc1 ZINC000187385685 369149536 /nfs/dbraw/zinc/14/95/36/369149536.db2.gz VXPKLQYGRXIXHW-MRXNPFEDSA-N 0 3 280.387 2.104 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C/c1ccc[nH]1 ZINC000187488801 369167858 /nfs/dbraw/zinc/16/78/58/369167858.db2.gz NVDFZRBEHZMJKA-HSBSLETESA-N 0 3 263.385 2.120 10 0 CEAEHN CCc1nnc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)n1C ZINC000187609265 369187342 /nfs/dbraw/zinc/18/73/42/369187342.db2.gz SWZUFOQACXRHFR-GRYCIOLGSA-N 0 3 250.390 2.292 10 0 CEAEHN CNC(=O)[C@H](N[C@H](C)Cc1ccccc1F)C(C)C ZINC000188159238 369309172 /nfs/dbraw/zinc/30/91/72/369309172.db2.gz XEIYKDQMLKJFDS-BXUZGUMPSA-N 0 3 266.360 2.117 10 0 CEAEHN Cc1cccc(NC[C@H]2CCN(CCOCC(F)F)C2)n1 ZINC000189367738 369505760 /nfs/dbraw/zinc/50/57/60/369505760.db2.gz OMPJCRKCHULPFV-CYBMUJFWSA-N 0 3 299.365 2.406 10 0 CEAEHN O=C(c1ccncc1C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000193067740 369889614 /nfs/dbraw/zinc/88/96/14/369889614.db2.gz WXWLJTGUXQEQPM-JTQLQIEISA-N 0 3 299.296 2.021 10 0 CEAEHN Cc1ccc(CNC[C@@H]2CN(C)CCO2)cc1Cl ZINC000193736519 369977872 /nfs/dbraw/zinc/97/78/72/369977872.db2.gz IIBJAOZFKGCIJY-CYBMUJFWSA-N 0 3 268.788 2.069 10 0 CEAEHN OCC(CO)[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000196151677 370145586 /nfs/dbraw/zinc/14/55/86/370145586.db2.gz AURFMXOHIVVRBI-HNNXBMFYSA-N 0 3 283.799 2.468 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1cc(F)c(F)cc1F ZINC000225290730 370290091 /nfs/dbraw/zinc/29/00/91/370290091.db2.gz POVFXWXEFQZPCJ-SDBXPKJASA-N 0 3 259.271 2.355 10 0 CEAEHN COCc1cccc(CNCCn2cc(C)cn2)c1 ZINC000230657195 370461112 /nfs/dbraw/zinc/46/11/12/370461112.db2.gz RTCJURFNQAOYMM-UHFFFAOYSA-N 0 3 259.353 2.128 10 0 CEAEHN O=C(NCC(C1CCC1)C1CCC1)[C@H]1C[C@H](F)CN1 ZINC000638456192 370544410 /nfs/dbraw/zinc/54/44/10/370544410.db2.gz IWZPVYIVWXTDGV-GXTWGEPZSA-N 0 3 268.376 2.019 10 0 CEAEHN CCC[C@H](N)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000236796435 370630653 /nfs/dbraw/zinc/63/06/53/370630653.db2.gz FBLVOURQGXLPRF-HOTGVXAUSA-N 0 3 290.407 2.322 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CSc1ccccc1 ZINC000247017364 371047106 /nfs/dbraw/zinc/04/71/06/371047106.db2.gz FZOURKHDMSEUEN-KGLIPLIRSA-N 0 3 290.432 2.474 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)C1 ZINC000246821665 371016889 /nfs/dbraw/zinc/01/68/89/371016889.db2.gz XHSIMQQVCMTRHS-AYBZRNKSSA-N 0 3 298.430 2.443 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000246959509 371037414 /nfs/dbraw/zinc/03/74/14/371037414.db2.gz MQHZDINPKHAAIK-OLZOCXBDSA-N 0 3 293.798 2.434 10 0 CEAEHN CCCCO[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247304318 371090050 /nfs/dbraw/zinc/09/00/50/371090050.db2.gz LNVFTXXNDBAEGS-MCIONIFRSA-N 0 3 270.417 2.037 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccn2)C1 ZINC000247326046 371093847 /nfs/dbraw/zinc/09/38/47/371093847.db2.gz MTCBLNHBHWPFTH-ZWNOBZJWSA-N 0 3 281.787 2.194 10 0 CEAEHN Cc1ccc(C)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000247873988 371145347 /nfs/dbraw/zinc/14/53/47/371145347.db2.gz YDMRFLJWRAILMR-JKSUJKDBSA-N 0 3 276.424 2.190 10 0 CEAEHN Cc1cc(C)cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000247742500 371140546 /nfs/dbraw/zinc/14/05/46/371140546.db2.gz NXAIZPBCOVDUKM-CVEARBPZSA-N 0 3 276.424 2.190 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)o1 ZINC000247502962 371116798 /nfs/dbraw/zinc/11/67/98/371116798.db2.gz XSFLCQPBCQGGHZ-PWSUYJOCSA-N 0 3 250.342 2.047 10 0 CEAEHN Cc1cc(C)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000248020623 371155765 /nfs/dbraw/zinc/15/57/65/371155765.db2.gz RGQHDAYLVHBYOP-OAHLLOKOSA-N 0 3 260.381 2.356 10 0 CEAEHN O[C@@H](CC1CCCC1)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000249122943 371297903 /nfs/dbraw/zinc/29/79/03/371297903.db2.gz TWAMATJFPLWZNB-DOTOQJQBSA-N 0 3 290.407 2.476 10 0 CEAEHN O[C@H](Cc1ccccc1)CN1CCO[C@H]2CCCC[C@H]21 ZINC000249717406 371354663 /nfs/dbraw/zinc/35/46/63/371354663.db2.gz JNZMOMZBOQPZQY-ZACQAIPSSA-N 0 3 275.392 2.233 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1CC(=O)c1ccccc1F ZINC000251813024 371416261 /nfs/dbraw/zinc/41/62/61/371416261.db2.gz OOULKZKZKJOKIQ-STQMWFEESA-N 0 3 276.355 2.177 10 0 CEAEHN CCCCOCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000252662123 371463831 /nfs/dbraw/zinc/46/38/31/371463831.db2.gz UVNGUTXYOGQRAX-HUUCEWRRSA-N 0 3 254.418 2.362 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccc(CO)cc1 ZINC000252764597 371477280 /nfs/dbraw/zinc/47/72/80/371477280.db2.gz HZOAKYXXHFXCCS-PBHICJAKSA-N 0 3 274.408 2.238 10 0 CEAEHN CCCCCS(=O)(=O)N1C[C@H]2CCCN2C[C@H]1CC ZINC000252830765 371480648 /nfs/dbraw/zinc/48/06/48/371480648.db2.gz RMUZWGQWEPHGCY-ZIAGYGMSSA-N 0 3 288.457 2.065 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC/C=C\c2ccccc2)C1 ZINC000255331924 371577711 /nfs/dbraw/zinc/57/77/11/371577711.db2.gz RPEQEIABQLSJPR-DIEDAUMRSA-N 0 3 287.407 2.483 10 0 CEAEHN C/C(=C/c1ccccc1)CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000255561228 371593233 /nfs/dbraw/zinc/59/32/33/371593233.db2.gz YEPKEDXJSIUJIN-VIVNAEHYSA-N 0 3 288.435 2.477 10 0 CEAEHN CCN(C1CN(C(=O)c2ccsc2)C1)C1CCOCC1 ZINC000257184888 371604643 /nfs/dbraw/zinc/60/46/43/371604643.db2.gz VOFMFXDCCLAHRM-UHFFFAOYSA-N 0 3 294.420 2.073 10 0 CEAEHN N[C@H](C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CCOCC1 ZINC000261774246 371727349 /nfs/dbraw/zinc/72/73/49/371727349.db2.gz MMHQGCJJFHCNFE-MIGQKNRLSA-N 0 3 294.439 2.215 10 0 CEAEHN N[C@H](C(=O)NCc1ccc2ccccc2c1)C1CCOCC1 ZINC000261833948 371746022 /nfs/dbraw/zinc/74/60/22/371746022.db2.gz QFBUBEDALSQBMH-KRWDZBQOSA-N 0 3 298.386 2.210 10 0 CEAEHN Fc1ccc(N[C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261873132 371756129 /nfs/dbraw/zinc/75/61/29/371756129.db2.gz DIBQVSNTSDHQTL-RRFJBIMHSA-N 0 3 264.344 2.395 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000262712832 371899759 /nfs/dbraw/zinc/89/97/59/371899759.db2.gz SDVJRZIAHCOLII-ZWNOBZJWSA-N 0 3 252.358 2.153 10 0 CEAEHN CC(C)(C)c1ccc(NC(=O)[C@@H]2CNCCOC2)cc1 ZINC000643615228 373223220 /nfs/dbraw/zinc/22/32/20/373223220.db2.gz YAEAOSWEYFSGJK-GFCCVEGCSA-N 0 3 276.380 2.159 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cc(Cl)cs1 ZINC000282528981 220235015 /nfs/dbraw/zinc/23/50/15/220235015.db2.gz YXCHWMGAOGIUNY-XCBNKYQSSA-N 0 3 258.774 2.158 10 0 CEAEHN C[C@H](NC(=O)C(N)C(F)(F)F)c1cc(F)ccc1F ZINC000645391553 374024285 /nfs/dbraw/zinc/02/42/85/374024285.db2.gz WBUOXVUAYNXUKK-SSDLBLMSSA-N 0 3 282.212 2.032 10 0 CEAEHN CCCOc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282205202 375428569 /nfs/dbraw/zinc/42/85/69/375428569.db2.gz CXJPLZNZTNHFQH-SWLSCSKDSA-N 0 3 276.380 2.232 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cc(Cl)cc2c1OCC2 ZINC000282279934 375446769 /nfs/dbraw/zinc/44/67/69/375446769.db2.gz IBYQTPVDTNQQOD-RNCFNFMXSA-N 0 3 294.782 2.032 10 0 CEAEHN Cc1nc(C)c([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C)s1 ZINC000282311561 375454485 /nfs/dbraw/zinc/45/44/85/375454485.db2.gz NBTZGWBHDHFMFB-OVYXKVPISA-N 0 3 267.398 2.078 10 0 CEAEHN CC(C)(C)c1ncc(CNC[C@H](O)C(C)(C)C)cn1 ZINC000284178568 375822496 /nfs/dbraw/zinc/82/24/96/375822496.db2.gz AIMLWOXMIFNDPK-LBPRGKRZSA-N 0 3 265.401 2.271 10 0 CEAEHN Cc1cccc2c(N3CCN(C[C@@H](C)O)CC3)ccnc12 ZINC000302494083 379382528 /nfs/dbraw/zinc/38/25/28/379382528.db2.gz AVMZMCKXHUIBQU-CQSZACIVSA-N 0 3 285.391 2.046 10 0 CEAEHN C[C@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000183137996 542287921 /nfs/dbraw/zinc/28/79/21/542287921.db2.gz DHYIMHCAVPPDRX-QPSCCSFWSA-N 0 3 282.428 2.181 10 0 CEAEHN CCC[C@](C)(N)C(=O)Nc1cccc(NC(=O)CC)c1 ZINC000040809674 184548402 /nfs/dbraw/zinc/54/84/02/184548402.db2.gz DVAQPQXWPLNMST-HNNXBMFYSA-N 0 3 277.368 2.491 10 0 CEAEHN CN[C@@H](CN(C)C)c1cc(Br)ccc1F ZINC000086733761 184611869 /nfs/dbraw/zinc/61/18/69/184611869.db2.gz FVWWCTDPZTVFCU-NSHDSACASA-N 0 3 275.165 2.410 10 0 CEAEHN CCCNCc1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000088905327 184613876 /nfs/dbraw/zinc/61/38/76/184613876.db2.gz CSLOEAOBRIKSEQ-UHFFFAOYSA-N 0 3 296.436 2.279 10 0 CEAEHN Cc1cc(CN)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000088905055 184613890 /nfs/dbraw/zinc/61/38/90/184613890.db2.gz MPTJFWMSAANRHF-UHFFFAOYSA-N 0 3 296.436 2.183 10 0 CEAEHN CCNCc1cc(S(=O)(=O)N(CC)C2CC2)ccc1C ZINC000088940708 184614213 /nfs/dbraw/zinc/61/42/13/184614213.db2.gz CGELXVCOTPEZCL-UHFFFAOYSA-N 0 3 296.436 2.278 10 0 CEAEHN CCN1C[C@H](C)[C@H](NCc2ccc(Br)o2)C1 ZINC000381296586 542351891 /nfs/dbraw/zinc/35/18/91/542351891.db2.gz GQZNTNRRUXMGFN-GXSJLCMTSA-N 0 3 287.201 2.472 10 0 CEAEHN CCc1nnc(CN2C[C@@H]3CCCCN3C[C@H]2C)s1 ZINC000392061658 542375501 /nfs/dbraw/zinc/37/55/01/542375501.db2.gz CSPLROMTEUZPBT-NEPJUHHUSA-N 0 3 280.441 2.159 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000177708422 285273210 /nfs/dbraw/zinc/27/32/10/285273210.db2.gz QBKAFSCIUILPQX-HOTGVXAUSA-N 0 3 297.487 2.296 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1[C@H]1CCCN1Cc1ccon1 ZINC000337307834 285312684 /nfs/dbraw/zinc/31/26/84/285312684.db2.gz UTVLBJQUUFHMGI-MGPQQGTHSA-N 0 3 250.342 2.190 10 0 CEAEHN COC[C@@H]1CCN(c2ncc(CNC3CC3)cc2Cl)C1 ZINC000081117380 177773257 /nfs/dbraw/zinc/77/32/57/177773257.db2.gz PMDJQTJVLUBRBU-LLVKDONJSA-N 0 3 295.814 2.460 10 0 CEAEHN C[C@@H](CCc1ccco1)NCC(C)(C)S(C)(=O)=O ZINC000093521161 184687607 /nfs/dbraw/zinc/68/76/07/184687607.db2.gz SANKDXXHXVYCNK-NSHDSACASA-N 0 3 273.398 2.014 10 0 CEAEHN CN[C@H](c1ccn(C)n1)[C@@H]1CCCc2cccnc21 ZINC000094135849 184755736 /nfs/dbraw/zinc/75/57/36/184755736.db2.gz RMUIEMDSLLZTMO-DOMZBBRYSA-N 0 3 256.353 2.196 10 0 CEAEHN CC1(C)Cc2nc([C@H]3CSCCO3)ncc2[C@@H](N)C1 ZINC000094505122 184812350 /nfs/dbraw/zinc/81/23/50/184812350.db2.gz IBCPNNBHDKESGJ-CMPLNLGQSA-N 0 3 279.409 2.253 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc(C3CC3)cc2)CCO1 ZINC000094520443 184813973 /nfs/dbraw/zinc/81/39/73/184813973.db2.gz SKEVUAQQHNKPQE-WBMJQRKESA-N 0 3 260.381 2.285 10 0 CEAEHN NC(=O)[C@]1(N)CCC[C@H](Sc2cc3ccccc3[nH]2)C1 ZINC000094630030 184829858 /nfs/dbraw/zinc/82/98/58/184829858.db2.gz GRPBAQBWGGIZIL-NHYWBVRUSA-N 0 3 289.404 2.385 10 0 CEAEHN CCC[C@H]1C[C@@H]1NCc1ccc2c(c1)NC(=O)CO2 ZINC000233417621 130930220 /nfs/dbraw/zinc/93/02/20/130930220.db2.gz ZFIZJPPRMPBWQF-RYUDHWBXSA-N 0 3 260.337 2.296 10 0 CEAEHN CCC[C@](C)(N)C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000262101169 131190958 /nfs/dbraw/zinc/19/09/58/131190958.db2.gz CWNMPCOSYYPZAG-LRDDRELGSA-N 0 3 293.411 2.393 10 0 CEAEHN CCC[C@](C)(N)C(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000262717043 131254913 /nfs/dbraw/zinc/25/49/13/131254913.db2.gz VZOBATWBZGVOQI-IFXJQAMLSA-N 0 3 282.409 2.021 10 0 CEAEHN C[C@@H]1CN(c2ccc(Br)cc2N)CCN1C ZINC000082477599 135007439 /nfs/dbraw/zinc/00/74/39/135007439.db2.gz LYLNYOPOOUVGFA-SECBINFHSA-N 0 3 284.201 2.172 10 0 CEAEHN Clc1cc(Cl)c(N2CCNCC2)c2nsnc21 ZINC000088120624 135052393 /nfs/dbraw/zinc/05/23/93/135052393.db2.gz QOJSFYBIXXHVPT-UHFFFAOYSA-N 0 3 289.191 2.408 10 0 CEAEHN c1csc(-c2cnc(N3CCNCC3)c3[nH]cnc32)c1 ZINC000089203263 135058123 /nfs/dbraw/zinc/05/81/23/135058123.db2.gz YCNZSNQOAGUNSO-UHFFFAOYSA-N 0 3 285.376 2.096 10 0 CEAEHN CN1C(=O)C[C@H](NC[C@@H]2CCC[C@@H]2CO)c2ccccc21 ZINC000089485221 135059415 /nfs/dbraw/zinc/05/94/15/135059415.db2.gz MGSVWUNSGMYKKD-GUTXKFCHSA-N 0 3 288.391 2.092 10 0 CEAEHN N[C@H]1Cc2ccccc2N(C(=O)c2ccncc2Cl)C1 ZINC000091457075 135070365 /nfs/dbraw/zinc/07/03/65/135070365.db2.gz GFUINORKMSVXRY-NSHDSACASA-N 0 3 287.750 2.265 10 0 CEAEHN CC(=O)c1ccc(N2CCC[C@@H](N(C)C)C2)cc1O ZINC000093669687 135082102 /nfs/dbraw/zinc/08/21/02/135082102.db2.gz NXSLZSRKTJQHGV-CYBMUJFWSA-N 0 3 262.353 2.125 10 0 CEAEHN CC[C@H]1CN(c2nc(C(F)(F)F)ccc2CN)CCO1 ZINC000094334104 135086051 /nfs/dbraw/zinc/08/60/51/135086051.db2.gz OGEPGGQIJUXOCY-JTQLQIEISA-N 0 3 289.301 2.174 10 0 CEAEHN CCCOc1nc(N2CCN3CCCC[C@@H]3C2)ccc1N ZINC000094439017 135087578 /nfs/dbraw/zinc/08/75/78/135087578.db2.gz RFNHQUFRPSEIRY-CYBMUJFWSA-N 0 3 290.411 2.127 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1C[C@@H](OCC)C1(CC)CC ZINC000236928084 394490104 /nfs/dbraw/zinc/49/01/04/394490104.db2.gz GXXBXBIZKUXPJM-RWMBFGLXSA-N 0 3 270.417 2.214 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(C[C@H]2CCC(C)(C)O2)C1 ZINC000248573277 394543088 /nfs/dbraw/zinc/54/30/88/394543088.db2.gz RZHDIFALQXFXMM-ZIAGYGMSSA-N 0 3 282.428 2.325 10 0 CEAEHN Cc1ccc([C@@H](O)CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000093952633 394670044 /nfs/dbraw/zinc/67/00/44/394670044.db2.gz JUUMIMSZGZPTCW-SJORKVTESA-N 0 3 274.408 2.199 10 0 CEAEHN CCOc1cc(C)nc(N2CCN([C@H](C)CC)CC2)n1 ZINC000181125237 395210561 /nfs/dbraw/zinc/21/05/61/395210561.db2.gz CATRVXUQDFSNAB-CYBMUJFWSA-N 0 3 278.400 2.104 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC(OCC(C)C)CC1 ZINC000195157789 395460593 /nfs/dbraw/zinc/46/05/93/395460593.db2.gz CHJOXLCXDROZSQ-OAHLLOKOSA-N 0 3 287.444 2.301 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2ccnc(SC)c2)C1 ZINC000194458771 395437237 /nfs/dbraw/zinc/43/72/37/395437237.db2.gz XFZPWCKKSMGZMQ-GFCCVEGCSA-N 0 3 279.409 2.018 10 0 CEAEHN COc1c(CNC[C@@H](C)CC(F)F)c(C)nn1C ZINC000647225344 396445304 /nfs/dbraw/zinc/44/53/04/396445304.db2.gz ACPCLTDVQUMAIP-QMMMGPOBSA-N 0 3 261.316 2.118 10 0 CEAEHN Cc1ccc(CN2C[C@H]3CCCCN3C[C@@H]2C)cn1 ZINC000094434567 292102790 /nfs/dbraw/zinc/10/27/90/292102790.db2.gz NHAZDPVBZUDWAT-GOEBONIOSA-N 0 3 259.397 2.449 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000037030931 400114975 /nfs/dbraw/zinc/11/49/75/400114975.db2.gz PAOBAFZPQIRFPD-IAQYHMDHSA-N 0 3 260.381 2.480 10 0 CEAEHN NCc1cn(CCC23CC4CC(CC(C4)C2)C3)nn1 ZINC000050224863 400238492 /nfs/dbraw/zinc/23/84/92/400238492.db2.gz SJICUOPGZOVUEZ-UHFFFAOYSA-N 0 3 260.385 2.343 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000390721054 400540676 /nfs/dbraw/zinc/54/06/76/400540676.db2.gz FJQWKOSHKDEAKW-DZGCQCFKSA-N 0 3 278.396 2.081 10 0 CEAEHN c1nc(CNC2[C@@H]3C[C@H]2CN(Cc2ccccc2)C3)co1 ZINC000399702425 400565351 /nfs/dbraw/zinc/56/53/51/400565351.db2.gz KCYFEPPKDKNNCW-FKEKPDDDSA-N 0 3 283.375 2.285 10 0 CEAEHN COCc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000192526373 153210780 /nfs/dbraw/zinc/21/07/80/153210780.db2.gz MXXIXNOUOUHVMP-HNNXBMFYSA-N 0 3 289.379 2.145 10 0 CEAEHN Cc1csc([C@H]2CCCN(CCN3CCCC3=O)C2)n1 ZINC000195322729 153282697 /nfs/dbraw/zinc/28/26/97/153282697.db2.gz GQVHNVZETQRYDM-ZDUSSCGKSA-N 0 3 293.436 2.253 10 0 CEAEHN CCc1ccsc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195337339 153287805 /nfs/dbraw/zinc/28/78/05/153287805.db2.gz HYMJMVJXOKYSPZ-GFCCVEGCSA-N 0 3 264.394 2.231 10 0 CEAEHN CC(C)Cc1noc(CN2CCC(c3ccn[nH]3)CC2)n1 ZINC000195505126 153293576 /nfs/dbraw/zinc/29/35/76/153293576.db2.gz NUVDZZSVLVLSNR-UHFFFAOYSA-N 0 3 289.383 2.371 10 0 CEAEHN c1cc(C2CCN(Cc3cn4ccccc4n3)CC2)[nH]n1 ZINC000195513390 153293697 /nfs/dbraw/zinc/29/36/97/153293697.db2.gz OILPSYZZEDDIAK-UHFFFAOYSA-N 0 3 281.363 2.437 10 0 CEAEHN COc1ccc(F)cc1CN1CC[C@@H](CCO)C1 ZINC000227569846 153348419 /nfs/dbraw/zinc/34/84/19/153348419.db2.gz VHONYLXDISNFTB-NSHDSACASA-N 0 3 253.317 2.039 10 0 CEAEHN CC[C@@H](c1nc([C@@H]2CNCCN2C)no1)c1ccccc1 ZINC000263149424 154023695 /nfs/dbraw/zinc/02/36/95/154023695.db2.gz CZSRHZYXRTYNCA-KGLIPLIRSA-N 0 3 286.379 2.188 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)CCC(F)(F)F)C1 ZINC000263470678 154100868 /nfs/dbraw/zinc/10/08/68/154100868.db2.gz DOAQZTQOWRHADS-KPPDAEKUSA-N 0 3 296.333 2.245 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](C)CCC(F)(F)F)C1 ZINC000263470678 154100873 /nfs/dbraw/zinc/10/08/73/154100873.db2.gz DOAQZTQOWRHADS-KPPDAEKUSA-N 0 3 296.333 2.245 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](C)CCC(F)(F)F)C1 ZINC000263470678 154100880 /nfs/dbraw/zinc/10/08/80/154100880.db2.gz DOAQZTQOWRHADS-KPPDAEKUSA-N 0 3 296.333 2.245 10 0 CEAEHN CCC(CC)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263491735 154103855 /nfs/dbraw/zinc/10/38/55/154103855.db2.gz IROJURZCIBKUGX-UHFFFAOYSA-N 0 3 268.401 2.092 10 0 CEAEHN CCC(CC)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263491735 154103859 /nfs/dbraw/zinc/10/38/59/154103859.db2.gz IROJURZCIBKUGX-UHFFFAOYSA-N 0 3 268.401 2.092 10 0 CEAEHN CCC(CC)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263491735 154103865 /nfs/dbraw/zinc/10/38/65/154103865.db2.gz IROJURZCIBKUGX-UHFFFAOYSA-N 0 3 268.401 2.092 10 0 CEAEHN C[C@@H]1CC[C@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511848 154110252 /nfs/dbraw/zinc/11/02/52/154110252.db2.gz NOZFGMGSTSRCEV-WSYDAFBYSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]1CC[C@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511848 154110256 /nfs/dbraw/zinc/11/02/56/154110256.db2.gz NOZFGMGSTSRCEV-WSYDAFBYSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]1CC[C@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511848 154110261 /nfs/dbraw/zinc/11/02/61/154110261.db2.gz NOZFGMGSTSRCEV-WSYDAFBYSA-N 0 3 280.412 2.092 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCS[C@H](C)C1 ZINC000171425675 162383652 /nfs/dbraw/zinc/38/36/52/162383652.db2.gz RGWGYPIORRJTJB-CHWSQXEVSA-N 0 3 287.473 2.110 10 0 CEAEHN Cc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1F ZINC000171807176 162390140 /nfs/dbraw/zinc/39/01/40/162390140.db2.gz INNMZTHSPHAHMU-AWEZNQCLSA-N 0 3 291.370 2.124 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(CCCOC(C)C)C2)no1 ZINC000171503422 165045577 /nfs/dbraw/zinc/04/55/77/165045577.db2.gz QGOFOAFRYSNSGS-CQSZACIVSA-N 0 3 281.400 2.448 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1c(C)noc1Cl ZINC000177032489 165187140 /nfs/dbraw/zinc/18/71/40/165187140.db2.gz AMRPWCUYXOTYGC-NSHDSACASA-N 0 3 299.802 2.122 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)COc2cc(C)ccc2F)C1 ZINC000178106357 165224134 /nfs/dbraw/zinc/22/41/34/165224134.db2.gz BMEAKAFIOOBQMI-CYBMUJFWSA-N 0 3 294.370 2.113 10 0 CEAEHN CCCC[C@H](C(=O)OC)N1CCC[C@@H]1Cn1ccnc1C ZINC000178317429 165233631 /nfs/dbraw/zinc/23/36/31/165233631.db2.gz BTJREJMSSCJSHZ-HUUCEWRRSA-N 0 3 293.411 2.388 10 0 CEAEHN N=C(N)c1cccnc1Oc1ccc2c(c1)CCC(=O)N2 ZINC000019429052 170796272 /nfs/dbraw/zinc/79/62/72/170796272.db2.gz WCPLHVQVJCPEEY-UHFFFAOYSA-N 0 3 282.303 2.043 10 0 CEAEHN N[C@@H](c1ccc2c(c1)CCO2)[C@@H]1COc2ccccc2O1 ZINC000019971098 170954623 /nfs/dbraw/zinc/95/46/23/170954623.db2.gz CKUQQPPZNCDHSJ-IRXDYDNUSA-N 0 3 283.327 2.461 10 0 CEAEHN CN1CCC(Nc2ccc(-c3nnco3)cc2)CC1 ZINC000020186806 171050878 /nfs/dbraw/zinc/05/08/78/171050878.db2.gz SEYSRYHSUYQJRV-UHFFFAOYSA-N 0 3 258.325 2.243 10 0 CEAEHN CCCN(C)[C@H](CN)c1cccc(OC)c1OC ZINC000020226677 171091308 /nfs/dbraw/zinc/09/13/08/171091308.db2.gz OLDTWYXFUOPKME-GFCCVEGCSA-N 0 3 252.358 2.045 10 0 CEAEHN Nc1ccc(Cl)cc1NC(=O)CCN1CCSCC1 ZINC000020256884 171110984 /nfs/dbraw/zinc/11/09/84/171110984.db2.gz CNXQIQYOARMCIN-UHFFFAOYSA-N 0 3 299.827 2.300 10 0 CEAEHN CN(C)CCNc1c(F)c(F)c(F)c(F)c1F ZINC000021057287 171296055 /nfs/dbraw/zinc/29/60/55/171296055.db2.gz UTPOJXMMOQGFTD-UHFFFAOYSA-N 0 3 254.202 2.356 10 0 CEAEHN O=C(NCCN1CCCC1)c1ncoc1-c1cccs1 ZINC000021641903 171317717 /nfs/dbraw/zinc/31/77/17/171317717.db2.gz ZBPWLJCSSDHJBJ-UHFFFAOYSA-N 0 3 291.376 2.229 10 0 CEAEHN N[C@@H](CN1CCOCC1)c1cccc2ccccc21 ZINC000022565541 171392065 /nfs/dbraw/zinc/39/20/65/171392065.db2.gz SBJIEGZLPHBHPZ-INIZCTEOSA-N 0 3 256.349 2.172 10 0 CEAEHN COCCCNC(=O)[C@@H](C)N[C@@H]1CCCc2ccccc21 ZINC000035221870 172064772 /nfs/dbraw/zinc/06/47/72/172064772.db2.gz VPJZXJUSWVXFTO-CZUORRHYSA-N 0 3 290.407 2.195 10 0 CEAEHN CN[C@@H](CC(F)(F)F)c1ccc2c(c1)CC(=O)N2C ZINC000035497355 172230297 /nfs/dbraw/zinc/23/02/97/172230297.db2.gz SQTTVBPCMXEBPX-JTQLQIEISA-N 0 3 272.270 2.418 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1ccc(C)cc1[C@H](C)NC ZINC000035629515 172310006 /nfs/dbraw/zinc/31/00/06/172310006.db2.gz OGRXOXABDYEWBZ-RYUDHWBXSA-N 0 3 264.369 2.179 10 0 CEAEHN N[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000035679610 172350391 /nfs/dbraw/zinc/35/03/91/172350391.db2.gz LKPDMIJKCIHXHP-SSDOTTSWSA-N 0 3 278.661 2.423 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000036136620 172459689 /nfs/dbraw/zinc/45/96/89/172459689.db2.gz RPHBTRLMTZEHCJ-ZIAGYGMSSA-N 0 3 261.369 2.119 10 0 CEAEHN CCOCCNCc1cc2c(c(Cl)c1)OCO2 ZINC000036228875 172526191 /nfs/dbraw/zinc/52/61/91/172526191.db2.gz OGQDUUFKJRPGEF-UHFFFAOYSA-N 0 3 257.717 2.195 10 0 CEAEHN COc1ccc2c(c1)[C@H](NCCCn1ccnc1)CCO2 ZINC000037249442 173061723 /nfs/dbraw/zinc/06/17/23/173061723.db2.gz CXBCLTUEQZNTKK-OAHLLOKOSA-N 0 3 287.363 2.395 10 0 CEAEHN NC(=O)c1ccc(F)c(CNCC2CCCC2)c1 ZINC000037258525 173069405 /nfs/dbraw/zinc/06/94/05/173069405.db2.gz FHRAOQAGZZFJCE-UHFFFAOYSA-N 0 3 250.317 2.204 10 0 CEAEHN CC[C@H](C)CN(C)CC(=O)Nc1ccc(C)cc1N ZINC000037273550 173085747 /nfs/dbraw/zinc/08/57/47/173085747.db2.gz QMIOJWRLKXCETC-NSHDSACASA-N 0 3 263.385 2.494 10 0 CEAEHN CCn1c2cccc(F)c2nc1[C@@H]1C[C@@H](OC)CN1 ZINC000037442688 173211236 /nfs/dbraw/zinc/21/12/36/173211236.db2.gz IJYQTHOYSPPYHS-KOLCDFICSA-N 0 3 263.316 2.245 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc3cccc(Cl)c3n2C)C1 ZINC000037443646 173212344 /nfs/dbraw/zinc/21/23/44/173212344.db2.gz PWWMPMHNESJOOU-KCJUWKMLSA-N 0 3 265.744 2.276 10 0 CEAEHN CC(C)N[C@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037446447 173213337 /nfs/dbraw/zinc/21/33/37/173213337.db2.gz HJBSPPKBQPPKJK-LBPRGKRZSA-N 0 3 274.286 2.404 10 0 CEAEHN CSc1ccc(CN(C)C(=O)CNC(C)C)cc1 ZINC000037495149 173234803 /nfs/dbraw/zinc/23/48/03/173234803.db2.gz QCZRDAIKWPNXOW-UHFFFAOYSA-N 0 3 266.410 2.365 10 0 CEAEHN CCCCN(CC(F)(F)F)C(=O)[C@H]1CCCCN1 ZINC000037811992 173757170 /nfs/dbraw/zinc/75/71/70/173757170.db2.gz KLCONUYXLGPLEU-SNVBAGLBSA-N 0 3 266.307 2.320 10 0 CEAEHN Cc1ccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)o1 ZINC000037816990 173766969 /nfs/dbraw/zinc/76/69/69/173766969.db2.gz AENMVPPFOXWSMO-ZDUSSCGKSA-N 0 3 252.358 2.308 10 0 CEAEHN C[C@@H](CN[C@H]1COc2cc(O)ccc21)N1CCCCC1 ZINC000038028604 174017520 /nfs/dbraw/zinc/01/75/20/174017520.db2.gz TZYSAVQNJSUYBR-WFASDCNBSA-N 0 3 276.380 2.290 10 0 CEAEHN CC[C@H](C)N[C@@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000038065145 174075803 /nfs/dbraw/zinc/07/58/03/174075803.db2.gz ZIHIMHYSSUIQGW-SMDDNHRTSA-N 0 3 264.369 2.388 10 0 CEAEHN COc1ccc(-c2cnn(C)c2)cc1CNC1CC1 ZINC000038073133 174083240 /nfs/dbraw/zinc/08/32/40/174083240.db2.gz KVICCVWXCVPFQZ-UHFFFAOYSA-N 0 3 257.337 2.348 10 0 CEAEHN CCN(CC)CCN[C@@H](CO)c1ccc(Cl)cc1 ZINC000038117000 174125686 /nfs/dbraw/zinc/12/56/86/174125686.db2.gz LWYQQVBUSBWYEQ-AWEZNQCLSA-N 0 3 270.804 2.305 10 0 CEAEHN CN(CCO)Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000039260123 174167457 /nfs/dbraw/zinc/16/74/57/174167457.db2.gz NHTAQNXZFMZXBU-KRWDZBQOSA-N 0 3 271.360 2.192 10 0 CEAEHN CNCc1nc2ccc(Cl)cc2n1CCOC ZINC000040404820 174254012 /nfs/dbraw/zinc/25/40/12/174254012.db2.gz MTYNNUSBGZNWPO-UHFFFAOYSA-N 0 3 253.733 2.056 10 0 CEAEHN COc1ccc([C@@H](C)NC(=O)[C@](C)(N)C2CC2)cc1OC ZINC000040491286 174292386 /nfs/dbraw/zinc/29/23/86/174292386.db2.gz LUAGOTWCZHEYAT-QLJPJBMISA-N 0 3 292.379 2.008 10 0 CEAEHN CCCCOCCN[C@H](C)C(=O)NC(CC)CC ZINC000040507351 174302790 /nfs/dbraw/zinc/30/27/90/174302790.db2.gz DGNIRMPVSFDUOO-GFCCVEGCSA-N 0 3 258.406 2.086 10 0 CEAEHN CCCC[C@@H](N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519133 174308628 /nfs/dbraw/zinc/30/86/28/174308628.db2.gz HGHOVURMLSKXOO-MWLCHTKSSA-N 0 3 269.414 2.455 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccc(C)cc3)c[nH]2)C1 ZINC000040637724 174361775 /nfs/dbraw/zinc/36/17/75/174361775.db2.gz MSJNPQVFESXZNU-QWHCGFSZSA-N 0 3 257.337 2.435 10 0 CEAEHN Cn1ccnc1CCNCc1ccc(F)c(F)c1 ZINC000040638546 174363263 /nfs/dbraw/zinc/36/32/63/174363263.db2.gz YJIHZTOAVGWOCY-UHFFFAOYSA-N 0 3 251.280 2.031 10 0 CEAEHN C[C@@H](NC(C)(C)C(N)=O)c1ccc(Br)cc1 ZINC000040674050 174372360 /nfs/dbraw/zinc/37/23/60/174372360.db2.gz DSJDTSFWKBNIPK-MRVPVSSYSA-N 0 3 285.185 2.364 10 0 CEAEHN C[C@@H]1CCN(c2nc3sccn3c2CNC2CC2)C1 ZINC000040723715 174385955 /nfs/dbraw/zinc/38/59/55/174385955.db2.gz HHKWIMZEVWPRPB-SNVBAGLBSA-N 0 3 276.409 2.494 10 0 CEAEHN Cc1nn(CCOc2ccccc2CN)c(C)c1C ZINC000040729020 174388198 /nfs/dbraw/zinc/38/81/98/174388198.db2.gz CCQNKYGILVWBIW-UHFFFAOYSA-N 0 3 259.353 2.346 10 0 CEAEHN CCc1c(C)nn(-c2c(CNC3CC3)c(C)nn2C)c1C ZINC000040733474 174388866 /nfs/dbraw/zinc/38/88/66/174388866.db2.gz HTEJLNBIXFDXPO-UHFFFAOYSA-N 0 3 287.411 2.345 10 0 CEAEHN CC(C)c1ccc([C@H](N)CN2C(=O)C[C@@H](C)C2=O)cc1 ZINC000040739744 174390509 /nfs/dbraw/zinc/39/05/09/174390509.db2.gz YPOLOXMLOVVNHE-BXUZGUMPSA-N 0 3 274.364 2.205 10 0 CEAEHN CCCc1ccc([C@@H](N)CN2C(=O)C[C@H](C)C2=O)cc1 ZINC000040739765 174390571 /nfs/dbraw/zinc/39/05/71/174390571.db2.gz RUTVBAPBUFNDAH-FZMZJTMJSA-N 0 3 274.364 2.034 10 0 CEAEHN COC(=O)c1ccccc1CNCCN1CCCCCC1 ZINC000040767819 174398020 /nfs/dbraw/zinc/39/80/20/174398020.db2.gz QIUKJCUZZPQZRJ-UHFFFAOYSA-N 0 3 290.407 2.439 10 0 CEAEHN CC(C)(N)c1cn(CCSc2ccc(F)cc2)nn1 ZINC000070117919 414764844 /nfs/dbraw/zinc/76/48/44/414764844.db2.gz QUYKNSCHBRDCTL-UHFFFAOYSA-N 0 3 280.372 2.403 10 0 CEAEHN CSc1ccc(Cn2cc(C(C)(C)N)nn2)cc1 ZINC000070118331 414765329 /nfs/dbraw/zinc/76/53/29/414765329.db2.gz PYCFWLDOLQTUIR-UHFFFAOYSA-N 0 3 262.382 2.242 10 0 CEAEHN CCCCOC[C@H](O)CN1C[C@@H](CC)OC[C@H]1CC ZINC000403727654 414767158 /nfs/dbraw/zinc/76/71/58/414767158.db2.gz ACFVZHCZQPVMKA-RBSFLKMASA-N 0 3 273.417 2.053 10 0 CEAEHN Cc1cccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)c1C ZINC000662975855 414815022 /nfs/dbraw/zinc/81/50/22/414815022.db2.gz KNCQLFMZJSDWMQ-NSHDSACASA-N 0 3 274.286 2.265 10 0 CEAEHN CN(C(=O)c1ccc(Cl)cc1F)[C@@H](CN)C(F)(F)F ZINC000662976568 414816307 /nfs/dbraw/zinc/81/63/07/414816307.db2.gz GRKLGTJZKSDENR-VIFPVBQESA-N 0 3 298.667 2.441 10 0 CEAEHN CN(C(=O)Cc1cccc(Cl)c1)[C@@H](CN)C(F)(F)F ZINC000662979693 414817050 /nfs/dbraw/zinc/81/70/50/414817050.db2.gz XJJYMUWXNYKCAB-JTQLQIEISA-N 0 3 294.704 2.231 10 0 CEAEHN CN(C(=O)C1C(C)(C)C1(C)C)[C@@H](CN)C(F)(F)F ZINC000662978138 414817341 /nfs/dbraw/zinc/81/73/41/414817341.db2.gz FAIKADVFOKVFMA-ZETCQYMHSA-N 0 3 266.307 2.017 10 0 CEAEHN CN(C(=O)CC1=CCCCC1)[C@H](CN)C(F)(F)F ZINC000662986688 414819452 /nfs/dbraw/zinc/81/94/52/414819452.db2.gz IDOURHQLGAJEGQ-SNVBAGLBSA-N 0 3 264.291 2.225 10 0 CEAEHN COc1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)on1 ZINC000660463663 414835976 /nfs/dbraw/zinc/83/59/76/414835976.db2.gz DUVJKRRTCGSPPV-BFHYXJOUSA-N 0 3 280.368 2.199 10 0 CEAEHN CC(C)OC[C@H](O)CN[C@H](C)c1ccccc1F ZINC000042203585 174657153 /nfs/dbraw/zinc/65/71/53/174657153.db2.gz CTSZRFYJMHEZNW-VXGBXAGGSA-N 0 3 255.333 2.262 10 0 CEAEHN COc1c(CNC[C@H](C)c2ccccn2)c(C)nn1C ZINC000657532882 414990528 /nfs/dbraw/zinc/99/05/28/414990528.db2.gz NGKHZSYPSPGMKI-NSHDSACASA-N 0 3 274.368 2.025 10 0 CEAEHN OCC1CC(NCc2ccc(Br)cc2F)C1 ZINC000657809376 415087519 /nfs/dbraw/zinc/08/75/19/415087519.db2.gz XCYPHMJRPKFPHY-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN NC[C@H](OC[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000043018852 174944174 /nfs/dbraw/zinc/94/41/74/174944174.db2.gz HXUCQRURLWXVFO-GWCFXTLKSA-N 0 3 255.745 2.393 10 0 CEAEHN CN[C@@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300265 175000856 /nfs/dbraw/zinc/00/08/56/175000856.db2.gz POEOQSUZTHXCNW-JQWIXIFHSA-N 0 3 273.785 2.035 10 0 CEAEHN N[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299965 175000964 /nfs/dbraw/zinc/00/09/64/175000964.db2.gz FQWZNXBRVLMDCT-KOLCDFICSA-N 0 3 293.310 2.140 10 0 CEAEHN CCN[C@@H](c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300939 175001568 /nfs/dbraw/zinc/00/15/68/175001568.db2.gz MLZSKVYVRFRBDQ-KBPBESRZSA-N 0 3 267.394 2.080 10 0 CEAEHN C[C@H](N)[C@H](c1ccco1)N(C)C[C@@H]1CCCCO1 ZINC000043335729 175011464 /nfs/dbraw/zinc/01/14/64/175011464.db2.gz HCPOCRDUWJQCCI-SGMGOOAPSA-N 0 3 252.358 2.169 10 0 CEAEHN NC[C@@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccccn1 ZINC000043341768 175015023 /nfs/dbraw/zinc/01/50/23/175015023.db2.gz UMEBOJJTZRLWGK-OAHLLOKOSA-N 0 3 283.331 2.045 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccccn1)N(CC(F)(F)F)C1CC1 ZINC000043341179 175015035 /nfs/dbraw/zinc/01/50/35/175015035.db2.gz HCZATDYWNLTTID-SKDRFNHKSA-N 0 3 273.302 2.497 10 0 CEAEHN Cc1ncsc1CCO[C@@H](CN)c1ccccn1 ZINC000043342933 175015991 /nfs/dbraw/zinc/01/59/91/175015991.db2.gz OAGYEIHBCSLMBJ-LBPRGKRZSA-N 0 3 263.366 2.106 10 0 CEAEHN COc1ccc(CN(C)[C@@H](CN)c2ccncc2)cc1 ZINC000043354027 175021358 /nfs/dbraw/zinc/02/13/58/175021358.db2.gz PALWQBMGPJOSIF-INIZCTEOSA-N 0 3 271.364 2.222 10 0 CEAEHN NC[C@@H](c1ccncc1)N(Cc1ccco1)C1CC1 ZINC000043354771 175022591 /nfs/dbraw/zinc/02/25/91/175022591.db2.gz NLIAYHQVPYQBQA-HNNXBMFYSA-N 0 3 257.337 2.339 10 0 CEAEHN COc1cc(C)ccc1O[C@H](CN)c1ccncc1 ZINC000043355512 175022957 /nfs/dbraw/zinc/02/29/57/175022957.db2.gz UONJWBLJRUCACY-OAHLLOKOSA-N 0 3 258.321 2.477 10 0 CEAEHN Cc1cc(CN(C)[C@H](c2ccc(C)o2)[C@@H](C)N)no1 ZINC000043364433 175024576 /nfs/dbraw/zinc/02/45/76/175024576.db2.gz HLHZUWJQSJQLAD-RISCZKNCSA-N 0 3 263.341 2.405 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N(CC(N)=O)C1CCCC1 ZINC000043365102 175026255 /nfs/dbraw/zinc/02/62/55/175026255.db2.gz FIDMSUOCAGKDDX-BBRMVZONSA-N 0 3 293.411 2.096 10 0 CEAEHN CN[C@H](c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043389111 175033267 /nfs/dbraw/zinc/03/32/67/175033267.db2.gz UBFWWMZWYDNIHD-JOYOIKCWSA-N 0 3 291.775 2.174 10 0 CEAEHN CN[C@H](CN1CCCCC1)c1ccc(OC)cc1OC ZINC000043813881 175111857 /nfs/dbraw/zinc/11/18/57/175111857.db2.gz KWOKUZIAMPWUHP-OAHLLOKOSA-N 0 3 278.396 2.450 10 0 CEAEHN CN[C@H](CN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000043813966 175111887 /nfs/dbraw/zinc/11/18/87/175111887.db2.gz ADDPDQWHBXGNGU-CYBMUJFWSA-N 0 3 262.353 2.162 10 0 CEAEHN CCCN(C)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043885936 175116736 /nfs/dbraw/zinc/11/67/36/175116736.db2.gz HEJIWYSISFPHQD-CQSZACIVSA-N 0 3 278.396 2.450 10 0 CEAEHN CCCN(C)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000043885884 175117180 /nfs/dbraw/zinc/11/71/80/175117180.db2.gz SJQDYNSBLKWBGC-ZDUSSCGKSA-N 0 3 264.369 2.060 10 0 CEAEHN CN[C@H](CN1CCC(OC)CC1)c1cc(C)ccc1OC ZINC000043890031 175117890 /nfs/dbraw/zinc/11/78/90/175117890.db2.gz GKVRJRGZFBFWSC-MRXNPFEDSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN[C@@H](CN1CCOC[C@@H]1C)c1ccccc1OC ZINC000043891406 175118113 /nfs/dbraw/zinc/11/81/13/175118113.db2.gz RKXVNFUPRUTYPZ-ZFWWWQNUSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N(C)Cc1cccnc1 ZINC000043893530 175118376 /nfs/dbraw/zinc/11/83/76/175118376.db2.gz YEOWMLDCEASUKL-WBVHZDCISA-N 0 3 283.375 2.235 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@@H]1N(C)Cc1ccccn1 ZINC000043894369 175119119 /nfs/dbraw/zinc/11/91/19/175119119.db2.gz VCHIHWQGJOYRPL-DOTOQJQBSA-N 0 3 283.375 2.235 10 0 CEAEHN CN[C@H](CN1CCOC(C)(C)C1)c1ccc(OC)cc1 ZINC000043897652 175120264 /nfs/dbraw/zinc/12/02/64/175120264.db2.gz XPCJTKMULJVSGM-OAHLLOKOSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOc1ccc([C@H](CN2CCOC[C@@H]2CC)NC)cc1 ZINC000043898957 175121446 /nfs/dbraw/zinc/12/14/46/175121446.db2.gz GKGFTXXSSDQSOP-RDJZCZTQSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCO1 ZINC000043966166 175128199 /nfs/dbraw/zinc/12/81/99/175128199.db2.gz QPMMTRBJCOZGSE-LXZKKBNFSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN1CCC/C1=C/C=C1/OC(=S)N(CC)C1=O ZINC000044709870 175235783 /nfs/dbraw/zinc/23/57/83/175235783.db2.gz DECLZXRSXROLLJ-BDLVGCLISA-N 0 3 266.366 2.034 10 0 CEAEHN O=C1NCCCC[C@@H]1N[C@H]1CCCc2cc(O)ccc21 ZINC000044747168 175242683 /nfs/dbraw/zinc/24/26/83/175242683.db2.gz MESIJWZDDZIFKR-GJZGRUSLSA-N 0 3 274.364 2.028 10 0 CEAEHN CC[C@@H](C)N(CC)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044800644 175255688 /nfs/dbraw/zinc/25/56/88/175255688.db2.gz UCZYTBPMQUYEEH-HIFRSBDPSA-N 0 3 262.397 2.451 10 0 CEAEHN CN(C(=O)[C@H](CN)Cc1ccccc1)C1CCCC1 ZINC000044800435 175255708 /nfs/dbraw/zinc/25/57/08/175255708.db2.gz ZYVXONKFZUNDLX-AWEZNQCLSA-N 0 3 260.381 2.205 10 0 CEAEHN CC[C@H]1CCCN1C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044803292 175256137 /nfs/dbraw/zinc/25/61/37/175256137.db2.gz AADORWSRBHIIOB-CABCVRRESA-N 0 3 260.381 2.205 10 0 CEAEHN CC1(NS(=O)(=O)Cc2ccccc2CN)CCCCC1 ZINC000045046345 175296159 /nfs/dbraw/zinc/29/61/59/175296159.db2.gz CRSHIWXNOGEVNN-UHFFFAOYSA-N 0 3 296.436 2.288 10 0 CEAEHN CN(CC(N)=S)Cc1cccc(C(F)(F)F)c1 ZINC000045063056 175298881 /nfs/dbraw/zinc/29/88/81/175298881.db2.gz MCDIXPDWLAHKHF-UHFFFAOYSA-N 0 3 262.300 2.423 10 0 CEAEHN CCCNC(=O)CCN[C@H]1CCOc2ccc(OC)cc21 ZINC000045072880 175301677 /nfs/dbraw/zinc/30/16/77/175301677.db2.gz QJTRJJYRIVCYMI-AWEZNQCLSA-N 0 3 292.379 2.025 10 0 CEAEHN CCCN(CC(N)=S)Cc1ccc(OC)c(F)c1 ZINC000045093432 175306794 /nfs/dbraw/zinc/30/67/94/175306794.db2.gz WVJMNKQANDDUQD-UHFFFAOYSA-N 0 3 270.373 2.332 10 0 CEAEHN COc1nc2sccn2c1CN[C@@H]1CC1(C)C ZINC000045117341 175311761 /nfs/dbraw/zinc/31/17/61/175311761.db2.gz FQJFTRVNKARBPF-SECBINFHSA-N 0 3 251.355 2.293 10 0 CEAEHN CCN(CC)C(=O)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000045171581 175321189 /nfs/dbraw/zinc/32/11/89/175321189.db2.gz QWUFYHNXRGYOAE-LBPRGKRZSA-N 0 3 294.443 2.429 10 0 CEAEHN C[C@@](CC[NH+]1CCCCCCC1)(NC1CC1)C(=O)[O-] ZINC000045223736 175331573 /nfs/dbraw/zinc/33/15/73/175331573.db2.gz RBHDJWPDSZKCSC-HNNXBMFYSA-N 0 3 268.401 2.238 10 0 CEAEHN CCCC[NH+](CCCC)CC[C@@](C)(NC)C(=O)[O-] ZINC000045232753 175336168 /nfs/dbraw/zinc/33/61/68/175336168.db2.gz HXQTZZVSHWHQNY-CQSZACIVSA-N 0 3 258.406 2.341 10 0 CEAEHN CCCN(CC)C[C@@](NC)(C(=O)OCC)c1ccccc1 ZINC000045267447 175340210 /nfs/dbraw/zinc/34/02/10/175340210.db2.gz LJFQCQLRMDPXHF-KRWDZBQOSA-N 0 3 292.423 2.396 10 0 CEAEHN CCCCN(C[C@@](C)(NCCC)C(=O)OC)C1CC1 ZINC000045276254 175346743 /nfs/dbraw/zinc/34/67/43/175346743.db2.gz BKHNREHJVJDPBY-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CC(C)[N@H+](CC[C@](C)(NC1CC1)C(=O)[O-])CC1CC1 ZINC000045281016 175350831 /nfs/dbraw/zinc/35/08/31/175350831.db2.gz QLSUYGPTEUNUBF-HNNXBMFYSA-N 0 3 268.401 2.092 10 0 CEAEHN CC(C)[N@@H+](CC[C@](C)(NC1CC1)C(=O)[O-])CC1CC1 ZINC000045281016 175350832 /nfs/dbraw/zinc/35/08/32/175350832.db2.gz QLSUYGPTEUNUBF-HNNXBMFYSA-N 0 3 268.401 2.092 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)CCC(C)C)NC(C)C ZINC000045281243 175351796 /nfs/dbraw/zinc/35/17/96/175351796.db2.gz UGXKXDUSBOTCOM-OAHLLOKOSA-N 0 3 272.433 2.284 10 0 CEAEHN C[N@H+](CC[C@](C)(NC1CC1)C(=O)[O-])CC1CCCCC1 ZINC000045281622 175352414 /nfs/dbraw/zinc/35/24/14/175352414.db2.gz IQJVDMVFMZASPM-INIZCTEOSA-N 0 3 282.428 2.484 10 0 CEAEHN C[N@@H+](CC[C@](C)(NC1CC1)C(=O)[O-])CC1CCCCC1 ZINC000045281622 175352415 /nfs/dbraw/zinc/35/24/15/175352415.db2.gz IQJVDMVFMZASPM-INIZCTEOSA-N 0 3 282.428 2.484 10 0 CEAEHN CN(CC[C@](C)([NH2+]C1CC1)C(=O)[O-])CC1CCCCC1 ZINC000045281622 175352417 /nfs/dbraw/zinc/35/24/17/175352417.db2.gz IQJVDMVFMZASPM-INIZCTEOSA-N 0 3 282.428 2.484 10 0 CEAEHN CCOC(=O)[C@H](CN1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045379502 175368019 /nfs/dbraw/zinc/36/80/19/175368019.db2.gz ZTBQBFXDRLBDAY-MJBXVCDLSA-N 0 3 270.417 2.179 10 0 CEAEHN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CN ZINC000049455218 175479605 /nfs/dbraw/zinc/47/96/05/175479605.db2.gz YZLGBXPIZUOBBD-UHFFFAOYSA-N 0 3 252.321 2.430 10 0 CEAEHN COc1ccc([C@H](C)NC2CC(CO)C2)c(F)c1 ZINC000658351592 415333217 /nfs/dbraw/zinc/33/32/17/415333217.db2.gz PBDMMEJTNAFGFB-WHXUTIOJSA-N 0 3 253.317 2.256 10 0 CEAEHN C[C@@H]1CCCC[C@H]1C[NH+]1CCC(N(C)CC(=O)[O-])CC1 ZINC000263520746 287306934 /nfs/dbraw/zinc/30/69/34/287306934.db2.gz QUBDPAKUGNIOAB-KGLIPLIRSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263520746 287306936 /nfs/dbraw/zinc/30/69/36/287306936.db2.gz QUBDPAKUGNIOAB-KGLIPLIRSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CN1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000263520746 287306937 /nfs/dbraw/zinc/30/69/37/287306937.db2.gz QUBDPAKUGNIOAB-KGLIPLIRSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@](N)(C(=O)NCc1ccc(Cl)s1)C1CC1 ZINC000070599965 175995795 /nfs/dbraw/zinc/99/57/95/175995795.db2.gz FCNBSMSYPMQZBJ-NSHDSACASA-N 0 3 258.774 2.145 10 0 CEAEHN Cc1c(CN)cnn1Cc1ccc(Br)cc1 ZINC000070824366 176007359 /nfs/dbraw/zinc/00/73/59/176007359.db2.gz VFMZGLCRBLLDJO-UHFFFAOYSA-N 0 3 280.169 2.461 10 0 CEAEHN Cc1c(CN)cnn1Cc1ccccc1Br ZINC000070824520 176008002 /nfs/dbraw/zinc/00/80/02/176008002.db2.gz VHCBIMYCQBMDCB-UHFFFAOYSA-N 0 3 280.169 2.461 10 0 CEAEHN CCN(CCC(=O)OC)C[C@H]1OCCc2ccccc21 ZINC000071030869 176022128 /nfs/dbraw/zinc/02/21/28/176022128.db2.gz QAFZLOUYLBCSRG-OAHLLOKOSA-N 0 3 277.364 2.185 10 0 CEAEHN C[C@H](Cc1ccc(F)cc1)N1CCC[C@H](NC2CC2)C1=O ZINC000071031282 176022640 /nfs/dbraw/zinc/02/26/40/176022640.db2.gz UKNASYAVVSVZCC-WBMJQRKESA-N 0 3 290.382 2.500 10 0 CEAEHN COc1ccc(N2CC[C@@H](NC(C)C)C2=O)cc1Cl ZINC000071038109 176026355 /nfs/dbraw/zinc/02/63/55/176026355.db2.gz SJSTWWJCRICPFG-GFCCVEGCSA-N 0 3 282.771 2.452 10 0 CEAEHN CCCN[C@H]1CCN(c2cccc3cccnc32)C1=O ZINC000071037598 176026568 /nfs/dbraw/zinc/02/65/68/176026568.db2.gz KMHKYPPLIVKWRO-ZDUSSCGKSA-N 0 3 269.348 2.340 10 0 CEAEHN COc1ccc(C)cc1N1CC[C@H](NC(C)C)C1=O ZINC000071037779 176026718 /nfs/dbraw/zinc/02/67/18/176026718.db2.gz RKDSCFRJFFMKFH-LBPRGKRZSA-N 0 3 262.353 2.107 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1Cc1ccc(F)c(Cl)c1 ZINC000071042365 176028418 /nfs/dbraw/zinc/02/84/18/176028418.db2.gz GWFSZZYAKYHXND-ZDUSSCGKSA-N 0 3 282.746 2.332 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc2ncccc2c1 ZINC000071042560 176028471 /nfs/dbraw/zinc/02/84/71/176028471.db2.gz IWGBFOPUMXUCEE-HNNXBMFYSA-N 0 3 267.332 2.092 10 0 CEAEHN CN[C@H](C)c1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071098985 176032670 /nfs/dbraw/zinc/03/26/70/176032670.db2.gz TXPNDZMTNOZIHP-MLGOLLRUSA-N 0 3 271.364 2.478 10 0 CEAEHN NCc1cnc(Sc2ccc(F)cc2F)cn1 ZINC000071178524 176055852 /nfs/dbraw/zinc/05/58/52/176055852.db2.gz LCYLGNZPRCQBAQ-UHFFFAOYSA-N 0 3 253.277 2.365 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1O[C@@H]1CCN(C)C1=O ZINC000071183259 176058522 /nfs/dbraw/zinc/05/85/22/176058522.db2.gz ISXOFYYOMARQAL-TZMCWYRMSA-N 0 3 276.380 2.275 10 0 CEAEHN CCOC(=O)c1ncsc1N[C@@H](CN(C)C)C(C)C ZINC000071202095 176078370 /nfs/dbraw/zinc/07/83/70/176078370.db2.gz HYEIVTXDZPAQBY-JTQLQIEISA-N 0 3 285.413 2.318 10 0 CEAEHN NCc1cc(F)ccc1CN1CCCCCC1=O ZINC000071263745 176096803 /nfs/dbraw/zinc/09/68/03/176096803.db2.gz OCCMVPPMOSYCPE-UHFFFAOYSA-N 0 3 250.317 2.187 10 0 CEAEHN COc1ccc([C@H]2CNC[C@H](C3CC3)O2)cc1F ZINC000071308489 176116258 /nfs/dbraw/zinc/11/62/58/176116258.db2.gz YTUTUEGCTHFGQG-ZIAGYGMSSA-N 0 3 251.301 2.274 10 0 CEAEHN Nc1ccn(CCCN2CCC[C@@H]2c2cccnc2)n1 ZINC000071352054 176135055 /nfs/dbraw/zinc/13/50/55/176135055.db2.gz RGQOHJGXIWQSAU-CQSZACIVSA-N 0 3 271.368 2.088 10 0 CEAEHN CC(C)[N@H+](C)CCCCNCc1ccc(C(=O)[O-])o1 ZINC000071396234 176150084 /nfs/dbraw/zinc/15/00/84/176150084.db2.gz RTAMRTWXVMLDJR-UHFFFAOYSA-N 0 3 268.357 2.188 10 0 CEAEHN CC(C)[N@@H+](C)CCCCNCc1ccc(C(=O)[O-])o1 ZINC000071396234 176150085 /nfs/dbraw/zinc/15/00/85/176150085.db2.gz RTAMRTWXVMLDJR-UHFFFAOYSA-N 0 3 268.357 2.188 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@H](C)C(=O)OC ZINC000071403819 176155203 /nfs/dbraw/zinc/15/52/03/176155203.db2.gz IHGRPTHTPAGERA-LLVKDONJSA-N 0 3 251.326 2.045 10 0 CEAEHN Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(CNC(C)C)c1 ZINC000071406618 176155860 /nfs/dbraw/zinc/15/58/60/176155860.db2.gz OMNPDEIBZNNNBQ-ZDUSSCGKSA-N 0 3 278.396 2.349 10 0 CEAEHN Cc1cc(Br)cn(C2CCN(C)CC2)c1=O ZINC000071517342 176194040 /nfs/dbraw/zinc/19/40/40/176194040.db2.gz VIHGKCLDJYQIRS-UHFFFAOYSA-N 0 3 285.185 2.186 10 0 CEAEHN CC(C)(C)OC(=O)Nc1ccc([C@H](N)CO)cc1 ZINC000072199168 176339982 /nfs/dbraw/zinc/33/99/82/176339982.db2.gz LPRVGJUEFIVJKK-LLVKDONJSA-N 0 3 252.314 2.026 10 0 CEAEHN CO[C@@H](CN1CCN2CCCC[C@@H]2C1)C1CCCC1 ZINC000660076918 415873258 /nfs/dbraw/zinc/87/32/58/415873258.db2.gz LYXQWTXSIKDLTD-CVEARBPZSA-N 0 3 266.429 2.362 10 0 CEAEHN Cn1c(C[C@H](N)c2ccccn2)nc2ccccc21 ZINC000075727798 176763630 /nfs/dbraw/zinc/76/36/30/176763630.db2.gz FGCWWPAUFPJTQE-NSHDSACASA-N 0 3 252.321 2.211 10 0 CEAEHN CCN(CC)c1nc(C(F)(F)F)c(CN)s1 ZINC000075725857 176763761 /nfs/dbraw/zinc/76/37/61/176763761.db2.gz ANZMNGISZRINNE-UHFFFAOYSA-N 0 3 253.293 2.467 10 0 CEAEHN CC(C)Oc1ccc(NC(=O)CNC2CC2)cc1F ZINC000076374301 177010199 /nfs/dbraw/zinc/01/01/99/177010199.db2.gz FSRUKIMYRYVJGU-UHFFFAOYSA-N 0 3 266.316 2.303 10 0 CEAEHN C[C@H]1COC[C@]2(CCCN(Cc3ccccc3)C2)N1 ZINC000076698218 177061310 /nfs/dbraw/zinc/06/13/10/177061310.db2.gz IVHHEJJAJCUDFZ-GOEBONIOSA-N 0 3 260.381 2.030 10 0 CEAEHN CCc1ccc(OC)c(NC(=O)CNC(C)C)c1 ZINC000077432149 177268099 /nfs/dbraw/zinc/26/80/99/177268099.db2.gz SANDPMRXDGJLLJ-UHFFFAOYSA-N 0 3 250.342 2.194 10 0 CEAEHN Cc1cc(CN[C@H](C)CS(C)(=O)=O)c2ccccc2n1 ZINC000078639918 177363897 /nfs/dbraw/zinc/36/38/97/177363897.db2.gz VPRQIUVNKCKEJQ-GFCCVEGCSA-N 0 3 292.404 2.066 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCCc1ccccn1 ZINC000078677988 177369833 /nfs/dbraw/zinc/36/98/33/177369833.db2.gz OSRLALDZMFARKF-MRXNPFEDSA-N 0 3 291.439 2.497 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000175820447 287374875 /nfs/dbraw/zinc/37/48/75/287374875.db2.gz VFQGTBBTNGLRIB-UPJWGTAASA-N 0 3 267.417 2.157 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC000179592121 260056835 /nfs/dbraw/zinc/05/68/35/260056835.db2.gz UMVWJRBWNXEKRC-RISCZKNCSA-N 0 3 292.427 2.121 10 0 CEAEHN CCC[C@H](C)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000187683028 270255656 /nfs/dbraw/zinc/25/56/56/270255656.db2.gz JXZNEQMRVHFYQW-NWDGAFQWSA-N 0 3 266.389 2.245 10 0 CEAEHN COc1cccc2c1CCC[C@H]2N[C@H]1CCc2ncnn2C1 ZINC000194921808 270304594 /nfs/dbraw/zinc/30/45/94/270304594.db2.gz NEWRQXXGIROJJU-SWLSCSKDSA-N 0 3 298.390 2.269 10 0 CEAEHN O[C@@H]1CC[C@@H]2CN(Cc3ccncc3Cl)C[C@H]2C1 ZINC000398704203 270360768 /nfs/dbraw/zinc/36/07/68/270360768.db2.gz AKJTVEXCKVMJMI-RAIGVLPGSA-N 0 3 266.772 2.328 10 0 CEAEHN CC(C)CC1(CNC(=O)[C@H](N)C2CCOCC2)CCCC1 ZINC000261954391 275874729 /nfs/dbraw/zinc/87/47/29/275874729.db2.gz KJDCHOWOFRPJGY-OAHLLOKOSA-N 0 3 296.455 2.463 10 0 CEAEHN CC1(C)CCC(NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000175444794 276102208 /nfs/dbraw/zinc/10/22/08/276102208.db2.gz XRRKTTQHVZTWPT-AWEZNQCLSA-N 0 3 279.428 2.445 10 0 CEAEHN CNCC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000193143905 277264757 /nfs/dbraw/zinc/26/47/57/277264757.db2.gz KAMMHHKILDVFKB-VIFPVBQESA-N 0 3 281.425 2.452 10 0 CEAEHN CC(F)(F)CCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000334622129 278160596 /nfs/dbraw/zinc/16/05/96/278160596.db2.gz ZKEICDSYFHWQBZ-CYBMUJFWSA-N 0 3 263.328 2.302 10 0 CEAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000052270420 278285304 /nfs/dbraw/zinc/28/53/04/278285304.db2.gz VTTRMAHTHNRHDU-NRUUGDAUSA-N 0 3 253.367 2.149 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000105872291 278388395 /nfs/dbraw/zinc/38/83/95/278388395.db2.gz WDKFSRRCCVLDSE-KOLCDFICSA-N 0 3 278.306 2.222 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCS[C@@H](C)[C@H]2C)C1 ZINC000246410198 279319537 /nfs/dbraw/zinc/31/95/37/279319537.db2.gz QHXMEWHOIADAFN-AGIUHOORSA-N 0 3 285.457 2.006 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)CCC1CC1 ZINC000122040114 279776779 /nfs/dbraw/zinc/77/67/79/279776779.db2.gz JCZFYDBTKRWNEK-CQSZACIVSA-N 0 3 269.433 2.404 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCCC1 ZINC000135581417 280049821 /nfs/dbraw/zinc/04/98/21/280049821.db2.gz CBTIVFYGTODAJZ-ZDUSSCGKSA-N 0 3 253.390 2.055 10 0 CEAEHN CC[C@@H]([NH2+]C1CC(N(CC)CC(=O)[O-])C1)C1CCCC1 ZINC000263492292 280183622 /nfs/dbraw/zinc/18/36/22/280183622.db2.gz IUCRYZUFLNCSRM-YMAMQOFZSA-N 0 3 282.428 2.482 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H]3CCC[C@H]32)C1 ZINC000245678856 280255513 /nfs/dbraw/zinc/25/55/13/280255513.db2.gz GFBHZXQRXCRIQB-QLFBSQMISA-N 0 3 279.428 2.445 10 0 CEAEHN Cc1cnc(NC(=O)C[C@@H](N)c2ccccc2)s1 ZINC000019518412 281617383 /nfs/dbraw/zinc/61/73/83/281617383.db2.gz UMSYEYIAXTUZNU-LLVKDONJSA-N 0 3 261.350 2.480 10 0 CEAEHN CCCOc1ccc(CNC(=O)[C@H](CCC)N(C)C)cn1 ZINC000153644752 289118135 /nfs/dbraw/zinc/11/81/35/289118135.db2.gz JRXDWIYSAFGJNN-AWEZNQCLSA-N 0 3 293.411 2.217 10 0 CEAEHN CCC[C@H](NC[C@H](C)N1CCOCC1)c1ccccn1 ZINC000158557574 289236494 /nfs/dbraw/zinc/23/64/94/289236494.db2.gz GYDDRFSCYJGEHL-GJZGRUSLSA-N 0 3 277.412 2.233 10 0 CEAEHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccccc1N(C)C)CC2 ZINC000093944305 293543376 /nfs/dbraw/zinc/54/33/76/293543376.db2.gz JIWIPYBTWQMCHM-OCCSQVGLSA-N 0 3 299.422 2.318 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000173763169 312682966 /nfs/dbraw/zinc/68/29/66/312682966.db2.gz OCGOIAXZTVOWNA-UKRRQHHQSA-N 0 3 290.432 2.180 10 0 CEAEHN Cc1cnc(NC[C@@H]2NCCc3ccccc32)nc1C ZINC000386694994 321873065 /nfs/dbraw/zinc/87/30/65/321873065.db2.gz SMOARQMXVCDMQN-HNNXBMFYSA-N 0 3 268.364 2.392 10 0 CEAEHN CC(C)N(C)C(=O)COc1cc(F)ccc1[C@@H](C)N ZINC000062745972 519589804 /nfs/dbraw/zinc/58/98/04/519589804.db2.gz REWMMTRQCGRTGO-SNVBAGLBSA-N 0 3 268.332 2.091 10 0 CEAEHN CC(C)CCOCCn1cc(CNC(C)(C)C)nn1 ZINC000052624631 519669291 /nfs/dbraw/zinc/66/92/91/519669291.db2.gz DZTXGQNFDSJJCD-UHFFFAOYSA-N 0 3 268.405 2.229 10 0 CEAEHN CCCNCc1cc(Cl)ccc1O[C@H](CC)C(N)=O ZINC000061675739 519946709 /nfs/dbraw/zinc/94/67/09/519946709.db2.gz AWAOSCSWWBQHPX-GFCCVEGCSA-N 0 3 284.787 2.482 10 0 CEAEHN CCCN[C@](CN(C)C(C)C)(C(=O)OCC)C1CC1 ZINC000069095388 520116652 /nfs/dbraw/zinc/11/66/52/520116652.db2.gz MLSIJKCVLRDLDK-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1ccccc1CC)C(N)=O ZINC000068657444 520142038 /nfs/dbraw/zinc/14/20/38/520142038.db2.gz UYTWDOWKSQYSEL-WBMJQRKESA-N 0 3 278.396 2.260 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCC(OC)CC2)s1 ZINC000054903190 520182071 /nfs/dbraw/zinc/18/20/71/520182071.db2.gz ZDJXDVKNEDZNJM-SNVBAGLBSA-N 0 3 269.414 2.429 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1ccc(C)cc1C)C(N)=O ZINC000068655180 520235811 /nfs/dbraw/zinc/23/58/11/520235811.db2.gz VEPYQGVYFREOEV-CZUORRHYSA-N 0 3 278.396 2.314 10 0 CEAEHN CCCc1nc(N2CCC[C@@H]2CN(C)C)sc1C=O ZINC000061655552 521532608 /nfs/dbraw/zinc/53/26/08/521532608.db2.gz QNSYXTKDZMKSEB-LLVKDONJSA-N 0 3 281.425 2.439 10 0 CEAEHN CNCc1cc(CN2C[C@@H](C)OC(C)(C)C2)c(C)o1 ZINC000052543612 522108812 /nfs/dbraw/zinc/10/88/12/522108812.db2.gz WXMJDYOCBTZEFD-LLVKDONJSA-N 0 3 266.385 2.307 10 0 CEAEHN CN[C@H](Cc1cnn(C)c1)c1cc(F)cc(F)c1 ZINC000050543156 522475127 /nfs/dbraw/zinc/47/51/27/522475127.db2.gz CVUCDYSZERDYKC-CYBMUJFWSA-N 0 3 251.280 2.202 10 0 CEAEHN CN[C@H]1COc2cc(OCCOC(C)C)ccc21 ZINC000062804131 522506699 /nfs/dbraw/zinc/50/66/99/522506699.db2.gz ORPDSCZNQSVCMY-ZDUSSCGKSA-N 0 3 251.326 2.143 10 0 CEAEHN C/C=C/COc1cc(OC)ccc1CNCCOC ZINC000062733306 518517593 /nfs/dbraw/zinc/51/75/93/518517593.db2.gz CMJQTAXSJKGIQA-SNAWJCMRSA-N 0 3 265.353 2.386 10 0 CEAEHN CC(C)C[C@H](CN(C)C)Nc1ncnc(Cl)c1N ZINC000062363587 519345373 /nfs/dbraw/zinc/34/53/73/519345373.db2.gz QORJOVQCNTYROY-SECBINFHSA-N 0 3 271.796 2.100 10 0 CEAEHN CC(C)CN1CCN([C@@H](CN)c2c(F)cccc2F)CC1 ZINC000055078560 519727627 /nfs/dbraw/zinc/72/76/27/519727627.db2.gz ZYWMIKJLSUDAKR-HNNXBMFYSA-N 0 3 297.393 2.238 10 0 CEAEHN CC(C)NCc1coc(CN2CCN(CC3CC3)CC2)c1 ZINC000052372484 519729125 /nfs/dbraw/zinc/72/91/25/519729125.db2.gz KNVVYTHVSQFZLA-UHFFFAOYSA-N 0 3 291.439 2.305 10 0 CEAEHN CC(C)NCc1occc1CN1CCOC(C)(C)C1 ZINC000052481808 519730062 /nfs/dbraw/zinc/73/00/62/519730062.db2.gz WQWMNWOOSMNMHQ-UHFFFAOYSA-N 0 3 266.385 2.388 10 0 CEAEHN CC(C)N[C@@H](CCOc1cccc2ccccc21)C(N)=O ZINC000062550545 519734762 /nfs/dbraw/zinc/73/47/62/519734762.db2.gz JVEZXOGDMQTBRV-HNNXBMFYSA-N 0 3 286.375 2.461 10 0 CEAEHN CC(C)N[C@@](COC1CCC(C)CC1)(C(N)=O)C1CC1 ZINC000069196268 519737698 /nfs/dbraw/zinc/73/76/98/519737698.db2.gz IUOZERNFYWKXEB-LDZOIKDWSA-N 0 3 282.428 2.214 10 0 CEAEHN CC(C)N[C@](COC1CCC(C)CC1)(C(N)=O)C1CC1 ZINC000069196269 519740668 /nfs/dbraw/zinc/74/06/68/519740668.db2.gz IUOZERNFYWKXEB-PXCJXSSVSA-N 0 3 282.428 2.214 10 0 CEAEHN CCCN1CCN(Cc2ccoc2CNC(C)C)CC1 ZINC000052421884 519858977 /nfs/dbraw/zinc/85/89/77/519858977.db2.gz FNDQIDYAKAELEU-UHFFFAOYSA-N 0 3 279.428 2.305 10 0 CEAEHN CCC1CCN(C[C@@](NC(C)C)(C(=O)OC)C2CC2)CC1 ZINC000069183854 519859206 /nfs/dbraw/zinc/85/92/06/519859206.db2.gz PJUZLGXOISSKCT-KRWDZBQOSA-N 0 3 296.455 2.428 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000061291367 519906507 /nfs/dbraw/zinc/90/65/07/519906507.db2.gz HQOXCKBHIYIVKY-UHFFFAOYSA-N 0 3 295.770 2.161 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(OC)cc1C ZINC000061568089 519907709 /nfs/dbraw/zinc/90/77/09/519907709.db2.gz FXKFEBJYTIMOQL-UHFFFAOYSA-N 0 3 250.342 2.330 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1-n1cccn1 ZINC000061291660 519908094 /nfs/dbraw/zinc/90/80/94/519908094.db2.gz KYXJVZMLOMDJLO-UHFFFAOYSA-N 0 3 272.352 2.199 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1[C@H](C)O ZINC000061299082 519908192 /nfs/dbraw/zinc/90/81/92/519908192.db2.gz CYAHMQKYCCJJBS-JTQLQIEISA-N 0 3 250.342 2.067 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccnc1N1CCCC1 ZINC000061290566 519908248 /nfs/dbraw/zinc/90/82/48/519908248.db2.gz KSRJHKLLOFUPLR-UHFFFAOYSA-N 0 3 276.384 2.008 10 0 CEAEHN CCCNCc1cccnc1N1C[C@H](C)OC[C@@H]1C ZINC000051444230 519956844 /nfs/dbraw/zinc/95/68/44/519956844.db2.gz QAACRHUMESTXBW-STQMWFEESA-N 0 3 263.385 2.195 10 0 CEAEHN CCCN[C@@H](C)c1c(F)cccc1N1CC[C@H](O)C1 ZINC000061710658 519986458 /nfs/dbraw/zinc/98/64/58/519986458.db2.gz FZSJQBIURWONRA-RYUDHWBXSA-N 0 3 266.360 2.457 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OCCC(=O)NC ZINC000062747292 519989404 /nfs/dbraw/zinc/98/94/04/519989404.db2.gz JTESMZOYMQTJRK-NSHDSACASA-N 0 3 282.359 2.401 10 0 CEAEHN CCNCc1ccc(OC)cc1OC[C@H](O)C(F)(F)F ZINC000068877032 520000175 /nfs/dbraw/zinc/00/01/75/520000175.db2.gz RLJYBJPCJJHUQI-LBPRGKRZSA-N 0 3 293.285 2.107 10 0 CEAEHN CCCN[C@@H](c1cc(C)oc1C)[C@H]1COCCO1 ZINC000055301228 520015349 /nfs/dbraw/zinc/01/53/49/520015349.db2.gz STALXKBCUWVRMI-KGLIPLIRSA-N 0 3 253.342 2.353 10 0 CEAEHN CCCN[C@@H]1CCCc2nc(CS(C)(=O)=O)sc21 ZINC000052789311 520022077 /nfs/dbraw/zinc/02/20/77/520022077.db2.gz MHVURZODQSPLDD-SECBINFHSA-N 0 3 288.438 2.065 10 0 CEAEHN CCNCc1nc2c([nH]1)CCc1cc(OC)ccc1-2 ZINC000069236390 520023418 /nfs/dbraw/zinc/02/34/18/520023418.db2.gz CLWSVZIKOJBHRZ-UHFFFAOYSA-N 0 3 257.337 2.293 10 0 CEAEHN CCCN[C@@H]1COc2cc(O[C@H]3CCOC3)ccc21 ZINC000070072019 520029175 /nfs/dbraw/zinc/02/91/75/520029175.db2.gz ZHAHBFQGSYQIAS-GXTWGEPZSA-N 0 3 263.337 2.287 10 0 CEAEHN CCNCc1occc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000052540217 520030686 /nfs/dbraw/zinc/03/06/86/520030686.db2.gz CEJAGXKYUMOFGJ-KBPBESRZSA-N 0 3 264.369 2.142 10 0 CEAEHN CCNCc1occc1CN(CC)[C@@H](C)COC ZINC000052504825 520031255 /nfs/dbraw/zinc/03/12/55/520031255.db2.gz ABXHPYHLIDACDP-LBPRGKRZSA-N 0 3 254.374 2.246 10 0 CEAEHN CCCN[C@@](COC1CCC(C)CC1)(C(N)=O)C1CC1 ZINC000069196263 520055762 /nfs/dbraw/zinc/05/57/62/520055762.db2.gz JZWLYDIAMVHFJV-LDZOIKDWSA-N 0 3 282.428 2.215 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OC[C@H](O)COCC ZINC000069276313 520073930 /nfs/dbraw/zinc/07/39/30/520073930.db2.gz DRDMVNUEEXHREN-UONOGXRCSA-N 0 3 281.396 2.442 10 0 CEAEHN CCCN[C@H](c1ccccc1)[C@@H](C)S(C)(=O)=O ZINC000054930505 520090294 /nfs/dbraw/zinc/09/02/94/520090294.db2.gz ILUQKVBKOSXEIR-YPMHNXCESA-N 0 3 255.383 2.160 10 0 CEAEHN CCCN[C@H]1COc2cc(OCC(=O)OC(C)C)ccc21 ZINC000062804966 520097348 /nfs/dbraw/zinc/09/73/48/520097348.db2.gz RLOSKIZRWWVFDI-AWEZNQCLSA-N 0 3 293.363 2.450 10 0 CEAEHN CCN[C@@H](Cc1ccsc1)C(C)(C)S(C)(=O)=O ZINC000070129951 520106120 /nfs/dbraw/zinc/10/61/20/520106120.db2.gz APGBWSKFJRTREA-NSHDSACASA-N 0 3 275.439 2.092 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1COCCO1 ZINC000055300271 520112798 /nfs/dbraw/zinc/11/27/98/520112798.db2.gz YPSBMZJTUNNPPQ-UVBJJODRSA-N 0 3 277.364 2.076 10 0 CEAEHN CCCN[C@](COC1CCC(C)CC1)(C(N)=O)C1CC1 ZINC000069196262 520121054 /nfs/dbraw/zinc/12/10/54/520121054.db2.gz JZWLYDIAMVHFJV-PXCJXSSVSA-N 0 3 282.428 2.215 10 0 CEAEHN CCCN[C@](CN1CCC(CC)CC1)(C(=O)OC)C1CC1 ZINC000069183778 520121850 /nfs/dbraw/zinc/12/18/50/520121850.db2.gz AJEQQJBEMGOZBV-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCNc1ccc(C(=O)NC2CCN(C)CC2)cc1 ZINC000050749600 520147348 /nfs/dbraw/zinc/14/73/48/520147348.db2.gz MWKFYESOVAVVFR-UHFFFAOYSA-N 0 3 275.396 2.333 10 0 CEAEHN CCN[C@@](CSCc1ccccc1)(C(N)=O)C1CC1 ZINC000069185905 520158553 /nfs/dbraw/zinc/15/85/53/520158553.db2.gz RBMKTYDRVFDZRE-OAHLLOKOSA-N 0 3 278.421 2.163 10 0 CEAEHN CCCNc1cccc(C(=O)N(CCC)CCN(C)C)n1 ZINC000051071849 520172046 /nfs/dbraw/zinc/17/20/46/520172046.db2.gz JVPDUOGQSBWORD-UHFFFAOYSA-N 0 3 292.427 2.317 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1O[C@@H](CC)C(N)=O ZINC000061675926 520175832 /nfs/dbraw/zinc/17/58/32/520175832.db2.gz VLVSEKKNOPXZOT-YPMHNXCESA-N 0 3 264.369 2.308 10 0 CEAEHN CCCNc1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000050779264 520177434 /nfs/dbraw/zinc/17/74/34/520177434.db2.gz MDXOLLCIUCZYSF-ZDUSSCGKSA-N 0 3 287.407 2.475 10 0 CEAEHN CCN[C@H](Cc1nc(C)cs1)c1ccnn1C ZINC000069467884 520205420 /nfs/dbraw/zinc/20/54/20/520205420.db2.gz QOBCGWSUIXKEFQ-SNVBAGLBSA-N 0 3 250.371 2.078 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H]1COCCO1 ZINC000055301492 520209534 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/nfs/dbraw/zinc/87/41/05/522874105.db2.gz QGFOCMYPJMIVPH-CQSZACIVSA-N 0 3 263.293 2.376 10 0 CEAEHN CN(C[C@H]1CCCO1)[C@@H](CN)c1cccc2cccnc21 ZINC000069502614 523126492 /nfs/dbraw/zinc/12/64/92/523126492.db2.gz ZSJXIKWOSIVUJM-ZBFHGGJFSA-N 0 3 285.391 2.345 10 0 CEAEHN COC(=O)COc1ccccc1[C@H](C)N[C@@H]1C[C@@H]1C ZINC000183552540 523234315 /nfs/dbraw/zinc/23/43/15/523234315.db2.gz OFFCAAQQNPBKMT-GMXVVIOVSA-N 0 3 263.337 2.297 10 0 CEAEHN COCCCN(CCNc1ccc(C)cc1)CCOC ZINC000053434653 523241413 /nfs/dbraw/zinc/24/14/13/523241413.db2.gz BUZPEELAKHNBBC-UHFFFAOYSA-N 0 3 280.412 2.392 10 0 CEAEHN CN(Cc1ccc(F)cc1)Cc1ccnc(C(=N)N)c1 ZINC000068761315 523254289 /nfs/dbraw/zinc/25/42/89/523254289.db2.gz UTKCYVDMOBRXII-UHFFFAOYSA-N 0 3 272.327 2.137 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1ccc(F)c(C)c1 ZINC000050546118 523334560 /nfs/dbraw/zinc/33/45/60/523334560.db2.gz RVAJWVWVFSSSJI-ZFWWWQNUSA-N 0 3 266.360 2.245 10 0 CEAEHN CC[C@@H]1CN(c2nc(C)c([C@@H](C)N)s2)CCO1 ZINC000054895614 523473125 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/nfs/dbraw/zinc/74/63/15/523746315.db2.gz AIRLBAYHVJCTHK-ZDUSSCGKSA-N 0 3 289.379 2.423 10 0 CEAEHN CC[C@H](C)CN(C)c1ncc(CNCCOC)s1 ZINC000054903125 523871846 /nfs/dbraw/zinc/87/18/46/523871846.db2.gz ONJORWHYMWESSU-NSHDSACASA-N 0 3 271.430 2.361 10 0 CEAEHN COCCNC[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000055033595 523946081 /nfs/dbraw/zinc/94/60/81/523946081.db2.gz CDNQRVBFJORNNF-LBPRGKRZSA-N 0 3 277.286 2.149 10 0 CEAEHN COCCNCc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000062738572 523950977 /nfs/dbraw/zinc/95/09/77/523950977.db2.gz RQRYVKVWTDDZOT-UHFFFAOYSA-N 0 3 277.343 2.364 10 0 CEAEHN COCCNCc1ccc(-n2cnc(C)c2C)cc1 ZINC000062738913 523952028 /nfs/dbraw/zinc/95/20/28/523952028.db2.gz LZTWPVRUXUZQIP-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H](CN)c2ccc(C)s2)CC1 ZINC000055063802 523957835 /nfs/dbraw/zinc/95/78/35/523957835.db2.gz HEJACUXUUVTISX-JSGCOSHPSA-N 0 3 281.469 2.472 10 0 CEAEHN CC[C@H](C)N[C@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503200 524006049 /nfs/dbraw/zinc/00/60/49/524006049.db2.gz KTUWABCOQNARLR-HZMBPMFUSA-N 0 3 257.337 2.149 10 0 CEAEHN CCc1cccc(C)c1NC(=O)c1ccnc(NN)c1 ZINC000051089121 524065795 /nfs/dbraw/zinc/06/57/95/524065795.db2.gz YIRLAWKTKDQJJJ-UHFFFAOYSA-N 0 3 270.336 2.490 10 0 CEAEHN CCc1cccc(C)c1NC(=O)c1cc[nH]c(=NN)c1 ZINC000051089121 524065797 /nfs/dbraw/zinc/06/57/97/524065797.db2.gz YIRLAWKTKDQJJJ-UHFFFAOYSA-N 0 3 270.336 2.490 10 0 CEAEHN CNC(=O)[C@H](CC(C)C)NCc1ccc(F)c(C)c1 ZINC000050545504 524101684 /nfs/dbraw/zinc/10/16/84/524101684.db2.gz YMIIJZSBLAYCLM-AWEZNQCLSA-N 0 3 266.360 2.384 10 0 CEAEHN Cc1ccc(C)c(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)c1 ZINC000068655929 524183942 /nfs/dbraw/zinc/18/39/42/524183942.db2.gz KVOIQQWNAIOPAI-GUYCJALGSA-N 0 3 290.407 2.457 10 0 CEAEHN COc1ccc(Cl)cc1[C@@]([O-])(C[NH3+])C(F)(F)F ZINC000062784391 524254404 /nfs/dbraw/zinc/25/44/04/524254404.db2.gz XOFLPRPCOWUOHH-VIFPVBQESA-N 0 3 269.650 2.057 10 0 CEAEHN COc1ccc(Cl)cc1[C@@](O)(CN)C(F)(F)F ZINC000062784391 524254410 /nfs/dbraw/zinc/25/44/10/524254410.db2.gz XOFLPRPCOWUOHH-VIFPVBQESA-N 0 3 269.650 2.057 10 0 CEAEHN Cc1cc(C)c(NS(=O)(=O)C[C@@H]2CCCCN2)c(C)c1 ZINC000049630606 524306901 /nfs/dbraw/zinc/30/69/01/524306901.db2.gz RLGDONINZLNPSE-AWEZNQCLSA-N 0 3 296.436 2.496 10 0 CEAEHN C[C@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2ccccc2)O1 ZINC000151038717 524328729 /nfs/dbraw/zinc/32/87/29/524328729.db2.gz UMHBTCXHENZIPU-HOCLYGCPSA-N 0 3 290.407 2.144 10 0 CEAEHN C[C@H](CN1CCCCC1)NCC(=O)Nc1ccc(F)cc1 ZINC000049501825 524331576 /nfs/dbraw/zinc/33/15/76/524331576.db2.gz YENSYQNYUXEZPD-CYBMUJFWSA-N 0 3 293.386 2.228 10 0 CEAEHN COc1ccc(N)c(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000063209465 524374551 /nfs/dbraw/zinc/37/45/51/524374551.db2.gz BASXLRUZXDAOEV-TUAOUCFPSA-N 0 3 291.395 2.477 10 0 CEAEHN Cc1cccc(CSCC[C@@H](NC(C)C)C(N)=O)c1 ZINC000062604129 524460828 /nfs/dbraw/zinc/46/08/28/524460828.db2.gz ZDMGDBOCKPOHET-CQSZACIVSA-N 0 3 280.437 2.470 10 0 CEAEHN Cc1cccc(N(C)C[C@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069231393 524519749 /nfs/dbraw/zinc/51/97/49/524519749.db2.gz TZKRFLQNMZCRAL-QGZVFWFLSA-N 0 3 289.423 2.063 10 0 CEAEHN Cc1cccc(N2CCN(c3ncc(CN)s3)CC2)c1 ZINC000054864530 524563049 /nfs/dbraw/zinc/56/30/49/524563049.db2.gz HVSBOXOLADXVCU-UHFFFAOYSA-N 0 3 288.420 2.237 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1cc2cc(N)ccc2o1 ZINC000049149181 524590359 /nfs/dbraw/zinc/59/03/59/524590359.db2.gz WEMQILWSWGQAQG-NSHDSACASA-N 0 3 287.363 2.229 10 0 CEAEHN COc1ccccc1NC(=O)[C@@H](CN)c1ccccc1 ZINC000061610658 524619080 /nfs/dbraw/zinc/61/90/80/524619080.db2.gz YXAZLJYKGDPTDT-ZDUSSCGKSA-N 0 3 270.332 2.376 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(N)=O)Oc1ccc(F)c(F)c1 ZINC000068657725 524632845 /nfs/dbraw/zinc/63/28/45/524632845.db2.gz MSPROTYQKUGWCR-RFAUZJTJSA-N 0 3 298.333 2.118 10 0 CEAEHN C[C@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@H+](C)CC1CCCC1 ZINC000068646971 524654732 /nfs/dbraw/zinc/65/47/32/524654732.db2.gz XIZOQHBEXLMYRX-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@@H+](C)CC1CCCC1 ZINC000068646971 524654738 /nfs/dbraw/zinc/65/47/38/524654738.db2.gz XIZOQHBEXLMYRX-WBMJQRKESA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccccc1Br ZINC000069132596 524699241 /nfs/dbraw/zinc/69/92/41/524699241.db2.gz QIVHCDGOUQKJSN-UWVGGRQHSA-N 0 3 297.196 2.272 10 0 CEAEHN C[C@@H](CNc1nc(Cl)nc(Cl)n1)N1CCCCC1 ZINC000061519027 524759118 /nfs/dbraw/zinc/75/91/18/524759118.db2.gz GNMSCKRVKCPRJK-QMMMGPOBSA-N 0 3 290.198 2.465 10 0 CEAEHN Cc1cc(C[C@H](CN)C(=O)NC(C)(C)C)ccc1F ZINC000050544418 524835663 /nfs/dbraw/zinc/83/56/63/524835663.db2.gz SBWHBPYTIJSVAI-GFCCVEGCSA-N 0 3 266.360 2.166 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc2c(s1)CCCC2 ZINC000069133098 525097186 /nfs/dbraw/zinc/09/71/86/525097186.db2.gz NLFZNFYYYJUSQS-GHMZBOCLSA-N 0 3 278.421 2.449 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccsc1 ZINC000061366130 525132402 /nfs/dbraw/zinc/13/24/02/525132402.db2.gz SOFZMTOLWIDELJ-HZMBPMFUSA-N 0 3 290.388 2.201 10 0 CEAEHN Cc1ccccc1N(C)Cc1ccnc(C(=N)N)c1 ZINC000068761783 525215271 /nfs/dbraw/zinc/21/52/71/525215271.db2.gz GYJKJMZTIPEPHO-UHFFFAOYSA-N 0 3 254.337 2.310 10 0 CEAEHN C[C@@H](NC(=O)[C@H](CN)c1ccccc1)c1ccco1 ZINC000061611354 525287244 /nfs/dbraw/zinc/28/72/44/525287244.db2.gz GYOXJQQWMUJFMH-DGCLKSJQSA-N 0 3 258.321 2.199 10 0 CEAEHN COc1ccc([C@H](C)CN2CCO[C@H](CN(C)C)C2)cc1 ZINC000183399632 525295976 /nfs/dbraw/zinc/29/59/76/525295976.db2.gz BAMSMBCUNKWGRD-RHSMWYFYSA-N 0 3 292.423 2.061 10 0 CEAEHN Cc1ccccc1O[C@@H](C)C[C@](C)(NC1CC1)C(N)=O ZINC000068656318 525321982 /nfs/dbraw/zinc/32/19/82/525321982.db2.gz GRGNGLZXZNKWCA-LRDDRELGSA-N 0 3 276.380 2.148 10 0 CEAEHN C[C@@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccn1 ZINC000156655228 525335978 /nfs/dbraw/zinc/33/59/78/525335978.db2.gz LHOAVMNJMZEAPB-LLVKDONJSA-N 0 3 267.332 2.176 10 0 CEAEHN C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCCO1 ZINC000155681248 525342050 /nfs/dbraw/zinc/34/20/50/525342050.db2.gz DCVOZIHWHXEPNB-IUODEOHRSA-N 0 3 276.380 2.046 10 0 CEAEHN C[C@@H]1C[C@H]1NCc1ccc(I)o1 ZINC000052274105 525498312 /nfs/dbraw/zinc/49/83/12/525498312.db2.gz URDGYIVMVUAHSL-HTRCEHHLSA-N 0 3 277.105 2.382 10 0 CEAEHN C[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000187120148 525529096 /nfs/dbraw/zinc/52/90/96/525529096.db2.gz DETIXCOIQLONJW-WBMJQRKESA-N 0 3 288.391 2.253 10 0 CEAEHN CSCC[C@H](N)C(=O)NCC(C)(C)C1CCCC1 ZINC000157977134 525580997 /nfs/dbraw/zinc/58/09/97/525580997.db2.gz LGYPEWUEVMDTMQ-LBPRGKRZSA-N 0 3 272.458 2.399 10 0 CEAEHN COc1ccc2cc(CN(CCO)C(C)C)c(N)nc2c1 ZINC000050817908 525625460 /nfs/dbraw/zinc/62/54/60/525625460.db2.gz XPWWMJOVMBXANU-UHFFFAOYSA-N 0 3 289.379 2.028 10 0 CEAEHN C[C@@H]1[C@@H](C)CCCN1Cc1ccnc(C(N)=S)c1 ZINC000068752746 525641743 /nfs/dbraw/zinc/64/17/43/525641743.db2.gz LTOWDWLDMXDDQB-WDEREUQCSA-N 0 3 263.410 2.336 10 0 CEAEHN Cc1ccc([C@@H]([C@H](C)N)N(CCO)Cc2ccccc2)o1 ZINC000050513891 525785949 /nfs/dbraw/zinc/78/59/49/525785949.db2.gz RJKZVAIBTGAKOT-WMLDXEAASA-N 0 3 288.391 2.471 10 0 CEAEHN C[C@H](O)c1ccccc1NC(=O)[C@H](CN)c1ccccc1 ZINC000061612922 525861054 /nfs/dbraw/zinc/86/10/54/525861054.db2.gz PPCMMHGMDMXCGK-SWLSCSKDSA-N 0 3 284.359 2.421 10 0 CEAEHN Cc1ccsc1[C@H]1[C@H](N)CC(=O)N1CC(C)C ZINC000070294320 525898737 /nfs/dbraw/zinc/89/87/37/525898737.db2.gz NEMKUJBKSJZMLR-ZYHUDNBSSA-N 0 3 252.383 2.313 10 0 CEAEHN COc1cccc(COc2cccc(F)c2CN)n1 ZINC000070092856 526062088 /nfs/dbraw/zinc/06/20/88/526062088.db2.gz ISHCXEZKLCOUKA-UHFFFAOYSA-N 0 3 262.284 2.267 10 0 CEAEHN COc1cccc(N(C)Cc2ccnc(CN)c2)c1 ZINC000068750369 526132554 /nfs/dbraw/zinc/13/25/54/526132554.db2.gz URHQFDGXCGCCML-UHFFFAOYSA-N 0 3 257.337 2.185 10 0 CEAEHN C[C@H](c1ccncc1)N(C)C(=O)[C@@H](CN)c1ccccc1 ZINC000061612216 526156788 /nfs/dbraw/zinc/15/67/88/526156788.db2.gz YBHYOIOHQMTMTD-CJNGLKHVSA-N 0 3 283.375 2.344 10 0 CEAEHN C[C@H](CC(N)=O)C[C@@H](N)c1cc2c(cc1Cl)OCCO2 ZINC000061830305 526259665 /nfs/dbraw/zinc/25/96/65/526259665.db2.gz GTULHUXXLYLIED-GZMMTYOYSA-N 0 3 298.770 2.013 10 0 CEAEHN Cc1cnn(CCN[C@H](C)c2cccc(CO)c2)c1 ZINC000183285109 526263638 /nfs/dbraw/zinc/26/36/38/526263638.db2.gz DMDQYWYESIGJAY-CYBMUJFWSA-N 0 3 259.353 2.035 10 0 CEAEHN N=C(N)c1cc(COc2ccc3c(c2)CCC3)ccn1 ZINC000068762473 526819575 /nfs/dbraw/zinc/81/95/75/526819575.db2.gz RQCXDGKVGXJWGW-UHFFFAOYSA-N 0 3 267.332 2.433 10 0 CEAEHN Cc1sc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc1N ZINC000049551038 526873457 /nfs/dbraw/zinc/87/34/57/526873457.db2.gz DNCJCZQRWKJYOD-NSHDSACASA-N 0 3 283.441 2.345 10 0 CEAEHN Cc1sc(C(=O)N[C@H](C)CN2CCCCC2)cc1N ZINC000049500550 526874082 /nfs/dbraw/zinc/87/40/82/526874082.db2.gz TVUYOFRSWRSHHF-SNVBAGLBSA-N 0 3 281.425 2.243 10 0 CEAEHN Cc1nc(Cl)cc(OCCN2CCCCC2)n1 ZINC000052835301 526935486 /nfs/dbraw/zinc/93/54/86/526935486.db2.gz JRKUDOAAQDDWRX-UHFFFAOYSA-N 0 3 255.749 2.303 10 0 CEAEHN Cc1nc(N2CCSCC2)sc1CNC1CC1 ZINC000054996161 526972502 /nfs/dbraw/zinc/97/25/02/526972502.db2.gz QNAHDXSAWDTKEZ-UHFFFAOYSA-N 0 3 269.439 2.257 10 0 CEAEHN NC[C@@H](Oc1cccc(F)c1F)c1ccccn1 ZINC000062612100 527205591 /nfs/dbraw/zinc/20/55/91/527205591.db2.gz MHSIHYOUUUJXGM-GFCCVEGCSA-N 0 3 250.248 2.439 10 0 CEAEHN [NH3+]C[C@]([O-])(c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000062784401 527241801 /nfs/dbraw/zinc/24/18/01/527241801.db2.gz KYQKCVVVHSSPNZ-QMMMGPOBSA-N 0 3 289.175 2.294 10 0 CEAEHN NC[C@](O)(c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000062784401 527241804 /nfs/dbraw/zinc/24/18/04/527241804.db2.gz KYQKCVVVHSSPNZ-QMMMGPOBSA-N 0 3 289.175 2.294 10 0 CEAEHN NCc1cc(Cl)ccc1Sc1nnnn1C1CC1 ZINC000052858716 527248894 /nfs/dbraw/zinc/24/88/94/527248894.db2.gz COSXNVMETONTDI-UHFFFAOYSA-N 0 3 281.772 2.271 10 0 CEAEHN NCc1cc2ccccc2nc1N1CCC[C@H]1CCCO ZINC000052761681 527250947 /nfs/dbraw/zinc/25/09/47/527250947.db2.gz BSNDBMFIGKRVMW-HNNXBMFYSA-N 0 3 285.391 2.435 10 0 CEAEHN O=C(Cc1cccc(O)c1)Nc1ccc2c(c1)CNCC2 ZINC000069052655 527270017 /nfs/dbraw/zinc/27/00/17/527270017.db2.gz IRMRWURCMHWQEK-UHFFFAOYSA-N 0 3 282.343 2.219 10 0 CEAEHN Cn1cc([C@@H](N)C2(c3ccccc3)CCOCC2)cn1 ZINC000062783646 527292675 /nfs/dbraw/zinc/29/26/75/527292675.db2.gz OSHKEDNCOTUQHG-OAHLLOKOSA-N 0 3 271.364 2.168 10 0 CEAEHN N[C@@H]1CCN(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000049648350 527364498 /nfs/dbraw/zinc/36/44/98/527364498.db2.gz DNSPMAILVIUGIM-MRVPVSSYSA-N 0 3 278.661 2.423 10 0 CEAEHN Nc1cnccc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702180 527537065 /nfs/dbraw/zinc/53/70/65/527537065.db2.gz GKPBAABOMJNBEY-AWEZNQCLSA-N 0 3 269.348 2.317 10 0 CEAEHN OCCn1cc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000068691066 527576482 /nfs/dbraw/zinc/57/64/82/527576482.db2.gz XPCSPBURWFMRCK-NWDGAFQWSA-N 0 3 291.317 2.086 10 0 CEAEHN O[C@@H]1CCN(c2nc3ccccc3cc2CNC2CC2)C1 ZINC000061711214 527675220 /nfs/dbraw/zinc/67/52/20/527675220.db2.gz TYURBWLZUPDVEK-OAHLLOKOSA-N 0 3 283.375 2.058 10 0 CEAEHN Cc1nn(C)c(N2C[C@@H](C)O[C@@H](C)C2)c1CNCC(C)C ZINC000062734260 527676372 /nfs/dbraw/zinc/67/63/72/527676372.db2.gz CLZKAMWOHBKEGK-BETUJISGSA-N 0 3 294.443 2.088 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC1(C)CCC1 ZINC000177413461 528291311 /nfs/dbraw/zinc/29/13/11/528291311.db2.gz FUYFQWYCHFQHSI-ZDUSSCGKSA-N 0 3 269.433 2.452 10 0 CEAEHN CCN1CCC[C@@H](Nc2cc(OC(C)C)ncn2)C1 ZINC000090793271 529059309 /nfs/dbraw/zinc/05/93/09/529059309.db2.gz MIJQUCHLHOJJFR-GFCCVEGCSA-N 0 3 264.373 2.160 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000174233582 529086956 /nfs/dbraw/zinc/08/69/56/529086956.db2.gz KSRMWSUPDTWUMK-JSGCOSHPSA-N 0 3 279.428 2.443 10 0 CEAEHN C[C@@H](O)[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757136018 574510124 /nfs/dbraw/zinc/51/01/24/574510124.db2.gz XYBHCVUAVYFMHS-WDEREUQCSA-N 0 3 295.383 2.051 10 0 CEAEHN CC(C)[C@H]1O[C@@]2(CN3CCC2CC3)NCC1(C)C ZINC000757143261 574510281 /nfs/dbraw/zinc/51/02/81/574510281.db2.gz MKWJVAXFVNOIMF-UKRRQHHQSA-N 0 3 252.402 2.079 10 0 CEAEHN N[C@H](CC1CC1)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000311351328 627642504 /nfs/dbraw/zinc/64/25/04/627642504.db2.gz LZOQBZDPXCTVFH-VQXHTEKXSA-N 0 3 278.318 2.351 10 0 CEAEHN CCC[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])[NH+](C)C ZINC000910981396 638210568 /nfs/dbraw/zinc/21/05/68/638210568.db2.gz ARMKHUZWOBJDLS-LLVKDONJSA-N 0 3 272.295 2.339 10 0 CEAEHN CCCN1CCN(c2cncc3cccnc32)CC1 ZINC000223141192 639414811 /nfs/dbraw/zinc/41/48/11/639414811.db2.gz IIIFHWLNDGMUIV-UHFFFAOYSA-N 0 3 256.353 2.162 10 0 CEAEHN CN(C)C[C@H](NC(=O)OCC1CC1)c1ccccc1 ZINC000184320188 641853438 /nfs/dbraw/zinc/85/34/38/641853438.db2.gz CBWHVYOBNVXLGZ-AWEZNQCLSA-N 0 3 262.353 2.426 10 0 CEAEHN Nc1cc(Cl)nc(N2CCN(C3CCCC3)CC2)c1 ZINC000228877250 721855062 /nfs/dbraw/zinc/85/50/62/721855062.db2.gz VPDBAQXIAXVWRZ-UHFFFAOYSA-N 0 3 280.803 2.382 10 0 CEAEHN CCc1ncsc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000124342037 187133196 /nfs/dbraw/zinc/13/31/96/187133196.db2.gz ANZWTFFVAMWBEN-JQWIXIFHSA-N 0 3 281.425 2.164 10 0 CEAEHN CC(C)c1nc(N2CCN(C)CC2)sc1CNC1CC1 ZINC000082434893 178012260 /nfs/dbraw/zinc/01/22/60/178012260.db2.gz JDHYSZAIXYDCSD-UHFFFAOYSA-N 0 3 294.468 2.270 10 0 CEAEHN N[C@H](Cc1ncc[nH]1)c1sccc1Br ZINC000082613855 178126338 /nfs/dbraw/zinc/12/63/38/178126338.db2.gz VPKSVPJUUAPVIL-SSDOTTSWSA-N 0 3 272.171 2.476 10 0 CEAEHN NCc1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000082661952 178150012 /nfs/dbraw/zinc/15/00/12/178150012.db2.gz SKXLCKRQEFJOEQ-UHFFFAOYSA-N 0 3 259.206 2.489 10 0 CEAEHN C[S@@](=O)C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000082755576 178278706 /nfs/dbraw/zinc/27/87/06/178278706.db2.gz HYCWZCBZCYHBHZ-ABKXIKBNSA-N 0 3 251.273 2.084 10 0 CEAEHN CC[C@](C)(O)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000123454741 365638649 /nfs/dbraw/zinc/63/86/49/365638649.db2.gz JQTDOVKSIZYGGO-AWEZNQCLSA-N 0 3 283.803 2.018 10 0 CEAEHN CN(C)C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000132683662 282128192 /nfs/dbraw/zinc/12/81/92/282128192.db2.gz FOFWBDAMACBYAP-NVXWUHKLSA-N 0 3 292.398 2.466 10 0 CEAEHN CCC1(CN2CCOC3(CCC3)C2)CCOCC1 ZINC000336588485 365684721 /nfs/dbraw/zinc/68/47/21/365684721.db2.gz PZDLWSDCMGPIBH-UHFFFAOYSA-N 0 3 253.386 2.448 10 0 CEAEHN CC(C)(C)OC(=O)N1CCNCC[C@@H]1C(F)(F)F ZINC000096898202 185125501 /nfs/dbraw/zinc/12/55/01/185125501.db2.gz PCVXHTLYWCBKCF-MRVPVSSYSA-N 0 3 268.279 2.148 10 0 CEAEHN CCC[C@@H](N)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000036873115 361866686 /nfs/dbraw/zinc/86/66/86/361866686.db2.gz QJHUINHBDZSVEP-OAHLLOKOSA-N 0 3 289.423 2.079 10 0 CEAEHN CCOc1ccccc1[C@H](C)NCCC(=O)OC ZINC000036891736 361867632 /nfs/dbraw/zinc/86/76/32/361867632.db2.gz VEOIHSUYFGDESZ-NSHDSACASA-N 0 3 251.326 2.299 10 0 CEAEHN COc1ccc(CN[C@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000037164316 361902401 /nfs/dbraw/zinc/90/24/01/361902401.db2.gz KARMEDYDRYSAGM-STQMWFEESA-N 0 3 265.353 2.097 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1nccnc1C ZINC000621718982 349676795 /nfs/dbraw/zinc/67/67/95/349676795.db2.gz YXZHBINTGBMVQZ-GJZGRUSLSA-N 0 3 274.412 2.234 10 0 CEAEHN Cc1c2c(ccc1Br)[C@]1(C[C@H]1N)CN2 ZINC000725246947 539192005 /nfs/dbraw/zinc/19/20/05/539192005.db2.gz BJXBOTUXDXXZIH-KOLCDFICSA-N 0 3 253.143 2.152 10 0 CEAEHN CO[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1c1c[nH]nn1 ZINC000668579074 539203417 /nfs/dbraw/zinc/20/34/17/539203417.db2.gz QIFVDDQQAUKXAW-DOTOQJQBSA-N 0 3 298.390 2.297 10 0 CEAEHN CCOC(=O)C1C(=O)Nc2c1cc(Br)cc2C ZINC000725255572 539201481 /nfs/dbraw/zinc/20/14/81/539201481.db2.gz DYBGQFLVZMASJW-SECBINFHSA-N 0 3 298.136 2.356 10 0 CEAEHN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc2c1CCNC2 ZINC000300587390 539279005 /nfs/dbraw/zinc/27/90/05/539279005.db2.gz PYHVGDZVNHWXHG-ABAIWWIYSA-N 0 3 258.365 2.251 10 0 CEAEHN COc1cc(OC)cc(-c2ncc(CN)s2)c1 ZINC000040996822 362011165 /nfs/dbraw/zinc/01/11/65/362011165.db2.gz SVSFNNHJMSNYRB-UHFFFAOYSA-N 0 3 250.323 2.286 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000037798716 343430814 /nfs/dbraw/zinc/43/08/14/343430814.db2.gz DHKBQPIQHSRKNH-IAQYHMDHSA-N 0 3 294.395 2.036 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000037803944 343431387 /nfs/dbraw/zinc/43/13/87/343431387.db2.gz CMKLLOJFTNFESF-MEDUHNTESA-N 0 3 285.391 2.426 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000048322738 362254809 /nfs/dbraw/zinc/25/48/09/362254809.db2.gz FPMUCNWFHFWQHT-ZCFIWIBFSA-N 0 3 278.686 2.488 10 0 CEAEHN COc1cc2c(cc1CNC[C@@H]1CCC[C@@H]1O)O[C@@H](C)C2 ZINC000097604816 344245838 /nfs/dbraw/zinc/24/58/38/344245838.db2.gz WLJQSDCFEJOEEE-HUBLWGQQSA-N 0 3 291.391 2.269 10 0 CEAEHN C[C@H](NC(=O)NC[C@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000139232597 344393013 /nfs/dbraw/zinc/39/30/13/344393013.db2.gz RDPZKXDYIINIOF-CMPLNLGQSA-N 0 3 297.349 2.419 10 0 CEAEHN CC(C)C(=O)Nc1cc(C2CC[NH2+]CC2)ccc1[O-] ZINC000148812950 344414570 /nfs/dbraw/zinc/41/45/70/344414570.db2.gz AYXHZCOKAIGLCR-UHFFFAOYSA-N 0 3 262.353 2.454 10 0 CEAEHN CN(C)[C@H](CN)c1ccc(Br)c(F)c1 ZINC000161345184 344463482 /nfs/dbraw/zinc/46/34/82/344463482.db2.gz LCEXQKHCKADNNU-SNVBAGLBSA-N 0 3 261.138 2.150 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)[C@@H]1C ZINC000170862014 344491680 /nfs/dbraw/zinc/49/16/80/344491680.db2.gz OMZLWICSKRVVHU-MQYQWHSLSA-N 0 3 267.417 2.157 10 0 CEAEHN COC(=O)[C@@H](C)CN(C)Cc1ccc2ccccc2n1 ZINC000050068927 362398473 /nfs/dbraw/zinc/39/84/73/362398473.db2.gz XVMYKXMRFDAVJN-LBPRGKRZSA-N 0 3 272.348 2.476 10 0 CEAEHN O[C@H](CN1CCC(O)CC1)c1cccc(C(F)(F)F)c1 ZINC000051590131 362432552 /nfs/dbraw/zinc/43/25/52/362432552.db2.gz BMTBHPOZDWZHET-CYBMUJFWSA-N 0 3 289.297 2.196 10 0 CEAEHN C[C@H](N[C@@H]1CCCNC1=O)c1cccc(Cl)c1 ZINC000050394233 362417832 /nfs/dbraw/zinc/41/78/32/362417832.db2.gz NQQGHRBYMMGCFK-JOYOIKCWSA-N 0 3 252.745 2.269 10 0 CEAEHN CN(C(=O)CN1CCC[C@H]1CCCO)C1CCCCC1 ZINC000052762716 362473319 /nfs/dbraw/zinc/47/33/19/362473319.db2.gz ZMZMYAPDZDBGKB-HNNXBMFYSA-N 0 3 282.428 2.014 10 0 CEAEHN NCc1cc(Br)cnc1OC(F)(F)F ZINC000238630422 344607117 /nfs/dbraw/zinc/60/71/17/344607117.db2.gz MWLJUFNDSSIDNQ-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN COC(=O)c1csc(CN[C@H](C)[C@@H]2CCCO2)c1 ZINC000602510025 347061932 /nfs/dbraw/zinc/06/19/32/347061932.db2.gz IJZCSIIFGHGRBV-SKDRFNHKSA-N 0 3 269.366 2.192 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000248502546 344623213 /nfs/dbraw/zinc/62/32/13/344623213.db2.gz ZNXGNRVVFZBMQU-MNOVXSKESA-N 0 3 283.334 2.437 10 0 CEAEHN CCc1nnc(CN[C@H]2[C@H](C)CCC[C@@H]2C)n1C ZINC000248540099 344623235 /nfs/dbraw/zinc/62/32/35/344623235.db2.gz BBUYUJBONCLWTI-YABSGUDNSA-N 0 3 250.390 2.292 10 0 CEAEHN C[C@]1(C(=O)NC[C@@H]2CC3CCC2CC3)CCCCN1 ZINC000400130400 344860919 /nfs/dbraw/zinc/86/09/19/344860919.db2.gz URPTWMSWWCDTDV-VKJZCYHPSA-N 0 3 264.413 2.461 10 0 CEAEHN NC(=O)[C@H](N)CCSc1ccc(Cl)c(Cl)c1 ZINC000083867613 178755301 /nfs/dbraw/zinc/75/53/01/178755301.db2.gz YFGNRTBREFSFPR-SECBINFHSA-N 0 3 279.192 2.288 10 0 CEAEHN CN(C)CC[C@]1(O)c2ccccc2Oc2cccnc21 ZINC000584615753 344965726 /nfs/dbraw/zinc/96/57/26/344965726.db2.gz RBTZHSVPFKABPO-INIZCTEOSA-N 0 3 270.332 2.375 10 0 CEAEHN OC[C@]1(C[C@@H]2CO2)CCCN(Cc2ccccc2)C1 ZINC000584882608 344996195 /nfs/dbraw/zinc/99/61/95/344996195.db2.gz RGFAXADQLOUVQL-CVEARBPZSA-N 0 3 261.365 2.050 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000054074039 362508672 /nfs/dbraw/zinc/50/86/72/362508672.db2.gz RYFWPVXHFDAGCX-RKDXNWHRSA-N 0 3 272.295 2.073 10 0 CEAEHN CN[C@](C)(C[C@H](C)SCC1CCCC1)C(N)=O ZINC000084354252 178866169 /nfs/dbraw/zinc/86/61/69/178866169.db2.gz JRQJRXUTJCVBOG-GXFFZTMASA-N 0 3 258.431 2.152 10 0 CEAEHN C[C@@H](C[C@](C)(N)C(N)=O)S[C@@H]1CCC[C@@H](C)C1 ZINC000084352798 178864897 /nfs/dbraw/zinc/86/48/97/178864897.db2.gz XWHMXDJVZVSGEZ-XZUYRWCXSA-N 0 3 258.431 2.280 10 0 CEAEHN CCOC(=O)CC1(N2CCOCC2)C[C@@H](C)C[C@H](C)C1 ZINC000084474799 178893947 /nfs/dbraw/zinc/89/39/47/178893947.db2.gz DOQTVZBMGLNOSV-KBPBESRZSA-N 0 3 283.412 2.467 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCSCCCO)c1C ZINC000151235564 232216146 /nfs/dbraw/zinc/21/61/46/232216146.db2.gz XSLXDNSLSKODEH-NSHDSACASA-N 0 3 285.457 2.286 10 0 CEAEHN CCn1nc(C)c(Cl)c1C[C@H](NC)c1cc(C)nn1C ZINC000097276646 185576324 /nfs/dbraw/zinc/57/63/24/185576324.db2.gz GJGDYKKKEXVYLF-NSHDSACASA-N 0 3 295.818 2.410 10 0 CEAEHN Cc1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)s1 ZINC000175779198 232318217 /nfs/dbraw/zinc/31/82/17/232318217.db2.gz AYWIERAHPMGVSM-LBPRGKRZSA-N 0 3 297.424 2.025 10 0 CEAEHN CCN(CC)C(C)(C)[C@H](Cc1ccccc1F)NN ZINC000097580771 185630027 /nfs/dbraw/zinc/63/00/27/185630027.db2.gz MELCMCSGJGVTTC-AWEZNQCLSA-N 0 3 267.392 2.321 10 0 CEAEHN CCN(CC)[C@](C)(CC)[C@H](NN)c1cncc(F)c1 ZINC000097584050 185630767 /nfs/dbraw/zinc/63/07/67/185630767.db2.gz DDKSJQZQOKJHOJ-ZIAGYGMSSA-N 0 3 268.380 2.236 10 0 CEAEHN COC[C@H](C)N(C)[C@@H](CN)c1cc2ccccc2o1 ZINC000068811579 522594994 /nfs/dbraw/zinc/59/49/94/522594994.db2.gz OOKQXEAXAVBACQ-AAEUAGOBSA-N 0 3 262.353 2.399 10 0 CEAEHN NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000061609858 362683893 /nfs/dbraw/zinc/68/38/93/362683893.db2.gz BLOYETQUKLPQOU-HNNXBMFYSA-N 0 3 255.317 2.472 10 0 CEAEHN C[C@@H]1CN[C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085504492 179084966 /nfs/dbraw/zinc/08/49/66/179084966.db2.gz GSXIUFRJFIRBJM-HIFRSBDPSA-N 0 3 268.364 2.012 10 0 CEAEHN Cn1cc(CN2C[C@@H](c3ccccc3)NCC2(C)C)cn1 ZINC000085507712 179085923 /nfs/dbraw/zinc/08/59/23/179085923.db2.gz JUOJHAIPNXDHIY-INIZCTEOSA-N 0 3 284.407 2.345 10 0 CEAEHN CC(C)Cc1ccc([C@@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020031 179217640 /nfs/dbraw/zinc/21/76/40/179217640.db2.gz IAQWRDAWBZFLLY-HUUCEWRRSA-N 0 3 281.421 2.320 10 0 CEAEHN O=C(CNC[C@@H]1CCCC[C@H]1O)Nc1c(F)cccc1F ZINC000085986711 179212276 /nfs/dbraw/zinc/21/22/76/179212276.db2.gz IFHWSBJYXWQYDL-GXFFZTMASA-N 0 3 298.333 2.044 10 0 CEAEHN CCN[C@@H](c1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086020887 179218005 /nfs/dbraw/zinc/21/80/05/179218005.db2.gz AVKZIIHLEGRHCL-ZYHUDNBSSA-N 0 3 273.423 2.142 10 0 CEAEHN Cc1cc(C)c(C)c([C@@H](N)[C@H]2CCS(=O)(=O)C2)c1C ZINC000086019957 179218096 /nfs/dbraw/zinc/21/80/96/179218096.db2.gz QSJLASFSZAKFBG-ZFWWWQNUSA-N 0 3 281.421 2.355 10 0 CEAEHN CCc1oc2ccccc2c1[C@@H](N)[C@@H]1CCS(=O)(=O)C1 ZINC000086022723 179218386 /nfs/dbraw/zinc/21/83/86/179218386.db2.gz FAYRVEHJMPPYHW-BMIGLBTASA-N 0 3 293.388 2.430 10 0 CEAEHN c1csc(CN2CCN[C@H](c3ccccc3)C2)n1 ZINC000086144205 179237534 /nfs/dbraw/zinc/23/75/34/179237534.db2.gz WIBMGZAUVJAUHI-ZDUSSCGKSA-N 0 3 259.378 2.290 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(=NN)c(Cl)c2)[C@@H]1C ZINC000086082068 179228523 /nfs/dbraw/zinc/22/85/23/179228523.db2.gz CJOHPGHSPWGAKR-XLDPMVHQSA-N 0 3 282.775 2.185 10 0 CEAEHN CC[C@H]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)[C@@H]1C ZINC000086094019 179228852 /nfs/dbraw/zinc/22/88/52/179228852.db2.gz OCXSQSGHZWJVAH-BVUBDWEXSA-N 0 3 274.408 2.497 10 0 CEAEHN CSCCCN1CCN[C@H](c2ccccc2)C1 ZINC000086149807 179240686 /nfs/dbraw/zinc/24/06/86/179240686.db2.gz ZONWLKFRIXOFNH-AWEZNQCLSA-N 0 3 250.411 2.386 10 0 CEAEHN CCn1cc(N2C[C@@H](c3ccccc3)NC[C@@H]2C)cn1 ZINC000086218499 179249861 /nfs/dbraw/zinc/24/98/61/179249861.db2.gz VGIVASZNDOWMLB-BBRMVZONSA-N 0 3 270.380 2.442 10 0 CEAEHN CN[C@@H]1CCCc2sc(N3CCOC(C)(C)C3)nc21 ZINC000086442918 179294220 /nfs/dbraw/zinc/29/42/20/179294220.db2.gz LOFQIECSVVOIFJ-SNVBAGLBSA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1cccc(F)c1 ZINC000086446337 179294622 /nfs/dbraw/zinc/29/46/22/179294622.db2.gz SVOIOBMFOQNCOY-LSDHHAIUSA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cc(Cl)c[nH]1 ZINC000086447172 179295394 /nfs/dbraw/zinc/29/53/94/179295394.db2.gz FDHLFTSWXMNNKQ-WDEREUQCSA-N 0 3 269.776 2.271 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2cccs2)[C@@H](CC)CN1 ZINC000086447605 179295405 /nfs/dbraw/zinc/29/54/05/179295405.db2.gz IHOVQVVJGXKTMC-NEPJUHHUSA-N 0 3 266.410 2.280 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)[C@@H](CC)CN1 ZINC000086447442 179295463 /nfs/dbraw/zinc/29/54/63/179295463.db2.gz KRULSTGKVMBQQJ-CABCVRRESA-N 0 3 288.391 2.224 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccccc1F ZINC000086447267 179295591 /nfs/dbraw/zinc/29/55/91/179295591.db2.gz IABHTNPBBFOBCN-NWDGAFQWSA-N 0 3 264.344 2.428 10 0 CEAEHN C[C@H]1CN(C(=O)c2ccccc2OC(F)F)[C@@H](C)CN1 ZINC000086467277 179297385 /nfs/dbraw/zinc/29/73/85/179297385.db2.gz LNZOQZQHMJEBJX-UWVGGRQHSA-N 0 3 284.306 2.110 10 0 CEAEHN COC(=O)CCNCc1ccc(OC)c(Cl)c1 ZINC000086584113 179309251 /nfs/dbraw/zinc/30/92/51/179309251.db2.gz WXRIZVIUYVMUFM-UHFFFAOYSA-N 0 3 257.717 2.001 10 0 CEAEHN C[C@@H](N)c1nc2cc(F)c(Br)cc2[nH]1 ZINC000086598544 179310880 /nfs/dbraw/zinc/31/08/80/179310880.db2.gz DPGFGPUHZNIOJG-SCSAIBSYSA-N 0 3 258.094 2.484 10 0 CEAEHN C[C@@H](N)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000086598544 179310882 /nfs/dbraw/zinc/31/08/82/179310882.db2.gz DPGFGPUHZNIOJG-SCSAIBSYSA-N 0 3 258.094 2.484 10 0 CEAEHN COC[C@@H](N[C@H](C)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000086695549 179320900 /nfs/dbraw/zinc/32/09/00/179320900.db2.gz OAZYJILVIACKFQ-BXUZGUMPSA-N 0 3 292.379 2.339 10 0 CEAEHN CN(C)C(C)(C)COc1nnc(Br)s1 ZINC000086657981 179316788 /nfs/dbraw/zinc/31/67/88/179316788.db2.gz FABJWEXZYNHKNH-UHFFFAOYSA-N 0 3 280.191 2.020 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(CC)CC)CCC[C@@H]1C ZINC000086678037 179319558 /nfs/dbraw/zinc/31/95/58/179319558.db2.gz DGJQSCGMKCCJCR-DZGCQCFKSA-N 0 3 270.417 2.040 10 0 CEAEHN CC[C@](C)(N)C(=O)NCc1ccc(Br)s1 ZINC000086803964 179338621 /nfs/dbraw/zinc/33/86/21/179338621.db2.gz SKIUCVOYCRPAJV-JTQLQIEISA-N 0 3 291.214 2.254 10 0 CEAEHN COC(=O)[C@@]1(Nc2cccc(OC)c2)CCCN(C)CC1 ZINC000086833299 179349485 /nfs/dbraw/zinc/34/94/85/179349485.db2.gz UXDPDIYNTZJBOK-MRXNPFEDSA-N 0 3 292.379 2.135 10 0 CEAEHN COC(=O)[C@]1(Nc2cccc(C)c2)CCCN(C)CC1 ZINC000086833234 179349894 /nfs/dbraw/zinc/34/98/94/179349894.db2.gz OACXLBGKUUZACS-INIZCTEOSA-N 0 3 276.380 2.434 10 0 CEAEHN CCc1nc([C@@]2(N)CCCN(C)CC2)sc1C ZINC000086833635 179350645 /nfs/dbraw/zinc/35/06/45/179350645.db2.gz PGTXKBYNBSRAPN-CYBMUJFWSA-N 0 3 253.415 2.284 10 0 CEAEHN CC(C)N1CCC[C@@](CC(=O)[O-])([NH+]2CCCC2)CC1 ZINC000086868469 179360436 /nfs/dbraw/zinc/36/04/36/179360436.db2.gz MIUVPGDKRYIWNG-OAHLLOKOSA-N 0 3 268.401 2.190 10 0 CEAEHN CCC[C@H]([NH2+][C@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086868681 179362420 /nfs/dbraw/zinc/36/24/20/179362420.db2.gz OBRSELYIOUEZGO-STQMWFEESA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)N1CCC[C@]([NH2+]C2CCCC2)(C(=O)[O-])CC1 ZINC000086850360 179358209 /nfs/dbraw/zinc/35/82/09/179358209.db2.gz DVVWHUXRNZYQKO-OAHLLOKOSA-N 0 3 268.401 2.236 10 0 CEAEHN COc1ccc(C[C@@H](C)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000128730384 187387266 /nfs/dbraw/zinc/38/72/66/187387266.db2.gz SYWPXINLTYAFQC-HIFRSBDPSA-N 0 3 290.407 2.036 10 0 CEAEHN CCCn1nccc1[C@@H](N)[C@H]1CSCCS1 ZINC000086983857 179373667 /nfs/dbraw/zinc/37/36/67/179373667.db2.gz GDNXQDXCNVHPCQ-GHMZBOCLSA-N 0 3 257.428 2.142 10 0 CEAEHN Nc1ncc(Cl)cc1[C@@H](N)[C@@H]1CSCCS1 ZINC000086983843 179373748 /nfs/dbraw/zinc/37/37/48/179373748.db2.gz DLYIBLNJKWHZTL-DTWKUNHWSA-N 0 3 275.830 2.166 10 0 CEAEHN Cc1nc([C@H]2CSCCS2)ncc1[C@H](C)N ZINC000086985384 179373763 /nfs/dbraw/zinc/37/37/63/179373763.db2.gz DMKRGEOXHNWWIM-OIBJUYFYSA-N 0 3 255.412 2.326 10 0 CEAEHN CC[C@@](C)(O)CNCc1cc2c(c(Cl)c1)OCO2 ZINC000087012762 179379857 /nfs/dbraw/zinc/37/98/57/179379857.db2.gz QYZKPNHZMLCFPI-CYBMUJFWSA-N 0 3 271.744 2.319 10 0 CEAEHN CCN([C@@H](CN)c1ccc(OC)c(F)c1)[C@@H](C)COC ZINC000086991970 179375116 /nfs/dbraw/zinc/37/51/16/179375116.db2.gz AAYJWMOHFVCGEA-FZMZJTMJSA-N 0 3 284.375 2.191 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCCSCC2)cc1F ZINC000086991744 179375178 /nfs/dbraw/zinc/37/51/78/179375178.db2.gz QCZPMGQYBXEATL-CYBMUJFWSA-N 0 3 284.400 2.273 10 0 CEAEHN C[C@H](O)[C@H](C)Oc1c(Br)cccc1CN ZINC000087125543 179396332 /nfs/dbraw/zinc/39/63/32/179396332.db2.gz IZFCOBCRLXHSMA-YUMQZZPRSA-N 0 3 274.158 2.056 10 0 CEAEHN C[C@@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000248563592 539636793 /nfs/dbraw/zinc/63/67/93/539636793.db2.gz DHYIMHCAVPPDRX-KBXIAJHMSA-N 0 3 282.428 2.181 10 0 CEAEHN Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000248580109 539637530 /nfs/dbraw/zinc/63/75/30/539637530.db2.gz IGQPLFKQSPYWJZ-IJEWVQPXSA-N 0 3 290.407 2.157 10 0 CEAEHN CC(C)(C[C@H](N)c1cc2c(cc1Cl)OCCO2)C(N)=O ZINC000087722245 179477062 /nfs/dbraw/zinc/47/70/62/179477062.db2.gz LEGQVFKNZNQPCN-JTQLQIEISA-N 0 3 298.770 2.013 10 0 CEAEHN CCc1nsc(Sc2ccc(CN)cn2)n1 ZINC000087515035 179437918 /nfs/dbraw/zinc/43/79/18/179437918.db2.gz FUXMWRMHAYLWQD-UHFFFAOYSA-N 0 3 252.368 2.105 10 0 CEAEHN CCN[C@@](C)(CC(=O)OCC)c1ccc2c(c1)OCO2 ZINC000087548857 179444627 /nfs/dbraw/zinc/44/46/27/179444627.db2.gz FCEQNJWMBNEREX-HNNXBMFYSA-N 0 3 279.336 2.193 10 0 CEAEHN CC(C)N1CCCOC[C@H]1CNC(=O)OC(C)(C)C ZINC000616649947 348547565 /nfs/dbraw/zinc/54/75/65/348547565.db2.gz QTGSOZFPUNRWGA-GFCCVEGCSA-N 0 3 272.389 2.010 10 0 CEAEHN c1cc([C@H]2CN(Cc3ccccc3)CCCO2)n[nH]1 ZINC000616651160 348548556 /nfs/dbraw/zinc/54/85/56/348548556.db2.gz KGVBLGVHUZUQBT-OAHLLOKOSA-N 0 3 257.337 2.373 10 0 CEAEHN N[C@H]1CN(C(=O)C2CCC2)CC[C@H]1c1cccc(F)c1 ZINC000616569601 348523478 /nfs/dbraw/zinc/52/34/78/348523478.db2.gz IZRVUEVHXQTLPD-GJZGRUSLSA-N 0 3 276.355 2.269 10 0 CEAEHN C/C=C(\C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000616573015 348524079 /nfs/dbraw/zinc/52/40/79/348524079.db2.gz YNDLGRIKWYJKML-CFRHYJNPSA-N 0 3 276.355 2.435 10 0 CEAEHN CCN1CCOCC[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000616599822 348529928 /nfs/dbraw/zinc/52/99/28/348529928.db2.gz XJVLWKXHQSWNGK-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1coc(C2CCC2)n1 ZINC000248751782 539647731 /nfs/dbraw/zinc/64/77/31/539647731.db2.gz HASSGJFRORHGTE-AAEUAGOBSA-N 0 3 289.379 2.251 10 0 CEAEHN CCOC(=O)c1ccc([C@@H]2CCCN(CCO)C2)cc1 ZINC000616619756 348536437 /nfs/dbraw/zinc/53/64/37/348536437.db2.gz AVUACXDQHSUXEL-OAHLLOKOSA-N 0 3 277.364 2.035 10 0 CEAEHN c1ccc(CN2CCOC[C@H](c3ccncn3)C2)cc1 ZINC000616662452 348553937 /nfs/dbraw/zinc/55/39/37/348553937.db2.gz IASZYURPVZCBHC-OAHLLOKOSA-N 0 3 269.348 2.093 10 0 CEAEHN OCCc1cccc([C@@H]2c3ccccc3CCN2CCO)c1 ZINC000616679471 348557999 /nfs/dbraw/zinc/55/79/99/348557999.db2.gz UMVJIGREWKKAAH-LJQANCHMSA-N 0 3 297.398 2.161 10 0 CEAEHN OC[C@@]1(CN2CCC[C@H](C(F)(F)F)C2)CCCOC1 ZINC000088437049 179601945 /nfs/dbraw/zinc/60/19/45/179601945.db2.gz TYBQCIIXIOTCGE-RYUDHWBXSA-N 0 3 281.318 2.050 10 0 CEAEHN COc1ccc(C(=O)N2CCNCC23CCCCC3)cc1 ZINC000088396001 179591368 /nfs/dbraw/zinc/59/13/68/179591368.db2.gz PDCICAITEDDJJV-UHFFFAOYSA-N 0 3 288.391 2.444 10 0 CEAEHN COc1ccc(NC(=O)CN[C@@H]2CC=CCC2)cc1 ZINC000088748649 179664299 /nfs/dbraw/zinc/66/42/99/179664299.db2.gz RWSQKAQCPXPIPZ-GFCCVEGCSA-N 0 3 260.337 2.332 10 0 CEAEHN CCNCc1ccccc1S(=O)(=O)NC[C@H](C)C(C)C ZINC000089048231 179693423 /nfs/dbraw/zinc/69/34/23/179693423.db2.gz SKGCXTBUZHCDLQ-ZDUSSCGKSA-N 0 3 298.452 2.367 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1OCCCS(C)(=O)=O ZINC000104342364 185976981 /nfs/dbraw/zinc/97/69/81/185976981.db2.gz GURGDYWJIXZHJZ-GFCCVEGCSA-N 0 3 285.409 2.089 10 0 CEAEHN CN1C[C@@H](CNCc2c(F)ccc(F)c2Cl)CC1=O ZINC000623571530 350054082 /nfs/dbraw/zinc/05/40/82/350054082.db2.gz ZSBSGPORMFDRAI-MRVPVSSYSA-N 0 3 288.725 2.186 10 0 CEAEHN CNCc1c(SCCCOC)nc2sccn12 ZINC000104441824 186003117 /nfs/dbraw/zinc/00/31/17/186003117.db2.gz HSUNHPRWRCDMDC-UHFFFAOYSA-N 0 3 271.411 2.244 10 0 CEAEHN CC(C)c1ccc(-c2noc([C@@]3(C)COC[C@H]3N)n2)cc1 ZINC000090573422 180007508 /nfs/dbraw/zinc/00/75/08/180007508.db2.gz UOKQXLAEXJRAPV-CJNGLKHVSA-N 0 3 287.363 2.475 10 0 CEAEHN CC[C@H](NC(=O)[C@]1(C)COC[C@@H]1N)c1ccc(Cl)cc1 ZINC000090586532 180009329 /nfs/dbraw/zinc/00/93/29/180009329.db2.gz DXAATAIZTYNILH-KCQAQPDRSA-N 0 3 296.798 2.271 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@]1(C)COC[C@@H]1N ZINC000090590092 180010165 /nfs/dbraw/zinc/01/01/65/180010165.db2.gz QNAHQVUNWSKIJK-GXTWGEPZSA-N 0 3 298.770 2.041 10 0 CEAEHN CC(C)c1ccc(CN(C)C(=O)[C@]2(C)COC[C@H]2N)cc1 ZINC000090591466 180010175 /nfs/dbraw/zinc/01/01/75/180010175.db2.gz WIYOZWIGCBBCBK-NVXWUHKLSA-N 0 3 290.407 2.132 10 0 CEAEHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1cn(CCCO)nn1 ZINC000090638244 180017447 /nfs/dbraw/zinc/01/74/47/180017447.db2.gz KORLZPKHQDPFRG-GJZGRUSLSA-N 0 3 294.443 2.355 10 0 CEAEHN Cc1ccncc1[C@H](N)c1ccc2nccnc2c1 ZINC000090709899 180027882 /nfs/dbraw/zinc/02/78/82/180027882.db2.gz CXZISTHZDRTZFT-OAHLLOKOSA-N 0 3 250.305 2.381 10 0 CEAEHN CCCC(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000090700517 180028063 /nfs/dbraw/zinc/02/80/63/180028063.db2.gz AIDQWRGPWVCNTF-CYBMUJFWSA-N 0 3 270.442 2.216 10 0 CEAEHN COCCNCc1cccc(SCC(=O)OC(C)C)c1 ZINC000090873061 180049889 /nfs/dbraw/zinc/04/98/89/180049889.db2.gz JFCPTQKFXCELFX-UHFFFAOYSA-N 0 3 297.420 2.466 10 0 CEAEHN Cc1ncc(CNC2CC2)n1C[C@@H]1Cc2ccccc2O1 ZINC000090877818 180052437 /nfs/dbraw/zinc/05/24/37/180052437.db2.gz KUTZIZDWBUIKJR-INIZCTEOSA-N 0 3 283.375 2.447 10 0 CEAEHN NC[C@@H](c1cc2ccccc2o1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905675 180060252 /nfs/dbraw/zinc/06/02/52/180060252.db2.gz WIBNFRVBSNESCD-MJBXVCDLSA-N 0 3 272.348 2.296 10 0 CEAEHN Cc1cc(C)c([C@H](N)CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906101 180060690 /nfs/dbraw/zinc/06/06/90/180060690.db2.gz PVRBJWVOZSVZSM-OWCLPIDISA-N 0 3 274.408 2.475 10 0 CEAEHN NC(=S)C[C@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906234 180061432 /nfs/dbraw/zinc/06/14/32/180061432.db2.gz KNCSKVQVZHXTEO-HZSPNIEDSA-N 0 3 276.405 2.267 10 0 CEAEHN NCc1nc(CN[C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000090932274 180066237 /nfs/dbraw/zinc/06/62/37/180066237.db2.gz QBNIBDBZUONASP-CHWSQXEVSA-N 0 3 259.378 2.248 10 0 CEAEHN C[C@H](NC[C@H]1Cc2ccccc21)C(=O)N1CCCCC1 ZINC000090992205 180081423 /nfs/dbraw/zinc/08/14/23/180081423.db2.gz AFEHHQCCUZWPHD-DZGCQCFKSA-N 0 3 272.392 2.317 10 0 CEAEHN CCn1c(C[C@@H]2CSCCN2)nc2ccccc21 ZINC000091128478 180100691 /nfs/dbraw/zinc/10/06/91/180100691.db2.gz MTBCPBFCFHYKBH-LLVKDONJSA-N 0 3 261.394 2.304 10 0 CEAEHN C[C@H](NC(=O)C[C@@H]1CSCCN1)c1ccccc1F ZINC000091135396 180103744 /nfs/dbraw/zinc/10/37/44/180103744.db2.gz BWTIGGPYHJLAJM-WDEREUQCSA-N 0 3 282.384 2.098 10 0 CEAEHN Cc1cc(C)nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2)n1 ZINC000091359178 180140429 /nfs/dbraw/zinc/14/04/29/180140429.db2.gz AWNVMKDTFCPFDL-RDBSUJKOSA-N 0 3 288.395 2.343 10 0 CEAEHN COCCNCc1cc(F)ccc1S[C@H](C)CCO ZINC000091268283 180117116 /nfs/dbraw/zinc/11/71/16/180117116.db2.gz XWQDPIODJKJIEA-LLVKDONJSA-N 0 3 287.400 2.425 10 0 CEAEHN CCCN[C@H](CC(=O)OCC)c1cncn1C(C)C ZINC000091274092 180119263 /nfs/dbraw/zinc/11/92/63/180119263.db2.gz HOCZGPHOTLTYQZ-GFCCVEGCSA-N 0 3 267.373 2.458 10 0 CEAEHN CCc1ccc(N(C)C(=O)C[C@@H]2CSCCN2)cc1 ZINC000091290776 180121800 /nfs/dbraw/zinc/12/18/00/180121800.db2.gz KFKNVZQGCNDGDU-CYBMUJFWSA-N 0 3 278.421 2.307 10 0 CEAEHN Cc1cc([C@H](C)NC(=O)C[C@H]2CSCCN2)c(C)o1 ZINC000091290661 180122278 /nfs/dbraw/zinc/12/22/78/180122278.db2.gz XWJXRHGHUBGAED-JQWIXIFHSA-N 0 3 282.409 2.169 10 0 CEAEHN Cc1ccc2c(c1)nc(C[C@H]1CNCCO1)n2C1CC1 ZINC000091293204 180124114 /nfs/dbraw/zinc/12/41/14/180124114.db2.gz ASXZYXTYRYHXNL-ZDUSSCGKSA-N 0 3 271.364 2.211 10 0 CEAEHN NCc1ccccc1CNC(=O)c1ccncc1Cl ZINC000091456869 180160339 /nfs/dbraw/zinc/16/03/39/180160339.db2.gz BWGBTAVRHYAMOT-UHFFFAOYSA-N 0 3 275.739 2.124 10 0 CEAEHN O[C@H](CNC1CC(O)C1)c1cc(Cl)ccc1Cl ZINC000091424756 180152383 /nfs/dbraw/zinc/15/23/83/180152383.db2.gz HASJRTZOEVTNSI-SHVIVCPWSA-N 0 3 276.163 2.140 10 0 CEAEHN CN[C@@H](c1cc(F)cc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566615 180194051 /nfs/dbraw/zinc/19/40/51/180194051.db2.gz WYVQCXWKBVWLRH-AWEZNQCLSA-N 0 3 284.350 2.336 10 0 CEAEHN CC(C)([C@H](N)c1cnc2ccccc2c1)N1CCOCC1 ZINC000091566289 180194295 /nfs/dbraw/zinc/19/42/95/180194295.db2.gz ZHUZFMCRKVMKEN-MRXNPFEDSA-N 0 3 285.391 2.345 10 0 CEAEHN CCN[C@@H](c1ccoc1)C(C)(C)N1CCOCC1 ZINC000091566996 180195022 /nfs/dbraw/zinc/19/50/22/180195022.db2.gz OQHORZQUHMSNEY-ZDUSSCGKSA-N 0 3 252.358 2.041 10 0 CEAEHN CC[C@](C)([C@H](N)c1cc(OC)ccc1OC)N(C)C ZINC000091570145 180195837 /nfs/dbraw/zinc/19/58/37/180195837.db2.gz OVVOSJKSQAUCKS-HUUCEWRRSA-N 0 3 266.385 2.434 10 0 CEAEHN CC[C@H](C)N1CCN(c2c(N)c(C(C)C)nn2C)CC1 ZINC000091578457 180198217 /nfs/dbraw/zinc/19/82/17/180198217.db2.gz NGZZHDMHTPEVMX-LBPRGKRZSA-N 0 3 279.432 2.046 10 0 CEAEHN CC[C@@](C)([C@@H](NC)c1ccco1)N1CCOCC1 ZINC000091612479 180207150 /nfs/dbraw/zinc/20/71/50/180207150.db2.gz YDGOODMHIXYULT-KBPBESRZSA-N 0 3 252.358 2.041 10 0 CEAEHN CC[C@](C)([C@H](NC)c1ccco1)N1CCOCC1 ZINC000091612478 180207483 /nfs/dbraw/zinc/20/74/83/180207483.db2.gz YDGOODMHIXYULT-ZIAGYGMSSA-N 0 3 252.358 2.041 10 0 CEAEHN Cc1cc(F)cc(N[C@@]2(CO)CN3CCC2CC3)c1 ZINC000091517753 180177564 /nfs/dbraw/zinc/17/75/64/180177564.db2.gz RIPBVCJVGSSXQH-OAHLLOKOSA-N 0 3 264.344 2.003 10 0 CEAEHN CCn1nccc1[C@@H](NC)C(C)(C)N1CCCC1 ZINC000091534376 180181345 /nfs/dbraw/zinc/18/13/45/180181345.db2.gz BEODGRFRMRTKBU-CYBMUJFWSA-N 0 3 250.390 2.038 10 0 CEAEHN CCCN[C@@H](c1nccn1C)C1(N(C)C)CCCC1 ZINC000091638329 180212600 /nfs/dbraw/zinc/21/26/00/180212600.db2.gz AIIIEVTXRXQCKG-ZDUSSCGKSA-N 0 3 264.417 2.335 10 0 CEAEHN CCN[C@H](c1cncnc1)C1(N(C)C)CCCCC1 ZINC000091647757 180215442 /nfs/dbraw/zinc/21/54/42/180215442.db2.gz RDZDGNUTBQEYPT-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN CN[C@H](c1cncnc1)C1(N(C)C)CCC(C)CC1 ZINC000091649081 180216168 /nfs/dbraw/zinc/21/61/68/180216168.db2.gz QRTMBGZQJLEPDH-HNFVBEJKSA-N 0 3 262.401 2.248 10 0 CEAEHN Nc1cc(Cl)ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091662632 180220193 /nfs/dbraw/zinc/22/01/93/180220193.db2.gz DHCROESYRMSQSQ-NEPJUHHUSA-N 0 3 281.787 2.197 10 0 CEAEHN CCN[C@H](c1cccc2cnccc21)[C@@H]1CN(C)CCO1 ZINC000091718731 180233373 /nfs/dbraw/zinc/23/33/73/180233373.db2.gz XQKOMPNYPXGISA-DLBZAZTESA-N 0 3 285.391 2.216 10 0 CEAEHN CCN[C@@H](c1ccc(C)s1)[C@H]1CN(C)CCO1 ZINC000091718896 180233784 /nfs/dbraw/zinc/23/37/84/180233784.db2.gz PJEOQDDGSMMELV-DGCLKSJQSA-N 0 3 254.399 2.038 10 0 CEAEHN CCOc1ccc([C@H](N)CN(C)C)cc1OCC ZINC000091719574 180234126 /nfs/dbraw/zinc/23/41/26/180234126.db2.gz AUBJLYABQAWHHT-GFCCVEGCSA-N 0 3 252.358 2.045 10 0 CEAEHN CCCN[C@H](c1ccc(OC)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719519 180234398 /nfs/dbraw/zinc/23/43/98/180234398.db2.gz HJCCAQZMLDZTMR-JKSUJKDBSA-N 0 3 296.386 2.206 10 0 CEAEHN Cc1cc([C@H](C)N[C@H]2CCOC[C@@H]2O)c(C)s1 ZINC000624235363 350238624 /nfs/dbraw/zinc/23/86/24/350238624.db2.gz JEBRIBYIBRPSQI-XDTLVQLUSA-N 0 3 255.383 2.165 10 0 CEAEHN CN[C@H](c1ccc(F)cc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721319 180237721 /nfs/dbraw/zinc/23/77/21/180237721.db2.gz XUQSUQRYLFSJLW-FVQBIDKESA-N 0 3 278.371 2.258 10 0 CEAEHN CN[C@H](c1ccc(C)s1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721499 180239132 /nfs/dbraw/zinc/23/91/32/180239132.db2.gz HBWDTGQPNUQIRN-BZPMIXESSA-N 0 3 266.410 2.180 10 0 CEAEHN CCN1CCC([N@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091781880 180253531 /nfs/dbraw/zinc/25/35/31/180253531.db2.gz YRSMZKKOOXFQIZ-NSHDSACASA-N 0 3 280.368 2.455 10 0 CEAEHN CCN1CCC([N@@H+](C)[C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091781880 180253533 /nfs/dbraw/zinc/25/35/33/180253533.db2.gz YRSMZKKOOXFQIZ-NSHDSACASA-N 0 3 280.368 2.455 10 0 CEAEHN Cc1noc(CCNCc2ccc(Br)cc2)n1 ZINC000105470134 186059465 /nfs/dbraw/zinc/05/94/65/186059465.db2.gz BVAKCDTZKASFLJ-UHFFFAOYSA-N 0 3 296.168 2.473 10 0 CEAEHN Cc1cc(CN(C)C2CCC3(CC2)OCCO3)on1 ZINC000091853773 180273317 /nfs/dbraw/zinc/27/33/17/180273317.db2.gz NLWOPBXJOCOEJA-UHFFFAOYSA-N 0 3 266.341 2.101 10 0 CEAEHN CCn1cncc1CN(C)C1CCC2(CC1)OCCO2 ZINC000091853526 180273609 /nfs/dbraw/zinc/27/36/09/180273609.db2.gz YLPSXRIOLYKWAH-UHFFFAOYSA-N 0 3 279.384 2.021 10 0 CEAEHN CN[C@@H](C)c1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054424 180314682 /nfs/dbraw/zinc/31/46/82/180314682.db2.gz SEFSREZQGYWUGJ-WCQYABFASA-N 0 3 298.814 2.330 10 0 CEAEHN CCNCc1nc(C)ccc1OCc1nccn1CC ZINC000091994737 180301308 /nfs/dbraw/zinc/30/13/08/180301308.db2.gz FBLGHEVWPWWLGR-UHFFFAOYSA-N 0 3 274.368 2.295 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]2n2ccnc2)n1 ZINC000091994160 180301431 /nfs/dbraw/zinc/30/14/31/180301431.db2.gz ZJHBQIVWUYZJRG-JSGCOSHPSA-N 0 3 272.352 2.176 10 0 CEAEHN CCNCc1nc(C)ccc1OCCOCC(F)(F)F ZINC000091994784 180301523 /nfs/dbraw/zinc/30/15/23/180301523.db2.gz LKVZQPMBJRQXKG-UHFFFAOYSA-N 0 3 292.301 2.457 10 0 CEAEHN Cc1ccc(OC[C@@H](C)O)c(CNC(C)(C)C)n1 ZINC000091996002 180301833 /nfs/dbraw/zinc/30/18/33/180301833.db2.gz JHCMDFFYPWALHC-LLVKDONJSA-N 0 3 252.358 2.038 10 0 CEAEHN CCN[C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)cc1 ZINC000092093964 180322888 /nfs/dbraw/zinc/32/28/88/180322888.db2.gz HBDROPZYTNEMMH-GUTXKFCHSA-N 0 3 288.391 2.287 10 0 CEAEHN CCC[C@@H](C(=O)N1CCc2cc(F)ccc2C1)N(C)C ZINC000092097679 180324033 /nfs/dbraw/zinc/32/40/33/180324033.db2.gz KOBDTPSEOQXMSX-HNNXBMFYSA-N 0 3 278.371 2.441 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccccc1F ZINC000105872178 186080861 /nfs/dbraw/zinc/08/08/61/186080861.db2.gz GWHWXQLXIVKCIG-MNOVXSKESA-N 0 3 260.316 2.083 10 0 CEAEHN COC(=O)CCN(C)C[C@@H]1CSc2ccccc21 ZINC000092292611 180357789 /nfs/dbraw/zinc/35/77/89/180357789.db2.gz AZNNBAZAROJETK-LLVKDONJSA-N 0 3 265.378 2.371 10 0 CEAEHN CCN[C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)c(C)c1 ZINC000105832431 186076469 /nfs/dbraw/zinc/07/64/69/186076469.db2.gz PZLIANWECWDDQJ-DZGCQCFKSA-N 0 3 288.391 2.349 10 0 CEAEHN CC(C)Oc1ccccc1CN1CCO[C@H](CN(C)C)C1 ZINC000105923926 186090262 /nfs/dbraw/zinc/09/02/62/186090262.db2.gz SOPMVUJDEHHSEY-MRXNPFEDSA-N 0 3 292.423 2.236 10 0 CEAEHN CCn1cnnc1C1CCN(CCCOC(C)C)CC1 ZINC000105928389 186092424 /nfs/dbraw/zinc/09/24/24/186092424.db2.gz QWCGOVTUPJJXAT-UHFFFAOYSA-N 0 3 280.416 2.293 10 0 CEAEHN CCOC(=O)C[C@@H](C)N[C@H](C)c1c(C)noc1C ZINC000092339388 180365369 /nfs/dbraw/zinc/36/53/69/180365369.db2.gz ZVAZGTQPJZYEKY-RKDXNWHRSA-N 0 3 254.330 2.284 10 0 CEAEHN CCOC(=O)C[C@H](N)c1cc(C)nc2ccccc21 ZINC000092344489 180366188 /nfs/dbraw/zinc/36/61/88/180366188.db2.gz YOGNSEJUTFDXQK-ZDUSSCGKSA-N 0 3 258.321 2.496 10 0 CEAEHN CCc1ccc(O)c(NC(=O)CNC(C)(C)C)c1 ZINC000092344329 180366207 /nfs/dbraw/zinc/36/62/07/180366207.db2.gz IVGAHAJHFVRGRO-UHFFFAOYSA-N 0 3 250.342 2.281 10 0 CEAEHN Cc1cc(Cn2cc(CN)cn2)c2ccccc2n1 ZINC000092364626 180367855 /nfs/dbraw/zinc/36/78/55/180367855.db2.gz HQXWPNCENMZFCR-UHFFFAOYSA-N 0 3 252.321 2.247 10 0 CEAEHN CN(Cc1cccc(Cl)n1)[C@@H]1CCCN(C)C1 ZINC000092366520 180368903 /nfs/dbraw/zinc/36/89/03/180368903.db2.gz ZUHCLIKPASIHEO-GFCCVEGCSA-N 0 3 253.777 2.261 10 0 CEAEHN CNc1cccc(CN2CCN(C3CCCC3)CC2)n1 ZINC000092370194 180369765 /nfs/dbraw/zinc/36/97/65/180369765.db2.gz UKNUACIVZXFLOH-UHFFFAOYSA-N 0 3 274.412 2.184 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nnc(C(C)C)o1 ZINC000106378377 186111945 /nfs/dbraw/zinc/11/19/45/186111945.db2.gz RHZJANIGVXKKHV-LBPRGKRZSA-N 0 3 266.389 2.109 10 0 CEAEHN CCOC(=O)C[C@@]1(NC)CCCc2ccc(OC)cc21 ZINC000092390473 180375089 /nfs/dbraw/zinc/37/50/89/180375089.db2.gz LSLLHVIXKIAXBD-INIZCTEOSA-N 0 3 277.364 2.399 10 0 CEAEHN CCN[C@@H]1c2cc(OC)ccc2CC[C@H]1[S@](C)=O ZINC000092389015 180375096 /nfs/dbraw/zinc/37/50/96/180375096.db2.gz YIYKRGQIAHTEKA-HBUWYVDXSA-N 0 3 267.394 2.039 10 0 CEAEHN COc1ccc(OC)c([C@H]2CN[C@@H](C(C)C)CO2)c1 ZINC000092403450 180378032 /nfs/dbraw/zinc/37/80/32/180378032.db2.gz QQFYWKXTWNOKOP-UKRRQHHQSA-N 0 3 265.353 2.389 10 0 CEAEHN Nc1ccnc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000092419389 180381923 /nfs/dbraw/zinc/38/19/23/180381923.db2.gz ANVHTHXWPJXYMT-VIFPVBQESA-N 0 3 259.275 2.438 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](n1ccnc1C)CC2 ZINC000092386057 180373762 /nfs/dbraw/zinc/37/37/62/180373762.db2.gz HNCKXJPVBWPNSY-CABCVRRESA-N 0 3 257.337 2.387 10 0 CEAEHN COCCCO[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092386731 180374002 /nfs/dbraw/zinc/37/40/02/180374002.db2.gz PEUYKWHWYZHIQX-CABCVRRESA-N 0 3 265.353 2.063 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](OC[C@@H]1CCOC1)CC2 ZINC000092386746 180374053 /nfs/dbraw/zinc/37/40/53/180374053.db2.gz NKMCYCAIZAOXHS-LYRGGWFBSA-N 0 3 277.364 2.063 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@H]1OCCCOC ZINC000092386728 180374081 /nfs/dbraw/zinc/37/40/81/180374081.db2.gz BZQNLPVVUBXPQP-CVEARBPZSA-N 0 3 279.380 2.324 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@H](NCCc2cccc(C)c2)C1=O ZINC000106929039 186152189 /nfs/dbraw/zinc/15/21/89/186152189.db2.gz JHRLJFYRRXQRSX-ZFWWWQNUSA-N 0 3 288.391 2.053 10 0 CEAEHN C[C@@H](O)c1ccccc1NC(=O)CNC(C)(C)C ZINC000092461067 180390265 /nfs/dbraw/zinc/39/02/65/180390265.db2.gz KDQIGCUVSNUGFA-SNVBAGLBSA-N 0 3 250.342 2.067 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=S)NCc1cccs1 ZINC000109670901 186269165 /nfs/dbraw/zinc/26/91/65/186269165.db2.gz UZSYWYBSWHZYSO-NSHDSACASA-N 0 3 283.466 2.149 10 0 CEAEHN Cn1cnnc1CCNCc1cc(Cl)cc(Cl)c1 ZINC000109422664 186251376 /nfs/dbraw/zinc/25/13/76/186251376.db2.gz GXABANIOGQGXFW-UHFFFAOYSA-N 0 3 285.178 2.454 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCCc2cccc(F)c2)C1 ZINC000109402765 186252107 /nfs/dbraw/zinc/25/21/07/186252107.db2.gz XAYQWGXOEOVCIE-OAHLLOKOSA-N 0 3 293.386 2.104 10 0 CEAEHN CCN[C@@H](CN(CCC(C)C)C1CC1)C(=O)OCC ZINC000109999535 186282454 /nfs/dbraw/zinc/28/24/54/186282454.db2.gz UDGQCJLNHHACBD-AWEZNQCLSA-N 0 3 270.417 2.038 10 0 CEAEHN CN[C@@H](CO[C@@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526799 186300638 /nfs/dbraw/zinc/30/06/38/186300638.db2.gz CPDXDYWESLFXQW-OCCSQVGLSA-N 0 3 265.353 2.070 10 0 CEAEHN CCCC[C@H](CC)C(=O)NC1CCN(CC(N)=S)CC1 ZINC000110825815 186327388 /nfs/dbraw/zinc/32/73/88/186327388.db2.gz DUWCWSLHJNDUFA-LBPRGKRZSA-N 0 3 299.484 2.070 10 0 CEAEHN CCN1CCN(Cc2nc(NC)ccc2Cl)C[C@@H]1C ZINC000110742754 186318589 /nfs/dbraw/zinc/31/85/89/186318589.db2.gz AGXOHPARFGEJOV-NSHDSACASA-N 0 3 282.819 2.303 10 0 CEAEHN Cc1ccc([C@H](O)CN2CCN(C)C(C)(C)C2)cc1C ZINC000110736434 186318785 /nfs/dbraw/zinc/31/87/85/186318785.db2.gz MZWSWSHPZPPBLR-MRXNPFEDSA-N 0 3 276.424 2.363 10 0 CEAEHN CCNc1ccc(CN2CCN(C)[C@@H](CC)C2)cn1 ZINC000110743009 186319099 /nfs/dbraw/zinc/31/90/99/186319099.db2.gz QOFSPDFJJZJNKL-AWEZNQCLSA-N 0 3 262.401 2.039 10 0 CEAEHN Cc1ccc([C@H](O)CCN2CCN(C)C(C)(C)C2)cc1 ZINC000110748310 186320508 /nfs/dbraw/zinc/32/05/08/186320508.db2.gz KFBYXHDRLBBPOL-MRXNPFEDSA-N 0 3 276.424 2.445 10 0 CEAEHN C[C@H]1CN(CCNCc2ccc(Cl)s2)CCN1C ZINC000110756409 186320697 /nfs/dbraw/zinc/32/06/97/186320697.db2.gz ZGVVNQQGXXTRHQ-NSHDSACASA-N 0 3 287.860 2.127 10 0 CEAEHN C[C@@H]1CN(Cc2c3ccccc3oc2CN)CCN1C ZINC000110751020 186321287 /nfs/dbraw/zinc/32/12/87/186321287.db2.gz VEHXOPGPQIWKGS-GFCCVEGCSA-N 0 3 273.380 2.027 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc3c(c2)CCN3)CCN1C ZINC000110762932 186322930 /nfs/dbraw/zinc/32/29/30/186322930.db2.gz ZBJCXALUGZAWSH-OAHLLOKOSA-N 0 3 259.397 2.181 10 0 CEAEHN NCc1cc(F)ccc1N[C@@H](CO)Cc1ccccc1 ZINC000111028375 186345876 /nfs/dbraw/zinc/34/58/76/186345876.db2.gz XSUAHPVMMFGWKV-OAHLLOKOSA-N 0 3 274.339 2.300 10 0 CEAEHN CN(Cc1ccccn1)[C@@H](CN)c1cccc(F)c1F ZINC000111039285 186346704 /nfs/dbraw/zinc/34/67/04/186346704.db2.gz NIWNCFIZWRYWQX-AWEZNQCLSA-N 0 3 277.318 2.492 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1cccc(OC)c1OC ZINC000111117811 186354747 /nfs/dbraw/zinc/35/47/47/186354747.db2.gz YFOGLMHLUPYMBG-AWEZNQCLSA-N 0 3 296.411 2.062 10 0 CEAEHN CCOCCN(CC)Cc1csc(CNC(C)C)n1 ZINC000111123643 186355551 /nfs/dbraw/zinc/35/55/51/186355551.db2.gz LXNQWLPIOWJXEO-UHFFFAOYSA-N 0 3 285.457 2.500 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N(CC)CCOCC ZINC000111118795 186355784 /nfs/dbraw/zinc/35/57/84/186355784.db2.gz IJRQABORGDIOBJ-RDJZCZTQSA-N 0 3 292.423 2.457 10 0 CEAEHN CN(C)CCN(C)C[C@@H](O)c1cccc2ccccc21 ZINC000111143254 186359362 /nfs/dbraw/zinc/35/93/62/186359362.db2.gz APNWAEVNZJDJAJ-QGZVFWFLSA-N 0 3 272.392 2.367 10 0 CEAEHN CN(Cc1ccc(F)cc1C(N)=S)C[C@@H]1CCCOC1 ZINC000111163050 186364342 /nfs/dbraw/zinc/36/43/42/186364342.db2.gz GFMJBCOBBNETJU-NSHDSACASA-N 0 3 296.411 2.318 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160986 186364370 /nfs/dbraw/zinc/36/43/70/186364370.db2.gz FVKUFFILRBAWSG-JLJPHGGASA-N 0 3 290.407 2.067 10 0 CEAEHN CN[C@H](c1nc2c(s1)CCC2)[C@@H]1CCCOC1 ZINC000111322188 186396728 /nfs/dbraw/zinc/39/67/28/186396728.db2.gz QQDFSGAMSFGOEU-SKDRFNHKSA-N 0 3 252.383 2.319 10 0 CEAEHN Cc1ccccc1CN(C)C[C@]1(CO)CCCOC1 ZINC000111331487 186399689 /nfs/dbraw/zinc/39/96/89/186399689.db2.gz HQRYBSSVBZVAEC-INIZCTEOSA-N 0 3 263.381 2.216 10 0 CEAEHN N[C@@H](c1ccc2c(c1)COC2)c1ccc2[nH]c(=O)oc2c1 ZINC000111305679 186393524 /nfs/dbraw/zinc/39/35/24/186393524.db2.gz IQGCOEZUPXXTPC-HNNXBMFYSA-N 0 3 282.299 2.199 10 0 CEAEHN COc1cccc(OC)c1-c1ncc(CN)s1 ZINC000629709603 351482421 /nfs/dbraw/zinc/48/24/21/351482421.db2.gz AIRZGVGGOLLAOX-UHFFFAOYSA-N 0 3 250.323 2.286 10 0 CEAEHN Cn1cccc1CN1CCC(Cn2cccn2)CC1 ZINC000122120947 187016117 /nfs/dbraw/zinc/01/61/17/187016117.db2.gz JYMDLQTXJTYRCL-UHFFFAOYSA-N 0 3 258.369 2.134 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1CC(=O)c1ccccc1F ZINC000094462232 539879899 /nfs/dbraw/zinc/87/98/99/539879899.db2.gz OOULKZKZKJOKIQ-CHWSQXEVSA-N 0 3 276.355 2.177 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(C)cc(C)c1O ZINC000094574498 539882699 /nfs/dbraw/zinc/88/26/99/539882699.db2.gz HWTNWYQYLAHBIW-BXKDBHETSA-N 0 3 250.342 2.321 10 0 CEAEHN CCN1CCO[C@H](CN[C@H]2CCc3cc(F)ccc32)C1 ZINC000252740381 539897260 /nfs/dbraw/zinc/89/72/60/539897260.db2.gz JGLWXVPGKKGILB-ZBFHGGJFSA-N 0 3 278.371 2.123 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nc2c(s1)CCC2 ZINC000678830328 539927401 /nfs/dbraw/zinc/92/74/01/539927401.db2.gz KMNWLAWRICWBLZ-NWDGAFQWSA-N 0 3 277.437 2.300 10 0 CEAEHN CCC[C@H](C(=O)NCCc1nc(C)c(C)s1)N(C)C ZINC000155876366 188232695 /nfs/dbraw/zinc/23/26/95/188232695.db2.gz DBWQXXJHZXSASO-GFCCVEGCSA-N 0 3 283.441 2.149 10 0 CEAEHN CC[C@H](NC[C@H]1CN(C)CCO1)c1ccccc1F ZINC000164074862 188619620 /nfs/dbraw/zinc/61/96/20/188619620.db2.gz YWBUKSONFGKZNL-WFASDCNBSA-N 0 3 266.360 2.197 10 0 CEAEHN CC(C)NCc1cc(NC(=O)OC(C)(C)C)nn1C ZINC000675051042 540063368 /nfs/dbraw/zinc/06/33/68/540063368.db2.gz GZWKSZOTDIPMFJ-UHFFFAOYSA-N 0 3 268.361 2.265 10 0 CEAEHN CCN(C)[S@@](=O)(=NC(C)C)c1ccc(N)cc1 ZINC000675076519 540118022 /nfs/dbraw/zinc/11/80/22/540118022.db2.gz YDSMLBUIZSNDKK-KRWDZBQOSA-N 0 3 255.387 2.371 10 0 CEAEHN c1ccc2c(c1)C[C@H]2CN1CCCC2(C1)OCCO2 ZINC000134061444 366281587 /nfs/dbraw/zinc/28/15/87/366281587.db2.gz DREVZEBIXBWMGH-AWEZNQCLSA-N 0 3 259.349 2.165 10 0 CEAEHN COc1c(CNCCc2ccc(F)cc2)c(C)nn1C ZINC000134082707 366284874 /nfs/dbraw/zinc/28/48/74/366284874.db2.gz VKWSOZZYXVMNMY-UHFFFAOYSA-N 0 3 277.343 2.209 10 0 CEAEHN CC(C)CS(=O)(=O)C(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000076214163 363529593 /nfs/dbraw/zinc/52/95/93/363529593.db2.gz BDWFAZGWRNJYEA-QWHCGFSZSA-N 0 3 297.420 2.323 10 0 CEAEHN CCc1cc(I)c(OC)c(CN)c1 ZINC000575724786 366347589 /nfs/dbraw/zinc/34/75/89/366347589.db2.gz CQIHDYUJVVNWAA-UHFFFAOYSA-N 0 3 291.132 2.321 10 0 CEAEHN CC(C)CCO[C@@H]1CCN(C[C@@H](O)COC(C)(C)C)C1 ZINC000246068287 538822291 /nfs/dbraw/zinc/82/22/91/538822291.db2.gz BZJTXCALBONFEL-HUUCEWRRSA-N 0 3 287.444 2.299 10 0 CEAEHN Cc1cc(NCCn2ccnn2)c2ccccc2n1 ZINC000136313908 366509015 /nfs/dbraw/zinc/50/90/15/366509015.db2.gz CYUKAVYVUNTSQT-UHFFFAOYSA-N 0 3 253.309 2.247 10 0 CEAEHN CN(C)C[C@@H](NC(=O)CC[C@@H]1CCOC1)c1ccccc1 ZINC000176584748 189000792 /nfs/dbraw/zinc/00/07/92/189000792.db2.gz AHWJFVIAXUNFAH-GDBMZVCRSA-N 0 3 290.407 2.222 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)COc1ccc(F)cc1 ZINC000176994477 189019321 /nfs/dbraw/zinc/01/93/21/189019321.db2.gz IWVNEYWZFATIKH-AWEZNQCLSA-N 0 3 294.370 2.147 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1nc(C)cs1 ZINC000177320356 189043641 /nfs/dbraw/zinc/04/36/41/189043641.db2.gz ADIHALNITRFFRS-LBPRGKRZSA-N 0 3 296.440 2.077 10 0 CEAEHN CCn1cc([C@H](C)N[C@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000178359056 189109863 /nfs/dbraw/zinc/10/98/63/189109863.db2.gz LNFJEJGDYHLMBR-UVBJJODRSA-N 0 3 271.364 2.212 10 0 CEAEHN Cc1cccc(C(=O)N2CC[C@H](N(C)C)C2)c1Cl ZINC000179043956 189164702 /nfs/dbraw/zinc/16/47/02/189164702.db2.gz JEIJUEHHTLGXDO-NSHDSACASA-N 0 3 266.772 2.425 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000179410414 189192581 /nfs/dbraw/zinc/19/25/81/189192581.db2.gz YRRPKYWIZKWDGU-NWDGAFQWSA-N 0 3 294.345 2.375 10 0 CEAEHN CCC(CC)n1nc(C)cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000180335133 189250788 /nfs/dbraw/zinc/25/07/88/189250788.db2.gz QYGITXFYUZFXTM-AWEZNQCLSA-N 0 3 292.427 2.329 10 0 CEAEHN C[C@@H]1CCc2c(F)cccc2[C@H]1NC[C@@H]1CN(C)CCO1 ZINC000180488428 189258057 /nfs/dbraw/zinc/25/80/57/189258057.db2.gz SNDMPEBMERZYJC-XNJGSVPQSA-N 0 3 292.398 2.369 10 0 CEAEHN COc1ccc([C@@H](C)N[C@@H]2CCc3ncnn3C2)c(F)c1 ZINC000180605322 189265552 /nfs/dbraw/zinc/26/55/52/189265552.db2.gz RFVLNEDWJPVOOH-GHMZBOCLSA-N 0 3 290.342 2.091 10 0 CEAEHN CCC(CC)n1nc(C(=O)N2CC[C@@H](N(C)C)C2)cc1C ZINC000180505005 189259213 /nfs/dbraw/zinc/25/92/13/189259213.db2.gz LDIKKYFFQRGALJ-CQSZACIVSA-N 0 3 292.427 2.329 10 0 CEAEHN O=C(c1ccc(N2CCNCC2)cc1)c1cccc(F)c1 ZINC000000280659 361156018 /nfs/dbraw/zinc/15/60/18/361156018.db2.gz CREYTUQITMJIGM-UHFFFAOYSA-N 0 3 284.334 2.466 10 0 CEAEHN CCC[C@H](N)C(=O)NCCc1ccccc1Cl ZINC000152465703 366699161 /nfs/dbraw/zinc/69/91/61/366699161.db2.gz ZRGHINZJFXZVMD-LBPRGKRZSA-N 0 3 254.761 2.126 10 0 CEAEHN C[C@@H](CCC(C)(C)C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000153834768 366739409 /nfs/dbraw/zinc/73/94/09/366739409.db2.gz GMSPZPDGSSZUQU-KBPBESRZSA-N 0 3 299.459 2.173 10 0 CEAEHN CN(C)CCNc1ncnc2c3ccccc3[nH]c21 ZINC000005144317 361330057 /nfs/dbraw/zinc/33/00/57/361330057.db2.gz KZFHGBQJNVSGMS-UHFFFAOYSA-N 0 3 255.325 2.085 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000182100665 189314165 /nfs/dbraw/zinc/31/41/65/189314165.db2.gz PGQFHVYIGAOTAD-IINYFYTJSA-N 0 3 293.411 2.039 10 0 CEAEHN O[C@@H](CCc1ccccc1)CN1CCN2CCCC[C@@H]2C1 ZINC000182525825 189326532 /nfs/dbraw/zinc/32/65/32/189326532.db2.gz UPVPUUNTPLKWQS-MSOLQXFVSA-N 0 3 288.435 2.150 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1cccc(F)c1F ZINC000182921256 189339588 /nfs/dbraw/zinc/33/95/88/189339588.db2.gz TXTPJFRGTPMIFQ-KCJUWKMLSA-N 0 3 256.296 2.269 10 0 CEAEHN O[C@@H](Cc1ccccc1)CN1CC[C@H](Oc2cccnc2)C1 ZINC000154686156 366784820 /nfs/dbraw/zinc/78/48/20/366784820.db2.gz SNQMGVCZJQNXQZ-WMZOPIPTSA-N 0 3 298.386 2.138 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N2CCN(C3CCC(C)CC3)CC2)O1 ZINC000155078793 366806650 /nfs/dbraw/zinc/80/66/50/366806650.db2.gz XSPBIZSLOITKGX-KNIAUWFNSA-N 0 3 294.439 2.277 10 0 CEAEHN N[C@@H]1CCOc2c(I)cccc21 ZINC000016082983 361483329 /nfs/dbraw/zinc/48/33/29/361483329.db2.gz HSIABZSZVHCIEE-MRVPVSSYSA-N 0 3 275.089 2.074 10 0 CEAEHN C[C@H]1CNC[C@@H](c2cccc(Br)c2)O1 ZINC000032108962 361727364 /nfs/dbraw/zinc/72/73/64/361727364.db2.gz QBQFLRSLORLINS-KWQFWETISA-N 0 3 256.143 2.499 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H](N)c1cnc2cc[nH]c2c1 ZINC000089221491 363949889 /nfs/dbraw/zinc/94/98/89/363949889.db2.gz DSYOJAHJFWJLKE-SNVBAGLBSA-N 0 3 276.340 2.087 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC000092627354 364090604 /nfs/dbraw/zinc/09/06/04/364090604.db2.gz MRMDXKRQPYWYQN-AWEZNQCLSA-N 0 3 264.344 2.382 10 0 CEAEHN CCn1cc(C2CCN(Cc3c[nH]nc3C)CC2)cn1 ZINC000092809400 364109438 /nfs/dbraw/zinc/10/94/38/364109438.db2.gz OQGNMEJNUUWFDQ-UHFFFAOYSA-N 0 3 273.384 2.314 10 0 CEAEHN O=C(CCCN1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000094462617 364275554 /nfs/dbraw/zinc/27/55/54/364275554.db2.gz TVQQCEJKCJURCU-MRXNPFEDSA-N 0 3 272.392 2.430 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCc1cscn1 ZINC000094434714 364272945 /nfs/dbraw/zinc/27/29/45/364272945.db2.gz CELKJNYRYSLZAN-GXTWGEPZSA-N 0 3 265.426 2.244 10 0 CEAEHN CCCCNC(=O)NC(=O)CN[C@@H](C)c1ccccc1C ZINC000102683904 364606131 /nfs/dbraw/zinc/60/61/31/364606131.db2.gz QUJUXGTVOXBKBM-ZDUSSCGKSA-N 0 3 291.395 2.272 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)CC1CCN(C)CC1 ZINC000103507586 364662476 /nfs/dbraw/zinc/66/24/76/364662476.db2.gz YMBCFGXTGVKLEE-LBPRGKRZSA-N 0 3 255.406 2.014 10 0 CEAEHN Cc1cnn(CCN[C@H](C)C(=O)Nc2ccccc2C)c1 ZINC000105881037 364702938 /nfs/dbraw/zinc/70/29/38/364702938.db2.gz QPAJFSLCBBTBEG-CQSZACIVSA-N 0 3 286.379 2.117 10 0 CEAEHN CCn1cc(CN[C@@H](CN(C)C)c2ccccc2)cn1 ZINC000112095800 364773790 /nfs/dbraw/zinc/77/37/90/364773790.db2.gz PNHLVVFDTFJYKM-INIZCTEOSA-N 0 3 272.396 2.296 10 0 CEAEHN CSc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)o1 ZINC000113231210 364878822 /nfs/dbraw/zinc/87/88/22/364878822.db2.gz BRDVGCCXTVGUPX-GHMZBOCLSA-N 0 3 280.393 2.310 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1csc(C2CC2)n1 ZINC000113232854 364879373 /nfs/dbraw/zinc/87/93/73/364879373.db2.gz GEPFJSZBEWOPHS-CMPLNLGQSA-N 0 3 291.420 2.329 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nc(-c2ccccc2)no1 ZINC000113271933 364882562 /nfs/dbraw/zinc/88/25/62/364882562.db2.gz JDZSAMYJKPRQQI-DZGCQCFKSA-N 0 3 298.390 2.405 10 0 CEAEHN Cc1ncccc1CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000335729311 364896465 /nfs/dbraw/zinc/89/64/65/364896465.db2.gz BTNOFHSCEDMOKW-BBRMVZONSA-N 0 3 259.397 2.449 10 0 CEAEHN CC(C)N(C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116211438 365044264 /nfs/dbraw/zinc/04/42/64/365044264.db2.gz CEMAYXFEXSYZKK-LBPRGKRZSA-N 0 3 250.342 2.283 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCS[C@H](C)[C@@H]2C)C1 ZINC000118571436 365164493 /nfs/dbraw/zinc/16/44/93/365164493.db2.gz QHXMEWHOIADAFN-XQQFMLRXSA-N 0 3 285.457 2.006 10 0 CEAEHN CC[C@](C)(O)CN1CCO[C@H](CCc2ccccc2)C1 ZINC000119491972 365281215 /nfs/dbraw/zinc/28/12/15/365281215.db2.gz JFNGNZNTDNQWNT-SJORKVTESA-N 0 3 277.408 2.481 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)CC(C)(C)OC)N(C)C ZINC000120286100 365401897 /nfs/dbraw/zinc/40/18/97/365401897.db2.gz LTFFDFSAENWEHM-NWDGAFQWSA-N 0 3 258.406 2.037 10 0 CEAEHN CC[C@@H]1CN(Cc2ccsc2)CCN1C[C@@H](C)O ZINC000120762039 365471443 /nfs/dbraw/zinc/47/14/43/365471443.db2.gz OKIRQWFBGXVHDC-TZMCWYRMSA-N 0 3 268.426 2.025 10 0 CEAEHN Cc1cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)ccc1F ZINC000120614090 365451111 /nfs/dbraw/zinc/45/11/11/365451111.db2.gz ASXGDORNJZCOFX-ZIAGYGMSSA-N 0 3 280.387 2.021 10 0 CEAEHN Cc1cnn(CCCCCN2[C@@H](C)COC[C@@H]2C)c1 ZINC000120955050 365502354 /nfs/dbraw/zinc/50/23/54/365502354.db2.gz QOUQVIHQPHSVMV-GJZGRUSLSA-N 0 3 265.401 2.471 10 0 CEAEHN CCC[C@H](C)CS(=O)(=O)N(C)C[C@H]1CCCN1CC ZINC000245423090 370817393 /nfs/dbraw/zinc/81/73/93/370817393.db2.gz QLCUCYMSKJPASL-UONOGXRCSA-N 0 3 290.473 2.169 10 0 CEAEHN CCC[C@@H](C(=O)NCCCOc1ccc(F)cc1)N(C)C ZINC000161831883 367114062 /nfs/dbraw/zinc/11/40/62/367114062.db2.gz KVYYWAWOUQINOC-HNNXBMFYSA-N 0 3 296.386 2.441 10 0 CEAEHN CCCCCNC(=O)[C@H](C)N(C)C[C@H]1CCCN1CC ZINC000245480559 370827009 /nfs/dbraw/zinc/82/70/09/370827009.db2.gz XKXUHNLQSWASAG-LSDHHAIUSA-N 0 3 283.460 2.097 10 0 CEAEHN CCC[C@H](C(=O)N[C@H]1C[C@@H](OCC)C12CCC2)N(C)C ZINC000245508563 370830941 /nfs/dbraw/zinc/83/09/41/370830941.db2.gz JHVSNOUQLCEUJT-HZSPNIEDSA-N 0 3 282.428 2.181 10 0 CEAEHN COc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000171084403 367474314 /nfs/dbraw/zinc/47/43/14/367474314.db2.gz HQOISBHFZWKSSQ-GFCCVEGCSA-N 0 3 277.368 2.171 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2sccc2-n2cccc2)C1 ZINC000170856390 367432871 /nfs/dbraw/zinc/43/28/71/367432871.db2.gz XVSKZDMYWDCISW-LBPRGKRZSA-N 0 3 289.404 2.315 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccc(Cl)cc2)C1 ZINC000170861448 367433866 /nfs/dbraw/zinc/43/38/66/367433866.db2.gz LILIDXAXJQSLHV-ZDUSSCGKSA-N 0 3 281.787 2.186 10 0 CEAEHN CC(C)CC[C@H](C)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861914 367434239 /nfs/dbraw/zinc/43/42/39/367434239.db2.gz FBIZUVKCVNTNLW-QWHCGFSZSA-N 0 3 255.406 2.157 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000170863751 367434291 /nfs/dbraw/zinc/43/42/91/367434291.db2.gz AQVNKTWMIWUKPB-CYBMUJFWSA-N 0 3 289.354 2.012 10 0 CEAEHN CC(C)Cc1nc(C(=O)N2CC[C@H](N(C)C)C2)cs1 ZINC000170864392 367434526 /nfs/dbraw/zinc/43/45/26/367434526.db2.gz RXOYOARWTGYRGO-NSHDSACASA-N 0 3 281.425 2.118 10 0 CEAEHN C[C@H](CC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1F ZINC000170868332 367435850 /nfs/dbraw/zinc/43/58/50/367435850.db2.gz CHBQYGHWKJDLNX-OLZOCXBDSA-N 0 3 278.371 2.482 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCCc2ccccc2)C1 ZINC000170865953 367436658 /nfs/dbraw/zinc/43/66/58/367436658.db2.gz JYRJNCVHPLEHAB-HNNXBMFYSA-N 0 3 260.381 2.172 10 0 CEAEHN C[C@H](CN1CCCCC1)NC(=O)N1CCS[C@@H](C)C1 ZINC000171422595 367539995 /nfs/dbraw/zinc/53/99/95/367539995.db2.gz DYVPGLOIANLYML-OLZOCXBDSA-N 0 3 285.457 2.008 10 0 CEAEHN O=C(/C=C/c1cccc(F)c1)N1CCN2CCC[C@@H]2C1 ZINC000171584459 367571893 /nfs/dbraw/zinc/57/18/93/367571893.db2.gz BCQSDDJZNRVUQB-LQYUOIDQSA-N 0 3 274.339 2.146 10 0 CEAEHN C[Si](C)(C)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171746053 367608826 /nfs/dbraw/zinc/60/88/26/367608826.db2.gz SPJAYOXJOLQOOH-INIZCTEOSA-N 0 3 292.499 2.215 10 0 CEAEHN COc1cc(F)ccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000171888667 367634728 /nfs/dbraw/zinc/63/47/28/367634728.db2.gz QRRJTLQNTFICAF-LBPRGKRZSA-N 0 3 293.342 2.146 10 0 CEAEHN COc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1F ZINC000171890060 367634926 /nfs/dbraw/zinc/63/49/26/367634926.db2.gz WVGAYLCMURAYSC-LBPRGKRZSA-N 0 3 293.342 2.146 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1cccs1 ZINC000173422462 367909436 /nfs/dbraw/zinc/90/94/36/367909436.db2.gz XUKMWNRSQZCKMW-CHWSQXEVSA-N 0 3 291.420 2.465 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](N3CC=CC3)C2)o1 ZINC000173464728 367911822 /nfs/dbraw/zinc/91/18/22/367911822.db2.gz CQRISHTUWIQZIB-ZIAGYGMSSA-N 0 3 289.379 2.305 10 0 CEAEHN C[C@H](COCc1ccccc1)NC(=O)C1CCN(C)CC1 ZINC000173367639 367903688 /nfs/dbraw/zinc/90/36/88/367903688.db2.gz HJRQZDJNAYMRAC-CQSZACIVSA-N 0 3 290.407 2.050 10 0 CEAEHN C[C@@H](NCCn1cncn1)c1ccc(F)c(Cl)c1 ZINC000358081699 370896706 /nfs/dbraw/zinc/89/67/06/370896706.db2.gz LLOQVPYLOIONMP-SECBINFHSA-N 0 3 268.723 2.421 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000262592369 284006518 /nfs/dbraw/zinc/00/65/18/284006518.db2.gz VIDDWDBGAXYQDW-HUBLWGQQSA-N 0 3 270.417 2.214 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000175341686 368127145 /nfs/dbraw/zinc/12/71/45/368127145.db2.gz IFYRSLQWLLHXRJ-ZDUSSCGKSA-N 0 3 294.395 2.291 10 0 CEAEHN CCc1ncc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)s1 ZINC000174961968 368084953 /nfs/dbraw/zinc/08/49/53/368084953.db2.gz DNGJBMPINGJIPB-RYUDHWBXSA-N 0 3 293.436 2.404 10 0 CEAEHN CO[C@H]1C[C@@H](CO)N(Cc2ccc3nc(C)ccc3c2)C1 ZINC000343964626 368095525 /nfs/dbraw/zinc/09/55/25/368095525.db2.gz WWQDGGDNQHDBJT-HOTGVXAUSA-N 0 3 286.375 2.125 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(Cl)cn2)C1 ZINC000175849391 368182186 /nfs/dbraw/zinc/18/21/86/368182186.db2.gz CEBXLOSSLRMZHZ-LLVKDONJSA-N 0 3 282.775 2.341 10 0 CEAEHN CC1(C)CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCN1 ZINC000175390573 368133736 /nfs/dbraw/zinc/13/37/36/368133736.db2.gz DREPPFAHMNGHPC-NEPJUHHUSA-N 0 3 294.345 2.279 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)ccc1[O-] ZINC000175437865 368137733 /nfs/dbraw/zinc/13/77/33/368137733.db2.gz AHWJRIDWFXOOCW-ZIAGYGMSSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)ccc1[O-] ZINC000175437865 368137735 /nfs/dbraw/zinc/13/77/35/368137735.db2.gz AHWJRIDWFXOOCW-ZIAGYGMSSA-N 0 3 288.391 2.399 10 0 CEAEHN CC(C)c1nnc(CN[C@H](CCO)C2CCCCC2)n1C ZINC000183705747 368644481 /nfs/dbraw/zinc/64/44/81/368644481.db2.gz SJXKAJICZRNBBZ-CQSZACIVSA-N 0 3 294.443 2.359 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000246040064 370902274 /nfs/dbraw/zinc/90/22/74/370902274.db2.gz XHROFSWUHSLWGS-CABCVRRESA-N 0 3 279.428 2.445 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2nc(C)ccc2OC)C1 ZINC000184266207 368684303 /nfs/dbraw/zinc/68/43/03/368684303.db2.gz VXJUQISVNAZZTG-LBPRGKRZSA-N 0 3 292.383 2.004 10 0 CEAEHN COC(=O)c1cccc(CN2CCN3CCCC[C@H]3C2)c1 ZINC000246126898 370911496 /nfs/dbraw/zinc/91/14/96/370911496.db2.gz BOJWXVZWUPOANG-INIZCTEOSA-N 0 3 288.391 2.143 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2c(C)noc2C2CC2)C1 ZINC000185813417 368866125 /nfs/dbraw/zinc/86/61/25/368866125.db2.gz HIVJSPQNDKBYSV-LBPRGKRZSA-N 0 3 292.383 2.466 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2cccnc2)C12CCOCC2 ZINC000186197991 368935680 /nfs/dbraw/zinc/93/56/80/368935680.db2.gz JGUDEFFBXOQVQZ-GJZGRUSLSA-N 0 3 276.380 2.145 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2cccc(O)c2)C12CCOCC2 ZINC000186306419 368954503 /nfs/dbraw/zinc/95/45/03/368954503.db2.gz ZDWLRFZQCGMPSN-JKSUJKDBSA-N 0 3 291.391 2.456 10 0 CEAEHN Cc1nccnc1[C@@H](C)N[C@H](CC(C)C)CN(C)C ZINC000187953866 369261049 /nfs/dbraw/zinc/26/10/49/369261049.db2.gz YVEKQADSCVDZHA-ZIAGYGMSSA-N 0 3 264.417 2.412 10 0 CEAEHN C(c1noc(C2CCCCC2)n1)N1CCN2CCC[C@H]2C1 ZINC000246368927 370952025 /nfs/dbraw/zinc/95/20/25/370952025.db2.gz HEFHWAWINDRQAZ-AWEZNQCLSA-N 0 3 290.411 2.397 10 0 CEAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)c1ccnn1C ZINC000192246510 369785639 /nfs/dbraw/zinc/78/56/39/369785639.db2.gz HGNCJZKUANAEEI-DZGCQCFKSA-N 0 3 272.396 2.374 10 0 CEAEHN COc1c(CNCC2(SC)CCC2)c(C)nn1C ZINC000193649593 369966845 /nfs/dbraw/zinc/96/68/45/369966845.db2.gz RWXNQOGRSHCVPV-UHFFFAOYSA-N 0 3 269.414 2.112 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(C[C@@H]3CCC=CO3)C2)no1 ZINC000193857007 369985564 /nfs/dbraw/zinc/98/55/64/369985564.db2.gz FZMGDKJISLCNRG-KBPBESRZSA-N 0 3 277.368 2.325 10 0 CEAEHN CCCN(CC(F)F)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000195014424 370095983 /nfs/dbraw/zinc/09/59/83/370095983.db2.gz AKYUPEBQTRCSJF-LLVKDONJSA-N 0 3 277.359 2.157 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccco2)C1 ZINC000195154172 370108578 /nfs/dbraw/zinc/10/85/78/370108578.db2.gz LTECOUAANQNDMH-QWHCGFSZSA-N 0 3 279.384 2.466 10 0 CEAEHN CCN[C@H](C)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000637925130 370174343 /nfs/dbraw/zinc/17/43/43/370174343.db2.gz RDZQDRDLGSWCDD-RISCZKNCSA-N 0 3 296.798 2.238 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1 ZINC000195383942 370127920 /nfs/dbraw/zinc/12/79/20/370127920.db2.gz BYRLWHQNCVADFR-ZFWWWQNUSA-N 0 3 290.411 2.268 10 0 CEAEHN COc1c(CNCCc2cccc(OC)c2)c(C)nn1C ZINC000226327253 370336052 /nfs/dbraw/zinc/33/60/52/370336052.db2.gz PSCJNONHMAWBGX-UHFFFAOYSA-N 0 3 289.379 2.078 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000236787083 370627144 /nfs/dbraw/zinc/62/71/44/370627144.db2.gz CPDBXPGCDHJNFJ-LLVKDONJSA-N 0 3 263.341 2.019 10 0 CEAEHN CC(C)CCO[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247025378 371048844 /nfs/dbraw/zinc/04/88/44/371048844.db2.gz GEMARPWYVSFXTA-KFWWJZLASA-N 0 3 282.428 2.133 10 0 CEAEHN COc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000246766715 371007770 /nfs/dbraw/zinc/00/77/70/371007770.db2.gz ASZUIZMDQZIHNY-JSGCOSHPSA-N 0 3 274.364 2.004 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000246787292 371010165 /nfs/dbraw/zinc/01/01/65/371010165.db2.gz BJVCRCNVOZVOCJ-JQWIXIFHSA-N 0 3 279.771 2.044 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1cccs1 ZINC000246883401 371025061 /nfs/dbraw/zinc/02/50/61/371025061.db2.gz BDHUDQAVTOWREG-RYUDHWBXSA-N 0 3 264.394 2.158 10 0 CEAEHN CCOCCN1CCN(CCc2ccccc2)C[C@H]1C ZINC000247001870 371044030 /nfs/dbraw/zinc/04/40/30/371044030.db2.gz BMRHUFNZVVEBSQ-MRXNPFEDSA-N 0 3 276.424 2.272 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC[C@H](C)C(C)C)C1 ZINC000247046277 371053979 /nfs/dbraw/zinc/05/39/79/371053979.db2.gz WNWVDWXGGDJCBJ-STQMWFEESA-N 0 3 255.406 2.062 10 0 CEAEHN Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c(C)o1 ZINC000247291163 371089383 /nfs/dbraw/zinc/08/93/83/371089383.db2.gz KVVCKPLKNJYMMM-YGRLFVJLSA-N 0 3 264.369 2.355 10 0 CEAEHN CCCc1nc(CN2CCN3CCC[C@H]3C2)cs1 ZINC000247400596 371102557 /nfs/dbraw/zinc/10/25/57/371102557.db2.gz YIYUIROTVIRKLO-ZDUSSCGKSA-N 0 3 265.426 2.376 10 0 CEAEHN C[C@H](c1ccccc1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247872336 371143805 /nfs/dbraw/zinc/14/38/05/371143805.db2.gz XTGZEVCWMGMWIW-QLFBSQMISA-N 0 3 262.397 2.135 10 0 CEAEHN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000249299840 371311629 /nfs/dbraw/zinc/31/16/29/371311629.db2.gz NUVIYVJGJUSBAX-XUXIUFHCSA-N 0 3 252.402 2.123 10 0 CEAEHN c1ccc(-c2nc(N3CCN4CCC[C@H]4C3)no2)cc1 ZINC000249359067 371316304 /nfs/dbraw/zinc/31/63/04/371316304.db2.gz SENHEUCSVYEKHK-ZDUSSCGKSA-N 0 3 270.336 2.021 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H]1CC(C)(C)CO1 ZINC000639493468 371359364 /nfs/dbraw/zinc/35/93/64/371359364.db2.gz ZEWIFBSJNLFAJL-QLFBSQMISA-N 0 3 266.429 2.360 10 0 CEAEHN O=C(CN1CCN2CCC[C@H]2C1)c1c[nH]c2ccccc12 ZINC000252668450 371465384 /nfs/dbraw/zinc/46/53/84/371465384.db2.gz XEMYBIQLDPYXID-ZDUSSCGKSA-N 0 3 283.375 2.131 10 0 CEAEHN O=C(/C=C\c1ccnc(Cl)c1)N1CCN2CCC[C@H]2C1 ZINC000255238476 371569033 /nfs/dbraw/zinc/56/90/33/371569033.db2.gz JVNSFKVMCFNPRI-SCOBNMCVSA-N 0 3 291.782 2.055 10 0 CEAEHN O=C(/C=C\c1cccc(F)c1)N1CCN2CCC[C@@H]2C1 ZINC000255299870 371572222 /nfs/dbraw/zinc/57/22/22/371572222.db2.gz BCQSDDJZNRVUQB-IDTUSYRASA-N 0 3 274.339 2.146 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)C1CCOCC1)[C@@H](C)c1ccccc1 ZINC000261604774 371675844 /nfs/dbraw/zinc/67/58/44/371675844.db2.gz ALDWTEILZICRKO-WWGRRREGSA-N 0 3 290.407 2.049 10 0 CEAEHN CC(C)Oc1ccc(NC(=O)C2(N)CCOCC2)c(F)c1 ZINC000261937961 371777893 /nfs/dbraw/zinc/77/78/93/371777893.db2.gz XBNSEAKFWNVYFC-UHFFFAOYSA-N 0 3 296.342 2.059 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(C)c(C)c2)CCCN1 ZINC000643614944 373220587 /nfs/dbraw/zinc/22/05/87/373220587.db2.gz RBMWBHJKXHDWMV-OAHLLOKOSA-N 0 3 262.353 2.011 10 0 CEAEHN COC[C@]1(C(=O)Nc2cccc(C)c2C)CCCN1 ZINC000643614846 373221456 /nfs/dbraw/zinc/22/14/56/373221456.db2.gz NLNDMEPYMSMEPO-HNNXBMFYSA-N 0 3 262.353 2.011 10 0 CEAEHN C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CNCCOC1 ZINC000643634692 373227307 /nfs/dbraw/zinc/22/73/07/373227307.db2.gz CWKPCPYKRJLMPI-RYUDHWBXSA-N 0 3 296.798 2.095 10 0 CEAEHN Clc1ccccc1-c1noc([C@@H]2CNCCOC2)n1 ZINC000644511218 373503275 /nfs/dbraw/zinc/50/32/75/373503275.db2.gz HDAPTYMCGXHSGN-SECBINFHSA-N 0 3 279.727 2.093 10 0 CEAEHN CC(C)(C)[C@H](O)CNCc1cncc(Br)c1 ZINC000274357046 373892541 /nfs/dbraw/zinc/89/25/41/373892541.db2.gz UKNQSXYFVRGMPE-LLVKDONJSA-N 0 3 287.201 2.341 10 0 CEAEHN c1ccc(CN2CCCC[C@@H]2CNc2cccnn2)cc1 ZINC000379667767 375155902 /nfs/dbraw/zinc/15/59/02/375155902.db2.gz BZNGLTKCINEHIG-MRXNPFEDSA-N 0 3 282.391 2.365 10 0 CEAEHN COc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282165742 375419139 /nfs/dbraw/zinc/41/91/39/375419139.db2.gz DQAPPLDLPJWWIA-COPLHBTASA-N 0 3 262.353 2.013 10 0 CEAEHN COc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)cc1Cl ZINC000282187959 375423056 /nfs/dbraw/zinc/42/30/56/375423056.db2.gz BTKAMQDNNCENSI-BXKDBHETSA-N 0 3 282.771 2.105 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccccc1F ZINC000282264551 375444057 /nfs/dbraw/zinc/44/40/57/375444057.db2.gz HHUDACGZTGYMGL-OUJBWJOFSA-N 0 3 250.317 2.143 10 0 CEAEHN CSc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282299489 375451181 /nfs/dbraw/zinc/45/11/81/375451181.db2.gz JQJDRCPCWQZCOZ-GWCFXTLKSA-N 0 3 264.394 2.165 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cc(F)cc(Cl)c1 ZINC000282410469 375477904 /nfs/dbraw/zinc/47/79/04/375477904.db2.gz QEOJNXYIGATAIR-PRHODGIISA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@H](CNCc1cncs1)N(C)C(=O)OC(C)(C)C ZINC000282674507 375546446 /nfs/dbraw/zinc/54/64/46/375546446.db2.gz JTYYCGRBQXWVII-SNVBAGLBSA-N 0 3 285.413 2.488 10 0 CEAEHN CCCCCCN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192009144 249339967 /nfs/dbraw/zinc/33/99/67/249339967.db2.gz GQTJJCDARPRQPZ-CQSZACIVSA-N 0 3 270.417 2.438 10 0 CEAEHN CCCCCCN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192009144 249339972 /nfs/dbraw/zinc/33/99/72/249339972.db2.gz GQTJJCDARPRQPZ-CQSZACIVSA-N 0 3 270.417 2.438 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H](O)CC1CCCC1 ZINC000300147601 379155411 /nfs/dbraw/zinc/15/54/11/379155411.db2.gz DWODEYWWRNKPND-PVAVHDDUSA-N 0 3 280.456 2.486 10 0 CEAEHN Cc1ccccc1[C@H](C)NC[C@@H](C)CS(C)(=O)=O ZINC000181555174 542274226 /nfs/dbraw/zinc/27/42/26/542274226.db2.gz UXHXWJNPYLOQHY-YPMHNXCESA-N 0 3 269.410 2.326 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2ccc(Br)o2)C1 ZINC000037164949 542278323 /nfs/dbraw/zinc/27/83/23/542278323.db2.gz LNCPRWODRGKUHD-BDAKNGLRSA-N 0 3 274.158 2.435 10 0 CEAEHN CNC(=O)[C@H](NCCOc1ccccc1Cl)C(C)C ZINC000183669995 542294297 /nfs/dbraw/zinc/29/42/97/542294297.db2.gz ZRZABHKIYGHAIC-CYBMUJFWSA-N 0 3 284.787 2.079 10 0 CEAEHN c1cn(C[C@H]2CCCN2Cc2cnc3ccccn23)cn1 ZINC000188409887 542321397 /nfs/dbraw/zinc/32/13/97/542321397.db2.gz MPGMKOOMGCZAPX-CQSZACIVSA-N 0 3 281.363 2.195 10 0 CEAEHN CCC[C@@H](C)N(C)S(=O)(=O)c1cc(CN)sc1C ZINC000088964926 184615735 /nfs/dbraw/zinc/61/57/35/184615735.db2.gz RUYJURXHPSAELJ-SECBINFHSA-N 0 3 290.454 2.324 10 0 CEAEHN CCC(CC)N1C(=O)C[C@@H](NC2C(C)(C)C2(C)C)C1=O ZINC000092816254 184628987 /nfs/dbraw/zinc/62/89/87/184628987.db2.gz RTJJSUNPVFZEMY-LLVKDONJSA-N 0 3 280.412 2.327 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@H](Sc1nncs1)C2 ZINC000092860566 184632444 /nfs/dbraw/zinc/63/24/44/184632444.db2.gz QWKXTGAPPOZHJX-GHMZBOCLSA-N 0 3 279.390 2.264 10 0 CEAEHN COc1ccc2nc(NCCN(C)C)sc2c1 ZINC000093421803 184673866 /nfs/dbraw/zinc/67/38/66/184673866.db2.gz RDKCUHAWNPILHY-UHFFFAOYSA-N 0 3 251.355 2.278 10 0 CEAEHN CCCN[C@@H](CC)CS(=O)(=O)c1cccc(OC)c1 ZINC000081923532 177897469 /nfs/dbraw/zinc/89/74/69/177897469.db2.gz XJNAHDKXGVOYTK-LBPRGKRZSA-N 0 3 285.409 2.247 10 0 CEAEHN CC[C@]1(C)CO[C@@H](c2nc3ccccc3n2C)CN1 ZINC000080884784 177722678 /nfs/dbraw/zinc/72/26/78/177722678.db2.gz RZARSJJBAZUKGM-UKRRQHHQSA-N 0 3 259.353 2.403 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@](C)(O)C2CC2)c1C ZINC000336817436 288756631 /nfs/dbraw/zinc/75/66/31/288756631.db2.gz QIDKLMYFTFEHPF-BONVTDFDSA-N 0 3 265.401 2.331 10 0 CEAEHN Cc1ccc(O[C@H]2CC[C@@](NC3CC3)(C(N)=O)C2)c(C)c1 ZINC000093836802 184730094 /nfs/dbraw/zinc/73/00/94/184730094.db2.gz SSLLPJNSBAAXHK-YOEHRIQHSA-N 0 3 288.391 2.211 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@@](C)(N)CC ZINC000094238186 184767928 /nfs/dbraw/zinc/76/79/28/184767928.db2.gz CVKQUJOFMLQBHM-ZDUSSCGKSA-N 0 3 284.381 2.299 10 0 CEAEHN CNCc1ccc(COc2ccc3c(c2)OCO3)nc1 ZINC000094760196 184855040 /nfs/dbraw/zinc/85/50/40/184855040.db2.gz ZCPHTTHPINUYRE-UHFFFAOYSA-N 0 3 272.304 2.109 10 0 CEAEHN CCNC[C@@H](C)S(=O)(=O)N(CC(C)C)C1CCCC1 ZINC000094852746 184879941 /nfs/dbraw/zinc/87/99/41/184879941.db2.gz GULIUXVCAILDKK-CYBMUJFWSA-N 0 3 290.473 2.215 10 0 CEAEHN CC(C)N[C@H](CSc1cc2ccccc2[nH]1)C(N)=O ZINC000094630226 184829588 /nfs/dbraw/zinc/82/95/88/184829588.db2.gz WIBQDNWYWLKDBW-GFCCVEGCSA-N 0 3 277.393 2.112 10 0 CEAEHN CC(C)NCc1cc2c(cc1O[C@@H](C)[C@H](C)O)OCO2 ZINC000094653157 184835807 /nfs/dbraw/zinc/83/58/07/184835807.db2.gz RDZNGILXTYSMQU-QWRGUYRKSA-N 0 3 281.352 2.061 10 0 CEAEHN C[C@H](CN1CCCC1)Nc1ncnc2c1CCCC2 ZINC000094872016 184884382 /nfs/dbraw/zinc/88/43/82/184884382.db2.gz GHOLOSDXNLEMRN-GFCCVEGCSA-N 0 3 260.385 2.252 10 0 CEAEHN Cc1ccsc1CN1CCC[C@H](NC2CC2)C1=O ZINC000094884849 184887253 /nfs/dbraw/zinc/88/72/53/184887253.db2.gz TUCGRRVXVBCACB-LBPRGKRZSA-N 0 3 264.394 2.300 10 0 CEAEHN CCN[C@H](c1cccc(OCC)c1)[C@@H]1CN(CC)CCO1 ZINC000094933359 184896067 /nfs/dbraw/zinc/89/60/67/184896067.db2.gz NPPFEHFLBJHCPK-DLBZAZTESA-N 0 3 292.423 2.457 10 0 CEAEHN CC(=O)c1c(F)cccc1N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000251854114 131131264 /nfs/dbraw/zinc/13/12/64/131131264.db2.gz RTYFPPHCCHRDDX-QMTHXVAHSA-N 0 3 264.344 2.415 10 0 CEAEHN CNCc1cncc(N2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000091419588 135069299 /nfs/dbraw/zinc/06/92/99/135069299.db2.gz BWPYNQNZMGVURI-CHWSQXEVSA-N 0 3 260.385 2.213 10 0 CEAEHN CCCNCc1cncc(N2CCC[C@@H](OCCC)C2)n1 ZINC000091421015 135069352 /nfs/dbraw/zinc/06/93/52/135069352.db2.gz WCSJTSUTCSPWTE-OAHLLOKOSA-N 0 3 292.427 2.372 10 0 CEAEHN CCO[C@@H]1CCCN(c2cncc(CNCC(C)C)n2)C1 ZINC000091421049 135069434 /nfs/dbraw/zinc/06/94/34/135069434.db2.gz GHGILGYSBSFYHD-OAHLLOKOSA-N 0 3 292.427 2.228 10 0 CEAEHN NCc1cncc(N2CCC3(CCCCC3)CC2)n1 ZINC000091421211 135069495 /nfs/dbraw/zinc/06/94/95/135069495.db2.gz UGPAYEGQZIIQQC-UHFFFAOYSA-N 0 3 260.385 2.486 10 0 CEAEHN C[C@@H]1CN(c2cncc(CNC(C)(C)C)n2)CC(C)(C)O1 ZINC000091420402 135069502 /nfs/dbraw/zinc/06/95/02/135069502.db2.gz PJSBGQNLALMZSH-GFCCVEGCSA-N 0 3 292.427 2.368 10 0 CEAEHN C[C@H]1Cc2ccccc2N(C[C@@H]2Cc3nc[nH]c3CN2)C1 ZINC000092799445 135077469 /nfs/dbraw/zinc/07/74/69/135077469.db2.gz CTJAYLPWBKGVAN-JSGCOSHPSA-N 0 3 282.391 2.123 10 0 CEAEHN CN1CCN(c2ccncc2CO)[C@H](c2ccccc2)C1 ZINC000138416835 135083447 /nfs/dbraw/zinc/08/34/47/135083447.db2.gz SAUJEHBPOOXNBQ-KRWDZBQOSA-N 0 3 283.375 2.067 10 0 CEAEHN CC[C@](C)(N)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000094231692 135084318 /nfs/dbraw/zinc/08/43/18/135084318.db2.gz XDLLVDFWCKZKAV-HNNXBMFYSA-N 0 3 295.814 2.116 10 0 CEAEHN CC[C@@](C)(N)C(=O)N1CCCc2cccc(OC)c21 ZINC000094235745 135084458 /nfs/dbraw/zinc/08/44/58/135084458.db2.gz TWAKJZYRTOBNHO-OAHLLOKOSA-N 0 3 262.353 2.102 10 0 CEAEHN CN(C)C[C@H](NC(=O)NCC1CCC1)c1ccccc1 ZINC000048217302 394515618 /nfs/dbraw/zinc/51/56/18/394515618.db2.gz WGHJSGUEUPEFKR-HNNXBMFYSA-N 0 3 275.396 2.389 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCc3ccccc32)C1 ZINC000246478120 394516669 /nfs/dbraw/zinc/51/66/69/394516669.db2.gz QMRPKXHAZHGVFG-DZGCQCFKSA-N 0 3 287.407 2.487 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCOCC(F)(F)F ZINC000252661358 394573089 /nfs/dbraw/zinc/57/30/89/394573089.db2.gz IUDHUKUHCBPHOW-RYUDHWBXSA-N 0 3 280.334 2.124 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC[C@@H](C)C2)C1 ZINC000246592945 394519033 /nfs/dbraw/zinc/51/90/33/394519033.db2.gz YYAOADGGEREXPP-MGPQQGTHSA-N 0 3 267.417 2.157 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)C1 ZINC000246668916 394519932 /nfs/dbraw/zinc/51/99/32/394519932.db2.gz GCZOFRBUPJOCJB-KYJSFNMBSA-N 0 3 284.403 2.053 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000246964179 394524151 /nfs/dbraw/zinc/52/41/51/394524151.db2.gz NAHFUYABFRNXOD-NEPJUHHUSA-N 0 3 293.798 2.434 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)COc2ccc(Cl)cc2)C1 ZINC000048753498 394526542 /nfs/dbraw/zinc/52/65/42/394526542.db2.gz PIIVDVBGYAWLLI-CYBMUJFWSA-N 0 3 296.798 2.319 10 0 CEAEHN Cc1c(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cnn1C ZINC000093649970 394668262 /nfs/dbraw/zinc/66/82/62/394668262.db2.gz ZEMCIDJXGMNZOQ-JTQLQIEISA-N 0 3 287.367 2.070 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H]2CSC)C1 ZINC000121473383 394798285 /nfs/dbraw/zinc/79/82/85/394798285.db2.gz YAYWEBRIPBMKAC-CHWSQXEVSA-N 0 3 285.457 2.008 10 0 CEAEHN CCn1nccc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000129356799 394863854 /nfs/dbraw/zinc/86/38/54/394863854.db2.gz REDKWUMSQXWCCY-UKRRQHHQSA-N 0 3 263.385 2.030 10 0 CEAEHN CC(C)CSCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000131531825 394912743 /nfs/dbraw/zinc/91/27/43/394912743.db2.gz WRSVKVQZDFZORX-CYBMUJFWSA-N 0 3 272.458 2.318 10 0 CEAEHN Cc1cc(Cl)ccc1CN[C@H]1CCC(=O)N[C@@H]1C ZINC000282391661 394919098 /nfs/dbraw/zinc/91/90/98/394919098.db2.gz OZOKFJRFNWJXTM-MFKMUULPSA-N 0 3 266.772 2.405 10 0 CEAEHN C[C@@H]1CCC[C@H](CN2CCO[C@H](CN(C)C)C2)C1 ZINC000133399412 394951347 /nfs/dbraw/zinc/95/13/47/394951347.db2.gz XDXPYPGKKUCXHD-QLFBSQMISA-N 0 3 254.418 2.075 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC000155714140 395029159 /nfs/dbraw/zinc/02/91/59/395029159.db2.gz BOLMPGTVJWBEMA-YUELXQCFSA-N 0 3 288.391 2.008 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000136580195 394970343 /nfs/dbraw/zinc/97/03/43/394970343.db2.gz OPEGECMQGSFBEZ-WCQYABFASA-N 0 3 293.436 2.471 10 0 CEAEHN CCc1nnc(CN[C@H]2CCCC[C@@H]2CC)n1C ZINC000163297168 395083178 /nfs/dbraw/zinc/08/31/78/395083178.db2.gz DXTJXNDDMFQSFK-RYUDHWBXSA-N 0 3 250.390 2.436 10 0 CEAEHN CCC[C@H](N)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000158176786 395039819 /nfs/dbraw/zinc/03/98/19/395039819.db2.gz OOGOAGBYVFXMKH-NSHDSACASA-N 0 3 295.452 2.198 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccsc1 ZINC000175020971 395130778 /nfs/dbraw/zinc/13/07/78/395130778.db2.gz WRRGSPHIBZPUOJ-QWHCGFSZSA-N 0 3 264.394 2.447 10 0 CEAEHN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(N[C@@H]2C[C@H]2C)C1 ZINC000180638332 395204716 /nfs/dbraw/zinc/20/47/16/395204716.db2.gz SSBSOZKDKUVSSJ-DGCLKSJQSA-N 0 3 297.395 2.036 10 0 CEAEHN CC(C)(CN1CC[C@H]2OCCN[C@@H]2C1)c1ccccc1 ZINC000647541088 395730230 /nfs/dbraw/zinc/73/02/30/395730230.db2.gz ZUEYKVPEELSRCZ-HZPDHXFCSA-N 0 3 274.408 2.027 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@@H](C)CS(C)(=O)=O)c(C)c1 ZINC000081900566 292196379 /nfs/dbraw/zinc/19/63/79/292196379.db2.gz MCJGAXWODABZJU-QWHCGFSZSA-N 0 3 269.410 2.387 10 0 CEAEHN c1cnn(CC2CCN(CCO[C@H]3CCCCO3)CC2)c1 ZINC000193050904 153227519 /nfs/dbraw/zinc/22/75/19/153227519.db2.gz NHWZGEGAOODUST-INIZCTEOSA-N 0 3 293.411 2.138 10 0 CEAEHN CC[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000195326795 153281540 /nfs/dbraw/zinc/28/15/40/153281540.db2.gz YRPUOMCYNKQNHC-HZPDHXFCSA-N 0 3 272.392 2.487 10 0 CEAEHN Cc1nn(C)c(Cl)c1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000227704888 153351005 /nfs/dbraw/zinc/35/10/05/153351005.db2.gz UZBGJJQIEPGCQX-DGCLKSJQSA-N 0 3 296.846 2.441 10 0 CEAEHN CN1CCNC[C@@H]1c1noc([C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000263214945 154033652 /nfs/dbraw/zinc/03/36/52/154033652.db2.gz KSNATWZBFPIXRV-HZSPNIEDSA-N 0 3 290.411 2.330 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2ccc(F)cc2Cl)n1 ZINC000263246515 154042673 /nfs/dbraw/zinc/04/26/73/154042673.db2.gz PIEZVUALAQVTQZ-NSHDSACASA-N 0 3 296.733 2.105 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@H](C)CC(C)C)C1 ZINC000263530072 154118031 /nfs/dbraw/zinc/11/80/31/154118031.db2.gz WAHIGALOYFEALK-IYXRBSQSSA-N 0 3 270.417 2.196 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@H](C)CC(C)C)C1 ZINC000263530072 154118035 /nfs/dbraw/zinc/11/80/35/154118035.db2.gz WAHIGALOYFEALK-IYXRBSQSSA-N 0 3 270.417 2.196 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@H](C)CC(C)C)C1 ZINC000263530072 154118042 /nfs/dbraw/zinc/11/80/42/154118042.db2.gz WAHIGALOYFEALK-IYXRBSQSSA-N 0 3 270.417 2.196 10 0 CEAEHN CCCN(C(=O)N[C@H]1CCCN(CC)C1)C1CC1 ZINC000171430597 162384663 /nfs/dbraw/zinc/38/46/63/162384663.db2.gz WSIQBFKXVMPOEL-LBPRGKRZSA-N 0 3 253.390 2.055 10 0 CEAEHN O=C(NCc1ccc2c(c1)CNC2)c1ccc(Cl)cn1 ZINC000134525631 165030300 /nfs/dbraw/zinc/03/03/00/165030300.db2.gz FPKMYZCKBZCDMZ-UHFFFAOYSA-N 0 3 287.750 2.268 10 0 CEAEHN O=C(NCc1cc2ccccc2o1)N1CCN2CCC[C@@H]2C1 ZINC000171902486 165055376 /nfs/dbraw/zinc/05/53/76/165055376.db2.gz ZAEHLQRPGIXMGI-CQSZACIVSA-N 0 3 299.374 2.422 10 0 CEAEHN CCC[C@H](C)CS(=O)(=O)N(C)C[C@@H]1CCCN1CC ZINC000175399368 165134562 /nfs/dbraw/zinc/13/45/62/165134562.db2.gz QLCUCYMSKJPASL-KBPBESRZSA-N 0 3 290.473 2.169 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000177696021 165207712 /nfs/dbraw/zinc/20/77/12/165207712.db2.gz QAJNZTNPNIFCET-JKSUJKDBSA-N 0 3 297.487 2.436 10 0 CEAEHN CCCc1cnc(NC(=O)N2CCN3CCC[C@@H]3C2)s1 ZINC000180848313 165320409 /nfs/dbraw/zinc/32/04/09/165320409.db2.gz RKMDQGILYUPOIF-LLVKDONJSA-N 0 3 294.424 2.408 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)CSC(F)(F)F ZINC000246983342 287226330 /nfs/dbraw/zinc/22/63/30/287226330.db2.gz OQCPTXDRYPEYLH-ZJUUUORDSA-N 0 3 296.358 2.325 10 0 CEAEHN CCOc1ccc([C@H](N)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000019842561 170890453 /nfs/dbraw/zinc/89/04/53/170890453.db2.gz GXQQAQDDGHAGHO-HNNXBMFYSA-N 0 3 283.331 2.303 10 0 CEAEHN CCC(CC)NCC(=O)Nc1ccc(OC)cc1 ZINC000020037290 170974757 /nfs/dbraw/zinc/97/47/57/170974757.db2.gz XGMNGADVSAXYNV-UHFFFAOYSA-N 0 3 250.342 2.412 10 0 CEAEHN NC[C@@H](c1c(F)cccc1F)N1CCSCC1 ZINC000020257019 171111556 /nfs/dbraw/zinc/11/15/56/171111556.db2.gz OACJEDYSRKZQGH-NSHDSACASA-N 0 3 258.337 2.013 10 0 CEAEHN CCc1ccc([C@H](CN)N2CCSCC2)cc1 ZINC000020257023 171111853 /nfs/dbraw/zinc/11/18/53/171111853.db2.gz RPRNVUPLUNAMBT-AWEZNQCLSA-N 0 3 250.411 2.298 10 0 CEAEHN Cc1c(CN)nnn1-c1ccc(Cl)cc1Cl ZINC000020391534 171180038 /nfs/dbraw/zinc/18/00/38/171180038.db2.gz XGAUZODZYZCVFK-UHFFFAOYSA-N 0 3 257.124 2.341 10 0 CEAEHN CCN1CCN([C@@H](CN)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000022171362 171368220 /nfs/dbraw/zinc/36/82/20/171368220.db2.gz QQVSWBGWKATTBR-IHRRRGAJSA-N 0 3 277.412 2.040 10 0 CEAEHN C[C@H]1[C@H](NS(=O)(=O)c2cccc(CN)c2)CCC[C@@H]1C ZINC000022173422 171369311 /nfs/dbraw/zinc/36/93/11/171369311.db2.gz BFQDKNSJDNTJNV-YWPYICTPSA-N 0 3 296.436 2.248 10 0 CEAEHN CCCN1CCN(C[C@@H](N)c2cc(C)ccc2OC)CC1 ZINC000022565333 171391538 /nfs/dbraw/zinc/39/15/38/171391538.db2.gz HFGDRCLEZVHSHJ-MRXNPFEDSA-N 0 3 291.439 2.031 10 0 CEAEHN CN(C)CCN[C@H](c1ccccc1)c1ccncc1 ZINC000035174608 172027840 /nfs/dbraw/zinc/02/78/40/172027840.db2.gz QYAQSLXXCDWBEU-MRXNPFEDSA-N 0 3 255.365 2.322 10 0 CEAEHN CN[C@@H](CC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488651 172223620 /nfs/dbraw/zinc/22/36/20/172223620.db2.gz OGEQLMJAKQIING-VIFPVBQESA-N 0 3 259.231 2.069 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@H](N)[C@@H](c2cccc(F)c2)C1 ZINC000035571747 172267062 /nfs/dbraw/zinc/26/70/62/172267062.db2.gz PODWONBIEUIEAX-OLZOCXBDSA-N 0 3 280.343 2.487 10 0 CEAEHN CCN[C@@H](C)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000035632781 172315827 /nfs/dbraw/zinc/31/58/27/172315827.db2.gz WIDXROTVDQZGGB-LBPRGKRZSA-N 0 3 284.425 2.388 10 0 CEAEHN CCNCc1cc(Cl)cc(Cl)c1OCCO ZINC000035662091 172340147 /nfs/dbraw/zinc/34/01/47/172340147.db2.gz NRSQSJVSEBAOMV-UHFFFAOYSA-N 0 3 264.152 2.474 10 0 CEAEHN CCCN[C@@H]1c2cc(F)ccc2S(=O)(=O)C[C@@H]1C ZINC000035761539 172399233 /nfs/dbraw/zinc/39/92/33/172399233.db2.gz RMGUOEITKDEHOK-ZANVPECISA-N 0 3 271.357 2.290 10 0 CEAEHN CN[C@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@@H]1C ZINC000035760917 172399245 /nfs/dbraw/zinc/39/92/45/172399245.db2.gz VJZSNXQNUZJVEL-WRWORJQWSA-N 0 3 259.758 2.024 10 0 CEAEHN CN[C@H]1c2cccc(Cl)c2S(=O)(=O)C[C@H]1C ZINC000035761270 172399615 /nfs/dbraw/zinc/39/96/15/172399615.db2.gz WVNXRWIUNKBVDK-GMSGAONNSA-N 0 3 259.758 2.024 10 0 CEAEHN Cc1csc2nc(C)c(CNC[C@H]3CCCO3)n12 ZINC000037215146 173035165 /nfs/dbraw/zinc/03/51/65/173035165.db2.gz LIFOHQPFWURNKK-LLVKDONJSA-N 0 3 265.382 2.281 10 0 CEAEHN C=COCCCNCc1c(OC)nc2sccn21 ZINC000037239183 173055744 /nfs/dbraw/zinc/05/57/44/173055744.db2.gz XBWZSYJTDRMFAT-UHFFFAOYSA-N 0 3 267.354 2.044 10 0 CEAEHN CC[C@@H](NCC(=O)NC)c1cccc(Br)c1 ZINC000037254051 173064990 /nfs/dbraw/zinc/06/49/90/173064990.db2.gz OJGVNXFAHPTHMO-LLVKDONJSA-N 0 3 285.185 2.236 10 0 CEAEHN COc1nc2sccn2c1CN[C@H](C)C1CC1 ZINC000037259365 173069720 /nfs/dbraw/zinc/06/97/20/173069720.db2.gz YVNYGKSJVRFUDA-MRVPVSSYSA-N 0 3 251.355 2.293 10 0 CEAEHN CC(C)[C@@H](NC(=O)CNC1CC1)c1ccc(F)cc1 ZINC000037395406 173175694 /nfs/dbraw/zinc/17/56/94/173175694.db2.gz OKZOIOXOLHKYEG-OAHLLOKOSA-N 0 3 264.344 2.391 10 0 CEAEHN COc1cc(CN[C@@H](C)[C@@H]2CCCO2)cc2c1OCCO2 ZINC000037408436 173184574 /nfs/dbraw/zinc/18/45/74/173184574.db2.gz AEBAYTIAMJWCIG-AAEUAGOBSA-N 0 3 293.363 2.124 10 0 CEAEHN COc1cc(CN[C@H](C)[C@@H]2CCCO2)cc2c1OCCO2 ZINC000037408437 173184809 /nfs/dbraw/zinc/18/48/09/173184809.db2.gz AEBAYTIAMJWCIG-YPMHNXCESA-N 0 3 293.363 2.124 10 0 CEAEHN CCN(CC)c1ncc(CNCCCC(=O)OC)s1 ZINC000037416422 173193474 /nfs/dbraw/zinc/19/34/74/173193474.db2.gz TXRFZKORRBNQIT-UHFFFAOYSA-N 0 3 285.413 2.032 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc3c(cccc3Cl)[nH]2)C1 ZINC000037443843 173211864 /nfs/dbraw/zinc/21/18/64/173211864.db2.gz CCQIBJVIMAXOIU-GMSGAONNSA-N 0 3 251.717 2.266 10 0 CEAEHN CCN(Cc1ccc(Br)s1)C(=O)CNC ZINC000037495885 173234736 /nfs/dbraw/zinc/23/47/36/173234736.db2.gz GVJLLRLLAUICDY-UHFFFAOYSA-N 0 3 291.214 2.079 10 0 CEAEHN O=C(CNCC1CC1)Nc1cc2c(cc1Cl)OCO2 ZINC000037612857 173560384 /nfs/dbraw/zinc/56/03/84/173560384.db2.gz WGALIIVYQLDLQD-UHFFFAOYSA-N 0 3 282.727 2.007 10 0 CEAEHN Cc1cccc(C(=O)N(CC[NH3+])Cc2ccccc2)c1[O-] ZINC000038033059 174029417 /nfs/dbraw/zinc/02/94/17/174029417.db2.gz JORPCLIEDDWCCX-UHFFFAOYSA-N 0 3 284.359 2.302 10 0 CEAEHN CSCC[C@H](N)C(=O)N(Cc1cccs1)C1CC1 ZINC000040467318 174275737 /nfs/dbraw/zinc/27/57/37/174275737.db2.gz OQLMVORKXUIYCS-LBPRGKRZSA-N 0 3 284.450 2.320 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000040629721 174357584 /nfs/dbraw/zinc/35/75/84/174357584.db2.gz PZWDJMGNFUWRCE-SWLSCSKDSA-N 0 3 270.332 2.155 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000040630238 174357807 /nfs/dbraw/zinc/35/78/07/174357807.db2.gz ZWLZGWPVQPSQHU-KBPBESRZSA-N 0 3 262.353 2.125 10 0 CEAEHN CC[C@H](C)N[C@@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666556 174366398 /nfs/dbraw/zinc/36/63/98/174366398.db2.gz VFMDHZNDAXKHSO-SMDDNHRTSA-N 0 3 264.369 2.388 10 0 CEAEHN CCOC1CCN(Cc2cc(N)ccc2OC)CC1 ZINC000040678338 174374198 /nfs/dbraw/zinc/37/41/98/174374198.db2.gz ZFLLPGJJYRQDRS-UHFFFAOYSA-N 0 3 264.369 2.278 10 0 CEAEHN CCOC1CCN([C@H](CN)c2ccccc2OC)CC1 ZINC000040689122 174376086 /nfs/dbraw/zinc/37/60/86/174376086.db2.gz WBNXEWOIPIYCCH-OAHLLOKOSA-N 0 3 278.396 2.196 10 0 CEAEHN Cc1c(C)n([C@H]2CCCN(C)C2)c2nc(C)nc(N)c12 ZINC000040716087 174383746 /nfs/dbraw/zinc/38/37/46/174383746.db2.gz XERNSVIQSCOGLN-LBPRGKRZSA-N 0 3 273.384 2.205 10 0 CEAEHN O=C(CNC1CCCC1)Nc1cccc(-c2nnco2)c1 ZINC000040829182 174411297 /nfs/dbraw/zinc/41/12/97/174411297.db2.gz VJMSJOSIIAPCJF-UHFFFAOYSA-N 0 3 286.335 2.207 10 0 CEAEHN CC(C)(N)c1cn(CCCCc2ccccc2)nn1 ZINC000122315555 414788587 /nfs/dbraw/zinc/78/85/87/414788587.db2.gz BHEXPFMZKSUSON-UHFFFAOYSA-N 0 3 258.369 2.495 10 0 CEAEHN CC(C)(N)c1cn(CCOc2cccc(Cl)c2)nn1 ZINC000070118456 414765143 /nfs/dbraw/zinc/76/51/43/414765143.db2.gz BUEKRNPAXXBPJB-UHFFFAOYSA-N 0 3 280.759 2.204 10 0 CEAEHN O[C@@H]1CCN[C@H](c2ccc(Br)cc2)C1 ZINC000041326349 174522693 /nfs/dbraw/zinc/52/26/93/174522693.db2.gz GRVIFCLXQLJTDN-MNOVXSKESA-N 0 3 256.143 2.235 10 0 CEAEHN CN(C(=O)c1ccc(Cl)cc1)[C@@H](CN)C(F)(F)F ZINC000662974974 414815745 /nfs/dbraw/zinc/81/57/45/414815745.db2.gz CHVOYGHSFZZBKU-VIFPVBQESA-N 0 3 280.677 2.302 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@H](CN)C(F)(F)F)cc1F ZINC000662977986 414816402 /nfs/dbraw/zinc/81/64/02/414816402.db2.gz NFQKKBWMRPGWIV-SNVBAGLBSA-N 0 3 278.249 2.096 10 0 CEAEHN CN(C(=O)c1cc(Cl)ccc1F)[C@H](CN)C(F)(F)F ZINC000662980117 414817179 /nfs/dbraw/zinc/81/71/79/414817179.db2.gz ZVQJGYGLYMCDCD-SECBINFHSA-N 0 3 298.667 2.441 10 0 CEAEHN CCc1ccsc1C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662979308 414817260 /nfs/dbraw/zinc/81/72/60/414817260.db2.gz LCEZEFPERSTPSH-QMMMGPOBSA-N 0 3 280.315 2.272 10 0 CEAEHN COc1cc(Cl)c(C)cc1NC(=O)C1(N)CCOCC1 ZINC000132057572 414819938 /nfs/dbraw/zinc/81/99/38/414819938.db2.gz GBVVTNLBELTXIH-UHFFFAOYSA-N 0 3 298.770 2.103 10 0 CEAEHN Cc1c[nH]c(CN[C@@H](C)CN(C)Cc2ccccc2)n1 ZINC000657429712 414931363 /nfs/dbraw/zinc/93/13/63/414931363.db2.gz ULTFYZLZFMIKLL-AWEZNQCLSA-N 0 3 272.396 2.328 10 0 CEAEHN O=S1CCC(NCc2nc3ccccc3s2)CC1 ZINC000042336034 174688977 /nfs/dbraw/zinc/68/89/77/174688977.db2.gz PIVRJIFTYUKRQW-UHFFFAOYSA-N 0 3 280.418 2.297 10 0 CEAEHN CC(C)(C)n1cc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cn1 ZINC000660805491 414982137 /nfs/dbraw/zinc/98/21/37/414982137.db2.gz CSJKOLHSRQWDOX-SOUVJXGZSA-N 0 3 277.412 2.231 10 0 CEAEHN CNCc1cc(F)ccc1N(CCOC)[C@H](C)COC ZINC000042609312 174822258 /nfs/dbraw/zinc/82/22/58/174822258.db2.gz ORVVDRZDFSTRDM-GFCCVEGCSA-N 0 3 284.375 2.033 10 0 CEAEHN CN[C@@H](c1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300640 175001342 /nfs/dbraw/zinc/00/13/42/175001342.db2.gz NIYFPKJKWMNLMQ-DZGCQCFKSA-N 0 3 281.421 2.307 10 0 CEAEHN CN[C@@H](c1ccc(OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300711 175001643 /nfs/dbraw/zinc/00/16/43/175001643.db2.gz DWAFASZVPPBHGO-ZFWWWQNUSA-N 0 3 297.420 2.169 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cc(OC)ccc1Cl ZINC000043318632 175005707 /nfs/dbraw/zinc/00/57/07/175005707.db2.gz KKLGFHRGHMUXSQ-SNVBAGLBSA-N 0 3 256.733 2.415 10 0 CEAEHN Cc1c(F)cccc1NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000043322084 175006090 /nfs/dbraw/zinc/00/60/90/175006090.db2.gz AELORXRYPDGCHE-AWEZNQCLSA-N 0 3 288.322 2.348 10 0 CEAEHN COc1cccc(CN(C)[C@@H](CN)c2ccncc2)c1 ZINC000043354033 175021410 /nfs/dbraw/zinc/02/14/10/175021410.db2.gz CMYIGXMWMBNSBW-INIZCTEOSA-N 0 3 271.364 2.222 10 0 CEAEHN Cc1ccc([C@H]([C@@H](C)N)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000043363671 175024221 /nfs/dbraw/zinc/02/42/21/175024221.db2.gz ZPGUZNUGBZIOPP-CZXHOFHRSA-N 0 3 252.358 2.086 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)o1)N(CC)CC(=O)NC(C)C ZINC000043364987 175025299 /nfs/dbraw/zinc/02/52/99/175025299.db2.gz BNJATFIBMKIPRS-CJNGLKHVSA-N 0 3 295.427 2.213 10 0 CEAEHN Cc1ccc([C@@H]([C@@H](C)N)N(C)C[C@@H]2CCCCO2)o1 ZINC000043364768 175025372 /nfs/dbraw/zinc/02/53/72/175025372.db2.gz KQUSRMTULMPPEA-VNHYZAJKSA-N 0 3 266.385 2.477 10 0 CEAEHN Cc1ccc([C@H]([C@@H](C)N)N(C)C[C@@H]2CCCCO2)o1 ZINC000043364769 175025587 /nfs/dbraw/zinc/02/55/87/175025587.db2.gz KQUSRMTULMPPEA-IPYPFGDCSA-N 0 3 266.385 2.477 10 0 CEAEHN CN[C@@H](CN(C)C(C)C)c1cc(OC)ccc1OC ZINC000043813117 175110627 /nfs/dbraw/zinc/11/06/27/175110627.db2.gz OXOQGMNXMBUVBN-AWEZNQCLSA-N 0 3 266.385 2.305 10 0 CEAEHN CN[C@H](CN1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000043814061 175111959 /nfs/dbraw/zinc/11/19/59/175111959.db2.gz SZGNKSVHMMRCFO-CQSZACIVSA-N 0 3 278.396 2.450 10 0 CEAEHN CCCN(C)C[C@@H](NC)c1cc(OC)ccc1OC ZINC000043885883 175116744 /nfs/dbraw/zinc/11/67/44/175116744.db2.gz KLDLZUMQZNMYAB-CQSZACIVSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N1CCC(OC)CC1 ZINC000043890282 175118143 /nfs/dbraw/zinc/11/81/43/175118143.db2.gz CTCFTMJINUBHIK-NVXWUHKLSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@@H]1N(C)Cc1ccncc1 ZINC000043893954 175119335 /nfs/dbraw/zinc/11/93/35/175119335.db2.gz QYLWRZWLSOLVTC-RDJZCZTQSA-N 0 3 283.375 2.235 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N1CCOC[C@@H]1CC ZINC000043899261 175121848 /nfs/dbraw/zinc/12/18/48/175121848.db2.gz YWTMHFPXOWYTRF-LXZKKBNFSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@@H](CN1CCOCC1(C)C)c1ccccc1OC ZINC000043916979 175125552 /nfs/dbraw/zinc/12/55/52/175125552.db2.gz XEIIFXQPYNIUKQ-HNNXBMFYSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@H](CN(C)[C@@H](C)COC)c1ccccc1OC ZINC000043969190 175130584 /nfs/dbraw/zinc/13/05/84/175130584.db2.gz YWJUQOJBLJLSHO-DZGCQCFKSA-N 0 3 280.412 2.313 10 0 CEAEHN Cn1cc(CN[C@H]2CCCc3cc(O)ccc32)cn1 ZINC000044747499 175243185 /nfs/dbraw/zinc/24/31/85/175243185.db2.gz CIGYUYBHIPJYBW-HNNXBMFYSA-N 0 3 257.337 2.293 10 0 CEAEHN COc1ccccc1NC(=O)[C@H](CN)Cc1ccccc1 ZINC000044797565 175254583 /nfs/dbraw/zinc/25/45/83/175254583.db2.gz AVSUBHNSEBTAMY-AWEZNQCLSA-N 0 3 284.359 2.451 10 0 CEAEHN CC[C@H]1CCCN1C(=O)[C@H](CN)Cc1ccccc1 ZINC000044803286 175256068 /nfs/dbraw/zinc/25/60/68/175256068.db2.gz AADORWSRBHIIOB-GJZGRUSLSA-N 0 3 260.381 2.205 10 0 CEAEHN CC(C)CN(C(=O)[C@@H](CN)Cc1ccccc1)C1CC1 ZINC000044807567 175257073 /nfs/dbraw/zinc/25/70/73/175257073.db2.gz BGOYPOOFPQYMTN-OAHLLOKOSA-N 0 3 274.408 2.451 10 0 CEAEHN CCN(C[C@@](C)(NC)C(N)=O)c1cccc2ccccc21 ZINC000045222929 175330895 /nfs/dbraw/zinc/33/08/95/175330895.db2.gz YYQOKQPSYOGRQD-QGZVFWFLSA-N 0 3 285.391 2.130 10 0 CEAEHN CCCCN(CC)CC[C@@](C)([NH2+]CCC)C(=O)[O-] ZINC000045223348 175331515 /nfs/dbraw/zinc/33/15/15/175331515.db2.gz MQLRPWXUSUKHEW-CQSZACIVSA-N 0 3 258.406 2.341 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231865 175335827 /nfs/dbraw/zinc/33/58/27/175335827.db2.gz FUSOXYJGYXOKBH-YDHLFZDLSA-N 0 3 270.417 2.482 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)C1CCCC1)NC(C)C ZINC000045266183 175339061 /nfs/dbraw/zinc/33/90/61/175339061.db2.gz FTTYGCVHKWGBCS-HNNXBMFYSA-N 0 3 270.417 2.181 10 0 CEAEHN CCC[N@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C(C)C ZINC000045266884 175339327 /nfs/dbraw/zinc/33/93/27/175339327.db2.gz MNVINPXIWPDUPJ-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CCC[N@@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C(C)C ZINC000045266884 175339328 /nfs/dbraw/zinc/33/93/28/175339328.db2.gz MNVINPXIWPDUPJ-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CC[NH2+][C@@](C)(CCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000045378771 175368549 /nfs/dbraw/zinc/36/85/49/175368549.db2.gz CJROJGSSRYBNMM-KRWDZBQOSA-N 0 3 290.407 2.278 10 0 CEAEHN COc1ccc([C@@H](C)NC2CC(CO)C2)c(F)c1 ZINC000658351591 415334431 /nfs/dbraw/zinc/33/44/31/415334431.db2.gz PBDMMEJTNAFGFB-KPPDAEKUSA-N 0 3 253.317 2.256 10 0 CEAEHN Cc1nn(Cc2cccc(Br)c2)cc1CN ZINC000070708154 176002248 /nfs/dbraw/zinc/00/22/48/176002248.db2.gz AJOVWKHYMNDXQO-UHFFFAOYSA-N 0 3 280.169 2.461 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000070824410 176007463 /nfs/dbraw/zinc/00/74/63/176007463.db2.gz LQSHSPTYSMJVAR-MWLCHTKSSA-N 0 3 259.136 2.272 10 0 CEAEHN CC[C@@](C)(CO)[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000070898662 176010697 /nfs/dbraw/zinc/01/06/97/176010697.db2.gz UVVVUAKZSZRCJY-LBPRGKRZSA-N 0 3 288.185 2.405 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c(F)cccc1F ZINC000070987289 176018438 /nfs/dbraw/zinc/01/84/38/176018438.db2.gz OZVBJVISSQVGKD-RISCZKNCSA-N 0 3 266.291 2.118 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cc(F)ccc1F ZINC000070987358 176018465 /nfs/dbraw/zinc/01/84/65/176018465.db2.gz ROZAQEGUJDQPLC-OCCSQVGLSA-N 0 3 266.291 2.118 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1cc(F)ccc1F ZINC000070987363 176018509 /nfs/dbraw/zinc/01/85/09/176018509.db2.gz ROZAQEGUJDQPLC-JSGCOSHPSA-N 0 3 266.291 2.118 10 0 CEAEHN Cc1cc(C)cc([C@@H]2[C@H](N)CCC(=O)N2C2CC2)c1 ZINC000070987560 176018640 /nfs/dbraw/zinc/01/86/40/176018640.db2.gz RAXXFKQRTHRWMQ-GDBMZVCRSA-N 0 3 258.365 2.457 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000070987219 176018797 /nfs/dbraw/zinc/01/87/97/176018797.db2.gz GYHKJSJDZFKJOU-OCCSQVGLSA-N 0 3 266.291 2.118 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc(Cl)cc1 ZINC000071032590 176023658 /nfs/dbraw/zinc/02/36/58/176023658.db2.gz KNJCFUBUAXQWSP-GFCCVEGCSA-N 0 3 250.729 2.197 10 0 CEAEHN CCN[C@H]1CCN(c2nc(C(C)(C)C)cs2)C1=O ZINC000071034804 176024829 /nfs/dbraw/zinc/02/48/29/176024829.db2.gz GFELGWUWINAHNX-VIFPVBQESA-N 0 3 267.398 2.155 10 0 CEAEHN Cc1cc(C)c(N2CC[C@H](NC3CC3)C2=O)c(C)c1 ZINC000071035788 176025172 /nfs/dbraw/zinc/02/51/72/176025172.db2.gz DUYOLRUTDFQDNX-AWEZNQCLSA-N 0 3 258.365 2.469 10 0 CEAEHN C[C@H](Cc1ccsc1)N1CCC[C@H](NC2CC2)C1=O ZINC000071035434 176025329 /nfs/dbraw/zinc/02/53/29/176025329.db2.gz GGARVPJNALLYHV-RISCZKNCSA-N 0 3 278.421 2.422 10 0 CEAEHN Cc1ccc([C@H](C)N2CC[C@@H](NC3CC3)C2=O)cc1 ZINC000071036618 176026163 /nfs/dbraw/zinc/02/61/63/176026163.db2.gz VFYJKCFGTNLZFW-SWLSCSKDSA-N 0 3 258.365 2.409 10 0 CEAEHN CCOC(=O)c1ncsc1N[C@H](CN(C)C)C(C)C ZINC000071202096 176078243 /nfs/dbraw/zinc/07/82/43/176078243.db2.gz HYEIVTXDZPAQBY-SNVBAGLBSA-N 0 3 285.413 2.318 10 0 CEAEHN CN1CCC(C[N@H+](C)Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000071265163 176098825 /nfs/dbraw/zinc/09/88/25/176098825.db2.gz VZNASVWZTZEQNE-UHFFFAOYSA-N 0 3 294.370 2.298 10 0 CEAEHN CN1CCC(C[N@@H+](C)Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000071265163 176098827 /nfs/dbraw/zinc/09/88/27/176098827.db2.gz VZNASVWZTZEQNE-UHFFFAOYSA-N 0 3 294.370 2.298 10 0 CEAEHN CN(C)c1ccncc1NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335567 176126841 /nfs/dbraw/zinc/12/68/41/176126841.db2.gz YAYYDQDHHHTMNX-UHFFFAOYSA-N 0 3 292.383 2.179 10 0 CEAEHN Cc1ccc(N)c(CN2CCN(CC(C)C)CC2)c1 ZINC000071384051 176146932 /nfs/dbraw/zinc/14/69/32/176146932.db2.gz RMKJHXNVULNOOQ-UHFFFAOYSA-N 0 3 261.413 2.351 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@@H](C)C(=O)NC1CC1 ZINC000071406066 176155864 /nfs/dbraw/zinc/15/58/64/176155864.db2.gz OBOGIGOFDUSNCT-LBPRGKRZSA-N 0 3 276.380 2.150 10 0 CEAEHN COC[C@H](N)c1ccc(OC)c(Br)c1 ZINC000071585895 176211855 /nfs/dbraw/zinc/21/18/55/176211855.db2.gz VOGPLRCMUUHOQC-VIFPVBQESA-N 0 3 260.131 2.104 10 0 CEAEHN CCNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000071600846 176227113 /nfs/dbraw/zinc/22/71/13/176227113.db2.gz ZIJQGJQQFREDIH-UHFFFAOYSA-N 0 3 269.410 2.367 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CCO[C@@H]1CC1(F)F ZINC000659996165 415835744 /nfs/dbraw/zinc/83/57/44/415835744.db2.gz YGGRQJIWFMWAHJ-HZSPNIEDSA-N 0 3 288.382 2.359 10 0 CEAEHN CCOc1cc(C)c([C@@H](C)NC(=O)CNC)cc1C ZINC000076368860 177005930 /nfs/dbraw/zinc/00/59/30/177005930.db2.gz YMXCCOTVQKVWDH-GFCCVEGCSA-N 0 3 264.369 2.099 10 0 CEAEHN CNCC(=O)N[C@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000076398990 177015649 /nfs/dbraw/zinc/01/56/49/177015649.db2.gz PTSYASITWLNKED-SNVBAGLBSA-N 0 3 268.332 2.010 10 0 CEAEHN CN[C@H](C)c1cn2cc(Br)ccc2n1 ZINC000076790309 177095917 /nfs/dbraw/zinc/09/59/17/177095917.db2.gz XKQOKPVLQMWQHZ-SSDOTTSWSA-N 0 3 254.131 2.377 10 0 CEAEHN CC(C)CCS(=O)(=O)Cc1cccc(CN)c1 ZINC000076981378 177137388 /nfs/dbraw/zinc/13/73/88/177137388.db2.gz CWYSXHSHRDOYDR-UHFFFAOYSA-N 0 3 255.383 2.106 10 0 CEAEHN Cc1nn(C)c(Cl)c1CNC[C@H]1CCCC[C@H]1O ZINC000077466285 177272064 /nfs/dbraw/zinc/27/20/64/177272064.db2.gz ACSYTSQOERJAGK-ZYHUDNBSSA-N 0 3 271.792 2.023 10 0 CEAEHN Cn1ccnc1CCNCc1cccc2c1OC(C)(C)C2 ZINC000078005884 177316774 /nfs/dbraw/zinc/31/67/74/177316774.db2.gz VVNDOPAMBYMHJK-UHFFFAOYSA-N 0 3 285.391 2.466 10 0 CEAEHN O=C(CNCC1(O)CCCCC1)Nc1ccc(F)cc1 ZINC000078515522 177348953 /nfs/dbraw/zinc/34/89/53/177348953.db2.gz ARVAOSURONDSSX-UHFFFAOYSA-N 0 3 280.343 2.049 10 0 CEAEHN CCN(CC(C)C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000194176482 270293824 /nfs/dbraw/zinc/29/38/24/270293824.db2.gz ZDWWSXXPHSHUIU-ZDUSSCGKSA-N 0 3 255.406 2.158 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccoc1 ZINC000194191721 270294223 /nfs/dbraw/zinc/29/42/23/270294223.db2.gz NTRXFKJUYHKGSG-CYBMUJFWSA-N 0 3 267.373 2.055 10 0 CEAEHN Cc1csc2c1ncnc2N1C[C@H](C)NC[C@@H]1C ZINC000222273523 274832529 /nfs/dbraw/zinc/83/25/29/274832529.db2.gz UKDDFANVIKAENP-UWVGGRQHSA-N 0 3 262.382 2.186 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000037413642 276043486 /nfs/dbraw/zinc/04/34/86/276043486.db2.gz FPRCDSAQQAZYNJ-JTQLQIEISA-N 0 3 264.325 2.260 10 0 CEAEHN CN(C)[C@@H]1CCN(c2nnc(-c3ccccc3)s2)C1 ZINC000170844079 276783571 /nfs/dbraw/zinc/78/35/71/276783571.db2.gz ZSKSNAJPTBDUOI-GFCCVEGCSA-N 0 3 274.393 2.345 10 0 CEAEHN CN1C[C@H](c2ccccc2)CC12CC[NH+](CC(=O)[O-])CC2 ZINC000095519558 277205849 /nfs/dbraw/zinc/20/58/49/277205849.db2.gz UCOCJIDVHJOHOF-OAHLLOKOSA-N 0 3 288.391 2.025 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H]1CCC=CO1 ZINC000248824569 277368936 /nfs/dbraw/zinc/36/89/36/277368936.db2.gz FUJIBLNRUMOTIZ-XQLPTFJDSA-N 0 3 279.380 2.485 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(Cl)ccn1 ZINC000037991413 277479588 /nfs/dbraw/zinc/47/95/88/277479588.db2.gz WVLGUUQSFUMERR-GFCCVEGCSA-N 0 3 283.803 2.441 10 0 CEAEHN C[C@H]1C[C@H]1NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115674942 278502018 /nfs/dbraw/zinc/50/20/18/278502018.db2.gz ZVDORPXRMAGSPY-OOJKYFRXSA-N 0 3 279.428 2.301 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000282244844 278509482 /nfs/dbraw/zinc/50/94/82/278509482.db2.gz GEXAOCFNUIVURV-SKDRFNHKSA-N 0 3 286.297 2.462 10 0 CEAEHN O=C(NCc1ccc2c(c1)CNC2)c1ccc(Cl)o1 ZINC000134527612 280025132 /nfs/dbraw/zinc/02/51/32/280025132.db2.gz WUIRRNPIGSAHOQ-UHFFFAOYSA-N 0 3 276.723 2.466 10 0 CEAEHN CCc1cccc(CN2CCN(C[C@@H](O)CC)CC2)c1 ZINC000189449150 280150165 /nfs/dbraw/zinc/15/01/65/280150165.db2.gz HUADESYGXMUZHO-KRWDZBQOSA-N 0 3 276.424 2.138 10 0 CEAEHN C[C@H](CCS(C)(=O)=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000245602658 280252849 /nfs/dbraw/zinc/25/28/49/280252849.db2.gz GNLHFYFFOIPNIL-ZOWXZIJZSA-N 0 3 281.421 2.333 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000245891346 280264507 /nfs/dbraw/zinc/26/45/07/280264507.db2.gz JPLWMVZQWARAII-RDBSUJKOSA-N 0 3 267.417 2.158 10 0 CEAEHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000246120529 280275172 /nfs/dbraw/zinc/27/51/72/280275172.db2.gz VFQGTBBTNGLRIB-RFQIPJPRSA-N 0 3 267.417 2.157 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000246160925 280277681 /nfs/dbraw/zinc/27/76/81/280277681.db2.gz KSRMWSUPDTWUMK-TZMCWYRMSA-N 0 3 279.428 2.443 10 0 CEAEHN CC[C@@H]1CCC[C@@H](NC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247221497 280286983 /nfs/dbraw/zinc/28/69/83/280286983.db2.gz OEGKSVWPVJFGEJ-KFWWJZLASA-N 0 3 279.428 2.445 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246588183 280302744 /nfs/dbraw/zinc/30/27/44/280302744.db2.gz YPTJWHDBPDEHCN-TZMCWYRMSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246588183 280302747 /nfs/dbraw/zinc/30/27/47/280302747.db2.gz YPTJWHDBPDEHCN-TZMCWYRMSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1ccc2nccc(N3CC[C@H](N4CCOCC4)C3)c2c1 ZINC000185736434 281170280 /nfs/dbraw/zinc/17/02/80/281170280.db2.gz ALUYSYMZOJEAPL-HNNXBMFYSA-N 0 3 297.402 2.454 10 0 CEAEHN CC[C@](C)(O)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000162051234 281292760 /nfs/dbraw/zinc/29/27/60/281292760.db2.gz OZELFFGQGUMXHK-DLBZAZTESA-N 0 3 275.392 2.321 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccoc1C ZINC000247077639 288317247 /nfs/dbraw/zinc/31/72/47/288317247.db2.gz ZCCJIRVPGUCUAV-STQMWFEESA-N 0 3 262.353 2.287 10 0 CEAEHN CCc1ccc([C@H](C)NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000236977333 281423570 /nfs/dbraw/zinc/42/35/70/281423570.db2.gz UFKWZWPBVFILQA-XJKSGUPXSA-N 0 3 290.407 2.195 10 0 CEAEHN C[C@@H](OC1CCCCCC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000154433760 289145276 /nfs/dbraw/zinc/14/52/76/289145276.db2.gz JUBXWCZULQWZFA-KGLIPLIRSA-N 0 3 282.428 2.277 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1ccc(F)c(F)c1 ZINC000154659328 289152118 /nfs/dbraw/zinc/15/21/18/289152118.db2.gz FJDFRYFOGJUYTG-ZDUSSCGKSA-N 0 3 296.361 2.450 10 0 CEAEHN CN(C)C[C@H]1CN(CC2CCCCCC2)CCO1 ZINC000128228743 289218268 /nfs/dbraw/zinc/21/82/68/289218268.db2.gz UKBWYYKQVUZIBL-HNNXBMFYSA-N 0 3 254.418 2.219 10 0 CEAEHN Cc1ccccc1C1(C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000171567230 302086287 /nfs/dbraw/zinc/08/62/87/302086287.db2.gz FRXWMFQQVJSUOA-HNNXBMFYSA-N 0 3 284.403 2.333 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000170833828 312664802 /nfs/dbraw/zinc/66/48/02/312664802.db2.gz IEFJSMGCZSDLRB-UKRRQHHQSA-N 0 3 291.370 2.159 10 0 CEAEHN Brc1cccc(N[C@H]2CN3CCC2CC3)n1 ZINC000069017510 518222050 /nfs/dbraw/zinc/22/20/50/518222050.db2.gz WQKJBFWGROVGSK-JTQLQIEISA-N 0 3 282.185 2.350 10 0 CEAEHN CC(C)CN1CCN(c2ccc(F)cc2CO)CC1 ZINC000055080023 519728432 /nfs/dbraw/zinc/72/84/32/519728432.db2.gz BEUUEMGDVVSVIF-UHFFFAOYSA-N 0 3 266.360 2.096 10 0 CEAEHN CC(C)C1N=NC(=S)N1CCN1CCCCC1 ZINC000049575337 519890642 /nfs/dbraw/zinc/89/06/42/519890642.db2.gz AMNMYJKRRGHEOH-UHFFFAOYSA-N 0 3 254.403 2.176 10 0 CEAEHN CCCNCc1ccoc1CN1CCOC[C@@H]1CC ZINC000052481429 519958914 /nfs/dbraw/zinc/95/89/14/519958914.db2.gz BUHIGJCXDGZJHR-AWEZNQCLSA-N 0 3 266.385 2.390 10 0 CEAEHN CCCN[C@@H](CC)CS(=O)(=O)c1ccccc1 ZINC000061702704 519993691 /nfs/dbraw/zinc/99/36/91/519993691.db2.gz YJUKWFCYNSUSQA-LBPRGKRZSA-N 0 3 255.383 2.239 10 0 CEAEHN CCC[NH2+][C@@H](CCN1CCC(CCC)CC1)C(=O)[O-] ZINC000062531109 519998867 /nfs/dbraw/zinc/99/88/67/519998867.db2.gz XDEASZAIBBQHNN-AWEZNQCLSA-N 0 3 270.417 2.341 10 0 CEAEHN CCNCc1oc(CN(CCCOC)CCOC)cc1C ZINC000052543336 520028072 /nfs/dbraw/zinc/02/80/72/520028072.db2.gz SFEJKQKUQOTCPX-UHFFFAOYSA-N 0 3 298.427 2.182 10 0 CEAEHN CCN[C@@H](CCOC)c1ccc(OC)cc1OC ZINC000055232913 520090630 /nfs/dbraw/zinc/09/06/30/520090630.db2.gz AGKAGVOQNRNRKK-ZDUSSCGKSA-N 0 3 253.342 2.391 10 0 CEAEHN CCN[C@@H]1CCN([C@H]2CCCc3sccc32)C1=O ZINC000061363719 520121454 /nfs/dbraw/zinc/12/14/54/520121454.db2.gz JZVZKPSCCLMESQ-NEPJUHHUSA-N 0 3 264.394 2.336 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1cccc(CC)c1)C(N)=O ZINC000068654363 520141826 /nfs/dbraw/zinc/14/18/26/520141826.db2.gz RWELAHOQDPTQQV-WBMJQRKESA-N 0 3 278.396 2.260 10 0 CEAEHN CCCCN(CC)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069090268 520479254 /nfs/dbraw/zinc/47/92/54/520479254.db2.gz JWCSHTSZTYUCTK-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCN(C)c1nc(CC)c(CNCCOC)s1 ZINC000054996406 521519063 /nfs/dbraw/zinc/51/90/63/521519063.db2.gz KHUNOYASGWNHFM-UHFFFAOYSA-N 0 3 271.430 2.288 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccccc1N1CCCC1 ZINC000061300766 521944177 /nfs/dbraw/zinc/94/41/77/521944177.db2.gz OMAGFQWJILDQBF-UHFFFAOYSA-N 0 3 261.369 2.223 10 0 CEAEHN CNCc1cnc(N(CC(F)(F)F)C2CC2)s1 ZINC000054906163 522147145 /nfs/dbraw/zinc/14/71/45/522147145.db2.gz LOLZENRYURLGSR-UHFFFAOYSA-N 0 3 265.304 2.394 10 0 CEAEHN CNCc1oc(CN2CCCSCC2)cc1C ZINC000052371209 522162295 /nfs/dbraw/zinc/16/22/95/522162295.db2.gz YBNMCLMCAWJSGW-UHFFFAOYSA-N 0 3 254.399 2.246 10 0 CEAEHN CN[C@@H](CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000061702749 522357444 /nfs/dbraw/zinc/35/74/44/522357444.db2.gz BFOZDVAJOVVGHA-LBPRGKRZSA-N 0 3 255.383 2.094 10 0 CEAEHN CN[C@H](C)c1cnc(N(C)CCc2ccncc2)s1 ZINC000054905131 522453468 /nfs/dbraw/zinc/45/34/68/522453468.db2.gz NQEMNLPXXPOHNY-LLVKDONJSA-N 0 3 276.409 2.497 10 0 CEAEHN CN[C@H](c1ccc(OC)c(Cl)c1)[C@H]1COCCO1 ZINC000055299274 522480183 /nfs/dbraw/zinc/48/01/83/522480183.db2.gz JYDWRPQBGOATRP-CHWSQXEVSA-N 0 3 271.744 2.025 10 0 CEAEHN CCc1nccn1Cc1cc(CNC(C)(C)C)no1 ZINC000052592995 522587811 /nfs/dbraw/zinc/58/78/11/522587811.db2.gz NYRGVEXGZSGTAS-UHFFFAOYSA-N 0 3 262.357 2.370 10 0 CEAEHN C[C@H]1OCC[C@H]1NCC(=O)Nc1ccccc1Cl ZINC000149678547 534128004 /nfs/dbraw/zinc/12/80/04/534128004.db2.gz PVUCBTOXHMFCGP-MWLCHTKSSA-N 0 3 268.744 2.046 10 0 CEAEHN CC(C)(C)NCc1ccc(-n2cc(Cl)cn2)nn1 ZINC000051492768 518764019 /nfs/dbraw/zinc/76/40/19/518764019.db2.gz JAXIBCUCGVLXMT-UHFFFAOYSA-N 0 3 265.748 2.204 10 0 CEAEHN CC(=O)NCCNC1c2ccccc2Cc2ccccc21 ZINC000061669798 519667359 /nfs/dbraw/zinc/66/73/59/519667359.db2.gz YIJFSSCQDRDNQS-UHFFFAOYSA-N 0 3 280.371 2.406 10 0 CEAEHN CC(C)N1CCN([C@@H](CN)c2cc3ccccc3o2)CC1 ZINC000068811242 519682963 /nfs/dbraw/zinc/68/29/63/519682963.db2.gz RGEOGCMFAJETOB-HNNXBMFYSA-N 0 3 287.407 2.459 10 0 CEAEHN CC(C)CN1CCN(C[C@@H]2CCCCCC2=O)CC1 ZINC000055081649 519726364 /nfs/dbraw/zinc/72/63/64/519726364.db2.gz SZVGCBPPFKCVOX-HNNXBMFYSA-N 0 3 266.429 2.409 10 0 CEAEHN CC(C)NCc1cccc(N2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000051485522 519727276 /nfs/dbraw/zinc/72/72/76/519727276.db2.gz WFQRFQXNWHVVGR-LSDHHAIUSA-N 0 3 275.396 2.337 10 0 CEAEHN CC(C)NCc1cnc(N2CCOCC2(C)C)s1 ZINC000054909167 519728678 /nfs/dbraw/zinc/72/86/78/519728678.db2.gz WAIYBWWUHVXIGW-UHFFFAOYSA-N 0 3 269.414 2.256 10 0 CEAEHN CC(=O)Nc1ccc([C@@H](O)[C@H](N)c2ccccc2)cc1 ZINC000054682910 519733386 /nfs/dbraw/zinc/73/33/86/519733386.db2.gz ZLQSURNZDYZUTF-HZPDHXFCSA-N 0 3 270.332 2.378 10 0 CEAEHN CC(C)CNCc1cccc(N2CCCOCC2)n1 ZINC000061935385 519747384 /nfs/dbraw/zinc/74/73/84/519747384.db2.gz MORGVIISJGMIDB-UHFFFAOYSA-N 0 3 263.385 2.054 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NCc1cccc2c1OCCO2 ZINC000049197704 519793681 /nfs/dbraw/zinc/79/36/81/519793681.db2.gz XXJIGMIMHKNXIP-CQSZACIVSA-N 0 3 278.396 2.134 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](O)[C@H](N2CCOCC2(C)C)C1 ZINC000054558445 519803460 /nfs/dbraw/zinc/80/34/60/519803460.db2.gz XTGACXIGWYAXEE-MGPQQGTHSA-N 0 3 255.402 2.283 10 0 CEAEHN CC[NH2+]CCS(=O)(=O)[N-]c1cccc2ccccc21 ZINC000049632406 519928599 /nfs/dbraw/zinc/92/85/99/519928599.db2.gz UMHKIJVAODQKJB-UHFFFAOYSA-N 0 3 278.377 2.191 10 0 CEAEHN CC(C)n1ccnc(NCCN2CCCCCC2)c1=O ZINC000061764454 520020240 /nfs/dbraw/zinc/02/02/40/520020240.db2.gz DTPDSESYITZTGA-UHFFFAOYSA-N 0 3 278.400 2.112 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCc3ncon3)ccc21 ZINC000062805057 520026209 /nfs/dbraw/zinc/02/62/09/520026209.db2.gz IXWBCPBWXUZVRZ-GFCCVEGCSA-N 0 3 275.308 2.082 10 0 CEAEHN CCNCc1oc(Cn2nnc3ccccc32)cc1C ZINC000052576770 520031738 /nfs/dbraw/zinc/03/17/38/520031738.db2.gz VQFRULQTPXZLIR-UHFFFAOYSA-N 0 3 270.336 2.491 10 0 CEAEHN CCCN[C@@](COc1ccc(C)c(C)c1)(C(N)=O)C1CC1 ZINC000069197326 520057588 /nfs/dbraw/zinc/05/75/88/520057588.db2.gz TWRVXRBDTVDEQG-QGZVFWFLSA-N 0 3 290.407 2.316 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCC(=O)OCC ZINC000062746986 520075982 /nfs/dbraw/zinc/07/59/82/520075982.db2.gz JJGSJYIAUVDUCW-JTQLQIEISA-N 0 3 269.316 2.438 10 0 CEAEHN CCCN[C@H](c1ccccc1)[C@H](C)S(C)(=O)=O ZINC000054930507 520089992 /nfs/dbraw/zinc/08/99/92/520089992.db2.gz ILUQKVBKOSXEIR-AAEUAGOBSA-N 0 3 255.383 2.160 10 0 CEAEHN CCCN[C@H]1CCN(c2cc(F)c(F)cc2F)C1=O ZINC000061094240 520096474 /nfs/dbraw/zinc/09/64/74/520096474.db2.gz KPYLOQKGDMERLE-NSHDSACASA-N 0 3 272.270 2.209 10 0 CEAEHN CCCN[C@H]1COc2cc(OCc3nc(C)no3)ccc21 ZINC000062805054 520098685 /nfs/dbraw/zinc/09/86/85/520098685.db2.gz PNQSKVNFCNBJRM-ZDUSSCGKSA-N 0 3 289.335 2.390 10 0 CEAEHN CCOC[C@@H](O)COc1ccc(Cl)cc1[C@H](C)N ZINC000069275798 520107365 /nfs/dbraw/zinc/10/73/65/520107365.db2.gz JEESHYYKPZWGMI-GXSJLCMTSA-N 0 3 273.760 2.136 10 0 CEAEHN CCN[C@@H](Cn1ncccc1=O)c1cc(C)ccc1C ZINC000061402103 520108200 /nfs/dbraw/zinc/10/82/00/520108200.db2.gz OOIZXWQVUBRILM-HNNXBMFYSA-N 0 3 271.364 2.211 10 0 CEAEHN CCCNc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cn1 ZINC000061655997 520143748 /nfs/dbraw/zinc/14/37/48/520143748.db2.gz WPKAOODNWOMADB-CQSZACIVSA-N 0 3 290.411 2.070 10 0 CEAEHN CCN[C@H](c1cc(C)sc1C)[C@H]1COCCO1 ZINC000055300150 520205614 /nfs/dbraw/zinc/20/56/14/520205614.db2.gz XTQYTYNRNJDKRV-CHWSQXEVSA-N 0 3 255.383 2.431 10 0 CEAEHN CCN[C@H](Cn1nc(C)ccc1=O)c1ccc(CC)cc1 ZINC000061810198 520205769 /nfs/dbraw/zinc/20/57/69/520205769.db2.gz ZQCORWFKKUBYLZ-MRXNPFEDSA-N 0 3 285.391 2.465 10 0 CEAEHN CCN[C@H](Cn1ccc(=O)cc1)c1cccc(OC)c1 ZINC000061627740 520206678 /nfs/dbraw/zinc/20/66/78/520206678.db2.gz BIWFQJIJSHULJK-MRXNPFEDSA-N 0 3 272.348 2.208 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1Cl)[C@H]1COCCO1 ZINC000055300807 520207237 /nfs/dbraw/zinc/20/72/37/520207237.db2.gz UYYMWBKTPAVXAR-ZIAGYGMSSA-N 0 3 285.771 2.415 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1cccc(CC)c1)C(N)=O ZINC000068654366 520237942 /nfs/dbraw/zinc/23/79/42/520237942.db2.gz RWELAHOQDPTQQV-MLGOLLRUSA-N 0 3 278.396 2.260 10 0 CEAEHN CCN[C@](COc1ccc(C(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197024 520251555 /nfs/dbraw/zinc/25/15/55/520251555.db2.gz ACQFOQYFXXSKEE-KRWDZBQOSA-N 0 3 290.407 2.432 10 0 CEAEHN CCCOc1ccc(CN)c(OC[C@@H](O)C(F)(F)F)c1 ZINC000068876661 520345228 /nfs/dbraw/zinc/34/52/28/520345228.db2.gz OXNJORUGSALOCA-GFCCVEGCSA-N 0 3 293.285 2.236 10 0 CEAEHN CCNc1ccnc(C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000050777049 520348262 /nfs/dbraw/zinc/34/82/62/520348262.db2.gz NDMNGZAGHFLAMN-CQSZACIVSA-N 0 3 292.427 2.220 10 0 CEAEHN CCCOc1ccc(OCC[C@H](NC(C)C)C(N)=O)cc1 ZINC000062594394 520407673 /nfs/dbraw/zinc/40/76/73/520407673.db2.gz PAHKUMXAYJOZPT-HNNXBMFYSA-N 0 3 294.395 2.096 10 0 CEAEHN CCCOc1ccc([C@@H](CN)N2CCOC[C@@H]2C)cc1 ZINC000052919999 520416671 /nfs/dbraw/zinc/41/66/71/520416671.db2.gz GFTJSXAEQLIVTH-XJKSGUPXSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCCNC(=O)[C@H](C)Oc1ccc2c(c1)OC[C@@H]2NC ZINC000062804412 520670418 /nfs/dbraw/zinc/67/04/18/520670418.db2.gz MRRMPUATVUBMME-FZMZJTMJSA-N 0 3 292.379 2.023 10 0 CEAEHN CCOC(=O)[C@@](CN1CCCC[C@@H]1C)(NC1CC1)C1CC1 ZINC000069093799 521166289 /nfs/dbraw/zinc/16/62/89/521166289.db2.gz VGOXAPKMMDVSDT-GUYCJALGSA-N 0 3 294.439 2.325 10 0 CEAEHN CCOc1cccc(CNC)c1OC[C@@H](O)C(F)(F)F ZINC000068876305 521359179 /nfs/dbraw/zinc/35/91/79/521359179.db2.gz MUWWHMCIFKPWAN-LLVKDONJSA-N 0 3 293.285 2.107 10 0 CEAEHN CCCN(CCN(C)C)C(=O)c1nc(NC)ccc1Cl ZINC000050786165 521656468 /nfs/dbraw/zinc/65/64/68/521656468.db2.gz FPYHTEWPOMNTMG-UHFFFAOYSA-N 0 3 298.818 2.191 10 0 CEAEHN CCCN(Cc1cccnc1C(N)=S)CC1CC1 ZINC000061659853 521691166 /nfs/dbraw/zinc/69/11/66/521691166.db2.gz RHCQXHHIBAYVTL-UHFFFAOYSA-N 0 3 263.410 2.338 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2cccc(OC)c2)c[nH]1 ZINC000052811134 521833254 /nfs/dbraw/zinc/83/32/54/521833254.db2.gz AUJUUGWOIVNNQN-GFCCVEGCSA-N 0 3 261.325 2.122 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(C)nc2ccccc21 ZINC000061300100 521940811 /nfs/dbraw/zinc/94/08/11/521940811.db2.gz OMWCLXUTJLTDBF-UHFFFAOYSA-N 0 3 257.337 2.480 10 0 CEAEHN COCC[C@H](N)c1nc2cc(Cl)ccc2n1C ZINC000052785236 521951526 /nfs/dbraw/zinc/95/15/26/521951526.db2.gz UMXSFZAGYISTSG-VIFPVBQESA-N 0 3 253.733 2.263 10 0 CEAEHN CC[C@@H](C)CN(C)Cc1ccnc(C(N)=S)c1 ZINC000068751940 521970716 /nfs/dbraw/zinc/97/07/16/521970716.db2.gz FPPYDTPZNHPRSG-SNVBAGLBSA-N 0 3 251.399 2.194 10 0 CEAEHN CNCc1c(C)nn([C@H]2CCCCC[C@H]2O)c1C ZINC000054600446 522099891 /nfs/dbraw/zinc/09/98/91/522099891.db2.gz LXPBCCHCCCTAJL-UONOGXRCSA-N 0 3 251.374 2.085 10 0 CEAEHN CNCc1c(C)nn([C@@H]2CCCCC[C@H]2O)c1C ZINC000054600445 522101588 /nfs/dbraw/zinc/10/15/88/522101588.db2.gz LXPBCCHCCCTAJL-ZIAGYGMSSA-N 0 3 251.374 2.085 10 0 CEAEHN CNCc1cc2ccccc2c(-n2ccc(C)n2)n1 ZINC000052885138 522114019 /nfs/dbraw/zinc/11/40/19/522114019.db2.gz GUYXBHYDVGQVON-UHFFFAOYSA-N 0 3 252.321 2.448 10 0 CEAEHN CC[C@@H](C)N1CCN([C@@H](CN)c2ccc(C)s2)CC1 ZINC000055063801 522129066 /nfs/dbraw/zinc/12/90/66/522129066.db2.gz HEJACUXUUVTISX-OCCSQVGLSA-N 0 3 281.469 2.472 10 0 CEAEHN CNCc1cccnc1N1CCN(C)c2ccccc21 ZINC000069052004 522139242 /nfs/dbraw/zinc/13/92/42/522139242.db2.gz FFRNHWOVEPAHDP-UHFFFAOYSA-N 0 3 268.364 2.389 10 0 CEAEHN CNCc1cnc(N2CCCSCC2)c(Cl)c1 ZINC000051520820 522145768 /nfs/dbraw/zinc/14/57/68/522145768.db2.gz SITAYOZCHWFNME-UHFFFAOYSA-N 0 3 271.817 2.398 10 0 CEAEHN COC[C@@H](C)N(C)c1nc(C(C)(C)C)c(CN)s1 ZINC000054998792 522223133 /nfs/dbraw/zinc/22/31/33/522223133.db2.gz YOMGDWAXPIIRED-SECBINFHSA-N 0 3 271.430 2.370 10 0 CEAEHN CN[C@@H](C)c1cc(C)ccc1OCCC(=O)OC ZINC000069317218 522328792 /nfs/dbraw/zinc/32/87/92/522328792.db2.gz SIHRWZUKGCAXJF-NSHDSACASA-N 0 3 251.326 2.217 10 0 CEAEHN CN[C@@H](C)c1c(C)nn(CCOCC(F)(F)F)c1C ZINC000054717963 522329198 /nfs/dbraw/zinc/32/91/98/522329198.db2.gz UDKLFODEMIVPSK-QMMMGPOBSA-N 0 3 279.306 2.359 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1cccc(F)c1)C(F)(F)F ZINC000062784511 522342688 /nfs/dbraw/zinc/34/26/88/522342688.db2.gz XVDNDHJYBYVQNT-UWVGGRQHSA-N 0 3 251.223 2.313 10 0 CEAEHN CN[C@@H](c1ccc(Br)cc1)[C@H]1COCCO1 ZINC000055299280 522368180 /nfs/dbraw/zinc/36/81/80/522368180.db2.gz GTYOVWRTJJAFCD-NEPJUHHUSA-N 0 3 286.169 2.125 10 0 CEAEHN CCc1nc(NC(=O)CN[C@H](C)CC)sc1C ZINC000049184689 522391983 /nfs/dbraw/zinc/39/19/83/522391983.db2.gz GBYCNKZSJPVJLC-MRVPVSSYSA-N 0 3 255.387 2.341 10 0 CEAEHN CN[C@H](C)c1c(C)nn(CC2CCOCC2)c1C ZINC000054717932 522445799 /nfs/dbraw/zinc/44/57/99/522445799.db2.gz YFQHMZWJQRZWDX-SNVBAGLBSA-N 0 3 251.374 2.207 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCCC(=O)OC ZINC000069317634 522447650 /nfs/dbraw/zinc/44/76/50/522447650.db2.gz ZFWSQGUXXKFBNK-SECBINFHSA-N 0 3 255.289 2.048 10 0 CEAEHN CN[C@H](C)c1cnn([C@H]2CCCCC[C@@H]2O)c1C ZINC000054600540 522453697 /nfs/dbraw/zinc/45/36/97/522453697.db2.gz NHFFRVMLEPTGKN-SWHYSGLUSA-N 0 3 251.374 2.338 10 0 CEAEHN CN[C@H](C)c1cnn(Cc2ncc(C)c(OC)c2C)c1 ZINC000054720823 522454388 /nfs/dbraw/zinc/45/43/88/522454388.db2.gz ZFRQKCPMBXXPET-GFCCVEGCSA-N 0 3 274.368 2.232 10 0 CEAEHN CN[C@](C)(C[C@@H](C)Sc1nc2ccccc2o1)C(N)=O ZINC000068637616 522521139 /nfs/dbraw/zinc/52/11/39/522521139.db2.gz YIJFEHYARDPPEG-YMTOWFKASA-N 0 3 293.392 2.162 10 0 CEAEHN CN(CC(F)(F)F)c1cccc(CNC2CC2)n1 ZINC000051447816 522578563 /nfs/dbraw/zinc/57/85/63/522578563.db2.gz PQSWGLOKFSLSEL-UHFFFAOYSA-N 0 3 259.275 2.332 10 0 CEAEHN CC[C@@H](N)C(=O)Nc1cc(Br)ccc1OC ZINC000049569886 522639331 /nfs/dbraw/zinc/63/93/31/522639331.db2.gz DSQWMJBOJMRVTO-MRVPVSSYSA-N 0 3 287.157 2.134 10 0 CEAEHN CCc1nnc(CN[C@@H](Cc2ccccc2)C2CC2)n1C ZINC000183395434 522745302 /nfs/dbraw/zinc/74/53/02/522745302.db2.gz IDRWHIURRVTZCN-HNNXBMFYSA-N 0 3 284.407 2.488 10 0 CEAEHN COc1cc(OC)c([C@H](N)C2CCOCC2)c(OC)c1 ZINC000061671384 522832226 /nfs/dbraw/zinc/83/22/26/522832226.db2.gz RIAWIPXKMJUDQW-OAHLLOKOSA-N 0 3 281.352 2.139 10 0 CEAEHN CC[C@@H](Oc1ccc2c(c1)OC(C)(C)C[C@H]2NC)C(N)=O ZINC000061676013 523044350 /nfs/dbraw/zinc/04/43/50/523044350.db2.gz XEXPYFPCFRCOQA-CHWSQXEVSA-N 0 3 292.379 2.151 10 0 CEAEHN CC[C@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2CN)C1 ZINC000068602111 523120658 /nfs/dbraw/zinc/12/06/58/523120658.db2.gz RJRMWWIPLWAOLL-GXTWGEPZSA-N 0 3 296.436 2.392 10 0 CEAEHN CC[C@H]1CC[C@H](N)[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000061702557 523205112 /nfs/dbraw/zinc/20/51/12/523205112.db2.gz DWLTZYFNNKCMAR-FPMFFAJLSA-N 0 3 267.394 2.366 10 0 CEAEHN COC(=O)COc1cc(OC)ccc1CNC(C)(C)C ZINC000062733135 523218682 /nfs/dbraw/zinc/21/86/82/523218682.db2.gz JFHINARJXXTUBH-UHFFFAOYSA-N 0 3 281.352 2.135 10 0 CEAEHN COCCCN(C)[C@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062711826 523232734 /nfs/dbraw/zinc/23/27/34/523232734.db2.gz GVJCMDFWZCBTDC-GFCCVEGCSA-N 0 3 276.302 2.072 10 0 CEAEHN CC[C@H]1CN(c2ccccc2CNCCOC)CCO1 ZINC000062735932 523306659 /nfs/dbraw/zinc/30/66/59/523306659.db2.gz APWNJKIIQGQJIY-HNNXBMFYSA-N 0 3 278.396 2.038 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1Cc1cc(CNC)oc1C ZINC000052571208 523350894 /nfs/dbraw/zinc/35/08/94/523350894.db2.gz IQQGAXOVLCMUJI-RISCZKNCSA-N 0 3 266.385 2.307 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1nccn1CC ZINC000374210177 523477726 /nfs/dbraw/zinc/47/77/26/523477726.db2.gz TYWKVTUPERMVMB-CABCVRRESA-N 0 3 276.428 2.352 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1[C@@H](CN)c1ccc(F)c(F)c1 ZINC000048914575 523517684 /nfs/dbraw/zinc/51/76/84/523517684.db2.gz XCHGABLLVMXETP-HCKVZZMMSA-N 0 3 284.350 2.464 10 0 CEAEHN COCCN(C(=O)[C@H](CN)c1ccccc1)[C@@H](C)C1CC1 ZINC000061612100 523551331 /nfs/dbraw/zinc/55/13/31/523551331.db2.gz XEWYUMPFCOAERC-XJKSGUPXSA-N 0 3 290.407 2.002 10 0 CEAEHN COCCN(C)Cc1ccc(CNC(C)(C)C)o1 ZINC000052572816 523624188 /nfs/dbraw/zinc/62/41/88/523624188.db2.gz LKDKQTXABXXZKQ-UHFFFAOYSA-N 0 3 254.374 2.246 10 0 CEAEHN CN(c1nc2c(s1)[C@H](N)CCC2)C1CCOCC1 ZINC000054895982 523666241 /nfs/dbraw/zinc/66/62/41/523666241.db2.gz VBDCLPDIKXYTDH-SNVBAGLBSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@](O)(CNCCOC)c1cccc(Cl)c1 ZINC000055033589 523690304 /nfs/dbraw/zinc/69/03/04/523690304.db2.gz IXIUKFBHGNIIGU-CYBMUJFWSA-N 0 3 257.761 2.174 10 0 CEAEHN COCCN(CCOC)Cc1cc(CNC(C)(C)C)co1 ZINC000052571449 523720174 /nfs/dbraw/zinc/72/01/74/523720174.db2.gz LKKPAJGQZONUHB-UHFFFAOYSA-N 0 3 298.427 2.263 10 0 CEAEHN COc1ccc(C)cc1[C@@H](N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000052943462 523855111 /nfs/dbraw/zinc/85/51/11/523855111.db2.gz ULVCXEBBSJDAQY-HNNXBMFYSA-N 0 3 283.331 2.221 10 0 CEAEHN CC[C@H](C)CNCC(=O)Nc1ccc(OC)cc1 ZINC000054472193 523884199 /nfs/dbraw/zinc/88/41/99/523884199.db2.gz MGKXJMPTJGXDKJ-NSHDSACASA-N 0 3 250.342 2.269 10 0 CEAEHN COCCNC[C@@H](O)c1csc2ccccc21 ZINC000055030707 523940739 /nfs/dbraw/zinc/94/07/39/523940739.db2.gz WNOPEYAJOIFDCJ-GFCCVEGCSA-N 0 3 251.351 2.171 10 0 CEAEHN COCCNCc1c(C)nc(C(C)(C)C)nc1C ZINC000054854577 523946072 /nfs/dbraw/zinc/94/60/72/523946072.db2.gz JSLOQWQITGPGCV-UHFFFAOYSA-N 0 3 251.374 2.127 10 0 CEAEHN CC[C@H](C)N1CCN(c2cc(C)nc(Cl)n2)CC1 ZINC000055084621 523960726 /nfs/dbraw/zinc/96/07/26/523960726.db2.gz QGSUUKUTEWCAKY-NSHDSACASA-N 0 3 268.792 2.359 10 0 CEAEHN COC(=O)[C@](CN(C)CC(C)(C)C)(NC(C)C)C1CC1 ZINC000069132525 524003555 /nfs/dbraw/zinc/00/35/55/524003555.db2.gz OSMMEPPYVCEIEO-MRXNPFEDSA-N 0 3 284.444 2.284 10 0 CEAEHN COC(=O)[C@](CN1CCCC(C)(C)C1)(NC(C)C)C1CC1 ZINC000069516904 524004895 /nfs/dbraw/zinc/00/48/95/524004895.db2.gz HPBFKCAIDGPSNR-QGZVFWFLSA-N 0 3 296.455 2.428 10 0 CEAEHN COc1ccc(CN)cc1CS(=O)(=O)c1ccccc1 ZINC000061702698 524016741 /nfs/dbraw/zinc/01/67/41/524016741.db2.gz QPTPBAFSLQKFQY-UHFFFAOYSA-N 0 3 291.372 2.128 10 0 CEAEHN CNC(=O)CCOc1cc(OC)ccc1CNC(C)(C)C ZINC000062733145 524069619 /nfs/dbraw/zinc/06/96/19/524069619.db2.gz ONRRVNYIYXIFGE-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN COc1ccc(CN[C@@H]2C[C@H]2C)c(OC)c1OC ZINC000052269480 524087122 /nfs/dbraw/zinc/08/71/22/524087122.db2.gz GPOLHSYXBHZSRR-MWLCHTKSSA-N 0 3 251.326 2.210 10 0 CEAEHN CNC(=O)[C@H](C)Oc1ccc(OC)cc1CNC(C)(C)C ZINC000062727530 524102589 /nfs/dbraw/zinc/10/25/89/524102589.db2.gz CUIWBAWLJVMCAL-NSHDSACASA-N 0 3 294.395 2.097 10 0 CEAEHN C[C@H]1CCC[C@@H](C(=O)NCc2ccc(F)cc2F)N1 ZINC000051017942 524128813 /nfs/dbraw/zinc/12/88/13/524128813.db2.gz JKBCCNRKDUMVBQ-ZANVPECISA-N 0 3 268.307 2.112 10 0 CEAEHN Cc1ccc(C)c(OC[C@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069197293 524182692 /nfs/dbraw/zinc/18/26/92/524182692.db2.gz PYGJNCWTRFPASM-QGZVFWFLSA-N 0 3 290.407 2.314 10 0 CEAEHN Cc1cccc(C(=O)N[C@@H](CC(C)C)CN(C)C)c1N ZINC000049550948 524206597 /nfs/dbraw/zinc/20/65/97/524206597.db2.gz KTYCSAODNDEGCS-ZDUSSCGKSA-N 0 3 277.412 2.283 10 0 CEAEHN C[C@H]1CCC[C@H](SCC(=O)N2CCCNCC2)C1 ZINC000054694790 524210597 /nfs/dbraw/zinc/21/05/97/524210597.db2.gz PICLYFKGQGUQOH-STQMWFEESA-N 0 3 270.442 2.120 10 0 CEAEHN Cc1cc(C)c(C(=O)N2[C@@H](C)CNC[C@@H]2C)c(C)c1 ZINC000069133033 524228884 /nfs/dbraw/zinc/22/88/84/524228884.db2.gz QJIXGEHFDMZQEP-KBPBESRZSA-N 0 3 260.381 2.434 10 0 CEAEHN C[C@@H]1CCCN[C@H]1C(=O)N(C)c1ccc(F)cc1 ZINC000051813167 524263472 /nfs/dbraw/zinc/26/34/72/524263472.db2.gz FMSBYGBQYPIKRB-ZWNOBZJWSA-N 0 3 250.317 2.177 10 0 CEAEHN C[C@H](CN1CCCC1)n1c(N)cc2ccccc2c1=O ZINC000049185795 524321784 /nfs/dbraw/zinc/32/17/84/524321784.db2.gz VCPHYDJCTPHTJK-GFCCVEGCSA-N 0 3 271.364 2.241 10 0 CEAEHN Cc1cccc(CCC(=O)N2[C@@H](C)CNC[C@@H]2C)c1 ZINC000069132634 524348863 /nfs/dbraw/zinc/34/88/63/524348863.db2.gz XNKGBMLQHGAARS-KBPBESRZSA-N 0 3 260.381 2.136 10 0 CEAEHN C[C@H](CN1CCOCC1)NCc1ccc2ccccc2n1 ZINC000049505502 524357575 /nfs/dbraw/zinc/35/75/75/524357575.db2.gz JQRHSGDQPDKLRP-CQSZACIVSA-N 0 3 285.391 2.045 10 0 CEAEHN Cc1cccc(CNC(=O)c2c[nH]c(=NN)c(Cl)c2)c1 ZINC000051091522 524430315 /nfs/dbraw/zinc/43/03/15/524430315.db2.gz FQOBPJMWMIPSNJ-UHFFFAOYSA-N 0 3 290.754 2.259 10 0 CEAEHN COc1ccccc1CN(C)Cc1cccnc1C(=N)N ZINC000061658126 524435778 /nfs/dbraw/zinc/43/57/78/524435778.db2.gz XRGNKHGXNOPYDO-UHFFFAOYSA-N 0 3 284.363 2.006 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1cc(N)ccc1Cl ZINC000049149109 524589993 /nfs/dbraw/zinc/58/99/93/524589993.db2.gz FGGAFNQACGRCTF-JTQLQIEISA-N 0 3 281.787 2.136 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc2ccccc2o1 ZINC000069132591 524697771 /nfs/dbraw/zinc/69/77/71/524697771.db2.gz SWTFXZUGYMPAMP-QWRGUYRKSA-N 0 3 258.321 2.255 10 0 CEAEHN Cc1cc(CN2C[C@@H](C)OC(C)(C)C2)oc1CN ZINC000052543526 524713999 /nfs/dbraw/zinc/71/39/99/524713999.db2.gz MMLAYXRAQDKQMN-LLVKDONJSA-N 0 3 252.358 2.046 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000068643195 524851085 /nfs/dbraw/zinc/85/10/85/524851085.db2.gz QFSFYMKUHDDYIY-BLLLJJGKSA-N 0 3 282.428 2.482 10 0 CEAEHN Cc1cccc([C@H](CN)N(CCO)Cc2ccccc2)c1 ZINC000050513855 524879879 /nfs/dbraw/zinc/87/98/79/524879879.db2.gz QXCNVJNSNXFXBR-SFHVURJKSA-N 0 3 284.403 2.489 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)Cc2cccnc2)c1 ZINC000055234828 524885280 /nfs/dbraw/zinc/88/52/80/524885280.db2.gz KDJLVTULWBRPNC-AWEZNQCLSA-N 0 3 258.321 2.341 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)[C@@H]1CCCc2ccccc21 ZINC000069132747 525096276 /nfs/dbraw/zinc/09/62/76/525096276.db2.gz IOLLWHSGXFRYGO-XJKCOSOUSA-N 0 3 272.392 2.315 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)CCCc1ccccc1 ZINC000069133099 525099009 /nfs/dbraw/zinc/09/90/09/525099009.db2.gz GPCJJNBXCPNVET-OKILXGFUSA-N 0 3 260.381 2.218 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc2c(s1)CCCC2 ZINC000069133096 525101636 /nfs/dbraw/zinc/10/16/36/525101636.db2.gz NLFZNFYYYJUSQS-PHIMTYICSA-N 0 3 278.421 2.449 10 0 CEAEHN COc1ccc([C@@H](N)c2ccc3c(c2)CC(=O)N3)cc1F ZINC000061668814 525192747 /nfs/dbraw/zinc/19/27/47/525192747.db2.gz JZBRVTVMIMPTPS-INIZCTEOSA-N 0 3 286.306 2.377 10 0 CEAEHN Cc1cc(N[C@@H]2CCN(C3CC3)C2)nc(Cl)n1 ZINC000052814889 525295308 /nfs/dbraw/zinc/29/53/08/525295308.db2.gz GBDYNTRZMHKFHG-SECBINFHSA-N 0 3 252.749 2.087 10 0 CEAEHN C[C@@H]1C[C@H](C)CN(Cc2cccnc2C(N)=S)C1 ZINC000061659658 525385549 /nfs/dbraw/zinc/38/55/49/525385549.db2.gz WVIJZLIMHUSZSQ-PHIMTYICSA-N 0 3 263.410 2.194 10 0 CEAEHN Cc1ccccc1[C@H](C)NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631495 525417064 /nfs/dbraw/zinc/41/70/64/525417064.db2.gz QQVONINEBPFMJN-KBPBESRZSA-N 0 3 296.436 2.118 10 0 CEAEHN CSCCCN[C@H](C)C(=O)N1CCCCCC1 ZINC000069447081 525482129 /nfs/dbraw/zinc/48/21/29/525482129.db2.gz FSVUSWPCXIRJMA-GFCCVEGCSA-N 0 3 258.431 2.120 10 0 CEAEHN C[C@@H]1Cc2ccccc2N1Cc1cccnc1CN ZINC000061656467 525534152 /nfs/dbraw/zinc/53/41/52/525534152.db2.gz MIUIMIFWVXEMGJ-GFCCVEGCSA-N 0 3 253.349 2.492 10 0 CEAEHN CSC[C@@H](C)CNCC(=O)Nc1ccc(F)cc1 ZINC000069447607 525621699 /nfs/dbraw/zinc/62/16/99/525621699.db2.gz YEKKJJQOWQJGAV-JTQLQIEISA-N 0 3 270.373 2.353 10 0 CEAEHN C[C@@](N)(C(=O)N[C@@H]1CCCc2sccc21)C1CC1 ZINC000061365846 525746471 /nfs/dbraw/zinc/74/64/71/525746471.db2.gz FIOMVLHPWQBEOP-RISCZKNCSA-N 0 3 264.394 2.369 10 0 CEAEHN C[C@H](O)c1ccc(NC(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061655760 525856326 /nfs/dbraw/zinc/85/63/26/525856326.db2.gz RJYMUFMWIZPTJF-SWLSCSKDSA-N 0 3 291.395 2.298 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@@H](O)COCCOC(C)C)cc1 ZINC000049556585 525923185 /nfs/dbraw/zinc/92/31/85/525923185.db2.gz SVUDPJMOMXFBQW-DOTOQJQBSA-N 0 3 295.423 2.448 10 0 CEAEHN Cc1ccc(-n2nnnc2CNCC(C)C)c(Cl)c1 ZINC000054744327 525936282 /nfs/dbraw/zinc/93/62/82/525936282.db2.gz LVCYBBBPHYXVTM-UHFFFAOYSA-N 0 3 279.775 2.370 10 0 CEAEHN CSc1ccc(-n2nnnc2CNCC(C)C)cc1 ZINC000054745400 525949940 /nfs/dbraw/zinc/94/99/40/525949940.db2.gz CARXILYWKDALLN-UHFFFAOYSA-N 0 3 277.397 2.130 10 0 CEAEHN COc1cccc(NC(=O)[C@H](CN)c2ccccc2)c1 ZINC000061610914 526198665 /nfs/dbraw/zinc/19/86/65/526198665.db2.gz MNMPYDCPFHCZRB-OAHLLOKOSA-N 0 3 270.332 2.376 10 0 CEAEHN Cc1ccc(C(=O)Nc2cc(CN)ccc2C)cn1 ZINC000050430662 526217648 /nfs/dbraw/zinc/21/76/48/526217648.db2.gz NZZIZLYDZRUCQF-UHFFFAOYSA-N 0 3 255.321 2.409 10 0 CEAEHN C[C@H]1CCCC[N@@H+]1CCCn1ccc(=O)[n-]c1=S ZINC000052312755 526249094 /nfs/dbraw/zinc/24/90/94/526249094.db2.gz NXANPLGHZPWVND-NSHDSACASA-N 0 3 267.398 2.170 10 0 CEAEHN C[C@H]1CCCC[N@H+]1CCCn1ccc(=O)[n-]c1=S ZINC000052312755 526249099 /nfs/dbraw/zinc/24/90/99/526249099.db2.gz NXANPLGHZPWVND-NSHDSACASA-N 0 3 267.398 2.170 10 0 CEAEHN O[C@H](CNC1CC1)c1cc(Br)cs1 ZINC000055029378 526275935 /nfs/dbraw/zinc/27/59/35/526275935.db2.gz VXGQNYPVCQWCMP-MRVPVSSYSA-N 0 3 262.172 2.296 10 0 CEAEHN Cc1nn([C@H](CN)c2ccccn2)c(C)c1Br ZINC000050588804 526306225 /nfs/dbraw/zinc/30/62/25/526306225.db2.gz DKLNPEFOLFDEMY-LLVKDONJSA-N 0 3 295.184 2.206 10 0 CEAEHN O=C(NCCN1CCCCCC1)c1ccc2c[nH]nc2c1 ZINC000061670501 526310233 /nfs/dbraw/zinc/31/02/33/526310233.db2.gz OJQKHOVBNQKRHD-UHFFFAOYSA-N 0 3 286.379 2.169 10 0 CEAEHN c1cc(CN2CCSCC2)c(CNC2CC2)o1 ZINC000052425567 526423979 /nfs/dbraw/zinc/42/39/79/526423979.db2.gz CBQXYGCJSDZHQR-UHFFFAOYSA-N 0 3 252.383 2.080 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCOCC1CC1 ZINC000174237742 526469191 /nfs/dbraw/zinc/46/91/91/526469191.db2.gz NNTGXFRMNTZEDR-AWEZNQCLSA-N 0 3 298.427 2.402 10 0 CEAEHN Cc1nc(CN[C@@H](Cn2ccnc2)C(C)(C)C)c[nH]1 ZINC000054822217 526891119 /nfs/dbraw/zinc/89/11/19/526891119.db2.gz DNGDORMZBNEXAI-ZDUSSCGKSA-N 0 3 261.373 2.119 10 0 CEAEHN Cc1ncc(CN[C@@H](Cn2ccnc2)C(C)(C)C)[nH]1 ZINC000054822217 526891126 /nfs/dbraw/zinc/89/11/26/526891126.db2.gz DNGDORMZBNEXAI-ZDUSSCGKSA-N 0 3 261.373 2.119 10 0 CEAEHN Cc1nc(CN[C@@H]2CCN(Cc3ccccc3)C2)c[nH]1 ZINC000054821923 526893045 /nfs/dbraw/zinc/89/30/45/526893045.db2.gz FXFPWNMXBYSELK-OAHLLOKOSA-N 0 3 270.380 2.082 10 0 CEAEHN Cc1nc(Cn2ccnc2CNC(C)C)cs1 ZINC000051005530 526942630 /nfs/dbraw/zinc/94/26/30/526942630.db2.gz YLQSQWKMXNVKMV-UHFFFAOYSA-N 0 3 250.371 2.194 10 0 CEAEHN Cc1nc(N(C)[C@H]2CCSC2)sc1[C@@H](C)N ZINC000054895325 526951503 /nfs/dbraw/zinc/95/15/03/526951503.db2.gz XCIRGHVDPFJUNW-APPZFPTMSA-N 0 3 257.428 2.413 10 0 CEAEHN Cc1nc(N(C)[C@@H]2CCSC2)sc1[C@@H](C)N ZINC000054895322 526952058 /nfs/dbraw/zinc/95/20/58/526952058.db2.gz XCIRGHVDPFJUNW-VXNVDRBHSA-N 0 3 257.428 2.413 10 0 CEAEHN NC(=O)[C@@H](NC1CCCC1)c1ccc2ncccc2c1 ZINC000069503140 526956957 /nfs/dbraw/zinc/95/69/57/526956957.db2.gz VLDNGMOFGHVZIS-HNNXBMFYSA-N 0 3 269.348 2.293 10 0 CEAEHN NC(=O)[C@](COC1CCCCCC1)(NC1CC1)C1CC1 ZINC000069194448 527017034 /nfs/dbraw/zinc/01/70/34/527017034.db2.gz XCPCMLRKNAPPJQ-MRXNPFEDSA-N 0 3 280.412 2.112 10 0 CEAEHN NCCS(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000051040497 527190688 /nfs/dbraw/zinc/19/06/88/527190688.db2.gz KFTAOTYVOTZPCI-UHFFFAOYSA-N 0 3 276.361 2.054 10 0 CEAEHN NC[C@@H](C(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000061611699 527202310 /nfs/dbraw/zinc/20/23/10/527202310.db2.gz SVMMTFATHOQCEE-LLVKDONJSA-N 0 3 275.739 2.416 10 0 CEAEHN NC[C@@H](Oc1cc(F)cc(F)c1)c1ccccn1 ZINC000054932247 527206222 /nfs/dbraw/zinc/20/62/22/527206222.db2.gz PNTVOHYECTVYBO-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN NC[C@H](C(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000061611068 527223437 /nfs/dbraw/zinc/22/34/37/527223437.db2.gz DMIZOQBSCCMELF-LBPRGKRZSA-N 0 3 275.739 2.416 10 0 CEAEHN NC[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000061610810 527224354 /nfs/dbraw/zinc/22/43/54/527224354.db2.gz OPSIBMDZKYSKNM-INIZCTEOSA-N 0 3 268.360 2.088 10 0 CEAEHN NC[C@H](Oc1cccc(F)c1F)c1ccccn1 ZINC000062612104 527228878 /nfs/dbraw/zinc/22/88/78/527228878.db2.gz MHSIHYOUUUJXGM-LBPRGKRZSA-N 0 3 250.248 2.439 10 0 CEAEHN NCc1cc(Br)ccc1OC1CCOCC1 ZINC000068955207 527245313 /nfs/dbraw/zinc/24/53/13/527245313.db2.gz ZLYFIIXLRYYFPM-UHFFFAOYSA-N 0 3 286.169 2.466 10 0 CEAEHN NCc1cccc(C(=O)NCc2ccc(F)cc2F)c1 ZINC000051016544 527259325 /nfs/dbraw/zinc/25/93/25/527259325.db2.gz YMPNGOORKYFUMA-UHFFFAOYSA-N 0 3 276.286 2.354 10 0 CEAEHN NCc1ccnc(-c2ccc(Br)cc2)n1 ZINC000054791101 527260317 /nfs/dbraw/zinc/26/03/17/527260317.db2.gz HJAFUUJCRJBDET-UHFFFAOYSA-N 0 3 264.126 2.365 10 0 CEAEHN NCc1ccoc1CN1CCN(c2ccccc2)CC1 ZINC000052417312 527261814 /nfs/dbraw/zinc/26/18/14/527261814.db2.gz PMPYEUWXNGYHKC-UHFFFAOYSA-N 0 3 271.364 2.061 10 0 CEAEHN NCc1coc(CN2CCN(c3ccccc3F)CC2)c1 ZINC000052374729 527263683 /nfs/dbraw/zinc/26/36/83/527263683.db2.gz AVGBJMWUOQQBJI-UHFFFAOYSA-N 0 3 289.354 2.200 10 0 CEAEHN NNc1cc(C(=O)Nc2cccc3cnccc32)ccn1 ZINC000051091100 527272602 /nfs/dbraw/zinc/27/26/02/527272602.db2.gz BVHNSMHSMNYGMS-UHFFFAOYSA-N 0 3 279.303 2.168 10 0 CEAEHN NN=c1cc(C(=O)Nc2cccc3cnccc32)cc[nH]1 ZINC000051091100 527272609 /nfs/dbraw/zinc/27/26/09/527272609.db2.gz BVHNSMHSMNYGMS-UHFFFAOYSA-N 0 3 279.303 2.168 10 0 CEAEHN N[C@@H](COC1CCC1)c1ccc2c(c1)OCCCO2 ZINC000050520120 527334977 /nfs/dbraw/zinc/33/49/77/527334977.db2.gz JALANWBSVZRCOJ-ZDUSSCGKSA-N 0 3 263.337 2.417 10 0 CEAEHN N[C@H](Cc1ccc(O)cc1)c1nc(-c2cccs2)n[nH]1 ZINC000054700173 527388784 /nfs/dbraw/zinc/38/87/84/527388784.db2.gz DUHLXTQSOUMYGS-LLVKDONJSA-N 0 3 286.360 2.481 10 0 CEAEHN N[C@H](c1ccc2c(c1)CC(=O)N2)c1ccc2c(c1)CCO2 ZINC000050892074 527391143 /nfs/dbraw/zinc/39/11/43/527391143.db2.gz HRLVKFCJRIOSGF-QGZVFWFLSA-N 0 3 280.327 2.164 10 0 CEAEHN N[C@H](Cn1ncc2ccccc21)c1ccc2c(c1)OCO2 ZINC000050525531 527391500 /nfs/dbraw/zinc/39/15/00/527391500.db2.gz MAZXIBFDJBJMTO-CYBMUJFWSA-N 0 3 281.315 2.465 10 0 CEAEHN N[C@H](c1cncnc1)C1(c2ccccc2)CCOCC1 ZINC000062783603 527392858 /nfs/dbraw/zinc/39/28/58/527392858.db2.gz OKABKHVYYSIOON-OAHLLOKOSA-N 0 3 269.348 2.225 10 0 CEAEHN Nc1ccccc1CCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052918684 527526311 /nfs/dbraw/zinc/52/63/11/527526311.db2.gz BVJOWBJCGHYEND-JKSUJKDBSA-N 0 3 260.381 2.455 10 0 CEAEHN Nc1ccnc(O[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000061702190 527534954 /nfs/dbraw/zinc/53/49/54/527534954.db2.gz DCIVPDYUUSQIDX-HNNXBMFYSA-N 0 3 269.348 2.317 10 0 CEAEHN Cc1nn(C)c(N2CCOC(C)(C)C2)c1CNC(C)(C)C ZINC000062736252 527675666 /nfs/dbraw/zinc/67/56/66/527675666.db2.gz NLUKXTAGNHHZMQ-UHFFFAOYSA-N 0 3 294.443 2.232 10 0 CEAEHN Cc1nn(C)c(N2CCSCC2)c1CNCC(C)C ZINC000062734939 527677047 /nfs/dbraw/zinc/67/70/47/527677047.db2.gz LSTRVRVQMVGZGE-UHFFFAOYSA-N 0 3 282.457 2.027 10 0 CEAEHN FC(F)Oc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1 ZINC000062669978 527695585 /nfs/dbraw/zinc/69/55/85/527695585.db2.gz WKMUOINHZLEDJZ-UHFFFAOYSA-N 0 3 294.305 2.088 10 0 CEAEHN CCSCC[C@H](C)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000174237058 529194280 /nfs/dbraw/zinc/19/42/80/529194280.db2.gz QDACUQPYAZPDMT-STQMWFEESA-N 0 3 287.473 2.302 10 0 CEAEHN CN[C@H](C)c1cc(F)c(C)cc1N1CCC[C@H](C(N)=O)C1 ZINC000094765248 536406414 /nfs/dbraw/zinc/40/64/14/536406414.db2.gz VLQAVAIPSBNXHF-NEPJUHHUSA-N 0 3 293.386 2.116 10 0 CEAEHN COC(=O)[C@@H](C)[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000093036271 536443126 /nfs/dbraw/zinc/44/31/26/536443126.db2.gz LDLVIANOGQFRGL-KBPBESRZSA-N 0 3 276.380 2.006 10 0 CEAEHN COc1ccc([C@]23CCN(C)[C@H]2C[C@H](O)CC3)cc1OC ZINC000004097962 560195095 /nfs/dbraw/zinc/19/50/95/560195095.db2.gz KPMLOZVRLWHOBN-COXVUDFISA-N 0 3 291.391 2.191 10 0 biogenic,in-vitro CEAEHN C[C@@H](CCO)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757134538 574826551 /nfs/dbraw/zinc/82/65/51/574826551.db2.gz NUXPAPKYBFDIII-NSHDSACASA-N 0 3 295.383 2.053 10 0 CEAEHN OCCN1CCC[C@@H](NCc2cc(F)cc(Cl)c2)C1 ZINC000384750889 574842291 /nfs/dbraw/zinc/84/22/91/574842291.db2.gz SCRHNVSFEKKKOR-CQSZACIVSA-N 0 3 286.778 2.025 10 0 CEAEHN CCCN(CC)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000255335378 623661293 /nfs/dbraw/zinc/66/12/93/623661293.db2.gz PRZPPIRVDIPMCE-UVTDQMKNSA-N 0 3 296.436 2.309 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000312460665 628275151 /nfs/dbraw/zinc/27/51/51/628275151.db2.gz YNMLLWXGDIHQOH-FZMZJTMJSA-N 0 3 276.380 2.308 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000263494097 631445941 /nfs/dbraw/zinc/44/59/41/631445941.db2.gz JGAYBKDRZDNQFL-XDYZINJXSA-N 0 3 282.428 2.338 10 0 CEAEHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)n1ccnc1 ZINC000123450523 648990998 /nfs/dbraw/zinc/99/09/98/648990998.db2.gz FNVQSHZDNFRQDK-HNNXBMFYSA-N 0 3 284.363 2.278 10 0 CEAEHN C[C@H](N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019475019 649376159 /nfs/dbraw/zinc/37/61/59/649376159.db2.gz SOPGEVJJXMXDGC-NVHPZXLWSA-N 0 3 250.386 2.055 10 0 CEAEHN CCn1cc(CN[C@@H]2CCC[C@H]([S@@](=O)CC)C2)cn1 ZINC000096455597 230377256 /nfs/dbraw/zinc/37/72/56/230377256.db2.gz KCUYJEJYCWRULK-BIENJYKASA-N 0 3 283.441 2.072 10 0 CEAEHN CCCNCc1sc(CS(C)(=O)=O)nc1C1CC1 ZINC000082436193 178013786 /nfs/dbraw/zinc/01/37/86/178013786.db2.gz FFMWPVAUOIKPID-UHFFFAOYSA-N 0 3 288.438 2.065 10 0 CEAEHN CCN(CC)c1nc(COC)c(CNC2CC2)s1 ZINC000082447097 178025976 /nfs/dbraw/zinc/02/59/76/178025976.db2.gz UJEUBLGFQNOJFW-UHFFFAOYSA-N 0 3 269.414 2.388 10 0 CEAEHN COCCN1CCN(CCc2ccc(C)cc2)C[C@H]1C ZINC000124597132 187144789 /nfs/dbraw/zinc/14/47/89/187144789.db2.gz ZJJUKQVWRQAMQH-MRXNPFEDSA-N 0 3 276.424 2.190 10 0 CEAEHN NCc1cccc(I)c1OC1CC1 ZINC000095738062 185023642 /nfs/dbraw/zinc/02/36/42/185023642.db2.gz FBGAVXBWUADFSX-UHFFFAOYSA-N 0 3 289.116 2.291 10 0 CEAEHN CN(C)CCN(C)Cc1nc(Cl)ccc1Cl ZINC000082541403 178089141 /nfs/dbraw/zinc/08/91/41/178089141.db2.gz LNJJHEVISJYKOD-UHFFFAOYSA-N 0 3 262.184 2.382 10 0 CEAEHN Cc1noc([C@@H](C)N2CCN(C[C@@H]3CC=CCC3)CC2)n1 ZINC000121257279 365541884 /nfs/dbraw/zinc/54/18/84/365541884.db2.gz CGKWNEPXJBTQCL-UKRRQHHQSA-N 0 3 290.411 2.413 10 0 CEAEHN CNCc1ccc(Br)cc1SCCO ZINC000082616210 178126403 /nfs/dbraw/zinc/12/64/03/178126403.db2.gz LCKGZDKQDROCJP-UHFFFAOYSA-N 0 3 276.199 2.253 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CCO1 ZINC000152082072 282123216 /nfs/dbraw/zinc/12/32/16/282123216.db2.gz UKYUGDAKOOBILI-HUUCEWRRSA-N 0 3 296.455 2.382 10 0 CEAEHN C[C@H](CNC(=O)c1c[nH]c2ccccc12)N1CCCC1 ZINC000096723647 185110372 /nfs/dbraw/zinc/11/03/72/185110372.db2.gz PPLMLQDYBSVSHL-GFCCVEGCSA-N 0 3 271.364 2.382 10 0 CEAEHN CCC[C@H](O)CN(CCCOC)Cc1ccco1 ZINC000036096457 361827496 /nfs/dbraw/zinc/82/74/96/361827496.db2.gz YBMVEGQZBIYUJA-ZDUSSCGKSA-N 0 3 255.358 2.279 10 0 CEAEHN CC(C)(C)OC(=O)N1CCNCC[C@H]1C(F)(F)F ZINC000096898203 185125182 /nfs/dbraw/zinc/12/51/82/185125182.db2.gz PCVXHTLYWCBKCF-QMMMGPOBSA-N 0 3 268.279 2.148 10 0 CEAEHN C[C@@H](NCC(=O)Nc1c(F)cccc1F)[C@H]1CCCO1 ZINC000036823874 361860810 /nfs/dbraw/zinc/86/08/10/361860810.db2.gz CVXGIRHRUJWJGW-BXKDBHETSA-N 0 3 284.306 2.060 10 0 CEAEHN C[C@@H]1C[C@]2(CN1C)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005302 185150480 /nfs/dbraw/zinc/15/04/80/185150480.db2.gz DPBKPPQLSFUTSC-GAJTVXKRSA-N 0 3 251.301 2.104 10 0 CEAEHN CCC[C@@H](N)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000037799232 361941672 /nfs/dbraw/zinc/94/16/72/361941672.db2.gz VJHDGKORKUGXMR-CYBMUJFWSA-N 0 3 284.787 2.305 10 0 CEAEHN CC[C@@H]1CN(Cc2sc(C)nc2C)CCN1C[C@@H](C)O ZINC000172791201 529399235 /nfs/dbraw/zinc/39/92/35/529399235.db2.gz HTTZCEJBZSYIHG-BXUZGUMPSA-N 0 3 297.468 2.037 10 0 CEAEHN N[C@H]1C[C@]12CNc1cc(Cl)c(Br)cc12 ZINC000725247203 539192371 /nfs/dbraw/zinc/19/23/71/539192371.db2.gz JZKHPJWYGMQCFK-VHSXEESVSA-N 0 3 273.561 2.497 10 0 CEAEHN CC(C)[C@@H]1CNCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000725271331 539215220 /nfs/dbraw/zinc/21/52/20/539215220.db2.gz CTVHNJODEDTDIM-ZDUSSCGKSA-N 0 3 298.427 2.401 10 0 CEAEHN CCN1C[C@@H](C)[C@H](NCc2ncc(Cl)s2)C1 ZINC000309667620 539272899 /nfs/dbraw/zinc/27/28/99/539272899.db2.gz UVIMGSGGFJVPMT-RKDXNWHRSA-N 0 3 259.806 2.226 10 0 CEAEHN N[C@H]1CCC[S@@](=O)c2ccc(Br)cc21 ZINC000040976807 362010846 /nfs/dbraw/zinc/01/08/46/362010846.db2.gz UOJJSRUFIXRPLF-XPTSAGLGSA-N 0 3 274.183 2.350 10 0 CEAEHN NC(N)=NOCCOc1ccc(-c2ccccc2)cc1 ZINC000033641331 343417705 /nfs/dbraw/zinc/41/77/05/343417705.db2.gz YTGBLAFZWUNZPK-UHFFFAOYSA-N 0 3 271.320 2.147 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007650 343424869 /nfs/dbraw/zinc/42/48/69/343424869.db2.gz FDENTWSHIPLFMJ-UFBFGSQYSA-N 0 3 256.296 2.125 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000037006028 343425095 /nfs/dbraw/zinc/42/50/95/343425095.db2.gz ZRRQLAHPNRWYPJ-PRHODGIISA-N 0 3 298.770 2.439 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000037164976 343426186 /nfs/dbraw/zinc/42/61/86/343426186.db2.gz WWYBZWQPFFHQAC-GOEBONIOSA-N 0 3 271.364 2.265 10 0 CEAEHN COc1ccc(CN[C@@H]2CCC[C@H](O)C2)c(OC)c1OC ZINC000037164391 343426201 /nfs/dbraw/zinc/42/62/01/343426201.db2.gz QLNVQJRXESGHGN-OLZOCXBDSA-N 0 3 295.379 2.106 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2cnc3ccccc3n2)C1 ZINC000037321179 343426689 /nfs/dbraw/zinc/42/66/89/343426689.db2.gz QVMLZTRBKYDSCN-WCQYABFASA-N 0 3 257.337 2.023 10 0 CEAEHN CCc1nc(CN[C@@H]2CCCC[C@@H]2CO)cs1 ZINC000152332001 529740396 /nfs/dbraw/zinc/74/03/96/529740396.db2.gz RTGCSRMUIPOEEG-ZYHUDNBSSA-N 0 3 254.399 2.346 10 0 CEAEHN CCCn1ccc(CN[C@@H](C)CC[S@@](C)=O)c1 ZINC000128026519 187346719 /nfs/dbraw/zinc/34/67/19/187346719.db2.gz LMMHDESHDYZSNF-SJCJKPOMSA-N 0 3 256.415 2.145 10 0 CEAEHN COC[C@H](O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000127062300 187279181 /nfs/dbraw/zinc/27/91/81/187279181.db2.gz BNVPVMLOINQZHY-CHWSQXEVSA-N 0 3 253.342 2.122 10 0 CEAEHN CCc1ccc([C@H]2CCCCN2C[C@@H](O)COC)o1 ZINC000127062862 187279544 /nfs/dbraw/zinc/27/95/44/187279544.db2.gz HMJLLNKQQJOXBU-TZMCWYRMSA-N 0 3 267.369 2.376 10 0 CEAEHN CCOC(=O)c1ccc(N2CCNC(C)(C)C2)s1 ZINC000113029923 344275606 /nfs/dbraw/zinc/27/56/06/344275606.db2.gz QDCUMJSWGXRQPJ-UHFFFAOYSA-N 0 3 268.382 2.113 10 0 CEAEHN NC1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000127704360 344331282 /nfs/dbraw/zinc/33/12/82/344331282.db2.gz SXXBCBXXDMIJQL-UHFFFAOYSA-N 0 3 289.162 2.440 10 0 CEAEHN C[C@H]1CCC[C@@H](CCNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129760157 344347004 /nfs/dbraw/zinc/34/70/04/344347004.db2.gz XZVXPUAMESWIJE-GJZGRUSLSA-N 0 3 295.471 2.003 10 0 CEAEHN CCc1ccc(CNC[C@@H]2CN(CC)CCO2)s1 ZINC000134476076 344374381 /nfs/dbraw/zinc/37/43/81/344374381.db2.gz OLFQYFLHVVANLY-GFCCVEGCSA-N 0 3 268.426 2.121 10 0 CEAEHN C[C@@](CN)(c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000134482941 344374886 /nfs/dbraw/zinc/37/48/86/344374886.db2.gz MXDKGSYSCRRQGS-QGZVFWFLSA-N 0 3 280.327 2.157 10 0 CEAEHN C[C@@H]1CC(N)=NN1c1ccc(Br)cc1 ZINC000137410835 344388029 /nfs/dbraw/zinc/38/80/29/344388029.db2.gz OTLGYYKVDXWZGQ-SSDOTTSWSA-N 0 3 254.131 2.320 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)C1CCCCC1 ZINC000173912309 344497834 /nfs/dbraw/zinc/49/78/34/344497834.db2.gz LUHMYANSXIDTQA-TZMCWYRMSA-N 0 3 267.417 2.301 10 0 CEAEHN Oc1ccc([C@H]2NCCN[C@@H]2c2ccc(O)cc2)cc1 ZINC000222178648 344540686 /nfs/dbraw/zinc/54/06/86/344540686.db2.gz HLGPUULQSDIQOP-HZPDHXFCSA-N 0 3 270.332 2.073 10 0 CEAEHN NC[C@H](O)c1cc(Br)c(Cl)s1 ZINC000227972303 344558147 /nfs/dbraw/zinc/55/81/47/344558147.db2.gz ZITMQOUUYWSRQR-BYPYZUCNSA-N 0 3 256.552 2.156 10 0 CEAEHN NCc1cc(N2C(=O)c3ccccc3C2=O)ccc1F ZINC000051635281 362432762 /nfs/dbraw/zinc/43/27/62/362432762.db2.gz OURJQCSWHMJEFW-UHFFFAOYSA-N 0 3 270.263 2.085 10 0 CEAEHN COC(=O)c1ccc(CNCC[C@@H]2CCCO2)cc1F ZINC000234579687 344585734 /nfs/dbraw/zinc/58/57/34/344585734.db2.gz HSOUMLVYAXYVHK-LBPRGKRZSA-N 0 3 281.327 2.271 10 0 CEAEHN CCN(C(=O)CN1CCC[C@H]1CCCO)c1ccccc1 ZINC000052762414 362474354 /nfs/dbraw/zinc/47/43/54/362474354.db2.gz FJCQAYFNACVJPW-HNNXBMFYSA-N 0 3 290.407 2.276 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC000053150507 362484526 /nfs/dbraw/zinc/48/45/26/362484526.db2.gz BHXQSGOFCHZSCU-CQSZACIVSA-N 0 3 296.361 2.498 10 0 CEAEHN NCc1cnc(Br)c(OC(F)(F)F)c1 ZINC000238692058 344607652 /nfs/dbraw/zinc/60/76/52/344607652.db2.gz XDYZBDDXUFCTOK-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN CCNCc1nc2c(cccc2Br)[nH]1 ZINC000306983063 344719334 /nfs/dbraw/zinc/71/93/34/344719334.db2.gz SLKGHMGNLFUGFB-UHFFFAOYSA-N 0 3 254.131 2.435 10 0 CEAEHN C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12NCCS2 ZINC000307172538 344720657 /nfs/dbraw/zinc/72/06/57/344720657.db2.gz NBBKJAHXCGYEGH-GXFFZTMASA-N 0 3 272.414 2.439 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)NC(C)(C)CS2 ZINC000307349553 344721997 /nfs/dbraw/zinc/72/19/97/344721997.db2.gz SDSHQSDWFZTADY-CYBMUJFWSA-N 0 3 272.414 2.439 10 0 CEAEHN C[C@@H]1C[C@H](N2CCNC2=O)CCN1Cc1ccccc1 ZINC000306595379 344715170 /nfs/dbraw/zinc/71/51/70/344715170.db2.gz KVEFTJDRGLOBEJ-UKRRQHHQSA-N 0 3 273.380 2.065 10 0 CEAEHN CCc1noc(C)c1CN(C)C[C@@H]1CCc2nccn2C1 ZINC000328626023 344756582 /nfs/dbraw/zinc/75/65/82/344756582.db2.gz DSGPDUYSADTZNX-ZDUSSCGKSA-N 0 3 288.395 2.436 10 0 CEAEHN COC(=O)c1csc(CNC[C@@H]2CCCC[C@@H]2O)c1 ZINC000602553012 347074158 /nfs/dbraw/zinc/07/41/58/347074158.db2.gz RKZGXVTUVJUOAR-GWCFXTLKSA-N 0 3 283.393 2.175 10 0 CEAEHN CCCOc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000392927753 344839712 /nfs/dbraw/zinc/83/97/12/344839712.db2.gz CXZRRRPIDTYNEX-IUODEOHRSA-N 0 3 276.380 2.232 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381668324 344824876 /nfs/dbraw/zinc/82/48/76/344824876.db2.gz KTBMTCNXMMSQJD-MGYRSQIZSA-N 0 3 252.402 2.445 10 0 CEAEHN C[C@@]1(C(=O)NC[C@H]2CC3CCC2CC3)CCCCN1 ZINC000400130394 344860790 /nfs/dbraw/zinc/86/07/90/344860790.db2.gz URPTWMSWWCDTDV-MNSOJDNVSA-N 0 3 264.413 2.461 10 0 CEAEHN c1nn(-c2ccnc(N3CCOCC3)c2)c2ccccc12 ZINC000584617991 344966523 /nfs/dbraw/zinc/96/65/23/344966523.db2.gz ZTQPTYNZTVHBQW-UHFFFAOYSA-N 0 3 280.331 2.257 10 0 CEAEHN COc1ccc([C@H](O)[C@@H](C)N2CCCC2)cc1OC ZINC000584621120 344966928 /nfs/dbraw/zinc/96/69/28/344966928.db2.gz YPVVPFCGHPFNTN-IAQYHMDHSA-N 0 3 265.353 2.222 10 0 CEAEHN CN(C)C[C@@H]1COc2ccccc2[C@]1(O)c1ccccc1 ZINC000584626319 344968228 /nfs/dbraw/zinc/96/82/28/344968228.db2.gz SLCBSKKXXYOQMP-QAPCUYQASA-N 0 3 283.371 2.493 10 0 CEAEHN COCC/C=C/CNCCOc1ccccc1OC ZINC000584627010 344968920 /nfs/dbraw/zinc/96/89/20/344968920.db2.gz BWYJJDCXEWKJCB-ZZXKWVIFSA-N 0 3 265.353 2.256 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000054073369 362509084 /nfs/dbraw/zinc/50/90/84/362509084.db2.gz ANKSYFFSDFOTLK-MRVPVSSYSA-N 0 3 259.309 2.252 10 0 CEAEHN CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000057879747 362599389 /nfs/dbraw/zinc/59/93/89/362599389.db2.gz WUGYQXKQCXSVBS-LBPRGKRZSA-N 0 3 291.395 2.306 10 0 CEAEHN CN(CCO)CCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000623091560 349935347 /nfs/dbraw/zinc/93/53/47/349935347.db2.gz IHCYXSIGZCNHGY-UHFFFAOYSA-N 0 3 290.329 2.061 10 0 CEAEHN CC(=O)c1ccc(N2C[C@H](O)C[C@@H]2CN(C)C)c(Cl)c1 ZINC000097246447 185571858 /nfs/dbraw/zinc/57/18/58/185571858.db2.gz DTWXILBOWUQONI-CHWSQXEVSA-N 0 3 296.798 2.044 10 0 CEAEHN CCN[C@H](Cc1ncnn1C(C)C)c1cncc(F)c1 ZINC000097277477 185576731 /nfs/dbraw/zinc/57/67/31/185576731.db2.gz LRRYYVOIHZKCCC-CYBMUJFWSA-N 0 3 277.347 2.286 10 0 CEAEHN CN[C@H](Cc1ncnn1C(C)C)c1snnc1C(C)C ZINC000097277624 185576763 /nfs/dbraw/zinc/57/67/63/185576763.db2.gz ODKXBWJZOXANDH-SNVBAGLBSA-N 0 3 294.428 2.337 10 0 CEAEHN C[C@@H]1CC[C@@H](N2CCN(C(C)(C)C(N)=S)CC2)C[C@@H]1C ZINC000085025936 178942771 /nfs/dbraw/zinc/94/27/71/178942771.db2.gz ZVMSWHHDRQTOLP-HZSPNIEDSA-N 0 3 297.512 2.493 10 0 CEAEHN CCN[C@](CO)(CSc1nncs1)c1ccccc1 ZINC000085292467 179007810 /nfs/dbraw/zinc/00/78/10/179007810.db2.gz KXOXEGHEUDSICK-CYBMUJFWSA-N 0 3 295.433 2.128 10 0 CEAEHN CC(C)[C@@H](NCc1cnn(CCO)c1)c1cccs1 ZINC000085433510 179061348 /nfs/dbraw/zinc/06/13/48/179061348.db2.gz LXUFZDKPPFPWRS-CQSZACIVSA-N 0 3 279.409 2.424 10 0 CEAEHN c1ccc([C@H]2CN(C[C@@H]3CCCCO3)CCN2)cc1 ZINC000085435431 179062248 /nfs/dbraw/zinc/06/22/48/179062248.db2.gz GXCGJFXIGLATEM-JKSUJKDBSA-N 0 3 260.381 2.202 10 0 CEAEHN CC(C)[C@@H](CN(C)C)Nc1ncncc1Br ZINC000085465484 179070891 /nfs/dbraw/zinc/07/08/91/179070891.db2.gz CVFBSZUOZLCOBH-SNVBAGLBSA-N 0 3 287.205 2.237 10 0 CEAEHN C[C@@H]1CN[C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085504497 179084117 /nfs/dbraw/zinc/08/41/17/179084117.db2.gz GSXIUFRJFIRBJM-UKRRQHHQSA-N 0 3 268.364 2.012 10 0 CEAEHN CC[C@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085505364 179084302 /nfs/dbraw/zinc/08/43/02/179084302.db2.gz CZIFTJKVRIRLNV-ARFHVFGLSA-N 0 3 260.381 2.200 10 0 CEAEHN CC(C)c1nc2c(n1[C@@H]1CCN(C3CC3)C1)CCNC2 ZINC000085573029 179098299 /nfs/dbraw/zinc/09/82/99/179098299.db2.gz VXIUCKASGVNDOV-CYBMUJFWSA-N 0 3 274.412 2.061 10 0 CEAEHN CCN1CCC[C@@H](NCc2ccncc2Cl)C1 ZINC000527644155 313190268 /nfs/dbraw/zinc/19/02/68/313190268.db2.gz FZAZGUAHKPKMLW-GFCCVEGCSA-N 0 3 253.777 2.309 10 0 CEAEHN CCCn1cc(CN2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000128450118 187371106 /nfs/dbraw/zinc/37/11/06/187371106.db2.gz OCRCLLGYBJUDGX-AWEZNQCLSA-N 0 3 273.384 2.016 10 0 CEAEHN NCc1ccccc1NC(=O)Cc1noc2ccccc12 ZINC000085810434 179177232 /nfs/dbraw/zinc/17/72/32/179177232.db2.gz RLLASMVMVRYXHL-UHFFFAOYSA-N 0 3 281.315 2.468 10 0 CEAEHN CNCc1ncoc1-c1ccc(Br)o1 ZINC000085940177 179203358 /nfs/dbraw/zinc/20/33/58/179203358.db2.gz PBAFONDHBHZEBU-UHFFFAOYSA-N 0 3 257.087 2.417 10 0 CEAEHN CN[C@H](c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086020634 179217959 /nfs/dbraw/zinc/21/79/59/179217959.db2.gz VQKSHAPJVRXGKB-PWSUYJOCSA-N 0 3 273.423 2.060 10 0 CEAEHN N[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000086020256 179218209 /nfs/dbraw/zinc/21/82/09/179218209.db2.gz JYKGUWLCPPISNZ-RDDDGLTNSA-N 0 3 294.203 2.428 10 0 CEAEHN C[C@]1(c2ccccc2)CN(CCc2cccnc2)CCN1 ZINC000086141917 179237070 /nfs/dbraw/zinc/23/70/70/179237070.db2.gz YHBSNJOEVSTRPZ-GOSISDBHSA-N 0 3 281.403 2.445 10 0 CEAEHN CC[C@@H]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)[C@@H]1C ZINC000086094015 179228753 /nfs/dbraw/zinc/22/87/53/179228753.db2.gz OCXSQSGHZWJVAH-MIGQKNRLSA-N 0 3 274.408 2.497 10 0 CEAEHN COc1ccc(CN[C@H]2CCCC[C@@H]2CO)c(F)c1 ZINC000231311349 539567223 /nfs/dbraw/zinc/56/72/23/539567223.db2.gz PXROSVRJQSJLIV-DOMZBBRYSA-N 0 3 267.344 2.475 10 0 CEAEHN CN[C@@H]1CCCc2sc(N(C)CCCOC)nc21 ZINC000086444029 179293673 /nfs/dbraw/zinc/29/36/73/179293673.db2.gz VTAPHGCRDBPNKE-SNVBAGLBSA-N 0 3 269.414 2.213 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1nc2c(s1)CCC[C@@H]2O ZINC000086444740 179294956 /nfs/dbraw/zinc/29/49/56/179294956.db2.gz CZGKXKFNSBAJKD-QWRGUYRKSA-N 0 3 281.425 2.043 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(OC)c2O)[C@@H](CC)CN1 ZINC000086445968 179295161 /nfs/dbraw/zinc/29/51/61/179295161.db2.gz QXHSZNOKVKKVBZ-NEPJUHHUSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccc(OC)c1 ZINC000086447285 179295336 /nfs/dbraw/zinc/29/53/36/179295336.db2.gz IJIQFDGLZUODKP-UONOGXRCSA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc(C)o2)[C@@H](CC)CN1 ZINC000086447340 179295610 /nfs/dbraw/zinc/29/56/10/179295610.db2.gz FKQAWYRHBJYMEK-RYUDHWBXSA-N 0 3 250.342 2.191 10 0 CEAEHN CCOc1cccc(CNCCc2c[nH]cn2)c1OC ZINC000086507214 179302872 /nfs/dbraw/zinc/30/28/72/179302872.db2.gz PCSSJBXFNYKVJW-UHFFFAOYSA-N 0 3 275.352 2.149 10 0 CEAEHN C[C@H](NCC(C)(C)S(C)(=O)=O)c1cccs1 ZINC000086503448 179303270 /nfs/dbraw/zinc/30/32/70/179303270.db2.gz UDOUOUXZDRTLHG-VIFPVBQESA-N 0 3 261.412 2.222 10 0 CEAEHN C[C@@H]1CN(C(=O)c2ccccc2OC(F)F)[C@H](C)CN1 ZINC000086467274 179297071 /nfs/dbraw/zinc/29/70/71/179297071.db2.gz LNZOQZQHMJEBJX-NXEZZACHSA-N 0 3 284.306 2.110 10 0 CEAEHN COc1ccc([C@H]2[C@H](CN)OCCN2C(C)C)cc1Cl ZINC000086584989 179309206 /nfs/dbraw/zinc/30/92/06/179309206.db2.gz WCQPLYQIYCRRSX-GJZGRUSLSA-N 0 3 298.814 2.458 10 0 CEAEHN COc1ccc([C@H](CN)N2CCOC[C@@H]2C)cc1Cl ZINC000086586485 179310057 /nfs/dbraw/zinc/31/00/57/179310057.db2.gz WJBKJOHDDSNARU-GWCFXTLKSA-N 0 3 284.787 2.069 10 0 CEAEHN Cc1nn(C)c(Sc2nc(C)c(C)c(C)n2)c1CN ZINC000086644094 179315951 /nfs/dbraw/zinc/31/59/51/179315951.db2.gz PYVDUDKLDVPNAW-UHFFFAOYSA-N 0 3 277.397 2.054 10 0 CEAEHN Cc1nc(Sc2cccc(C(=N)N)n2)nc(C)c1C ZINC000086643818 179315600 /nfs/dbraw/zinc/31/56/00/179315600.db2.gz AKNFUAYQLGIJCB-UHFFFAOYSA-N 0 3 273.365 2.232 10 0 CEAEHN COC(=O)[C@]1(NCC(C)C)CCCN(C(C)C)CC1 ZINC000086850277 179357550 /nfs/dbraw/zinc/35/75/50/179357550.db2.gz VTIHSIXBOJKBNF-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN COC(=O)[C@@]1(Nc2ccccc2F)CCCN(C)CC1 ZINC000086833335 179350020 /nfs/dbraw/zinc/35/00/20/179350020.db2.gz NLGQZRDGBZAISH-OAHLLOKOSA-N 0 3 280.343 2.265 10 0 CEAEHN CCN1CCC[C@@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851783 179359840 /nfs/dbraw/zinc/35/98/40/179359840.db2.gz DSWNRMCQSRIDGT-AWEZNQCLSA-N 0 3 266.389 2.027 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869099 179361350 /nfs/dbraw/zinc/36/13/50/179361350.db2.gz LSMPNFOOGBGZQN-DZGCQCFKSA-N 0 3 268.401 2.048 10 0 CEAEHN CCCN1CCC[C@H]([N@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869099 179361353 /nfs/dbraw/zinc/36/13/53/179361353.db2.gz LSMPNFOOGBGZQN-DZGCQCFKSA-N 0 3 268.401 2.048 10 0 CEAEHN CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869139 179362396 /nfs/dbraw/zinc/36/23/96/179362396.db2.gz IMWNFTNTWBNWNO-GOEBONIOSA-N 0 3 282.428 2.436 10 0 CEAEHN CC(C)N1CCC[C@H]([N@H+]2CCC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869139 179362398 /nfs/dbraw/zinc/36/23/98/179362398.db2.gz IMWNFTNTWBNWNO-GOEBONIOSA-N 0 3 282.428 2.436 10 0 CEAEHN COc1ccc(Br)cc1C=C1CNC1 ZINC000086882091 179365476 /nfs/dbraw/zinc/36/54/76/179365476.db2.gz IQPGLKXHPPDMLH-UHFFFAOYSA-N 0 3 254.127 2.444 10 0 CEAEHN COc1ccc([C@@H](CN)N(C)Cc2ccccn2)cc1F ZINC000086983606 179373827 /nfs/dbraw/zinc/37/38/27/179373827.db2.gz LOPBWYZEFOOUDQ-OAHLLOKOSA-N 0 3 289.354 2.361 10 0 CEAEHN Nc1ncc(Cl)cc1[C@H](N)[C@@H]1CSCCS1 ZINC000086983842 179373851 /nfs/dbraw/zinc/37/38/51/179373851.db2.gz DLYIBLNJKWHZTL-IUCAKERBSA-N 0 3 275.830 2.166 10 0 CEAEHN CCS(=O)(=O)CCCOc1cc(C)ccc1[C@H](C)NC ZINC000086973111 179371251 /nfs/dbraw/zinc/37/12/51/179371251.db2.gz XJIOGVLNYIIRRZ-ZDUSSCGKSA-N 0 3 299.436 2.479 10 0 CEAEHN CC[C@](C)(O)CNCC(=O)Nc1ccccc1Cl ZINC000087027956 179381992 /nfs/dbraw/zinc/38/19/92/179381992.db2.gz YKGIQWFXGIELRQ-ZDUSSCGKSA-N 0 3 270.760 2.029 10 0 CEAEHN CC[C@](C)(O)CNCc1cc2c(c(Cl)c1)OCO2 ZINC000087012760 179379607 /nfs/dbraw/zinc/37/96/07/179379607.db2.gz QYZKPNHZMLCFPI-ZDUSSCGKSA-N 0 3 271.744 2.319 10 0 CEAEHN COc1ccc([C@H](CN)N2C[C@@H](C)OC(C)(C)C2)cc1F ZINC000086991998 179375096 /nfs/dbraw/zinc/37/50/96/179375096.db2.gz PSSIFJGTHKIOGD-RISCZKNCSA-N 0 3 296.386 2.333 10 0 CEAEHN C[NH2+]C(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000087049220 179388840 /nfs/dbraw/zinc/38/88/40/179388840.db2.gz QOPUMFPWXMYXRL-UHFFFAOYSA-N 0 3 287.157 2.091 10 0 CEAEHN CCC1CCC(O)(CN[C@@H](C)c2nccn2C)CC1 ZINC000087053491 179388931 /nfs/dbraw/zinc/38/89/31/179388931.db2.gz KVVPRJOZUUKTJK-OPFPJEHXSA-N 0 3 265.401 2.402 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2cc(OC)c(OC)cc2OC)O1 ZINC000087090212 179394446 /nfs/dbraw/zinc/39/44/46/179394446.db2.gz ARUPHGAXQKWUSV-BMIGLBTASA-N 0 3 281.352 2.152 10 0 CEAEHN Cc1cccc(NC(=O)CNC[C@]2(O)CCC[C@H](C)C2)c1 ZINC000087065326 179390381 /nfs/dbraw/zinc/39/03/81/179390381.db2.gz UIWDMFCSQPULGZ-YOEHRIQHSA-N 0 3 290.407 2.464 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2c(OC)cc(OC)cc2OC)O1 ZINC000087090292 179393978 /nfs/dbraw/zinc/39/39/78/179393978.db2.gz NTEWABMSCCUHBF-YGRLFVJLSA-N 0 3 281.352 2.152 10 0 CEAEHN CC[C@H](C)SCc1ncc(CNCCOC)cn1 ZINC000087140048 179397299 /nfs/dbraw/zinc/39/72/99/179397299.db2.gz ZLIFZQHSRULZPO-NSHDSACASA-N 0 3 269.414 2.244 10 0 CEAEHN CNCc1cccc(Br)c1O[C@H](C)[C@H](C)O ZINC000087125548 179396133 /nfs/dbraw/zinc/39/61/33/179396133.db2.gz VNGSFFKVMARKNU-DTWKUNHWSA-N 0 3 288.185 2.317 10 0 CEAEHN Cc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)c(C)n1 ZINC000128886510 187396548 /nfs/dbraw/zinc/39/65/48/187396548.db2.gz GAKAIYOUXCIWDF-CQSZACIVSA-N 0 3 277.412 2.405 10 0 CEAEHN CCN1CCCOC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616644661 348545347 /nfs/dbraw/zinc/54/53/47/348545347.db2.gz BWRUBAUHVLPZNL-LBPRGKRZSA-N 0 3 272.389 2.012 10 0 CEAEHN CC(C)(C)OC(=O)NCC[C@@H]1CN(C(C)(C)C)CCO1 ZINC000616649444 348546773 /nfs/dbraw/zinc/54/67/73/348546773.db2.gz UDYZCYBXHJBNKH-GFCCVEGCSA-N 0 3 286.416 2.401 10 0 CEAEHN CCN1CCCO[C@H](c2cccc3nnccc32)C1 ZINC000616649412 348547173 /nfs/dbraw/zinc/54/71/73/348547173.db2.gz INTMQBDEQSBIDO-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(C)N1CCOC[C@@H](c2cccc(CCO)c2)C1 ZINC000616660738 348552203 /nfs/dbraw/zinc/55/22/03/348552203.db2.gz OCBAVWHIWGTXII-INIZCTEOSA-N 0 3 263.381 2.046 10 0 CEAEHN CNCc1cnc([C@H]2COc3ccccc3O2)s1 ZINC000087860217 179503487 /nfs/dbraw/zinc/50/34/87/179503487.db2.gz ZENMGUYVZCWXHI-GFCCVEGCSA-N 0 3 262.334 2.375 10 0 CEAEHN c1cnn([C@H]2CCN(Cc3ccccc3)CCO2)c1 ZINC000616662989 348553569 /nfs/dbraw/zinc/55/35/69/348553569.db2.gz NPUJBCKLENEBNH-OAHLLOKOSA-N 0 3 257.337 2.304 10 0 CEAEHN c1n[nH]cc1[C@@H]1CCN(Cc2ccccc2)CCO1 ZINC000616664987 348554362 /nfs/dbraw/zinc/55/43/62/348554362.db2.gz ZUESGHBAAMEVHU-HNNXBMFYSA-N 0 3 257.337 2.373 10 0 CEAEHN CC(C)N1CCO[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000616687289 348560575 /nfs/dbraw/zinc/56/05/75/348560575.db2.gz SCZPOHPTQMBQRU-LBPRGKRZSA-N 0 3 272.389 2.310 10 0 CEAEHN CCN1C(=O)CCC[C@@H](N)[C@@H]1c1cccc(COC)c1 ZINC000088553316 179622215 /nfs/dbraw/zinc/62/22/15/179622215.db2.gz VKSDSEPPZXFZLN-ZBFHGGJFSA-N 0 3 276.380 2.234 10 0 CEAEHN COc1cccc(NC(=O)CN[C@H]2CC=CCC2)c1 ZINC000088748430 179664314 /nfs/dbraw/zinc/66/43/14/179664314.db2.gz GNILBLGWGMFZMB-LBPRGKRZSA-N 0 3 260.337 2.332 10 0 CEAEHN OC[C@H]1CCCC[C@H]1CNCc1nccn1C(F)F ZINC000089527828 179809805 /nfs/dbraw/zinc/80/98/05/179809805.db2.gz KEHWHKPJUCOSSP-WDEREUQCSA-N 0 3 273.327 2.167 10 0 CEAEHN CCCCCN(C(C)C)[C@@H](CN)c1cncn1C ZINC000090167662 179924434 /nfs/dbraw/zinc/92/44/34/179924434.db2.gz BMMRPCWVHMUXQH-ZDUSSCGKSA-N 0 3 252.406 2.321 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1ccc(Cl)cc1Cl ZINC000623764897 350106424 /nfs/dbraw/zinc/10/64/24/350106424.db2.gz LJDBJVAMXSOUBQ-RYUDHWBXSA-N 0 3 276.163 2.233 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000623764751 350106659 /nfs/dbraw/zinc/10/66/59/350106659.db2.gz JKVNCWHZMNWVMR-WDEREUQCSA-N 0 3 276.163 2.233 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1cc(Cl)ccc1Cl ZINC000623767354 350107225 /nfs/dbraw/zinc/10/72/25/350107225.db2.gz UNTSTEICHBXYNX-NWDGAFQWSA-N 0 3 276.163 2.233 10 0 CEAEHN CC(C)c1ccccc1NC(=O)[C@]1(C)COC[C@@H]1N ZINC000090580475 180008853 /nfs/dbraw/zinc/00/88/53/180008853.db2.gz DFMNRKDJTAAQSI-DZGCQCFKSA-N 0 3 262.353 2.112 10 0 CEAEHN CCCCc1ccc(NC(=O)[C@]2(C)COC[C@H]2N)cc1 ZINC000090582909 180008886 /nfs/dbraw/zinc/00/88/86/180008886.db2.gz ROYLSMDEBDPNJI-GDBMZVCRSA-N 0 3 276.380 2.332 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090590022 180010091 /nfs/dbraw/zinc/01/00/91/180010091.db2.gz BTEYXAPPDBFCON-JSGCOSHPSA-N 0 3 280.393 2.101 10 0 CEAEHN CCOc1ccc(NC(=O)[C@]2(C)COC[C@H]2N)cc1Cl ZINC000090589799 180010594 /nfs/dbraw/zinc/01/05/94/180010594.db2.gz NEEXEJCGBJTZCB-TZMCWYRMSA-N 0 3 298.770 2.041 10 0 CEAEHN C[C@@H](O[C@@H](C)C(=O)Nc1ccccc1CN)C(F)(F)F ZINC000090671988 180020929 /nfs/dbraw/zinc/02/09/29/180020929.db2.gz HBKHWLYFJXOWQO-DTWKUNHWSA-N 0 3 290.285 2.440 10 0 CEAEHN CCCCC(=O)N1CCCSC[C@H]1CN(C)C ZINC000090699751 180027963 /nfs/dbraw/zinc/02/79/63/180027963.db2.gz UQCRYUIDSWUDRV-GFCCVEGCSA-N 0 3 258.431 2.072 10 0 CEAEHN CCCN(CCN(C)C)c1ncncc1Br ZINC000090782079 180039677 /nfs/dbraw/zinc/03/96/77/180039677.db2.gz LNUWKKQIQOHRRE-UHFFFAOYSA-N 0 3 287.205 2.017 10 0 CEAEHN COc1cccc([C@H](C)NC[C@H](C)[S@](C)=O)c1 ZINC000090842163 180043332 /nfs/dbraw/zinc/04/33/32/180043332.db2.gz JYFALXBOMBDHPW-PSVSLLHZSA-N 0 3 255.383 2.113 10 0 CEAEHN COCCNCc1cccc(S[C@@H](C)C(=O)OC)c1 ZINC000090873129 180050366 /nfs/dbraw/zinc/05/03/66/180050366.db2.gz IRVDTFVIKSKKRV-NSHDSACASA-N 0 3 283.393 2.076 10 0 CEAEHN OCC[C@H]1CCCN(C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090894784 180056370 /nfs/dbraw/zinc/05/63/70/180056370.db2.gz CMEJQCOCXLFGAQ-DOMZBBRYSA-N 0 3 279.355 2.224 10 0 CEAEHN CCN(CCC(=O)OC)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894717 180056435 /nfs/dbraw/zinc/05/64/35/180056435.db2.gz PIUBERYTLRFCCJ-ZDUSSCGKSA-N 0 3 281.327 2.014 10 0 CEAEHN CCNCc1nccn1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900416 180059380 /nfs/dbraw/zinc/05/93/80/180059380.db2.gz CLBNXJRTTINFQM-CQSZACIVSA-N 0 3 271.364 2.305 10 0 CEAEHN NC[C@H](c1c(F)cccc1Cl)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905686 180059840 /nfs/dbraw/zinc/05/98/40/180059840.db2.gz ZSWIGDNHPWMMIY-GBIKHYSHSA-N 0 3 284.762 2.342 10 0 CEAEHN Cc1ccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090905708 180059988 /nfs/dbraw/zinc/05/99/88/180059988.db2.gz JYPHQRBLGUZPDS-LZWOXQAQSA-N 0 3 260.381 2.166 10 0 CEAEHN CC(C)NCc1ccoc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907868 180061904 /nfs/dbraw/zinc/06/19/04/180061904.db2.gz IJDXXTHBMBTYAI-OKILXGFUSA-N 0 3 264.369 2.141 10 0 CEAEHN CC1(C)Cc2nc(N3C[C@H]4CC[C@@H](C3)O4)sc2[C@H](N)C1 ZINC000090908122 180062053 /nfs/dbraw/zinc/06/20/53/180062053.db2.gz KCDUWSSOUXJTNR-OUAUKWLOSA-N 0 3 293.436 2.483 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1csc([C@@H](C)N)n1 ZINC000090958311 180074612 /nfs/dbraw/zinc/07/46/12/180074612.db2.gz WACQARIKFSSGGP-GHMZBOCLSA-N 0 3 271.430 2.410 10 0 CEAEHN CC(=O)Nc1ccsc1CNC[C@H]1CCCC[C@@H]1O ZINC000090960825 180076415 /nfs/dbraw/zinc/07/64/15/180076415.db2.gz JKQJGQATKDGHGJ-YPMHNXCESA-N 0 3 282.409 2.347 10 0 CEAEHN COC(=O)C1CCN(C[C@@H]2Cc3ccccc32)CC1 ZINC000090981384 180079029 /nfs/dbraw/zinc/07/90/29/180079029.db2.gz ZRDALTAGDAGHBI-AWEZNQCLSA-N 0 3 259.349 2.211 10 0 CEAEHN O=C([C@H]1Cc2ccccc21)N1CCNCC12CCCCC2 ZINC000090985601 180080846 /nfs/dbraw/zinc/08/08/46/180080846.db2.gz YTUJGZXJWRSRRZ-INIZCTEOSA-N 0 3 284.403 2.461 10 0 CEAEHN COCCNCc1ccn(CCCOCC(F)(F)F)c1 ZINC000091004758 180084247 /nfs/dbraw/zinc/08/42/47/180084247.db2.gz YTNAEJZWLOVGSP-UHFFFAOYSA-N 0 3 294.317 2.193 10 0 CEAEHN CCn1cccc1CN[C@H](CC(C)C)C(=O)N(C)C ZINC000091023534 180088645 /nfs/dbraw/zinc/08/86/45/180088645.db2.gz PGLZIQDBAKGROZ-CQSZACIVSA-N 0 3 265.401 2.101 10 0 CEAEHN CCOCCCn1cc(CNCCOC)c2cccnc21 ZINC000091021273 180088828 /nfs/dbraw/zinc/08/88/28/180088828.db2.gz NMIVASQXUXSGBN-UHFFFAOYSA-N 0 3 291.395 2.199 10 0 CEAEHN CCCc1c(CNCCOC)cnn1-c1cc(C)ccn1 ZINC000091338324 180136207 /nfs/dbraw/zinc/13/62/07/180136207.db2.gz PBVCYRCJBOZXRY-UHFFFAOYSA-N 0 3 288.395 2.264 10 0 CEAEHN CCc1c(CNC2CC2)cnn1-c1cc(C)ccn1 ZINC000091338340 180136635 /nfs/dbraw/zinc/13/66/35/180136635.db2.gz LKJMASYDAYMHEJ-UHFFFAOYSA-N 0 3 256.353 2.390 10 0 CEAEHN O=C(Nc1ccccn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091358678 180140232 /nfs/dbraw/zinc/14/02/32/180140232.db2.gz QDNZLWRHNLEHFJ-AVGNSLFASA-N 0 3 259.353 2.331 10 0 CEAEHN Cc1cc([N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000091358735 180140682 /nfs/dbraw/zinc/14/06/82/180140682.db2.gz LSVIXZILUOZCME-WOPDTQHZSA-N 0 3 263.341 2.232 10 0 CEAEHN CCN(CC(C)C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276233 180120557 /nfs/dbraw/zinc/12/05/57/180120557.db2.gz RMLALMFFWBFPIC-ZDUSSCGKSA-N 0 3 250.390 2.196 10 0 CEAEHN CCCn1c(C[C@@H]2CNCCO2)nc2ccc(F)cc21 ZINC000091293351 180124229 /nfs/dbraw/zinc/12/42/29/180124229.db2.gz ULMHEGBOZPJNOI-GFCCVEGCSA-N 0 3 277.343 2.116 10 0 CEAEHN Cc1nn(C)c(C)c1Oc1cncc(CNC(C)C)n1 ZINC000091435584 180154338 /nfs/dbraw/zinc/15/43/38/180154338.db2.gz JQOONEDAYBYBAC-UHFFFAOYSA-N 0 3 275.356 2.117 10 0 CEAEHN Cc1ccc(C(=O)CN2CCC[C@@H](N(C)C)C2)cc1 ZINC000091395572 180146133 /nfs/dbraw/zinc/14/61/33/180146133.db2.gz FZXPEEIUDNTIPJ-OAHLLOKOSA-N 0 3 260.381 2.204 10 0 CEAEHN CC[C@H](C)N(CCOC)c1cncc(CNCC(C)C)n1 ZINC000091420642 180150664 /nfs/dbraw/zinc/15/06/64/180150664.db2.gz YZTWGFJEKBEBTE-AWEZNQCLSA-N 0 3 294.443 2.474 10 0 CEAEHN CCN(c1cncc(CNC)n1)c1ccccc1F ZINC000091420047 180150717 /nfs/dbraw/zinc/15/07/17/180150717.db2.gz HJCOEWUUTNTBNX-UHFFFAOYSA-N 0 3 260.316 2.493 10 0 CEAEHN c1nc2ccccc2n1-c1cncc(CNC2CC2)n1 ZINC000091422376 180151529 /nfs/dbraw/zinc/15/15/29/180151529.db2.gz PJUJFFUVQVJCIH-UHFFFAOYSA-N 0 3 265.320 2.068 10 0 CEAEHN CC(C)c1nn(C)c(N2CC[C@@H](N3CCCCC3)C2)c1N ZINC000091557890 180190703 /nfs/dbraw/zinc/19/07/03/180190703.db2.gz DQXWFTYARBHQJF-CYBMUJFWSA-N 0 3 291.443 2.190 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cc(Cl)cnc1N)N(C)C ZINC000091569712 180195680 /nfs/dbraw/zinc/19/56/80/180195680.db2.gz DOGQBYSKWGSYFU-PWSUYJOCSA-N 0 3 256.781 2.047 10 0 CEAEHN CCN(CC)[C@@](C)(CC)[C@@H](NC)c1nccn1C ZINC000091599371 180202685 /nfs/dbraw/zinc/20/26/85/180202685.db2.gz XNMCTUSIGWCWMM-JSGCOSHPSA-N 0 3 252.406 2.191 10 0 CEAEHN CC[C@](C)([C@H](NC)c1nccn1C)N1CCCCC1 ZINC000091609730 180205627 /nfs/dbraw/zinc/20/56/27/180205627.db2.gz YPDINPWNAJWOHS-UKRRQHHQSA-N 0 3 264.417 2.335 10 0 CEAEHN CC[C@@](C)([C@@H](O)Cc1cccc(C)c1)N1CCOCC1 ZINC000091611075 180206469 /nfs/dbraw/zinc/20/64/69/180206469.db2.gz MJSNKQSZYNNAOS-IRXDYDNUSA-N 0 3 277.408 2.399 10 0 CEAEHN CCN[C@@H](c1ccco1)[C@](C)(CC)N1CCOCC1 ZINC000091612891 180207549 /nfs/dbraw/zinc/20/75/49/180207549.db2.gz KNMHUQWACNHULP-GJZGRUSLSA-N 0 3 266.385 2.431 10 0 CEAEHN CCn1ccnc1[C@H](NC)C(CC)(CC)N(C)C ZINC000091614507 180207746 /nfs/dbraw/zinc/20/77/46/180207746.db2.gz OEMNRQFBLWLSBI-LBPRGKRZSA-N 0 3 252.406 2.284 10 0 CEAEHN CCCN[C@H](c1cnccn1)[C@](C)(CC)N1CCOCC1 ZINC000091613100 180208102 /nfs/dbraw/zinc/20/81/02/180208102.db2.gz IEUSQAMPKPUTIC-CVEARBPZSA-N 0 3 292.427 2.018 10 0 CEAEHN CCn1ccnc1[C@H](NC)C1(N(C)C)CCCCC1 ZINC000091647605 180215490 /nfs/dbraw/zinc/21/54/90/180215490.db2.gz BTWAORDNUMDSQU-ZDUSSCGKSA-N 0 3 264.417 2.428 10 0 CEAEHN CN1CCC[C@@H]1CCOc1nc(Cl)ncc1F ZINC000091655013 180217171 /nfs/dbraw/zinc/21/71/71/180217171.db2.gz QHWADHUYNKEBID-MRVPVSSYSA-N 0 3 259.712 2.132 10 0 CEAEHN Nc1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(C(F)F)c1 ZINC000091662671 180219967 /nfs/dbraw/zinc/21/99/67/180219967.db2.gz QCAVRDXOWWKMMG-VXGBXAGGSA-N 0 3 297.349 2.482 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721805 180239731 /nfs/dbraw/zinc/23/97/31/180239731.db2.gz LNYBCKHJKXRKOT-HYVNUMGLSA-N 0 3 290.407 2.209 10 0 CEAEHN CCCN[C@H](c1ccccc1OC)[C@@H]1CN(C)CCO1 ZINC000091718987 180233763 /nfs/dbraw/zinc/23/37/63/180233763.db2.gz RXMZTKJEGSACFW-JKSUJKDBSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@@H](c1cccc(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000091718566 180233796 /nfs/dbraw/zinc/23/37/96/180233796.db2.gz AAOHXSYTFPPCBU-KBPBESRZSA-N 0 3 268.788 2.321 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1)[C@@H]1CN(C)CCO1 ZINC000091719255 180234342 /nfs/dbraw/zinc/23/43/42/180234342.db2.gz XTYKEKNSFOURFK-JKSUJKDBSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCOc1ccc([C@H](N)[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720721 180237048 /nfs/dbraw/zinc/23/70/48/180237048.db2.gz BLJCRWMYGHFWMM-PVAVHDDUSA-N 0 3 290.407 2.338 10 0 CEAEHN CN[C@H](C)c1cccn1CC(=O)Nc1ccccc1 ZINC000091800740 180258936 /nfs/dbraw/zinc/25/89/36/180258936.db2.gz GMNWROXHOXKVCX-GFCCVEGCSA-N 0 3 257.337 2.407 10 0 CEAEHN COc1ccccc1NC(=O)Cn1cccc1[C@H](C)N ZINC000091799834 180259024 /nfs/dbraw/zinc/25/90/24/180259024.db2.gz MAYBZRJUNRQJTE-NSHDSACASA-N 0 3 273.336 2.155 10 0 CEAEHN C[C@H]1CCCN(C(=O)N(C)c2cccc(CN)c2)C1 ZINC000091972750 180296244 /nfs/dbraw/zinc/29/62/44/180296244.db2.gz IYCUFBQDPJNFTL-LBPRGKRZSA-N 0 3 261.369 2.433 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@H](C)C(=O)N(CC)CC ZINC000091994664 180300993 /nfs/dbraw/zinc/30/09/93/180300993.db2.gz FRSIBYBJQWHSPH-CYBMUJFWSA-N 0 3 293.411 2.135 10 0 CEAEHN CCCCNC(=O)COc1ccc(C)nc1CNC(C)C ZINC000091995389 180301878 /nfs/dbraw/zinc/30/18/78/180301878.db2.gz AJHSPZPKRVVLNS-UHFFFAOYSA-N 0 3 293.411 2.183 10 0 CEAEHN C[C@H]1CN(c2cncc(CNC(C)(C)C)n2)C[C@H]1C ZINC000092088907 180321485 /nfs/dbraw/zinc/32/14/85/180321485.db2.gz TVDUGOCKQRQBGB-TXEJJXNPSA-N 0 3 262.401 2.457 10 0 CEAEHN CCNCc1cn(C[C@@H]2COc3ccccc32)nc1C ZINC000092306686 180360419 /nfs/dbraw/zinc/36/04/19/180360419.db2.gz XVXTXRZHPDCMBO-CQSZACIVSA-N 0 3 271.364 2.477 10 0 CEAEHN CCCN[C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1 ZINC000105832465 186075359 /nfs/dbraw/zinc/07/53/59/186075359.db2.gz WEBWZYLDBHVBAT-ZFWWWQNUSA-N 0 3 288.391 2.431 10 0 CEAEHN COc1cccc(CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105919689 186089480 /nfs/dbraw/zinc/08/94/80/186089480.db2.gz OSMBHNDSFXFMNO-HNNXBMFYSA-N 0 3 286.379 2.199 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)cc2)CCN1CCOC ZINC000106113384 186102854 /nfs/dbraw/zinc/10/28/54/186102854.db2.gz NGVAHFUXQRLZTN-MRXNPFEDSA-N 0 3 280.387 2.368 10 0 CEAEHN Cc1nn(C)c(C)c1CNC1=NC[C@@H](C2CC2)S1 ZINC000092341163 180366083 /nfs/dbraw/zinc/36/60/83/180366083.db2.gz BABXCVCLXCXDMH-LBPRGKRZSA-N 0 3 264.398 2.008 10 0 CEAEHN Cc1cc(NC(=O)[C@H](CN)Cc2ccccc2)ccn1 ZINC000092349302 180366936 /nfs/dbraw/zinc/36/69/36/180366936.db2.gz VCWKMPCGGVSLSN-AWEZNQCLSA-N 0 3 269.348 2.146 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@H]1Sc1nc[nH]n1 ZINC000092389672 180375320 /nfs/dbraw/zinc/37/53/20/180375320.db2.gz GYLSXKYEFABFMN-OLZOCXBDSA-N 0 3 290.392 2.181 10 0 CEAEHN CC(C)[C@H](CO)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000092392106 180375829 /nfs/dbraw/zinc/37/58/29/180375829.db2.gz NZKKUJLJAUXNJX-LBPRGKRZSA-N 0 3 285.771 2.218 10 0 CEAEHN CCNc1ccnc(CN2CCN(C(C)C)CC2)c1 ZINC000092418189 180381329 /nfs/dbraw/zinc/38/13/29/180381329.db2.gz IWWKBKXIIPBRRV-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@@H]1n1nc(C)nc1C ZINC000092386148 180373721 /nfs/dbraw/zinc/37/37/21/180373721.db2.gz PTUAGONYMLHAIR-HOTGVXAUSA-N 0 3 286.379 2.352 10 0 CEAEHN CN1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000173401142 282710276 /nfs/dbraw/zinc/71/02/76/282710276.db2.gz KKIZYPVQRLOXDC-GJZGRUSLSA-N 0 3 264.413 2.413 10 0 CEAEHN COC[C@H](N)Cc1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000109511268 186258721 /nfs/dbraw/zinc/25/87/21/186258721.db2.gz UFRHYWCYCLRGGU-RRHJKOLHSA-N 0 3 291.395 2.054 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC(F)(F)C[C@@H]1C ZINC000625980897 350619520 /nfs/dbraw/zinc/61/95/20/350619520.db2.gz WSYKOAUQLIRKTQ-NWDGAFQWSA-N 0 3 265.344 2.284 10 0 CEAEHN Cc1cc(C)c([C@H](C)NCCc2nncn2C)c(C)n1 ZINC000109422535 186251225 /nfs/dbraw/zinc/25/12/25/186251225.db2.gz XMYSULZPMDVYEY-LBPRGKRZSA-N 0 3 273.384 2.029 10 0 CEAEHN CCC[C@H](C)CN1CCN([C@@H](CC)C(N)=S)CC1 ZINC000109469408 186253653 /nfs/dbraw/zinc/25/36/53/186253653.db2.gz OYJBZVTVBBHLDI-STQMWFEESA-N 0 3 271.474 2.105 10 0 CEAEHN CCC[C@@H](C(N)=S)N1CCN(CCC(C)C)CC1 ZINC000109470055 186253683 /nfs/dbraw/zinc/25/36/83/186253683.db2.gz YQQBJLQMYWUXCB-ZDUSSCGKSA-N 0 3 271.474 2.105 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(C[C@@H](C)CC)CC1 ZINC000109470207 186254909 /nfs/dbraw/zinc/25/49/09/186254909.db2.gz YVHZSAXIKLNGDC-QWHCGFSZSA-N 0 3 271.474 2.105 10 0 CEAEHN CC(C)(C)NCc1cc(O[C@@H]2CCOC2)ccn1 ZINC000110532393 186301866 /nfs/dbraw/zinc/30/18/66/186301866.db2.gz DMFGPZMUPDHXDW-CYBMUJFWSA-N 0 3 250.342 2.137 10 0 CEAEHN CCOc1cc(N[C@H]2CCCN(C)C2)c(N)cc1F ZINC000110633313 186307254 /nfs/dbraw/zinc/30/72/54/186307254.db2.gz TZQVSSJSNLBXCV-JTQLQIEISA-N 0 3 267.348 2.313 10 0 CEAEHN CN1CC[C@@H](Nc2cc(OC(F)F)c(F)cc2N)C1 ZINC000110638927 186307837 /nfs/dbraw/zinc/30/78/37/186307837.db2.gz JGIFHHQGXXFAIG-SSDOTTSWSA-N 0 3 275.274 2.125 10 0 CEAEHN CCOC(=O)[C@@H](CN(C)CC1CCCC1)NC(C)C ZINC000110841129 186328025 /nfs/dbraw/zinc/32/80/25/186328025.db2.gz QJZKCRHIAIIHDG-CQSZACIVSA-N 0 3 270.417 2.038 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2ccc(C)c(F)c2)CCO1 ZINC000110977103 186338544 /nfs/dbraw/zinc/33/85/44/186338544.db2.gz JPAUEQAQKAPKTQ-ZFWWWQNUSA-N 0 3 266.360 2.245 10 0 CEAEHN CCOc1ccc(N)cc1CN1CCN(CC)[C@@H](C)C1 ZINC000110702364 186313959 /nfs/dbraw/zinc/31/39/59/186313959.db2.gz CLHQOCVEQMJSDO-ZDUSSCGKSA-N 0 3 277.412 2.194 10 0 CEAEHN CN(C[C@H]1CCCOC1)[C@@H](CN)c1ccc(F)cc1F ZINC000111158973 186361861 /nfs/dbraw/zinc/36/18/61/186361861.db2.gz GPMJAUITNNNAEP-ABAIWWIYSA-N 0 3 284.350 2.323 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2cccc(F)c2)C1 ZINC000147743070 539807218 /nfs/dbraw/zinc/80/72/18/539807218.db2.gz NEUKAHGFVYHHTN-DOMZBBRYSA-N 0 3 266.360 2.197 10 0 CEAEHN c1ccc(-n2nnnc2CNC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111087932 186351537 /nfs/dbraw/zinc/35/15/37/186351537.db2.gz REVRMLCFPVHUTE-MJBXVCDLSA-N 0 3 283.379 2.188 10 0 CEAEHN CCOCCN(CC)Cc1ccc(OC)c(N)c1 ZINC000111116787 186354124 /nfs/dbraw/zinc/35/41/24/186354124.db2.gz KXASDBMCGGLMCM-UHFFFAOYSA-N 0 3 252.358 2.136 10 0 CEAEHN CN(C)CCN(C)C(=O)c1cc2ccccc2cc1N ZINC000111137355 186356979 /nfs/dbraw/zinc/35/69/79/186356979.db2.gz QQWFHBOGCZCXST-UHFFFAOYSA-N 0 3 271.364 2.056 10 0 CEAEHN CC(C)c1ccc(C(=O)CN(C)CCN(C)C)cc1 ZINC000111139613 186357087 /nfs/dbraw/zinc/35/70/87/186357087.db2.gz FGQLKPMJPJGSLW-UHFFFAOYSA-N 0 3 262.397 2.486 10 0 CEAEHN COc1ccc(C(=O)CN(C)CCCN(C)C)cc1Cl ZINC000111140154 186357654 /nfs/dbraw/zinc/35/76/54/186357654.db2.gz OUZOLRHXINBXEZ-UHFFFAOYSA-N 0 3 298.814 2.415 10 0 CEAEHN CN(C)CCN(C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000111143352 186358980 /nfs/dbraw/zinc/35/89/80/186358980.db2.gz UYEJRUJKFCCVGS-QGZVFWFLSA-N 0 3 272.392 2.367 10 0 CEAEHN OCCN1CCCN(Cc2csc3ccccc23)CC1 ZINC000111314392 186396394 /nfs/dbraw/zinc/39/63/94/186396394.db2.gz DWGXHMJBEJHQAQ-UHFFFAOYSA-N 0 3 290.432 2.401 10 0 CEAEHN Cc1cc(F)ccc1NC(=O)c1ccc(CN)cn1 ZINC000111281136 186388938 /nfs/dbraw/zinc/38/89/38/186388938.db2.gz XMICBHVDGQNCRI-UHFFFAOYSA-N 0 3 259.284 2.240 10 0 CEAEHN Cc1c(Cl)ncnc1N[C@@H](CN(C)C)C(C)C ZINC000111297616 186392754 /nfs/dbraw/zinc/39/27/54/186392754.db2.gz QQJUYDMJYHDEJY-JTQLQIEISA-N 0 3 256.781 2.437 10 0 CEAEHN C[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)C(C)(C)C ZINC000112461181 186499552 /nfs/dbraw/zinc/49/95/52/186499552.db2.gz KRKZDEJRGHSEJP-NEPJUHHUSA-N 0 3 255.406 2.157 10 0 CEAEHN CCCCCCNS(=O)(=O)c1ccccc1CN ZINC000070468336 363089801 /nfs/dbraw/zinc/08/98/01/363089801.db2.gz LGGDMGRXQIMPKO-UHFFFAOYSA-N 0 3 270.398 2.004 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@@H](C)c1cnccn1 ZINC000070479115 363089818 /nfs/dbraw/zinc/08/98/18/363089818.db2.gz KBEXYRAMVRXYTL-QWHCGFSZSA-N 0 3 250.390 2.104 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000151598599 539954346 /nfs/dbraw/zinc/95/43/46/539954346.db2.gz NQSRDWJRIKNPRV-CWRNSKLLSA-N 0 3 272.392 2.261 10 0 CEAEHN CC(C)c1ccc([C@H](C)NC(=O)COC2(C)CNC2)cc1 ZINC000098060468 539960848 /nfs/dbraw/zinc/96/08/48/539960848.db2.gz NUUXGVLBMYFZQT-ZDUSSCGKSA-N 0 3 290.407 2.366 10 0 CEAEHN C[C@H](NC[C@@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000151271191 187955864 /nfs/dbraw/zinc/95/58/64/187955864.db2.gz QHZYRIFLHWIVDE-GXTWGEPZSA-N 0 3 298.377 2.462 10 0 CEAEHN O=C(Nc1cccc2c1CCNC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250224343 539964813 /nfs/dbraw/zinc/96/48/13/539964813.db2.gz VLDQYUYUWWMSQL-CLLJXQQHSA-N 0 3 256.349 2.317 10 0 CEAEHN COCc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000155535724 188213302 /nfs/dbraw/zinc/21/33/02/188213302.db2.gz LQGYTQUYDTVRTM-CJNGLKHVSA-N 0 3 290.407 2.292 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000155625681 188217614 /nfs/dbraw/zinc/21/76/14/188217614.db2.gz KXASRPQXCMUJOC-YGRLFVJLSA-N 0 3 282.334 2.423 10 0 CEAEHN Cc1ccccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000155411078 188205000 /nfs/dbraw/zinc/20/50/00/188205000.db2.gz PZWHJVMADMJQIR-DZGCQCFKSA-N 0 3 260.381 2.454 10 0 CEAEHN CN(C[C@H](c1cccs1)N1CCOCC1)CC1CC1 ZINC000156208395 188249257 /nfs/dbraw/zinc/24/92/57/188249257.db2.gz FKHMSWATTQJRFD-CQSZACIVSA-N 0 3 280.437 2.463 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000155699908 188222639 /nfs/dbraw/zinc/22/26/39/188222639.db2.gz IGZDGBRAVDFLHL-DZGCQCFKSA-N 0 3 260.381 2.454 10 0 CEAEHN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)N)o1 ZINC000157379036 188314006 /nfs/dbraw/zinc/31/40/06/188314006.db2.gz IJPCTNSJFYWJCN-WZRBSPASSA-N 0 3 264.369 2.489 10 0 CEAEHN c1csc([C@@H]2CN(CCN3CCCCC3)CCO2)n1 ZINC000132345995 366136929 /nfs/dbraw/zinc/13/69/29/366136929.db2.gz ADPFHKOSJJFJPH-ZDUSSCGKSA-N 0 3 281.425 2.002 10 0 CEAEHN C[C@H]1CC[C@H](C(=O)Nc2ccc(OCCN(C)C)cc2)O1 ZINC000132980930 366186206 /nfs/dbraw/zinc/18/62/06/366186206.db2.gz IEHWMPSMKRTQAB-SWLSCSKDSA-N 0 3 292.379 2.133 10 0 CEAEHN Cc1nc([C@@H]2CN(C[C@@H]3CCC[C@H](C)C3)CCO2)n[nH]1 ZINC000133414303 366222808 /nfs/dbraw/zinc/22/28/08/366222808.db2.gz KITRSJNMRBBKOR-YUTCNCBUSA-N 0 3 278.400 2.313 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NCc1ccc(CO)o1 ZINC000271765069 191313835 /nfs/dbraw/zinc/31/38/35/191313835.db2.gz ADXYFIULYCFLQL-AWEZNQCLSA-N 0 3 288.391 2.382 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccncc2F)=C[C@H](N)C1 ZINC000675078067 540118932 /nfs/dbraw/zinc/11/89/32/540118932.db2.gz MAISVBHTSBVKQV-NSHDSACASA-N 0 3 293.342 2.182 10 0 CEAEHN CN1C[C@H](NCc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000675076079 540117417 /nfs/dbraw/zinc/11/74/17/540117417.db2.gz TZASLWNVZKGJCE-ZDUSSCGKSA-N 0 3 254.324 2.395 10 0 CEAEHN CC(C)CN[S@@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675076479 540117597 /nfs/dbraw/zinc/11/75/97/540117597.db2.gz XQBPHICCQUHYMN-GOSISDBHSA-N 0 3 267.398 2.419 10 0 CEAEHN Cc1ccc(CN2CC[C@H]3OCCN[C@@H]3C2)c(Cl)c1 ZINC000404257783 540120642 /nfs/dbraw/zinc/12/06/42/540120642.db2.gz MWDHAVLJILMFKT-HUUCEWRRSA-N 0 3 280.799 2.211 10 0 CEAEHN C[C@@H]1CC[C@@H](NC(=O)NCCN(C)C)c2ccccc21 ZINC000133936564 366268584 /nfs/dbraw/zinc/26/85/84/366268584.db2.gz MCSHOGGWSQWFEU-IUODEOHRSA-N 0 3 275.396 2.486 10 0 CEAEHN C[C@H]1CC[C@@H](NC(=O)NCCN(C)C)c2ccccc21 ZINC000133936794 366268618 /nfs/dbraw/zinc/26/86/18/366268618.db2.gz MCSHOGGWSQWFEU-SWLSCSKDSA-N 0 3 275.396 2.486 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000133901582 366265912 /nfs/dbraw/zinc/26/59/12/366265912.db2.gz GBFBLMHFVCHORM-ZDUSSCGKSA-N 0 3 290.342 2.386 10 0 CEAEHN C[C@H]1C[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000075978038 363503800 /nfs/dbraw/zinc/50/38/00/363503800.db2.gz WDVQJMKVSJIYDY-GOEBONIOSA-N 0 3 287.407 2.312 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1ccc(Cl)nc1)N(C)C ZINC000134360642 366312793 /nfs/dbraw/zinc/31/27/93/366312793.db2.gz KBJHRRSDRFOKDH-LBPRGKRZSA-N 0 3 283.803 2.424 10 0 CEAEHN C[C@H](NC[C@@H](O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000268849662 299302890 /nfs/dbraw/zinc/30/28/90/299302890.db2.gz COGIOAOTFZLLJK-SMDDNHRTSA-N 0 3 299.436 2.148 10 0 CEAEHN NCc1cc(I)ccc1Cl ZINC000095751979 283527662 /nfs/dbraw/zinc/52/76/62/283527662.db2.gz OWSHJPHIDSNERZ-UHFFFAOYSA-N 0 3 267.497 2.403 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1COc2ccccc21 ZINC000177032636 189022512 /nfs/dbraw/zinc/02/25/12/189022512.db2.gz IBDYPMUJHKJLQJ-DZGCQCFKSA-N 0 3 288.391 2.105 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1CCC(=O)OC(C)(C)C ZINC000178297463 189103652 /nfs/dbraw/zinc/10/36/52/189103652.db2.gz LGVAARNILLXFOJ-CQSZACIVSA-N 0 3 293.411 2.388 10 0 CEAEHN C[C@H](N[C@@H]1CCNC1=O)c1ccc2ccccc2c1 ZINC000179059517 189165973 /nfs/dbraw/zinc/16/59/73/189165973.db2.gz CPRMYPIVSJDDON-XHDPSFHLSA-N 0 3 254.333 2.379 10 0 CEAEHN CC1(C)CC[C@@H](N[C@@H]2CCNC2=O)c2ccccc21 ZINC000676234988 540907610 /nfs/dbraw/zinc/90/76/10/540907610.db2.gz XLELTGNMOGWFEG-ZIAGYGMSSA-N 0 3 258.365 2.277 10 0 CEAEHN CCc1cnc(CN[C@@H]2CCCCC[C@H]2O)s1 ZINC000342207849 216260850 /nfs/dbraw/zinc/26/08/50/216260850.db2.gz UBYAOBSAKZMDFL-VXGBXAGGSA-N 0 3 254.399 2.489 10 0 CEAEHN CCn1cc(CN2CCC[C@@H]2Cn2ccnc2C)cn1 ZINC000180123170 189238058 /nfs/dbraw/zinc/23/80/58/189238058.db2.gz JYKWRFKXAHAUOW-OAHLLOKOSA-N 0 3 273.384 2.073 10 0 CEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc2ccccc2n1 ZINC000180490458 189258520 /nfs/dbraw/zinc/25/85/20/189258520.db2.gz PGVNADQWMNPOGX-DZGCQCFKSA-N 0 3 285.391 2.216 10 0 CEAEHN CC[C@H](NC[C@H]1CN(C)CCO1)c1cc(C)ccc1OC ZINC000180490904 189258253 /nfs/dbraw/zinc/25/82/53/189258253.db2.gz RKPLLEFTJSZURI-HOCLYGCPSA-N 0 3 292.423 2.375 10 0 CEAEHN c1nc2n(n1)C[C@H](N[C@H]1CCSc3ccccc31)CC2 ZINC000180579278 189263057 /nfs/dbraw/zinc/26/30/57/189263057.db2.gz CYWDOHVLOZZGNK-YPMHNXCESA-N 0 3 286.404 2.420 10 0 CEAEHN CCc1ccc([C@@H](C)N[C@H]2CCc3ncnn3C2)o1 ZINC000180597878 189264644 /nfs/dbraw/zinc/26/46/44/189264644.db2.gz RFOPSLCIFJIKPX-MNOVXSKESA-N 0 3 260.341 2.099 10 0 CEAEHN COC(=O)c1oc([C@H](C)N2CCN3CCC[C@@H]3C2)cc1C ZINC000180623901 189266225 /nfs/dbraw/zinc/26/62/25/189266225.db2.gz YDTUNSVURZZAGC-QWHCGFSZSA-N 0 3 292.379 2.216 10 0 CEAEHN COC(=O)c1oc([C@@H](C)N2CCN3CCC[C@@H]3C2)cc1C ZINC000180623884 189266342 /nfs/dbraw/zinc/26/63/42/189266342.db2.gz YDTUNSVURZZAGC-CHWSQXEVSA-N 0 3 292.379 2.216 10 0 CEAEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000180497744 189258970 /nfs/dbraw/zinc/25/89/70/189258970.db2.gz PANBDUUZNVGTJK-KOLCDFICSA-N 0 3 288.313 2.085 10 0 CEAEHN O[C@@H]1CCCN[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000003622562 361286750 /nfs/dbraw/zinc/28/67/50/361286750.db2.gz XMOKTMYFZDJYQI-SJORKVTESA-N 0 3 283.371 2.035 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000236996549 370674274 /nfs/dbraw/zinc/67/42/74/370674274.db2.gz KGLDHIMIEYIQRU-ZYHUDNBSSA-N 0 3 294.399 2.422 10 0 CEAEHN N[C@H](Cn1ccnc1)c1cccc(Br)c1 ZINC000011848840 361366700 /nfs/dbraw/zinc/36/67/00/361366700.db2.gz QKXJYJXWDBDHJZ-LLVKDONJSA-N 0 3 266.142 2.346 10 0 CEAEHN Oc1ccc2c(c1)O[C@@H](CNCc1ccco1)CC2 ZINC000012355978 361378962 /nfs/dbraw/zinc/37/89/62/361378962.db2.gz VGDCLOXHDNBUQX-CQSZACIVSA-N 0 3 259.305 2.469 10 0 CEAEHN CCC[C@@H](NC1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000154861514 366794538 /nfs/dbraw/zinc/79/45/38/366794538.db2.gz NARPCGIHCRAJQA-CYBMUJFWSA-N 0 3 270.417 2.181 10 0 CEAEHN C[C@@]1(CN2CCN3CCCC[C@@H]3C2)CCCS1 ZINC000155820876 366823171 /nfs/dbraw/zinc/82/31/71/366823171.db2.gz HOETYGAWPIQZIU-KGLIPLIRSA-N 0 3 254.443 2.442 10 0 CEAEHN COCc1nc(CNCC(C)(C)CCCO)cs1 ZINC000678500391 541144051 /nfs/dbraw/zinc/14/40/51/541144051.db2.gz ONESZOAMQFSZRB-UHFFFAOYSA-N 0 3 272.414 2.178 10 0 CEAEHN O=C(c1cc(-c2ccccc2)on1)N1CCN2CCC[C@H]2C1 ZINC000028233181 361668834 /nfs/dbraw/zinc/66/88/34/361668834.db2.gz KPDITNLIOYSMER-AWEZNQCLSA-N 0 3 297.358 2.262 10 0 CEAEHN Cc1ccc(CN2C[C@@H]3CCCCN3C[C@@H]2C)cn1 ZINC000094434566 364272582 /nfs/dbraw/zinc/27/25/82/364272582.db2.gz NHAZDPVBZUDWAT-HOCLYGCPSA-N 0 3 259.397 2.449 10 0 CEAEHN Cc1ccccc1CCN[C@@H](C)C(=O)N1CCCC1 ZINC000095082552 364336647 /nfs/dbraw/zinc/33/66/47/364336647.db2.gz JEAUORBBFZLMQZ-AWEZNQCLSA-N 0 3 260.381 2.138 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC2(C)COC2)c1C ZINC000094721885 364290466 /nfs/dbraw/zinc/29/04/66/364290466.db2.gz GQVGVMKPPUKAJN-SNVBAGLBSA-N 0 3 251.374 2.207 10 0 CEAEHN Nc1nccc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000156213241 366829038 /nfs/dbraw/zinc/82/90/38/366829038.db2.gz RUOYIAIJNPRFGT-AWEZNQCLSA-N 0 3 283.379 2.135 10 0 CEAEHN Nc1c(F)cccc1CN1CCN2CCCC[C@@H]2C1 ZINC000156399182 366832687 /nfs/dbraw/zinc/83/26/87/366832687.db2.gz RUGTYEBUVPCJBI-CYBMUJFWSA-N 0 3 263.360 2.078 10 0 CEAEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H](C)COC ZINC000103435144 364653402 /nfs/dbraw/zinc/65/34/02/364653402.db2.gz IDYMTCDSCXVUNT-AWEZNQCLSA-N 0 3 292.423 2.379 10 0 CEAEHN Cn1nccc1CNCc1ccnc2ccccc12 ZINC000104425032 364697131 /nfs/dbraw/zinc/69/71/31/364697131.db2.gz FBUWGFCTFQTNTF-UHFFFAOYSA-N 0 3 252.321 2.258 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC1CCC1 ZINC000111826904 364762983 /nfs/dbraw/zinc/76/29/83/364762983.db2.gz JPZJOMMLFFXGMG-AWEZNQCLSA-N 0 3 269.433 2.404 10 0 CEAEHN CC(C)CCc1noc(CN2C[C@H]3CCCN3C[C@H]2C)n1 ZINC000113268958 364882343 /nfs/dbraw/zinc/88/23/43/364882343.db2.gz SSUWNNHOGYNGEI-ZIAGYGMSSA-N 0 3 292.427 2.327 10 0 CEAEHN Cn1cc([C@H]2CCN(Cc3ccc4c(c3)CCO4)C2)cn1 ZINC000116311909 365049530 /nfs/dbraw/zinc/04/95/30/365049530.db2.gz MRTQRFABTFICLX-HNNXBMFYSA-N 0 3 283.375 2.345 10 0 CEAEHN Cn1cc([C@H]2CCN(Cc3cccc4c3OCCO4)C2)cn1 ZINC000116311810 365049975 /nfs/dbraw/zinc/04/99/75/365049975.db2.gz ZKPDNQJIGNXBPP-ZDUSSCGKSA-N 0 3 299.374 2.181 10 0 CEAEHN CN(C)C[C@H](NC(=O)CC1CCOCC1)c1ccccc1 ZINC000117125899 365092209 /nfs/dbraw/zinc/09/22/09/365092209.db2.gz ZXDCRAQQKVXDTR-INIZCTEOSA-N 0 3 290.407 2.222 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](C)c1c(C)noc1C)N(C)C ZINC000120366131 365413966 /nfs/dbraw/zinc/41/39/66/365413966.db2.gz IBNUDDLULKJOIK-ZWNOBZJWSA-N 0 3 281.400 2.241 10 0 CEAEHN CCOCCN1CCN(Cc2ccc(OC)cc2)C[C@@H]1C ZINC000120895537 365492178 /nfs/dbraw/zinc/49/21/78/365492178.db2.gz IRULDXDMSRBYAZ-HNNXBMFYSA-N 0 3 292.423 2.238 10 0 CEAEHN COc1cc([C@H]2C[C@@H](CO)CN(C)C2)c(OC)cc1C ZINC000169318767 367367413 /nfs/dbraw/zinc/36/74/13/367367413.db2.gz VJIMYMUYEJOURM-OLZOCXBDSA-N 0 3 279.380 2.040 10 0 CEAEHN COc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000171077790 367473368 /nfs/dbraw/zinc/47/33/68/367473368.db2.gz IQRHSPITBBWQCU-LLVKDONJSA-N 0 3 281.331 2.002 10 0 CEAEHN CCOc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000171079646 367473803 /nfs/dbraw/zinc/47/38/03/367473803.db2.gz HFXZSWQNAYUNGP-CYBMUJFWSA-N 0 3 277.368 2.253 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)sc1C ZINC000170855883 367431956 /nfs/dbraw/zinc/43/19/56/367431956.db2.gz BSYPXUSFPKMRQA-NSHDSACASA-N 0 3 252.383 2.141 10 0 CEAEHN Cc1ccc(CCC(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000170857175 367432495 /nfs/dbraw/zinc/43/24/95/367432495.db2.gz XFCCGEICMZOPIS-MRXNPFEDSA-N 0 3 274.408 2.399 10 0 CEAEHN CC[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000170856162 367432766 /nfs/dbraw/zinc/43/27/66/367432766.db2.gz MMDSLOJQNARJEV-LSDHHAIUSA-N 0 3 260.381 2.343 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)cc1F ZINC000170861231 367432979 /nfs/dbraw/zinc/43/29/79/367432979.db2.gz BDJRIFAOFFEYMM-JQWIXIFHSA-N 0 3 297.349 2.371 10 0 CEAEHN CC(C)c1nc(C(=O)N2CC[C@@H](N(C)C)C2)cs1 ZINC000170868301 367436360 /nfs/dbraw/zinc/43/63/60/367436360.db2.gz UCVCGVJNKXQXPJ-SNVBAGLBSA-N 0 3 267.398 2.043 10 0 CEAEHN O=C(NCc1ccccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000171807195 367619987 /nfs/dbraw/zinc/61/99/87/367619987.db2.gz MJKAFZXONDHVTF-CYBMUJFWSA-N 0 3 293.798 2.330 10 0 CEAEHN O=C(c1coc(-c2ccccc2)n1)N1CCN2CCC[C@@H]2C1 ZINC000172349739 367723119 /nfs/dbraw/zinc/72/31/19/367723119.db2.gz XFRFHLXZNVRSJT-CQSZACIVSA-N 0 3 297.358 2.262 10 0 CEAEHN Fc1ccccc1OCCN1CCN2CCCC[C@@H]2C1 ZINC000172805476 367821402 /nfs/dbraw/zinc/82/14/02/367821402.db2.gz IDPYWVFBWAPSJP-CQSZACIVSA-N 0 3 278.371 2.375 10 0 CEAEHN Cc1nc(C)c(CN2CCC[C@H](Cn3cncn3)C2)s1 ZINC000172799295 367821985 /nfs/dbraw/zinc/82/19/85/367821985.db2.gz IXYMWGBFBYOUFD-ZDUSSCGKSA-N 0 3 291.424 2.264 10 0 CEAEHN Cc1ccc2cccc(C(=O)N3CCN4CCC[C@@H]4C3)c2n1 ZINC000172843543 367827321 /nfs/dbraw/zinc/82/73/21/367827321.db2.gz CEGDUVYQZPFLCF-OAHLLOKOSA-N 0 3 295.386 2.463 10 0 CEAEHN Cc1nc(-c2ccccc2)oc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000174584751 368043715 /nfs/dbraw/zinc/04/37/15/368043715.db2.gz GMPLUALZOIXUNJ-AWEZNQCLSA-N 0 3 299.374 2.426 10 0 CEAEHN Cc1nc(-c2ccccc2)oc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000174584763 368043979 /nfs/dbraw/zinc/04/39/79/368043979.db2.gz GMPLUALZOIXUNJ-CQSZACIVSA-N 0 3 299.374 2.426 10 0 CEAEHN CCN(CC)CC(=O)N[C@@H](C)COCc1ccccc1 ZINC000174588011 368045222 /nfs/dbraw/zinc/04/52/22/368045222.db2.gz DZDFHKLVYIZRRG-AWEZNQCLSA-N 0 3 278.396 2.050 10 0 CEAEHN C[C@H](CCOc1ccccc1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000174288855 368006595 /nfs/dbraw/zinc/00/65/95/368006595.db2.gz PDNALGPPNMPMEL-CABCVRRESA-N 0 3 290.407 2.254 10 0 CEAEHN C[C@H](CCNCc1ccc(CO)o1)NC(=O)OC(C)(C)C ZINC000174355638 368014717 /nfs/dbraw/zinc/01/47/17/368014717.db2.gz XMMVGEIPFVEAKR-LLVKDONJSA-N 0 3 298.383 2.165 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1 ZINC000175360754 368129226 /nfs/dbraw/zinc/12/92/26/368129226.db2.gz GHRFDGGXWRRWPM-OAHLLOKOSA-N 0 3 275.396 2.041 10 0 CEAEHN Cc1[nH]ccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000175824555 368179583 /nfs/dbraw/zinc/17/95/83/368179583.db2.gz RICXABMBHHKCGR-GFCCVEGCSA-N 0 3 251.374 2.029 10 0 CEAEHN O[C@H](CNc1ncc(Cl)cc1F)CN1CCCCC1 ZINC000175399351 368133514 /nfs/dbraw/zinc/13/35/14/368133514.db2.gz AIAFYOCAQODNAJ-LLVKDONJSA-N 0 3 287.766 2.133 10 0 CEAEHN CC(C)C[C@H](C)OCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000176298077 368220725 /nfs/dbraw/zinc/22/07/25/368220725.db2.gz KIBWRQHODRBWHV-LSDHHAIUSA-N 0 3 282.428 2.134 10 0 CEAEHN CCCC[C@@H](COC)NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000177526409 368269947 /nfs/dbraw/zinc/26/99/47/368269947.db2.gz YIRUTFDWPBIICS-GJZGRUSLSA-N 0 3 299.459 2.317 10 0 CEAEHN COc1ccc([C@@H](NC[C@@H]2CN(C)CCO2)C(C)C)cc1 ZINC000180163437 368369295 /nfs/dbraw/zinc/36/92/95/368369295.db2.gz XPKJYQHUCZOMEY-SJORKVTESA-N 0 3 292.423 2.313 10 0 CEAEHN C[C@H](NCC(=O)N(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000182185099 368532530 /nfs/dbraw/zinc/53/25/30/368532530.db2.gz DJQPWSUFVSWSAU-QWRGUYRKSA-N 0 3 291.420 2.466 10 0 CEAEHN Cn1cc([C@@H]2CCCN2Cc2ccc(CO)cc2)cn1 ZINC000182745056 368585924 /nfs/dbraw/zinc/58/59/24/368585924.db2.gz JFDQFQFOYRMEBE-INIZCTEOSA-N 0 3 271.364 2.250 10 0 CEAEHN c1ccc(-c2nc(N3CCN4CCC[C@@H]4C3)no2)cc1 ZINC000184566488 368703405 /nfs/dbraw/zinc/70/34/05/368703405.db2.gz SENHEUCSVYEKHK-CYBMUJFWSA-N 0 3 270.336 2.021 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2nc(C)ccc2OC)C1 ZINC000184266231 368684822 /nfs/dbraw/zinc/68/48/22/368684822.db2.gz VXJUQISVNAZZTG-GFCCVEGCSA-N 0 3 292.383 2.004 10 0 CEAEHN Cc1csc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000246168585 370920118 /nfs/dbraw/zinc/92/01/18/370920118.db2.gz FGSCPKGPLPXWQQ-KOLCDFICSA-N 0 3 282.413 2.302 10 0 CEAEHN CN(C)C[C@H]1CN(CCSCc2ccccc2)CCO1 ZINC000186417167 368972027 /nfs/dbraw/zinc/97/20/27/368972027.db2.gz ODENPNVVPNMWJC-INIZCTEOSA-N 0 3 294.464 2.182 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2cncc(C)c2)C12CCOCC2 ZINC000186435696 368973800 /nfs/dbraw/zinc/97/38/00/368973800.db2.gz WZZPSSODXLETNE-JKSUJKDBSA-N 0 3 290.407 2.454 10 0 CEAEHN CCC[C@@H](C(=O)N1CCC([C@@H]2CCCO2)CC1)N(C)C ZINC000187585527 369183113 /nfs/dbraw/zinc/18/31/13/369183113.db2.gz QIKGWCRGRQOCMX-GJZGRUSLSA-N 0 3 282.428 2.134 10 0 CEAEHN COCc1nc2n(n1)CCC[C@H]2NCCC(C)(C)C ZINC000188099783 369295634 /nfs/dbraw/zinc/29/56/34/369295634.db2.gz DPAWVHKEIUEZSZ-LLVKDONJSA-N 0 3 266.389 2.285 10 0 CEAEHN CCN1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000246419378 370959178 /nfs/dbraw/zinc/95/91/78/370959178.db2.gz SLDJRSVPFDUVFG-OLZOCXBDSA-N 0 3 279.384 2.433 10 0 CEAEHN Cc1ccn(C)c1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000189115572 369460517 /nfs/dbraw/zinc/46/05/17/369460517.db2.gz MFNSYESBKZVRSU-CYBMUJFWSA-N 0 3 265.401 2.040 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189636050 369550735 /nfs/dbraw/zinc/55/07/35/369550735.db2.gz ITKISCRTWYOIIS-LBPRGKRZSA-N 0 3 255.406 2.157 10 0 CEAEHN COC(=O)C1CCC(N[C@H]2COc3ccccc32)CC1 ZINC000192445204 369814716 /nfs/dbraw/zinc/81/47/16/369814716.db2.gz FHUXTCTXHVZLHQ-YIZWMMSDSA-N 0 3 275.348 2.442 10 0 CEAEHN CCCCOC[C@H](O)CN[C@@H](C)c1cccc(O)c1 ZINC000195213234 370115535 /nfs/dbraw/zinc/11/55/35/370115535.db2.gz OCBSHOCDQXTJIU-SWLSCSKDSA-N 0 3 267.369 2.220 10 0 CEAEHN CC(C)CC[C@H](N)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000637883335 370145172 /nfs/dbraw/zinc/14/51/72/370145172.db2.gz ONXPKBUAQXFKIZ-UONOGXRCSA-N 0 3 276.380 2.390 10 0 CEAEHN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1 ZINC000224936548 370284575 /nfs/dbraw/zinc/28/45/75/370284575.db2.gz DLVQUINFSLXRMA-CMPLNLGQSA-N 0 3 280.372 2.070 10 0 CEAEHN CCN[C@@H](C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000638096000 370296925 /nfs/dbraw/zinc/29/69/25/370296925.db2.gz JOMVZKIJWYDAFK-QWRGUYRKSA-N 0 3 267.398 2.195 10 0 CEAEHN COCCCCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227361278 370369748 /nfs/dbraw/zinc/36/97/48/370369748.db2.gz PYZVZLISIVZAML-GJZGRUSLSA-N 0 3 254.418 2.362 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1cccs1 ZINC000227905535 370389254 /nfs/dbraw/zinc/38/92/54/370389254.db2.gz MLXOXTQLNWWHOY-LBPRGKRZSA-N 0 3 257.399 2.358 10 0 CEAEHN Cc1ccc(C(=O)CCN2C[C@H](N(C)C)[C@@H](C)C2)cc1 ZINC000226104878 370328705 /nfs/dbraw/zinc/32/87/05/370328705.db2.gz UNUOPIPOHVQPNN-HOCLYGCPSA-N 0 3 274.408 2.450 10 0 CEAEHN CC[C@@H]1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000246721309 371000186 /nfs/dbraw/zinc/00/01/86/371000186.db2.gz ADMVZFKZMBEQEE-MGPQQGTHSA-N 0 3 267.417 2.157 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)CSc1ccccc1 ZINC000247017347 371047163 /nfs/dbraw/zinc/04/71/63/371047163.db2.gz FZOURKHDMSEUEN-KBPBESRZSA-N 0 3 290.432 2.474 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000246840907 371018756 /nfs/dbraw/zinc/01/87/56/371018756.db2.gz DKYAFTAGBYBYID-GRYCIOLGSA-N 0 3 282.409 2.082 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000247200233 371075049 /nfs/dbraw/zinc/07/50/49/371075049.db2.gz BULYPOHBAHCMLF-QLFBSQMISA-N 0 3 264.413 2.365 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1Cc1cnc(Cl)s1 ZINC000247233093 371079988 /nfs/dbraw/zinc/07/99/88/371079988.db2.gz SHTSFNXDHZCVLX-UWVGGRQHSA-N 0 3 271.817 2.465 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2cccc(Cl)c2)C[C@@H]1C ZINC000247772040 371140575 /nfs/dbraw/zinc/14/05/75/371140575.db2.gz PMDQUUYDHKKATJ-STQMWFEESA-N 0 3 282.815 2.227 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000247772606 371141519 /nfs/dbraw/zinc/14/15/19/371141519.db2.gz PQGRZUMKLXFRGY-RDBSUJKOSA-N 0 3 280.387 2.274 10 0 CEAEHN CN(CCN1CCOC[C@H]1C1CC1)Cc1ccc(F)cc1 ZINC000248554357 371211246 /nfs/dbraw/zinc/21/12/46/371211246.db2.gz KAXOCFURMKKEGE-KRWDZBQOSA-N 0 3 292.398 2.368 10 0 CEAEHN O[C@H](CN1CC[C@@H](Oc2cccnc2)C1)C1CCCCC1 ZINC000249141328 371300149 /nfs/dbraw/zinc/30/01/49/371300149.db2.gz WFMMFRGBYBOYAD-IAGOWNOFSA-N 0 3 290.407 2.476 10 0 CEAEHN CC(C)C[C@@H]1OCCC[C@H]1NC[C@@H](O)C(F)(F)F ZINC000249422549 371321682 /nfs/dbraw/zinc/32/16/82/371321682.db2.gz HSFSWBOZTPWEAB-OUAUKWLOSA-N 0 3 269.307 2.093 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@H]2CCC[C@H]2O)c1C ZINC000250459075 371384526 /nfs/dbraw/zinc/38/45/26/371384526.db2.gz URQGLMICIBYECF-ZLKJLUDKSA-N 0 3 265.401 2.331 10 0 CEAEHN Cc1nnc(NC[C@@H]2NCCc3ccccc32)s1 ZINC000261563052 371650456 /nfs/dbraw/zinc/65/04/56/371650456.db2.gz GUCOOJAIZYFRPI-LBPRGKRZSA-N 0 3 260.366 2.145 10 0 CEAEHN NC1(C(=O)NCc2csc3ccccc23)CCOCC1 ZINC000261902300 371766900 /nfs/dbraw/zinc/76/69/00/371766900.db2.gz RSSFAZCYOFWYFH-UHFFFAOYSA-N 0 3 290.388 2.025 10 0 CEAEHN O=C(Nc1ccc(F)cn1)c1ccc2c(c1)CNC2 ZINC000131183863 284310870 /nfs/dbraw/zinc/31/08/70/284310870.db2.gz VXBWGKQFTMBHMG-UHFFFAOYSA-N 0 3 257.268 2.076 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@@H]1O ZINC000270493600 372811913 /nfs/dbraw/zinc/81/19/13/372811913.db2.gz AXFPBXDRSWBHPC-WBMJQRKESA-N 0 3 256.349 2.438 10 0 CEAEHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CNCCOC1 ZINC000643634964 373226772 /nfs/dbraw/zinc/22/67/72/373226772.db2.gz PIUUSJNMULVWBH-AAEUAGOBSA-N 0 3 296.798 2.095 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cccc(Cl)c2C)CCCN1 ZINC000643614688 373221184 /nfs/dbraw/zinc/22/11/84/373221184.db2.gz HSWJHBYAQACWLX-CQSZACIVSA-N 0 3 282.771 2.356 10 0 CEAEHN C[C@@H](NC(=O)[C@H]1NCC1(C)C)c1cc(F)ccc1F ZINC000644017619 373342394 /nfs/dbraw/zinc/34/23/94/373342394.db2.gz ASLZTIIINRIPFB-PRHODGIISA-N 0 3 268.307 2.140 10 0 CEAEHN Cc1nn(C)cc1[C@@H](C)N[C@H](CO)C1CCCCC1 ZINC000386092746 321867751 /nfs/dbraw/zinc/86/77/51/321867751.db2.gz GJUCWTSXGUCKPI-IAQYHMDHSA-N 0 3 265.401 2.320 10 0 CEAEHN CC(C)Oc1ccccc1CN[C@H]1CCC(=O)N[C@H]1C ZINC000282406001 375476113 /nfs/dbraw/zinc/47/61/13/375476113.db2.gz PYKQXZPSVMFUGY-JSGCOSHPSA-N 0 3 276.380 2.231 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H]2CCc3ccc(C)cc32)C1 ZINC000165261813 541998826 /nfs/dbraw/zinc/99/88/26/541998826.db2.gz OTOLCCLPWSIUSG-NVXWUHKLSA-N 0 3 274.408 2.293 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1cc(F)ccc1F ZINC000282417546 375480194 /nfs/dbraw/zinc/48/01/94/375480194.db2.gz QPEYMUYURAILLW-RWEMILLDSA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@@H](CNCc1cccnc1)N(C)C(=O)OC(C)(C)C ZINC000282825428 375586381 /nfs/dbraw/zinc/58/63/81/375586381.db2.gz NRDHGBSUNKPUEA-LBPRGKRZSA-N 0 3 279.384 2.427 10 0 CEAEHN CCN(CCOCCO)Cc1ccc2ccccc2n1 ZINC000312690885 376723496 /nfs/dbraw/zinc/72/34/96/376723496.db2.gz BVGOCHZLZSFQBT-UHFFFAOYSA-N 0 3 274.364 2.066 10 0 CEAEHN CCN1CC[C@@H](N[C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509329 376852473 /nfs/dbraw/zinc/85/24/73/376852473.db2.gz MVOJFXNSBPIGOP-MLGOLLRUSA-N 0 3 275.396 2.390 10 0 CEAEHN Cc1cc([C@H](C)N[C@H]2CCC(=O)N[C@H]2C)cs1 ZINC000296396182 378516495 /nfs/dbraw/zinc/51/64/95/378516495.db2.gz KEBBUECVTBEMRQ-NHCYSSNCSA-N 0 3 252.383 2.374 10 0 CEAEHN C[C@@H](O)CN1CCN(CC(C)(C)c2ccccc2)C[C@H]1C ZINC000180084592 542260380 /nfs/dbraw/zinc/26/03/80/542260380.db2.gz MONJIIYXEASIQT-HZPDHXFCSA-N 0 3 290.451 2.351 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)c1nccc(C(F)(F)F)n1 ZINC000267021583 190298006 /nfs/dbraw/zinc/29/80/06/190298006.db2.gz JRYIWQJAPLROQO-SNVBAGLBSA-N 0 3 288.317 2.416 10 0 CEAEHN CNCc1c(Cl)cccc1N(CCO)C1CC1 ZINC000042480317 184553831 /nfs/dbraw/zinc/55/38/31/184553831.db2.gz FSKBCNWZHRORHQ-UHFFFAOYSA-N 0 3 254.761 2.021 10 0 CEAEHN CN(Cc1ccc(Cl)s1)[C@@H](CN)c1cnn(C)c1 ZINC000042488710 184554494 /nfs/dbraw/zinc/55/44/94/184554494.db2.gz TWDANWQDZVJGJR-NSHDSACASA-N 0 3 284.816 2.267 10 0 CEAEHN CNCc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000088962734 184615644 /nfs/dbraw/zinc/61/56/44/184615644.db2.gz WULSYJBHEACDEI-LBPRGKRZSA-N 0 3 296.436 2.133 10 0 CEAEHN CCOC(OCC)[C@@H](N)c1ccc2c(c1)OCCCO2 ZINC000093306650 184662219 /nfs/dbraw/zinc/66/22/19/184662219.db2.gz NXDYVDDAQZAOGK-AWEZNQCLSA-N 0 3 281.352 2.247 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1C ZINC000080999133 177752557 /nfs/dbraw/zinc/75/25/57/177752557.db2.gz JNHILFGRBKKETH-ZDUSSCGKSA-N 0 3 262.353 2.474 10 0 CEAEHN CC[C@H]1CC[C@](NCc2cccs2)(C(N)=O)C1 ZINC000080467522 177656462 /nfs/dbraw/zinc/65/64/62/177656462.db2.gz UCRGENAYZQIDEF-GXFFZTMASA-N 0 3 252.383 2.272 10 0 CEAEHN Cc1ccc(C[C@@H](C)N[C@H](C)C(=O)N(C)C)s1 ZINC000080245166 177630819 /nfs/dbraw/zinc/63/08/19/177630819.db2.gz FBKAEYNLWWOITD-MWLCHTKSSA-N 0 3 254.399 2.054 10 0 CEAEHN CC(C)CCNC(=O)COc1ccc(CNC(C)C)nc1 ZINC000094210801 184763461 /nfs/dbraw/zinc/76/34/61/184763461.db2.gz SWRSSKPLVPEFJA-UHFFFAOYSA-N 0 3 293.411 2.121 10 0 CEAEHN CC[C@](C)(N)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000094235530 184767575 /nfs/dbraw/zinc/76/75/75/184767575.db2.gz HUXSNAYCFXSVMH-HIFRSBDPSA-N 0 3 296.798 2.367 10 0 CEAEHN CCC(N)(CC)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000094243592 184769519 /nfs/dbraw/zinc/76/95/19/184769519.db2.gz AWEQYWVFVPNFEB-UHFFFAOYSA-N 0 3 263.341 2.101 10 0 CEAEHN NCc1c(F)cccc1O[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000094361801 184789067 /nfs/dbraw/zinc/78/90/67/184789067.db2.gz MXSHUGRSQBDFRD-NHYWBVRUSA-N 0 3 281.327 2.001 10 0 CEAEHN CCCC1(O)CN([C@H]2CCOC3(CCCC3)C2)C1 ZINC000094411131 184794532 /nfs/dbraw/zinc/79/45/32/184794532.db2.gz ZWAAVLKAMGJALM-ZDUSSCGKSA-N 0 3 253.386 2.325 10 0 CEAEHN CCCC1(O)CN([C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094411130 184794592 /nfs/dbraw/zinc/79/45/92/184794592.db2.gz ZWAAVLKAMGJALM-CYBMUJFWSA-N 0 3 253.386 2.325 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000262167523 131197006 /nfs/dbraw/zinc/19/70/06/131197006.db2.gz WLDXLQUGJQPUMP-DOMZBBRYSA-N 0 3 282.384 2.299 10 0 CEAEHN CCCC[C@H](N)C(=O)N1CCCc2cc(OC)ccc21 ZINC000040833539 134871754 /nfs/dbraw/zinc/87/17/54/134871754.db2.gz MVZUCQNISYRQSB-AWEZNQCLSA-N 0 3 276.380 2.492 10 0 CEAEHN CCN(CC)c1ccc(N2CCC[C@@H](NC)C2=O)cc1 ZINC000071031304 134954746 /nfs/dbraw/zinc/95/47/46/134954746.db2.gz XBVCWWDUUHFKPA-OAHLLOKOSA-N 0 3 275.396 2.248 10 0 CEAEHN COc1cc(F)ccc1N1CCNC[C@H]1C(C)C ZINC000083393384 135018045 /nfs/dbraw/zinc/01/80/45/135018045.db2.gz IRCNLTAICBFJOV-ZDUSSCGKSA-N 0 3 252.333 2.269 10 0 CEAEHN N[C@@H]1CCCN(c2c(Cl)cccc2Cl)C1=O ZINC000083848969 135031362 /nfs/dbraw/zinc/03/13/62/135031362.db2.gz DFKLJVHUSWAYCC-SECBINFHSA-N 0 3 259.136 2.448 10 0 CEAEHN c1cc(N2CCC[C@H]3CCC[C@@H]32)nnc1CNC1CC1 ZINC000087783582 135051472 /nfs/dbraw/zinc/05/14/72/135051472.db2.gz WQYLTILPMMFIPD-DOMZBBRYSA-N 0 3 272.396 2.498 10 0 CEAEHN CCNC[C@@H](C)S(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000088914935 135057647 /nfs/dbraw/zinc/05/76/47/135057647.db2.gz BRKVEFLAEAPNPL-QWHCGFSZSA-N 0 3 296.436 2.156 10 0 CEAEHN CNCc1cncc(N2CCC(C(C)(C)C)CC2)n1 ZINC000091418163 135069482 /nfs/dbraw/zinc/06/94/82/135069482.db2.gz NOIDWINGHDDTRJ-UHFFFAOYSA-N 0 3 262.401 2.459 10 0 CEAEHN CCN[C@@H]1CCCN(c2cc(C)cc(F)c2)C1=O ZINC000091527219 135070944 /nfs/dbraw/zinc/07/09/44/135070944.db2.gz DODHZSUJWGZAAR-CYBMUJFWSA-N 0 3 250.317 2.239 10 0 CEAEHN CN(C)c1ccc(N2CCN3CCCC[C@@H]3C2)cc1 ZINC000094432124 135087119 /nfs/dbraw/zinc/08/71/19/135087119.db2.gz VWVJKYABYZSHMN-MRXNPFEDSA-N 0 3 259.397 2.427 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(Cl)c(CO)n1 ZINC000094440237 135088041 /nfs/dbraw/zinc/08/80/41/135088041.db2.gz XUYYTABMAXJQEV-VXGBXAGGSA-N 0 3 295.814 2.290 10 0 CEAEHN Cc1cc(N2C[C@H]3OCCN(C)[C@@H]3C2)c2ccccc2n1 ZINC000301635527 394463360 /nfs/dbraw/zinc/46/33/60/394463360.db2.gz DXRZOIZSIGBWSC-IAGOWNOFSA-N 0 3 283.375 2.062 10 0 CEAEHN CCC[C@@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000236908279 394489115 /nfs/dbraw/zinc/48/91/15/394489115.db2.gz DUCWJEPJWMEZGY-GFCCVEGCSA-N 0 3 250.317 2.232 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2ccccn2c1 ZINC000245462193 394499927 /nfs/dbraw/zinc/49/99/27/394499927.db2.gz NRSBOSAYGVLYSD-CJNGLKHVSA-N 0 3 283.375 2.248 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1nc(C)sc1C ZINC000246498836 394516598 /nfs/dbraw/zinc/51/65/98/394516598.db2.gz BAGGJMKKFFTYSD-OLZOCXBDSA-N 0 3 293.436 2.459 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccccc2C)C1 ZINC000052500675 394557932 /nfs/dbraw/zinc/55/79/32/394557932.db2.gz PBWMCKGGHLWMQO-OAHLLOKOSA-N 0 3 275.396 2.279 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCC[C@H]2C)C1 ZINC000246835394 394522520 /nfs/dbraw/zinc/52/25/20/394522520.db2.gz DXSWKKUAFRZSJG-MCIONIFRSA-N 0 3 267.417 2.299 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CCCc2cccnc21 ZINC000248844524 394548162 /nfs/dbraw/zinc/54/81/62/394548162.db2.gz SPTRJLGTLMEBBW-VNQPRFMTSA-N 0 3 299.418 2.197 10 0 CEAEHN CCC[C@H](C(=O)NC[C@](C)(O)C1CCCCC1)N(C)C ZINC000190498136 395340060 /nfs/dbraw/zinc/34/00/60/395340060.db2.gz BLFGMYVCQSFFEJ-ZBFHGGJFSA-N 0 3 284.444 2.164 10 0 CEAEHN CC[C@](C)(O)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000435908550 395396932 /nfs/dbraw/zinc/39/69/32/395396932.db2.gz PFBVLEFHYYWBGK-VOCYLRNQSA-N 0 3 288.435 2.478 10 0 CEAEHN O=C(c1cccc2ncccc21)N1CCN2CCC[C@H]2C1 ZINC000195325955 395464460 /nfs/dbraw/zinc/46/44/60/395464460.db2.gz KNDVYYITAKWWBS-ZDUSSCGKSA-N 0 3 281.359 2.155 10 0 CEAEHN N=C(N)c1nccc2cc(Br)ccc21 ZINC000575436413 395664260 /nfs/dbraw/zinc/66/42/60/395664260.db2.gz IGRWTTXNUWIXIW-UHFFFAOYSA-N 0 3 250.099 2.281 10 0 CEAEHN C[C@@H](NC(=O)[C@H](N)CC(F)F)c1cc(F)ccc1F ZINC000388457083 400532765 /nfs/dbraw/zinc/53/27/65/400532765.db2.gz ZVUCIFHTAPSVLX-LHLIQPBNSA-N 0 3 278.249 2.125 10 0 CEAEHN C[C@@H](COCc1ccccc1)NC[C@@](C)(O)C(F)(F)F ZINC000390634312 400540827 /nfs/dbraw/zinc/54/08/27/400540827.db2.gz CHZYGHDLQRZTSO-WCQYABFASA-N 0 3 291.313 2.495 10 0 CEAEHN CCOC(=O)[C@H](CNCc1ccccc1)SC ZINC000584642101 400613264 /nfs/dbraw/zinc/61/32/64/400613264.db2.gz DSTAFOLCXPUOQK-LBPRGKRZSA-N 0 3 253.367 2.071 10 0 CEAEHN COc1ccc(CN2CC[C@H](CCO)C2)cc1F ZINC000227567736 153347356 /nfs/dbraw/zinc/34/73/56/153347356.db2.gz BCFFXMHCHQIDFR-LLVKDONJSA-N 0 3 253.317 2.039 10 0 CEAEHN CCCC[C@H](C)NC1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263516366 154111963 /nfs/dbraw/zinc/11/19/63/154111963.db2.gz OVFFWNURKLHYQM-HIFPTAJRSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCC[C@H](C)NC1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263516366 154111960 /nfs/dbraw/zinc/11/19/60/154111960.db2.gz OVFFWNURKLHYQM-HIFPTAJRSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCC[C@H](C)[NH2+]C1CC(N(CC)CC(=O)[O-])C1 ZINC000263516366 154111955 /nfs/dbraw/zinc/11/19/55/154111955.db2.gz OVFFWNURKLHYQM-HIFPTAJRSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN(C(=O)N[C@@H]1CCCN(CC)C1)C1CC1 ZINC000171430595 162384858 /nfs/dbraw/zinc/38/48/58/162384858.db2.gz WSIQBFKXVMPOEL-GFCCVEGCSA-N 0 3 253.390 2.055 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cc(C)cnc2OC)C1 ZINC000174976930 165122570 /nfs/dbraw/zinc/12/25/70/165122570.db2.gz FJRRCPBHWMUWJA-GFCCVEGCSA-N 0 3 292.383 2.004 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCOC1CCCC1 ZINC000177485072 165201193 /nfs/dbraw/zinc/20/11/93/165201193.db2.gz JFICSOUUWMWCCP-AWEZNQCLSA-N 0 3 297.443 2.071 10 0 CEAEHN Cc1nnc([C@H](C)N2CCC[C@@H]2Cn2ccnc2C)o1 ZINC000178330608 165235586 /nfs/dbraw/zinc/23/55/86/165235586.db2.gz MLKQGMSKGRMWIF-GXFFZTMASA-N 0 3 275.356 2.109 10 0 CEAEHN CCn1c(C)nnc1CN1CCN(C)CC12CCCCC2 ZINC000178403493 165239046 /nfs/dbraw/zinc/23/90/46/165239046.db2.gz VIGOORZWEBKIPA-UHFFFAOYSA-N 0 3 291.443 2.057 10 0 CEAEHN Cc1oncc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000181712468 165351818 /nfs/dbraw/zinc/35/18/18/165351818.db2.gz WRBRWNRSKGMNHY-CYBMUJFWSA-N 0 3 272.352 2.312 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)N(C)c1ccccc1 ZINC000020189504 171055438 /nfs/dbraw/zinc/05/54/38/171055438.db2.gz HYYGOXMSJKENPC-UHFFFAOYSA-N 0 3 290.388 2.279 10 0 CEAEHN C=COCCCNCc1cc(OC)c(OC)cc1OC ZINC000020197062 171061131 /nfs/dbraw/zinc/06/11/31/171061131.db2.gz BXODRSPAPBIIFK-UHFFFAOYSA-N 0 3 281.352 2.352 10 0 CEAEHN c1ccc2nc(CN[C@H]3CN4CCC3CC4)ccc2c1 ZINC000020246356 171098996 /nfs/dbraw/zinc/09/89/96/171098996.db2.gz HJZYMWZRQAZHDV-KRWDZBQOSA-N 0 3 267.376 2.419 10 0 CEAEHN CN(CCC(N)=S)Cc1ccc2ccccc2n1 ZINC000020246559 171099869 /nfs/dbraw/zinc/09/98/69/171099869.db2.gz OBBBAGPFXVYMBA-UHFFFAOYSA-N 0 3 259.378 2.343 10 0 CEAEHN C[C@@H](N)c1ccccc1O[C@@H](C)C(=O)N1CCCCC1 ZINC000020419367 171184280 /nfs/dbraw/zinc/18/42/80/171184280.db2.gz KDYCCQOEGQREJI-OLZOCXBDSA-N 0 3 276.380 2.486 10 0 CEAEHN Brc1ccc(N[C@H]2CN3CCC2CC3)nc1 ZINC000021011730 171287166 /nfs/dbraw/zinc/28/71/66/171287166.db2.gz PMRWTRRKMBLJOB-NSHDSACASA-N 0 3 282.185 2.350 10 0 CEAEHN CC(=O)Nc1ccc(NC(=O)CNC2CCCC2)cc1 ZINC000021266132 171300448 /nfs/dbraw/zinc/30/04/48/171300448.db2.gz QZCRNCIWMZANTN-UHFFFAOYSA-N 0 3 275.352 2.116 10 0 CEAEHN Cc1ccc(S(=O)(=O)[N-]c2cccc(C[NH3+])c2)cc1 ZINC000022149650 171358153 /nfs/dbraw/zinc/35/81/53/171358153.db2.gz ARTWRLODPOJPHD-UHFFFAOYSA-N 0 3 276.361 2.255 10 0 CEAEHN CC(C)CNC(=O)[C@H](C)N[C@@H]1CCc2ccccc21 ZINC000035180614 172034562 /nfs/dbraw/zinc/03/45/62/172034562.db2.gz BBXIMHIPCQZANR-SWLSCSKDSA-N 0 3 260.381 2.424 10 0 CEAEHN CCNCc1c(N2CCSCC2)nc2sccn12 ZINC000035430004 172198351 /nfs/dbraw/zinc/19/83/51/172198351.db2.gz VCUOIMAYKSZPEK-UHFFFAOYSA-N 0 3 282.438 2.059 10 0 CEAEHN CCCN(c1nc2sccn2c1CNC)C1CC1 ZINC000035430162 172199021 /nfs/dbraw/zinc/19/90/21/172199021.db2.gz CCJBMSVXDLOGRA-UHFFFAOYSA-N 0 3 264.398 2.494 10 0 CEAEHN CN[C@H](c1ccc(OC)c(OC)c1)[C@H]1CCCO1 ZINC000035463411 172211837 /nfs/dbraw/zinc/21/18/37/172211837.db2.gz RRQREHSEYLBPRR-TZMCWYRMSA-N 0 3 251.326 2.143 10 0 CEAEHN CN[C@H](c1cccs1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488372 172223086 /nfs/dbraw/zinc/22/30/86/172223086.db2.gz HGCFKANAPKEKLJ-LBPRGKRZSA-N 0 3 259.334 2.227 10 0 CEAEHN C[C@@H](NC1CCS(=O)(=O)CC1)c1cccc(F)c1 ZINC000035652361 172329440 /nfs/dbraw/zinc/32/94/40/172329440.db2.gz RHULXKAQFOCSHF-SNVBAGLBSA-N 0 3 271.357 2.054 10 0 CEAEHN CCNCc1cc(Cl)cc(Cl)c1O[C@H](C)C(N)=O ZINC000035662079 172340326 /nfs/dbraw/zinc/34/03/26/172340326.db2.gz NHRYLEGMOIOTBB-SSDOTTSWSA-N 0 3 291.178 2.356 10 0 CEAEHN N[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000035679687 172350227 /nfs/dbraw/zinc/35/02/27/172350227.db2.gz GMRFBKXJFHGCQH-SSDOTTSWSA-N 0 3 278.661 2.423 10 0 CEAEHN COC1CCN([C@H](CN)c2ccc(Cl)cc2)CC1 ZINC000037265900 173075248 /nfs/dbraw/zinc/07/52/48/173075248.db2.gz GPZNJCYYBMVOAF-CQSZACIVSA-N 0 3 268.788 2.451 10 0 CEAEHN CCOCCNCc1cccc(OCC)c1OC ZINC000037269103 173081317 /nfs/dbraw/zinc/08/13/17/173081317.db2.gz JNUJCFBWFSJUTB-UHFFFAOYSA-N 0 3 253.342 2.220 10 0 CEAEHN COc1ccccc1CC(=O)Nc1cccc(CN)c1 ZINC000037295976 173099871 /nfs/dbraw/zinc/09/98/71/173099871.db2.gz PJCGFLQCFWRGPU-UHFFFAOYSA-N 0 3 270.332 2.335 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000037388697 173172237 /nfs/dbraw/zinc/17/22/37/173172237.db2.gz XQXPOSSGCWWGJO-SECBINFHSA-N 0 3 298.770 2.453 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc3cccc(Cl)c3n2C)C1 ZINC000037443644 173211824 /nfs/dbraw/zinc/21/18/24/173211824.db2.gz PWWMPMHNESJOOU-GZMMTYOYSA-N 0 3 265.744 2.276 10 0 CEAEHN CC[C@@](NC(C)C)(C(N)=O)c1cccc(Cl)c1 ZINC000037446539 173213325 /nfs/dbraw/zinc/21/33/25/173213325.db2.gz YCNJJIMUSKZAPQ-ZDUSSCGKSA-N 0 3 254.761 2.429 10 0 CEAEHN Cc1nc([C@H](C)N[C@H]2CN3CCC2CC3)cs1 ZINC000037507687 173242182 /nfs/dbraw/zinc/24/21/82/173242182.db2.gz IKHHLQXXPFMAEZ-CABZTGNLSA-N 0 3 251.399 2.196 10 0 CEAEHN Cc1csc2nc(C)c(CNC[C@H](C)N(C)C)n12 ZINC000038087564 174099426 /nfs/dbraw/zinc/09/94/26/174099426.db2.gz YSBZTBUROJJNDO-VIFPVBQESA-N 0 3 266.414 2.052 10 0 CEAEHN CSCC[C@H](N)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000040467928 174276493 /nfs/dbraw/zinc/27/64/93/174276493.db2.gz XFFOIZBJGVPIBJ-RYUDHWBXSA-N 0 3 284.450 2.492 10 0 CEAEHN COc1ccc([C@@H](C)NC[C@@H](O)COC(C)C)cc1OC ZINC000040491057 174292329 /nfs/dbraw/zinc/29/23/29/174292329.db2.gz VSOOHOQFUFXNGM-TZMCWYRMSA-N 0 3 297.395 2.140 10 0 CEAEHN CC(C)(C)CN[C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000040493130 174292745 /nfs/dbraw/zinc/29/27/45/174292745.db2.gz BNCYHDXAAQMWQA-GFCCVEGCSA-N 0 3 266.385 2.082 10 0 CEAEHN O=C([C@H]1CCCCN1)N(Cc1ccsc1)C1CC1 ZINC000040492064 174292921 /nfs/dbraw/zinc/29/29/21/174292921.db2.gz JOCKGXLMCMSYON-CYBMUJFWSA-N 0 3 264.394 2.381 10 0 CEAEHN CCCNC(=O)[C@H](C)N[C@@H](C)COc1ccc(C)cc1 ZINC000040499811 174296446 /nfs/dbraw/zinc/29/64/46/174296446.db2.gz MZZIWIFEAUVALO-KBPBESRZSA-N 0 3 278.396 2.267 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)[C@@H]2CCSC2)n1 ZINC000040509425 174303307 /nfs/dbraw/zinc/30/33/07/174303307.db2.gz DDVBLPKUNTVBEQ-LLVKDONJSA-N 0 3 251.399 2.099 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000040632877 174359056 /nfs/dbraw/zinc/35/90/56/174359056.db2.gz DXJUXCSBFUSUCR-RISCZKNCSA-N 0 3 276.380 2.300 10 0 CEAEHN CN1CCC[C@H](NCc2cc3c(c(Cl)c2)OCO3)C1 ZINC000040672649 174370118 /nfs/dbraw/zinc/37/01/18/174370118.db2.gz DATSPXRDCSSMEY-NSHDSACASA-N 0 3 282.771 2.253 10 0 CEAEHN CCOC1CCN(Cc2cc(N)cc3c2OCOC3)CC1 ZINC000040678320 174374362 /nfs/dbraw/zinc/37/43/62/174374362.db2.gz JYSSZUSWOFLLFL-UHFFFAOYSA-N 0 3 292.379 2.136 10 0 CEAEHN CCOC1CCN([C@H](CN)c2cccc(F)c2)CC1 ZINC000040689120 174375957 /nfs/dbraw/zinc/37/59/57/174375957.db2.gz NSALXTMKUJBRBH-OAHLLOKOSA-N 0 3 266.360 2.326 10 0 CEAEHN CC(C)[C@@H](C(=O)[O-])[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694147 174378007 /nfs/dbraw/zinc/37/80/07/174378007.db2.gz WYYSJZRYABVVIR-AWEZNQCLSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)[C@@H](C(=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000040694147 174378008 /nfs/dbraw/zinc/37/80/08/174378008.db2.gz WYYSJZRYABVVIR-AWEZNQCLSA-N 0 3 268.401 2.046 10 0 CEAEHN Cc1nn(C[C@@H](N)c2ccc3c(c2)OCO3)c(C)c1C ZINC000040729701 174388178 /nfs/dbraw/zinc/38/81/78/174388178.db2.gz SVJCBFIBPYOAKG-CYBMUJFWSA-N 0 3 273.336 2.237 10 0 CEAEHN CCc1c(C)nn(CC(=O)Nc2cccc(CN)c2)c1C ZINC000040731800 174388614 /nfs/dbraw/zinc/38/86/14/174388614.db2.gz QANRBRKUIXWNND-UHFFFAOYSA-N 0 3 286.379 2.160 10 0 CEAEHN CN(C(=O)c1coc2ccccc21)[C@H](CN)C(F)(F)F ZINC000662982948 414818075 /nfs/dbraw/zinc/81/80/75/414818075.db2.gz KAFWBSDMOBPTLM-LLVKDONJSA-N 0 3 286.253 2.394 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@@H](CN)C(F)(F)F)cc(C)c1F ZINC000662985676 414819613 /nfs/dbraw/zinc/81/96/13/414819613.db2.gz XXYMXYIXEMENGW-JTQLQIEISA-N 0 3 292.276 2.404 10 0 CEAEHN CC[C@@H]1C[C@H](N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CO1 ZINC000657298640 414842514 /nfs/dbraw/zinc/84/25/14/414842514.db2.gz WJTGKHFRIPUOIP-FPMFFAJLSA-N 0 3 297.420 2.308 10 0 CEAEHN CCN1CC[C@H](NCc2cc(COC)cs2)C1 ZINC000657496196 414975838 /nfs/dbraw/zinc/97/58/38/414975838.db2.gz NZFHFAKQFPWZGA-LBPRGKRZSA-N 0 3 254.399 2.078 10 0 CEAEHN NCc1cc(F)ccc1N(CCO)C1CCCCC1 ZINC000042512055 174764573 /nfs/dbraw/zinc/76/45/73/174764573.db2.gz HRTNLCRVTHRKNE-UHFFFAOYSA-N 0 3 266.360 2.416 10 0 CEAEHN CC(C)C[C@H](C)N(C)S(=O)(=O)c1cccc(CN)c1 ZINC000042589023 174810782 /nfs/dbraw/zinc/81/07/82/174810782.db2.gz BOWSTHVPOYIOLR-LBPRGKRZSA-N 0 3 284.425 2.200 10 0 CEAEHN N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300051 175000996 /nfs/dbraw/zinc/00/09/96/175000996.db2.gz BWXAKJMVYKPOHV-WRWORJQWSA-N 0 3 294.203 2.428 10 0 CEAEHN N[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299997 175001232 /nfs/dbraw/zinc/00/12/32/175001232.db2.gz PYOVNOPZZWJWQM-KOLCDFICSA-N 0 3 293.310 2.140 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043300812 175001766 /nfs/dbraw/zinc/00/17/66/175001766.db2.gz BAADVFPLMYDXKI-ZANVPECISA-N 0 3 289.347 2.050 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N(CCCOC)CCOC ZINC000043335998 175011955 /nfs/dbraw/zinc/01/19/55/175011955.db2.gz KTSAHNWWLKCUCD-UKRRQHHQSA-N 0 3 284.400 2.043 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043363677 175024041 /nfs/dbraw/zinc/02/40/41/175024041.db2.gz FSWILXGDAGYVNP-QVHKTLOISA-N 0 3 266.385 2.476 10 0 CEAEHN Cc1ccc([C@@H]([C@@H](C)N)N(C)C[C@@H]2CCCO2)o1 ZINC000043364760 175025771 /nfs/dbraw/zinc/02/57/71/175025771.db2.gz WMSJEPCJJMSSMT-MBNYWOFBSA-N 0 3 252.358 2.087 10 0 CEAEHN Cc1ccc(C(N)=S)c(N[C@H](C)CN2CCCCC2)n1 ZINC000043396887 175036640 /nfs/dbraw/zinc/03/66/40/175036640.db2.gz WKMIABAPXIGQAG-GFCCVEGCSA-N 0 3 292.452 2.311 10 0 CEAEHN CCCN(C)C[C@H](NC)c1ccc2c(c1)OCO2 ZINC000043885874 175117186 /nfs/dbraw/zinc/11/71/86/175117186.db2.gz ZHCCKLIGHCPBMF-LBPRGKRZSA-N 0 3 250.342 2.018 10 0 CEAEHN CCN[C@@H](CN1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000043891473 175117993 /nfs/dbraw/zinc/11/79/93/175117993.db2.gz OCEYZBKIUGOJQM-BBRMVZONSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@H]1N(C)Cc1cccnc1 ZINC000043893528 175118489 /nfs/dbraw/zinc/11/84/89/175118489.db2.gz YEOWMLDCEASUKL-NVXWUHKLSA-N 0 3 283.375 2.235 10 0 CEAEHN c1ccc2c(c1)Cc1sc(N3CCNCC3)nc1-2 ZINC000044494112 175181486 /nfs/dbraw/zinc/18/14/86/175181486.db2.gz OVWCFHVIXUQAAA-UHFFFAOYSA-N 0 3 257.362 2.124 10 0 CEAEHN CNC(=O)CCN[C@H]1CCSc2c(F)cccc21 ZINC000044990069 175286050 /nfs/dbraw/zinc/28/60/50/175286050.db2.gz NHCPPLIUSXYRTG-NSHDSACASA-N 0 3 268.357 2.088 10 0 CEAEHN CCN[C@](C)(CCOC)c1nc2c(s1)CCC2 ZINC000045044675 175295649 /nfs/dbraw/zinc/29/56/49/175295649.db2.gz MDWTVHPIHHJVMZ-CYBMUJFWSA-N 0 3 254.399 2.493 10 0 CEAEHN CN(CC(C)(C)C)c1nc2sccn2c1CN ZINC000045085490 175303689 /nfs/dbraw/zinc/30/36/89/175303689.db2.gz LBVCODJGZWNQQW-UHFFFAOYSA-N 0 3 252.387 2.337 10 0 CEAEHN Cn1ccnc1CCNCc1ccc2ccccc2n1 ZINC000045134590 175312536 /nfs/dbraw/zinc/31/25/36/175312536.db2.gz VDKFPZXBDIDBSN-UHFFFAOYSA-N 0 3 266.348 2.301 10 0 CEAEHN CC[C@H](C)NC(=O)CCN[C@H](C)c1c(C)nn(CC)c1C ZINC000045171876 175320806 /nfs/dbraw/zinc/32/08/06/175320806.db2.gz PPLSERNSKPXYJD-NWDGAFQWSA-N 0 3 294.443 2.475 10 0 CEAEHN CCCCN(C)C[C@](NC)(C(=O)OCC)c1ccccc1 ZINC000045221911 175330605 /nfs/dbraw/zinc/33/06/05/175330605.db2.gz TULYSKWBTXRIGX-QGZVFWFLSA-N 0 3 292.423 2.396 10 0 CEAEHN COC(=O)[C@@](CN1CCCC1)(NC(C)C)c1ccccc1 ZINC000045225720 175332704 /nfs/dbraw/zinc/33/27/04/175332704.db2.gz QFFIKRHNRNXYOQ-KRWDZBQOSA-N 0 3 290.407 2.149 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1CCCCCC1)C(=O)[O-] ZINC000045228840 175334126 /nfs/dbraw/zinc/33/41/26/175334126.db2.gz XYVSZBGPQOUYJB-AWEZNQCLSA-N 0 3 256.390 2.095 10 0 CEAEHN CCCN(CCC)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045230225 175334291 /nfs/dbraw/zinc/33/42/91/175334291.db2.gz AIXRTOWLROOTKQ-KRWDZBQOSA-N 0 3 292.423 2.396 10 0 CEAEHN CCCN[C@](C)(CN1CCCCCC1)C(=O)OCC ZINC000045228787 175334466 /nfs/dbraw/zinc/33/44/66/175334466.db2.gz PSLDQFNKKACPPT-OAHLLOKOSA-N 0 3 270.417 2.184 10 0 CEAEHN CCCCCN(C)C[C@@](C)(NC1CC1)C(=O)OCC ZINC000045268175 175340460 /nfs/dbraw/zinc/34/04/60/175340460.db2.gz HNFKOGDZOMNTFQ-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(CC(C)C)C1CC1)C(=O)[O-] ZINC000045277530 175347745 /nfs/dbraw/zinc/34/77/45/175347745.db2.gz WMWSUKKWZWZPJP-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@@](C)(CN(C)CC(C)(C)C)C(=O)OCC ZINC000045279341 175349411 /nfs/dbraw/zinc/34/94/11/175349411.db2.gz DORKIIASLMPHOM-HNNXBMFYSA-N 0 3 272.433 2.286 10 0 CEAEHN CCCN[C@](C)(CN(C)CCC(C)C)C(=O)OCC ZINC000045281236 175352072 /nfs/dbraw/zinc/35/20/72/175352072.db2.gz VQKUIBPEYNEQCY-OAHLLOKOSA-N 0 3 272.433 2.286 10 0 CEAEHN CC[NH2+][C@](C)(CCN(C)CC1CCCCC1)C(=O)[O-] ZINC000045281609 175352762 /nfs/dbraw/zinc/35/27/62/175352762.db2.gz ZYZBRRBGRBCJJX-OAHLLOKOSA-N 0 3 270.417 2.341 10 0 CEAEHN CCN[C@](C)(CC[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281609 175352763 /nfs/dbraw/zinc/35/27/63/175352763.db2.gz ZYZBRRBGRBCJJX-OAHLLOKOSA-N 0 3 270.417 2.341 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281609 175352764 /nfs/dbraw/zinc/35/27/64/175352764.db2.gz ZYZBRRBGRBCJJX-OAHLLOKOSA-N 0 3 270.417 2.341 10 0 CEAEHN COC(=O)[C@@](C)(CN(C)CC1CCCCC1)NC(C)C ZINC000045281583 175352877 /nfs/dbraw/zinc/35/28/77/175352877.db2.gz XZXDLYFGMKRJFX-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCN(CCC)C[C@H](NC(C)C)C(=O)OCC ZINC000045378462 175367874 /nfs/dbraw/zinc/36/78/74/175367874.db2.gz WUYXXRMIFBGFJB-ZDUSSCGKSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCN[C@H](CN1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379485 175368135 /nfs/dbraw/zinc/36/81/35/175368135.db2.gz XJFWUYAYRJHTPZ-MELADBBJSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCN[C@@H](CN(C)[C@@H](C)CCC)C(=O)OCC ZINC000045394561 175376133 /nfs/dbraw/zinc/37/61/33/175376133.db2.gz UBDBGBRTKFJGBB-STQMWFEESA-N 0 3 258.406 2.038 10 0 CEAEHN CCC(C)(C)[C@@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000659339959 415528301 /nfs/dbraw/zinc/52/83/01/415528301.db2.gz OSVGCOHMMQWPKT-TZMCWYRMSA-N 0 3 262.397 2.497 10 0 CEAEHN CC(C)NCc1cc(CN2C[C@@H](C)S[C@@H](C)C2)on1 ZINC000070386516 175904638 /nfs/dbraw/zinc/90/46/38/175904638.db2.gz WCMWEUFRFFHHIY-TXEJJXNPSA-N 0 3 283.441 2.498 10 0 CEAEHN CN1C(=O)CC[C@H](N)[C@H]1c1ccc(Br)s1 ZINC000070651126 175999937 /nfs/dbraw/zinc/99/99/37/175999937.db2.gz DIWXWUIIMCZYLR-WKEGUHRASA-N 0 3 289.198 2.131 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cccc(F)c1F ZINC000070987546 176018592 /nfs/dbraw/zinc/01/85/92/176018592.db2.gz BQYQVDHAGYKEEA-RISCZKNCSA-N 0 3 266.291 2.118 10 0 CEAEHN Cc1ccccc1[C@@H](C)N1CC[C@@H](NC2CC2)C1=O ZINC000071036950 176025854 /nfs/dbraw/zinc/02/58/54/176025854.db2.gz ZNRASNPQXYLETO-IUODEOHRSA-N 0 3 258.365 2.409 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1cccc2ncccc21 ZINC000071037555 176026740 /nfs/dbraw/zinc/02/67/40/176026740.db2.gz DKFWBRVCJPOHAS-AWEZNQCLSA-N 0 3 267.332 2.092 10 0 CEAEHN CCN[C@H]1CCCN(c2cnc3ccccc3c2)C1=O ZINC000071042721 176028548 /nfs/dbraw/zinc/02/85/48/176028548.db2.gz QUOPVXWMVZOQDU-HNNXBMFYSA-N 0 3 269.348 2.340 10 0 CEAEHN C[C@H](C1CCCCC1)N1CC[C@@H](NC2CC2)C1=O ZINC000071043103 176029429 /nfs/dbraw/zinc/02/94/29/176029429.db2.gz UCPVKZRFVKGTRQ-BXUZGUMPSA-N 0 3 250.386 2.308 10 0 CEAEHN C[C@@H](Cc1cccs1)N1CC[C@@H](NC2CC2)C1=O ZINC000071043803 176029797 /nfs/dbraw/zinc/02/97/97/176029797.db2.gz SEJBPTSSDCSBQC-GXFFZTMASA-N 0 3 264.394 2.032 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)c1ccc(F)cc1C=O ZINC000071189476 176064896 /nfs/dbraw/zinc/06/48/96/176064896.db2.gz AYTPIPPMQRRSDW-LLVKDONJSA-N 0 3 250.317 2.026 10 0 CEAEHN CN(Cc1ccc(F)cc1C(N)=S)[C@H]1CCSC1 ZINC000071265766 176099343 /nfs/dbraw/zinc/09/93/43/176099343.db2.gz VGGWTTXTPITMFQ-NSHDSACASA-N 0 3 284.425 2.397 10 0 CEAEHN CNCc1cc(C)ccc1O[C@H](C)C(=O)N1CCCC1 ZINC000071403659 176154752 /nfs/dbraw/zinc/15/47/52/176154752.db2.gz MCHHFQKXQDXBNT-CYBMUJFWSA-N 0 3 276.380 2.104 10 0 CEAEHN O=C(c1cc(Br)cs1)[C@H]1CCCN1 ZINC000071585912 176211959 /nfs/dbraw/zinc/21/19/59/176211959.db2.gz QAQSIYTWOGVAMS-SSDOTTSWSA-N 0 3 260.156 2.445 10 0 CEAEHN NCc1ccc(-c2ccc(Br)s2)nn1 ZINC000071601253 176228178 /nfs/dbraw/zinc/22/81/78/176228178.db2.gz DQGODCOKXSERGP-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN CNCC(=O)N[C@@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000076398993 177015824 /nfs/dbraw/zinc/01/58/24/177015824.db2.gz PTSYASITWLNKED-JTQLQIEISA-N 0 3 268.332 2.010 10 0 CEAEHN CCOc1ccc(NC(=O)CNC(C)C)cc1C ZINC000077432151 177268103 /nfs/dbraw/zinc/26/81/03/177268103.db2.gz LNGIICWCJWFNIU-UHFFFAOYSA-N 0 3 250.342 2.330 10 0 CEAEHN CCC[NH2+]Cc1cc(=O)[n-]c(CCc2ccccc2)n1 ZINC000079940065 177584978 /nfs/dbraw/zinc/58/49/78/177584978.db2.gz SLSQTFXCQFCYHB-UHFFFAOYSA-N 0 3 271.364 2.055 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)C1NC(=O)NC[C@@H]1CCCN1C ZINC000176006206 287376149 /nfs/dbraw/zinc/37/61/49/287376149.db2.gz NRBMQDWUEXTTBD-UPJWGTAASA-N 0 3 267.417 2.205 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCOC1CCCC1 ZINC000193727794 270289075 /nfs/dbraw/zinc/28/90/75/270289075.db2.gz QSGWZWWHDUIZMQ-CQSZACIVSA-N 0 3 299.459 2.221 10 0 CEAEHN CCN(CC(C)C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000194176498 270293315 /nfs/dbraw/zinc/29/33/15/270293315.db2.gz ZDWWSXXPHSHUIU-CYBMUJFWSA-N 0 3 255.406 2.158 10 0 CEAEHN O[C@@H]1CC[C@H]2CN(Cc3ccncc3Cl)C[C@H]2C1 ZINC000398704199 270360943 /nfs/dbraw/zinc/36/09/43/270360943.db2.gz AKJTVEXCKVMJMI-CYZMBNFOSA-N 0 3 266.772 2.328 10 0 CEAEHN CCOc1ccc(OCCN2C[C@H](O)CC[C@H]2C)cc1 ZINC000399386876 270369293 /nfs/dbraw/zinc/36/92/93/270369293.db2.gz BPNKOVRCQUAGEX-ZIAGYGMSSA-N 0 3 279.380 2.309 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000118330096 273817176 /nfs/dbraw/zinc/81/71/76/273817176.db2.gz XZAYIHJESMLHPM-WCQYABFASA-N 0 3 276.405 2.038 10 0 CEAEHN C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000126375966 274308994 /nfs/dbraw/zinc/30/89/94/274308994.db2.gz WOMIHCURSSHQDP-BNOWGMLFSA-N 0 3 274.364 2.015 10 0 CEAEHN CC(C)C[C@H]1CCCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000262177030 275917699 /nfs/dbraw/zinc/91/76/99/275917699.db2.gz YWCCBKQRFRVFFR-HIFRSBDPSA-N 0 3 282.428 2.025 10 0 CEAEHN CSCC[C@@H](N)C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262581458 277511596 /nfs/dbraw/zinc/51/15/96/277511596.db2.gz QXMZIDSHLBWFKH-CQSZACIVSA-N 0 3 292.448 2.387 10 0 CEAEHN COc1ccc([C@H](NC[C@@H]2CN(C)CCO2)C2CC2)cc1 ZINC000106388162 277934140 /nfs/dbraw/zinc/93/41/40/277934140.db2.gz DSURFNSAWGJXEP-IAGOWNOFSA-N 0 3 290.407 2.067 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000193251195 278711946 /nfs/dbraw/zinc/71/19/46/278711946.db2.gz DNVUOHAAAQOGMU-LBPRGKRZSA-N 0 3 283.334 2.438 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1N[C@H]1CCc2cc(F)ccc21 ZINC000282129112 279028584 /nfs/dbraw/zinc/02/85/84/279028584.db2.gz BIBHQXMRJSAPDI-FZZIBODNSA-N 0 3 262.328 2.070 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)C2CCCC2)C1 ZINC000263503257 279059829 /nfs/dbraw/zinc/05/98/29/279059829.db2.gz LGXHPWBUGUFQNA-LMWSTFAQSA-N 0 3 268.401 2.092 10 0 CEAEHN C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1c(F)cccc1F ZINC000134602342 280026920 /nfs/dbraw/zinc/02/69/20/280026920.db2.gz DMRSGSIJHFUKCU-WDEREUQCSA-N 0 3 282.334 2.231 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCCF ZINC000151135386 280089363 /nfs/dbraw/zinc/08/93/63/280089363.db2.gz NFMQZFJJKVENKF-NSHDSACASA-N 0 3 260.353 2.335 10 0 CEAEHN CCc1cccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000189157965 280144674 /nfs/dbraw/zinc/14/46/74/280144674.db2.gz NGXZBYYIYUJZTE-HUUCEWRRSA-N 0 3 276.424 2.136 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H]1CCCO[C@H]1C(C)C)N(C)C ZINC000245769382 280260399 /nfs/dbraw/zinc/26/03/99/280260399.db2.gz KDUHTDLIOARKRV-ZNMIVQPWSA-N 0 3 284.444 2.284 10 0 CEAEHN CCNc1ncc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000245906040 280265415 /nfs/dbraw/zinc/26/54/15/280265415.db2.gz AZDRCYOAOXMLKJ-GHMZBOCLSA-N 0 3 296.440 2.033 10 0 CEAEHN CC1(C)CCCC[C@H]1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000246553448 280300716 /nfs/dbraw/zinc/30/07/16/280300716.db2.gz MTTQPPIBHBDFKB-UONOGXRCSA-N 0 3 279.428 2.445 10 0 CEAEHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CCc2ncnn2C1 ZINC000180598617 281078776 /nfs/dbraw/zinc/07/87/76/281078776.db2.gz RXVVYRLWKWJXPT-HIFRSBDPSA-N 0 3 298.390 2.405 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCOCC(F)(F)F ZINC000252661357 288298512 /nfs/dbraw/zinc/29/85/12/288298512.db2.gz IUDHUKUHCBPHOW-NEPJUHHUSA-N 0 3 280.334 2.124 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@H]1CN(C)CCO1)CCC2 ZINC000180492725 281120222 /nfs/dbraw/zinc/12/02/22/281120222.db2.gz FDPURTWQQLTFMM-DOTOQJQBSA-N 0 3 274.408 2.293 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@]1(C)CCCS1 ZINC000153372049 289111729 /nfs/dbraw/zinc/11/17/29/289111729.db2.gz PSPTZDXYOQNJIA-HIFRSBDPSA-N 0 3 299.484 2.398 10 0 CEAEHN CCC[C@@H](C(=O)NCC1(CCOC)CCC1)N(C)C ZINC000154843356 289156327 /nfs/dbraw/zinc/15/63/27/289156327.db2.gz IAEFWCQAOUMBPF-ZDUSSCGKSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccsc2)C1 ZINC000157214627 289209538 /nfs/dbraw/zinc/20/95/38/289209538.db2.gz WQFZULBFMNEYCU-JTQLQIEISA-N 0 3 253.371 2.354 10 0 CEAEHN Cc1nc2ccccc2nc1N1C[C@H](C)NC[C@H]1C ZINC000251288089 293485404 /nfs/dbraw/zinc/48/54/04/293485404.db2.gz YKEPOXYLMRNLLR-WDEREUQCSA-N 0 3 256.353 2.125 10 0 CEAEHN C[C@H](CCN[C@@H]1CCn2ccnc21)NC(=O)OC(C)(C)C ZINC000294074191 298440982 /nfs/dbraw/zinc/44/09/82/298440982.db2.gz LBEKIVVQVWVEFJ-VXGBXAGGSA-N 0 3 294.399 2.221 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC000180335265 312766694 /nfs/dbraw/zinc/76/66/94/312766694.db2.gz FTZMNAFQJSIGBN-OAHLLOKOSA-N 0 3 285.391 2.263 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2c[nH]c3cc(F)ccc23)C1 ZINC000192935978 321798829 /nfs/dbraw/zinc/79/88/29/321798829.db2.gz XZQXQINVZHGOOA-LLVKDONJSA-N 0 3 275.327 2.083 10 0 CEAEHN Cc1cc(CN[C@@H](C)CN(C)Cc2ccccc2)nn1C ZINC000414439745 533716669 /nfs/dbraw/zinc/71/66/69/533716669.db2.gz WNMGHZUOQIRBJG-AWEZNQCLSA-N 0 3 286.423 2.339 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NCC(=O)NC1CCCCC1 ZINC000049556040 519775691 /nfs/dbraw/zinc/77/56/91/519775691.db2.gz GIZGWLYXPYGGGA-HNNXBMFYSA-N 0 3 283.460 2.001 10 0 CEAEHN CCCNCc1cccc(OC)c1O[C@H]1CCOC1 ZINC000070071650 519953451 /nfs/dbraw/zinc/95/34/51/519953451.db2.gz MUONUGNGZAAVFT-ZDUSSCGKSA-N 0 3 265.353 2.363 10 0 CEAEHN CCCN[C@@H](C)[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000061702908 519986632 /nfs/dbraw/zinc/98/66/32/519986632.db2.gz BHIXTRWZTBIFJG-NWDGAFQWSA-N 0 3 255.383 2.237 10 0 CEAEHN CCNCc1cnc(Cc2ccc(OC)cc2)nc1 ZINC000054855756 520015281 /nfs/dbraw/zinc/01/52/81/520015281.db2.gz SUZPFBBCEQMQAK-UHFFFAOYSA-N 0 3 257.337 2.186 10 0 CEAEHN CCN[C@H](CCOc1ccccc1C(C)C)C(N)=O ZINC000062550855 520192290 /nfs/dbraw/zinc/19/22/90/520192290.db2.gz AVZFVQPDIKWKHH-CYBMUJFWSA-N 0 3 264.369 2.042 10 0 CEAEHN CCC[C@H](N)[C@H](CC)S(=O)(=O)c1ccccc1 ZINC000061702548 521121026 /nfs/dbraw/zinc/12/10/26/521121026.db2.gz WBHOZLYUJJXKGL-STQMWFEESA-N 0 3 255.383 2.366 10 0 CEAEHN CCC(C)(C)N(C)Cc1cccnc1C(N)=S ZINC000069433788 521304269 /nfs/dbraw/zinc/30/42/69/521304269.db2.gz GPAHUMXPASVCHU-UHFFFAOYSA-N 0 3 251.399 2.336 10 0 CEAEHN CCN1CCC(CN2[C@@H]3CCC[C@H]2CC(=O)C3)CC1 ZINC000054601229 521550116 /nfs/dbraw/zinc/55/01/16/521550116.db2.gz MYOBDSRVXJLKRX-GASCZTMLSA-N 0 3 264.413 2.304 10 0 CEAEHN CN[C@H](C)c1cnn([C@@H]2CCCCC[C@@H]2O)c1C ZINC000054600539 522454487 /nfs/dbraw/zinc/45/44/87/522454487.db2.gz NHFFRVMLEPTGKN-HONMWMINSA-N 0 3 251.374 2.338 10 0 CEAEHN CN[C@H](CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000061702748 522470044 /nfs/dbraw/zinc/47/00/44/522470044.db2.gz BFOZDVAJOVVGHA-GFCCVEGCSA-N 0 3 255.383 2.094 10 0 CEAEHN CCCN1C(=O)C[C@H](N)[C@H]1c1ccc2ncccc2c1 ZINC000070293377 517583890 /nfs/dbraw/zinc/58/38/90/517583890.db2.gz NNLKNHSNVTUHCB-XJKSGUPXSA-N 0 3 269.348 2.246 10 0 CEAEHN CC(C)(C)NC(=O)[C@@H](CN)Cc1cccc2cccnc21 ZINC000069500512 518744896 /nfs/dbraw/zinc/74/48/96/518744896.db2.gz LJJRXZPVACVSCK-CQSZACIVSA-N 0 3 285.391 2.267 10 0 CEAEHN CC(C)(C)NCc1cc(F)ccc1N1CCS(=O)CC1 ZINC000062737402 518764568 /nfs/dbraw/zinc/76/45/68/518764568.db2.gz XBGAKHOBFZDURQ-UHFFFAOYSA-N 0 3 298.427 2.283 10 0 CEAEHN CC(C)C[C@@H]1CSC(N[C@@H]2CCN3CCC[C@H]23)=N1 ZINC000049569650 519276915 /nfs/dbraw/zinc/27/69/15/519276915.db2.gz VNEBCDSTYRMKMR-JHJVBQTASA-N 0 3 267.442 2.330 10 0 CEAEHN CC(C)NC(=O)CCOc1cc(F)ccc1[C@H](C)N ZINC000062745473 519704262 /nfs/dbraw/zinc/70/42/62/519704262.db2.gz YOSLSNICEDSQNX-JTQLQIEISA-N 0 3 268.332 2.139 10 0 CEAEHN CC(C)CN1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000055080835 519728099 /nfs/dbraw/zinc/72/80/99/519728099.db2.gz NLOYSWIVXNNSEF-BBWFWOEESA-N 0 3 282.472 2.446 10 0 CEAEHN CC(C)[C@@H](C)N(C)Cc1ccnc(C(N)=S)c1 ZINC000068752010 519791326 /nfs/dbraw/zinc/79/13/26/519791326.db2.gz RLPZHPDVRZOFLI-SNVBAGLBSA-N 0 3 251.399 2.192 10 0 CEAEHN CC(C)[C@@H]1CC[C@H](O)[C@H](N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054558152 519803601 /nfs/dbraw/zinc/80/36/01/519803601.db2.gz ZEBHRKSFCBCQGZ-KHMAMNHCSA-N 0 3 255.402 2.281 10 0 CEAEHN CCCN1CCN(Cc2nc(NC)ccc2Cl)CC1 ZINC000061630614 519858968 /nfs/dbraw/zinc/85/89/68/519858968.db2.gz YCPTYSJJTUHZIL-UHFFFAOYSA-N 0 3 282.819 2.304 10 0 CEAEHN CCCC1CC[NH+](CC[C@@H](NC2CC2)C(=O)[O-])CC1 ZINC000062531128 519901658 /nfs/dbraw/zinc/90/16/58/519901658.db2.gz IBHGISXOWYGWMB-CQSZACIVSA-N 0 3 268.401 2.094 10 0 CEAEHN CCCC1CCN(C[C@@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069231653 519902028 /nfs/dbraw/zinc/90/20/28/519902028.db2.gz YWGOBGUDAGELHS-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCC1CCN(C[C@](N)(C(=O)OCC)C2CC2)CC1 ZINC000069231662 519902090 /nfs/dbraw/zinc/90/20/90/519902090.db2.gz NSBDBUUUGVWTQZ-MRXNPFEDSA-N 0 3 282.428 2.169 10 0 CEAEHN CCNC(C)(C)C(=O)N(C)c1cccc(OC)c1 ZINC000061299310 519903449 /nfs/dbraw/zinc/90/34/49/519903449.db2.gz PPWUCUMOEWJMTK-UHFFFAOYSA-N 0 3 250.342 2.046 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(F)cc1OC ZINC000061299096 519906792 /nfs/dbraw/zinc/90/67/92/519906792.db2.gz NHZCBTGBTHGKIP-UHFFFAOYSA-N 0 3 254.305 2.161 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000061290184 519907174 /nfs/dbraw/zinc/90/71/74/519907174.db2.gz PRQYQDNCQPCBTD-UHFFFAOYSA-N 0 3 272.352 2.199 10 0 CEAEHN CCNCc1c(C)nc(Cc2cccnc2)nc1C ZINC000054854107 519983366 /nfs/dbraw/zinc/98/33/66/519983366.db2.gz JYNFEVKILMLSQK-UHFFFAOYSA-N 0 3 256.353 2.189 10 0 CEAEHN CCNCc1cc2ccccc2nc1N1CCC[C@@H](O)C1 ZINC000048965547 519994050 /nfs/dbraw/zinc/99/40/50/519994050.db2.gz OWHMXCMXXDYPGG-OAHLLOKOSA-N 0 3 285.391 2.305 10 0 CEAEHN c1nc2ccccc2n1COCCNCc1ccccc1 ZINC000111360320 534460924 /nfs/dbraw/zinc/46/09/24/534460924.db2.gz WGDQRVUQFPHVSK-UHFFFAOYSA-O 0 3 282.367 2.219 10 0 CEAEHN CCNCc1nc(C(C)C)ncc1N1CCCO[C@@H](C)C1 ZINC000061935239 520020280 /nfs/dbraw/zinc/02/02/80/520020280.db2.gz VSTVKOCPMBEGLM-ZDUSSCGKSA-N 0 3 292.427 2.325 10 0 CEAEHN CCCN[C@@H]1COc2cc(O[C@@H](C)C(=O)OCC)ccc21 ZINC000062805033 520026155 /nfs/dbraw/zinc/02/61/55/520026155.db2.gz QAOMEGRHACXXFD-SMDDNHRTSA-N 0 3 293.363 2.450 10 0 CEAEHN CCCN[C@@H]1c2ccc(OC)cc2CC[C@@H]1S(C)(=O)=O ZINC000054930620 520028608 /nfs/dbraw/zinc/02/86/08/520028608.db2.gz YJJFKQZWRJAIOF-LSDHHAIUSA-N 0 3 297.420 2.095 10 0 CEAEHN CCCN[C@@](CN(CC)C(C)C)(C(=O)OCC)C1CC1 ZINC000069097136 520050586 /nfs/dbraw/zinc/05/05/86/520050586.db2.gz UGVXVGWGAVCOIF-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OC[C@@H](O)COC ZINC000069054006 520074649 /nfs/dbraw/zinc/07/46/49/520074649.db2.gz YLTVIGFKSGGMED-STQMWFEESA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@@H](C)c1cc(Cl)ccc1OC[C@H](O)COC ZINC000069053762 520074991 /nfs/dbraw/zinc/07/49/91/520074991.db2.gz HVTDVFDRWFXNDI-CMPLNLGQSA-N 0 3 287.787 2.397 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1ccccc1OCC ZINC000052885542 520099640 /nfs/dbraw/zinc/09/96/40/520099640.db2.gz UMZRYJALWAKJCB-AWEZNQCLSA-N 0 3 291.395 2.103 10 0 CEAEHN CCN[C@@H](c1ccccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000052201602 520114303 /nfs/dbraw/zinc/11/43/03/520114303.db2.gz OKESJWSZHUVVLF-DZGCQCFKSA-N 0 3 281.421 2.334 10 0 CEAEHN CCN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000061626942 520118735 /nfs/dbraw/zinc/11/87/35/520118735.db2.gz MSRQRHIORVGIPD-GFCCVEGCSA-N 0 3 286.297 2.416 10 0 CEAEHN CCN[C@@H]1COc2cc(O[C@H](C)C(=O)NC(C)C)ccc21 ZINC000062804847 520124022 /nfs/dbraw/zinc/12/40/22/520124022.db2.gz IVCXPPOILIHSJE-BXUZGUMPSA-N 0 3 292.379 2.022 10 0 CEAEHN CC(C)n1nccc1NC(=O)[C@@H](CN)c1ccccc1 ZINC000061610706 520124469 /nfs/dbraw/zinc/12/44/69/520124469.db2.gz OPDRULUXRYTQTP-ZDUSSCGKSA-N 0 3 272.352 2.145 10 0 CEAEHN CCCNc1ccc(CN(CC)CCOC)cn1 ZINC000050816669 520154581 /nfs/dbraw/zinc/15/45/81/520154581.db2.gz CCYCWAQXEZKKGD-UHFFFAOYSA-N 0 3 251.374 2.372 10 0 CEAEHN CCN[C@H](Cc1c(F)cccc1Cl)CS(C)(=O)=O ZINC000052789120 520202990 /nfs/dbraw/zinc/20/29/90/520202990.db2.gz VZNRLDPWMQCVQI-SECBINFHSA-N 0 3 293.791 2.044 10 0 CEAEHN CCN[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000061626904 520216487 /nfs/dbraw/zinc/21/64/87/520216487.db2.gz IUDOITHOUASHSK-LBPRGKRZSA-N 0 3 286.297 2.416 10 0 CEAEHN CCN[C@](CN1CCC(CC)CC1)(C(=O)OC)C1CC1 ZINC000069183829 520248089 /nfs/dbraw/zinc/24/80/89/520248089.db2.gz FSIBORXQXIZJAA-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCO[C@H]1CCCN(Cc2ccoc2CN)C1 ZINC000052371578 520285780 /nfs/dbraw/zinc/28/57/80/520285780.db2.gz AQPPEUATHFDVKL-ZDUSSCGKSA-N 0 3 252.358 2.129 10 0 CEAEHN CCNc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000050777547 520287896 /nfs/dbraw/zinc/28/78/96/520287896.db2.gz QSSCEXSACKBRKW-ZDUSSCGKSA-N 0 3 275.396 2.190 10 0 CEAEHN CCN(C)c1nc(C2CC2)c(CNCCOC)s1 ZINC000069146820 520289384 /nfs/dbraw/zinc/28/93/84/520289384.db2.gz FXPHVMVQYHNXAY-UHFFFAOYSA-N 0 3 269.414 2.213 10 0 CEAEHN CCCCN(C)c1nc(C)c(CNCCOC)s1 ZINC000054996036 520435669 /nfs/dbraw/zinc/43/56/69/520435669.db2.gz MGONFFCHYAXFEC-UHFFFAOYSA-N 0 3 271.430 2.424 10 0 CEAEHN CCCOc1cccc([C@H](CN)N(C)CCOC)c1 ZINC000052921108 520467179 /nfs/dbraw/zinc/46/71/79/520467179.db2.gz NBLOTMNJSZVDMC-HNNXBMFYSA-N 0 3 266.385 2.053 10 0 CEAEHN CCCCN(CC[C@@H]([NH2+]CCC)C(=O)[O-])C1CC1 ZINC000062459241 520538399 /nfs/dbraw/zinc/53/83/99/520538399.db2.gz ZDWRAIHXDMKCIY-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCC[C@@H](CC)NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051093851 520687013 /nfs/dbraw/zinc/68/70/13/520687013.db2.gz YMFQUBULUXURME-SECBINFHSA-N 0 3 270.764 2.329 10 0 CEAEHN CCN(CC)C[C@@H](C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601189 520714544 /nfs/dbraw/zinc/71/45/44/520714544.db2.gz RKCODIRENLERGZ-MCIONIFRSA-N 0 3 252.402 2.303 10 0 CEAEHN CCOC(=O)[C@@H](CCN1CCCC(C)(C)C1)NC(C)C ZINC000069517046 521058101 /nfs/dbraw/zinc/05/81/01/521058101.db2.gz AHYAGDRJJGQCSQ-CQSZACIVSA-N 0 3 284.444 2.428 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000183094321 521114315 /nfs/dbraw/zinc/11/43/15/521114315.db2.gz ZXGQRQCDSHSCLN-LBPRGKRZSA-N 0 3 279.384 2.003 10 0 CEAEHN CCOC(=O)[C@@](CN(CC)C(C)C)(NC(C)C)C1CC1 ZINC000069097221 521166835 /nfs/dbraw/zinc/16/68/35/521166835.db2.gz OFYUADLIZQFBPC-INIZCTEOSA-N 0 3 284.444 2.427 10 0 CEAEHN CCOC(=O)[C@](N)(CN(CC)CC1CC1)c1ccccc1 ZINC000069239522 521346421 /nfs/dbraw/zinc/34/64/21/521346421.db2.gz FZGXOLTYDOKPTF-KRWDZBQOSA-N 0 3 290.407 2.136 10 0 CEAEHN CCCc1nc(N(C)[C@@H]2CCSC2)sc1CN ZINC000054996978 521528601 /nfs/dbraw/zinc/52/86/01/521528601.db2.gz AQSURAOHUNKWBI-SECBINFHSA-N 0 3 271.455 2.496 10 0 CEAEHN CCCc1nc(N2C[C@H](C)OC[C@@H]2C)sc1CN ZINC000054997256 521533846 /nfs/dbraw/zinc/53/38/46/521533846.db2.gz MOBWATCLOPUMFG-UWVGGRQHSA-N 0 3 269.414 2.168 10 0 CEAEHN CCC(CC)N(CCOC)C(=O)[C@H](CN)c1ccccc1 ZINC000061612064 521557367 /nfs/dbraw/zinc/55/73/67/521557367.db2.gz WLWLSXJJVCSWDM-MRXNPFEDSA-N 0 3 292.423 2.393 10 0 CEAEHN CCC(CC)NC(=O)[C@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555873 521592598 /nfs/dbraw/zinc/59/25/98/521592598.db2.gz NULYAWKTTYWYQS-ZFWWWQNUSA-N 0 3 285.476 2.246 10 0 CEAEHN CCN1CCC[C@H](Nc2ccccc2C(N)=S)C1 ZINC000049224600 521649374 /nfs/dbraw/zinc/64/93/74/521649374.db2.gz QPEIYDYABXCCNM-NSHDSACASA-N 0 3 263.410 2.217 10 0 CEAEHN CCN1CCN(c2nc3c(s2)[C@@H](N)CC(C)(C)C3)CC1 ZINC000054863982 521700623 /nfs/dbraw/zinc/70/06/23/521700623.db2.gz WZDMLSKHNYLEIE-NSHDSACASA-N 0 3 294.468 2.257 10 0 CEAEHN CN(C)C[C@@H](O)CNc1cc(C(F)(F)F)ccc1F ZINC000062656507 521829916 /nfs/dbraw/zinc/82/99/16/521829916.db2.gz WHVYQFASIOWENR-VIFPVBQESA-N 0 3 280.265 2.179 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000061316333 521943365 /nfs/dbraw/zinc/94/33/65/521943365.db2.gz DJSDKRXAUCVEMS-UHFFFAOYSA-N 0 3 258.325 2.013 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@H](O)c2ccc(OC)cc2)CC1 ZINC000055069697 522124329 /nfs/dbraw/zinc/12/43/29/522124329.db2.gz XXZAHGYWPOZDTA-PBHICJAKSA-N 0 3 292.423 2.145 10 0 CEAEHN CC[C@@H](C)N1CCN([C@@H]2CNc3ccccc3C2)CC1 ZINC000055067313 522128700 /nfs/dbraw/zinc/12/87/00/522128700.db2.gz XTQVVGRXUMDJHC-ZBFHGGJFSA-N 0 3 273.424 2.439 10 0 CEAEHN CC[C@@H](C)N1CCN(c2cc(N)cc(F)c2)CC1 ZINC000055066641 522133512 /nfs/dbraw/zinc/13/35/12/522133512.db2.gz YRKNFFHKCPTZBQ-LLVKDONJSA-N 0 3 251.349 2.328 10 0 CEAEHN CNCc1coc(Cn2cc(Br)cn2)c1 ZINC000052577518 522149494 /nfs/dbraw/zinc/14/94/94/522149494.db2.gz QSXWEHKQWSBTNE-UHFFFAOYSA-N 0 3 270.130 2.006 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1OCCC(=O)OC ZINC000069317766 522329731 /nfs/dbraw/zinc/32/97/31/522329731.db2.gz SHJOKUGBQMYBMR-NSHDSACASA-N 0 3 251.326 2.217 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)OC ZINC000062746144 522332532 /nfs/dbraw/zinc/33/25/32/522332532.db2.gz AWEPHKQBYOKRNA-DTWKUNHWSA-N 0 3 255.289 2.046 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1ccc(OC)cc1OC)C(F)(F)F ZINC000062784699 522341617 /nfs/dbraw/zinc/34/16/17/522341617.db2.gz AUCGZBZJNAZZQR-RYUDHWBXSA-N 0 3 293.285 2.191 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1ccccc1OC)C(F)(F)F ZINC000062784313 522346754 /nfs/dbraw/zinc/34/67/54/522346754.db2.gz CPNRFECNCIJTFX-WDEREUQCSA-N 0 3 263.259 2.182 10 0 CEAEHN CN[C@@H](CCSc1ccc2ccccc2c1)C(N)=O ZINC000062600579 522351668 /nfs/dbraw/zinc/35/16/68/522351668.db2.gz BYARXWGYQCUARH-AWEZNQCLSA-N 0 3 274.389 2.395 10 0 CEAEHN CN[C@@H](CN1CCC(COC)CC1)c1ccccc1OC ZINC000070080882 522353266 /nfs/dbraw/zinc/35/32/66/522353266.db2.gz KJQXSRCWAAOYIS-INIZCTEOSA-N 0 3 292.423 2.314 10 0 CEAEHN CN[C@@H](c1cc(OC)c(OC)cc1F)[C@@H]1CCOC1 ZINC000061561000 522366826 /nfs/dbraw/zinc/36/68/26/522366826.db2.gz XSVMVZHGLMOHEG-YMTOWFKASA-N 0 3 269.316 2.140 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CC(C)(C)O2)[C@H]1COCCO1 ZINC000055301487 522370582 /nfs/dbraw/zinc/37/05/82/522370582.db2.gz UWZXVLBTMLFEAY-CABCVRRESA-N 0 3 277.364 2.076 10 0 CEAEHN CCc1nc(N2C[C@@H](C)OC(C)(C)C2)sc1CN ZINC000055000443 522390209 /nfs/dbraw/zinc/39/02/09/522390209.db2.gz VIWOMIQOFANHSF-SECBINFHSA-N 0 3 269.414 2.168 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000054074037 522438904 /nfs/dbraw/zinc/43/89/04/522438904.db2.gz RYFWPVXHFDAGCX-DTWKUNHWSA-N 0 3 272.295 2.073 10 0 CEAEHN CN[C@H](C)c1cnn(Cc2cc(F)ccc2F)c1 ZINC000054721007 522453875 /nfs/dbraw/zinc/45/38/75/522453875.db2.gz ZICRFPJCHARUHT-SECBINFHSA-N 0 3 251.280 2.490 10 0 CEAEHN COc1cc(F)c([C@@H](N)[C@@H]2CCCO2)cc1OC ZINC000061560745 522585694 /nfs/dbraw/zinc/58/56/94/522585694.db2.gz UTAAMRAMEIENKA-GXFFZTMASA-N 0 3 255.289 2.022 10 0 CEAEHN CNc1nc2ccccc2cc1CN1CCCN(C)CC1 ZINC000050812366 522688866 /nfs/dbraw/zinc/68/88/66/522688866.db2.gz XJWRVDJMOCCISP-UHFFFAOYSA-N 0 3 284.407 2.414 10 0 CEAEHN COc1cc(OC)cc(O[C@H](CN)c2cccnc2)c1 ZINC000068793681 522873615 /nfs/dbraw/zinc/87/36/15/522873615.db2.gz LPPXQMZQYJZGIX-OAHLLOKOSA-N 0 3 274.320 2.178 10 0 CEAEHN COc1cc(OC)cc(Oc2cccc(CN)n2)c1 ZINC000070266572 522875208 /nfs/dbraw/zinc/87/52/08/522875208.db2.gz HWJHDOGRGVBMRU-UHFFFAOYSA-N 0 3 260.293 2.350 10 0 CEAEHN CC[C@H]1CCCN(Cc2cccnc2C(N)=S)C1 ZINC000061659753 523091220 /nfs/dbraw/zinc/09/12/20/523091220.db2.gz DPJFGDVNLGAQCB-NSHDSACASA-N 0 3 263.410 2.338 10 0 CEAEHN CC[C@H]1CCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1 ZINC000068602974 523117024 /nfs/dbraw/zinc/11/70/24/523117024.db2.gz XILOCCPMIRCXAW-BJJXKVORSA-N 0 3 290.407 2.347 10 0 CEAEHN CC[C@H]1CC[C@@H](N)[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000061702559 523185899 /nfs/dbraw/zinc/18/58/99/523185899.db2.gz DWLTZYFNNKCMAR-IACUBPJLSA-N 0 3 267.394 2.366 10 0 CEAEHN COC(=O)COc1ccccc1[C@H](C)N[C@H]1C[C@@H]1C ZINC000183552505 523235434 /nfs/dbraw/zinc/23/54/34/523235434.db2.gz OFFCAAQQNPBKMT-GVXVVHGQSA-N 0 3 263.337 2.297 10 0 CEAEHN COCCCNC(=O)[C@@H](C)N[C@@H]1CCCc2sccc21 ZINC000061362447 523347893 /nfs/dbraw/zinc/34/78/93/523347893.db2.gz LYCCRWMMNHDYIA-DGCLKSJQSA-N 0 3 296.436 2.256 10 0 CEAEHN CN(Cc1ccncc1)Cc1nc(NN)ccc1Cl ZINC000061631004 523460568 /nfs/dbraw/zinc/46/05/68/523460568.db2.gz MQRVBBSRCJMIEE-UHFFFAOYSA-N 0 3 277.759 2.048 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1ccc2ncccc2c1 ZINC000069502536 523502397 /nfs/dbraw/zinc/50/23/97/523502397.db2.gz LNMJSXIGHRONOA-WBVHZDCISA-N 0 3 285.391 2.345 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1Cc1cc(CN)oc1C ZINC000052571055 523517707 /nfs/dbraw/zinc/51/77/07/523517707.db2.gz RLTUJPFTXNLYBK-ZWNOBZJWSA-N 0 3 252.358 2.046 10 0 CEAEHN COc1ccc(C(=O)CN2CC[C@H](N3CCCC3)C2)cc1 ZINC000062981538 523587234 /nfs/dbraw/zinc/58/72/34/523587234.db2.gz JAHYISUABXTNKW-HNNXBMFYSA-N 0 3 288.391 2.048 10 0 CEAEHN CN(Cc1nccn1C)c1cc(Cl)ccc1CN ZINC000062787076 523594520 /nfs/dbraw/zinc/59/45/20/523594520.db2.gz PLYDAVONMXKGPI-UHFFFAOYSA-N 0 3 264.760 2.169 10 0 CEAEHN CN(c1nc2c(s1)[C@@H](N)CCC2)[C@@H]1CCSC1 ZINC000054895340 523663550 /nfs/dbraw/zinc/66/35/50/523663550.db2.gz RVLVONAGEKIOOD-BDAKNGLRSA-N 0 3 269.439 2.421 10 0 CEAEHN COCCN(CCOC)C[C@H]1C[C@H](C(C)C)CCC1=O ZINC000054559293 523715573 /nfs/dbraw/zinc/71/55/73/523715573.db2.gz ZAGRHOKCJWHGSV-HUUCEWRRSA-N 0 3 285.428 2.223 10 0 CEAEHN COCCN(Cc1cc(CN)oc1C)[C@@H](C)C1CC1 ZINC000052545387 523740407 /nfs/dbraw/zinc/74/04/07/523740407.db2.gz SALUEJCDFWYSED-NSHDSACASA-N 0 3 266.385 2.294 10 0 CEAEHN CC[C@H](C)CNS(=O)(=O)c1cccc([C@H](C)N)c1 ZINC000054489110 523886743 /nfs/dbraw/zinc/88/67/43/523886743.db2.gz WPYRILBYONXRRK-QWRGUYRKSA-N 0 3 270.398 2.031 10 0 CEAEHN CC[C@H](C)N(C)c1nc(C)c(CNCCOC)s1 ZINC000054996751 523924938 /nfs/dbraw/zinc/92/49/38/523924938.db2.gz MSYQTFASHYUGNE-JTQLQIEISA-N 0 3 271.430 2.422 10 0 CEAEHN COCCNC[C@@](C)(O)c1ccc(Cl)cc1Cl ZINC000055033668 523942747 /nfs/dbraw/zinc/94/27/47/523942747.db2.gz QKKOMYCUGFNFCR-GFCCVEGCSA-N 0 3 278.179 2.437 10 0 CEAEHN COCCNCc1cc(F)ccc1-n1cc(Cl)cn1 ZINC000062738685 523950680 /nfs/dbraw/zinc/95/06/80/523950680.db2.gz RTXJIMKXGSZRNV-UHFFFAOYSA-N 0 3 283.734 2.401 10 0 CEAEHN CC[C@H](C)N1CCN(c2ncc([C@H](C)NC)s2)CC1 ZINC000055076258 523962267 /nfs/dbraw/zinc/96/22/67/523962267.db2.gz DMJKGVVQEPUVJV-RYUDHWBXSA-N 0 3 282.457 2.344 10 0 CEAEHN CN1CC[C@H](Nc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788228 523988542 /nfs/dbraw/zinc/98/85/42/523988542.db2.gz ZFFDGZVYQLVZFE-VIFPVBQESA-N 0 3 269.801 2.090 10 0 CEAEHN COC(=O)[C@](CN(C)CCC(C)C)(NC1CC1)C1CC1 ZINC000069183696 524004104 /nfs/dbraw/zinc/00/41/04/524004104.db2.gz ZIHLGAXZMUDPBF-MRXNPFEDSA-N 0 3 282.428 2.038 10 0 CEAEHN COc1ccc(CN(C)Cc2cccnc2C(=N)N)cc1 ZINC000061658122 524007318 /nfs/dbraw/zinc/00/73/18/524007318.db2.gz OJQHOKFZYJYWIQ-UHFFFAOYSA-N 0 3 284.363 2.006 10 0 CEAEHN CCc1ccc([C@@H](N)CN2CCOCC2(C)C)cc1 ZINC000048927459 524033200 /nfs/dbraw/zinc/03/32/00/524033200.db2.gz YPKMOJIREXTYFA-HNNXBMFYSA-N 0 3 262.397 2.360 10 0 CEAEHN Cc1ccc(C)c(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000068655934 524183638 /nfs/dbraw/zinc/18/36/38/524183638.db2.gz KVOIQQWNAIOPAI-CXAGYDPISA-N 0 3 290.407 2.457 10 0 CEAEHN C[C@H](CN1CCCCC1)NC(=O)c1cc(N)ccc1F ZINC000049500462 524330251 /nfs/dbraw/zinc/33/02/51/524330251.db2.gz GHNXNIYHULLFSL-LLVKDONJSA-N 0 3 279.359 2.012 10 0 CEAEHN Cc1cccc(CN(C)Cc2ccnc(CN)c2)c1 ZINC000068749810 524376953 /nfs/dbraw/zinc/37/69/53/524376953.db2.gz QOUGFVZHSSOZIX-UHFFFAOYSA-N 0 3 255.365 2.481 10 0 CEAEHN Cc1ccc(CN)cc1N1C(=O)CC2(CCCC2)C1=O ZINC000050430518 524425059 /nfs/dbraw/zinc/42/50/59/524425059.db2.gz QYKLTKGFIGOZGN-UHFFFAOYSA-N 0 3 272.348 2.277 10 0 CEAEHN C[C@@H]1CCN(Cc2cc(CNC(C)(C)C)no2)C1 ZINC000052484454 524511202 /nfs/dbraw/zinc/51/12/02/524511202.db2.gz GXVDZDCOSICUIZ-LLVKDONJSA-N 0 3 251.374 2.405 10 0 CEAEHN C[C@@H](CN1CCCC1)NCC(=O)Nc1ccccc1Cl ZINC000049180347 524593469 /nfs/dbraw/zinc/59/34/69/524593469.db2.gz AXOZZYJIVGZBBF-LBPRGKRZSA-N 0 3 295.814 2.352 10 0 CEAEHN Cc1cc(CN)nc(-c2cc(F)c(F)c(F)c2)n1 ZINC000054830810 524671928 /nfs/dbraw/zinc/67/19/28/524671928.db2.gz CZHZVZSZZRXRAB-UHFFFAOYSA-N 0 3 253.227 2.328 10 0 CEAEHN Cc1cc(CNC(C)(C)C)nc(-c2cnccn2)n1 ZINC000054832071 524751181 /nfs/dbraw/zinc/75/11/81/524751181.db2.gz WQQLULBJSGQDLO-UHFFFAOYSA-N 0 3 257.341 2.130 10 0 CEAEHN C[C@H](N)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1 ZINC000157330767 524821566 /nfs/dbraw/zinc/82/15/66/524821566.db2.gz WGTWMNOIPVJBSJ-LXVYMNJGSA-N 0 3 291.395 2.003 10 0 CEAEHN C[C@H]([NH3+])[C@@]([O-])(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784725 524847209 /nfs/dbraw/zinc/84/72/09/524847209.db2.gz ZZZKXTFESXLJRO-SSDLBLMSSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@H](N)c1ccc(F)cc1OCC(=O)NC(C)(C)C ZINC000062745858 524864468 /nfs/dbraw/zinc/86/44/68/524864468.db2.gz KXEJVMVXXHQGTB-VIFPVBQESA-N 0 3 268.332 2.139 10 0 CEAEHN C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[C@@H](C)N1 ZINC000062035364 524891442 /nfs/dbraw/zinc/89/14/42/524891442.db2.gz VDMAULNXIFZLKZ-TYNCELHUSA-N 0 3 278.371 2.404 10 0 CEAEHN Cc1ccc(N)c(C(=O)N(CCN(C)C)CC(C)C)c1 ZINC000053002615 524902639 /nfs/dbraw/zinc/90/26/39/524902639.db2.gz KDOQXTZYFPKFFY-UHFFFAOYSA-N 0 3 277.412 2.237 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1c(F)cccc1Cl ZINC000069132565 525094874 /nfs/dbraw/zinc/09/48/74/525094874.db2.gz VRGQXMVWYASWGK-RKDXNWHRSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccccc1Br ZINC000069132597 525097870 /nfs/dbraw/zinc/09/78/70/525097870.db2.gz QIVHCDGOUQKJSN-NXEZZACHSA-N 0 3 297.196 2.272 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc(Cl)cn1C1CC1 ZINC000069133445 525102027 /nfs/dbraw/zinc/10/20/27/525102027.db2.gz AHFDNDUGMFJDPB-AOOOYVTPSA-N 0 3 281.787 2.299 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](CN)c1ccccc1)c1ccco1 ZINC000061611351 525261787 /nfs/dbraw/zinc/26/17/87/525261787.db2.gz GYOXJQQWMUJFMH-YPMHNXCESA-N 0 3 258.321 2.199 10 0 CEAEHN Cc1cc(NN)nc(Cc2ccc(F)cc2Cl)n1 ZINC000062608844 525285043 /nfs/dbraw/zinc/28/50/43/525285043.db2.gz DGRWZXMYPCVBCE-UHFFFAOYSA-N 0 3 266.707 2.454 10 0 CEAEHN C[C@@H]1C[C@@H]1NCC(=O)Nc1ccccc1Br ZINC000052287694 525329211 /nfs/dbraw/zinc/32/92/11/525329211.db2.gz JWERSYKIOWUYKJ-KCJUWKMLSA-N 0 3 283.169 2.386 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000049560319 525336954 /nfs/dbraw/zinc/33/69/54/525336954.db2.gz ZVDVRZJYRCRRLN-ZDUSSCGKSA-N 0 3 278.396 2.407 10 0 CEAEHN Cc1ccccc1[C@H](C)NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049631497 525416835 /nfs/dbraw/zinc/41/68/35/525416835.db2.gz QQVONINEBPFMJN-UONOGXRCSA-N 0 3 296.436 2.118 10 0 CEAEHN Cc1ccc(OC[C@@](NC2CC2)(C(N)=O)C2CC2)c(C)c1 ZINC000069196987 525433982 /nfs/dbraw/zinc/43/39/82/525433982.db2.gz LJENBJNRKLTVOK-KRWDZBQOSA-N 0 3 288.391 2.068 10 0 CEAEHN Cc1nc[nH]c1CN[C@@H](CN(C)C)c1ccccc1 ZINC000054794132 525462323 /nfs/dbraw/zinc/46/23/23/525462323.db2.gz LRVZJZGOQUETIJ-HNNXBMFYSA-N 0 3 258.369 2.111 10 0 CEAEHN C[C@@H](NC[C@H](C)N1CCOCC1)c1cccc(F)c1F ZINC000183216490 525489866 /nfs/dbraw/zinc/48/98/66/525489866.db2.gz GUPPDTOCSBNWAH-NWDGAFQWSA-N 0 3 284.350 2.336 10 0 CEAEHN C[C@@H]1C[C@H]1NCC(=O)Nc1ccc(Br)cc1 ZINC000052287722 525496876 /nfs/dbraw/zinc/49/68/76/525496876.db2.gz SVMXRQCHIPDCJI-LDYMZIIASA-N 0 3 283.169 2.386 10 0 CEAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000052270428 525589232 /nfs/dbraw/zinc/58/92/32/525589232.db2.gz VTTRMAHTHNRHDU-OUJBWJOFSA-N 0 3 253.367 2.149 10 0 CEAEHN CSC[C@@H](C)CN[C@H]1COc2cc(O)ccc21 ZINC000069435926 525623487 /nfs/dbraw/zinc/62/34/87/525623487.db2.gz LCWQAPNGERIVAL-CABZTGNLSA-N 0 3 253.367 2.414 10 0 CEAEHN C[C@@H](O)c1ccc(NC(=O)N[C@H](C)CN2CCCC2)cc1 ZINC000049189589 525869999 /nfs/dbraw/zinc/86/99/99/525869999.db2.gz QZUXSJLXEFDDPI-CHWSQXEVSA-N 0 3 291.395 2.346 10 0 CEAEHN C[C@@H](O)c1cccc(NC(=O)N2CCC[C@H]2CN(C)C)c1 ZINC000061655759 525870210 /nfs/dbraw/zinc/87/02/10/525870210.db2.gz BKBCOMNOUFHGGB-DOMZBBRYSA-N 0 3 291.395 2.298 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@H](O)COCCOC(C)C)cc1 ZINC000049556583 525924984 /nfs/dbraw/zinc/92/49/84/525924984.db2.gz SVUDPJMOMXFBQW-RDJZCZTQSA-N 0 3 295.423 2.448 10 0 CEAEHN COc1cccc(CN[C@@H](CN(C)C)C(C)C)c1OC ZINC000049196496 526031058 /nfs/dbraw/zinc/03/10/58/526031058.db2.gz YBVKGFYSKDLFKC-AWEZNQCLSA-N 0 3 280.412 2.380 10 0 CEAEHN CSc1ccc(NC(=O)c2ccnc(NN)c2)cc1 ZINC000051089898 526040605 /nfs/dbraw/zinc/04/06/05/526040605.db2.gz YHLONBKHDBCVFT-UHFFFAOYSA-N 0 3 274.349 2.341 10 0 CEAEHN CSc1ccc(NC(=O)c2cc[nH]c(=NN)c2)cc1 ZINC000051089898 526040611 /nfs/dbraw/zinc/04/06/11/526040611.db2.gz YHLONBKHDBCVFT-UHFFFAOYSA-N 0 3 274.349 2.341 10 0 CEAEHN C[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)[C@H]1C ZINC000061613313 526266219 /nfs/dbraw/zinc/26/62/19/526266219.db2.gz CHEJVIDTFMVNPU-YDHLFZDLSA-N 0 3 260.381 2.376 10 0 CEAEHN Cc1csc(CNC[C@@H]2Cc3ccccc3CN2)n1 ZINC000049539146 526357137 /nfs/dbraw/zinc/35/71/37/526357137.db2.gz YZICOAAAGZXYBM-AWEZNQCLSA-N 0 3 273.405 2.256 10 0 CEAEHN Cc1nnc(OCCc2cccs2)c(C(=N)N)c1C ZINC000049585690 526376720 /nfs/dbraw/zinc/37/67/20/526376720.db2.gz BHHYAKUMTKJGGH-UHFFFAOYSA-N 0 3 276.365 2.061 10 0 CEAEHN c1cc(Cn2nnc3ccccc32)c(CNC2CC2)o1 ZINC000052576613 526431747 /nfs/dbraw/zinc/43/17/47/526431747.db2.gz JNMIMYSNPCCHJR-UHFFFAOYSA-N 0 3 268.320 2.325 10 0 CEAEHN Cc1nc(-c2ncccn2)nc(C)c1CNC(C)(C)C ZINC000054854466 526625149 /nfs/dbraw/zinc/62/51/49/526625149.db2.gz AUZYJODSSKQSRQ-UHFFFAOYSA-N 0 3 271.368 2.439 10 0 CEAEHN Cc1oc(CNC2CC2)cc1CN1CCOC[C@H]1C ZINC000052476090 526774939 /nfs/dbraw/zinc/77/49/39/526774939.db2.gz PVQNJKYFHBKATO-LLVKDONJSA-N 0 3 264.369 2.061 10 0 CEAEHN Cc1nc(CC(F)(F)F)nc(C)c1CNC1CC1 ZINC000054854421 526802657 /nfs/dbraw/zinc/80/26/57/526802657.db2.gz FGUIBENNGDRLBM-UHFFFAOYSA-N 0 3 259.275 2.450 10 0 CEAEHN NC[C@@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1 ZINC000050910658 527207408 /nfs/dbraw/zinc/20/74/08/527207408.db2.gz ZUGWRDZBMSMZDT-HNNXBMFYSA-N 0 3 282.343 2.431 10 0 CEAEHN NC[C@](O)(c1ccc(Br)s1)C1CC1 ZINC000049850153 527242253 /nfs/dbraw/zinc/24/22/53/527242253.db2.gz KWZFSQGLJRKIQL-SECBINFHSA-N 0 3 262.172 2.067 10 0 CEAEHN NCc1cnc(N(CC(F)(F)F)C2CC2)s1 ZINC000054896553 527261907 /nfs/dbraw/zinc/26/19/07/527261907.db2.gz MGRSMPXALSSPQJ-UHFFFAOYSA-N 0 3 251.277 2.133 10 0 CEAEHN NCc1cnn(Cc2ccc(Br)cc2F)c1 ZINC000054716782 527264425 /nfs/dbraw/zinc/26/44/25/527264425.db2.gz ZGYZJFLGJKYXOL-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN NCc1sc(N2CCO[C@@H]3CCC[C@H]32)nc1C1CC1 ZINC000069180393 527268405 /nfs/dbraw/zinc/26/84/05/527268405.db2.gz KGFQCBYBSMAQDL-GHMZBOCLSA-N 0 3 279.409 2.237 10 0 CEAEHN NCc1sc(N2CCO[C@H]3CCC[C@H]32)nc1C1CC1 ZINC000069180396 527268961 /nfs/dbraw/zinc/26/89/61/527268961.db2.gz KGFQCBYBSMAQDL-MNOVXSKESA-N 0 3 279.409 2.237 10 0 CEAEHN O=S1(=O)CCC[C@H](N[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000069142723 527304540 /nfs/dbraw/zinc/30/45/40/527304540.db2.gz BRQGNYCKDPJIIX-LSDHHAIUSA-N 0 3 297.395 2.444 10 0 CEAEHN N[C@@H](c1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000054502404 527340356 /nfs/dbraw/zinc/34/03/56/527340356.db2.gz JZRMFONXVGOCRM-SECBINFHSA-N 0 3 256.231 2.158 10 0 CEAEHN N[C@@H]1Cc2ccccc2N(C(=O)c2cccn2C2CC2)C1 ZINC000070195890 527377039 /nfs/dbraw/zinc/37/70/39/527377039.db2.gz PNWFOMYFEGGBLM-CYBMUJFWSA-N 0 3 281.359 2.353 10 0 CEAEHN N[C@@H]1c2ccccc2OC[C@@H]1N1Cc2ccccc2C1 ZINC000050910912 527378146 /nfs/dbraw/zinc/37/81/46/527378146.db2.gz KOCPMKMAGYMXMF-DOTOQJQBSA-N 0 3 266.344 2.463 10 0 CEAEHN N[C@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702604 527394985 /nfs/dbraw/zinc/39/49/85/527394985.db2.gz CYPZWKGDOHMZSH-QWHCGFSZSA-N 0 3 253.367 2.120 10 0 CEAEHN N[C@H]1COc2cc(OC[C@H](O)c3ccccc3)ccc21 ZINC000062803658 527417898 /nfs/dbraw/zinc/41/78/98/527417898.db2.gz OOOHVHBBKAXODN-GJZGRUSLSA-N 0 3 271.316 2.191 10 0 CEAEHN OCCC[C@H]1CCCN1C[C@@H]1COc2ccccc2O1 ZINC000052762958 527546324 /nfs/dbraw/zinc/54/63/24/527546324.db2.gz RQPSJRBLJIJTLV-ZIAGYGMSSA-N 0 3 277.364 2.063 10 0 CEAEHN Nc1nc(SCCN2CCCC2)nc2sccc21 ZINC000054710927 527557799 /nfs/dbraw/zinc/55/77/99/527557799.db2.gz MCAAPNXCRSLJJE-UHFFFAOYSA-N 0 3 280.422 2.461 10 0 CEAEHN O[C@@H](CNC1CC1)c1cc(Br)ccc1F ZINC000055029076 527651745 /nfs/dbraw/zinc/65/17/45/527651745.db2.gz VAYMYPBOSLXXRZ-NSHDSACASA-N 0 3 274.133 2.374 10 0 CEAEHN Cc1nn(C)c(N(C)C[C@@H]2CCCO2)c1CNC(C)(C)C ZINC000062737034 527669882 /nfs/dbraw/zinc/66/98/82/527669882.db2.gz FKQPJULCBDSUNI-ZDUSSCGKSA-N 0 3 294.443 2.232 10 0 CEAEHN Cc1nn(C)c(N2C[C@@H](C)O[C@H](C)C2)c1CNC(C)(C)C ZINC000062734258 527676900 /nfs/dbraw/zinc/67/69/00/527676900.db2.gz NOCOEJBTQVLZNU-VXGBXAGGSA-N 0 3 294.443 2.230 10 0 CEAEHN CCOc1cc(NCc2ccc3c(c2)CNC3)ncn1 ZINC000097830095 528328806 /nfs/dbraw/zinc/32/88/06/528328806.db2.gz CYOHECJOXLYREJ-UHFFFAOYSA-N 0 3 270.336 2.091 10 0 CEAEHN CC(C)CNCc1cncc(N2C[C@H](C)OC(C)(C)C2)n1 ZINC000091420401 535170237 /nfs/dbraw/zinc/17/02/37/535170237.db2.gz WKWABTKQMZOJBB-ZDUSSCGKSA-N 0 3 292.427 2.226 10 0 CEAEHN CCCN[C@@H](C)c1c(F)cccc1N1CCN(C)C(=O)C1 ZINC000084204769 535185723 /nfs/dbraw/zinc/18/57/23/535185723.db2.gz KQTIKEFIJJDHFS-LBPRGKRZSA-N 0 3 293.386 2.165 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1sccc1Cl ZINC000309781304 538741681 /nfs/dbraw/zinc/74/16/81/538741681.db2.gz MYVQPZZHMFEAJX-IONNQARKSA-N 0 3 258.774 2.158 10 0 CEAEHN Oc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1F ZINC000891415870 623613100 /nfs/dbraw/zinc/61/31/00/623613100.db2.gz TYVMQAJZCCZRRN-CYBMUJFWSA-N 0 3 290.342 2.035 10 0 CEAEHN CC(C)CCCCCCNC(=O)[C@@H](N)C1CCOCC1 ZINC000261606440 628946064 /nfs/dbraw/zinc/94/60/64/628946064.db2.gz AQBPZPBEZNRKME-HNNXBMFYSA-N 0 3 284.444 2.463 10 0 CEAEHN CCCc1cncc(SC[C@@H]2CNCCO2)c1 ZINC000757208457 631836529 /nfs/dbraw/zinc/83/65/29/631836529.db2.gz GPDHYVRBCASBGF-LBPRGKRZSA-N 0 3 252.383 2.115 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCSC(F)(F)F)C1 ZINC000057830363 639464580 /nfs/dbraw/zinc/46/45/80/639464580.db2.gz FUYZNUPEQZSVNN-SECBINFHSA-N 0 3 299.362 2.023 10 0 CEAEHN CO[C@H](c1noc([C@H]2CNCc3ccccc32)n1)C1CC1 ZINC000227332185 639585009 /nfs/dbraw/zinc/58/50/09/639585009.db2.gz XCEBFTHWOFVYSN-KBPBESRZSA-N 0 3 285.347 2.402 10 0 CEAEHN C[C@H]1[C@@H](NCc2c[nH]cn2)CCCN1C(=O)OC(C)(C)C ZINC000230943668 639807343 /nfs/dbraw/zinc/80/73/43/639807343.db2.gz SKJJRYQRXJSVTF-AAEUAGOBSA-N 0 3 294.399 2.287 10 0 CEAEHN C[C@H](NC(=O)C1(N)CC1)c1ccc2c(c1)CCCC2 ZINC000088130064 639942895 /nfs/dbraw/zinc/94/28/95/639942895.db2.gz DWSCWASRWGPYQB-NSHDSACASA-N 0 3 258.365 2.234 10 0 CEAEHN COC[C@H](C)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000183190128 641718066 /nfs/dbraw/zinc/71/80/66/641718066.db2.gz JYVRPFZBCKLWEG-GOEBONIOSA-N 0 3 291.391 2.477 10 0 CEAEHN CN(C)C[C@@H](NC(=O)OCC1CC1)c1ccccc1 ZINC000184320206 641853255 /nfs/dbraw/zinc/85/32/55/641853255.db2.gz CBWHVYOBNVXLGZ-CQSZACIVSA-N 0 3 262.353 2.426 10 0 CEAEHN CCCCCCOCC(=O)N[C@@H]1CCCN(CC)C1 ZINC000107595893 641992881 /nfs/dbraw/zinc/99/28/81/641992881.db2.gz AQOKGLZSOZTFNH-CQSZACIVSA-N 0 3 270.417 2.184 10 0 CEAEHN Cc1cccc([C@@H](C)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000126982998 651041408 /nfs/dbraw/zinc/04/14/08/651041408.db2.gz HDQPIEPIRRDDQH-OCCSQVGLSA-N 0 3 267.394 2.223 10 0 CEAEHN Cc1nc(CN[C@@H]2CCCC[C@@H]2CO)sc1C ZINC000125016345 649777905 /nfs/dbraw/zinc/77/79/05/649777905.db2.gz FBPPLSRFGAXFRN-VXGBXAGGSA-N 0 3 254.399 2.401 10 0 CEAEHN CC(C)NCc1sc(CS(C)(=O)=O)nc1C1CC1 ZINC000082436192 178013904 /nfs/dbraw/zinc/01/39/04/178013904.db2.gz SMCHTOQVRGBMQF-UHFFFAOYSA-N 0 3 288.438 2.063 10 0 CEAEHN CC1(C)C[C@@H](NCCN2CCOCC2)c2ccccc2O1 ZINC000082504895 178069503 /nfs/dbraw/zinc/06/95/03/178069503.db2.gz RLBGYANNSCFXIK-OAHLLOKOSA-N 0 3 290.407 2.211 10 0 CEAEHN CN(C)CCN(C)c1ccc(Br)cc1N ZINC000082539780 178089070 /nfs/dbraw/zinc/08/90/70/178089070.db2.gz PRKYYUGBKHGOCJ-UHFFFAOYSA-N 0 3 272.190 2.029 10 0 CEAEHN COc1ccc([C@@H]2CNCO2)cc1Br ZINC000082567751 178098915 /nfs/dbraw/zinc/09/89/15/178098915.db2.gz FWHQPJDMILZENZ-JTQLQIEISA-N 0 3 258.115 2.076 10 0 CEAEHN N[C@H](Cn1cc(Br)cn1)c1ccccc1 ZINC000082582956 178120012 /nfs/dbraw/zinc/12/00/12/178120012.db2.gz FKTSWKZDDXZOAX-LLVKDONJSA-N 0 3 266.142 2.346 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC[C@@H](OCC)C1CCCC1 ZINC000121717845 365606578 /nfs/dbraw/zinc/60/65/78/365606578.db2.gz PGTLDFGTPNKIGX-ZIAGYGMSSA-N 0 3 270.417 2.215 10 0 CEAEHN CC(C)c1csc(CNC(=O)N2CC[C@H](N(C)C)C2)n1 ZINC000121789986 365615202 /nfs/dbraw/zinc/61/52/02/365615202.db2.gz AJBLAJCDNUEWTG-NSHDSACASA-N 0 3 296.440 2.112 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)Sc1cccs1)C(N)=O ZINC000082797655 178301172 /nfs/dbraw/zinc/30/11/72/178301172.db2.gz MCYJHPBGMLKWIS-KCJUWKMLSA-N 0 3 258.412 2.082 10 0 CEAEHN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)C1CCCC1 ZINC000125368242 365673648 /nfs/dbraw/zinc/67/36/48/365673648.db2.gz FFKIEHDDKCLMLO-YPMHNXCESA-N 0 3 278.400 2.428 10 0 CEAEHN CN(C)C[C@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC000152483429 282132078 /nfs/dbraw/zinc/13/20/78/282132078.db2.gz SSOLEYWXYKQLHG-KGLIPLIRSA-N 0 3 260.381 2.452 10 0 CEAEHN CN(C)CCSc1nnc(CNc2ccccc2)n1C ZINC000040177418 361992022 /nfs/dbraw/zinc/99/20/22/361992022.db2.gz OIXCICZWRJKDTD-UHFFFAOYSA-N 0 3 291.424 2.081 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC(C)(C)CO)c1C ZINC000122056906 539032866 /nfs/dbraw/zinc/03/28/66/539032866.db2.gz YPGSLOUJLPRGCD-SNVBAGLBSA-N 0 3 253.390 2.189 10 0 CEAEHN Cc1c(CNC[C@H]2CCC3(CCCC3)O2)cnn1C ZINC000226384084 539167537 /nfs/dbraw/zinc/16/75/37/539167537.db2.gz RQWVYKDQAACXMN-CQSZACIVSA-N 0 3 263.385 2.310 10 0 CEAEHN CCN1C[C@@]2(C[C@@H]2N)c2cc(Br)ccc21 ZINC000725247753 539192549 /nfs/dbraw/zinc/19/25/49/539192549.db2.gz XATMWTQASIIMGN-RYUDHWBXSA-N 0 3 267.170 2.258 10 0 CEAEHN CS[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000042853428 362124783 /nfs/dbraw/zinc/12/47/83/362124783.db2.gz BRKTYVYGLWAQDX-WCQYABFASA-N 0 3 266.410 2.157 10 0 CEAEHN Cc1cnn(CCN[C@H]2CCCc3cccnc32)c1 ZINC000236010521 539300848 /nfs/dbraw/zinc/30/08/48/539300848.db2.gz PKNLFEVXZYMJMW-AWEZNQCLSA-N 0 3 256.353 2.254 10 0 CEAEHN CC[C@H](O)CN1CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000174075674 529702362 /nfs/dbraw/zinc/70/23/62/529702362.db2.gz QNZINMGXKISEAV-WBVHZDCISA-N 0 3 276.424 2.445 10 0 CEAEHN CCC[C@@H](N)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000037801403 343430713 /nfs/dbraw/zinc/43/07/13/343430713.db2.gz XLABUUIRCXJGGJ-GXTWGEPZSA-N 0 3 296.436 2.383 10 0 CEAEHN CCO[C@@H]1CNC[C@H](Oc2ccccc2)[C@@H]1c1cnco1 ZINC000038458397 343434083 /nfs/dbraw/zinc/43/40/83/343434083.db2.gz DVZXOVOEAOZSPQ-KBMXLJTQSA-N 0 3 288.347 2.214 10 0 CEAEHN CCO[C@@H]1CNC[C@@H](Oc2ccccc2)[C@@H]1c1cnco1 ZINC000038458399 343434406 /nfs/dbraw/zinc/43/44/06/343434406.db2.gz DVZXOVOEAOZSPQ-BMFZPTHFSA-N 0 3 288.347 2.214 10 0 CEAEHN CCc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)o1 ZINC000133041182 136390094 /nfs/dbraw/zinc/39/00/94/136390094.db2.gz VEIPWGYNQIKXLC-ZDUSSCGKSA-N 0 3 286.379 2.391 10 0 CEAEHN CCCCOCCNCCOc1ccccc1OC ZINC000053567025 343579013 /nfs/dbraw/zinc/57/90/13/343579013.db2.gz GNSFQVZSIHTTKS-UHFFFAOYSA-N 0 3 267.369 2.480 10 0 CEAEHN CN(C)Cc1ccc(C2(O)CCC3(CC2)OCCO3)cc1 ZINC000078222588 343943261 /nfs/dbraw/zinc/94/32/61/343943261.db2.gz MVOLDXDBMQFKJU-UHFFFAOYSA-N 0 3 291.391 2.253 10 0 CEAEHN CC(C)[C@H](N)C(=O)N1CC[C@]2(CC[C@H](CCl)C2)C1 ZINC000095087995 344235875 /nfs/dbraw/zinc/23/58/75/344235875.db2.gz ZMJWYIZCNOYBBH-OBJOEFQTSA-N 0 3 272.820 2.227 10 0 CEAEHN C[C@H]1CCC[C@H](CCNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129759738 344346904 /nfs/dbraw/zinc/34/69/04/344346904.db2.gz XZVXPUAMESWIJE-LSDHHAIUSA-N 0 3 295.471 2.003 10 0 CEAEHN CC[C@H]1c2ccsc2CCN1C(=O)C1(N)CCOCC1 ZINC000132184120 344362087 /nfs/dbraw/zinc/36/20/87/344362087.db2.gz VQADEJYDKHGXFY-LBPRGKRZSA-N 0 3 294.420 2.092 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000139231533 344392892 /nfs/dbraw/zinc/39/28/92/344392892.db2.gz ZKUNRSXBXDCYQK-KBPBESRZSA-N 0 3 275.396 2.449 10 0 CEAEHN C[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccc(F)c(F)c1 ZINC000139232390 344392996 /nfs/dbraw/zinc/39/29/96/344392996.db2.gz RDPZKXDYIINIOF-JQWIXIFHSA-N 0 3 297.349 2.419 10 0 CEAEHN COC(=O)[C@H]1CNCC[C@H]1c1ccc(Cl)cc1 ZINC000147968957 344412745 /nfs/dbraw/zinc/41/27/45/344412745.db2.gz DXRLHHQCJXYHPB-RYUDHWBXSA-N 0 3 253.729 2.206 10 0 CEAEHN C[C@H]1CC(c2ccncc2[N+](=O)[O-])=CC(=O)[C@@H]1CN(C)C ZINC000149822343 344415473 /nfs/dbraw/zinc/41/54/73/344415473.db2.gz MRURIDYMVHCNJL-GXFFZTMASA-N 0 3 289.335 2.160 10 0 CEAEHN Cc1ccc(CN2CCO[C@H](CN(C)C)C2)cc1C ZINC000128233986 187359024 /nfs/dbraw/zinc/35/90/24/187359024.db2.gz AWYHSINZGXKISM-MRXNPFEDSA-N 0 3 262.397 2.066 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1N1CCN(C2CCCCC2)CC1 ZINC000221961762 344540100 /nfs/dbraw/zinc/54/01/00/344540100.db2.gz LIQJRITWCJLFRU-JKSUJKDBSA-N 0 3 266.429 2.240 10 0 CEAEHN C[C@@H]1CN(C[C@@H](O)COCc2ccccc2)C[C@@H](C)S1 ZINC000226673098 344550973 /nfs/dbraw/zinc/55/09/73/344550973.db2.gz GLDUWTVWYYESIM-IIAWOOMASA-N 0 3 295.448 2.390 10 0 CEAEHN NC1CN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000236170873 344595008 /nfs/dbraw/zinc/59/50/08/344595008.db2.gz GKAYOHAAWOEYFV-UHFFFAOYSA-N 0 3 275.577 2.245 10 0 CEAEHN O[C@H](c1occc1Br)[C@H]1CCCCN1 ZINC000236542731 344595921 /nfs/dbraw/zinc/59/59/21/344595921.db2.gz NIZBBWAVGSSCNP-BDAKNGLRSA-N 0 3 260.131 2.218 10 0 CEAEHN O=C1NCCC[C@H]1NCc1ccc2ccccc2c1 ZINC000050393809 362416828 /nfs/dbraw/zinc/41/68/28/362416828.db2.gz DDKCEVMYCVZLAU-OAHLLOKOSA-N 0 3 254.333 2.208 10 0 CEAEHN NCc1c(Br)nccc1OC(F)(F)F ZINC000238591293 344607007 /nfs/dbraw/zinc/60/70/07/344607007.db2.gz LXLKXNCYTYGBDA-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN N[C@H](CF)c1cccc(I)c1 ZINC000238685472 344607706 /nfs/dbraw/zinc/60/77/06/344607706.db2.gz NKOUTAOKPTVLIB-MRVPVSSYSA-N 0 3 265.069 2.261 10 0 CEAEHN CC[C@@H]1C[C@@H]1[C@@H](N)c1c(Br)cnn1C ZINC000307138455 344720645 /nfs/dbraw/zinc/72/06/45/344720645.db2.gz ZSZZJSBHMSDJOZ-BKPPORCPSA-N 0 3 258.163 2.229 10 0 CEAEHN C[C@H]1CS[C@@]2(CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000306594051 344715056 /nfs/dbraw/zinc/71/50/56/344715056.db2.gz XHRUYGWQJFUQCZ-JOYOIKCWSA-N 0 3 258.387 2.048 10 0 CEAEHN CCC[S@@](=O)[C@@H]1COc2ccccc2[C@@H]1NCC ZINC000084010403 178771606 /nfs/dbraw/zinc/77/16/06/178771606.db2.gz JVBUAYHSKXFFET-GLJUWKHASA-N 0 3 267.394 2.257 10 0 CEAEHN CC[C@H](C)N[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000584605110 344963619 /nfs/dbraw/zinc/96/36/19/344963619.db2.gz BNZHZYBYIUOPJY-WDEREUQCSA-N 0 3 298.408 2.017 10 0 CEAEHN CCOC(=O)CC1(N2CCOCC2)C[C@H](C)C[C@@H](C)C1 ZINC000084474800 178894381 /nfs/dbraw/zinc/89/43/81/178894381.db2.gz DOQTVZBMGLNOSV-ZIAGYGMSSA-N 0 3 283.412 2.467 10 0 CEAEHN Cc1cc(C[C@@H](N)c2ccncc2Cl)n(C)n1 ZINC000097273297 185575306 /nfs/dbraw/zinc/57/53/06/185575306.db2.gz UBXBYEDOWABSGZ-GFCCVEGCSA-N 0 3 250.733 2.019 10 0 CEAEHN CCCn1ncnc1C[C@@H](NCC)c1cc(C)nn1CC ZINC000097282151 185579076 /nfs/dbraw/zinc/57/90/76/185579076.db2.gz PZMISWHQXGRNKW-CYBMUJFWSA-N 0 3 290.415 2.106 10 0 CEAEHN CC[C@](C)([C@@H](Cc1ccncc1)NN)N1CCCCC1 ZINC000097585521 185632159 /nfs/dbraw/zinc/63/21/59/185632159.db2.gz XSTHDKDCCRYAKV-HZPDHXFCSA-N 0 3 276.428 2.111 10 0 CEAEHN C[C@](CO)(CSc1nc2ccccc2[nH]1)NC1CC1 ZINC000085291735 179007093 /nfs/dbraw/zinc/00/70/93/179007093.db2.gz JGKSXRSDWRYAAT-AWEZNQCLSA-N 0 3 277.393 2.158 10 0 CEAEHN CCN[C@@](C)(CO)CSc1nc2ccccc2o1 ZINC000085292460 179007705 /nfs/dbraw/zinc/00/77/05/179007705.db2.gz ZDJSWXDENXIEST-ZDUSSCGKSA-N 0 3 266.366 2.280 10 0 CEAEHN N[C@@](CO)(CSCc1ccco1)c1ccccc1 ZINC000085297922 179009544 /nfs/dbraw/zinc/00/95/44/179009544.db2.gz ONFXKCQOVLIMOZ-AWEZNQCLSA-N 0 3 263.362 2.359 10 0 CEAEHN C[C@@H]1CN[C@](C)(c2ccccc2)CN1Cc1ncccn1 ZINC000085531675 179092044 /nfs/dbraw/zinc/09/20/44/179092044.db2.gz FYJZHOHBBUBGCQ-PBHICJAKSA-N 0 3 282.391 2.186 10 0 CEAEHN Cc1nccc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000085674987 179112120 /nfs/dbraw/zinc/11/21/20/179112120.db2.gz LGXYNNLBZXGCGD-MJBXVCDLSA-N 0 3 261.369 2.078 10 0 CEAEHN Cc1cc(C2=NO[C@@H](CN)C2)ccc1Br ZINC000085708770 179123068 /nfs/dbraw/zinc/12/30/68/179123068.db2.gz ZWWFIYBPDJXPDB-SECBINFHSA-N 0 3 269.142 2.209 10 0 CEAEHN CN(C)C[C@@H](O)Cc1cc(Br)ccc1F ZINC000085794273 179173341 /nfs/dbraw/zinc/17/33/41/179173341.db2.gz FCQUQKOSYPHXEC-JTQLQIEISA-N 0 3 276.149 2.053 10 0 CEAEHN Cc1cccc(-c2oncc2CN2CCC(C(N)=O)CC2)c1 ZINC000065288918 362808980 /nfs/dbraw/zinc/80/89/80/362808980.db2.gz PGQIFDWZTNHWLE-UHFFFAOYSA-N 0 3 299.374 2.347 10 0 CEAEHN CC(C)Cc1ccc([C@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020034 179217766 /nfs/dbraw/zinc/21/77/66/179217766.db2.gz IAQWRDAWBZFLLY-GJZGRUSLSA-N 0 3 281.421 2.320 10 0 CEAEHN O=C(CNC[C@H]1CCCC[C@@H]1O)Nc1ccccc1Cl ZINC000085987653 179212784 /nfs/dbraw/zinc/21/27/84/179212784.db2.gz MBFQPYVHJFASJF-RISCZKNCSA-N 0 3 296.798 2.419 10 0 CEAEHN C[C@H]1[C@H](NCc2cc(C(N)=O)ccc2F)CC[C@@H]1C ZINC000086077837 179225662 /nfs/dbraw/zinc/22/56/62/179225662.db2.gz YVVWKCNDEIPMMI-IMSIIYSGSA-N 0 3 264.344 2.449 10 0 CEAEHN C[C@H]([C@H]1CCCO1)N1CCN[C@H](c2ccccc2)C1 ZINC000086127813 179235350 /nfs/dbraw/zinc/23/53/50/179235350.db2.gz JCFYLTIBBDXRPN-VNQPRFMTSA-N 0 3 260.381 2.200 10 0 CEAEHN C[C@H]([C@H]1CCCO1)N1CCN[C@@](C)(c2ccccc2)C1 ZINC000086127731 179235559 /nfs/dbraw/zinc/23/55/59/179235559.db2.gz QZSYZHYYROKBPN-DJIMGWMZSA-N 0 3 274.408 2.375 10 0 CEAEHN Cc1nccc(CN2C[C@@H](C)NC[C@@H]2c2ccccc2)n1 ZINC000086174014 179245951 /nfs/dbraw/zinc/24/59/51/179245951.db2.gz LAMDYMQAWMKKDO-CXAGYDPISA-N 0 3 282.391 2.320 10 0 CEAEHN Cn1cc([C@@H]2CCN(Cc3cnn(C(C)(C)C)c3)C2)cn1 ZINC000128546488 187376858 /nfs/dbraw/zinc/37/68/58/187376858.db2.gz ZMNGXXBERLFRNX-CQSZACIVSA-N 0 3 287.411 2.361 10 0 CEAEHN NCc1cc(NC(=O)c2ccncc2F)ccc1F ZINC000086315847 179268780 /nfs/dbraw/zinc/26/87/80/179268780.db2.gz QGGMSPDZBBBREV-UHFFFAOYSA-N 0 3 263.247 2.071 10 0 CEAEHN CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3NC)CCN1C ZINC000086444160 179293552 /nfs/dbraw/zinc/29/35/52/179293552.db2.gz QAXWFWOZTWIBBS-NEPJUHHUSA-N 0 3 294.468 2.270 10 0 CEAEHN CN[C@H]1CCCc2sc(N(C)CCCOC)nc21 ZINC000086444030 179293859 /nfs/dbraw/zinc/29/38/59/179293859.db2.gz VTAPHGCRDBPNKE-JTQLQIEISA-N 0 3 269.414 2.213 10 0 CEAEHN CN[C@@H]1CCCc2sc(N3CCN(C4CC4)CC3)nc21 ZINC000086443919 179293992 /nfs/dbraw/zinc/29/39/92/179293992.db2.gz PFWUCQKIHYNLPC-GFCCVEGCSA-N 0 3 292.452 2.024 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H](CC)CN1 ZINC000086446335 179294575 /nfs/dbraw/zinc/29/45/75/179294575.db2.gz SVOIOBMFOQNCOY-CABCVRRESA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)[C@@H](CC)CN1 ZINC000086446308 179294941 /nfs/dbraw/zinc/29/49/41/179294941.db2.gz BBOBTGVMMXXEST-CABCVRRESA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@H]1CN(C(=O)NC2CCCCC2)[C@@H](CC)CN1 ZINC000086448229 179295594 /nfs/dbraw/zinc/29/55/94/179295594.db2.gz PTFOLWMJKJVOJU-JSGCOSHPSA-N 0 3 267.417 2.491 10 0 CEAEHN CCC1C(=O)NC(C(C)C)C(=O)N1C(C)C1CCCC1 ZINC000086419628 179290640 /nfs/dbraw/zinc/29/06/40/179290640.db2.gz WNXJSWSOJWPPPQ-YUTCNCBUSA-N 0 3 280.412 2.327 10 0 CEAEHN CNC(=O)[C@@H]1C[C@H](c2cc(C)c(C)cc2C)CCN1 ZINC000086492919 179302317 /nfs/dbraw/zinc/30/23/17/179302317.db2.gz UCJGGKQZINJPQW-HIFRSBDPSA-N 0 3 260.381 2.193 10 0 CEAEHN COC(OC)[C@@H](N)Cc1ccc(F)c(Br)c1 ZINC000086451788 179296510 /nfs/dbraw/zinc/29/65/10/179296510.db2.gz OPTYWUOGGJTSBY-JTQLQIEISA-N 0 3 292.148 2.077 10 0 CEAEHN N[C@@H](Cc1ccccc1)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000086567205 179307812 /nfs/dbraw/zinc/30/78/12/179307812.db2.gz TXDPBCMXCOIZQO-GJZGRUSLSA-N 0 3 287.384 2.128 10 0 CEAEHN C[C@H](CO)CN[C@@H](c1ccccc1)c1ccncc1 ZINC000086627944 179313380 /nfs/dbraw/zinc/31/33/80/179313380.db2.gz BYCVAYZNLFNSBZ-BBRMVZONSA-N 0 3 256.349 2.389 10 0 CEAEHN C[C@@H](CO)CN[C@@H](c1ccccc1)c1ccncc1 ZINC000086627947 179313780 /nfs/dbraw/zinc/31/37/80/179313780.db2.gz BYCVAYZNLFNSBZ-CJNGLKHVSA-N 0 3 256.349 2.389 10 0 CEAEHN COCCNCc1csc(I)c1 ZINC000086688898 179320513 /nfs/dbraw/zinc/32/05/13/179320513.db2.gz MHDBECFXMDPCAG-UHFFFAOYSA-N 0 3 297.161 2.089 10 0 CEAEHN COc1cc([C@H](C)N[C@H]2CCCOC2)ccc1O ZINC000103953739 185867573 /nfs/dbraw/zinc/86/75/73/185867573.db2.gz BMHGABMJOXCKPU-JQWIXIFHSA-N 0 3 251.326 2.230 10 0 CEAEHN CC(C)C[C@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776241 179329232 /nfs/dbraw/zinc/32/92/32/179329232.db2.gz IMWIQVRXHLDLLZ-DZGCQCFKSA-N 0 3 282.428 2.434 10 0 CEAEHN CC(C)C[C@H](C)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776241 179329233 /nfs/dbraw/zinc/32/92/33/179329233.db2.gz IMWIQVRXHLDLLZ-DZGCQCFKSA-N 0 3 282.428 2.434 10 0 CEAEHN NCc1cnc(-c2ncc(Cl)cc2Cl)nc1 ZINC000086784405 179332407 /nfs/dbraw/zinc/33/24/07/179332407.db2.gz AGFKKFQOYFGVKS-UHFFFAOYSA-N 0 3 255.108 2.304 10 0 CEAEHN CCN[C@@]1(c2nc(C)cs2)CCCN(C)CC1 ZINC000086833660 179350496 /nfs/dbraw/zinc/35/04/96/179350496.db2.gz UOHVRMQCHOBFPB-ZDUSSCGKSA-N 0 3 253.415 2.372 10 0 CEAEHN CCCN1CCC[C@@H]([NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000086868580 179361035 /nfs/dbraw/zinc/36/10/35/179361035.db2.gz YQMAZLFDLGSGKX-CQSZACIVSA-N 0 3 268.401 2.048 10 0 CEAEHN CCC[N@@H+]1CCC[C@@H](N2CCC(C(=O)[O-])CC2)CC1 ZINC000086868580 179361038 /nfs/dbraw/zinc/36/10/38/179361038.db2.gz YQMAZLFDLGSGKX-CQSZACIVSA-N 0 3 268.401 2.048 10 0 CEAEHN CCC[N@H+]1CCC[C@@H](N2CCC(C(=O)[O-])CC2)CC1 ZINC000086868580 179361040 /nfs/dbraw/zinc/36/10/40/179361040.db2.gz YQMAZLFDLGSGKX-CQSZACIVSA-N 0 3 268.401 2.048 10 0 CEAEHN CC[N@H+](C[C@@H](C)C(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868947 179362753 /nfs/dbraw/zinc/36/27/53/179362753.db2.gz NVYULFRZBYXFEY-ZIAGYGMSSA-N 0 3 270.417 2.292 10 0 CEAEHN CC[N@@H+](C[C@@H](C)C(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868947 179362754 /nfs/dbraw/zinc/36/27/54/179362754.db2.gz NVYULFRZBYXFEY-ZIAGYGMSSA-N 0 3 270.417 2.292 10 0 CEAEHN COC(=O)C[C@@](C)(N)c1cccc(Br)c1 ZINC000086851383 179359124 /nfs/dbraw/zinc/35/91/24/179359124.db2.gz UHIZITNIIWWFHB-LLVKDONJSA-N 0 3 272.142 2.186 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](NC)c1cc(F)cc(F)c1 ZINC000086979098 179372524 /nfs/dbraw/zinc/37/25/24/179372524.db2.gz LTYLJRRIPHLCEL-CYBMUJFWSA-N 0 3 291.363 2.440 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2ccc(OC)c(F)c2)CC1 ZINC000086983662 179373796 /nfs/dbraw/zinc/37/37/96/179373796.db2.gz VOYPHGJDZHFEBY-HNNXBMFYSA-N 0 3 296.386 2.335 10 0 CEAEHN Nc1ncc(Cl)cc1[C@H](N)[C@H]1CSCCS1 ZINC000086983844 179373657 /nfs/dbraw/zinc/37/36/57/179373657.db2.gz DLYIBLNJKWHZTL-BDAKNGLRSA-N 0 3 275.830 2.166 10 0 CEAEHN Cc1csc2nc(C)c(CNCC3(O)CCCC3)n12 ZINC000087016405 179380346 /nfs/dbraw/zinc/38/03/46/179380346.db2.gz ZOCPXZPLQDUCCF-UHFFFAOYSA-N 0 3 279.409 2.407 10 0 CEAEHN CCNCc1ccnc([C@@H]2CSCCS2)n1 ZINC000086985369 179374140 /nfs/dbraw/zinc/37/41/40/179374140.db2.gz DFURRWLPLVOOFN-JTQLQIEISA-N 0 3 255.412 2.107 10 0 CEAEHN CC1CCC(O)(CN[C@H]2COc3cc(O)ccc32)CC1 ZINC000087043987 179387872 /nfs/dbraw/zinc/38/78/72/179387872.db2.gz PXXDUYZULGCUOB-WMEQCIOUSA-N 0 3 277.364 2.357 10 0 CEAEHN Cc1ccc(Cl)cc1NC(=O)CNCC1(O)CCCC1 ZINC000087028938 179382457 /nfs/dbraw/zinc/38/24/57/179382457.db2.gz YMOHANAHZRGDGO-UHFFFAOYSA-N 0 3 296.798 2.482 10 0 CEAEHN CNCc1ccc(OCc2cccc(Cl)c2)nn1 ZINC000087095471 179394282 /nfs/dbraw/zinc/39/42/82/179394282.db2.gz WSGKLKWFOGTRGX-UHFFFAOYSA-N 0 3 263.728 2.428 10 0 CEAEHN COCCNCc1c(C)nc(CSC(C)C)nc1C ZINC000087114830 179395522 /nfs/dbraw/zinc/39/55/22/179395522.db2.gz RSVQQRGXJWGVTD-UHFFFAOYSA-N 0 3 283.441 2.471 10 0 CEAEHN CCN[C@@H](COC)Cc1nc(CS[C@H](C)CC)no1 ZINC000087140990 179397264 /nfs/dbraw/zinc/39/72/64/179397264.db2.gz JMNJEOIULWUUEN-GHMZBOCLSA-N 0 3 287.429 2.268 10 0 CEAEHN CN1CC[C@@](O)(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000087166276 179398472 /nfs/dbraw/zinc/39/84/72/179398472.db2.gz LXHSBEMNEGDPBY-GFCCVEGCSA-N 0 3 259.271 2.315 10 0 CEAEHN CCN[C@H](Cc1cnn(CC)c1)c1cccc(C)n1 ZINC000104160081 185914354 /nfs/dbraw/zinc/91/43/54/185914354.db2.gz ZXXPQOJQRJXSSU-OAHLLOKOSA-N 0 3 258.369 2.500 10 0 CEAEHN COc1ccc(Cn2nc(C)c(C)c2C)cc1CN ZINC000087826546 179495548 /nfs/dbraw/zinc/49/55/48/179495548.db2.gz XNPCABYVZJMXHT-UHFFFAOYSA-N 0 3 259.353 2.324 10 0 CEAEHN N[C@H]1CN(C(=O)C2CCC2)CC[C@@H]1c1cccc(F)c1 ZINC000616569394 348523668 /nfs/dbraw/zinc/52/36/68/348523668.db2.gz IZRVUEVHXQTLPD-CABCVRRESA-N 0 3 276.355 2.269 10 0 CEAEHN CCOC(=O)c1cccc([C@H]2CCN(C)CCO2)c1 ZINC000616592456 348527379 /nfs/dbraw/zinc/52/73/79/348527379.db2.gz ANHOKVVPFDWPSN-CQSZACIVSA-N 0 3 263.337 2.257 10 0 CEAEHN CCNCc1ccn(CCc2ccc(OC)cc2)n1 ZINC000088106706 179549593 /nfs/dbraw/zinc/54/95/93/179549593.db2.gz BRYABOMUSRZRPJ-UHFFFAOYSA-N 0 3 259.353 2.244 10 0 CEAEHN c1cc([C@@H]2CCN(Cc3ccccc3)CCO2)n[nH]1 ZINC000616664989 348554514 /nfs/dbraw/zinc/55/45/14/348554514.db2.gz ZYCGHHFXIZQBND-HNNXBMFYSA-N 0 3 257.337 2.373 10 0 CEAEHN CC/C(=C\CN1CCC(C[NH+]2CCCC2)CC1)C(=O)[O-] ZINC000089076160 179697293 /nfs/dbraw/zinc/69/72/93/179697293.db2.gz KLVDEYYGHUYSHM-VIZOYTHASA-N 0 3 280.412 2.215 10 0 CEAEHN Cc1ccc(C(=O)CCN2C[C@H](O)C[C@H](C)C2)cc1 ZINC000401917446 233185708 /nfs/dbraw/zinc/18/57/08/233185708.db2.gz UXGAMHPFCBAPOG-DZGCQCFKSA-N 0 3 261.365 2.271 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1 ZINC000623766448 350107300 /nfs/dbraw/zinc/10/73/00/350107300.db2.gz GRPROBCUIGBMTR-XDTLVQLUSA-N 0 3 255.745 2.140 10 0 CEAEHN CC(C)(c1noc([C@]2(C)COC[C@H]2N)n1)c1ccccc1 ZINC000090573806 180007239 /nfs/dbraw/zinc/00/72/39/180007239.db2.gz VZGSDLKVTJQLPD-MLGOLLRUSA-N 0 3 287.363 2.011 10 0 CEAEHN C[C@@]1(C(=O)Nc2cccc(Cl)c2Cl)COC[C@H]1N ZINC000090581945 180008392 /nfs/dbraw/zinc/00/83/92/180008392.db2.gz URFZFVHDGRWCTD-BXKDBHETSA-N 0 3 289.162 2.296 10 0 CEAEHN CC(C)(C)c1ccccc1NC(=O)[C@@]1(C)COC[C@H]1N ZINC000090586086 180009310 /nfs/dbraw/zinc/00/93/10/180009310.db2.gz FGNAAHYLPSZTQT-CJNGLKHVSA-N 0 3 276.380 2.286 10 0 CEAEHN COc1ccc([C@@H](N)c2cnccc2C)cc1OC ZINC000090696460 180027043 /nfs/dbraw/zinc/02/70/43/180027043.db2.gz ZWPMABUZHSUSDS-OAHLLOKOSA-N 0 3 258.321 2.455 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)NC1CCCCC1 ZINC000090700201 180028127 /nfs/dbraw/zinc/02/81/27/180028127.db2.gz JZIICYCWGUFMDE-AWEZNQCLSA-N 0 3 299.484 2.398 10 0 CEAEHN CCOc1ncnc(N[C@@H](C)CN2CCCCC2)c1C ZINC000090791064 180042485 /nfs/dbraw/zinc/04/24/85/180042485.db2.gz SBURJZCQAILVCV-LBPRGKRZSA-N 0 3 278.400 2.470 10 0 CEAEHN CCNC(=O)CCSc1cccc(CNCCOC)c1 ZINC000090873093 180050240 /nfs/dbraw/zinc/05/02/40/180050240.db2.gz IJMBGDHJQSLSPR-UHFFFAOYSA-N 0 3 296.436 2.041 10 0 CEAEHN Fc1ccc2c(c1)C[C@H](CNCc1cccnc1)O2 ZINC000090892056 180053909 /nfs/dbraw/zinc/05/39/09/180053909.db2.gz WIWIROLTUDZZAW-CQSZACIVSA-N 0 3 258.296 2.314 10 0 CEAEHN NC(=S)C1CCN(C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893197 180055316 /nfs/dbraw/zinc/05/53/16/180055316.db2.gz HWJUEYDMJWOKHD-CYBMUJFWSA-N 0 3 294.395 2.127 10 0 CEAEHN Cc1ccc2c(c1)C[C@H](CN1CCC(C(N)=S)CC1)O2 ZINC000090898444 180057708 /nfs/dbraw/zinc/05/77/08/180057708.db2.gz DCNSMQYNPWMHJW-CQSZACIVSA-N 0 3 290.432 2.297 10 0 CEAEHN CCC(O)(CC)CNCc1sccc1NC(C)=O ZINC000090960841 180076483 /nfs/dbraw/zinc/07/64/83/180076483.db2.gz WJKQLBQANMJTIS-UHFFFAOYSA-N 0 3 270.398 2.347 10 0 CEAEHN CCCn1ccc(CN[C@H](CC(C)C)C(=O)NC)c1 ZINC000091012127 180086294 /nfs/dbraw/zinc/08/62/94/180086294.db2.gz XIOLBIPDSLDBPV-CQSZACIVSA-N 0 3 265.401 2.148 10 0 CEAEHN OC[C@@H](NCc1c[nH]c2ncccc12)c1ccccc1 ZINC000091018378 180086917 /nfs/dbraw/zinc/08/69/17/180086917.db2.gz FEIRLFKAKMFPBQ-OAHLLOKOSA-N 0 3 267.332 2.386 10 0 CEAEHN CCCn1cccc1CN[C@H](CC(C)C)C(=O)N(C)C ZINC000091023529 180088662 /nfs/dbraw/zinc/08/86/62/180088662.db2.gz AYYUZPCQSWLQQF-OAHLLOKOSA-N 0 3 279.428 2.491 10 0 CEAEHN CCCn1cccc1CNCCC(=O)N(CC)CC ZINC000091025437 180089442 /nfs/dbraw/zinc/08/94/42/180089442.db2.gz DSORLZXFYNJZEW-UHFFFAOYSA-N 0 3 265.401 2.246 10 0 CEAEHN CCN(CC[C@@H]1CNCCO1)c1cccc(F)c1 ZINC000091314024 180133157 /nfs/dbraw/zinc/13/31/57/180133157.db2.gz XIMUXFNNJYQVBJ-CQSZACIVSA-N 0 3 252.333 2.031 10 0 CEAEHN CCc1c(CNCCOC)cnn1[C@H](C)C1CC1 ZINC000091338127 180136642 /nfs/dbraw/zinc/13/66/42/180136642.db2.gz NQMOAGCGFMGXHJ-LLVKDONJSA-N 0 3 251.374 2.153 10 0 CEAEHN CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1)c1ccccn1 ZINC000091359186 180140544 /nfs/dbraw/zinc/14/05/44/180140544.db2.gz ZFOGOLLTKTWGRW-RDBSUJKOSA-N 0 3 273.380 2.355 10 0 CEAEHN O[C@@H](c1cncn1C1CC1)[C@@H]1NCCc2ccccc21 ZINC000091277387 180119965 /nfs/dbraw/zinc/11/99/65/180119965.db2.gz QCUBQQYUUYPSST-CVEARBPZSA-N 0 3 269.348 2.138 10 0 CEAEHN CCCCN([C@@H](CN)c1cncn1C1CC1)C1CC1 ZINC000091276377 180120249 /nfs/dbraw/zinc/12/02/49/180120249.db2.gz NWEGNWNGNXLSAO-AWEZNQCLSA-N 0 3 262.401 2.482 10 0 CEAEHN O=C(C[C@H]1CSCCN1)Nc1c(F)cc(F)cc1F ZINC000091291826 180123252 /nfs/dbraw/zinc/12/32/52/180123252.db2.gz GZMXUNHGMAOYQK-QMMMGPOBSA-N 0 3 290.310 2.138 10 0 CEAEHN CNc1c(F)cccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000091449975 180158036 /nfs/dbraw/zinc/15/80/36/180158036.db2.gz ACCYCTUDRVXSGI-LLVKDONJSA-N 0 3 279.359 2.034 10 0 CEAEHN CCc1ccc(C(=O)CN2CCC[C@H](N(C)C)C2)cc1 ZINC000091394020 180145461 /nfs/dbraw/zinc/14/54/61/180145461.db2.gz BISVEPBYJWXMBT-INIZCTEOSA-N 0 3 274.408 2.458 10 0 CEAEHN CN(C)[C@@H]1CCCN(C(=O)c2c(N)cccc2Cl)C1 ZINC000091395421 180146305 /nfs/dbraw/zinc/14/63/05/180146305.db2.gz MLNDUJDWZHGWRB-SNVBAGLBSA-N 0 3 281.787 2.088 10 0 CEAEHN CNCc1cncc(N(C)[C@H](C)c2cccs2)n1 ZINC000091419902 180150461 /nfs/dbraw/zinc/15/04/61/180150461.db2.gz SFAMUGJRYYAEHW-SNVBAGLBSA-N 0 3 262.382 2.455 10 0 CEAEHN CCCNCc1cncc(N(CC)CC(C)C)n1 ZINC000091419153 180150626 /nfs/dbraw/zinc/15/06/26/180150626.db2.gz NIHQSCDWSIZEPZ-UHFFFAOYSA-N 0 3 250.390 2.459 10 0 CEAEHN CC(C)NCc1cncc(N(C)[C@@H](C)C(C)C)n1 ZINC000091419380 180150688 /nfs/dbraw/zinc/15/06/88/180150688.db2.gz QOLYQFMEUCNUTH-LBPRGKRZSA-N 0 3 250.390 2.455 10 0 CEAEHN CC(C)CNCc1cncc(N(C)CC(F)(F)F)n1 ZINC000091419665 180150843 /nfs/dbraw/zinc/15/08/43/180150843.db2.gz HAXPNJFVQZKCKM-UHFFFAOYSA-N 0 3 276.306 2.221 10 0 CEAEHN CCCNCc1cncc(-n2ccc(C(F)(F)F)n2)n1 ZINC000091422460 180151161 /nfs/dbraw/zinc/15/11/61/180151161.db2.gz CUCMDZBHHZQZMK-UHFFFAOYSA-N 0 3 285.273 2.181 10 0 CEAEHN CCOCCN(CC)c1cncc(CNC(C)(C)C)n1 ZINC000091421670 180151203 /nfs/dbraw/zinc/15/12/03/180151203.db2.gz DVQLTIBEPRGOIJ-UHFFFAOYSA-N 0 3 280.416 2.228 10 0 CEAEHN Cc1cc([C@H](N)C(C)(C)N2CCOCC2)ccc1F ZINC000091566096 180193877 /nfs/dbraw/zinc/19/38/77/180193877.db2.gz QHFXUZNKAADMDH-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN CCN[C@@H](c1cnccc1N)[C@](C)(CC)N(C)C ZINC000091571210 180195636 /nfs/dbraw/zinc/19/56/36/180195636.db2.gz WNNFZCXFRMDGGQ-KBPBESRZSA-N 0 3 250.390 2.045 10 0 CEAEHN CCn1ccnc1[C@H](NC)[C@](C)(CC)N1CCCC1 ZINC000091606727 180204373 /nfs/dbraw/zinc/20/43/73/180204373.db2.gz QGKXBVUBYBPILG-ZFWWWQNUSA-N 0 3 264.417 2.428 10 0 CEAEHN CC[C@@](C)([C@@H](NC)c1cncnc1)N1CCCCC1 ZINC000091609655 180205430 /nfs/dbraw/zinc/20/54/30/180205430.db2.gz WACQUKVVJCWXCL-GJZGRUSLSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@@](C)([C@H](NC)c1nccn1C)N1CCCCC1 ZINC000091609729 180205830 /nfs/dbraw/zinc/20/58/30/180205830.db2.gz YPDINPWNAJWOHS-HIFRSBDPSA-N 0 3 264.417 2.335 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccc(F)cc1F)N1CCOCC1 ZINC000091611632 180206856 /nfs/dbraw/zinc/20/68/56/180206856.db2.gz HDSHHBWUAWNVOQ-LSDHHAIUSA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@](C)([C@@H](O)Cc1cccc(C)c1)N1CCOCC1 ZINC000091611076 180206860 /nfs/dbraw/zinc/20/68/60/180206860.db2.gz MJSNKQSZYNNAOS-DLBZAZTESA-N 0 3 277.408 2.399 10 0 CEAEHN CCN[C@@H](c1cncc(F)c1)[C@@](C)(CC)N1CCOCC1 ZINC000091612996 180206995 /nfs/dbraw/zinc/20/69/95/180206995.db2.gz TYSWFQVWXKCIHR-JKSUJKDBSA-N 0 3 295.402 2.372 10 0 CEAEHN Cc1ccncc1[C@@H](N)C1(N2CCOCC2)CCCC1 ZINC000091643034 180214032 /nfs/dbraw/zinc/21/40/32/180214032.db2.gz PUFKHCDCWNXUCA-OAHLLOKOSA-N 0 3 275.396 2.035 10 0 CEAEHN CC1CCC(C(=O)Cc2cnn(C)c2)(N(C)C)CC1 ZINC000091648231 180215469 /nfs/dbraw/zinc/21/54/69/180215469.db2.gz JVHSDYXZZHRODZ-UHFFFAOYSA-N 0 3 263.385 2.042 10 0 CEAEHN CC(C)n1ncnc1CC(=O)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091650353 180216053 /nfs/dbraw/zinc/21/60/53/180216053.db2.gz KBTRUXLUPRPDQV-CZUORRHYSA-N 0 3 292.427 2.481 10 0 CEAEHN CCn1ccnc1[C@@H](N)C1(N(C)C)CCC(C)CC1 ZINC000091648930 180216171 /nfs/dbraw/zinc/21/61/71/180216171.db2.gz XJUQTDPHSSESCK-JVWICGRDSA-N 0 3 264.417 2.413 10 0 CEAEHN CN[C@@H](c1nccn1C)C1(N(C)C)CCCCCC1 ZINC000091654452 180217344 /nfs/dbraw/zinc/21/73/44/180217344.db2.gz DRDSTJBJFXSFFR-ZDUSSCGKSA-N 0 3 264.417 2.335 10 0 CEAEHN Nc1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c(C(F)F)c1 ZINC000091662672 180219578 /nfs/dbraw/zinc/21/95/78/180219578.db2.gz QCAVRDXOWWKMMG-NEPJUHHUSA-N 0 3 297.349 2.482 10 0 CEAEHN CN[C@@H](c1ccccc1C(F)(F)F)[C@H]1CN(C)CCO1 ZINC000091717728 180232471 /nfs/dbraw/zinc/23/24/71/180232471.db2.gz YMXOENWVMLLFDP-OLZOCXBDSA-N 0 3 288.313 2.297 10 0 CEAEHN CN[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CN(C)CCO1 ZINC000091717472 180232784 /nfs/dbraw/zinc/23/27/84/180232784.db2.gz PXYGTROPFTVAAS-QWHCGFSZSA-N 0 3 288.313 2.297 10 0 CEAEHN CCN[C@@H](c1ccc(OCC)cc1)[C@H]1CN(C)CCO1 ZINC000091718408 180233253 /nfs/dbraw/zinc/23/32/53/180233253.db2.gz PQPCNNXCLJMQIN-CVEARBPZSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@@H](c1ccc(F)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718292 180233768 /nfs/dbraw/zinc/23/37/68/180233768.db2.gz SQUCSIIAUMCTJW-CABCVRRESA-N 0 3 266.360 2.115 10 0 CEAEHN CCCN[C@H](c1ccc(C)cc1)[C@H]1CN(C)CCO1 ZINC000091719237 180234171 /nfs/dbraw/zinc/23/41/71/180234171.db2.gz IFUKMIUUNGCWHB-HZPDHXFCSA-N 0 3 262.397 2.366 10 0 CEAEHN CCCN[C@@H](c1csc(C)c1)[C@H]1CN(C)CCO1 ZINC000091719464 180234656 /nfs/dbraw/zinc/23/46/56/180234656.db2.gz QWBKGDCYEUXRGQ-KGLIPLIRSA-N 0 3 268.426 2.428 10 0 CEAEHN CN[C@H](c1ccc(C)cc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720900 180236173 /nfs/dbraw/zinc/23/61/73/180236173.db2.gz HTBQKNMXDDBEED-DJIMGWMZSA-N 0 3 274.408 2.427 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1cc2ccccc2o1 ZINC000624235989 350239690 /nfs/dbraw/zinc/23/96/90/350239690.db2.gz ULNPZQUUFSVRNS-WCFLWFBJSA-N 0 3 261.321 2.233 10 0 CEAEHN CCN[C@H]1CCCc2sc([C@@H]3CN(C)CCO3)nc21 ZINC000091722551 180240064 /nfs/dbraw/zinc/24/00/64/180240064.db2.gz WQDKGVWAOGCJIM-QWRGUYRKSA-N 0 3 281.425 2.133 10 0 CEAEHN CCOc1ccc(CNCCc2nc(C)no2)cc1 ZINC000105470227 186059303 /nfs/dbraw/zinc/05/93/03/186059303.db2.gz VBQMHYYAFGIHLD-UHFFFAOYSA-N 0 3 261.325 2.109 10 0 CEAEHN C[C@]1(c2nc3ccc(F)cc3s2)COC[C@@H]1N ZINC000091939625 180289051 /nfs/dbraw/zinc/28/90/51/180289051.db2.gz SAMKPPORSFOBGZ-JQWIXIFHSA-N 0 3 252.314 2.051 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc3ccc(F)cc3s2)C1 ZINC000091939641 180289062 /nfs/dbraw/zinc/28/90/62/180289062.db2.gz GMYGYEIFAXETHE-SCZZXKLOSA-N 0 3 252.314 2.485 10 0 CEAEHN C[C@@]1(c2nc3ccc(F)cc3s2)COC[C@H]1N ZINC000091939628 180289493 /nfs/dbraw/zinc/28/94/93/180289493.db2.gz SAMKPPORSFOBGZ-ZYHUDNBSSA-N 0 3 252.314 2.051 10 0 CEAEHN CN[C@H]1COC[C@H]1c1nc2ccc(F)cc2s1 ZINC000091939596 180289542 /nfs/dbraw/zinc/28/95/42/180289542.db2.gz HGKBDDCIYPPCOK-SCZZXKLOSA-N 0 3 252.314 2.137 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000624634362 350326871 /nfs/dbraw/zinc/32/68/71/350326871.db2.gz RPQPFTGYPPYBFE-ZDUSSCGKSA-N 0 3 278.396 2.407 10 0 CEAEHN CCNCc1ncoc1-c1ccc(OC)c(OC)c1OC ZINC000091957813 180292023 /nfs/dbraw/zinc/29/20/23/180292023.db2.gz RXTPRZZCOQXCIQ-UHFFFAOYSA-N 0 3 292.335 2.477 10 0 CEAEHN NCc1nc(N2CCOCC2)sc1-c1ccccc1 ZINC000091960240 180292620 /nfs/dbraw/zinc/29/26/20/180292620.db2.gz LPVZTDAHJSWXAS-UHFFFAOYSA-N 0 3 275.377 2.105 10 0 CEAEHN O=C(N1CCCCC1)N1CCNCC12CCCCC2 ZINC000091969520 180294401 /nfs/dbraw/zinc/29/44/01/180294401.db2.gz WAWUUCMGRRULNE-UHFFFAOYSA-N 0 3 265.401 2.200 10 0 CEAEHN O=C(Nc1cccc2c1CCNC2)N1CCCCC1 ZINC000091969180 180294644 /nfs/dbraw/zinc/29/46/44/180294644.db2.gz MYZLIZUGPUEMGI-UHFFFAOYSA-N 0 3 259.353 2.350 10 0 CEAEHN CC1CCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2N)CC1 ZINC000091993157 180300287 /nfs/dbraw/zinc/30/02/87/180300287.db2.gz HSLQLURAHGSVQR-LSDHHAIUSA-N 0 3 273.380 2.053 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@H]1CCCC[C@@H]1O ZINC000091994812 180301438 /nfs/dbraw/zinc/30/14/38/180301438.db2.gz VZRHPOBSBRXVSN-ZFWWWQNUSA-N 0 3 264.369 2.182 10 0 CEAEHN CCCNCc1nc(C)ccc1OCC(=O)OC(C)C ZINC000091995275 180302497 /nfs/dbraw/zinc/30/24/97/180302497.db2.gz CMZSCQGVUKURMV-UHFFFAOYSA-N 0 3 280.368 2.220 10 0 CEAEHN CC(C)=CCN1CCCN(c2ccc(C)nn2)CC1 ZINC000105801129 186072937 /nfs/dbraw/zinc/07/29/37/186072937.db2.gz QIAVMZLJLUBKEO-UHFFFAOYSA-N 0 3 260.385 2.263 10 0 CEAEHN Cc1c(N)cccc1NC(=O)[C@@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000092080721 180318748 /nfs/dbraw/zinc/31/87/48/180318748.db2.gz GLUSFGJNFSTTEB-NTZNESFSSA-N 0 3 275.396 2.492 10 0 CEAEHN C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(N)c2)C[C@H]1C ZINC000092080952 180319746 /nfs/dbraw/zinc/31/97/46/180319746.db2.gz ADRUKGNCRBWESZ-AOOOYVTPSA-N 0 3 281.787 2.449 10 0 CEAEHN CC[C@@H](N)c1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092091256 180322069 /nfs/dbraw/zinc/32/20/69/180322069.db2.gz XWPPTJHROSEVSK-TYNCELHUSA-N 0 3 296.436 2.373 10 0 CEAEHN CCNCc1cnc(C)n1C[C@@H]1COc2ccccc21 ZINC000092306746 180360179 /nfs/dbraw/zinc/36/01/79/180360179.db2.gz VYFSMEHYNYDPQJ-CYBMUJFWSA-N 0 3 271.364 2.477 10 0 CEAEHN Cc1cccc(CN2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000105869292 186080811 /nfs/dbraw/zinc/08/08/11/186080811.db2.gz MTPJNTYFISPFQX-UHFFFAOYSA-N 0 3 298.434 2.436 10 0 CEAEHN COCCCN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874593 186081829 /nfs/dbraw/zinc/08/18/29/186081829.db2.gz OZWMUJOBDOMNDG-CQSZACIVSA-N 0 3 298.452 2.090 10 0 CEAEHN Fc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105883023 186083418 /nfs/dbraw/zinc/08/34/18/186083418.db2.gz JEKYORSCXIYJJN-AWEZNQCLSA-N 0 3 274.343 2.329 10 0 CEAEHN Cc1cnn(CCNCc2c[nH]nc2-c2ccccc2)c1 ZINC000105908649 186087797 /nfs/dbraw/zinc/08/77/97/186087797.db2.gz GHFFOJMIDFYSJV-UHFFFAOYSA-N 0 3 281.363 2.371 10 0 CEAEHN Cc1ccc(N2CCCN(CCCOC(C)C)CC2)nn1 ZINC000105909391 186088010 /nfs/dbraw/zinc/08/80/10/186088010.db2.gz AVYFKMYEMWAIBR-UHFFFAOYSA-N 0 3 292.427 2.112 10 0 CEAEHN Cc1nc(C)n(C[C@@H]2CCCN(C/C=C/Cl)C2)n1 ZINC000105920004 186090447 /nfs/dbraw/zinc/09/04/47/186090447.db2.gz OQMGDCPFPSUVBV-DIECRNLCSA-N 0 3 268.792 2.359 10 0 CEAEHN CSc1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1 ZINC000105926787 186092533 /nfs/dbraw/zinc/09/25/33/186092533.db2.gz HLUDOWVSHIZESA-AWEZNQCLSA-N 0 3 280.437 2.171 10 0 CEAEHN Cc1nn(C)c(C)c1CNC1=NC[C@H](C2CC2)S1 ZINC000092341162 180366125 /nfs/dbraw/zinc/36/61/25/180366125.db2.gz BABXCVCLXCXDMH-GFCCVEGCSA-N 0 3 264.398 2.008 10 0 CEAEHN Cc1noc(C)c1CN1CCN[C@@H](c2ccccc2)C1 ZINC000092342672 180366165 /nfs/dbraw/zinc/36/61/65/180366165.db2.gz MDZFUTKSVSISCA-MRXNPFEDSA-N 0 3 271.364 2.438 10 0 CEAEHN Cc1cc([N-]S(=O)(=O)c2cccc([C@H](C)[NH3+])c2)ccn1 ZINC000092364752 180368356 /nfs/dbraw/zinc/36/83/56/180368356.db2.gz XTLTVQHJJHXBGV-NSHDSACASA-N 0 3 291.376 2.211 10 0 CEAEHN CC(C)[C@H](CO)N[C@H](C)c1nc2ccccc2n1C ZINC000092393180 180376390 /nfs/dbraw/zinc/37/63/90/180376390.db2.gz VNCUZPDYSOXRRH-YPMHNXCESA-N 0 3 261.369 2.241 10 0 CEAEHN CCCNc1ccnc(CN2CCC[C@H]2C(=O)OC)c1 ZINC000092418259 180381176 /nfs/dbraw/zinc/38/11/76/180381176.db2.gz MGYLVXHVNJYFSH-AWEZNQCLSA-N 0 3 277.368 2.041 10 0 CEAEHN CCNc1ccnc(CN2CCC(C(=O)OCC)CC2)c1 ZINC000092418079 180381269 /nfs/dbraw/zinc/38/12/69/180381269.db2.gz LCVVISQDHBYMSA-UHFFFAOYSA-N 0 3 291.395 2.289 10 0 CEAEHN CCCNc1ccnc(CN2CCN(C3CC3)CC2)c1 ZINC000092418909 180382151 /nfs/dbraw/zinc/38/21/51/180382151.db2.gz AZWXIHDIPKGWPL-UHFFFAOYSA-N 0 3 274.412 2.184 10 0 CEAEHN Nc1ccnc(CN2CCC(C(F)(F)F)CC2)c1 ZINC000092419396 180382755 /nfs/dbraw/zinc/38/27/55/180382755.db2.gz HAGANDYCLPEFHI-UHFFFAOYSA-N 0 3 259.275 2.438 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](n1nc(C)nc1C)CC2 ZINC000092386138 180373623 /nfs/dbraw/zinc/37/36/23/180373623.db2.gz LYIBOWQSFVURET-CABCVRRESA-N 0 3 272.352 2.091 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@H]1n1nc(C)nc1C ZINC000092386147 180373698 /nfs/dbraw/zinc/37/36/98/180373698.db2.gz PTUAGONYMLHAIR-CVEARBPZSA-N 0 3 286.379 2.352 10 0 CEAEHN CC(C)(C)NCC(=O)Nc1cc2c(cc1Cl)NC(=O)C2 ZINC000092460670 180389563 /nfs/dbraw/zinc/38/95/63/180389563.db2.gz NBZGVMDZESZKRM-UHFFFAOYSA-N 0 3 295.770 2.161 10 0 CEAEHN CC(C)(C)NCC(=O)Nc1c(F)cc(F)cc1F ZINC000092461491 180390208 /nfs/dbraw/zinc/39/02/08/180390208.db2.gz SYJGVURLRKMNBY-UHFFFAOYSA-N 0 3 260.259 2.431 10 0 CEAEHN C[C@H](O)c1ccccc1NC(=O)CNC(C)(C)C ZINC000092461065 180390394 /nfs/dbraw/zinc/39/03/94/180390394.db2.gz KDQIGCUVSNUGFA-JTQLQIEISA-N 0 3 250.342 2.067 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2c(F)cccc2Cl)CCN1C ZINC000107908228 186197229 /nfs/dbraw/zinc/19/72/29/186197229.db2.gz URQKFQYWOIDMII-MFKMUULPSA-N 0 3 285.794 2.115 10 0 CEAEHN COc1cc(C)c(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1OC ZINC000107926425 186198436 /nfs/dbraw/zinc/19/84/36/186198436.db2.gz WLODMJIFUITWMQ-YIONKMFJSA-N 0 3 291.391 2.500 10 0 CEAEHN C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1F ZINC000108994235 186239687 /nfs/dbraw/zinc/23/96/87/186239687.db2.gz HCNLDFGRXQDNDL-NWDGAFQWSA-N 0 3 264.344 2.092 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1F ZINC000108994233 186240085 /nfs/dbraw/zinc/24/00/85/186240085.db2.gz HCNLDFGRXQDNDL-NEPJUHHUSA-N 0 3 264.344 2.092 10 0 CEAEHN CN[C@@H](COC)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000109494646 186256274 /nfs/dbraw/zinc/25/62/74/186256274.db2.gz NFPVYZWRMBYZQB-LLVKDONJSA-N 0 3 281.743 2.167 10 0 CEAEHN NNc1cc(C2CC2)nc(Cc2ccc(F)cc2)n1 ZINC000109527354 186260292 /nfs/dbraw/zinc/26/02/92/186260292.db2.gz HZLMCTKKNIKUMU-UHFFFAOYSA-N 0 3 258.300 2.370 10 0 CEAEHN Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2F)c([O-])c1 ZINC000109540277 186261228 /nfs/dbraw/zinc/26/12/28/186261228.db2.gz OEWSNZFDJBILCZ-UHFFFAOYSA-N 0 3 288.322 2.228 10 0 CEAEHN CCCN[C@@H]1c2ccc(-n3ccnc3C)cc2NC1=O ZINC000109572861 186263447 /nfs/dbraw/zinc/26/34/47/186263447.db2.gz CNVARMNZWVEVKO-CQSZACIVSA-N 0 3 270.336 2.174 10 0 CEAEHN CCc1ccc(CN2CCN([C@H](C)C(N)=S)CC2)cc1 ZINC000109468059 186253533 /nfs/dbraw/zinc/25/35/33/186253533.db2.gz BETHGYGGJHYWMW-CYBMUJFWSA-N 0 3 291.464 2.041 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(CC2CCCC2)CC1 ZINC000109470003 186253583 /nfs/dbraw/zinc/25/35/83/186253583.db2.gz XZXJNKRSONTDIU-CQSZACIVSA-N 0 3 283.485 2.249 10 0 CEAEHN CCC[C@@H](C(N)=S)N1CCN(Cc2ccsc2)CC1 ZINC000109470148 186254032 /nfs/dbraw/zinc/25/40/32/186254032.db2.gz RFBSLLYDMXYACA-ZDUSSCGKSA-N 0 3 297.493 2.321 10 0 CEAEHN CCN(CC)[C@@H]1CCN(c2nc(C)c(C=O)s2)C1 ZINC000110272206 186289764 /nfs/dbraw/zinc/28/97/64/186289764.db2.gz SZWWCQYSGICDRT-LLVKDONJSA-N 0 3 267.398 2.185 10 0 CEAEHN Cc1nc(N2CC[C@@H](N3CCCC3)C2)sc1[C@@H](C)O ZINC000110271610 186290031 /nfs/dbraw/zinc/29/00/31/186290031.db2.gz UOBFRFRSRPYXLK-VXGBXAGGSA-N 0 3 281.425 2.179 10 0 CEAEHN Cc1nnc(Sc2cccc(F)c2[C@@H](C)N)n1C ZINC000110368794 186294234 /nfs/dbraw/zinc/29/42/34/186294234.db2.gz XTLFKSBZNJBLGS-SSDOTTSWSA-N 0 3 266.345 2.434 10 0 CEAEHN CN[C@@H](CO[C@@H]1CCOC1)c1cc2ccccc2o1 ZINC000110526848 186300862 /nfs/dbraw/zinc/30/08/62/186300862.db2.gz RSTGZZMMPGNFHL-OLZOCXBDSA-N 0 3 261.321 2.499 10 0 CEAEHN CC(C)(C)NCc1cccnc1O[C@H]1CCOC1 ZINC000110532452 186301838 /nfs/dbraw/zinc/30/18/38/186301838.db2.gz KKHGFQMCLLAYDW-LBPRGKRZSA-N 0 3 250.342 2.137 10 0 CEAEHN CCOc1cc(N[C@@H]2CN3CCC2CC3)c(N)cc1F ZINC000110632528 186307750 /nfs/dbraw/zinc/30/77/50/186307750.db2.gz VEMDZYHREXBLOT-CQSZACIVSA-N 0 3 279.359 2.313 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000110809926 186326074 /nfs/dbraw/zinc/32/60/74/186326074.db2.gz TUCOMQAWEKPNQP-HIFRSBDPSA-N 0 3 270.417 2.340 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)CC1CCCC1)NC1CC1 ZINC000110841189 186329104 /nfs/dbraw/zinc/32/91/04/186329104.db2.gz HYIKYOWSNORSPZ-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN C[C@@H](NCc1n[nH]nc1-c1ccccc1)[C@H]1CCCO1 ZINC000110924520 186333324 /nfs/dbraw/zinc/33/33/24/186333324.db2.gz HJPSJKYYXRQLKD-BXUZGUMPSA-N 0 3 272.352 2.129 10 0 CEAEHN C[C@@H](NCc1[nH]nnc1-c1ccccc1)[C@H]1CCCO1 ZINC000110924520 186333325 /nfs/dbraw/zinc/33/33/25/186333325.db2.gz HJPSJKYYXRQLKD-BXUZGUMPSA-N 0 3 272.352 2.129 10 0 CEAEHN N[C@H]1CCCc2nc(Cc3nc4ccccc4[nH]3)ncc21 ZINC000110950984 186335680 /nfs/dbraw/zinc/33/56/80/186335680.db2.gz BTTLARAQHILENV-NSHDSACASA-N 0 3 279.347 2.280 10 0 CEAEHN CCOC(=O)COc1cc(C)ccc1[C@H](C)NC ZINC000110959826 186337100 /nfs/dbraw/zinc/33/71/00/186337100.db2.gz TYWUPXKHNMHTLW-NSHDSACASA-N 0 3 251.326 2.217 10 0 CEAEHN CC[C@H]1CN(CCCOc2cccc(N)c2)CCN1C ZINC000110703505 186315021 /nfs/dbraw/zinc/31/50/21/186315021.db2.gz FMZSPXFGRIGNIQ-HNNXBMFYSA-N 0 3 277.412 2.064 10 0 CEAEHN C[C@H]1C[C@H]1c1ccc([C@@H](CN)N2CCN(C)C(C)(C)C2)o1 ZINC000110711882 186315564 /nfs/dbraw/zinc/31/55/64/186315564.db2.gz VEFYOWMIGCXNSZ-BFHYXJOUSA-N 0 3 291.439 2.429 10 0 CEAEHN CC(C)c1ccc([C@@H](O)CN2CCN(C)[C@@H](C)C2)cc1 ZINC000110735374 186317137 /nfs/dbraw/zinc/31/71/37/186317137.db2.gz FXSMTOVOSCKEBY-YOEHRIQHSA-N 0 3 276.424 2.479 10 0 CEAEHN CCN1CCN([C@@H]2CCCc3ccccc3[C@@H]2O)C[C@@H]1C ZINC000110735870 186318116 /nfs/dbraw/zinc/31/81/16/186318116.db2.gz AWMZFQLWEJIQEK-QGTPRVQTSA-N 0 3 288.435 2.451 10 0 CEAEHN CN1CCCC[C@@H]1CNC(=O)c1c(N)cccc1Cl ZINC000111012094 186343384 /nfs/dbraw/zinc/34/33/84/186343384.db2.gz KWPNTSNUBZCUHT-SNVBAGLBSA-N 0 3 281.787 2.136 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc(F)c2F)C[C@@H](C)O1 ZINC000111038978 186346785 /nfs/dbraw/zinc/34/67/85/186346785.db2.gz RMVDUHRJFMQHFD-BREBYQMCSA-N 0 3 270.323 2.074 10 0 CEAEHN CCc1ccc([C@H](CN)N(C)C[C@@H]2CCCOC2)o1 ZINC000111158490 186362215 /nfs/dbraw/zinc/36/22/15/186362215.db2.gz HDZXUCYULCHWSM-JSGCOSHPSA-N 0 3 266.385 2.200 10 0 CEAEHN CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)[C@@H](N)C(C)(C)C ZINC000111088099 186352019 /nfs/dbraw/zinc/35/20/19/186352019.db2.gz VNQVENUCTRELAY-QNWHQSFQSA-N 0 3 252.402 2.254 10 0 CEAEHN CCCOCCOC[C@H](NC)c1ccccc1OC ZINC000111108015 186353593 /nfs/dbraw/zinc/35/35/93/186353593.db2.gz FDDLMRUKVNMHNH-AWEZNQCLSA-N 0 3 267.369 2.399 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1cc(OC)ccc1OC ZINC000111117572 186355162 /nfs/dbraw/zinc/35/51/62/186355162.db2.gz UELCBJSYZQJHPD-HNNXBMFYSA-N 0 3 296.411 2.062 10 0 CEAEHN CCOc1ccc(C(C)=O)cc1CN(C)CCN(C)C ZINC000111139582 186357616 /nfs/dbraw/zinc/35/76/16/186357616.db2.gz WPYVDESXEFNVBC-UHFFFAOYSA-N 0 3 278.396 2.281 10 0 CEAEHN CCCc1nc(N(C)CCCN(C)C)sc1C=O ZINC000111151642 186359773 /nfs/dbraw/zinc/35/97/73/186359773.db2.gz YYOAZDGROWOZHA-UHFFFAOYSA-N 0 3 269.414 2.296 10 0 CEAEHN Nc1cncc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000111178041 186364786 /nfs/dbraw/zinc/36/47/86/186364786.db2.gz CCJJXBOAYSBZAA-AWEZNQCLSA-N 0 3 283.379 2.135 10 0 CEAEHN N[C@@H](c1nc2c(s1)CCCC2)[C@H]1CCCOC1 ZINC000111322167 186397329 /nfs/dbraw/zinc/39/73/29/186397329.db2.gz VROQJBJWCNIYCO-JOYOIKCWSA-N 0 3 252.383 2.448 10 0 CEAEHN Cc1cc([C@@H](C)NC(=O)c2ccc(CN)cn2)c(C)o1 ZINC000111282130 186387691 /nfs/dbraw/zinc/38/76/91/186387691.db2.gz AUVGEVWUGILKAH-SNVBAGLBSA-N 0 3 273.336 2.241 10 0 CEAEHN CN(C(=O)c1ccc(CN)cn1)[C@H]1CCc2ccccc21 ZINC000111281562 186388007 /nfs/dbraw/zinc/38/80/07/186388007.db2.gz REJXVEKLRXAVRT-INIZCTEOSA-N 0 3 281.359 2.300 10 0 CEAEHN CN(C(=O)c1ccc2c(c1)COC2)c1cccc(CN)c1 ZINC000111304950 186393906 /nfs/dbraw/zinc/39/39/06/186393906.db2.gz FOTQAHPWSDGYEJ-UHFFFAOYSA-N 0 3 282.343 2.452 10 0 CEAEHN Cc1ccc(CC(=O)N[C@H](CN(C)C)c2ccccc2)cn1 ZINC000122723943 187047442 /nfs/dbraw/zinc/04/74/42/187047442.db2.gz KKZJSPVSWMNYGG-QGZVFWFLSA-N 0 3 297.402 2.352 10 0 CEAEHN Cc1cnn(CCNCc2sc(C)nc2C)c1 ZINC000123672237 187104322 /nfs/dbraw/zinc/10/43/22/187104322.db2.gz NVGXLSNNZKVLRH-UHFFFAOYSA-N 0 3 250.371 2.055 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1ccncc1Br ZINC000631079736 351953152 /nfs/dbraw/zinc/95/31/52/351953152.db2.gz PESQIEQPWCZLMU-ZYHUDNBSSA-N 0 3 285.185 2.095 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1ccncc1Br ZINC000631079734 351953619 /nfs/dbraw/zinc/95/36/19/351953619.db2.gz PESQIEQPWCZLMU-JQWIXIFHSA-N 0 3 285.185 2.095 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)c1ccccc1F ZINC000092632912 539827543 /nfs/dbraw/zinc/82/75/43/539827543.db2.gz FHCRWPPPLGHYNJ-CYBMUJFWSA-N 0 3 278.371 2.425 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1CC(=O)c1ccccc1F ZINC000094462233 539879806 /nfs/dbraw/zinc/87/98/06/539879806.db2.gz OOULKZKZKJOKIQ-QWHCGFSZSA-N 0 3 276.355 2.177 10 0 CEAEHN COCCOc1cccc(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000136167092 187867829 /nfs/dbraw/zinc/86/78/29/187867829.db2.gz CAEZFBPHSUSBNE-INIZCTEOSA-N 0 3 292.379 2.183 10 0 CEAEHN Cc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155411188 188204496 /nfs/dbraw/zinc/20/44/96/188204496.db2.gz PZWHJVMADMJQIR-ZFWWWQNUSA-N 0 3 260.381 2.454 10 0 CEAEHN C[C@@H](N)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000158157402 188360534 /nfs/dbraw/zinc/36/05/34/188360534.db2.gz CQMOPLYVJKVDCH-XCBNKYQSSA-N 0 3 278.249 2.283 10 0 CEAEHN COc1cccc(CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000158725034 188390963 /nfs/dbraw/zinc/39/09/63/188390963.db2.gz VXQBJTSSZNAOAA-MRXNPFEDSA-N 0 3 290.407 2.180 10 0 CEAEHN Fc1ccc2ncnc(N3CCN4CCCC[C@H]4C3)c2c1 ZINC000301258265 283011348 /nfs/dbraw/zinc/01/13/48/283011348.db2.gz UKONYDGPPPJPNM-ZDUSSCGKSA-N 0 3 286.354 2.443 10 0 CEAEHN CC[C@@H]1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000132492483 366148255 /nfs/dbraw/zinc/14/82/55/366148255.db2.gz ADMVZFKZMBEQEE-MJBXVCDLSA-N 0 3 267.417 2.157 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@@H](O)COC[C@H]2CCCO2)c1 ZINC000157330038 540038715 /nfs/dbraw/zinc/03/87/15/540038715.db2.gz UROGMSUESHBWKC-USXIJHARSA-N 0 3 293.407 2.202 10 0 CEAEHN CC[C@H](C)N=[S@@](=O)(c1ccc(N)cc1)N(C)C ZINC000675074900 540116217 /nfs/dbraw/zinc/11/62/17/540116217.db2.gz JOPUJORKUOTFNE-BTDLBPIBSA-N 0 3 255.387 2.371 10 0 CEAEHN CCCN[S@@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675075812 540117163 /nfs/dbraw/zinc/11/71/63/540117163.db2.gz ROFPWLDXCIYIQT-QGZVFWFLSA-N 0 3 253.371 2.173 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)c1ncc(C)s1)N(C)C ZINC000133703487 366249557 /nfs/dbraw/zinc/24/95/57/366249557.db2.gz FLVXELQJNHSMHG-QWRGUYRKSA-N 0 3 269.414 2.359 10 0 CEAEHN C[C@@H]1CN(CCc2ccccc2F)C[C@@H]1N1CCOCC1 ZINC000137617471 366546636 /nfs/dbraw/zinc/54/66/36/366546636.db2.gz NDRYKEWPFLCIAN-PBHICJAKSA-N 0 3 292.398 2.021 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1F ZINC000177025842 189021837 /nfs/dbraw/zinc/02/18/37/189021837.db2.gz HAVBUDYMVFDHBW-CQSZACIVSA-N 0 3 293.386 2.451 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccccn1 ZINC000177334555 189044393 /nfs/dbraw/zinc/04/43/93/189044393.db2.gz WZYOXKBGYOYCMM-KBPBESRZSA-N 0 3 290.411 2.268 10 0 CEAEHN C[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)C1CC1 ZINC000178398757 189113146 /nfs/dbraw/zinc/11/31/46/189113146.db2.gz MYVBBYMURILNNX-WFASDCNBSA-N 0 3 260.381 2.452 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCn1cc(Cl)cn1 ZINC000336322435 213167196 /nfs/dbraw/zinc/16/71/96/213167196.db2.gz ZRGAQLMXFBHGSK-JSGCOSHPSA-N 0 3 282.819 2.095 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CN2CCCCC2)O1 ZINC000152019643 366683668 /nfs/dbraw/zinc/68/36/68/366683668.db2.gz COFWFKDNMVTTJY-KFWWJZLASA-N 0 3 280.412 2.031 10 0 CEAEHN Cc1cc(C)c(CC(=O)N2CCN3CCC[C@@H]3C2)c(C)c1 ZINC000179913164 189227618 /nfs/dbraw/zinc/22/76/18/189227618.db2.gz SRZJLMGNMRSGCY-MRXNPFEDSA-N 0 3 286.419 2.461 10 0 CEAEHN COc1c(C)cc(C(=O)N2CCN3CCC[C@@H]3C2)cc1C ZINC000179913299 189227883 /nfs/dbraw/zinc/22/78/83/189227883.db2.gz XXXUCWIUWBRGAU-OAHLLOKOSA-N 0 3 288.391 2.232 10 0 CEAEHN CC1CC(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000638666395 370672684 /nfs/dbraw/zinc/67/26/84/370672684.db2.gz FFUGXAWSQFYYKE-UHFFFAOYSA-N 0 3 260.337 2.153 10 0 CEAEHN Cn1cc([C@H]2CCN(CCCC(=O)OC(C)(C)C)C2)cn1 ZINC000181890523 189309486 /nfs/dbraw/zinc/30/94/86/189309486.db2.gz SKRVMOBNCDHTBA-ZDUSSCGKSA-N 0 3 293.411 2.331 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000182921238 189339516 /nfs/dbraw/zinc/33/95/16/189339516.db2.gz TXTPJFRGTPMIFQ-GZMMTYOYSA-N 0 3 256.296 2.269 10 0 CEAEHN c1ccc(-n2c3ccccc3nc2N2CCNCC2)cc1 ZINC000019946406 361570067 /nfs/dbraw/zinc/57/00/67/361570067.db2.gz RBTFXSZFSSDOAJ-UHFFFAOYSA-N 0 3 278.359 2.435 10 0 CEAEHN O=C(C[C@H]1CSCCN1)N[C@@H]1CCCc2ccccc21 ZINC000091134578 364069831 /nfs/dbraw/zinc/06/98/31/364069831.db2.gz CAFHXVBNTHDEQR-DZGCQCFKSA-N 0 3 290.432 2.275 10 0 CEAEHN CCc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)[nH]n1 ZINC000097218557 364481309 /nfs/dbraw/zinc/48/13/09/364481309.db2.gz SRISMHPTVGOIGY-HNNXBMFYSA-N 0 3 286.379 2.005 10 0 CEAEHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)COC)N(C)C)cc1 ZINC000103428380 364652404 /nfs/dbraw/zinc/65/24/04/364652404.db2.gz ULANCMCYLOJJLB-XJKSGUPXSA-N 0 3 292.423 2.250 10 0 CEAEHN COc1cc(N2CCN(CC(C)C)CC2)ccc1N ZINC000111055723 364724323 /nfs/dbraw/zinc/72/43/23/364724323.db2.gz IMTJONOQSZBIQC-UHFFFAOYSA-N 0 3 263.385 2.055 10 0 CEAEHN C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000112046183 364770038 /nfs/dbraw/zinc/77/00/38/364770038.db2.gz URKMVWUPXADYHW-ZFWWWQNUSA-N 0 3 260.381 2.028 10 0 CEAEHN COc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000113228021 364877457 /nfs/dbraw/zinc/87/74/57/364877457.db2.gz ASZUIZMDQZIHNY-GXTWGEPZSA-N 0 3 274.364 2.004 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(N(C)C)cc1 ZINC000113444897 364895058 /nfs/dbraw/zinc/89/50/58/364895058.db2.gz DHOPGGGVETWERB-CZUORRHYSA-N 0 3 287.407 2.061 10 0 CEAEHN CC1(C)CCN(C(=O)C23CCCN2CCC3)CCS1 ZINC000336011017 365287551 /nfs/dbraw/zinc/28/75/51/365287551.db2.gz VQJCQUOQYQNWSP-UHFFFAOYSA-N 0 3 282.453 2.359 10 0 CEAEHN CCCOc1ncccc1CNC(=O)[C@H](CCC)N(C)C ZINC000119922817 365345545 /nfs/dbraw/zinc/34/55/45/365345545.db2.gz MIXFHJVVTRTKQZ-AWEZNQCLSA-N 0 3 293.411 2.217 10 0 CEAEHN CC1(C)CCCCN([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336180600 365520446 /nfs/dbraw/zinc/52/04/46/365520446.db2.gz LJBQDPXDYPECLI-HNNXBMFYSA-N 0 3 294.439 2.278 10 0 CEAEHN CCC[C@@H](C(=O)NCCN1CCCC[C@@H]1CC)N(C)C ZINC000162135197 367140155 /nfs/dbraw/zinc/14/01/55/367140155.db2.gz UJRKSRLAVWTOGK-GJZGRUSLSA-N 0 3 283.460 2.097 10 0 CEAEHN CCC[C@H](C(=O)NCc1cccc(OCC)c1)N(C)C ZINC000161605046 367101023 /nfs/dbraw/zinc/10/10/23/367101023.db2.gz BDQPGJPXMDFWIZ-OAHLLOKOSA-N 0 3 278.396 2.432 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)Cc1c(C)noc1C)N(C)C ZINC000162673980 367178429 /nfs/dbraw/zinc/17/84/29/367178429.db2.gz BDVJFPVRWDWQJZ-QMTHXVAHSA-N 0 3 281.400 2.069 10 0 CEAEHN Cc1ccc(C[C@H](C)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000245517621 370832143 /nfs/dbraw/zinc/83/21/43/370832143.db2.gz HAERIBLOOSNUML-RDJZCZTQSA-N 0 3 286.419 2.480 10 0 CEAEHN Cc1c(CNCC(C)(C)NC(=O)OC(C)(C)C)cnn1C ZINC000163127703 367219795 /nfs/dbraw/zinc/21/97/95/367219795.db2.gz STALUGNUOICYPX-UHFFFAOYSA-N 0 3 296.415 2.121 10 0 CEAEHN Cc1c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cnn1C(C)C ZINC000245634879 370851430 /nfs/dbraw/zinc/85/14/30/370851430.db2.gz WQENZVVVUQUOOW-DOMZBBRYSA-N 0 3 292.427 2.231 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1Cc1cncs1 ZINC000166960321 367333428 /nfs/dbraw/zinc/33/34/28/367333428.db2.gz PSSCEFZBHGZHEK-VXGBXAGGSA-N 0 3 251.399 2.202 10 0 CEAEHN CC/C=C\CCN1CCN(CCOCC)[C@@H](C)C1 ZINC000342254569 367398271 /nfs/dbraw/zinc/39/82/71/367398271.db2.gz WGIFGJZZLWVABM-XHPSBEMXSA-N 0 3 254.418 2.385 10 0 CEAEHN COc1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000171077793 367472441 /nfs/dbraw/zinc/47/24/41/367472441.db2.gz IQRHSPITBBWQCU-NSHDSACASA-N 0 3 281.331 2.002 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC000170862352 367433800 /nfs/dbraw/zinc/43/38/00/367433800.db2.gz NJEKTPMQJBVAIK-QMMMGPOBSA-N 0 3 258.774 2.178 10 0 CEAEHN Cc1cccc(OCCCC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170862069 367433856 /nfs/dbraw/zinc/43/38/56/367433856.db2.gz CCDPYVFEACSGLY-OAHLLOKOSA-N 0 3 290.407 2.317 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)c(F)c1 ZINC000170861250 367434607 /nfs/dbraw/zinc/43/46/07/367434607.db2.gz GXOVXZPZPUMBNA-JQWIXIFHSA-N 0 3 297.349 2.371 10 0 CEAEHN CCc1ccc(CC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000172907438 367840058 /nfs/dbraw/zinc/84/00/58/367840058.db2.gz APSGUKZLQWGKKH-MRXNPFEDSA-N 0 3 272.392 2.098 10 0 CEAEHN CN(CCc1cccs1)C[C@@H](O)COC(C)(C)C ZINC000174158419 367991729 /nfs/dbraw/zinc/99/17/29/367991729.db2.gz GEAVVRBOMPJYMZ-GFCCVEGCSA-N 0 3 271.426 2.398 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccnc1C ZINC000175006935 368088779 /nfs/dbraw/zinc/08/87/79/368088779.db2.gz KBFHMOACZLGBAA-UONOGXRCSA-N 0 3 273.380 2.089 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cccc(C)n1 ZINC000177402781 368266780 /nfs/dbraw/zinc/26/67/80/368266780.db2.gz IFCBEWISTSUZSB-HNNXBMFYSA-N 0 3 290.411 2.016 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ncc(C)s1 ZINC000177550977 368272930 /nfs/dbraw/zinc/27/29/30/368272930.db2.gz UBHCYBKTKGTWAM-LBPRGKRZSA-N 0 3 296.440 2.077 10 0 CEAEHN Cc1ccc2c(c1)OCCC[C@H]2N[C@@H]1CCc2ncnn2C1 ZINC000180598630 368387468 /nfs/dbraw/zinc/38/74/68/368387468.db2.gz RXVVYRLWKWJXPT-UKRRQHHQSA-N 0 3 298.390 2.405 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccc(F)cn1)c1ccccc1 ZINC000181658616 368479736 /nfs/dbraw/zinc/47/97/36/368479736.db2.gz RXGSBSWYGKYKLS-OAHLLOKOSA-N 0 3 287.338 2.253 10 0 CEAEHN CCC[C@H](C(=O)NCCCNc1cccc(F)c1)N(C)C ZINC000182061663 368520671 /nfs/dbraw/zinc/52/06/71/368520671.db2.gz SJOJUEJVYKRYSJ-OAHLLOKOSA-N 0 3 295.402 2.474 10 0 CEAEHN Cc1ccc(F)cc1CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246041674 370902590 /nfs/dbraw/zinc/90/25/90/370902590.db2.gz XCVKKDCQTZRHMZ-YOEHRIQHSA-N 0 3 292.398 2.287 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](C)c1nc(C)cs1)N(C)C ZINC000186001212 368902791 /nfs/dbraw/zinc/90/27/91/368902791.db2.gz MRTVOJIOWBBRDP-JQWIXIFHSA-N 0 3 283.441 2.402 10 0 CEAEHN C[C@@H]1CN(CCN(C)Cc2ccc(F)cc2)CCCO1 ZINC000186933656 369071823 /nfs/dbraw/zinc/07/18/23/369071823.db2.gz ZRXDUDPHODYUNI-CQSZACIVSA-N 0 3 280.387 2.368 10 0 CEAEHN COc1cc(NC(=O)N2CCN3CCC[C@@H]3C2)ccc1F ZINC000187045526 369090405 /nfs/dbraw/zinc/09/04/05/369090405.db2.gz AEQNDJGYKCNTBC-GFCCVEGCSA-N 0 3 293.342 2.146 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(F)c(OC)c2)C1 ZINC000187059506 369094679 /nfs/dbraw/zinc/09/46/79/369094679.db2.gz WQOGLWAKASHTMY-LBPRGKRZSA-N 0 3 295.358 2.440 10 0 CEAEHN O=C([C@H]1C[C@H](F)CN1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000188901381 369425867 /nfs/dbraw/zinc/42/58/67/369425867.db2.gz LEHAGNZZZQAUEQ-GUTXKFCHSA-N 0 3 266.360 2.035 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]cnc3c2)C1 ZINC000246595898 370983080 /nfs/dbraw/zinc/98/30/80/370983080.db2.gz ZGKDKCDLEAPZRL-IAQYHMDHSA-N 0 3 286.379 2.021 10 0 CEAEHN CCOC(=O)C1CCC(O)(CN(C)Cc2ccco2)CC1 ZINC000191441834 369713560 /nfs/dbraw/zinc/71/35/60/369713560.db2.gz NQTNFHRXLPOPQA-UHFFFAOYSA-N 0 3 295.379 2.196 10 0 CEAEHN CCCCOC[C@H](O)CN[C@H](C)c1ccc(C)o1 ZINC000193241632 369909981 /nfs/dbraw/zinc/90/99/81/369909981.db2.gz GVXAVKNBJHSTPI-CHWSQXEVSA-N 0 3 255.358 2.416 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCSC ZINC000178712759 284189765 /nfs/dbraw/zinc/18/97/65/284189765.db2.gz XPANLDUYMLRUMK-WOPDTQHZSA-N 0 3 257.399 2.156 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccnn2C)C12CCOCC2 ZINC000193297846 369921321 /nfs/dbraw/zinc/92/13/21/369921321.db2.gz JVYUTHWQFXXKDE-AEGPPILISA-N 0 3 293.411 2.045 10 0 CEAEHN C[C@H](CCN1CCCNC(=O)[C@@H]1C)c1ccccc1 ZINC000194848741 370080117 /nfs/dbraw/zinc/08/01/17/370080117.db2.gz LQCHMSWTBXLYIM-KGLIPLIRSA-N 0 3 260.381 2.391 10 0 CEAEHN COc1cccc(C)c1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000194994632 370094988 /nfs/dbraw/zinc/09/49/88/370094988.db2.gz NKARLWTXOGXBTD-CYBMUJFWSA-N 0 3 289.379 2.316 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000637886382 370147782 /nfs/dbraw/zinc/14/77/82/370147782.db2.gz JXDOMRSPTSBCGI-DTWKUNHWSA-N 0 3 256.296 2.140 10 0 CEAEHN CCN[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000637886384 370147813 /nfs/dbraw/zinc/14/78/13/370147813.db2.gz JXDOMRSPTSBCGI-IUCAKERBSA-N 0 3 256.296 2.140 10 0 CEAEHN Cn1nc(CN[C@@H]2CCCC[C@H]2CO)c2ccccc21 ZINC000219005636 370215390 /nfs/dbraw/zinc/21/53/90/370215390.db2.gz FHXCRSDTEQNOHI-GXTWGEPZSA-N 0 3 273.380 2.214 10 0 CEAEHN C[C@H](CCNCc1ccccn1)NC(=O)OC(C)(C)C ZINC000222086688 370249213 /nfs/dbraw/zinc/24/92/13/370249213.db2.gz YLWMWVJGOIEIGK-GFCCVEGCSA-N 0 3 279.384 2.475 10 0 CEAEHN COc1cc2c(cc1Br)OCC[C@@H]2N ZINC000218281737 370208302 /nfs/dbraw/zinc/20/83/02/370208302.db2.gz BLZRRFCKKDNLBE-QMMMGPOBSA-N 0 3 258.115 2.240 10 0 CEAEHN CCN(C[C@@H]1CCCO1)C[C@@](C)(O)c1ccccc1 ZINC000226149543 370328782 /nfs/dbraw/zinc/32/87/82/370328782.db2.gz ZEBKUEYOMKPUSP-JKSUJKDBSA-N 0 3 263.381 2.395 10 0 CEAEHN Cc1c(CNCC[C@H](C)NC(=O)OC(C)(C)C)cnn1C ZINC000229809089 370431493 /nfs/dbraw/zinc/43/14/93/370431493.db2.gz RZWCKNWCVGQCEK-NSHDSACASA-N 0 3 296.415 2.121 10 0 CEAEHN CO[C@@H]1C[C@@H](CO)N(Cc2coc3ccccc23)C1 ZINC000343981828 217002269 /nfs/dbraw/zinc/00/22/69/217002269.db2.gz MNWZAZUBDYYNDU-QWHCGFSZSA-N 0 3 261.321 2.014 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000164448166 541810369 /nfs/dbraw/zinc/81/03/69/541810369.db2.gz PRWLRVGXLILSTF-IRXDYDNUSA-N 0 3 274.408 2.448 10 0 CEAEHN c1ccc(-c2nsc(N3CCN4CCC[C@H]4C3)n2)cc1 ZINC000246893008 371027719 /nfs/dbraw/zinc/02/77/19/371027719.db2.gz HGMVHMSEUSZOJZ-ZDUSSCGKSA-N 0 3 286.404 2.490 10 0 CEAEHN C[C@@H](CN1CCN(C[C@H](C)O)[C@@H](C)C1)c1ccccc1 ZINC000246956560 371035950 /nfs/dbraw/zinc/03/59/50/371035950.db2.gz DCDWKJPDRJUEIN-JYJNAYRXSA-N 0 3 276.424 2.177 10 0 CEAEHN CCCCO[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC)C1(C)C ZINC000246969642 371038894 /nfs/dbraw/zinc/03/88/94/371038894.db2.gz XTPGERIELNYMSV-RWMBFGLXSA-N 0 3 270.417 2.214 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccsc1 ZINC000247055215 371056591 /nfs/dbraw/zinc/05/65/91/371056591.db2.gz WRRGSPHIBZPUOJ-OLZOCXBDSA-N 0 3 264.394 2.447 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(C[C@H](C)c2ccccc2)C1 ZINC000247109621 371066276 /nfs/dbraw/zinc/06/62/76/371066276.db2.gz NFAQVBLVXAXWPX-XJKSGUPXSA-N 0 3 260.381 2.391 10 0 CEAEHN CC(C)c1noc([C@@H](C)N2CCN3CCC[C@H]3C2)n1 ZINC000247129107 371067961 /nfs/dbraw/zinc/06/79/61/371067961.db2.gz KFHIQOIAWDFSJV-NEPJUHHUSA-N 0 3 264.373 2.034 10 0 CEAEHN CC[C@@H](OC1CCCC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000247135145 371070001 /nfs/dbraw/zinc/07/00/01/371070001.db2.gz XLOPTFOIFNYPJC-DZGCQCFKSA-N 0 3 280.412 2.031 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC000247366615 371099150 /nfs/dbraw/zinc/09/91/50/371099150.db2.gz OWMCCCRJBJUECF-IJEWVQPXSA-N 0 3 290.407 2.299 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2cscn2)C1 ZINC000247345419 371096867 /nfs/dbraw/zinc/09/68/67/371096867.db2.gz NSUHYXIZDDHSOV-DGCLKSJQSA-N 0 3 296.440 2.013 10 0 CEAEHN c1coc(-c2cc(CN3CCN4CCC[C@H]4C3)no2)c1 ZINC000247397213 371103199 /nfs/dbraw/zinc/10/31/99/371103199.db2.gz XXSGCCMGCVMOLQ-ZDUSSCGKSA-N 0 3 273.336 2.215 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H](C)c2cccc(F)c2)C[C@@H]1C ZINC000247537894 371122197 /nfs/dbraw/zinc/12/21/97/371122197.db2.gz CSLLQFDDCTZNLU-IHRRRGAJSA-N 0 3 280.387 2.274 10 0 CEAEHN CCc1nnc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)n1C ZINC000248422351 371191772 /nfs/dbraw/zinc/19/17/72/371191772.db2.gz MQJPVBNVVDBGKA-YNEHKIRRSA-N 0 3 262.401 2.388 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCO1 ZINC000248627245 371226203 /nfs/dbraw/zinc/22/62/03/371226203.db2.gz ZCUGKQFAGZHBHB-JJXSEGSLSA-N 0 3 296.455 2.427 10 0 CEAEHN CC(=O)CC(C)(C)CC(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000249018571 371283851 /nfs/dbraw/zinc/28/38/51/371283851.db2.gz JTTNHIPCRSRJCO-JSGCOSHPSA-N 0 3 280.412 2.077 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000249773246 371362202 /nfs/dbraw/zinc/36/22/02/371362202.db2.gz UPURXNUNIVCFEQ-IHRRRGAJSA-N 0 3 267.417 2.349 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCC[C@@H](C)C2)C1 ZINC000249810148 371364906 /nfs/dbraw/zinc/36/49/06/371364906.db2.gz YILFHYFAUKXOFU-RDBSUJKOSA-N 0 3 267.417 2.349 10 0 CEAEHN CCCCS[C@@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000249832703 371365582 /nfs/dbraw/zinc/36/55/82/371365582.db2.gz PSCSVXDGGUSCKG-STQMWFEESA-N 0 3 270.442 2.215 10 0 CEAEHN C[C@H](c1cnccn1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249587037 371342810 /nfs/dbraw/zinc/34/28/10/371342810.db2.gz UEVHTAGCAXMWOH-XBFCOCLRSA-N 0 3 289.404 2.307 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(F)c(OC)cc1F ZINC000236897236 189850534 /nfs/dbraw/zinc/85/05/34/189850534.db2.gz NXDYLYBLLKHXLU-JVXZTZIISA-N 0 3 272.295 2.285 10 0 CEAEHN Cc1ccncc1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252691911 371469847 /nfs/dbraw/zinc/46/98/47/371469847.db2.gz ZJZUQBPFQDKIOY-ZBFHGGJFSA-N 0 3 259.397 2.449 10 0 CEAEHN CC(C)(C)OC(=O)CCN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252708783 371470951 /nfs/dbraw/zinc/47/09/51/371470951.db2.gz BBKQPFRTOIIORK-XJKSGUPXSA-N 0 3 283.412 2.345 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000253550679 371528483 /nfs/dbraw/zinc/52/84/83/371528483.db2.gz WCILARVLOHDUJG-ZNMIVQPWSA-N 0 3 284.444 2.427 10 0 CEAEHN NC[C@@H](c1ccc(Br)cc1)N1CCC1 ZINC000258082004 371616372 /nfs/dbraw/zinc/61/63/72/371616372.db2.gz VKCNSKYBGALMNX-NSHDSACASA-N 0 3 255.159 2.155 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C\c2ccc(Cl)nc2)C1 ZINC000255475455 371590505 /nfs/dbraw/zinc/59/05/05/371590505.db2.gz TZXOGJFYFQWURH-FWPCIQOSSA-N 0 3 293.798 2.349 10 0 CEAEHN CCc1ccc([C@H]2CNCCN2Cc2cnn(C)c2C)cc1 ZINC000261709312 371708603 /nfs/dbraw/zinc/70/86/03/371708603.db2.gz MJIFHLLGAFVHAN-GOSISDBHSA-N 0 3 298.434 2.437 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000262712829 371899052 /nfs/dbraw/zinc/89/90/52/371899052.db2.gz SDVJRZIAHCOLII-GWCFXTLKSA-N 0 3 252.358 2.153 10 0 CEAEHN CC1(C)CN[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000643987650 373326411 /nfs/dbraw/zinc/32/64/11/373326411.db2.gz BHNJENDJVNASKE-KGLIPLIRSA-N 0 3 258.365 2.178 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@H]2NCC2(C)C)cc1F ZINC000644015666 373338341 /nfs/dbraw/zinc/33/83/41/373338341.db2.gz RQSATPGSQOSUFZ-ZWNOBZJWSA-N 0 3 264.344 2.309 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2cccc3cccnc32)C[C@H]1C ZINC000247169155 220219229 /nfs/dbraw/zinc/21/92/29/220219229.db2.gz MUNOEDGZSHNXGU-CABCVRRESA-N 0 3 299.418 2.122 10 0 CEAEHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000645295928 373974789 /nfs/dbraw/zinc/97/47/89/373974789.db2.gz KSNFDKDGNATXOP-OPRDCNLKSA-N 0 3 278.318 2.222 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCOC1CCC1 ZINC000376535251 374709985 /nfs/dbraw/zinc/70/99/85/374709985.db2.gz YHZONMZMGSOQBT-UONOGXRCSA-N 0 3 252.402 2.114 10 0 CEAEHN CC(C)c1nc([C@@H]2CCCN(C[C@H]3CCOC3)C2)no1 ZINC000377489438 374865088 /nfs/dbraw/zinc/86/50/88/374865088.db2.gz ADSCTLTWTNIMMQ-CHWSQXEVSA-N 0 3 279.384 2.409 10 0 CEAEHN CCN1CC[C@@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC000389262491 375301018 /nfs/dbraw/zinc/30/10/18/375301018.db2.gz OZMGVQHFDHRZEI-CQSZACIVSA-N 0 3 271.364 2.124 10 0 CEAEHN CCN1CC[C@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000389243609 375302094 /nfs/dbraw/zinc/30/20/94/375302094.db2.gz LJTYBXOGOUDONU-HNNXBMFYSA-N 0 3 270.380 2.056 10 0 CEAEHN C[C@H]1CC(CNCc2ccc(CO)o2)C[C@H](C)O1 ZINC000282391582 375473492 /nfs/dbraw/zinc/47/34/92/375473492.db2.gz YAMYZSRASDVWLJ-QWRGUYRKSA-N 0 3 253.342 2.065 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cccc(Cl)c1 ZINC000282218177 375430926 /nfs/dbraw/zinc/43/09/26/375430926.db2.gz DUSASSQDOASMCL-SKDRFNHKSA-N 0 3 252.745 2.097 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cnc(C(C)(C)C)s1 ZINC000282264339 375442351 /nfs/dbraw/zinc/44/23/51/375442351.db2.gz HGDWKAULCNOXFQ-GXSJLCMTSA-N 0 3 281.425 2.197 10 0 CEAEHN COc1ccccc1[C@H](C)N[C@H]1CCC(=O)N[C@H]1C ZINC000282290740 375448103 /nfs/dbraw/zinc/44/81/03/375448103.db2.gz LRJWBJJUAQPUOA-GVXVVHGQSA-N 0 3 262.353 2.013 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CCSc2ccccc21 ZINC000282507664 375501901 /nfs/dbraw/zinc/50/19/01/375501901.db2.gz YPNXEUGDBJVSJM-WCFLWFBJSA-N 0 3 276.405 2.480 10 0 CEAEHN COc1ccc(Cl)cc1CN[C@@H]1CCC(=O)N[C@@H]1C ZINC000282524219 375507202 /nfs/dbraw/zinc/50/72/02/375507202.db2.gz YMFBWTVSYNFLME-BXKDBHETSA-N 0 3 282.771 2.105 10 0 CEAEHN Cc1ccc(CN2C[C@@H]3CCCCN3C[C@@H]2C)nc1 ZINC000334322105 206367888 /nfs/dbraw/zinc/36/78/88/206367888.db2.gz IKXWPBCFWORXBS-HOCLYGCPSA-N 0 3 259.397 2.449 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCc1cnn(CC(F)F)c1 ZINC000312696348 376724305 /nfs/dbraw/zinc/72/43/05/376724305.db2.gz RBHOARGFHIMDIW-CYBMUJFWSA-N 0 3 288.386 2.214 10 0 CEAEHN COc1ccc(CNC[C@@H](O)C(C)(C)C)c(F)c1 ZINC000324474466 376840088 /nfs/dbraw/zinc/84/00/88/376840088.db2.gz BMPYZSAETKAXMJ-CYBMUJFWSA-N 0 3 255.333 2.331 10 0 CEAEHN C[C@@H](C(=O)Nc1cccnc1)[C@H](N)c1ccccc1 ZINC000131615443 249315572 /nfs/dbraw/zinc/31/55/72/249315572.db2.gz PYFHDVLPOUIBSM-RISCZKNCSA-N 0 3 255.321 2.356 10 0 CEAEHN CCOc1ccc(OCCN2CCC[C@H](O)[C@H]2C)cc1 ZINC000296236131 378462335 /nfs/dbraw/zinc/46/23/35/378462335.db2.gz NIHQUMOVAOCLPM-CJNGLKHVSA-N 0 3 279.380 2.309 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(Cc2ccc3ccccc3n2)C1 ZINC000334746875 207008476 /nfs/dbraw/zinc/00/84/76/207008476.db2.gz RZIVMLVCDOTBKL-SWLSCSKDSA-N 0 3 256.349 2.438 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(Cc2ccc3ccccc3n2)C1 ZINC000334746873 207009028 /nfs/dbraw/zinc/00/90/28/207009028.db2.gz RZIVMLVCDOTBKL-IUODEOHRSA-N 0 3 256.349 2.438 10 0 CEAEHN CC(C)CN(CC(C)C)C(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000183148448 542287828 /nfs/dbraw/zinc/28/78/28/542287828.db2.gz TXTQSHGFYJOHBZ-LSDHHAIUSA-N 0 3 284.444 2.284 10 0 CEAEHN CC(C)C[C@H](C)N(C)C(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000183137595 542287853 /nfs/dbraw/zinc/28/78/53/542287853.db2.gz FIGIYSVRHJTJOA-MJBXVCDLSA-N 0 3 270.417 2.037 10 0 CEAEHN c1cn(C[C@H]2CCCN2Cc2cccc3nccn32)cn1 ZINC000188411897 542321611 /nfs/dbraw/zinc/32/16/11/542321611.db2.gz ICQNWIAJFAMARU-CQSZACIVSA-N 0 3 281.363 2.195 10 0 CEAEHN CCOC(OCC)[C@H](Cc1cccc(F)c1F)NC ZINC000093306880 184661779 /nfs/dbraw/zinc/66/17/79/184661779.db2.gz WBUWMFKSTYERAC-LBPRGKRZSA-N 0 3 273.323 2.494 10 0 CEAEHN CC(C)(C)c1ncc(CN[C@@H]2CCC[C@@H](O)C2)cn1 ZINC000388573846 542371496 /nfs/dbraw/zinc/37/14/96/542371496.db2.gz UMFCAENSIKGAJK-CHWSQXEVSA-N 0 3 263.385 2.167 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000245473581 285239275 /nfs/dbraw/zinc/23/92/75/285239275.db2.gz QBKAFSCIUILPQX-HZPDHXFCSA-N 0 3 297.487 2.296 10 0 CEAEHN NCc1c(F)cccc1N(CCO)C1CCCCC1 ZINC000093395350 184671403 /nfs/dbraw/zinc/67/14/03/184671403.db2.gz FWKCCVXOJDMFNN-UHFFFAOYSA-N 0 3 266.360 2.416 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC2(C)CCCCC2)C1 ZINC000116535538 285267552 /nfs/dbraw/zinc/26/75/52/285267552.db2.gz GGHHFUHECZFAGI-ZDUSSCGKSA-N 0 3 267.417 2.493 10 0 CEAEHN COc1ccc(SCC[C@H]2CCC[C@@]2(N)C(N)=O)cc1 ZINC000093629123 184698612 /nfs/dbraw/zinc/69/86/12/184698612.db2.gz OFXXKYKSZPQZQJ-ABAIWWIYSA-N 0 3 294.420 2.160 10 0 CEAEHN CCNCc1cccc(OC)c1OCC(C)(C)C(=O)OC ZINC000093714520 184708692 /nfs/dbraw/zinc/70/86/92/184708692.db2.gz NNYXHOSGDXARCR-UHFFFAOYSA-N 0 3 295.379 2.383 10 0 CEAEHN CN[C@H](c1csc(C)c1)[C@@H]1CN(C(C)C)CCO1 ZINC000093926412 184744467 /nfs/dbraw/zinc/74/44/67/184744467.db2.gz NEAFZFSSPYSKPG-UONOGXRCSA-N 0 3 268.426 2.426 10 0 CEAEHN Nc1ccc2nc(N3CC[C@H](N4CCCCC4)C3)oc2c1 ZINC000094354551 184787302 /nfs/dbraw/zinc/78/73/02/184787302.db2.gz HCDGEKWJFHSEDK-ZDUSSCGKSA-N 0 3 286.379 2.475 10 0 CEAEHN CCCC1(O)CN([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094411132 184794420 /nfs/dbraw/zinc/79/44/20/184794420.db2.gz MVVZAMXOYTYKIU-CYBMUJFWSA-N 0 3 285.453 2.278 10 0 CEAEHN CCCN[C@@H](Cc1ccc(OC)nc1)c1cnccn1 ZINC000094633247 184830607 /nfs/dbraw/zinc/83/06/07/184830607.db2.gz GONKDFVBWRZBTQ-ZDUSSCGKSA-N 0 3 272.352 2.164 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000262167526 131196771 /nfs/dbraw/zinc/19/67/71/131196771.db2.gz WLDXLQUGJQPUMP-WFASDCNBSA-N 0 3 282.384 2.299 10 0 CEAEHN C[C@H]1CNCCN1c1cc(Br)ccc1F ZINC000083086612 135014134 /nfs/dbraw/zinc/01/41/34/135014134.db2.gz NBYBMFMPUHYMLB-QMMMGPOBSA-N 0 3 273.149 2.386 10 0 CEAEHN CCCNCc1c(Cl)cccc1N1CCN(C)C(=O)C1 ZINC000084205945 135032515 /nfs/dbraw/zinc/03/25/15/135032515.db2.gz LAGHNOISVGFDAQ-UHFFFAOYSA-N 0 3 295.814 2.118 10 0 CEAEHN Nc1cccc(N2CCN(CCC[C@@H]3CCCO3)CC2)c1 ZINC000087263301 135049587 /nfs/dbraw/zinc/04/95/87/135049587.db2.gz BYTOIKRYFOTRLC-QGZVFWFLSA-N 0 3 289.423 2.350 10 0 CEAEHN Cc1nnc(N2CCC(C(F)(F)F)CC2)c(CN)c1C ZINC000088416219 135054340 /nfs/dbraw/zinc/05/43/40/135054340.db2.gz PCKHDHHRZLPPEN-UHFFFAOYSA-N 0 3 288.317 2.331 10 0 CEAEHN C[C@H]1C[C@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093123580 135079976 /nfs/dbraw/zinc/07/99/76/135079976.db2.gz ZDGXNXICDKTPLY-SWLSCSKDSA-N 0 3 288.395 2.006 10 0 CEAEHN C[C@@H](O)c1ccc(N2CCN3CCCC[C@@H]3C2)cc1O ZINC000094439828 135087754 /nfs/dbraw/zinc/08/77/54/135087754.db2.gz YUHGEIZGAMBQRC-TZMCWYRMSA-N 0 3 276.380 2.120 10 0 CEAEHN Nc1ccc(N2CCN3CCCC[C@@H]3C2)c2cccnc12 ZINC000094439014 135087992 /nfs/dbraw/zinc/08/79/92/135087992.db2.gz UWPVDYNDFUKKLE-CYBMUJFWSA-N 0 3 282.391 2.492 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000246482853 394516919 /nfs/dbraw/zinc/51/69/19/394516919.db2.gz WYCVGIWVBJYVNX-QWHCGFSZSA-N 0 3 290.473 2.071 10 0 CEAEHN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2N)cc1 ZINC000032629474 394489827 /nfs/dbraw/zinc/48/98/27/394489827.db2.gz GYKPRYVYGWAFFY-OLZOCXBDSA-N 0 3 253.367 2.039 10 0 CEAEHN Cc1ccccc1CN[C@@H](C)C(=O)N1CCCCC1 ZINC000037853389 394497806 /nfs/dbraw/zinc/49/78/06/394497806.db2.gz ZQRAMSBZQRJUTM-AWEZNQCLSA-N 0 3 260.381 2.486 10 0 CEAEHN NCc1cc(Br)cn(Cc2ccccc2)c1=O ZINC000306474338 394516013 /nfs/dbraw/zinc/51/60/13/394516013.db2.gz WCESUWDVUNSYIT-UHFFFAOYSA-N 0 3 293.164 2.118 10 0 CEAEHN Cc1cnc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000246151619 394510124 /nfs/dbraw/zinc/51/01/24/394510124.db2.gz CDTGVDCZMCBCNL-MWLCHTKSSA-N 0 3 282.413 2.302 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2scnc2C)C1 ZINC000066701056 394578133 /nfs/dbraw/zinc/57/81/33/394578133.db2.gz KKJOFTACXCMTRN-GFCCVEGCSA-N 0 3 296.440 2.077 10 0 CEAEHN C[C@H]1CC(CCN2CCN3C(=O)NC[C@H]3C2)C[C@H](C)C1 ZINC000247269652 394528247 /nfs/dbraw/zinc/52/82/47/394528247.db2.gz JVYUKUAZSOHGQR-NFAWXSAZSA-N 0 3 279.428 2.158 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000048768878 394528636 /nfs/dbraw/zinc/52/86/36/394528636.db2.gz IOMXGJOYBQNXBW-CYBMUJFWSA-N 0 3 265.332 2.432 10 0 CEAEHN CCN1CCC[C@@H](NCc2cc(F)cc(OC)c2)C1 ZINC000312287518 394541711 /nfs/dbraw/zinc/54/17/11/394541711.db2.gz SHQSXIJHMNXQIU-CQSZACIVSA-N 0 3 266.360 2.408 10 0 CEAEHN CC(=O)CCN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248613101 394544497 /nfs/dbraw/zinc/54/44/97/394544497.db2.gz QWTTZZYHKAROIC-MELADBBJSA-N 0 3 296.411 2.201 10 0 CEAEHN CCCC[C@@H](CC)[NH2+]C1CC(N(CC)CC(=O)[O-])C1 ZINC000263530117 394629008 /nfs/dbraw/zinc/62/90/08/394629008.db2.gz WBKACBGUKJVONL-IYXRBSQSSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)C[C@@H](C)CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263570919 394629644 /nfs/dbraw/zinc/62/96/44/394629644.db2.gz ITTAKEQEZINWDX-CYBMUJFWSA-N 0 3 270.417 2.149 10 0 CEAEHN CC(C)C[C@@H](C)CN1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000263570919 394629646 /nfs/dbraw/zinc/62/96/46/394629646.db2.gz ITTAKEQEZINWDX-CYBMUJFWSA-N 0 3 270.417 2.149 10 0 CEAEHN CC(C)C[C@@H](C)C[NH+]1CCC(N(C)CC(=O)[O-])CC1 ZINC000263570919 394629649 /nfs/dbraw/zinc/62/96/49/394629649.db2.gz ITTAKEQEZINWDX-CYBMUJFWSA-N 0 3 270.417 2.149 10 0 CEAEHN CC[C@](C)(O)CN1CCN(CCC(C)(C)C)CC1 ZINC000123439344 394827934 /nfs/dbraw/zinc/82/79/34/394827934.db2.gz JUXIJOTYQRFXQB-HNNXBMFYSA-N 0 3 256.434 2.201 10 0 CEAEHN Cc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)cc1Cl ZINC000282327643 394916437 /nfs/dbraw/zinc/91/64/37/394916437.db2.gz LKPXAGSYYLIFEU-MFKMUULPSA-N 0 3 266.772 2.405 10 0 CEAEHN CC1CCN(CCN2CCO[C@@H](c3nccs3)C2)CC1 ZINC000153686740 395014534 /nfs/dbraw/zinc/01/45/34/395014534.db2.gz UMAXCIXVCIIKFB-CQSZACIVSA-N 0 3 295.452 2.248 10 0 CEAEHN O[C@@H]1CC[C@H]2CN(CCOc3ccccc3F)C[C@@H]2C1 ZINC000398929931 395240634 /nfs/dbraw/zinc/24/06/34/395240634.db2.gz OGAKJRHCMRTDSD-MELADBBJSA-N 0 3 279.355 2.297 10 0 CEAEHN CC(C)C[C@@H]1OCCC[C@@H]1NC[C@H](O)C(F)(F)F ZINC000186390057 395290283 /nfs/dbraw/zinc/29/02/83/395290283.db2.gz HSFSWBOZTPWEAB-DCAQKATOSA-N 0 3 269.307 2.093 10 0 CEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000195281481 395463963 /nfs/dbraw/zinc/46/39/63/395463963.db2.gz YUQYLHFPEURLKN-ZDUSSCGKSA-N 0 3 287.329 2.398 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCc2ccccc2)C1 ZINC000194629911 395444597 /nfs/dbraw/zinc/44/45/97/395444597.db2.gz FKFFXNUUPXXYPS-HNNXBMFYSA-N 0 3 260.381 2.220 10 0 CEAEHN Cc1ccc([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCCN24)s1 ZINC000012192854 400105395 /nfs/dbraw/zinc/10/53/95/400105395.db2.gz GBIPVNXTKHFDKE-HUBLWGQQSA-N 0 3 276.405 2.424 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000037750032 400119561 /nfs/dbraw/zinc/11/95/61/400119561.db2.gz KWFAWAUBKTXZJD-NXEZZACHSA-N 0 3 266.307 2.161 10 0 CEAEHN CCO[C@@H]1C[C@H](N(C)CC(OC)OC)C12CCCC2 ZINC000136795790 286332108 /nfs/dbraw/zinc/33/21/08/286332108.db2.gz XGSMWAMLSAGCIQ-QWHCGFSZSA-N 0 3 271.401 2.275 10 0 CEAEHN Cc1nc(CC2CC2)sc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000191174311 153161068 /nfs/dbraw/zinc/16/10/68/153161068.db2.gz ODGQINATMSYZMI-GFCCVEGCSA-N 0 3 293.436 2.180 10 0 CEAEHN CCc1nnc(CN(CC(C)C)CC(C)C)n1C ZINC000195070452 153277270 /nfs/dbraw/zinc/27/72/70/153277270.db2.gz OXFSMRSWCFLNSB-UHFFFAOYSA-N 0 3 252.406 2.492 10 0 CEAEHN O=C(CCC(=O)N1CCN2CCC[C@@H]2C1)c1cccs1 ZINC000195313739 153281887 /nfs/dbraw/zinc/28/18/87/153281887.db2.gz WUIFQGOHWXHSDB-GFCCVEGCSA-N 0 3 292.404 2.018 10 0 CEAEHN O=C(c1cc(-c2ccccc2)no1)N1CCN2CCC[C@@H]2C1 ZINC000195331410 153286803 /nfs/dbraw/zinc/28/68/03/153286803.db2.gz VGOXFYYWVBVSNW-CQSZACIVSA-N 0 3 297.358 2.262 10 0 CEAEHN CC(C)CCSCC(=O)N1CCN2CCC[C@H]2C1 ZINC000195337814 153289112 /nfs/dbraw/zinc/28/91/12/153289112.db2.gz ICIWYNUJEAZSCX-ZDUSSCGKSA-N 0 3 270.442 2.072 10 0 CEAEHN CCO[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000195338273 153289217 /nfs/dbraw/zinc/28/92/17/153289217.db2.gz YQMBLJZLTHWPME-HZPDHXFCSA-N 0 3 288.391 2.071 10 0 CEAEHN CCN(CCNc1nc(C(=O)OC)c(C)s1)C1CC1 ZINC000220489222 153306308 /nfs/dbraw/zinc/30/63/08/153306308.db2.gz GILDCRURFGSWOC-UHFFFAOYSA-N 0 3 283.397 2.134 10 0 CEAEHN Cc1cnn(CCNCc2cn(C)nc2C(C)(C)C)c1 ZINC000219879494 153308459 /nfs/dbraw/zinc/30/84/59/153308459.db2.gz FKEGLPXSRJFPIO-UHFFFAOYSA-N 0 3 275.400 2.012 10 0 CEAEHN CCN1CCC[C@@H](NCc2cnn(C(C)C)c2)C1 ZINC000226242221 153330539 /nfs/dbraw/zinc/33/05/39/153330539.db2.gz DARWSQZXTYWIKQ-CQSZACIVSA-N 0 3 250.390 2.038 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc3ccccc3c2)n1 ZINC000263164878 154026582 /nfs/dbraw/zinc/02/65/82/154026582.db2.gz FDHWSERIODMTKY-OAHLLOKOSA-N 0 3 294.358 2.466 10 0 CEAEHN Cc1cccc([C@H](C)c2nc([C@H]3CNCCN3C)no2)c1 ZINC000263223651 154039663 /nfs/dbraw/zinc/03/96/63/154039663.db2.gz MKRWEMJEDGURKA-GXTWGEPZSA-N 0 3 286.379 2.106 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000263491773 154102963 /nfs/dbraw/zinc/10/29/63/154102963.db2.gz ISTCJILFTLEFJD-QVOMUQBLSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000263491773 154102974 /nfs/dbraw/zinc/10/29/74/154102974.db2.gz ISTCJILFTLEFJD-QVOMUQBLSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000263491773 154102980 /nfs/dbraw/zinc/10/29/80/154102980.db2.gz ISTCJILFTLEFJD-QVOMUQBLSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[C@H]1CCC[C@H]([NH2+]C2CC(N(CC)CC(=O)[O-])C2)C1 ZINC000263494133 154103412 /nfs/dbraw/zinc/10/34/12/154103412.db2.gz JHMKPXWJBFCVBU-HESLUPGFSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@H]1CCC[C@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)C1 ZINC000263494133 154103417 /nfs/dbraw/zinc/10/34/17/154103417.db2.gz JHMKPXWJBFCVBU-HESLUPGFSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@H]1CCC[C@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)C1 ZINC000263494133 154103423 /nfs/dbraw/zinc/10/34/23/154103423.db2.gz JHMKPXWJBFCVBU-HESLUPGFSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H]1CCC[C@@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523466 154109306 /nfs/dbraw/zinc/10/93/06/154109306.db2.gz SERAHGUATYDTCD-WHPGWMBPSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CCC[C@@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523466 154109311 /nfs/dbraw/zinc/10/93/11/154109311.db2.gz SERAHGUATYDTCD-WHPGWMBPSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CCC[C@@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523466 154109316 /nfs/dbraw/zinc/10/93/16/154109316.db2.gz SERAHGUATYDTCD-WHPGWMBPSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)Nc1nccnc1N(C)C ZINC000302183998 154188007 /nfs/dbraw/zinc/18/80/07/154188007.db2.gz GJPZTZKOJATTOS-AWEZNQCLSA-N 0 3 299.422 2.475 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CC1=CCCOC1 ZINC000375850769 157151623 /nfs/dbraw/zinc/15/16/23/157151623.db2.gz SOVGTBCGNKGXBQ-CVEARBPZSA-N 0 3 264.413 2.282 10 0 CEAEHN Cc1nccn1CCCCN1[C@@H](C)COC[C@@H]1C ZINC000162014253 162331471 /nfs/dbraw/zinc/33/14/71/162331471.db2.gz KYGSDIHMBUEUIG-STQMWFEESA-N 0 3 251.374 2.081 10 0 CEAEHN O=C(Cc1ccccc1)NCc1ccc2c(c1)CNC2 ZINC000134511589 165030440 /nfs/dbraw/zinc/03/04/40/165030440.db2.gz UZUGODISVZFROV-UHFFFAOYSA-N 0 3 266.344 2.149 10 0 CEAEHN C(=C/c1ccccc1)\CN1CC[C@H](N2CCOCC2)C1 ZINC000173951266 165090659 /nfs/dbraw/zinc/09/06/59/165090659.db2.gz GQFVCXSLEKMQFF-PFWMLDTASA-N 0 3 272.392 2.106 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC000176995496 165181871 /nfs/dbraw/zinc/18/18/71/165181871.db2.gz UZLYRMJKIVDIDI-GFCCVEGCSA-N 0 3 250.342 2.144 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC(C1CC1)C1CC1 ZINC000177342116 165195953 /nfs/dbraw/zinc/19/59/53/165195953.db2.gz VKYSIAINJQWSQM-CQSZACIVSA-N 0 3 279.428 2.301 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC[C@@H]1CCCCO1 ZINC000181423120 165341685 /nfs/dbraw/zinc/34/16/85/165341685.db2.gz ZAIQLYYFSRMABH-CABCVRRESA-N 0 3 299.459 2.221 10 0 CEAEHN CC(C)(C)OC(=O)CCCN1CCC[C@H](n2cncn2)C1 ZINC000181853203 165356342 /nfs/dbraw/zinc/35/63/42/165356342.db2.gz FAWXGMXKYGRWMD-ZDUSSCGKSA-N 0 3 294.399 2.037 10 0 CEAEHN CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CC)C2)CCO1 ZINC000183357998 165394610 /nfs/dbraw/zinc/39/46/10/165394610.db2.gz CIQNQRDAODQZDP-RRFJBIMHSA-N 0 3 282.428 2.182 10 0 CEAEHN O=C(Nc1cc([O-])c2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000006118038 170177149 /nfs/dbraw/zinc/17/71/49/170177149.db2.gz KMQNGXDZQAILQD-CYBMUJFWSA-N 0 3 256.305 2.236 10 0 CEAEHN CC[C@@H](N)CS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000011896835 170456884 /nfs/dbraw/zinc/45/68/84/170456884.db2.gz HUKCNSYXLSJLCK-GFCCVEGCSA-N 0 3 269.410 2.495 10 0 CEAEHN COc1cc(NC(=O)[C@@H]2CCC[C@@H](C)N2)cc(OC)c1 ZINC000019426813 170795571 /nfs/dbraw/zinc/79/55/71/170795571.db2.gz ZFMWINLKCLREAA-YGRLFVJLSA-N 0 3 278.352 2.173 10 0 CEAEHN CCNC(=O)[C@@H](C)NC[C@@H](c1ccccc1)N(CC)CC ZINC000020310118 171144072 /nfs/dbraw/zinc/14/40/72/171144072.db2.gz NJHNQXTWYIWHMO-ZBFHGGJFSA-N 0 3 291.439 2.184 10 0 CEAEHN NC(=O)COc1ccc(Cl)cc1CNC1CCCC1 ZINC000020873309 171277484 /nfs/dbraw/zinc/27/74/84/171277484.db2.gz HQSCHBWYALXVLH-UHFFFAOYSA-N 0 3 282.771 2.236 10 0 CEAEHN CCCCCNS(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000022146911 171356804 /nfs/dbraw/zinc/35/68/04/171356804.db2.gz SXTFIKJYMLNVQH-LLVKDONJSA-N 0 3 270.398 2.175 10 0 CEAEHN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccccc2CN)n1 ZINC000022166559 171366153 /nfs/dbraw/zinc/36/61/53/171366153.db2.gz UIJHJMXYXBEALC-LBPRGKRZSA-N 0 3 272.352 2.158 10 0 CEAEHN COc1ccc([C@H](CN)N(C)C(C)C)c(OC)c1OC ZINC000022214783 171375207 /nfs/dbraw/zinc/37/52/07/171375207.db2.gz CRDYTJOEWKBROA-LBPRGKRZSA-N 0 3 282.384 2.052 10 0 CEAEHN C[C@H](NCC(=O)Nc1c(F)cccc1F)C1CC1 ZINC000035174494 172027797 /nfs/dbraw/zinc/02/77/97/172027797.db2.gz LWDMMYJXKVHMBJ-QMMMGPOBSA-N 0 3 254.280 2.291 10 0 CEAEHN CCN(C(C)C)S(=O)(=O)c1cccc([C@@H](C)NC)c1 ZINC000035633746 172316856 /nfs/dbraw/zinc/31/68/56/172316856.db2.gz FYOWXEGKFRSCEK-GFCCVEGCSA-N 0 3 284.425 2.386 10 0 CEAEHN CNCc1cc(Cl)cc(Cl)c1OC[C@H](C)C(N)=O ZINC000035661980 172340031 /nfs/dbraw/zinc/34/00/31/172340031.db2.gz JOYVRHZJCFZLGM-ZETCQYMHSA-N 0 3 291.178 2.213 10 0 CEAEHN C[C@@H](NCC(=O)Nc1ccccc1Cl)[C@H]1CCCO1 ZINC000035735814 172388361 /nfs/dbraw/zinc/38/83/61/172388361.db2.gz XRDGCHJRQDICNX-ZWNOBZJWSA-N 0 3 282.771 2.436 10 0 CEAEHN CCCN[C@@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760604 172398584 /nfs/dbraw/zinc/39/85/84/172398584.db2.gz AWKIWZPLHYTMNA-ZYHUDNBSSA-N 0 3 253.367 2.293 10 0 CEAEHN CN([C@@H](CN)c1ccc(F)c(F)c1)[C@H]1CCSC1 ZINC000037174469 173008987 /nfs/dbraw/zinc/00/89/87/173008987.db2.gz VAZFEXPHGNVKFB-GWCFXTLKSA-N 0 3 272.364 2.402 10 0 CEAEHN CC(C)c1nn(C)cc1CN[C@@H](C)[C@H]1CCCO1 ZINC000037243016 173058500 /nfs/dbraw/zinc/05/85/00/173058500.db2.gz BYDRHDLIPZNENJ-WCQYABFASA-N 0 3 251.374 2.201 10 0 CEAEHN O=S1(=O)CC[C@@H](NCC2CCC2)c2ccccc21 ZINC000037253608 173064706 /nfs/dbraw/zinc/06/47/06/173064706.db2.gz DZQNTNZWJZRORQ-CYBMUJFWSA-N 0 3 265.378 2.295 10 0 CEAEHN Cc1ncsc1[C@@H](C)N[C@@H](C)Cn1cccn1 ZINC000037320050 173120170 /nfs/dbraw/zinc/12/01/70/173120170.db2.gz WVEAFRLQYJVVIZ-GXSJLCMTSA-N 0 3 250.371 2.387 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc3ccccc3n2C2CC2)C1 ZINC000037323692 173123817 /nfs/dbraw/zinc/12/38/17/173123817.db2.gz YWKGLTGAOPARSE-AAEUAGOBSA-N 0 3 257.337 2.421 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1cc(C)ccc1OC ZINC000037386313 173169183 /nfs/dbraw/zinc/16/91/83/173169183.db2.gz UGKFRRKSAZSORT-LLVKDONJSA-N 0 3 250.342 2.330 10 0 CEAEHN O=C(CNC1CCCC1)Nc1cc(F)ccc1F ZINC000037386896 173170862 /nfs/dbraw/zinc/17/08/62/173170862.db2.gz SLVGJIYTAZEQPW-UHFFFAOYSA-N 0 3 254.280 2.436 10 0 CEAEHN CC[C@@](NC(C)C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037446458 173213241 /nfs/dbraw/zinc/21/32/41/173213241.db2.gz URTXGNCYBKOEFM-ZDUSSCGKSA-N 0 3 254.761 2.429 10 0 CEAEHN CCCN[C@@](CC)(C(N)=O)c1ccc(Cl)cc1 ZINC000037513788 173244786 /nfs/dbraw/zinc/24/47/86/173244786.db2.gz AEBXOAVJEPIDJA-CYBMUJFWSA-N 0 3 254.761 2.430 10 0 CEAEHN CCCN[C@@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037513780 173244848 /nfs/dbraw/zinc/24/48/48/173244848.db2.gz JISLQJQJXATDJN-GFCCVEGCSA-N 0 3 274.286 2.406 10 0 CEAEHN CCNC(=O)c1cc(NC[C@@H](C)N2CCCCC2)ccn1 ZINC000038029264 174019885 /nfs/dbraw/zinc/01/98/85/174019885.db2.gz PIFXJYNROOPDJF-CYBMUJFWSA-N 0 3 290.411 2.118 10 0 CEAEHN CC[C@@H](C)N[C@@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000038065642 174076691 /nfs/dbraw/zinc/07/66/91/174076691.db2.gz RXMDODWMIRMXEH-NOZJJQNGSA-N 0 3 254.761 2.429 10 0 CEAEHN C[C@H](CN[C@@H](c1cccs1)c1nccn1C)N(C)C ZINC000038087560 174099909 /nfs/dbraw/zinc/09/99/09/174099909.db2.gz YNFYFWSBPMHXCD-YPMHNXCESA-N 0 3 278.425 2.111 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@@H](O)COC(C)(C)C)o1 ZINC000038097792 174112844 /nfs/dbraw/zinc/11/28/44/174112844.db2.gz GXXUMGCJZHPCHY-NWDGAFQWSA-N 0 3 255.358 2.415 10 0 CEAEHN COc1ccc(-c2nc(CN)cs2)c(OC)c1 ZINC000040419379 174257109 /nfs/dbraw/zinc/25/71/09/174257109.db2.gz FFIJAZLZNXCRJS-UHFFFAOYSA-N 0 3 250.323 2.286 10 0 CEAEHN COc1ccc([C@H](C)NC(=O)C2(N)CCCC2)cc1OC ZINC000040491289 174292628 /nfs/dbraw/zinc/29/26/28/174292628.db2.gz JZONZTQGIOAOLK-NSHDSACASA-N 0 3 292.379 2.153 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)[C@@H]2CCCCN2)s1 ZINC000040519023 174308762 /nfs/dbraw/zinc/30/87/62/174308762.db2.gz DVLIPFQVCCXSEA-ONGXEEELSA-N 0 3 267.398 2.079 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)NCc1cc2c(s1)CCC2 ZINC000040627979 174356774 /nfs/dbraw/zinc/35/67/74/174356774.db2.gz RIAQNDQVCXIGML-GFCCVEGCSA-N 0 3 266.410 2.226 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3ccc(F)c(F)c3)c[nH]2)C1 ZINC000040637849 174362043 /nfs/dbraw/zinc/36/20/43/174362043.db2.gz CFBGBNZTGJBCMY-SKDRFNHKSA-N 0 3 279.290 2.404 10 0 CEAEHN C[C@H](NCCc1nccn1C)c1nc2ccccc2n1C ZINC000040638811 174363258 /nfs/dbraw/zinc/36/32/58/174363258.db2.gz VZLLUXKAVXASFE-LBPRGKRZSA-N 0 3 283.379 2.200 10 0 CEAEHN COc1ccc2c(c1)[C@@H](NCCc1nccn1C)CCO2 ZINC000040639313 174363816 /nfs/dbraw/zinc/36/38/16/174363816.db2.gz UGTDWKKEHKZEAQ-AWEZNQCLSA-N 0 3 287.363 2.085 10 0 CEAEHN CC(C)CN[C@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666481 174366457 /nfs/dbraw/zinc/36/64/57/174366457.db2.gz ZCRKNOOMEXCVDT-AWEZNQCLSA-N 0 3 264.369 2.246 10 0 CEAEHN c1ccc(CCN2CC[C@@H](NCc3ccncc3)C2)cc1 ZINC000040671260 174368948 /nfs/dbraw/zinc/36/89/48/174368948.db2.gz MQYIAQMJMONBCG-GOSISDBHSA-N 0 3 281.403 2.488 10 0 CEAEHN COc1ccc2cc(CNC(C)(C)C(N)=O)ccc2c1 ZINC000040673905 174372312 /nfs/dbraw/zinc/37/23/12/174372312.db2.gz SNVFOGPWXJGORL-UHFFFAOYSA-N 0 3 272.348 2.202 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2ccc(C)o2)CC1 ZINC000040689117 174375705 /nfs/dbraw/zinc/37/57/05/174375705.db2.gz CWCBNAINTIQPOL-ZDUSSCGKSA-N 0 3 252.358 2.089 10 0 CEAEHN C[C@@H]1CCN([C@@H](CN)c2cnn(-c3ccccc3)c2)C1 ZINC000040717581 174384831 /nfs/dbraw/zinc/38/48/31/174384831.db2.gz NIHISDLDIDBVTH-CJNGLKHVSA-N 0 3 270.380 2.214 10 0 CEAEHN COc1ccc([C@H](CN)N2CC[C@@H](C)C2)c(OC)c1OC ZINC000040717509 174384840 /nfs/dbraw/zinc/38/48/40/174384840.db2.gz HFQKQIPUFISBHQ-YPMHNXCESA-N 0 3 294.395 2.054 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccc3ccccc3n2)nn1 ZINC000070118848 414764981 /nfs/dbraw/zinc/76/49/81/414764981.db2.gz CCVNHKNGMMQADA-UHFFFAOYSA-N 0 3 267.336 2.068 10 0 CEAEHN Cc1cscc1C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662981799 414817073 /nfs/dbraw/zinc/81/70/73/414817073.db2.gz QZSNHJRXBQOONP-QMMMGPOBSA-N 0 3 266.288 2.018 10 0 CEAEHN CSc1cccc(CN[C@H]2CCC(=O)N[C@H]2C)c1 ZINC000660480377 414841406 /nfs/dbraw/zinc/84/14/06/414841406.db2.gz UCQZANDADWTRTM-GWCFXTLKSA-N 0 3 264.394 2.165 10 0 CEAEHN CC[C@H](C)N(CCOC)c1c(CNC2CC2)c(C)nn1C ZINC000042588679 174810378 /nfs/dbraw/zinc/81/03/78/174810378.db2.gz CUJSQTWQKSKEKG-LBPRGKRZSA-N 0 3 294.443 2.232 10 0 CEAEHN OCC1CC(NCc2cc(Br)cs2)C1 ZINC000657808213 415087962 /nfs/dbraw/zinc/08/79/62/415087962.db2.gz COMVSDSOIAKIOV-UHFFFAOYSA-N 0 3 276.199 2.371 10 0 CEAEHN CCN[C@@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300985 175001581 /nfs/dbraw/zinc/00/15/81/175001581.db2.gz FWJJNIGWFWWCAS-ZWNOBZJWSA-N 0 3 287.812 2.425 10 0 CEAEHN COc1ccc(CO[C@@H](CN)c2ccccn2)cc1 ZINC000043343149 175015648 /nfs/dbraw/zinc/01/56/48/175015648.db2.gz GTDFJFHCIQGQIM-HNNXBMFYSA-N 0 3 258.321 2.307 10 0 CEAEHN CC[C@H](N)[C@H](c1ccc(C)o1)N1CCOCC1(C)C ZINC000043364750 175025538 /nfs/dbraw/zinc/02/55/38/175025538.db2.gz IPKACPBMRDEUIQ-GXTWGEPZSA-N 0 3 266.385 2.477 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)o1)N(CC(N)=O)C1CCCC1 ZINC000043365103 175026933 /nfs/dbraw/zinc/02/69/33/175026933.db2.gz FIDMSUOCAGKDDX-CJNGLKHVSA-N 0 3 293.411 2.096 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2cc(C)cc(C)c2)CCO1 ZINC000043394116 175035076 /nfs/dbraw/zinc/03/50/76/175035076.db2.gz BNMFNVZUUILHPZ-CVEARBPZSA-N 0 3 262.397 2.414 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811558 175111284 /nfs/dbraw/zinc/11/12/84/175111284.db2.gz HJUBLTTUBHVXSX-YXPYIKCWSA-N 0 3 290.407 2.207 10 0 CEAEHN CCN[C@@H](CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000043823298 175114334 /nfs/dbraw/zinc/11/43/34/175114334.db2.gz VHEDWHNRKXKNLY-AWEZNQCLSA-N 0 3 278.396 2.449 10 0 CEAEHN CC[C@@H]1CCc2nc(N3CCNCC3)sc2C1 ZINC000044494104 175181411 /nfs/dbraw/zinc/18/14/11/175181411.db2.gz DMFWRTHCZMDUBB-SNVBAGLBSA-N 0 3 251.399 2.068 10 0 CEAEHN CCCN(C(=O)[C@@H](CN)Cc1ccccc1)C1CC1 ZINC000044800501 175255577 /nfs/dbraw/zinc/25/55/77/175255577.db2.gz PZUZULNRBRNBSD-CQSZACIVSA-N 0 3 260.381 2.205 10 0 CEAEHN C[C@H](C1CC1)N(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044801954 175255616 /nfs/dbraw/zinc/25/56/16/175255616.db2.gz LNFARKGXALDPKJ-DOMZBBRYSA-N 0 3 260.381 2.061 10 0 CEAEHN CCC1CCC(CNS(=O)(=O)CCNC(C)C)CC1 ZINC000045012265 175289962 /nfs/dbraw/zinc/28/99/62/175289962.db2.gz FRKUWMPKGNQHCX-UHFFFAOYSA-N 0 3 290.473 2.120 10 0 CEAEHN CCCNC(=O)CCN[C@@H](C)c1scnc1C ZINC000045072906 175302502 /nfs/dbraw/zinc/30/25/02/175302502.db2.gz HHRZHNVNUSLVMI-VIFPVBQESA-N 0 3 255.387 2.018 10 0 CEAEHN CCCN(CC(N)=S)[C@H](C)C(=O)Nc1ccccc1 ZINC000045093535 175306951 /nfs/dbraw/zinc/30/69/51/175306951.db2.gz DLIAUPBOVANNMA-LLVKDONJSA-N 0 3 279.409 2.012 10 0 CEAEHN C[C@@H](CNCc1nc2cc(Cl)ccc2c(=O)[nH]1)N(C)C ZINC000045107658 175308047 /nfs/dbraw/zinc/30/80/47/175308047.db2.gz WBFMJSPBPAGGQQ-VIFPVBQESA-N 0 3 294.786 2.029 10 0 CEAEHN CC[C@H](N)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138167 175314455 /nfs/dbraw/zinc/31/44/55/175314455.db2.gz BNBPGHXBRXHKGO-QWHCGFSZSA-N 0 3 282.409 2.173 10 0 CEAEHN COc1ccc(Cl)cc1CN(C)[C@H](C)C(N)=S ZINC000045147025 175317343 /nfs/dbraw/zinc/31/73/43/175317343.db2.gz ONOSMNRKCXSHIB-MRVPVSSYSA-N 0 3 272.801 2.455 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCn2cccn2)c1C ZINC000045172292 175321811 /nfs/dbraw/zinc/32/18/11/175321811.db2.gz WMMJCCOLUGYRGQ-LLVKDONJSA-N 0 3 261.373 2.067 10 0 CEAEHN C[C@](CC[NH+]1CCCCCCC1)(NC1CC1)C(=O)[O-] ZINC000045223733 175331297 /nfs/dbraw/zinc/33/12/97/175331297.db2.gz RBHDJWPDSZKCSC-OAHLLOKOSA-N 0 3 268.401 2.238 10 0 CEAEHN CN[C@@](CN1CCCCCC1)(C(=O)OC)c1ccccc1 ZINC000045228680 175333925 /nfs/dbraw/zinc/33/39/25/175333925.db2.gz UZIBNHANKOYSPS-QGZVFWFLSA-N 0 3 290.407 2.150 10 0 CEAEHN CCCN(CCC)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045230222 175334305 /nfs/dbraw/zinc/33/43/05/175334305.db2.gz AIXRTOWLROOTKQ-QGZVFWFLSA-N 0 3 292.423 2.396 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1[C@@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231839 175335430 /nfs/dbraw/zinc/33/54/30/175335430.db2.gz SEMORHGQILERNZ-HEHGZKQESA-N 0 3 282.428 2.323 10 0 CEAEHN COC(=O)[C@@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)NC1CC1 ZINC000045272107 175343534 /nfs/dbraw/zinc/34/35/34/175343534.db2.gz USSTUCDUULCDNY-JJRVBVJISA-N 0 3 294.439 2.182 10 0 CEAEHN COC(=O)[C@@](C)(CN(C)[C@@H](C)C(C)(C)C)NC(C)C ZINC000045274739 175345078 /nfs/dbraw/zinc/34/50/78/175345078.db2.gz YLKGVRVBGRYAMP-SWLSCSKDSA-N 0 3 272.433 2.283 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCC(CC)CC1)NC1CC1 ZINC000045281404 175351687 /nfs/dbraw/zinc/35/16/87/175351687.db2.gz ZLARQZNGBHHJEG-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCN[C@@H](CN1CCCCCCC1)C(=O)OCC ZINC000045371269 175364209 /nfs/dbraw/zinc/36/42/09/175364209.db2.gz RWHONPDEGPPXDF-AWEZNQCLSA-N 0 3 270.417 2.184 10 0 CEAEHN CCCCN(CCCC)C[C@@H](NCC)C(=O)OCC ZINC000045380513 175369100 /nfs/dbraw/zinc/36/91/00/175369100.db2.gz UDGMIAPTZDKAFO-CQSZACIVSA-N 0 3 272.433 2.430 10 0 CEAEHN CCOC(=O)[C@H](CN(CC)[C@@H](C)CC)NC(C)C ZINC000045385154 175372370 /nfs/dbraw/zinc/37/23/70/175372370.db2.gz LNXWZMCHYOSLHQ-STQMWFEESA-N 0 3 258.406 2.037 10 0 CEAEHN CCOC(=O)[C@H](CN(C)C(CC)CC)NC(C)C ZINC000045391315 175374942 /nfs/dbraw/zinc/37/49/42/175374942.db2.gz OZRHMIRWKLSPQU-ZDUSSCGKSA-N 0 3 258.406 2.037 10 0 CEAEHN COc1ccc(Cl)cc1CNCCc1c[nH]cn1 ZINC000045946346 175387778 /nfs/dbraw/zinc/38/77/78/175387778.db2.gz RFUVRWNMVIDIQR-UHFFFAOYSA-N 0 3 265.744 2.404 10 0 CEAEHN COc1cc([C@H](C)NC2CC(CO)C2)ccc1F ZINC000658357196 415335219 /nfs/dbraw/zinc/33/52/19/415335219.db2.gz SVBQFCUJRLGJBS-BMQDGWLCSA-N 0 3 253.317 2.256 10 0 CEAEHN CN[C@@H](COc1ccccc1)c1c(C)ccnc1N ZINC000070403378 175911753 /nfs/dbraw/zinc/91/17/53/175911753.db2.gz ADNZSLRHRMIVNN-ZDUSSCGKSA-N 0 3 257.337 2.312 10 0 CEAEHN CNCc1ccnn1Cc1cccc(Br)c1 ZINC000070708813 176002402 /nfs/dbraw/zinc/00/24/02/176002402.db2.gz MMKGJGIAUWBTPX-UHFFFAOYSA-N 0 3 280.169 2.413 10 0 CEAEHN CCc1ccc([C@H]2[C@@H](N)CCC(=O)N2C2CC2)s1 ZINC000070987208 176018651 /nfs/dbraw/zinc/01/86/51/176018651.db2.gz JNHBMTKHOWVMHI-SMDDNHRTSA-N 0 3 264.394 2.464 10 0 CEAEHN Cc1ccc(CN2CCC[C@H](NC3CC3)C2=O)cc1 ZINC000071033088 176023561 /nfs/dbraw/zinc/02/35/61/176023561.db2.gz QKOJMJOEBOTUDE-HNNXBMFYSA-N 0 3 258.365 2.238 10 0 CEAEHN CCN[C@H]1CCN(c2ccc(Cl)cc2C)C1=O ZINC000071038583 176027110 /nfs/dbraw/zinc/02/71/10/176027110.db2.gz UDXWGIKWUNFIQJ-NSHDSACASA-N 0 3 252.745 2.363 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1Cc1cc(F)ccc1F ZINC000071043750 176029634 /nfs/dbraw/zinc/02/96/34/176029634.db2.gz QTFTWMKLHUNMHX-AWEZNQCLSA-N 0 3 280.318 2.208 10 0 CEAEHN CC[C@H]1CCC[C@](NCCN(CC)CC)(C(=O)OC)C1 ZINC000071125749 176035953 /nfs/dbraw/zinc/03/59/53/176035953.db2.gz OVVOSZDPKQOGQI-GOEBONIOSA-N 0 3 284.444 2.430 10 0 CEAEHN Cc1noc(C)c1CN[C@]1(CO)CCC[C@H](C)C1 ZINC000071137723 176036404 /nfs/dbraw/zinc/03/64/04/176036404.db2.gz GFIWVNPTHAIZOL-IINYFYTJSA-N 0 3 252.358 2.322 10 0 CEAEHN COc1nc(N(C)C)sc1CN[C@@H]1CCC[C@H]1C ZINC000071206400 176079942 /nfs/dbraw/zinc/07/99/42/176079942.db2.gz ILBFCSMBMFZPOG-NXEZZACHSA-N 0 3 269.414 2.496 10 0 CEAEHN C[C@@H](Cn1ccnc1)N1Cc2ccc(F)cc2C1=N ZINC000071268928 176102616 /nfs/dbraw/zinc/10/26/16/176102616.db2.gz QPFYONOXVLEXJW-JTQLQIEISA-N 0 3 258.300 2.252 10 0 CEAEHN CCOc1cc2c(cc1CNC[C@H](O)C1CC1)O[C@@H](C)C2 ZINC000071277918 176107705 /nfs/dbraw/zinc/10/77/05/176107705.db2.gz NSYSJTIAMFZRPP-NHYWBVRUSA-N 0 3 291.391 2.269 10 0 CEAEHN CC(C)Cc1ccc([C@H](O)CNCc2ccnn2C)cc1 ZINC000071334256 176126678 /nfs/dbraw/zinc/12/66/78/176126678.db2.gz HOLYTRAEVFVRSU-QGZVFWFLSA-N 0 3 287.407 2.442 10 0 CEAEHN CCN(CCn1ccc(N)n1)Cc1ccccc1C ZINC000071377931 176142876 /nfs/dbraw/zinc/14/28/76/176142876.db2.gz WGQDCAIAEWTNGH-UHFFFAOYSA-N 0 3 258.369 2.296 10 0 CEAEHN Nc1ccn(CCN2CCC[C@H]2c2ccccc2)n1 ZINC000071377913 176142981 /nfs/dbraw/zinc/14/29/81/176142981.db2.gz YXQKNYWNWQGQGI-AWEZNQCLSA-N 0 3 256.353 2.302 10 0 CEAEHN CCNCc1cc(C)ccc1OCCC(=O)NC(C)C ZINC000071403894 176155322 /nfs/dbraw/zinc/15/53/22/176155322.db2.gz ZJERWANUNSJDBL-UHFFFAOYSA-N 0 3 278.396 2.398 10 0 CEAEHN CCOC(=O)COc1ccc(C)cc1CNC1CC1 ZINC000071406966 176156109 /nfs/dbraw/zinc/15/61/09/176156109.db2.gz QKJJSIRHINLVIV-UHFFFAOYSA-N 0 3 263.337 2.189 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccc(F)c(F)c1 ZINC000071611710 176231821 /nfs/dbraw/zinc/23/18/21/176231821.db2.gz RXYLRTQMMIQLIB-LLVKDONJSA-N 0 3 272.295 2.489 10 0 CEAEHN C[C@@]1(C(=O)N2CCC[C@@H](CCF)C2)CCCCN1 ZINC000662689751 415930605 /nfs/dbraw/zinc/93/06/05/415930605.db2.gz XGIAHTXKNFJWAL-JSGCOSHPSA-N 0 3 256.365 2.117 10 0 CEAEHN COc1cc([C@H](CN)N(C)C(C)C)c(OC)cc1C ZINC000076375193 177010723 /nfs/dbraw/zinc/01/07/23/177010723.db2.gz GPIZKHKKSJZHRV-ZDUSSCGKSA-N 0 3 266.385 2.352 10 0 CEAEHN CCNCc1cn2cc(Br)ccc2n1 ZINC000076790283 177096141 /nfs/dbraw/zinc/09/61/41/177096141.db2.gz DFQWFWYHWZWHGA-UHFFFAOYSA-N 0 3 254.131 2.206 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CC=CCC1 ZINC000077570012 177281658 /nfs/dbraw/zinc/28/16/58/177281658.db2.gz BXPZSWKBXMJLAP-UONOGXRCSA-N 0 3 267.417 2.371 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@H](C)N[C@@H](CCC)COC ZINC000079744729 177549576 /nfs/dbraw/zinc/54/95/76/177549576.db2.gz IQRYRSYBRMJYQS-AVGNSLFASA-N 0 3 258.406 2.084 10 0 CEAEHN Cc1cccc(C(=O)Nc2ccc(OCC[NH3+])cc2)c1[O-] ZINC000036987850 270225429 /nfs/dbraw/zinc/22/54/29/270225429.db2.gz DGOFBSIMGZLSIZ-UHFFFAOYSA-N 0 3 286.331 2.290 10 0 CEAEHN CC/C=C/CCN1CCN(CCOC)[C@H](CC)C1 ZINC000184520612 270243621 /nfs/dbraw/zinc/24/36/21/270243621.db2.gz IOEVOKZQGFTGKO-LQYUOIDQSA-N 0 3 254.418 2.385 10 0 CEAEHN Cc1c([C@H](C)NC[C@H](C)N2CCOCC2)cnn1C(C)C ZINC000191145200 270272010 /nfs/dbraw/zinc/27/20/10/270272010.db2.gz LKBRKFKJPJQWSE-KBPBESRZSA-N 0 3 294.443 2.144 10 0 CEAEHN CC(C)C[C@@H]1OCCC[C@H]1NC[C@H](O)C(F)(F)F ZINC000186390024 275592427 /nfs/dbraw/zinc/59/24/27/275592427.db2.gz HSFSWBOZTPWEAB-VWYCJHECSA-N 0 3 269.307 2.093 10 0 CEAEHN CC(C)OCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000185268769 275659741 /nfs/dbraw/zinc/65/97/41/275659741.db2.gz NOOWWPZDRZIWPH-OAHLLOKOSA-N 0 3 293.411 2.014 10 0 CEAEHN CC(C)[C@H](N)C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262584178 275702434 /nfs/dbraw/zinc/70/24/34/275702434.db2.gz RSCGVVJSJTWRSR-AWEZNQCLSA-N 0 3 260.381 2.290 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@@H](C2CC2)NC[C@@H]1C1CC1 ZINC000071372361 275827112 /nfs/dbraw/zinc/82/71/12/275827112.db2.gz LJTPAFSSEODCRE-QWHCGFSZSA-N 0 3 266.385 2.384 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1NCCc2ccccc21 ZINC000083693725 275828868 /nfs/dbraw/zinc/82/88/68/275828868.db2.gz QVYKNCRSCRVYBA-CYBMUJFWSA-N 0 3 262.353 2.398 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000037413644 276270986 /nfs/dbraw/zinc/27/09/86/276270986.db2.gz FPRCDSAQQAZYNJ-SNVBAGLBSA-N 0 3 264.325 2.260 10 0 CEAEHN CN(C)C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000177713580 276766459 /nfs/dbraw/zinc/76/64/59/276766459.db2.gz IUTUQVPCFWNIOK-GDBMZVCRSA-N 0 3 278.371 2.075 10 0 CEAEHN CC(C)CC1(CNC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000127562346 277348611 /nfs/dbraw/zinc/34/86/11/277348611.db2.gz SZIJHANGGHFCJW-ZDUSSCGKSA-N 0 3 267.417 2.158 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000282244840 278046740 /nfs/dbraw/zinc/04/67/40/278046740.db2.gz GEXAOCFNUIVURV-JOYOIKCWSA-N 0 3 286.297 2.462 10 0 CEAEHN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N ZINC000035571733 278060691 /nfs/dbraw/zinc/06/06/91/278060691.db2.gz KBMATORPRKJBNN-STQMWFEESA-N 0 3 292.379 2.357 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1N[C@H]1CCc2c1cccc2F ZINC000282048621 279028610 /nfs/dbraw/zinc/02/86/10/279028610.db2.gz AYCGAHJMUKLUJR-FZZIBODNSA-N 0 3 262.328 2.070 10 0 CEAEHN CC(C)C[C@H](NC[C@H]1CN(C)CCO1)c1ccccn1 ZINC000180495048 279193267 /nfs/dbraw/zinc/19/32/67/279193267.db2.gz JMWBITDVNFKGIG-HOCLYGCPSA-N 0 3 277.412 2.089 10 0 CEAEHN CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H](C)CCN2)s1 ZINC000230295176 279250208 /nfs/dbraw/zinc/25/02/08/279250208.db2.gz MRQARUHBJLKYLJ-UWVGGRQHSA-N 0 3 282.413 2.063 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)C2(CCOC)CCCC2)C1 ZINC000177541873 279293429 /nfs/dbraw/zinc/29/34/29/279293429.db2.gz DSJXHAAYCOLBLP-CQSZACIVSA-N 0 3 282.428 2.184 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCO[C@H]1C ZINC000250978312 280253689 /nfs/dbraw/zinc/25/36/89/280253689.db2.gz VLTXTOCKMYHMCW-RRFJBIMHSA-N 0 3 282.428 2.182 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCS[C@@H](C(C)C)C2)C1 ZINC000246109997 280274562 /nfs/dbraw/zinc/27/45/62/280274562.db2.gz HTLUWYBDFSBCPI-UONOGXRCSA-N 0 3 299.484 2.254 10 0 CEAEHN C[C@H]1CN(C[C@@H](O)COc2ccc(F)cc2)CCS1 ZINC000246178988 280278424 /nfs/dbraw/zinc/27/84/24/280278424.db2.gz UJWIUWFOZXRCMR-WCQYABFASA-N 0 3 285.384 2.003 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246349936 280288559 /nfs/dbraw/zinc/28/85/59/280288559.db2.gz PCIXBZLLCVJUOF-FRRDWIJNSA-N 0 3 255.406 2.013 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c(C)n1 ZINC000247393404 280327965 /nfs/dbraw/zinc/32/79/65/280327965.db2.gz QOOXHQJOHLOEKU-ABAIWWIYSA-N 0 3 275.396 2.157 10 0 CEAEHN CCc1ncc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000247442704 280329300 /nfs/dbraw/zinc/32/93/00/280329300.db2.gz SCMVMKQSSPMRPA-MNOVXSKESA-N 0 3 281.425 2.164 10 0 CEAEHN CC/C=C/CCN1CCN(CCOC)[C@@H](CC)C1 ZINC000248612475 280355000 /nfs/dbraw/zinc/35/50/00/280355000.db2.gz IOEVOKZQGFTGKO-LFAOLKIESA-N 0 3 254.418 2.385 10 0 CEAEHN COCCN1CCN(Cc2ccc(C)c(OC)c2)C[C@@H]1C ZINC000248990154 280378440 /nfs/dbraw/zinc/37/84/40/280378440.db2.gz NDYZAMFAFSKBJM-HNNXBMFYSA-N 0 3 292.423 2.156 10 0 CEAEHN CC[C@H](SC)C(=O)N1C[C@@H]2CCCN2C[C@H]1CC ZINC000246081074 281014756 /nfs/dbraw/zinc/01/47/56/281014756.db2.gz GEGALWRGXIKEGG-AGIUHOORSA-N 0 3 270.442 2.213 10 0 CEAEHN CC1(C)CCC[C@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263485855 281067641 /nfs/dbraw/zinc/06/76/41/281067641.db2.gz HIMMWOKKMZYMSI-YMAMQOFZSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1(C)CCC[C@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263485855 281067642 /nfs/dbraw/zinc/06/76/42/281067642.db2.gz HIMMWOKKMZYMSI-YMAMQOFZSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1(C)CCC[C@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263485855 281067643 /nfs/dbraw/zinc/06/76/43/281067643.db2.gz HIMMWOKKMZYMSI-YMAMQOFZSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000247041279 288313331 /nfs/dbraw/zinc/31/33/31/288313331.db2.gz GPPOUABGBNWIOA-PWSUYJOCSA-N 0 3 279.771 2.044 10 0 CEAEHN CN(C)C[C@@H]1CN(CC(C)(C)c2ccccc2)CCO1 ZINC000183399489 289201870 /nfs/dbraw/zinc/20/18/70/289201870.db2.gz OXLIBHRDODURBO-MRXNPFEDSA-N 0 3 276.424 2.227 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000184272615 289287998 /nfs/dbraw/zinc/28/79/98/289287998.db2.gz GXXJGUSMICQHFZ-DZGCQCFKSA-N 0 3 258.365 2.097 10 0 CEAEHN Cc1nc2c(s1)[C@H](N[C@@H]1CCc3ncnn3C1)CCC2 ZINC000180589429 293440000 /nfs/dbraw/zinc/44/00/00/293440000.db2.gz OBMPCFLOXGTTAI-ZYHUDNBSSA-N 0 3 289.408 2.025 10 0 CEAEHN NC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCC1 ZINC000147759137 295202081 /nfs/dbraw/zinc/20/20/81/295202081.db2.gz TUWHDOLRLZZROP-UHFFFAOYSA-N 0 3 264.291 2.105 10 0 CEAEHN Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H](C)O2)N(C)C)cc1 ZINC000246113467 301796934 /nfs/dbraw/zinc/79/69/34/301796934.db2.gz XSCMRNUWKDWZEL-VNQPRFMTSA-N 0 3 290.407 2.281 10 0 CEAEHN Cc1ccnc(N2C[C@@H](C)NC[C@@H]2C)c1Br ZINC000235333210 302274781 /nfs/dbraw/zinc/27/47/81/302274781.db2.gz MQOAEAPTIYKYKL-ZJUUUORDSA-N 0 3 284.201 2.339 10 0 CEAEHN CC(C)N[C@@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062522664 519733993 /nfs/dbraw/zinc/73/39/93/519733993.db2.gz QAWWXFJPWLHVMG-MELADBBJSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)N[C@@H](CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062522664 519733999 /nfs/dbraw/zinc/73/39/99/519733999.db2.gz QAWWXFJPWLHVMG-MELADBBJSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@H](CN2CCC[C@H](O)C2)C1 ZINC000054559269 519801872 /nfs/dbraw/zinc/80/18/72/519801872.db2.gz ICPMCSDEJCFYAD-RDBSUJKOSA-N 0 3 253.386 2.085 10 0 CEAEHN CCCNC(=O)[C@@H](CN)Cc1ccc(OCCC)cc1 ZINC000052919416 519889417 /nfs/dbraw/zinc/88/94/17/519889417.db2.gz FZADOYGHHCXTEN-CQSZACIVSA-N 0 3 278.396 2.119 10 0 CEAEHN CCCN[C@@H](CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000062448513 519995755 /nfs/dbraw/zinc/99/57/55/519995755.db2.gz YCIGCRGIRAWZLU-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@@H](CC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000062448513 519995761 /nfs/dbraw/zinc/99/57/61/519995761.db2.gz YCIGCRGIRAWZLU-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCNCc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000052540194 519995843 /nfs/dbraw/zinc/99/58/43/519995843.db2.gz QVLLNUQAAXVEMB-LSDHHAIUSA-N 0 3 264.369 2.142 10 0 CEAEHN CCNCc1coc(CN2C[C@@H](C)OC(C)(C)C2)c1 ZINC000052543544 520016840 /nfs/dbraw/zinc/01/68/40/520016840.db2.gz SUVPBVPLEOLTSY-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN CCCN[C@@](CO[C@@H](C)CC(C)C)(C(N)=O)C1CC1 ZINC000069196495 520055815 /nfs/dbraw/zinc/05/58/15/520055815.db2.gz XGEZOTPPPPUHDD-SWLSCSKDSA-N 0 3 270.417 2.071 10 0 CEAEHN CCOC[C@@H](O)COc1ccc(C)cc1[C@H](C)NC ZINC000069275533 520104749 /nfs/dbraw/zinc/10/47/49/520104749.db2.gz FULICNAXKWIIHK-QWHCGFSZSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OC[C@H](O)COCC ZINC000069276316 520176302 /nfs/dbraw/zinc/17/63/02/520176302.db2.gz DRDMVNUEEXHREN-ZIAGYGMSSA-N 0 3 281.396 2.442 10 0 CEAEHN CCC[C@@H](C)N(C)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051090332 520646845 /nfs/dbraw/zinc/64/68/45/520646845.db2.gz QRWKEBBBJDCSDH-MRVPVSSYSA-N 0 3 270.764 2.281 10 0 CEAEHN CCC[C@H](N[C@@H](C)C(=O)NC(=O)NCC)c1cccs1 ZINC000049544551 521167903 /nfs/dbraw/zinc/16/79/03/521167903.db2.gz IUMSGOMWVKGXSG-QWRGUYRKSA-N 0 3 297.424 2.413 10 0 CEAEHN CCC(CC)N(CCOC)Cc1ccoc1CN ZINC000052573344 521562173 /nfs/dbraw/zinc/56/21/73/521562173.db2.gz FDTPPZVDLYGGLY-UHFFFAOYSA-N 0 3 254.374 2.375 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)NC ZINC000062746498 521744004 /nfs/dbraw/zinc/74/40/04/521744004.db2.gz LNDARSYSDOQGKP-NXEZZACHSA-N 0 3 268.332 2.010 10 0 CEAEHN COCC[C@@H](N)c1nc2c([nH]1)CCc1sccc1-2 ZINC000061327125 521830422 /nfs/dbraw/zinc/83/04/22/521830422.db2.gz WQTVKMFROCXXSN-SECBINFHSA-N 0 3 263.366 2.273 10 0 CEAEHN CCc1nc(N(C)[C@@H](C)COC)sc1CNC1CC1 ZINC000054998833 522381124 /nfs/dbraw/zinc/38/11/24/522381124.db2.gz WJLLXTGSKFPVEC-JTQLQIEISA-N 0 3 283.441 2.429 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632773 522415154 /nfs/dbraw/zinc/41/51/54/522415154.db2.gz RXFPXLDUSIARTC-XPKDYRNWSA-N 0 3 282.428 2.482 10 0 CEAEHN CN[C@H](Cc1ccc(OC)c(F)c1)c1ccncn1 ZINC000070097435 522474181 /nfs/dbraw/zinc/47/41/81/522474181.db2.gz SMEJPBPOPRWKQP-CYBMUJFWSA-N 0 3 261.300 2.128 10 0 CEAEHN CN[C@](C)(CN1CCC2(CCCCC2)CC1)C(=O)OC ZINC000061821781 522517406 /nfs/dbraw/zinc/51/74/06/522517406.db2.gz QURMRWHWHDFWKP-OAHLLOKOSA-N 0 3 282.428 2.184 10 0 CEAEHN CCC[C@H](N[C@@H]1CCc2ncnn2C1)c1cccnc1 ZINC000185993405 517612851 /nfs/dbraw/zinc/61/28/51/517612851.db2.gz QCDBBCOJOMXKBL-KGLIPLIRSA-N 0 3 271.368 2.119 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(O)c1 ZINC000049560314 519340179 /nfs/dbraw/zinc/34/01/79/519340179.db2.gz ZYNIWFLFESBXOD-CYBMUJFWSA-N 0 3 264.369 2.098 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670582 519340904 /nfs/dbraw/zinc/34/09/04/519340904.db2.gz NBPCVUMASZBJQH-CQSZACIVSA-N 0 3 288.395 2.269 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc(Cl)ccc1N ZINC000049191870 519793415 /nfs/dbraw/zinc/79/34/15/519793415.db2.gz WSAZRYQYSAMZMN-CYBMUJFWSA-N 0 3 283.803 2.238 10 0 CEAEHN CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745688 519888763 /nfs/dbraw/zinc/88/87/63/519888763.db2.gz HYXIUJUWAKCESG-VHSXEESVSA-N 0 3 268.332 2.139 10 0 CEAEHN CCCn1nccc1[C@H](N)Cc1nc(C)cs1 ZINC000069472210 519892391 /nfs/dbraw/zinc/89/23/91/519892391.db2.gz OKUWPARXFLFULQ-SNVBAGLBSA-N 0 3 250.371 2.301 10 0 CEAEHN CCCC1CCN(C[C@@](NC)(C(=O)OCC)C2CC2)CC1 ZINC000069231677 519902327 /nfs/dbraw/zinc/90/23/27/519902327.db2.gz SYJIHMRCSQSRCV-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CC(C)n1c(Sc2cccc(F)c2[C@@H](C)N)n[nH]c1=O ZINC000061595933 519924658 /nfs/dbraw/zinc/92/46/58/519924658.db2.gz OMBNZKWWXXFCHK-MRVPVSSYSA-N 0 3 296.371 2.462 10 0 CEAEHN CCCNCc1c(C)nc(C[C@@H]2CCCO2)nc1C ZINC000054854224 519942225 /nfs/dbraw/zinc/94/22/25/519942225.db2.gz QZDFFNHOMUVWHT-ZDUSSCGKSA-N 0 3 263.385 2.315 10 0 CEAEHN CCNCc1cc(CN(CC)CCOC)oc1C ZINC000052542669 519988203 /nfs/dbraw/zinc/98/82/03/519988203.db2.gz QRRDWMLEHLJPQE-UHFFFAOYSA-N 0 3 254.374 2.166 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OC[C@H](C)C(N)=O ZINC000062747432 519989274 /nfs/dbraw/zinc/98/92/74/519989274.db2.gz FWEGZIVBEZOGEJ-QWRGUYRKSA-N 0 3 282.359 2.387 10 0 CEAEHN CCCN[C@@H](CS(C)(=O)=O)c1ccc(C)cc1 ZINC000052789195 520011003 /nfs/dbraw/zinc/01/10/03/520011003.db2.gz OTOMXHJWCKCVJM-ZDUSSCGKSA-N 0 3 255.383 2.080 10 0 CEAEHN CCCN[C@@H](Cn1ncccc1=O)c1ccc(C)cc1 ZINC000061402205 520015596 /nfs/dbraw/zinc/01/55/96/520015596.db2.gz NJNDTXRQSGOTLT-HNNXBMFYSA-N 0 3 271.364 2.293 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)c(OC)c1)[C@H]1COCCO1 ZINC000055300394 520018680 /nfs/dbraw/zinc/01/86/80/520018680.db2.gz XYMNCLFEAHWCPY-CVEARBPZSA-N 0 3 295.379 2.160 10 0 CEAEHN CCOCCOc1ccc(Cl)cc1CNCCOC ZINC000062731029 520039696 /nfs/dbraw/zinc/03/96/96/520039696.db2.gz ZUIWUDRRUPKFHS-UHFFFAOYSA-N 0 3 287.787 2.491 10 0 CEAEHN CCCN[C@@](COc1ccccc1CC)(C(N)=O)C1CC1 ZINC000069197958 520056891 /nfs/dbraw/zinc/05/68/91/520056891.db2.gz WDALCCHFIBHLPS-QGZVFWFLSA-N 0 3 290.407 2.262 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OC[C@@H](O)COCC ZINC000069276110 520076356 /nfs/dbraw/zinc/07/63/56/520076356.db2.gz KDPPCBAOLCSYGO-AAEUAGOBSA-N 0 3 285.359 2.272 10 0 CEAEHN CCN[C@@H](C)c1ccccc1OC[C@H](O)COCC ZINC000069275283 520078530 /nfs/dbraw/zinc/07/85/30/520078530.db2.gz PCHWRERANYGLDS-QWHCGFSZSA-N 0 3 267.369 2.133 10 0 CEAEHN CCCN[C@H](c1ccc(F)c(F)c1)[C@H]1COCCO1 ZINC000055300600 520088953 /nfs/dbraw/zinc/08/89/53/520088953.db2.gz RUQLCXVNCZJWJE-ZIAGYGMSSA-N 0 3 271.307 2.421 10 0 CEAEHN CCN[C@@H](CCN1CCC(C)(CC)CC1)C(=O)OCC ZINC000062956182 520089450 /nfs/dbraw/zinc/08/94/50/520089450.db2.gz VGPGXRSTXIQVPZ-AWEZNQCLSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCN[C@H](c1ccc2c(c1)CCO2)[C@@H]1COCCO1 ZINC000055300471 520089808 /nfs/dbraw/zinc/08/98/08/520089808.db2.gz BUQASXQQETVKCR-JKSUJKDBSA-N 0 3 277.364 2.078 10 0 CEAEHN CCN[C@@H](CCOc1ccc2ccccc2c1)C(N)=O ZINC000062550737 520092481 /nfs/dbraw/zinc/09/24/81/520092481.db2.gz CQPUQPOUHGYSBV-HNNXBMFYSA-N 0 3 272.348 2.072 10 0 CEAEHN CCN[C@@H](c1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000050568906 520109350 /nfs/dbraw/zinc/10/93/50/520109350.db2.gz FKPVTAOJUSWADP-BXUZGUMPSA-N 0 3 285.384 2.219 10 0 CEAEHN CCCCCC[C@@H](C)N[C@@H]1CC(=O)N(CCC)C1=O ZINC000049200074 520117289 /nfs/dbraw/zinc/11/72/89/520117289.db2.gz JWBBEWKQZBWBAS-CHWSQXEVSA-N 0 3 268.401 2.472 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3ncccn3)ccc21 ZINC000062804727 520124744 /nfs/dbraw/zinc/12/47/44/520124744.db2.gz YVFITRIRNSXOKX-CYBMUJFWSA-N 0 3 271.320 2.099 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)N(CC)c1ccccc1C)C(N)=O ZINC000068616690 520144921 /nfs/dbraw/zinc/14/49/21/520144921.db2.gz IFGXDXJXMOEPRC-YOEHRIQHSA-N 0 3 291.439 2.453 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCC(=O)N1CCCC1 ZINC000062747073 520178728 /nfs/dbraw/zinc/17/87/28/520178728.db2.gz SDPUFBNZQBZQIG-GFCCVEGCSA-N 0 3 294.370 2.497 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCSCC2)s1 ZINC000054901840 520181127 /nfs/dbraw/zinc/18/11/27/520181127.db2.gz SPIYBUCPGWTJSF-SECBINFHSA-N 0 3 257.428 2.367 10 0 CEAEHN CCCNc1ccnc(C(=O)N[C@H]2CCCN(CC)C2)c1 ZINC000050777677 520184577 /nfs/dbraw/zinc/18/45/77/520184577.db2.gz KCPPBZFGSDSWOL-AWEZNQCLSA-N 0 3 290.411 2.118 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1ccc(CC)cc1 ZINC000052885552 520197371 /nfs/dbraw/zinc/19/73/71/520197371.db2.gz ZNTHCNJDRCSKBN-OAHLLOKOSA-N 0 3 275.396 2.267 10 0 CEAEHN CCN[C@H](c1ccc(CC)cc1)[C@H](C)S(C)(=O)=O ZINC000054930477 520208345 /nfs/dbraw/zinc/20/83/45/520208345.db2.gz ZDSZVLIIBOJOFJ-FZMZJTMJSA-N 0 3 269.410 2.333 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000050568907 520208555 /nfs/dbraw/zinc/20/85/55/520208555.db2.gz FKPVTAOJUSWADP-RISCZKNCSA-N 0 3 285.384 2.219 10 0 CEAEHN CCN[C@H]1COc2cc(O[C@H]3CCCC[C@@H]3O)ccc21 ZINC000062804764 520222247 /nfs/dbraw/zinc/22/22/47/520222247.db2.gz QRGGFNPELRUORE-KKUMJFAQSA-N 0 3 277.364 2.412 10 0 CEAEHN CCCCC[C@H](C)NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049631383 520309894 /nfs/dbraw/zinc/30/98/94/520309894.db2.gz UYVATGCBLMEKBJ-QWHCGFSZSA-N 0 3 276.446 2.017 10 0 CEAEHN CCO[C@@H]1CCCN(c2ccc(CNCC(C)C)nn2)C1 ZINC000051521358 520322330 /nfs/dbraw/zinc/32/23/30/520322330.db2.gz WRAJRAOIRJTWEM-OAHLLOKOSA-N 0 3 292.427 2.228 10 0 CEAEHN CCO[C@@H]1CCCN(c2nc(C3CC3)c(CN)s2)C1 ZINC000069181776 520322778 /nfs/dbraw/zinc/32/27/78/520322778.db2.gz HFZKUCJUGJAJCD-LLVKDONJSA-N 0 3 281.425 2.485 10 0 CEAEHN CCNc1ccccc1C(=O)N[C@H](C)CN1CCCC1 ZINC000050787869 520338835 /nfs/dbraw/zinc/33/88/35/520338835.db2.gz POMCHARLNCBQFR-CYBMUJFWSA-N 0 3 275.396 2.333 10 0 CEAEHN CCCOc1ccc([C@H](N)Cn2cc(C)cnc2=O)cc1 ZINC000063049836 520428457 /nfs/dbraw/zinc/42/84/57/520428457.db2.gz DTDJWIFKFOYEHU-OAHLLOKOSA-N 0 3 287.363 2.041 10 0 CEAEHN CCN(CC)C(=O)CN(C)c1ccc(Cl)cc1CN ZINC000052857224 520476726 /nfs/dbraw/zinc/47/67/26/520476726.db2.gz UJFIUZGLSQYXJB-UHFFFAOYSA-N 0 3 283.803 2.103 10 0 CEAEHN CCOC(=O)CC[C@H](N)c1cc(OC)c(OC)cc1F ZINC000061561752 520713968 /nfs/dbraw/zinc/71/39/68/520713968.db2.gz PBFAJZUXQXOFCH-NSHDSACASA-N 0 3 285.315 2.186 10 0 CEAEHN CCCCOCCOc1cc(OC)ccc1CN ZINC000049261609 520792360 /nfs/dbraw/zinc/79/23/60/520792360.db2.gz FMCDMQHEHNIOCJ-UHFFFAOYSA-N 0 3 253.342 2.349 10 0 CEAEHN CCCCO[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000068529345 520818418 /nfs/dbraw/zinc/81/84/18/520818418.db2.gz BMERYAGHMAVZGI-UONOGXRCSA-N 0 3 272.433 2.284 10 0 CEAEHN CCC[C@H](NCC(=O)N[C@H](C)COC)c1cccs1 ZINC000049544046 521155187 /nfs/dbraw/zinc/15/51/87/521155187.db2.gz URGOEACVZJWHDL-NEPJUHHUSA-N 0 3 284.425 2.330 10 0 CEAEHN CC[N@H+](CC[C@H](NC(C)C)C(=O)[O-])C1CCCCC1 ZINC000062439124 521157357 /nfs/dbraw/zinc/15/73/57/521157357.db2.gz PUCZNMDSMLBZHC-AWEZNQCLSA-N 0 3 270.417 2.482 10 0 CEAEHN CC[N@@H+](CC[C@H](NC(C)C)C(=O)[O-])C1CCCCC1 ZINC000062439124 521157360 /nfs/dbraw/zinc/15/73/60/521157360.db2.gz PUCZNMDSMLBZHC-AWEZNQCLSA-N 0 3 270.417 2.482 10 0 CEAEHN CCC(C)(C)N(C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000069446701 521303627 /nfs/dbraw/zinc/30/36/27/521303627.db2.gz BNFFKBOHNZNWHA-KRWDZBQOSA-N 0 3 292.423 2.395 10 0 CEAEHN CCOC(=O)[C@](C)(N)CCCN1Cc2ccccc2C1 ZINC000050912259 521327923 /nfs/dbraw/zinc/32/79/23/521327923.db2.gz VUYMIEXBNWFPOX-MRXNPFEDSA-N 0 3 276.380 2.063 10 0 CEAEHN CCOC(=O)[C@](CN(CC)C(C)C)(NC1CC1)C1CC1 ZINC000069097139 521338860 /nfs/dbraw/zinc/33/88/60/521338860.db2.gz DZEFOLQHKRQBCO-MRXNPFEDSA-N 0 3 282.428 2.181 10 0 CEAEHN CCCN(CCN(C)C)C(=O)c1ccc(NC)cc1 ZINC000050786169 521655455 /nfs/dbraw/zinc/65/54/55/521655455.db2.gz ZVQYXSMJOKGCHS-UHFFFAOYSA-N 0 3 263.385 2.142 10 0 CEAEHN CCCN(CCN(C)C)Cc1nc2sccc2c(N)n1 ZINC000050816472 521657738 /nfs/dbraw/zinc/65/77/38/521657738.db2.gz UEUQUBRDEOIYRN-UHFFFAOYSA-N 0 3 293.440 2.047 10 0 CEAEHN CCOC1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069180160 521657999 /nfs/dbraw/zinc/65/79/99/521657999.db2.gz NVFPIYDSBKXMOX-UHFFFAOYSA-N 0 3 281.425 2.485 10 0 CEAEHN CCCN(CCO)Cc1cc2ccc(OC)cc2nc1N ZINC000050815771 521667127 /nfs/dbraw/zinc/66/71/27/521667127.db2.gz MJWFXGJRBRGUBG-UHFFFAOYSA-N 0 3 289.379 2.030 10 0 CEAEHN CCC1(CC)CC(=O)N(c2ccc3c(c2)CNCC3)C1=O ZINC000069052868 521683975 /nfs/dbraw/zinc/68/39/75/521683975.db2.gz HHGAPNRYNDMEJC-UHFFFAOYSA-N 0 3 286.375 2.402 10 0 CEAEHN CCN1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1 ZINC000054994812 521700094 /nfs/dbraw/zinc/70/00/94/521700094.db2.gz HEJHRLPQSPVJCB-UHFFFAOYSA-N 0 3 282.457 2.041 10 0 CEAEHN CCNC(=O)CCOc1cc(F)ccc1[C@H](C)NC ZINC000062746279 521735942 /nfs/dbraw/zinc/73/59/42/521735942.db2.gz DXBJCYWHYAISSA-JTQLQIEISA-N 0 3 268.332 2.011 10 0 CEAEHN CCNC(=O)c1cc(N[C@@H](C)CN2CCCCC2)ccn1 ZINC000049502114 521747213 /nfs/dbraw/zinc/74/72/13/521747213.db2.gz PPDBTLMZXNKIIQ-ZDUSSCGKSA-N 0 3 290.411 2.118 10 0 CEAEHN COC(=O)c1c(Cl)cc(Br)cc1CN ZINC000299890087 521761011 /nfs/dbraw/zinc/76/10/11/521761011.db2.gz UBEGXOCRTKJEET-UHFFFAOYSA-N 0 3 278.533 2.348 10 0 CEAEHN CCc1ccccc1OC[C@@](NC1CC1)(C(N)=O)C1CC1 ZINC000069197965 521923211 /nfs/dbraw/zinc/92/32/11/521923211.db2.gz NFLRCRMYBYLTHZ-KRWDZBQOSA-N 0 3 288.391 2.014 10 0 CEAEHN COCC[C@H](N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052790715 521942146 /nfs/dbraw/zinc/94/21/46/521942146.db2.gz HVMDICVZCOKLJQ-INRQWTSDSA-N 0 3 294.439 2.071 10 0 CEAEHN CC[C@@H](C)CNCC(=O)Nc1ccc(OC)cc1 ZINC000054472190 521996316 /nfs/dbraw/zinc/99/63/16/521996316.db2.gz MGKXJMPTJGXDKJ-LLVKDONJSA-N 0 3 250.342 2.269 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1nc(NN)ccc1Cl ZINC000061638497 522092157 /nfs/dbraw/zinc/09/21/57/522092157.db2.gz WMTWSBYDCDCTHS-SNVBAGLBSA-N 0 3 286.807 2.268 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc3ccccc3cc2N)C1 ZINC000062971964 522103465 /nfs/dbraw/zinc/10/34/65/522103465.db2.gz SITHJNLFDKSEJO-AWEZNQCLSA-N 0 3 283.375 2.198 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000055068929 522123724 /nfs/dbraw/zinc/12/37/24/522123724.db2.gz AYPCHAFNXCBDRO-WBVHZDCISA-N 0 3 276.424 2.310 10 0 CEAEHN CC[C@@H](C)N1CCN([C@@H]2CCCCC[C@@H]2O)CC1 ZINC000055069771 522128952 /nfs/dbraw/zinc/12/89/52/522128952.db2.gz LQETYSAFNPJACY-KFWWJZLASA-N 0 3 254.418 2.096 10 0 CEAEHN CNCc1cccc(NC(=O)c2cccnc2OC)c1 ZINC000061445211 522131372 /nfs/dbraw/zinc/13/13/72/522131372.db2.gz TYMZMCZUJFBJGS-UHFFFAOYSA-N 0 3 271.320 2.062 10 0 CEAEHN CNCc1cnc(-c2cc(F)c(F)c(F)c2)nc1 ZINC000054855582 522145232 /nfs/dbraw/zinc/14/52/32/522145232.db2.gz WGLWASNOXQHBPL-UHFFFAOYSA-N 0 3 253.227 2.280 10 0 CEAEHN CNCc1cnc(N(C)[C@@H]2CCSC2)c(Cl)c1 ZINC000051442255 522147347 /nfs/dbraw/zinc/14/73/47/522147347.db2.gz XTHFHYHHLOWMAM-SNVBAGLBSA-N 0 3 271.817 2.396 10 0 CEAEHN CN(C)c1cccc(OCc2cccnc2CN)c1 ZINC000061657680 522283166 /nfs/dbraw/zinc/28/31/66/522283166.db2.gz XWYWQJQSYFSTKM-UHFFFAOYSA-N 0 3 257.337 2.185 10 0 CEAEHN CN[C@@H](CCOc1ccccc1)c1cccnc1N ZINC000070320254 522349466 /nfs/dbraw/zinc/34/94/66/522349466.db2.gz LYJVJOPOAFVZPW-AWEZNQCLSA-N 0 3 257.337 2.393 10 0 CEAEHN CN[C@@H](CN1CCN(C)C1=O)c1ccc2ccccc2c1 ZINC000052885685 522354353 /nfs/dbraw/zinc/35/43/53/522354353.db2.gz ICCLATCUMSNECP-INIZCTEOSA-N 0 3 283.375 2.468 10 0 CEAEHN CN[C@@H](Cn1ncccc1=O)c1ccc2ccccc2c1 ZINC000061402625 522364994 /nfs/dbraw/zinc/36/49/94/522364994.db2.gz ZOUXHHXEMWFRNW-INIZCTEOSA-N 0 3 279.343 2.357 10 0 CEAEHN CN[C@@H](Cn1nc(C)ccc1=O)c1ccc(C)cc1C ZINC000061810238 522365376 /nfs/dbraw/zinc/36/53/76/522365376.db2.gz DOZYGJAKGUIOPI-HNNXBMFYSA-N 0 3 271.364 2.129 10 0 CEAEHN CCc1nc(N2CCCC2)sc1CNCCOC ZINC000054995167 522383581 /nfs/dbraw/zinc/38/35/81/522383581.db2.gz IIPUNUTWVCXELB-UHFFFAOYSA-N 0 3 269.414 2.042 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632773 522415148 /nfs/dbraw/zinc/41/51/48/522415148.db2.gz RXFPXLDUSIARTC-XPKDYRNWSA-N 0 3 282.428 2.482 10 0 CEAEHN COC[C@@H](O)COc1c2ccccc2ccc1[C@H](C)N ZINC000069053620 522425443 /nfs/dbraw/zinc/42/54/43/522425443.db2.gz PYNCDDSAGIXMLM-WCQYABFASA-N 0 3 275.348 2.246 10 0 CEAEHN CN[C@@](COc1cccc(C(C)C)c1)(C(N)=O)C1CC1 ZINC000069197038 522431464 /nfs/dbraw/zinc/43/14/64/522431464.db2.gz OBLNSGWQLWLBOL-MRXNPFEDSA-N 0 3 276.380 2.042 10 0 CEAEHN CN[C@H](C)c1c(C)nn(C[C@H]2CCCCO2)c1C ZINC000054717881 522445221 /nfs/dbraw/zinc/44/52/21/522445221.db2.gz PJGBDRKQRBYWKD-ZWNOBZJWSA-N 0 3 251.374 2.349 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)OC ZINC000062746143 522447739 /nfs/dbraw/zinc/44/77/39/522447739.db2.gz AWEPHKQBYOKRNA-BDAKNGLRSA-N 0 3 255.289 2.046 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC1CC1 ZINC000062746505 522447796 /nfs/dbraw/zinc/44/77/96/522447796.db2.gz KIVVYXBSMJTCPF-NXEZZACHSA-N 0 3 280.343 2.152 10 0 CEAEHN CN[C@H](CN1CCN(C)C1=O)c1c(C)cc(C)cc1C ZINC000052885577 522465836 /nfs/dbraw/zinc/46/58/36/522465836.db2.gz DOQCNKLMLCSHQR-CQSZACIVSA-N 0 3 275.396 2.240 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCCO1 ZINC000062806516 522483271 /nfs/dbraw/zinc/48/32/71/522483271.db2.gz OOUNZWIUGGAINT-DOTOQJQBSA-N 0 3 288.391 2.425 10 0 CEAEHN CCc1nc2cc(N)ccc2n1[C@H]1CN2CCC1CC2 ZINC000052842686 522488939 /nfs/dbraw/zinc/48/89/39/522488939.db2.gz IZFJXBUYNZPIAO-HNNXBMFYSA-N 0 3 270.380 2.448 10 0 CEAEHN CN[C@](C)(CSc1ccc2ccccc2c1)C(N)=O ZINC000045590488 522518577 /nfs/dbraw/zinc/51/85/77/522518577.db2.gz JBOPEHSWFJIQFG-OAHLLOKOSA-N 0 3 274.389 2.395 10 0 CEAEHN CN[C@](C)(C[C@@H](C)Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000068652528 522521161 /nfs/dbraw/zinc/52/11/61/522521161.db2.gz BXKIQXYCJSGEQG-SJKOYZFVSA-N 0 3 290.407 2.186 10 0 CEAEHN CNc1c(F)cccc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062984949 522544872 /nfs/dbraw/zinc/54/48/72/522544872.db2.gz PRKMLSMKCBWBSO-GFCCVEGCSA-N 0 3 291.370 2.178 10 0 CEAEHN CNc1ccc(C(=O)N[C@H](CN(C)C)C(C)C)cc1 ZINC000050779751 522596271 /nfs/dbraw/zinc/59/62/71/522596271.db2.gz BDWRXWGTTVWCOR-CQSZACIVSA-N 0 3 263.385 2.044 10 0 CEAEHN COC[C@H](C)N(C)c1c(CNC(C)(C)C)c(C)nn1C ZINC000062737311 522596531 /nfs/dbraw/zinc/59/65/31/522596531.db2.gz GBOWIGXWOUODJH-NSHDSACASA-N 0 3 282.432 2.088 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000061656081 522602480 /nfs/dbraw/zinc/60/24/80/522602480.db2.gz BIVLALZFPWMAND-CYBMUJFWSA-N 0 3 275.396 2.203 10 0 CEAEHN CC[C@@H](NC(=O)[C@@](C)(N)C1CC1)c1cccs1 ZINC000049532201 522764887 /nfs/dbraw/zinc/76/48/87/522764887.db2.gz IKNNULBUPGYKGB-MFKMUULPSA-N 0 3 252.383 2.443 10 0 CEAEHN CC[C@H](Oc1ccc(Cl)cc1[C@@H](C)N)C(N)=O ZINC000061676040 522871938 /nfs/dbraw/zinc/87/19/38/522871938.db2.gz KCPNGWWYHXMWIS-XCBNKYQSSA-N 0 3 256.733 2.002 10 0 CEAEHN COc1cc(OC)cc(O[C@H](CN)c2ccncc2)c1 ZINC000068800563 522874780 /nfs/dbraw/zinc/87/47/80/522874780.db2.gz FNSVSDLSBGKOHI-OAHLLOKOSA-N 0 3 274.320 2.178 10 0 CEAEHN CC[C@@H](NS(=O)(=O)c1cccc([C@H](C)N)c1)C(C)C ZINC000049147327 522904314 /nfs/dbraw/zinc/90/43/14/522904314.db2.gz FHLFUJWLOCUYAI-SMDDNHRTSA-N 0 3 284.425 2.419 10 0 CEAEHN CN(CCn1cc(N)cn1)Cc1ccc(Cl)cc1 ZINC000050614772 522999174 /nfs/dbraw/zinc/99/91/74/522999174.db2.gz YTOKQNBTMHXGEL-UHFFFAOYSA-N 0 3 264.760 2.251 10 0 CEAEHN CN(C[C@@H]1CCCO1)c1ccc(Cl)cc1CN ZINC000052857103 523054911 /nfs/dbraw/zinc/05/49/11/523054911.db2.gz FDESVMNMSWADLZ-LBPRGKRZSA-N 0 3 254.761 2.414 10 0 CEAEHN COCCCN(CCOC)Cc1occc1CNC(C)C ZINC000052543232 523258867 /nfs/dbraw/zinc/25/88/67/523258867.db2.gz IJLVASRVPXJSAP-UHFFFAOYSA-N 0 3 298.427 2.263 10 0 CEAEHN CC[C@@H]1CSC(N[C@@H](C)CN2CCCCC2)=N1 ZINC000049502342 523519371 /nfs/dbraw/zinc/51/93/71/523519371.db2.gz XFEKWZVCGAIXDA-NWDGAFQWSA-N 0 3 255.431 2.332 10 0 CEAEHN COCCN(C)CCNc1ccc(C(F)(F)F)cc1N ZINC000061378005 523614156 /nfs/dbraw/zinc/61/41/56/523614156.db2.gz OCOXWTOGQBGMNI-UHFFFAOYSA-N 0 3 291.317 2.278 10 0 CEAEHN COCCN(C)CCNc1ccc2ccccc2n1 ZINC000061379717 523616426 /nfs/dbraw/zinc/61/64/26/523616426.db2.gz CYGHRWSLGLTSCN-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN CCn1nccc1[C@H](Cc1csc(C)n1)NC ZINC000069472261 523746601 /nfs/dbraw/zinc/74/66/01/523746601.db2.gz GWLONSKLKZNVTH-NSHDSACASA-N 0 3 250.371 2.171 10 0 CEAEHN COCCNCCOc1ccc(F)cc1Br ZINC000053564265 523938829 /nfs/dbraw/zinc/93/88/29/523938829.db2.gz TURTXEMKLKEBOZ-UHFFFAOYSA-N 0 3 292.148 2.203 10 0 CEAEHN COCCNC[C@H](O)c1cccc(Cl)c1Cl ZINC000055030372 523943883 /nfs/dbraw/zinc/94/38/83/523943883.db2.gz LMOXHKJHGDMKEA-JTQLQIEISA-N 0 3 264.152 2.263 10 0 CEAEHN COCCNCc1cc(F)ccc1N1CCSCC1 ZINC000062734943 523949724 /nfs/dbraw/zinc/94/97/24/523949724.db2.gz NQEFMLMLOQZAMC-UHFFFAOYSA-N 0 3 284.400 2.115 10 0 CEAEHN COCCNCc1cc(F)ccc1N(C)[C@H](C)COC ZINC000062737322 523950168 /nfs/dbraw/zinc/95/01/68/523950168.db2.gz CUPHUSFLMVUDQQ-GFCCVEGCSA-N 0 3 284.375 2.033 10 0 CEAEHN COCCNCc1ccccc1N(C)CC(F)(F)F ZINC000062736390 523955000 /nfs/dbraw/zinc/95/50/00/523955000.db2.gz KRBDXRWRFJVGCG-UHFFFAOYSA-N 0 3 276.302 2.421 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@H](N)c2ccccc2OC)CC1 ZINC000055065581 523955598 /nfs/dbraw/zinc/95/55/98/523955598.db2.gz FFVUTUUWVDULAZ-HOCLYGCPSA-N 0 3 291.439 2.111 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H]2C[C@@H](CC)CC[C@@H]2O)CC1 ZINC000055069627 523958502 /nfs/dbraw/zinc/95/85/02/523958502.db2.gz NZMBVSDRRBZOHC-JONQDZQNSA-N 0 3 268.445 2.342 10 0 CEAEHN COCCN[C@@H](CO)c1csc2ccccc21 ZINC000054465931 523961183 /nfs/dbraw/zinc/96/11/83/523961183.db2.gz JKGWXIDMMYTQCX-LBPRGKRZSA-N 0 3 251.351 2.171 10 0 CEAEHN CN1CC[C@@H](Nc2nnc(Cl)c3ccccc32)C1 ZINC000050529823 523969450 /nfs/dbraw/zinc/96/94/50/523969450.db2.gz VONUPYIVGQZHEC-SECBINFHSA-N 0 3 262.744 2.399 10 0 CEAEHN COc1ccc(NC(=O)CNC2CCCC2)cc1C ZINC000049531996 524496936 /nfs/dbraw/zinc/49/69/36/524496936.db2.gz AIIIURWFWMCAEK-UHFFFAOYSA-N 0 3 262.353 2.474 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1cccc2c1NCCC2 ZINC000050957956 524593381 /nfs/dbraw/zinc/59/33/81/524593381.db2.gz KCGRLUNIPQNWRK-ZDUSSCGKSA-N 0 3 287.407 2.259 10 0 CEAEHN C[C@@H](CN1CCCCC1)Nc1ncccc1C(N)=S ZINC000049502466 524610816 /nfs/dbraw/zinc/61/08/16/524610816.db2.gz RQFLZCBSGQQRRE-NSHDSACASA-N 0 3 278.425 2.002 10 0 CEAEHN C[C@H]1COCCN1Cc1cc(CNC(C)(C)C)co1 ZINC000052475988 524720684 /nfs/dbraw/zinc/72/06/84/524720684.db2.gz KCACZDWFYURFSH-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN COc1ccccc1[C@H]1[C@H](N)CC(=O)N1C(C)(C)C ZINC000062210110 524818609 /nfs/dbraw/zinc/81/86/09/524818609.db2.gz BHWDQDRDHZAPQN-RISCZKNCSA-N 0 3 262.353 2.094 10 0 CEAEHN C[C@H](N)[C@@H](c1ccco1)N(CCO)Cc1ccccc1 ZINC000050513975 524839233 /nfs/dbraw/zinc/83/92/33/524839233.db2.gz WIWKQKZSTYZAHT-BBRMVZONSA-N 0 3 274.364 2.162 10 0 CEAEHN C[C@@H](C[C@@](C)(N)C(N)=O)Oc1ccc(C(C)(C)C)cc1 ZINC000068655789 524853560 /nfs/dbraw/zinc/85/35/60/524853560.db2.gz DFWIFHUFDOUBMW-MEDUHNTESA-N 0 3 278.396 2.344 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000068643185 524863699 /nfs/dbraw/zinc/86/36/99/524863699.db2.gz QFSFYMKUHDDYIY-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H](N)c1cnc(N2CC(=O)Nc3ccccc32)s1 ZINC000054894853 524869024 /nfs/dbraw/zinc/86/90/24/524869024.db2.gz WPMWEMXTBVXNPX-QMMMGPOBSA-N 0 3 274.349 2.253 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)C[C@H]2CCCO2)c1 ZINC000055234642 524887096 /nfs/dbraw/zinc/88/70/96/524887096.db2.gz UBAQSLMYHBINAJ-YPMHNXCESA-N 0 3 251.326 2.273 10 0 CEAEHN C[C@H]1C[C@H]1NCC(=O)Nc1cccc(Br)c1 ZINC000052287815 524964616 /nfs/dbraw/zinc/96/46/16/524964616.db2.gz GNJFQJGUXBUDNU-GZMMTYOYSA-N 0 3 283.169 2.386 10 0 CEAEHN C[C@@H]1COCCN1[C@@H](CN)c1cc2ccccc2o1 ZINC000068811165 525129869 /nfs/dbraw/zinc/12/98/69/525129869.db2.gz TZYXCKABYFZAAB-YPMHNXCESA-N 0 3 260.337 2.153 10 0 CEAEHN C[C@](N)(C(=O)N1CC[C@@H](c2ccccc2)C1)C1CC1 ZINC000050600206 525144714 /nfs/dbraw/zinc/14/47/14/525144714.db2.gz LNJSGOSDWPCBHS-CZUORRHYSA-N 0 3 258.365 2.130 10 0 CEAEHN C[C@](N)(C(=O)Nc1nc2c(s1)CCCC2)C1CC1 ZINC000049559582 525148283 /nfs/dbraw/zinc/14/82/83/525148283.db2.gz DFBVJHBNKCNQIW-CYBMUJFWSA-N 0 3 265.382 2.088 10 0 CEAEHN C[C@](O)(COc1ccc2c(c1)OC[C@H]2N)c1ccccc1 ZINC000062803392 525183538 /nfs/dbraw/zinc/18/35/38/525183538.db2.gz HQCCGDWYAUVYBM-WBVHZDCISA-N 0 3 285.343 2.365 10 0 CEAEHN Cc1ccc(NC(=O)[C@H](C)NC[C@H]2CCCOC2)cc1 ZINC000070213379 525211855 /nfs/dbraw/zinc/21/18/55/525211855.db2.gz GNRPVIIFMOLJRK-UONOGXRCSA-N 0 3 276.380 2.338 10 0 CEAEHN Cc1ccccc1SCCC[C@@](C)(N)C(N)=O ZINC000045591700 525339473 /nfs/dbraw/zinc/33/94/73/525339473.db2.gz HQRDMXABBOKCJJ-CYBMUJFWSA-N 0 3 252.383 2.070 10 0 CEAEHN COc1ccc([C@H](N)c2cccnc2OC)c(C)c1 ZINC000061443296 525364530 /nfs/dbraw/zinc/36/45/30/525364530.db2.gz WHFVFCKNXNDPGA-AWEZNQCLSA-N 0 3 258.321 2.455 10 0 CEAEHN C[C@@H]1C[C@H](C)CN(C(=O)c2c[nH]c(=NN)c(Cl)c2)C1 ZINC000051112248 525378793 /nfs/dbraw/zinc/37/87/93/525378793.db2.gz ZWERNCNSMTVQCP-DTORHVGOSA-N 0 3 282.775 2.139 10 0 CEAEHN CSCCCN[C@@H](C)C(=O)N1CCCCCC1 ZINC000069447078 525481085 /nfs/dbraw/zinc/48/10/85/525481085.db2.gz FSVUSWPCXIRJMA-LBPRGKRZSA-N 0 3 258.431 2.120 10 0 CEAEHN Cc1cc([C@@H]2[C@@H](N)CC(=O)N2C(C)C)ccc1F ZINC000070293721 525498973 /nfs/dbraw/zinc/49/89/73/525498973.db2.gz UYSGHHRSJZULNR-GXTWGEPZSA-N 0 3 250.317 2.143 10 0 CEAEHN CSC[C@@H](C)CNCC(=O)Nc1cccc(F)c1 ZINC000069447431 525621754 /nfs/dbraw/zinc/62/17/54/525621754.db2.gz BXMRTXHJKZAVSA-JTQLQIEISA-N 0 3 270.373 2.353 10 0 CEAEHN COc1ccc2[nH]c(Sc3ccnc(C(=N)N)c3)nc2c1 ZINC000061814692 525682053 /nfs/dbraw/zinc/68/20/53/525682053.db2.gz FXZARXUYAUABIT-UHFFFAOYSA-N 0 3 299.359 2.402 10 0 CEAEHN C[C@@](N)(C(=O)N1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000050600204 525746573 /nfs/dbraw/zinc/74/65/73/525746573.db2.gz LNJSGOSDWPCBHS-BBRMVZONSA-N 0 3 258.365 2.130 10 0 CEAEHN Cc1ccc([C@H](C)NS(=O)(=O)C[C@H]2CCCCN2)cc1 ZINC000049631551 525933253 /nfs/dbraw/zinc/93/32/53/525933253.db2.gz XPLOBVZXYKUSRG-DZGCQCFKSA-N 0 3 296.436 2.118 10 0 CEAEHN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069133455 525940629 /nfs/dbraw/zinc/94/06/29/525940629.db2.gz NXASKFXYDOTUQP-SDDRHHMPSA-N 0 3 296.798 2.316 10 0 CEAEHN COc1cccc(CN2CCN[C@@H](c3ccccc3)C2)n1 ZINC000068693568 525948127 /nfs/dbraw/zinc/94/81/27/525948127.db2.gz FCMUCWODEAXSSV-MRXNPFEDSA-N 0 3 283.375 2.237 10 0 CEAEHN CSc1ccc(NS(=O)(=O)CCNC(C)C)cc1 ZINC000049640776 526043552 /nfs/dbraw/zinc/04/35/52/526043552.db2.gz LOJQZNDOYGMTBS-UHFFFAOYSA-N 0 3 288.438 2.148 10 0 CEAEHN Cc1cnc(NC(=O)[C@H](CN)c2ccccc2)s1 ZINC000061610835 526085972 /nfs/dbraw/zinc/08/59/72/526085972.db2.gz SRWOPGOCLAQIAU-LLVKDONJSA-N 0 3 261.350 2.133 10 0 CEAEHN Cc1ccc(C(=O)N2[C@H](C)CNC[C@H]2C)cc1Cl ZINC000069133348 526141925 /nfs/dbraw/zinc/14/19/25/526141925.db2.gz GNTRSQIIDCMIDA-GHMZBOCLSA-N 0 3 266.772 2.471 10 0 CEAEHN C[C@H](c1cccs1)N(C)Cc1cc(CN)no1 ZINC000052506781 526152985 /nfs/dbraw/zinc/15/29/85/526152985.db2.gz HLQBUHZNCIOYAQ-SECBINFHSA-N 0 3 251.355 2.388 10 0 CEAEHN C[C@@H](c1nc(-c2cnccn2)no1)[C@@H](N)c1ccccc1 ZINC000157959043 526164801 /nfs/dbraw/zinc/16/48/01/526164801.db2.gz POVYHYCDCDHRDU-ZWNOBZJWSA-N 0 3 281.319 2.330 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2cc(F)c(F)c(F)c2)C1 ZINC000062707710 526308032 /nfs/dbraw/zinc/30/80/32/526308032.db2.gz KEABKHNERXOYEJ-ZJUUUORDSA-N 0 3 259.271 2.497 10 0 CEAEHN S=C1N=NC(c2ccccn2)N1CCN1CCCCC1 ZINC000049575339 526390049 /nfs/dbraw/zinc/39/00/49/526390049.db2.gz RPXYXTJRUFIUTE-UHFFFAOYSA-N 0 3 289.408 2.115 10 0 CEAEHN c1cc(CN2CCCSCC2)c(CNC2CC2)o1 ZINC000052371060 526423276 /nfs/dbraw/zinc/42/32/76/526423276.db2.gz XGSJHMWGAKDCJI-UHFFFAOYSA-N 0 3 266.410 2.471 10 0 CEAEHN O=C(NCc1ccc(F)c(F)c1)c1ccc2c(c1)CNC2 ZINC000156741043 526669237 /nfs/dbraw/zinc/66/92/37/526669237.db2.gz YQOIKQQBBMJTEF-UHFFFAOYSA-N 0 3 288.297 2.498 10 0 CEAEHN O=C(c1ccc2c(c1)CCC2)N1CCN2CCC[C@@H]2C1 ZINC000049515939 526722801 /nfs/dbraw/zinc/72/28/01/526722801.db2.gz XAVYHEJEWYUZTQ-MRXNPFEDSA-N 0 3 270.376 2.096 10 0 CEAEHN N=C(N)c1cc(COc2ccc(F)cc2F)ccn1 ZINC000068762392 526820033 /nfs/dbraw/zinc/82/00/33/526820033.db2.gz QVOGVEXLJIIMCF-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN N=C(N)c1cccnc1OCCCc1ccccc1 ZINC000045627809 526824636 /nfs/dbraw/zinc/82/46/36/526824636.db2.gz DLFIHIBZOUHHCZ-UHFFFAOYSA-N 0 3 255.321 2.377 10 0 CEAEHN Cc1sc(C(=O)N[C@H](CC(C)C)CN(C)C)cc1N ZINC000049551041 526872948 /nfs/dbraw/zinc/87/29/48/526872948.db2.gz DNCJCZQRWKJYOD-LLVKDONJSA-N 0 3 283.441 2.345 10 0 CEAEHN Clc1ccc(-c2cc(N3CCNCC3)n[nH]2)s1 ZINC000062669984 526932580 /nfs/dbraw/zinc/93/25/80/526932580.db2.gz MQWYGQKDTHNIPJ-UHFFFAOYSA-N 0 3 268.773 2.201 10 0 CEAEHN Cc1nc(N(C)C2CCOCC2)sc1[C@H](C)N ZINC000054895971 526950728 /nfs/dbraw/zinc/95/07/28/526950728.db2.gz TZNGXBMCSHZXOJ-QMMMGPOBSA-N 0 3 255.387 2.086 10 0 CEAEHN Cc1nc(N2CCOC(C)(C)C2)sc1[C@H](C)N ZINC000054895947 526970661 /nfs/dbraw/zinc/97/06/61/526970661.db2.gz GHGCGHVWQGDHDG-QMMMGPOBSA-N 0 3 255.387 2.086 10 0 CEAEHN NC(=O)[C@H](CCSc1cccc(Cl)c1)NC1CC1 ZINC000062603385 526992706 /nfs/dbraw/zinc/99/27/06/526992706.db2.gz IIRIDLPBOYFKOZ-LBPRGKRZSA-N 0 3 284.812 2.428 10 0 CEAEHN NC(=O)[C@](CSCC1CCCC1)(NC1CC1)C1CC1 ZINC000069190746 527016786 /nfs/dbraw/zinc/01/67/86/527016786.db2.gz BPIQWMTVOYKQDQ-OAHLLOKOSA-N 0 3 282.453 2.296 10 0 CEAEHN O=C1NCCCC[C@@H]1N[C@@H](c1cccs1)C1CC1 ZINC000051100091 527061886 /nfs/dbraw/zinc/06/18/86/527061886.db2.gz YWHLUDSOYRCEPK-WCQYABFASA-N 0 3 264.394 2.458 10 0 CEAEHN O=C(Nc1cc(F)cc(F)c1F)[C@@H]1CCCCN1 ZINC000061118857 527122898 /nfs/dbraw/zinc/12/28/98/527122898.db2.gz SKVBROTXLBQXDC-VIFPVBQESA-N 0 3 258.243 2.185 10 0 CEAEHN Cc1nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2[nH]1 ZINC000062578626 527139648 /nfs/dbraw/zinc/13/96/48/527139648.db2.gz KDUYKNLGXZWPBN-UHFFFAOYSA-N 0 3 286.379 2.176 10 0 CEAEHN Cc1nc2ccccc2n1Cc1cccnc1CN ZINC000061656995 527170921 /nfs/dbraw/zinc/17/09/21/527170921.db2.gz NEESRSFUCNOUEA-UHFFFAOYSA-N 0 3 252.321 2.247 10 0 CEAEHN O=S(=O)(C[C@H]1CCCCN1)Nc1ccc(Cl)cc1 ZINC000049630815 527185456 /nfs/dbraw/zinc/18/54/56/527185456.db2.gz OVGPVVKWVGCUKH-GFCCVEGCSA-N 0 3 288.800 2.224 10 0 CEAEHN NC[C@H](c1cc(F)c(F)c(F)c1)N1CCSCC1 ZINC000062709651 527228481 /nfs/dbraw/zinc/22/84/81/527228481.db2.gz CKHZYRYIMHLRCX-LLVKDONJSA-N 0 3 276.327 2.153 10 0 CEAEHN NC[C@H](Sc1nnc2ccccn21)c1ccco1 ZINC000061406370 527228718 /nfs/dbraw/zinc/22/87/18/527228718.db2.gz AXEUYPHDVLGQIF-JTQLQIEISA-N 0 3 260.322 2.114 10 0 CEAEHN NCc1cc(F)c(Oc2ccccc2C(N)=O)c(F)c1 ZINC000062719990 527249195 /nfs/dbraw/zinc/24/91/95/527249195.db2.gz URXPAOMQLHKAJO-UHFFFAOYSA-N 0 3 278.258 2.315 10 0 CEAEHN NCc1cccc(C(=O)NCc2ccc(F)c(F)c2)c1 ZINC000049577192 527258489 /nfs/dbraw/zinc/25/84/89/527258489.db2.gz PTYWGSZBUIRTOJ-UHFFFAOYSA-N 0 3 276.286 2.354 10 0 CEAEHN NCc1cccc(NC(=O)c2ccc3nccnc3c2)c1 ZINC000061410254 527260495 /nfs/dbraw/zinc/26/04/95/527260495.db2.gz KSDPDEKUAWVGNA-UHFFFAOYSA-N 0 3 278.315 2.341 10 0 CEAEHN NCc1ncccc1CN1CCC[C@@H]1c1ccncc1 ZINC000061656607 527265035 /nfs/dbraw/zinc/26/50/35/527265035.db2.gz VEYUGZIEDRHDLU-MRXNPFEDSA-N 0 3 268.364 2.272 10 0 CEAEHN NCc1ncccc1CN1CCCc2ccccc21 ZINC000061656439 527265235 /nfs/dbraw/zinc/26/52/35/527265235.db2.gz OOCDHHAOAXSLLT-UHFFFAOYSA-N 0 3 253.349 2.493 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)c1cncc(F)c1 ZINC000156718058 527280674 /nfs/dbraw/zinc/28/06/74/527280674.db2.gz YXTQLMSOIVMVJA-UHFFFAOYSA-N 0 3 271.295 2.119 10 0 CEAEHN Cc1nccc(CN[C@H](Cn2ccnc2)C(C)(C)C)n1 ZINC000054790645 527339351 /nfs/dbraw/zinc/33/93/51/527339351.db2.gz BGSAUHOZWJVFQS-CQSZACIVSA-N 0 3 273.384 2.186 10 0 CEAEHN N[C@@H]1CCCN(c2cccc(Cl)c2Cl)C1=O ZINC000070062179 527348406 /nfs/dbraw/zinc/34/84/06/527348406.db2.gz FXKJKOQWFBLXAR-MRVPVSSYSA-N 0 3 259.136 2.448 10 0 CEAEHN Cc1nccn1Cc1csc(CNC(C)C)n1 ZINC000052576269 527450254 /nfs/dbraw/zinc/45/02/54/527450254.db2.gz RKNJGXDQFCQULO-UHFFFAOYSA-N 0 3 250.371 2.194 10 0 CEAEHN OCCC[C@H]1CCCN1Cc1ccc2c(c1)OCO2 ZINC000052762111 527546216 /nfs/dbraw/zinc/54/62/16/527546216.db2.gz AUXXBPGXQDUCAX-CYBMUJFWSA-N 0 3 263.337 2.152 10 0 CEAEHN Cc1nn(C)c(-n2ncc3ccccc32)c1CNC1CC1 ZINC000050526835 527597968 /nfs/dbraw/zinc/59/79/68/527597968.db2.gz SVYHDYDTTHKJCJ-UHFFFAOYSA-N 0 3 281.363 2.319 10 0 CEAEHN Cc1nn(C)c(N2CC[C@@H](C)C2)c1CNCC(C)C ZINC000062736634 527677001 /nfs/dbraw/zinc/67/70/01/527677001.db2.gz IHKCSTUYOLKEGQ-GFCCVEGCSA-N 0 3 264.417 2.320 10 0 CEAEHN CCCCc1nc(CN(C)C[C@H]2CCCN2CC)no1 ZINC000175357000 529037906 /nfs/dbraw/zinc/03/79/06/529037906.db2.gz ZYHGAJNGVKHYPL-CYBMUJFWSA-N 0 3 280.416 2.328 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1c1cncc(CNCC(C)C)n1 ZINC000091420718 536171239 /nfs/dbraw/zinc/17/12/39/536171239.db2.gz ZEXMBUWWJLHCHX-HIFRSBDPSA-N 0 3 292.427 2.226 10 0 CEAEHN CCN(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757132646 622804105 /nfs/dbraw/zinc/80/41/05/622804105.db2.gz DLMOJBUURNRDOF-UHFFFAOYSA-N 0 3 251.330 2.302 10 0 CEAEHN O[C@@H](CN[C@H]1COc2ccccc21)CC(F)(F)F ZINC000307951754 623512124 /nfs/dbraw/zinc/51/21/24/623512124.db2.gz VDVHLSSVLAALRI-SCZZXKLOSA-N 0 3 261.243 2.023 10 0 CEAEHN N[C@@H](CC1CC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000311378457 627649637 /nfs/dbraw/zinc/64/96/37/627649637.db2.gz UMYRMHIAPKEQOA-BPHCLYMKSA-N 0 3 262.397 2.055 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(Cl)n2)C1 ZINC000183830659 628192396 /nfs/dbraw/zinc/19/23/96/628192396.db2.gz LNYKDSBHCPCHRU-SNVBAGLBSA-N 0 3 282.775 2.341 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000236912931 629124303 /nfs/dbraw/zinc/12/43/03/629124303.db2.gz UKGIYRFOBCCUGM-IINYFYTJSA-N 0 3 290.342 2.323 10 0 CEAEHN CO[C@@H](C)CC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182520082 641671791 /nfs/dbraw/zinc/67/17/91/641671791.db2.gz RHKDNALFLGRKCH-KBPBESRZSA-N 0 3 278.396 2.048 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCSC(F)(F)F)C1 ZINC000057830357 642569840 /nfs/dbraw/zinc/56/98/40/642569840.db2.gz FUYZNUPEQZSVNN-VIFPVBQESA-N 0 3 299.362 2.023 10 0 CEAEHN NC(=O)c1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000095932514 185032919 /nfs/dbraw/zinc/03/29/19/185032919.db2.gz KLHHCQNXFYICOB-QGZVFWFLSA-N 0 3 296.370 2.439 10 0 CEAEHN COC(=O)c1sccc1CN1CCN2CCCC[C@@H]2C1 ZINC000121639236 365597975 /nfs/dbraw/zinc/59/79/75/365597975.db2.gz NWFNMLCEUQUKNX-CYBMUJFWSA-N 0 3 294.420 2.205 10 0 CEAEHN CN1CCN(CCc2ccc3ccccc3n2)CC1 ZINC000033827402 361784237 /nfs/dbraw/zinc/78/42/37/361784237.db2.gz HCLRRXBUWSFJGE-UHFFFAOYSA-N 0 3 255.365 2.025 10 0 CEAEHN CCC1(CN2CC[C@H](C)[S@](=O)CC2)CCOCC1 ZINC000336581556 365674038 /nfs/dbraw/zinc/67/40/38/365674038.db2.gz DWUZNWBJTFNSEJ-SCLBCKFNSA-N 0 3 273.442 2.036 10 0 CEAEHN COc1cc(C)c(/C=C/C(=O)N2CCCNCC2)c(C)c1 ZINC000096756001 185111745 /nfs/dbraw/zinc/11/17/45/185111745.db2.gz OVKQZGSLYDBLHG-AATRIKPKSA-N 0 3 288.391 2.147 10 0 CEAEHN COc1ccc(Br)cc1N1CCNC[C@H]1C ZINC000083086933 536638837 /nfs/dbraw/zinc/63/88/37/536638837.db2.gz JYKNSTAOLIGMBF-SECBINFHSA-N 0 3 285.185 2.256 10 0 CEAEHN CCc1cc(Br)cc2c1NC[C@@]21C[C@H]1N ZINC000725247823 539192589 /nfs/dbraw/zinc/19/25/89/539192589.db2.gz ZQBSQBCRIXWFJW-PWSUYJOCSA-N 0 3 267.170 2.406 10 0 CEAEHN CCN1C[C@@]2(C[C@H]2N)c2cc(Br)ccc21 ZINC000725247751 539192723 /nfs/dbraw/zinc/19/27/23/539192723.db2.gz XATMWTQASIIMGN-NEPJUHHUSA-N 0 3 267.170 2.258 10 0 CEAEHN C[C@H](c1cnn(CC2CCC2)c1)N1CCC[C@H](CO)C1 ZINC000725264281 539212712 /nfs/dbraw/zinc/21/27/12/539212712.db2.gz GZHCVUONMPDRKC-HIFRSBDPSA-N 0 3 277.412 2.449 10 0 CEAEHN Cc1ccc(CNC(=O)[C@@H]2C[C@H](C)CCN2)cc1F ZINC000126113993 187218241 /nfs/dbraw/zinc/21/82/41/187218241.db2.gz QBXDMFQUEBKHIA-YGRLFVJLSA-N 0 3 264.344 2.138 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000247005076 539270228 /nfs/dbraw/zinc/27/02/28/539270228.db2.gz NJNDLJJOVAMCIY-BHYGNILZSA-N 0 3 284.403 2.405 10 0 CEAEHN CCCCOC[C@@H](O)CN1CC[C@H](C(F)(F)F)C1 ZINC000310663507 539278976 /nfs/dbraw/zinc/27/89/76/539278976.db2.gz KMMRJUACMDZSOG-QWRGUYRKSA-N 0 3 269.307 2.048 10 0 CEAEHN N[C@@H]1CCC[S@@](=O)c2c(Br)cccc21 ZINC000040977262 362010119 /nfs/dbraw/zinc/01/01/19/362010119.db2.gz FCWPIJRWQWVDCS-OTYXRUKQSA-N 0 3 274.183 2.350 10 0 CEAEHN N[C@@H]1CCC[S@@](=O)c2ccc(Br)cc21 ZINC000040976805 362011210 /nfs/dbraw/zinc/01/12/10/362011210.db2.gz UOJJSRUFIXRPLF-OTYXRUKQSA-N 0 3 274.183 2.350 10 0 CEAEHN NCc1c(F)c(F)c(Br)c(F)c1F ZINC000044248629 362150067 /nfs/dbraw/zinc/15/00/67/362150067.db2.gz RHATXBXVRLKIMV-UHFFFAOYSA-N 0 3 258.012 2.464 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H](C)C1 ZINC000127346020 365743249 /nfs/dbraw/zinc/74/32/49/365743249.db2.gz KRXUXKVYPBYYGR-FZMZJTMJSA-N 0 3 264.413 2.268 10 0 CEAEHN Cc1ccc(NC(=O)C(C)(C)N2CCNCC2)cc1Cl ZINC000129572735 344344997 /nfs/dbraw/zinc/34/49/97/344344997.db2.gz QWEARZOLWJQCDI-UHFFFAOYSA-N 0 3 295.814 2.271 10 0 CEAEHN Cc1cccc(NC(=O)[C@@H](C)N)c1Br ZINC000131328239 344357431 /nfs/dbraw/zinc/35/74/31/344357431.db2.gz CJYGWJZPRZLWIZ-SSDOTTSWSA-N 0 3 257.131 2.043 10 0 CEAEHN C[C@@]1(C(=O)NCC(C2CC2)C2CC2)CCCCN1 ZINC000136190289 344383988 /nfs/dbraw/zinc/38/39/88/344383988.db2.gz VMVDYCVWFAMCDL-HNNXBMFYSA-N 0 3 250.386 2.071 10 0 CEAEHN C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000158682488 344452018 /nfs/dbraw/zinc/45/20/18/344452018.db2.gz KJFFUAQFLRYVNH-GXTWGEPZSA-N 0 3 278.371 2.167 10 0 CEAEHN Cc1cccc(CSCC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170860779 344491964 /nfs/dbraw/zinc/49/19/64/344491964.db2.gz BXYYVQAGQNKOQF-OAHLLOKOSA-N 0 3 292.448 2.391 10 0 CEAEHN NCc1cncc(OC(F)(F)F)c1Br ZINC000238571916 344606566 /nfs/dbraw/zinc/60/65/66/344606566.db2.gz GHFXBZJDBZNVFA-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN N[C@@H](C[C@H]1CCOC1)c1ccc(Br)o1 ZINC000306591807 344715020 /nfs/dbraw/zinc/71/50/20/344715020.db2.gz VUSOKYSSVQNKEI-SFYZADRCSA-N 0 3 260.131 2.469 10 0 CEAEHN Cn1ncc([C@H](N)C2CCCC2)c1Br ZINC000306805764 344717425 /nfs/dbraw/zinc/71/74/25/344717425.db2.gz IFGKGEICQYMGDO-SECBINFHSA-N 0 3 258.163 2.373 10 0 CEAEHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC1=NCCS1 ZINC000306889064 344718282 /nfs/dbraw/zinc/71/82/82/344718282.db2.gz WXBWTYZZQOVURU-JSGCOSHPSA-N 0 3 275.421 2.199 10 0 CEAEHN CN(Cc1cnn2ccccc12)C[C@@H]1CCc2nccn2C1 ZINC000328630924 344756654 /nfs/dbraw/zinc/75/66/54/344756654.db2.gz JXCBCFIJXOQGQA-AWEZNQCLSA-N 0 3 295.390 2.225 10 0 CEAEHN Fc1c(Cl)cccc1CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404255914 344878636 /nfs/dbraw/zinc/87/86/36/344878636.db2.gz LXLYYOFVGYDVBA-OLZOCXBDSA-N 0 3 284.762 2.042 10 0 CEAEHN COc1cccc([S@@](=O)C[C@@H](N)C(C)(C)C)c1 ZINC000084003280 178769952 /nfs/dbraw/zinc/76/99/52/178769952.db2.gz XAKWKUHJDMNOGH-SJKOYZFVSA-N 0 3 255.383 2.176 10 0 CEAEHN CCN[C@@H](C[S@](=O)CCOC)c1cc(C)ccc1OC ZINC000084035428 178774858 /nfs/dbraw/zinc/77/48/58/178774858.db2.gz ZSQCTFNQCHXCKM-XOBRGWDASA-N 0 3 299.436 2.049 10 0 CEAEHN CCOc1ccc([C@@H](O)[C@@H](C)N2CCCN(C)CC2)cc1 ZINC000584617097 344965995 /nfs/dbraw/zinc/96/59/95/344965995.db2.gz IAUOVIZMDZJGOS-PBHICJAKSA-N 0 3 292.423 2.145 10 0 CEAEHN COc1ccc([C@H](O)[C@H](C)N2CCCC2)cc1OC ZINC000584621122 344967262 /nfs/dbraw/zinc/96/72/62/344967262.db2.gz YPVVPFCGHPFNTN-XHDPSFHLSA-N 0 3 265.353 2.222 10 0 CEAEHN CN[C@H](C)C(=O)Nc1cc(Br)ccc1F ZINC000054072312 362508771 /nfs/dbraw/zinc/50/87/71/362508771.db2.gz DYLKHRFVYUIBQF-ZCFIWIBFSA-N 0 3 275.121 2.135 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000054073446 362509009 /nfs/dbraw/zinc/50/90/09/362509009.db2.gz GNYPXDYAAVQIMG-MRVPVSSYSA-N 0 3 276.258 2.174 10 0 CEAEHN CCn1cc(C2CCN(CCCC(=O)OC)CC2)cn1 ZINC000116389880 232200339 /nfs/dbraw/zinc/20/03/39/232200339.db2.gz RKQCRCLFLBROHP-UHFFFAOYSA-N 0 3 279.384 2.036 10 0 CEAEHN CCCn1nccc1[C@@H](N)Cn1cnc2ccccc21 ZINC000097184143 185557557 /nfs/dbraw/zinc/55/75/57/185557557.db2.gz MENBQZSUKAMOAG-LBPRGKRZSA-N 0 3 269.352 2.343 10 0 CEAEHN CN(C)C[C@H]1C[C@H](O)CN1c1ccc(C(F)(F)F)cc1 ZINC000097254492 185572367 /nfs/dbraw/zinc/57/23/67/185572367.db2.gz MBQKQRNNTVGZEL-OLZOCXBDSA-N 0 3 288.313 2.207 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](N)[C@@H]1CCc2cccnc21 ZINC000097305456 185582498 /nfs/dbraw/zinc/58/24/98/185582498.db2.gz LCBSLJXAIKVFDQ-GXTWGEPZSA-N 0 3 256.353 2.162 10 0 CEAEHN Cc1nc(C[C@@H](N)c2cnn(C)c2C)sc1C ZINC000097342822 185587303 /nfs/dbraw/zinc/58/73/03/185587303.db2.gz UVYKBEQIJJUBDY-LLVKDONJSA-N 0 3 250.371 2.044 10 0 CEAEHN CCn1nccc1[C@@H](NN)C1(N2CCCCC2)CCCC1 ZINC000097588667 185633807 /nfs/dbraw/zinc/63/38/07/185633807.db2.gz LNNJSHQRTHABPR-OAHLLOKOSA-N 0 3 291.443 2.206 10 0 CEAEHN CN[C@](CO)(COc1ccccc1)c1ccccc1 ZINC000085285229 179003034 /nfs/dbraw/zinc/00/30/34/179003034.db2.gz XNQYWWFVPNNBBC-MRXNPFEDSA-N 0 3 257.333 2.173 10 0 CEAEHN CCCN[C@H](CCO)c1cc(OC)ccc1OC ZINC000085320630 179014246 /nfs/dbraw/zinc/01/42/46/179014246.db2.gz GDDNIPXQALQIPA-CYBMUJFWSA-N 0 3 253.342 2.127 10 0 CEAEHN CCC[C@@H](N)C(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000236921784 136526733 /nfs/dbraw/zinc/52/67/33/136526733.db2.gz PWGZCANTNZYMSQ-CQSZACIVSA-N 0 3 287.407 2.377 10 0 CEAEHN CC(C)N1CCN(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000085431026 179059719 /nfs/dbraw/zinc/05/97/19/179059719.db2.gz OKLKNJJZTPKEBL-UHFFFAOYSA-N 0 3 271.368 2.002 10 0 CEAEHN CC(C)c1ncc(Cl)c(C(=O)N2CC[C@H](N(C)C)C2)n1 ZINC000062969379 362737246 /nfs/dbraw/zinc/73/72/46/362737246.db2.gz OYBQYXGSRZIZSM-JTQLQIEISA-N 0 3 296.802 2.030 10 0 CEAEHN CC[C@@H]1CN[C@@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085505603 179084038 /nfs/dbraw/zinc/08/40/38/179084038.db2.gz GJOKGJCBYLONQU-IAGOWNOFSA-N 0 3 284.407 2.345 10 0 CEAEHN Cc1ccc(F)c(O[C@H](C)C[C@](C)(NC2CC2)C(N)=O)c1 ZINC000085560173 179093612 /nfs/dbraw/zinc/09/36/12/179093612.db2.gz PPPPDJDDOIOKPW-BZNIZROVSA-N 0 3 294.370 2.288 10 0 CEAEHN CCN1CCC[C@@H](n2c(CC(C)C)nc3c2CCNC3)C1 ZINC000085572787 179098037 /nfs/dbraw/zinc/09/80/37/179098037.db2.gz OKVRWMHMJPLBMZ-CQSZACIVSA-N 0 3 290.455 2.384 10 0 CEAEHN CC(C)(C)c1nc2c(n1[C@H]1CCN(C3CC3)C1)CCNC2 ZINC000085573014 179098272 /nfs/dbraw/zinc/09/82/72/179098272.db2.gz HMGOEFMEGLYBMH-ZDUSSCGKSA-N 0 3 288.439 2.236 10 0 CEAEHN Cc1cnc(C)c(NCCCNCc2cccnc2)n1 ZINC000063197217 362759483 /nfs/dbraw/zinc/75/94/83/362759483.db2.gz KCNLFHWCMOXBJM-UHFFFAOYSA-N 0 3 271.368 2.080 10 0 CEAEHN Cc1cc([C@@H]2NC(=O)CC[C@H]2N)ccc1Br ZINC000085708897 179123108 /nfs/dbraw/zinc/12/31/08/179123108.db2.gz ICTYAQOOMIQBGV-PWSUYJOCSA-N 0 3 283.169 2.036 10 0 CEAEHN NCc1ccccc1NC(=O)c1cc(Br)c[nH]1 ZINC000085810194 179177558 /nfs/dbraw/zinc/17/75/58/179177558.db2.gz KPJBAXYPTXAJSL-UHFFFAOYSA-N 0 3 294.152 2.488 10 0 CEAEHN Cn1cc(Cl)cc1C(=O)Nc1ccccc1CN ZINC000085810065 179177806 /nfs/dbraw/zinc/17/78/06/179177806.db2.gz GSDNTQPEHBNBFF-UHFFFAOYSA-N 0 3 263.728 2.390 10 0 CEAEHN CCCc1ccc([C@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086019990 179217711 /nfs/dbraw/zinc/21/77/11/179217711.db2.gz QNBXTUVWPJBJGE-KBPBESRZSA-N 0 3 267.394 2.074 10 0 CEAEHN CC[C@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1C ZINC000086094714 179229596 /nfs/dbraw/zinc/22/95/96/179229596.db2.gz OCXSQSGHZWJVAH-SYAUCNOPSA-N 0 3 274.408 2.497 10 0 CEAEHN CCn1cc(N2C[C@H](C)NC[C@@H]2c2ccccc2)cn1 ZINC000086154281 179241468 /nfs/dbraw/zinc/24/14/68/179241468.db2.gz PLKZCGSWVTVTSK-XJKSGUPXSA-N 0 3 270.380 2.442 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccoc2C)[C@H](CC)CN1 ZINC000086446768 179296002 /nfs/dbraw/zinc/29/60/02/179296002.db2.gz HXMMQQKCWJDLDW-VXGBXAGGSA-N 0 3 250.342 2.191 10 0 CEAEHN CN[C@H]1CCCc2sc(N3CCN(C4CC4)CC3)nc21 ZINC000086443920 179293815 /nfs/dbraw/zinc/29/38/15/179293815.db2.gz PFWUCQKIHYNLPC-LBPRGKRZSA-N 0 3 292.452 2.024 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(F)cc1 ZINC000086446413 179294667 /nfs/dbraw/zinc/29/46/67/179294667.db2.gz PJMRTAHKBAKTFE-UONOGXRCSA-N 0 3 264.344 2.428 10 0 CEAEHN Cc1nn(C)c(C)c1-c1nc2c(s1)CCC[C@H]2N ZINC000086440352 179293021 /nfs/dbraw/zinc/29/30/21/179293021.db2.gz NHIIIHMQXVLCBV-SECBINFHSA-N 0 3 262.382 2.497 10 0 CEAEHN c1ccc2c(c1)C[C@@H]2c1nccc(CNC2CC2)n1 ZINC000086490712 179302271 /nfs/dbraw/zinc/30/22/71/179302271.db2.gz NERXHFLAZRXLOS-HNNXBMFYSA-N 0 3 251.333 2.417 10 0 CEAEHN COC(OC)[C@H](N)Cc1c(Cl)cccc1Cl ZINC000086451991 179296562 /nfs/dbraw/zinc/29/65/62/179296562.db2.gz RRRVFTIQIHTFEY-SNVBAGLBSA-N 0 3 264.152 2.482 10 0 CEAEHN C[C@@H]1CN[C@@H](C)CN1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000086468371 179299734 /nfs/dbraw/zinc/29/97/34/179299734.db2.gz MYMQQYLAMOWXRI-JCWGXCKPSA-N 0 3 291.439 2.347 10 0 CEAEHN CCOC(=O)C[C@@H](N)c1ccc(OC)c(Cl)c1 ZINC000086583497 179309024 /nfs/dbraw/zinc/30/90/24/179309024.db2.gz YJHVPVWTRSAGTC-SNVBAGLBSA-N 0 3 257.717 2.302 10 0 CEAEHN CN(CCNc1nc(Cl)ncc1Cl)C1CC1 ZINC000086622137 179311468 /nfs/dbraw/zinc/31/14/68/179311468.db2.gz UVQPOLCQBMEMGJ-UHFFFAOYSA-N 0 3 261.156 2.290 10 0 CEAEHN COC[C@H](N[C@@H](C)c1c(C)nn(C)c1C)C(C)C ZINC000086695241 179320553 /nfs/dbraw/zinc/32/05/53/179320553.db2.gz ULXLYOUZWLPOKP-GWCFXTLKSA-N 0 3 253.390 2.359 10 0 CEAEHN C[C@@H](N[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 ZINC000086670912 179317537 /nfs/dbraw/zinc/31/75/37/179317537.db2.gz MQYDORZNCBTQMT-HONMWMINSA-N 0 3 285.384 2.442 10 0 CEAEHN C[C@H](CN[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000086671484 179317707 /nfs/dbraw/zinc/31/77/07/179317707.db2.gz ORTOETBKKOKKQL-YUELXQCFSA-N 0 3 281.421 2.345 10 0 CEAEHN CCN(C)C(=O)CCN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000130361962 365948135 /nfs/dbraw/zinc/94/81/35/365948135.db2.gz JQSVVSJRCDQGLM-CQSZACIVSA-N 0 3 292.427 2.042 10 0 CEAEHN CN1CCC[C@](CO)(Nc2ccccc2F)CC1 ZINC000086834332 179349452 /nfs/dbraw/zinc/34/94/52/179349452.db2.gz CKVXBBOWOSAKCH-AWEZNQCLSA-N 0 3 252.333 2.084 10 0 CEAEHN CCCN1CCC[C@](N)(c2noc(C(F)(F)F)n2)CC1 ZINC000086851788 179360005 /nfs/dbraw/zinc/36/00/05/179360005.db2.gz YARXDLNUKAJXPV-LLVKDONJSA-N 0 3 292.305 2.138 10 0 CEAEHN CC(C)N1CCC[C@](C(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086867813 179360101 /nfs/dbraw/zinc/36/01/01/179360101.db2.gz AVNLFTIRUPFIPN-HNNXBMFYSA-N 0 3 268.401 2.190 10 0 CEAEHN CCC[C@@H]([NH2+][C@@H]1CCCN(CCC)CC1)C(=O)[O-] ZINC000086868671 179361731 /nfs/dbraw/zinc/36/17/31/179361731.db2.gz PXJJWANKMOMXFV-CHWSQXEVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN1CCC[C@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869067 179361901 /nfs/dbraw/zinc/36/19/01/179361901.db2.gz LYEGNWFJPPCKCL-AWEZNQCLSA-N 0 3 282.428 2.438 10 0 CEAEHN CC(C)N1CCC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868606 179362776 /nfs/dbraw/zinc/36/27/76/179362776.db2.gz BJSRDSXJFUFXSQ-UONOGXRCSA-N 0 3 268.401 2.188 10 0 CEAEHN CC(C)N1CCC[C@H]([N@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868606 179362777 /nfs/dbraw/zinc/36/27/77/179362777.db2.gz BJSRDSXJFUFXSQ-UONOGXRCSA-N 0 3 268.401 2.188 10 0 CEAEHN CCS(=O)(=O)CCCOc1cc(C)ccc1[C@H](C)N ZINC000086973106 179371480 /nfs/dbraw/zinc/37/14/80/179371480.db2.gz VINWEJUOXAJGDD-LBPRGKRZSA-N 0 3 285.409 2.218 10 0 CEAEHN COc1ccc([C@@H]2[C@H](N)CCC(=O)N2C(C)C)cc1F ZINC000086995171 179375868 /nfs/dbraw/zinc/37/58/68/179375868.db2.gz MKJPMHPZEUPUMN-IUODEOHRSA-N 0 3 280.343 2.234 10 0 CEAEHN C[C@H](NCC1(O)CCC(C)(C)CC1)c1cnccn1 ZINC000087046545 179387866 /nfs/dbraw/zinc/38/78/66/179387866.db2.gz OKWXFZAZSDCQLV-LBPRGKRZSA-N 0 3 263.385 2.459 10 0 CEAEHN C[C@H](NCC1(O)CCC(C)(C)CC1)c1cc[nH]n1 ZINC000087046474 179388312 /nfs/dbraw/zinc/38/83/12/179388312.db2.gz WURJEVTXDBNIHU-NSHDSACASA-N 0 3 251.374 2.392 10 0 CEAEHN CC[C@H](C[NH3+])C(=O)Nc1cc(Br)ccc1[O-] ZINC000087049225 179388860 /nfs/dbraw/zinc/38/88/60/179388860.db2.gz VLSCDIPDDLSDOB-SSDOTTSWSA-N 0 3 287.157 2.078 10 0 CEAEHN O=C(CNCC1(O)CCCCC1)Nc1ccccc1F ZINC000087029167 179382334 /nfs/dbraw/zinc/38/23/34/179382334.db2.gz FYQIGTIRDKQUBX-UHFFFAOYSA-N 0 3 280.343 2.049 10 0 CEAEHN CC(C)CNC(=O)[C@@H](C)NCC1(O)CCC(C)(C)CC1 ZINC000087063492 179390068 /nfs/dbraw/zinc/39/00/68/179390068.db2.gz VZBPKFIUVWTZFV-CYBMUJFWSA-N 0 3 284.444 2.068 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087090222 179394208 /nfs/dbraw/zinc/39/42/08/179394208.db2.gz ASSNDCNXAOXTCG-IUODEOHRSA-N 0 3 263.337 2.287 10 0 CEAEHN C[C@H](O)[C@H](C)Oc1ccc(Br)cc1CN ZINC000087125348 179396513 /nfs/dbraw/zinc/39/65/13/179396513.db2.gz CEUGAWHHDFALBX-YUMQZZPRSA-N 0 3 274.158 2.056 10 0 CEAEHN CN[C@@H](C)c1c(C)nn(CC[C@@H]2CCCO2)c1C ZINC000087277016 179407180 /nfs/dbraw/zinc/40/71/80/179407180.db2.gz UCXSCBRICBFLJU-GWCFXTLKSA-N 0 3 251.374 2.349 10 0 CEAEHN CCC[NH2+]Cc1cc(=O)[n-]c(CSC(C)(C)C)n1 ZINC000087120843 179396272 /nfs/dbraw/zinc/39/62/72/179396272.db2.gz CMNIDQXOHVHMKE-UHFFFAOYSA-N 0 3 269.414 2.301 10 0 CEAEHN CNc1snc(C)c1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000128909314 187398131 /nfs/dbraw/zinc/39/81/31/187398131.db2.gz NBMLAECTBPFABY-LLVKDONJSA-N 0 3 298.456 2.199 10 0 CEAEHN CCN1CCOC[C@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616660405 348551707 /nfs/dbraw/zinc/55/17/07/348551707.db2.gz MFGWAYVQIRZQDH-CQSZACIVSA-N 0 3 262.353 2.081 10 0 CEAEHN c1c[nH]c([C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000616652127 348548562 /nfs/dbraw/zinc/54/85/62/348548562.db2.gz IUDMIHBQDGYWBY-AWEZNQCLSA-N 0 3 257.337 2.373 10 0 CEAEHN CC(C)(C)N1CCCO[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616653666 348549278 /nfs/dbraw/zinc/54/92/78/348549278.db2.gz SUKYKEYHYGKHAG-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN N[C@H](Cc1ccsc1)[C@H]1COc2ccccc2O1 ZINC000087858926 179503392 /nfs/dbraw/zinc/50/33/92/179503392.db2.gz OZTWOLPVKSINQO-BXUZGUMPSA-N 0 3 261.346 2.458 10 0 CEAEHN CC(C)(C)N1CCOC[C@H](c2ccccc2CO)C1 ZINC000616659400 348551249 /nfs/dbraw/zinc/55/12/49/348551249.db2.gz JHDQDLPQBZPBFJ-CQSZACIVSA-N 0 3 263.381 2.393 10 0 CEAEHN OCCN1CCC[C@@H](c2cccc3ccncc32)C1 ZINC000616608849 348533736 /nfs/dbraw/zinc/53/37/36/348533736.db2.gz FGCAKEYCXFSBKW-CQSZACIVSA-N 0 3 256.349 2.407 10 0 CEAEHN CC[C@H]1CCC[C@@H](Oc2nc(NN)ncc2C)C1 ZINC000087890670 179514210 /nfs/dbraw/zinc/51/42/10/179514210.db2.gz QUHKVJMKHBUPJK-WDEREUQCSA-N 0 3 250.346 2.418 10 0 CEAEHN CC(C)(NC(=O)C1(N)CC1)c1ccc(Br)cc1 ZINC000088129788 179553104 /nfs/dbraw/zinc/55/31/04/179553104.db2.gz GTJGDAWMGPCCLO-UHFFFAOYSA-N 0 3 297.196 2.292 10 0 CEAEHN Nc1cc([C@@H]2CCN(Cc3ccccc3)CCO2)ccn1 ZINC000616663405 348553876 /nfs/dbraw/zinc/55/38/76/348553876.db2.gz HEXSCIWPZLJCKC-INIZCTEOSA-N 0 3 283.375 2.458 10 0 CEAEHN C[C@H](c1ccccc1Cl)N(C)C[C@@H]1COCCN1 ZINC000088372990 179587077 /nfs/dbraw/zinc/58/70/77/179587077.db2.gz MDWRWXRGNGDNKU-VXGBXAGGSA-N 0 3 268.788 2.321 10 0 CEAEHN CCc1nn(C)c(CNC[C@@H]2CCCC[C@@H]2O)c1Cl ZINC000089319297 179768479 /nfs/dbraw/zinc/76/84/79/179768479.db2.gz WLNHCJBHWIJPGI-GWCFXTLKSA-N 0 3 285.819 2.277 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)NC1=O)c1ccc2ccccc2c1 ZINC000089755913 179861940 /nfs/dbraw/zinc/86/19/40/179861940.db2.gz HQOLEQGIHQUKRV-XHDPSFHLSA-N 0 3 282.343 2.296 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1csc(C(F)(F)F)c1 ZINC000623768397 350107834 /nfs/dbraw/zinc/10/78/34/350107834.db2.gz UZEPJWYYPBKCMU-DTWKUNHWSA-N 0 3 281.299 2.006 10 0 CEAEHN CCCNCc1c(C)nn(C)c1SCCCOC ZINC000104438343 186001943 /nfs/dbraw/zinc/00/19/43/186001943.db2.gz XTCFGEYKTXWASH-UHFFFAOYSA-N 0 3 271.430 2.357 10 0 CEAEHN CC(C)CCN(CCC(C)C)C(=O)[C@@]1(C)COC[C@H]1N ZINC000090591434 180010384 /nfs/dbraw/zinc/01/03/84/180010384.db2.gz AJTAXNBCDGIFKK-ZBFHGGJFSA-N 0 3 284.444 2.271 10 0 CEAEHN CC(C)C(=O)N1CCCSC[C@H]1CN1CCCCC1 ZINC000090701267 180027947 /nfs/dbraw/zinc/02/79/47/180027947.db2.gz YVKZJVHBUFKHBN-CQSZACIVSA-N 0 3 284.469 2.462 10 0 CEAEHN CCOc1ccc(Nc2cc(OC)ncn2)cc1CN ZINC000090783989 180039241 /nfs/dbraw/zinc/03/92/41/180039241.db2.gz MLRLANRDJSKFDU-UHFFFAOYSA-N 0 3 274.324 2.086 10 0 CEAEHN C[C@H](NC[C@H](C)[S@](C)=O)c1cc(F)cc(F)c1 ZINC000090843192 180044215 /nfs/dbraw/zinc/04/42/15/180044215.db2.gz WONDSUMTIUPQNY-IRWWLHRVSA-N 0 3 261.337 2.382 10 0 CEAEHN CC(=O)[C@@H]1CCCN(C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893211 180054980 /nfs/dbraw/zinc/05/49/80/180054980.db2.gz CTMHWNPVIPYPCS-DOMZBBRYSA-N 0 3 277.339 2.430 10 0 CEAEHN CCOC(=O)CCN(C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900855 180059179 /nfs/dbraw/zinc/05/91/79/180059179.db2.gz MDSQJDRJLOHROB-AWEZNQCLSA-N 0 3 277.364 2.184 10 0 CEAEHN CCCOc1cccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905815 180060693 /nfs/dbraw/zinc/06/06/93/180060693.db2.gz SXXMOGQTQXPYHP-BBWFWOEESA-N 0 3 290.407 2.338 10 0 CEAEHN CN[C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cc(C)ccc1OC ZINC000090906133 180060837 /nfs/dbraw/zinc/06/08/37/180060837.db2.gz AQCYVJLLFYJZNX-IJEWVQPXSA-N 0 3 290.407 2.127 10 0 CEAEHN Cc1cc(C)cc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905754 180061334 /nfs/dbraw/zinc/06/13/34/180061334.db2.gz MCPZNFZWWWEWLP-OWCLPIDISA-N 0 3 260.381 2.166 10 0 CEAEHN CCOC[C@H](C)NCc1sccc1NC(C)=O ZINC000090960519 180075518 /nfs/dbraw/zinc/07/55/18/180075518.db2.gz ALVFWNJABCWREM-VIFPVBQESA-N 0 3 256.371 2.221 10 0 CEAEHN CCOC(=O)CCCNCc1ccccc1NC(C)=O ZINC000090962764 180076981 /nfs/dbraw/zinc/07/69/81/180076981.db2.gz GDMVSRZNMMZKIH-UHFFFAOYSA-N 0 3 278.352 2.078 10 0 CEAEHN CCn1c(C[C@@H]2CSCCN2)nc2ccc(F)cc21 ZINC000091128656 180100066 /nfs/dbraw/zinc/10/00/66/180100066.db2.gz NTIOZRLFSDYLGY-LLVKDONJSA-N 0 3 279.384 2.443 10 0 CEAEHN c1nn(-c2ccccn2)c(C2CC2)c1CNC1CC1 ZINC000091335664 180136271 /nfs/dbraw/zinc/13/62/71/180136271.db2.gz WQVFATPABZVYPV-UHFFFAOYSA-N 0 3 254.337 2.397 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)cn1 ZINC000091358866 180140719 /nfs/dbraw/zinc/14/07/19/180140719.db2.gz UKXMWRCZGZKCRR-UBHSHLNASA-N 0 3 289.379 2.340 10 0 CEAEHN COc1ccc(OC)c([C@H](N)CSC[C@H](C)CO)c1 ZINC000091261627 180115965 /nfs/dbraw/zinc/11/59/65/180115965.db2.gz URUVTHDCQMBBPH-ZWNOBZJWSA-N 0 3 285.409 2.065 10 0 CEAEHN CN(Cc1ccc(F)cc1)[C@H](CN)c1cncn1C1CC1 ZINC000091276318 180119655 /nfs/dbraw/zinc/11/96/55/180119655.db2.gz CUKTUKDMABHJGH-OAHLLOKOSA-N 0 3 288.370 2.489 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1cncn1C ZINC000091278450 180120841 /nfs/dbraw/zinc/12/08/41/180120841.db2.gz ABPUVOONXMGICN-JTQLQIEISA-N 0 3 263.316 2.419 10 0 CEAEHN CCN[C@H]1COc2cc(OCc3cncn3C)ccc21 ZINC000091278469 180120957 /nfs/dbraw/zinc/12/09/57/180120957.db2.gz RREHFORVZHMTJG-AWEZNQCLSA-N 0 3 273.336 2.042 10 0 CEAEHN Cc1ccc2c(c1)nc(C[C@H]1CNCCO1)n2C(C)C ZINC000091293202 180124161 /nfs/dbraw/zinc/12/41/61/180124161.db2.gz PLFHCWJNCRLGHV-ZDUSSCGKSA-N 0 3 273.380 2.457 10 0 CEAEHN CCNc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000091430424 180153186 /nfs/dbraw/zinc/15/31/86/180153186.db2.gz RSSUUALAVCZABI-OAHLLOKOSA-N 0 3 275.396 2.285 10 0 CEAEHN CN(C)[C@H]1CCCN(c2nc(C3CC3)c(C=O)s2)C1 ZINC000091449312 180157307 /nfs/dbraw/zinc/15/73/07/180157307.db2.gz CUFDLNKBOFIQAN-NSHDSACASA-N 0 3 279.409 2.363 10 0 CEAEHN COCCNC[C@H](O)Cc1c(Cl)cccc1Cl ZINC000091467715 180164431 /nfs/dbraw/zinc/16/44/31/180164431.db2.gz HIXXCEJUZFWRQR-SECBINFHSA-N 0 3 278.179 2.133 10 0 CEAEHN Cc1cc([C@H]2[C@H](N)CCC(=O)N2C)ccc1Br ZINC000091476128 180166354 /nfs/dbraw/zinc/16/63/54/180166354.db2.gz BUODJWXZSIDFLS-YPMHNXCESA-N 0 3 297.196 2.378 10 0 CEAEHN CCNCc1cncc(N(C)[C@H](C)CC(C)C)n1 ZINC000091420766 180150512 /nfs/dbraw/zinc/15/05/12/180150512.db2.gz PGVWYXGRXJBVQN-GFCCVEGCSA-N 0 3 250.390 2.457 10 0 CEAEHN CC(C)CNCc1cncc(-n2cc(Cl)cn2)n1 ZINC000091422416 180151348 /nfs/dbraw/zinc/15/13/48/180151348.db2.gz LTWBNPHGTPZHMG-UHFFFAOYSA-N 0 3 265.748 2.061 10 0 CEAEHN CCCN[C@H](c1ccco1)C(C)(C)N1CCOCC1 ZINC000091567141 180194933 /nfs/dbraw/zinc/19/49/33/180194933.db2.gz SPXODUXBHQWFTB-CQSZACIVSA-N 0 3 266.385 2.431 10 0 CEAEHN CCN(CC)[C@](C)(CC)[C@H](NC)c1nccn1C ZINC000091599369 180202402 /nfs/dbraw/zinc/20/24/02/180202402.db2.gz XNMCTUSIGWCWMM-TZMCWYRMSA-N 0 3 252.406 2.191 10 0 CEAEHN CCN[C@H](c1ccnn1CC)[C@](C)(CC)N1CCOCC1 ZINC000091612785 180207090 /nfs/dbraw/zinc/20/70/90/180207090.db2.gz SJEDEGIJKMAENT-CVEARBPZSA-N 0 3 294.443 2.055 10 0 CEAEHN CC[C@@](C)([C@@H](NC)c1ccoc1)N1CCOCC1 ZINC000091612631 180207404 /nfs/dbraw/zinc/20/74/04/180207404.db2.gz XPJYHSHDDHTVSS-KBPBESRZSA-N 0 3 252.358 2.041 10 0 CEAEHN CCCn1nccc1[C@H](NCC)C(C)(C)N(C)C ZINC000091529022 180180504 /nfs/dbraw/zinc/18/05/04/180180504.db2.gz VCNBMGCFUNFNBD-ZDUSSCGKSA-N 0 3 252.406 2.284 10 0 CEAEHN N[C@H](c1cnccn1)C1(N2CCCCC2)CCCC1 ZINC000091641852 180213194 /nfs/dbraw/zinc/21/31/94/180213194.db2.gz JYHTVLZYVGNYTG-CQSZACIVSA-N 0 3 260.385 2.275 10 0 CEAEHN N[C@H](c1cccc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091642984 180214228 /nfs/dbraw/zinc/21/42/28/180214228.db2.gz LLSFIFSTNAQOIE-OAHLLOKOSA-N 0 3 278.371 2.471 10 0 CEAEHN CCN[C@H](c1nccn1C)C1(N(C)C)CCCCC1 ZINC000091647801 180215832 /nfs/dbraw/zinc/21/58/32/180215832.db2.gz SLTUBSXJAARSAI-CYBMUJFWSA-N 0 3 264.417 2.335 10 0 CEAEHN Nc1cccc(Cl)c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091662648 180219619 /nfs/dbraw/zinc/21/96/19/180219619.db2.gz NTMCVWYJHZEAAI-MNOVXSKESA-N 0 3 281.787 2.197 10 0 CEAEHN CN1CCO[C@H](CN[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000091666789 180222649 /nfs/dbraw/zinc/22/26/49/180222649.db2.gz PJRFBFWLIYTPHJ-HZPDHXFCSA-N 0 3 278.371 2.197 10 0 CEAEHN CN[C@H](c1ccc(C(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717733 180232206 /nfs/dbraw/zinc/23/22/06/180232206.db2.gz HXCBFCXERNBILJ-HZPDHXFCSA-N 0 3 262.397 2.401 10 0 CEAEHN CCN[C@H](c1cnc2ccccc2c1)[C@H]1CN(C)CCO1 ZINC000091718669 180233309 /nfs/dbraw/zinc/23/33/09/180233309.db2.gz IUVUAQWRCYMGGX-IAGOWNOFSA-N 0 3 285.391 2.216 10 0 CEAEHN CCCN[C@@H](c1ccccc1C)[C@@H]1CN(C)CCO1 ZINC000091718934 180233515 /nfs/dbraw/zinc/23/35/15/180233515.db2.gz NPXKSYLMOPMWAB-HOTGVXAUSA-N 0 3 262.397 2.366 10 0 CEAEHN CCCN[C@H](c1ccc(OC)c(F)c1)[C@H]1CN(C)CCO1 ZINC000091719521 180234559 /nfs/dbraw/zinc/23/45/59/180234559.db2.gz HJCCAQZMLDZTMR-HZPDHXFCSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccccc1Cl ZINC000624235437 350239572 /nfs/dbraw/zinc/23/95/72/350239572.db2.gz KHXTVOQVMMXNGM-BIMULSAOSA-N 0 3 255.745 2.140 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1ccc(Cl)c(F)c1 ZINC000624238164 350241137 /nfs/dbraw/zinc/24/11/37/350241137.db2.gz LRZWZZDWZCSGOO-AQUOVQTQSA-N 0 3 273.735 2.280 10 0 CEAEHN CCN[C@H](c1ccccc1OC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721585 180238658 /nfs/dbraw/zinc/23/86/58/180238658.db2.gz RBGIWZZOPKUQDI-XOKHGSTOSA-N 0 3 290.407 2.209 10 0 CEAEHN CCCNCc1cnc([C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722439 180240570 /nfs/dbraw/zinc/24/05/70/180240570.db2.gz GLNJQJNCIYGBEP-DGCLKSJQSA-N 0 3 281.425 2.178 10 0 CEAEHN Cc1cc(C)c(CNC[C@@H]2CN(C)CCO2)cc1C ZINC000105472424 186058804 /nfs/dbraw/zinc/05/88/04/186058804.db2.gz RPDXFXFLOWVURF-MRXNPFEDSA-N 0 3 262.397 2.032 10 0 CEAEHN C[C@H](C(=O)NC1CCCCC1)N(C)C1CCC(=O)CC1 ZINC000091854086 180273930 /nfs/dbraw/zinc/27/39/30/180273930.db2.gz NBZREIAYLZVFAF-GFCCVEGCSA-N 0 3 280.412 2.267 10 0 CEAEHN CCN(C(=O)c1cccc(OC)c1[O-])C1CCC([NH3+])CC1 ZINC000091850391 180271913 /nfs/dbraw/zinc/27/19/13/180271913.db2.gz FHDBNYAYTFWPKM-UHFFFAOYSA-N 0 3 292.379 2.133 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)N1CCCCCC1 ZINC000091971677 180295659 /nfs/dbraw/zinc/29/56/59/180295659.db2.gz MGRBLUJOOZGFRM-UONOGXRCSA-N 0 3 267.417 2.445 10 0 CEAEHN C[C@@H](c1ccncc1)N(C)C[C@H](O)COC(C)(C)C ZINC000091986630 180298176 /nfs/dbraw/zinc/29/81/76/180298176.db2.gz GNSRSKCKACCXKK-JSGCOSHPSA-N 0 3 266.385 2.250 10 0 CEAEHN CCCCNC(=O)[C@@H](C)Oc1ccc(C)nc1CNCC ZINC000091994877 180301002 /nfs/dbraw/zinc/30/10/02/180301002.db2.gz QKXMZYVZAIPVQD-CYBMUJFWSA-N 0 3 293.411 2.183 10 0 CEAEHN CNCc1nc(C)ccc1OCCOCC(F)(F)F ZINC000091994364 180301482 /nfs/dbraw/zinc/30/14/82/180301482.db2.gz GEZCHWPHYASPHN-UHFFFAOYSA-N 0 3 278.274 2.067 10 0 CEAEHN COC(=O)[C@H](C)Oc1ccc(C)nc1CNC(C)(C)C ZINC000091996241 180301735 /nfs/dbraw/zinc/30/17/35/180301735.db2.gz BVLQQRKBGJKEKD-NSHDSACASA-N 0 3 280.368 2.218 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+]C2(CO)CCC(C)CC2)n1 ZINC000091995314 180301952 /nfs/dbraw/zinc/30/19/52/180301952.db2.gz LBBYRZQYZVFJGE-UHFFFAOYSA-N 0 3 264.369 2.126 10 0 CEAEHN CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116057 180327139 /nfs/dbraw/zinc/32/71/39/180327139.db2.gz IXQSUVFMDIHJKZ-SNVBAGLBSA-N 0 3 288.388 2.141 10 0 CEAEHN CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115644 180327284 /nfs/dbraw/zinc/32/72/84/180327284.db2.gz WXMGLYZPDMUSKH-SNVBAGLBSA-N 0 3 288.388 2.094 10 0 CEAEHN CN[C@H](c1ccc2c(c1)OCCO2)C(C)(C)OC ZINC000092138972 180333588 /nfs/dbraw/zinc/33/35/88/180333588.db2.gz PFJHKMUYCUEZBW-CYBMUJFWSA-N 0 3 251.326 2.143 10 0 CEAEHN COCCNCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000105674525 186068260 /nfs/dbraw/zinc/06/82/60/186068260.db2.gz BFZYBAVUCLFFPO-AWEZNQCLSA-N 0 3 292.423 2.298 10 0 CEAEHN CNCc1cnc(C)n1C[C@H]1COc2ccccc21 ZINC000092306745 180360637 /nfs/dbraw/zinc/36/06/37/180360637.db2.gz BDQGWVVBQNCDIB-LBPRGKRZSA-N 0 3 257.337 2.087 10 0 CEAEHN CCN[C@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1C ZINC000105832569 186075618 /nfs/dbraw/zinc/07/56/18/186075618.db2.gz NVSWKBYQPQCPOT-GXTWGEPZSA-N 0 3 274.364 2.041 10 0 CEAEHN CCOC(=O)[C@H]1CCCN(C[C@@H]2COc3ccccc32)C1 ZINC000092305656 180360733 /nfs/dbraw/zinc/36/07/33/180360733.db2.gz RSRVGZICGCJEPB-UONOGXRCSA-N 0 3 289.375 2.438 10 0 CEAEHN CN[C@@H](CN1C(=O)C[C@@H](C)C1=O)c1cc2ccccc2o1 ZINC000105832499 186076484 /nfs/dbraw/zinc/07/64/84/186076484.db2.gz GMBCHMROBHDBCF-PWSUYJOCSA-N 0 3 286.331 2.088 10 0 CEAEHN COc1cccc(CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105919692 186089906 /nfs/dbraw/zinc/08/99/06/186089906.db2.gz OSMBHNDSFXFMNO-OAHLLOKOSA-N 0 3 286.379 2.199 10 0 CEAEHN CC[C@H](c1ccccc1)N1CCO[C@H](CN(C)C)C1 ZINC000105924495 186090473 /nfs/dbraw/zinc/09/04/73/186090473.db2.gz IXXLOUPXPPLRHR-HZPDHXFCSA-N 0 3 262.397 2.400 10 0 CEAEHN CCNc1cccc(CN2CCC(COC)CC2)n1 ZINC000092370958 180369711 /nfs/dbraw/zinc/36/97/11/180369711.db2.gz CYTPGZHJPDFVOC-UHFFFAOYSA-N 0 3 263.385 2.372 10 0 CEAEHN CCNc1cccc(CN2CCN(C(C)(C)C)CC2)n1 ZINC000092369763 180370066 /nfs/dbraw/zinc/37/00/66/180370066.db2.gz ZINONFVMNQRRRV-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CCN[C@]1(CC(=O)OC)CCCc2ccc(OC)cc21 ZINC000092390505 180375443 /nfs/dbraw/zinc/37/54/43/180375443.db2.gz KDXIXLNRFODHEC-INIZCTEOSA-N 0 3 277.364 2.399 10 0 CEAEHN CC[C@@H](C)NC(=O)CCNC1=N[C@@H](C(C)C)CS1 ZINC000092402520 180378473 /nfs/dbraw/zinc/37/84/73/180378473.db2.gz FECPZVYFKDWHTD-GHMZBOCLSA-N 0 3 271.430 2.008 10 0 CEAEHN CCCNc1ccnc(CN(C)CC(=O)N(CC)CC)c1 ZINC000092418780 180381132 /nfs/dbraw/zinc/38/11/32/180381132.db2.gz GNEZBGRNXFMCFN-UHFFFAOYSA-N 0 3 292.427 2.204 10 0 CEAEHN Cc1ccc([C@@H](C)NCC(C)(C)NS(C)(=O)=O)s1 ZINC000109041630 186241595 /nfs/dbraw/zinc/24/15/95/186241595.db2.gz FQPHQKBAURLRFA-SNVBAGLBSA-N 0 3 290.454 2.035 10 0 CEAEHN COC[C@H](N)Cc1nc([C@@H]2CCCc3ccccc32)no1 ZINC000109514928 186258405 /nfs/dbraw/zinc/25/84/05/186258405.db2.gz YCFAKEJFIKQIGK-TZMCWYRMSA-N 0 3 287.363 2.054 10 0 CEAEHN O=C(CN[C@H]1CCCOC1)Nc1ccccc1Cl ZINC000109546796 186261764 /nfs/dbraw/zinc/26/17/64/186261764.db2.gz JDMRBUHOAFFZDB-JTQLQIEISA-N 0 3 268.744 2.047 10 0 CEAEHN CCC[C@@H](C)CN1CCN([C@H](CC)C(N)=S)CC1 ZINC000109469410 186253981 /nfs/dbraw/zinc/25/39/81/186253981.db2.gz OYJBZVTVBBHLDI-CHWSQXEVSA-N 0 3 271.474 2.105 10 0 CEAEHN CCN[C@@](C)(CN(CCC(C)C)C1CC1)C(=O)OC ZINC000109956401 186280740 /nfs/dbraw/zinc/28/07/40/186280740.db2.gz UKZBRBAZDMIECS-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN1CCC[C@@H](Nc2cc(OC)c(F)cc2N)C1 ZINC000110626889 186306361 /nfs/dbraw/zinc/30/63/61/186306361.db2.gz LSENRJICLDFKRU-SNVBAGLBSA-N 0 3 267.348 2.313 10 0 CEAEHN CCCN1CCN(c2cc(OCC)c(F)cc2N)CC1 ZINC000110920427 186331999 /nfs/dbraw/zinc/33/19/99/186331999.db2.gz BMEPHWRISSLZHJ-UHFFFAOYSA-N 0 3 281.375 2.339 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1O[C@H]1CCOC1=O ZINC000110960785 186338026 /nfs/dbraw/zinc/33/80/26/186338026.db2.gz DQTQXWGMRJQRKB-YPMHNXCESA-N 0 3 263.337 2.360 10 0 CEAEHN NC[C@H](Oc1ccccc1CO)c1ccccc1F ZINC000110992708 186340081 /nfs/dbraw/zinc/34/00/81/186340081.db2.gz HLFVVHNXALIAHS-HNNXBMFYSA-N 0 3 261.296 2.397 10 0 CEAEHN C[C@H]1CN(Cc2cc(N)ccc2Cl)CCN1C ZINC000110700729 186314200 /nfs/dbraw/zinc/31/42/00/186314200.db2.gz JAYPOOLAWFDQGZ-JTQLQIEISA-N 0 3 253.777 2.058 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2ccc([C@@H]3C[C@@H]3C)o2)CCN1C ZINC000110710531 186315439 /nfs/dbraw/zinc/31/54/39/186315439.db2.gz MXTBPAZAFRIGEY-XQLPTFJDSA-N 0 3 291.439 2.429 10 0 CEAEHN CCNc1cc(CN2CCN(C)[C@@H](CC)C2)ccn1 ZINC000110743109 186319113 /nfs/dbraw/zinc/31/91/13/186319113.db2.gz CYHOMRYQLLXHMC-AWEZNQCLSA-N 0 3 262.401 2.039 10 0 CEAEHN CC(C)NCc1occc1CN1CCN(C)C(C)(C)C1 ZINC000110754804 186322193 /nfs/dbraw/zinc/32/21/93/186322193.db2.gz MUKFJVUSKADKIE-UHFFFAOYSA-N 0 3 279.428 2.304 10 0 CEAEHN CCCO[C@@H]1CCCN(CC(OCC)OCC)C1 ZINC000110783462 186324071 /nfs/dbraw/zinc/32/40/71/186324071.db2.gz DGSBUTYXLCLEHQ-CYBMUJFWSA-N 0 3 259.390 2.277 10 0 CEAEHN CN1CCCC[C@H]1CNC(=O)c1c(N)cccc1Cl ZINC000111012097 186342962 /nfs/dbraw/zinc/34/29/62/186342962.db2.gz KWPNTSNUBZCUHT-JTQLQIEISA-N 0 3 281.787 2.136 10 0 CEAEHN CCNc1ccc(C(=O)N(C)CCN(C)C)cc1C ZINC000111151500 186361004 /nfs/dbraw/zinc/36/10/04/186361004.db2.gz DAOXERDWOVVZHM-UHFFFAOYSA-N 0 3 263.385 2.060 10 0 CEAEHN CN(C)CCN(C)c1nc2c(s1)[C@H](O)CC(C)(C)C2 ZINC000111151541 186361008 /nfs/dbraw/zinc/36/10/08/186361008.db2.gz DZSDUWKVPNIGNR-LLVKDONJSA-N 0 3 283.441 2.147 10 0 CEAEHN CN(C[C@H]1CCCOC1)c1nc2c(cc1CN)CCCC2 ZINC000111153744 186359726 /nfs/dbraw/zinc/35/97/26/186359726.db2.gz VTAVKQVVMRVTBJ-CYBMUJFWSA-N 0 3 289.423 2.282 10 0 CEAEHN Cc1ccc([C@H](CN)Sc2nnc(N(C)C)s2)o1 ZINC000111315414 186396311 /nfs/dbraw/zinc/39/63/11/186396311.db2.gz OJCMEDUKCQNAAS-VIFPVBQESA-N 0 3 284.410 2.298 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@@H](C)COC ZINC000251850441 539808714 /nfs/dbraw/zinc/80/87/14/539808714.db2.gz RSGVMGKRZWMWHP-KFWWJZLASA-N 0 3 254.418 2.218 10 0 CEAEHN CCC1CCC(CNC(=O)c2ccc(CN)cn2)CC1 ZINC000111282151 186387738 /nfs/dbraw/zinc/38/77/38/186387738.db2.gz GSLAHWPFHRTFII-UHFFFAOYSA-N 0 3 275.396 2.487 10 0 CEAEHN Cc1cc(NC(=O)c2ccc(CN)cn2)ccc1F ZINC000111282381 186389722 /nfs/dbraw/zinc/38/97/22/186389722.db2.gz HOWBFJQCVUTLQK-UHFFFAOYSA-N 0 3 259.284 2.240 10 0 CEAEHN Cc1cccc(C(=O)N[C@@]2(C[NH3+])CCC[C@@H](C)C2)c1[O-] ZINC000111370083 186407296 /nfs/dbraw/zinc/40/72/96/186407296.db2.gz AVWQHKFATKIBRW-BZNIZROVSA-N 0 3 276.380 2.338 10 0 CEAEHN NCc1ccc(Cl)cc1N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111382832 186410781 /nfs/dbraw/zinc/41/07/81/186410781.db2.gz DROWMGVZPUDRPS-FUNVUKJBSA-N 0 3 266.772 2.291 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(c2ccccc2)CC1 ZINC000113233842 186563360 /nfs/dbraw/zinc/56/33/60/186563360.db2.gz YTUCPHIMDTVKCZ-GDBMZVCRSA-N 0 3 284.403 2.413 10 0 CEAEHN CS[C@@H](C)CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000120785991 186925536 /nfs/dbraw/zinc/92/55/36/186925536.db2.gz QUPNSNNJEHFGTM-GXTWGEPZSA-N 0 3 295.452 2.340 10 0 CEAEHN Cc1ocnc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000121579832 186982295 /nfs/dbraw/zinc/98/22/95/186982295.db2.gz IFMVKBIWPKJJKO-CYBMUJFWSA-N 0 3 273.336 2.016 10 0 CEAEHN C[C@@H](NC[C@H](C)N1CCOCC1)c1cc(F)cc(F)c1 ZINC000123401602 187089752 /nfs/dbraw/zinc/08/97/52/187089752.db2.gz UGEWEMIKKHLVHQ-NWDGAFQWSA-N 0 3 284.350 2.336 10 0 CEAEHN CCC[C@H](C(=O)N1CCS[C@@H](CC)C1)N(C)C ZINC000123622206 187101039 /nfs/dbraw/zinc/10/10/39/187101039.db2.gz BQZQFSJQZZPWLH-NWDGAFQWSA-N 0 3 258.431 2.071 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC1(C2CC2)CC1 ZINC000123825824 187110691 /nfs/dbraw/zinc/11/06/91/187110691.db2.gz PTBNUAIGZJRXQO-AWEZNQCLSA-N 0 3 279.428 2.302 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)c1ccccc1F ZINC000092632913 539827377 /nfs/dbraw/zinc/82/73/77/539827377.db2.gz FHCRWPPPLGHYNJ-ZDUSSCGKSA-N 0 3 278.371 2.425 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2)C1 ZINC000071140005 363109087 /nfs/dbraw/zinc/10/90/87/363109087.db2.gz ZNWTXAOXSUKMEX-GFCCVEGCSA-N 0 3 297.196 2.225 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000249109713 539863273 /nfs/dbraw/zinc/86/32/73/539863273.db2.gz MSZBBMMGRVJINQ-RRFJBIMHSA-N 0 3 290.407 2.329 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H]2CCCNC(=O)C2)cc1F ZINC000094955419 539888455 /nfs/dbraw/zinc/88/84/55/539888455.db2.gz PXUYTMQBQLWMIR-AAEUAGOBSA-N 0 3 264.344 2.453 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000252739816 539897211 /nfs/dbraw/zinc/89/72/11/539897211.db2.gz HXCVGKHFSIMWIW-ABAIWWIYSA-N 0 3 284.350 2.336 10 0 CEAEHN CC[C@H](NC[C@H]1CN(C)CCO1)c1ccc(F)cc1F ZINC000154953054 188172588 /nfs/dbraw/zinc/17/25/88/188172588.db2.gz BVBKIMSQXZFYKV-WFASDCNBSA-N 0 3 284.350 2.336 10 0 CEAEHN CC[C@@H](CCO)N[C@H](C)c1c(C)nn(CC)c1C ZINC000131906974 366098251 /nfs/dbraw/zinc/09/82/51/366098251.db2.gz XKMYLVXVBLOMRG-MFKMUULPSA-N 0 3 253.390 2.331 10 0 CEAEHN CC(C)[C@H]1CCO[C@H]1C(=O)N1CCCC12CCN(C)CC2 ZINC000336387805 213244042 /nfs/dbraw/zinc/24/40/42/213244042.db2.gz VPARRQUSHALHPD-HUUCEWRRSA-N 0 3 294.439 2.134 10 0 CEAEHN CCCN[C@@H](COC)c1cnnn1Cc1ccccc1 ZINC000675081018 540120277 /nfs/dbraw/zinc/12/02/77/540120277.db2.gz ZLFRJQXKJNOAJY-AWEZNQCLSA-N 0 3 274.368 2.014 10 0 CEAEHN CC(C)NCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000037822460 540180880 /nfs/dbraw/zinc/18/08/80/540180880.db2.gz IDERLDWMUGLZRR-CQSZACIVSA-N 0 3 296.798 2.238 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)c1ncc(C)s1)N(C)C ZINC000133703892 366249582 /nfs/dbraw/zinc/24/95/82/366249582.db2.gz FLVXELQJNHSMHG-MNOVXSKESA-N 0 3 269.414 2.359 10 0 CEAEHN CCOCCN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076008194 363507070 /nfs/dbraw/zinc/50/70/70/363507070.db2.gz IGJXGRGFDCWRBC-LBPRGKRZSA-N 0 3 272.389 2.012 10 0 CEAEHN CCCCOC[C@H](O)CN[C@@H](C)c1c(C)noc1C ZINC000227894185 538769663 /nfs/dbraw/zinc/76/96/63/538769663.db2.gz PVGCPGWXNJPHEH-GXFFZTMASA-N 0 3 270.373 2.120 10 0 CEAEHN Cc1ncsc1CN(C)C[C@@H]1CCC[C@H](O)C1 ZINC000310095950 540336067 /nfs/dbraw/zinc/33/60/67/540336067.db2.gz AKILKTVYVLHLIM-NEPJUHHUSA-N 0 3 254.399 2.434 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@H](C)C1CC1 ZINC000079495352 363608568 /nfs/dbraw/zinc/60/85/68/363608568.db2.gz XZLRUEJPSYOVML-TZMCWYRMSA-N 0 3 269.433 2.403 10 0 CEAEHN Cc1ccccc1OCCN(C)C(=O)[C@@]1(C)CCCCN1 ZINC000136149537 366499072 /nfs/dbraw/zinc/49/90/72/366499072.db2.gz FMKYNGRZUDFZKD-QGZVFWFLSA-N 0 3 290.407 2.364 10 0 CEAEHN NC1(C(=O)Nc2ccc3ccccc3n2)CCCC1 ZINC000262670047 283402914 /nfs/dbraw/zinc/40/29/14/283402914.db2.gz QOJBGCSCNFIWNQ-UHFFFAOYSA-N 0 3 255.321 2.445 10 0 CEAEHN CC(C)(C)c1ncc(CNC[C@H]2CCC[C@H]2O)cn1 ZINC000311535742 540457558 /nfs/dbraw/zinc/45/75/58/540457558.db2.gz HVPNIGJCIAMCCJ-CHWSQXEVSA-N 0 3 263.385 2.025 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2cccs2)C1 ZINC000160727751 540638102 /nfs/dbraw/zinc/63/81/02/540638102.db2.gz JOKMTHCMDALDPN-NEPJUHHUSA-N 0 3 254.399 2.119 10 0 CEAEHN Fc1ccccc1CCN1CCC[C@H](Cn2cncn2)C1 ZINC000137538672 366544300 /nfs/dbraw/zinc/54/43/00/366544300.db2.gz MGZSZDNSTBZRLZ-AWEZNQCLSA-N 0 3 288.370 2.372 10 0 CEAEHN NC[C@H](C(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000061613327 283490422 /nfs/dbraw/zinc/49/04/22/283490422.db2.gz HMBQMIPOHKKYIX-INIZCTEOSA-N 0 3 266.344 2.271 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC000176977558 189018263 /nfs/dbraw/zinc/01/82/63/189018263.db2.gz JVHUPTHIZOIHEZ-LLVKDONJSA-N 0 3 269.776 2.224 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC000177038757 189023025 /nfs/dbraw/zinc/02/30/25/189023025.db2.gz WPHCJVRCZFAFJI-AWEZNQCLSA-N 0 3 276.380 2.252 10 0 CEAEHN COc1cccc([C@H](C)CC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000177646638 189061068 /nfs/dbraw/zinc/06/10/68/189061068.db2.gz XHTDNFBBCJKARA-UKRRQHHQSA-N 0 3 290.407 2.351 10 0 CEAEHN c1ccc(-c2noc(CN3CCN4CCCC[C@@H]4C3)n2)cc1 ZINC000177778061 189068958 /nfs/dbraw/zinc/06/89/58/189068958.db2.gz SHEXAOHBQPJGNW-OAHLLOKOSA-N 0 3 298.390 2.407 10 0 CEAEHN COc1c(C)cc(C(=O)N2CCN3CCC[C@H]3C2)cc1C ZINC000179913319 189227542 /nfs/dbraw/zinc/22/75/42/189227542.db2.gz XXXUCWIUWBRGAU-HNNXBMFYSA-N 0 3 288.391 2.232 10 0 CEAEHN CCc1cnc(CN[C@@H]2CCCCC[C@@H]2O)s1 ZINC000342207846 216260435 /nfs/dbraw/zinc/26/04/35/216260435.db2.gz UBYAOBSAKZMDFL-NEPJUHHUSA-N 0 3 254.399 2.489 10 0 CEAEHN CC[C@H](C)Oc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccn1 ZINC000180253643 189246783 /nfs/dbraw/zinc/24/67/83/189246783.db2.gz XHVUTZXLUFLQMW-GXTWGEPZSA-N 0 3 291.395 2.035 10 0 CEAEHN C[C@H](NC[C@H]1CN(C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000180497725 189259094 /nfs/dbraw/zinc/25/90/94/189259094.db2.gz PANBDUUZNVGTJK-ONGXEEELSA-N 0 3 288.313 2.085 10 0 CEAEHN CCc1nn(C)cc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000179987166 542259504 /nfs/dbraw/zinc/25/95/04/542259504.db2.gz FAMCZSBUMCVQNB-CQSZACIVSA-N 0 3 299.422 2.312 10 0 CEAEHN CCN(C)C(=O)CCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180874085 189280962 /nfs/dbraw/zinc/28/09/62/189280962.db2.gz UHBDMXJTWBTWHP-LBPRGKRZSA-N 0 3 294.395 2.223 10 0 CEAEHN Cc1ccc(C[C@@H](C)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000181215219 189291097 /nfs/dbraw/zinc/29/10/97/189291097.db2.gz HAERIBLOOSNUML-NVXWUHKLSA-N 0 3 286.419 2.480 10 0 CEAEHN C[C@@H](CCC(C)(C)C)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000153834523 366739752 /nfs/dbraw/zinc/73/97/52/366739752.db2.gz GMSPZPDGSSZUQU-UONOGXRCSA-N 0 3 299.459 2.173 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000082284811 363758660 /nfs/dbraw/zinc/75/86/60/363758660.db2.gz IEVZECLDORKJGM-JTQLQIEISA-N 0 3 252.745 2.116 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000083550368 363779473 /nfs/dbraw/zinc/77/94/73/363779473.db2.gz IHQBWBWKNJYDDI-IUODEOHRSA-N 0 3 283.375 2.477 10 0 CEAEHN Cc1cccc2c(N(C)Cc3ncnn3C)ccnc12 ZINC000301667882 201125134 /nfs/dbraw/zinc/12/51/34/201125134.db2.gz MKWNCTMJFHADIO-UHFFFAOYSA-N 0 3 267.336 2.308 10 0 CEAEHN c1ccc(Cc2nccc(N3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000183926484 189371740 /nfs/dbraw/zinc/37/17/40/189371740.db2.gz AUTGKHJBNMUXLM-MRXNPFEDSA-N 0 3 294.402 2.352 10 0 CEAEHN CCOC(=O)c1cccnc1N(C)C[C@@H]1CCCN1CC ZINC000184129330 189376907 /nfs/dbraw/zinc/37/69/07/189376907.db2.gz LGBCMVYOKMNSPM-ZDUSSCGKSA-N 0 3 291.395 2.179 10 0 CEAEHN CCn1cncc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000019578615 361544158 /nfs/dbraw/zinc/54/41/58/361544158.db2.gz DOFHJCFAGZSFRS-HIFRSBDPSA-N 0 3 263.385 2.030 10 0 CEAEHN CN[C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C[C@H]1O ZINC000212741822 283685881 /nfs/dbraw/zinc/68/58/81/283685881.db2.gz XMFDTGLPASMKMA-OLZOCXBDSA-N 0 3 278.352 2.063 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)OCC(F)(F)F ZINC000092677501 364096028 /nfs/dbraw/zinc/09/60/28/364096028.db2.gz IVKKJZSMHPCCLG-SECBINFHSA-N 0 3 268.279 2.101 10 0 CEAEHN Cc1c(CNCCCN2CCc3ccccc32)cnn1C ZINC000093649373 364208851 /nfs/dbraw/zinc/20/88/51/364208851.db2.gz NOMZKWVQYFUJTI-UHFFFAOYSA-N 0 3 284.407 2.271 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2cc(Cl)ccc2F)CCO1 ZINC000156647047 366836084 /nfs/dbraw/zinc/83/60/84/366836084.db2.gz CWAHIKVCCZEDCA-ZDUSSCGKSA-N 0 3 286.778 2.242 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](OC)c1ccccc1)N(C)C ZINC000178651768 283785568 /nfs/dbraw/zinc/78/55/68/283785568.db2.gz WXFTXHUTKYENER-HUUCEWRRSA-N 0 3 278.396 2.221 10 0 CEAEHN COC[C@@H](C)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000103382234 364646260 /nfs/dbraw/zinc/64/62/60/364646260.db2.gz KOSZGFKORDPPAM-HIFRSBDPSA-N 0 3 288.391 2.280 10 0 CEAEHN CCN(CC)CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105850136 364702470 /nfs/dbraw/zinc/70/24/70/364702470.db2.gz RQRSTHZOKJGVHC-AWEZNQCLSA-N 0 3 292.427 2.042 10 0 CEAEHN C[C@@H](CC(=O)N1CC[C@@H](N(C)C)C1)c1cccc(F)c1 ZINC000116190127 365041975 /nfs/dbraw/zinc/04/19/75/365041975.db2.gz MYCQPPMOXDNFGZ-SWLSCSKDSA-N 0 3 278.371 2.482 10 0 CEAEHN CC(=O)Nc1cccc(CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116320757 365051337 /nfs/dbraw/zinc/05/13/37/365051337.db2.gz OWGMSFXBIJDIAR-HNNXBMFYSA-N 0 3 298.390 2.368 10 0 CEAEHN CCCCCN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000117880280 365129816 /nfs/dbraw/zinc/12/98/16/365129816.db2.gz XYIDPSUKHUYJMB-UHFFFAOYSA-N 0 3 278.444 2.345 10 0 CEAEHN CCc1nc(C)c(CN2CCN3CCCC[C@@H]3C2)o1 ZINC000335918692 365161408 /nfs/dbraw/zinc/16/14/08/365161408.db2.gz SHFRLCMHXRBYCF-CYBMUJFWSA-N 0 3 263.385 2.216 10 0 CEAEHN Cc1cnn(C[C@@H]2CN(CCC3CCCC3)CCO2)c1 ZINC000119265949 365244333 /nfs/dbraw/zinc/24/43/33/365244333.db2.gz VDMIRRLGOJWIHB-INIZCTEOSA-N 0 3 277.412 2.473 10 0 CEAEHN CN(Cc1ccco1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120167169 365383848 /nfs/dbraw/zinc/38/38/48/365383848.db2.gz GGCNDMRCCBRFAN-ZDUSSCGKSA-N 0 3 272.352 2.170 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccnc(C)c1 ZINC000120181669 365385916 /nfs/dbraw/zinc/38/59/16/365385916.db2.gz HALWSPCHPQLCIF-CQSZACIVSA-N 0 3 276.384 2.338 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)cc2C)CCN1C[C@@H](C)O ZINC000120730012 365466707 /nfs/dbraw/zinc/46/67/07/365466707.db2.gz QZMDWDSGGPTNBD-PBHICJAKSA-N 0 3 294.414 2.411 10 0 CEAEHN Cc1nn(C)cc1CNC(C)(C)CNC(=O)OC(C)(C)C ZINC000161941053 367122804 /nfs/dbraw/zinc/12/28/04/367122804.db2.gz LCBPQSDSJVIPLT-UHFFFAOYSA-N 0 3 296.415 2.121 10 0 CEAEHN Cc1ccc(C[C@@H](C)NC(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000162122071 367139057 /nfs/dbraw/zinc/13/90/57/367139057.db2.gz WZTHCUGLTQOHNZ-DGCLKSJQSA-N 0 3 295.452 2.333 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc(COC)cc1)N(C)C ZINC000161519326 367094143 /nfs/dbraw/zinc/09/41/43/367094143.db2.gz DHTKQQWSVDYHSH-HNNXBMFYSA-N 0 3 278.396 2.180 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)cs1 ZINC000245435113 370819724 /nfs/dbraw/zinc/81/97/24/370819724.db2.gz SHUZZOWDLABLDE-NEPJUHHUSA-N 0 3 294.420 2.456 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)N(C)C ZINC000162353756 367154636 /nfs/dbraw/zinc/15/46/36/367154636.db2.gz YRVKFZDSXJKIAT-WDEREUQCSA-N 0 3 296.415 2.275 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC1CCCCC1 ZINC000245475739 370827071 /nfs/dbraw/zinc/82/70/71/370827071.db2.gz SEECWBMAQFLXDA-GDBMZVCRSA-N 0 3 295.471 2.240 10 0 CEAEHN CN(C)C[C@@H](NC(=O)Cc1ccoc1)c1ccccc1 ZINC000163776629 367264718 /nfs/dbraw/zinc/26/47/18/367264718.db2.gz WIYHBTXKMXQAJJ-OAHLLOKOSA-N 0 3 272.348 2.241 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCc3cc(F)ccc32)C1 ZINC000170833836 367427864 /nfs/dbraw/zinc/42/78/64/367427864.db2.gz IEFJSMGCZSDLRB-ZFWWWQNUSA-N 0 3 291.370 2.159 10 0 CEAEHN Cc1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)c(C)c1 ZINC000170832078 367428262 /nfs/dbraw/zinc/42/82/62/367428262.db2.gz CRJVVCLECHMNAC-OAHLLOKOSA-N 0 3 275.396 2.149 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000171073846 367471483 /nfs/dbraw/zinc/47/14/83/367471483.db2.gz YPHKNUXUSPPGHV-GFCCVEGCSA-N 0 3 269.295 2.133 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000245713841 370862012 /nfs/dbraw/zinc/86/20/12/370862012.db2.gz GLZRXZBNNWYJPU-KGLIPLIRSA-N 0 3 287.407 2.055 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2)C1 ZINC000170861446 367434460 /nfs/dbraw/zinc/43/44/60/367434460.db2.gz LILIDXAXJQSLHV-CYBMUJFWSA-N 0 3 281.787 2.186 10 0 CEAEHN CC(C)CC[C@@H](C)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861911 367435031 /nfs/dbraw/zinc/43/50/31/367435031.db2.gz FBIZUVKCVNTNLW-CHWSQXEVSA-N 0 3 255.406 2.157 10 0 CEAEHN C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170867224 367436058 /nfs/dbraw/zinc/43/60/58/367436058.db2.gz BZQFPBIRGRBEHE-NEPJUHHUSA-N 0 3 296.798 2.270 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(CCc3ccccn3)C2)no1 ZINC000171503593 367556024 /nfs/dbraw/zinc/55/60/24/367556024.db2.gz AUQLRJOICCWLIL-AWEZNQCLSA-N 0 3 286.379 2.270 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cnc(-c3ccco3)s2)C1 ZINC000171541639 367562321 /nfs/dbraw/zinc/56/23/21/367562321.db2.gz JIAQXKCATDKCNH-JTQLQIEISA-N 0 3 291.376 2.179 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nnc(-c2ccccc2)o1 ZINC000172081545 367670518 /nfs/dbraw/zinc/67/05/18/367670518.db2.gz CZTDICXASUNOMN-DZGCQCFKSA-N 0 3 298.390 2.405 10 0 CEAEHN O=C(N1CCN2CCC[C@H]2C1)C1(c2cccc(F)c2)CC1 ZINC000172217400 367699397 /nfs/dbraw/zinc/69/93/97/367699397.db2.gz XKUQFIMDNSPTLF-HNNXBMFYSA-N 0 3 288.366 2.164 10 0 CEAEHN CC[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccncc1 ZINC000173499585 367916533 /nfs/dbraw/zinc/91/65/33/367916533.db2.gz PXNFDQYAYXJVKH-CABCVRRESA-N 0 3 288.395 2.022 10 0 CEAEHN Cc1ccc(-c2ocnc2C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000173500567 367916873 /nfs/dbraw/zinc/91/68/73/367916873.db2.gz XCMRSCUNVPJSHE-CQSZACIVSA-N 0 3 299.374 2.426 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000262590666 284006655 /nfs/dbraw/zinc/00/66/55/284006655.db2.gz UTLACDMGIJSFLR-UXLLHSPISA-N 0 3 289.423 2.066 10 0 CEAEHN COc1cncc(CN2C[C@H]3CCCCN3C[C@@H]2C)c1 ZINC000343869004 368049784 /nfs/dbraw/zinc/04/97/84/368049784.db2.gz OVSCVWMBARFYGM-DZGCQCFKSA-N 0 3 275.396 2.149 10 0 CEAEHN CCN1CCO[C@H](CNCc2c(C)cccc2C)C1 ZINC000163660804 541636043 /nfs/dbraw/zinc/63/60/43/541636043.db2.gz MPSFBEHTTJRLTJ-OAHLLOKOSA-N 0 3 262.397 2.114 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccnc1C ZINC000175006917 368089190 /nfs/dbraw/zinc/08/91/90/368089190.db2.gz KBFHMOACZLGBAA-ZIAGYGMSSA-N 0 3 273.380 2.089 10 0 CEAEHN Cn1cc(CN2CCN3CCCC[C@@H]3C2)c(C(C)(C)C)n1 ZINC000179893098 368356689 /nfs/dbraw/zinc/35/66/89/368356689.db2.gz NKGCNOXGLRNHET-OAHLLOKOSA-N 0 3 290.455 2.388 10 0 CEAEHN CCCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052816797 541651453 /nfs/dbraw/zinc/65/14/53/541651453.db2.gz XBIHDDHFLYJBQK-AWEZNQCLSA-N 0 3 263.385 2.389 10 0 CEAEHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000182185037 368532333 /nfs/dbraw/zinc/53/23/33/368532333.db2.gz DJQPWSUFVSWSAU-GHMZBOCLSA-N 0 3 291.420 2.466 10 0 CEAEHN CCOc1ccc([C@H](C)NC[C@H]2CN(CC)CCO2)cc1 ZINC000163890978 541694235 /nfs/dbraw/zinc/69/42/35/541694235.db2.gz QRVSMPBXIDQRJP-YOEHRIQHSA-N 0 3 292.423 2.457 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000185012878 368736805 /nfs/dbraw/zinc/73/68/05/368736805.db2.gz SXMCBMJCCGCCJD-MCIONIFRSA-N 0 3 254.418 2.371 10 0 CEAEHN Cc1ccc(N2CCCN([C@@H]3C=CCCC3)CC2)nn1 ZINC000246270363 370938215 /nfs/dbraw/zinc/93/82/15/370938215.db2.gz QHWBZFLWTADVKO-OAHLLOKOSA-N 0 3 272.396 2.406 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2cc(C)no2)C12CCOCC2 ZINC000186321372 368955648 /nfs/dbraw/zinc/95/56/48/368955648.db2.gz OMRXYIKJLJOJDZ-UONOGXRCSA-N 0 3 280.368 2.047 10 0 CEAEHN C[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000187120183 369105619 /nfs/dbraw/zinc/10/56/19/369105619.db2.gz DETIXCOIQLONJW-MLGOLLRUSA-N 0 3 288.391 2.253 10 0 CEAEHN CCOC(C)(C)CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000187520249 369173200 /nfs/dbraw/zinc/17/32/00/369173200.db2.gz QIHHAKDOCUNORY-CYBMUJFWSA-N 0 3 287.448 2.077 10 0 CEAEHN CCC[C@@H](C(=O)N1CCC([C@H]2CCCO2)CC1)N(C)C ZINC000187585568 369182883 /nfs/dbraw/zinc/18/28/83/369182883.db2.gz QIKGWCRGRQOCMX-LSDHHAIUSA-N 0 3 282.428 2.134 10 0 CEAEHN CCC[C@@H](C(=O)NCC[C@@](C)(O)c1ccccc1)N(C)C ZINC000188944130 369432887 /nfs/dbraw/zinc/43/28/87/369432887.db2.gz XQVRRLVBHURYFA-DOTOQJQBSA-N 0 3 292.423 2.131 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246626033 370986641 /nfs/dbraw/zinc/98/66/41/370986641.db2.gz SJCFMKBZLVQBTP-XOUADPBQSA-N 0 3 287.407 2.357 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC1=CCCOC1 ZINC000246177774 284166365 /nfs/dbraw/zinc/16/63/65/284166365.db2.gz ISDSIOBSPNSBGJ-ZNMIVQPWSA-N 0 3 279.380 2.139 10 0 CEAEHN Cc1cncc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000189871462 369573356 /nfs/dbraw/zinc/57/33/56/369573356.db2.gz VWIMQYSVOHLRHK-MRXNPFEDSA-N 0 3 297.406 2.281 10 0 CEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cocn2)C1 ZINC000191980163 369760332 /nfs/dbraw/zinc/76/03/32/369760332.db2.gz PIFFLQDUXCHNQQ-HNNXBMFYSA-N 0 3 286.379 2.024 10 0 CEAEHN COc1cccc(C)c1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000194994646 370094130 /nfs/dbraw/zinc/09/41/30/370094130.db2.gz NKARLWTXOGXBTD-ZDUSSCGKSA-N 0 3 289.379 2.316 10 0 CEAEHN Cc1nc2ccccc2nc1N1CCNC(C)(C)C1 ZINC000212747288 370165816 /nfs/dbraw/zinc/16/58/16/370165816.db2.gz KPVYTIVLRYUIKO-UHFFFAOYSA-N 0 3 256.353 2.126 10 0 CEAEHN C[C@H](NC[C@@H](O)c1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000225246794 370288370 /nfs/dbraw/zinc/28/83/70/370288370.db2.gz SULPWUCLMQMXSY-FZZIBODNSA-N 0 3 271.307 2.155 10 0 CEAEHN CCN[C@@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000638096002 370297203 /nfs/dbraw/zinc/29/72/03/370297203.db2.gz JOMVZKIJWYDAFK-WDEREUQCSA-N 0 3 267.398 2.195 10 0 CEAEHN CCn1nccc1CNCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000229192824 370419754 /nfs/dbraw/zinc/41/97/54/370419754.db2.gz BGPKAMINIJVBOW-GFCCVEGCSA-N 0 3 296.415 2.296 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000246794456 371011558 /nfs/dbraw/zinc/01/15/58/371011558.db2.gz BOOJVSRTQZWOIZ-NEPJUHHUSA-N 0 3 290.411 2.016 10 0 CEAEHN CS[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000246905803 371028573 /nfs/dbraw/zinc/02/85/73/371028573.db2.gz APLLSKSKXUJPRN-RWMBFGLXSA-N 0 3 285.457 2.006 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1sc(C)nc1C ZINC000246910188 371030905 /nfs/dbraw/zinc/03/09/05/371030905.db2.gz IFRWOZRGQQGNPI-STQMWFEESA-N 0 3 293.436 2.459 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccsc1 ZINC000247055233 371055681 /nfs/dbraw/zinc/05/56/81/371055681.db2.gz WRRGSPHIBZPUOJ-STQMWFEESA-N 0 3 264.394 2.447 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccs1 ZINC000247081223 371061937 /nfs/dbraw/zinc/06/19/37/371061937.db2.gz ZJQKPWSVNPGEKM-RYUDHWBXSA-N 0 3 264.394 2.447 10 0 CEAEHN Cc1cnc([C@@H](C)NC(=O)N2CCN3CCC[C@H]3C2)s1 ZINC000247250916 371083914 /nfs/dbraw/zinc/08/39/14/371083914.db2.gz UMFLJPJZNZVNNU-NEPJUHHUSA-N 0 3 294.424 2.002 10 0 CEAEHN Cc1ccc(C)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000247873986 371145300 /nfs/dbraw/zinc/14/53/00/371145300.db2.gz YDMRFLJWRAILMR-HOTGVXAUSA-N 0 3 276.424 2.190 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC000247469179 371112200 /nfs/dbraw/zinc/11/22/00/371112200.db2.gz VCFHOTXWSDIUCA-GXFFZTMASA-N 0 3 282.334 2.423 10 0 CEAEHN Cc1occc1CN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247483920 371114534 /nfs/dbraw/zinc/11/45/34/371114534.db2.gz WIQXFFXOFNXNAQ-IUODEOHRSA-N 0 3 293.411 2.458 10 0 CEAEHN Cc1cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c(C)s1 ZINC000247540930 371122652 /nfs/dbraw/zinc/12/26/52/371122652.db2.gz CZEQPXLWNWBEEX-NWDGAFQWSA-N 0 3 282.453 2.252 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@H](C)C1 ZINC000247542724 371122884 /nfs/dbraw/zinc/12/28/84/371122884.db2.gz YODLIUZDKMOSCJ-KBXIAJHMSA-N 0 3 279.428 2.301 10 0 CEAEHN Cc1ccnc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000248465774 371198662 /nfs/dbraw/zinc/19/86/62/371198662.db2.gz ZWMBRKPWGUBNKS-OLZOCXBDSA-N 0 3 276.384 2.240 10 0 CEAEHN CC(=O)CC(C)(C)CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000249106580 371295022 /nfs/dbraw/zinc/29/50/22/371295022.db2.gz XFONAXFESBYFQS-GXTWGEPZSA-N 0 3 282.428 2.227 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(C[C@@H](O)CC2CCCC2)C1 ZINC000249151743 371302881 /nfs/dbraw/zinc/30/28/81/371302881.db2.gz XVIRHUJWVQATFW-CVEARBPZSA-N 0 3 296.455 2.308 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H](C)Oc2cccc(F)c2)C1 ZINC000249610001 371347186 /nfs/dbraw/zinc/34/71/86/371347186.db2.gz FMYYMUILZDKVAM-JSGCOSHPSA-N 0 3 294.370 2.194 10 0 CEAEHN NC1(C(=O)NCCc2ccc3ccccc3c2)CCOCC1 ZINC000261857760 371752817 /nfs/dbraw/zinc/75/28/17/371752817.db2.gz NADQGSCPIRSCSI-UHFFFAOYSA-N 0 3 298.386 2.006 10 0 CEAEHN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](N)[C@@H](C)CC)C1(C)C ZINC000262650956 371891744 /nfs/dbraw/zinc/89/17/44/371891744.db2.gz WYFSNFONTFLJSQ-WUHRBBMRSA-N 0 3 270.417 2.022 10 0 CEAEHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CNCCOC1 ZINC000643615285 373222767 /nfs/dbraw/zinc/22/27/67/373222767.db2.gz ZPCWQSWWJHMYGV-MRVPVSSYSA-N 0 3 289.162 2.168 10 0 CEAEHN C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CNCCOC1 ZINC000643634690 373226752 /nfs/dbraw/zinc/22/67/52/373226752.db2.gz CWKPCPYKRJLMPI-NEPJUHHUSA-N 0 3 296.798 2.095 10 0 CEAEHN C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CNCCOC1 ZINC000643634691 373227116 /nfs/dbraw/zinc/22/71/16/373227116.db2.gz CWKPCPYKRJLMPI-NWDGAFQWSA-N 0 3 296.798 2.095 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2NCC2(C)C)cc1F ZINC000644015665 373338891 /nfs/dbraw/zinc/33/88/91/373338891.db2.gz RQSATPGSQOSUFZ-MFKMUULPSA-N 0 3 264.344 2.309 10 0 CEAEHN CN(Cc1ccc(Br)o1)[C@@H]1CCC[C@H]1O ZINC000289664946 197438887 /nfs/dbraw/zinc/43/88/87/197438887.db2.gz NIMNWTMSJVVZML-NXEZZACHSA-N 0 3 274.158 2.387 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1cc(F)cc(F)c1 ZINC000282432290 375483420 /nfs/dbraw/zinc/48/34/20/375483420.db2.gz TZZHUMNVDNGEBJ-RWEMILLDSA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)s1 ZINC000282469897 375493084 /nfs/dbraw/zinc/49/30/84/375493084.db2.gz UQHUKVPWNBHUDE-CBAPKCEASA-N 0 3 258.774 2.158 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000262590665 190057769 /nfs/dbraw/zinc/05/77/69/190057769.db2.gz UTLACDMGIJSFLR-INMHGKMJSA-N 0 3 289.423 2.066 10 0 CEAEHN O[C@@]1(C(F)(F)F)CCN(C[C@H]2Cc3ccccc32)C1 ZINC000287905871 376338280 /nfs/dbraw/zinc/33/82/80/376338280.db2.gz VCVNBQLAZULZBY-YPMHNXCESA-N 0 3 271.282 2.325 10 0 CEAEHN Cc1ccc(CN2C[C@H]3CCCCN3C[C@@H]2C)nc1 ZINC000334322099 206367369 /nfs/dbraw/zinc/36/73/69/206367369.db2.gz IKXWPBCFWORXBS-GOEBONIOSA-N 0 3 259.397 2.449 10 0 CEAEHN CCN1CC[C@H](N[C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509330 376852369 /nfs/dbraw/zinc/85/23/69/376852369.db2.gz MVOJFXNSBPIGOP-WBMJQRKESA-N 0 3 275.396 2.390 10 0 CEAEHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181090446 542270627 /nfs/dbraw/zinc/27/06/27/542270627.db2.gz QZOLQKRYDCAPNL-ZYHUDNBSSA-N 0 3 288.399 2.099 10 0 CEAEHN CC[C@H](NC[C@@H]1CCCC[C@@H]1O)c1nccn1C ZINC000183012092 542286175 /nfs/dbraw/zinc/28/61/75/542286175.db2.gz AFVINJHRZMLYFO-AVGNSLFASA-N 0 3 251.374 2.012 10 0 CEAEHN CCCOc1cccc([C@@H]2[C@@H](N)CCC(=O)N2CC)c1 ZINC000070985781 184574573 /nfs/dbraw/zinc/57/45/73/184574573.db2.gz RDJLZQWHFBKBGY-GOEBONIOSA-N 0 3 276.380 2.486 10 0 CEAEHN CC[C@H](C)[S@@](=O)[C@@H]1Cc2ccc(OC)cc2[C@@H]1N ZINC000092859406 184632678 /nfs/dbraw/zinc/63/26/78/184632678.db2.gz WWRUOZDODIPTRZ-WVNJSLPRSA-N 0 3 267.394 2.167 10 0 CEAEHN CCCN1CCN([C@H](CN)c2cc(Cl)cs2)CC1 ZINC000093095232 184648680 /nfs/dbraw/zinc/64/86/80/184648680.db2.gz MJASZLNJIXYUKD-GFCCVEGCSA-N 0 3 287.860 2.429 10 0 CEAEHN N[C@H]1CCCCC[C@@H]1S(=O)(=O)c1cc(F)ccc1F ZINC000081946006 177906635 /nfs/dbraw/zinc/90/66/35/177906635.db2.gz JKSOIBKSWRXYJD-RYUDHWBXSA-N 0 3 289.347 2.399 10 0 CEAEHN CN[C@H](C)CS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081960515 177908389 /nfs/dbraw/zinc/90/83/89/177908389.db2.gz JWEQVMLDNADLFJ-MRVPVSSYSA-N 0 3 281.299 2.087 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000177767119 285352345 /nfs/dbraw/zinc/35/23/45/285352345.db2.gz JWTOXNLIWLCZAM-HZPDHXFCSA-N 0 3 278.371 2.029 10 0 CEAEHN Cc1cc(NC(=O)CNCC2CC2)ncc1Br ZINC000094063609 184752775 /nfs/dbraw/zinc/75/27/75/184752775.db2.gz AFOJOXWUGHRYID-UHFFFAOYSA-N 0 3 298.184 2.091 10 0 CEAEHN [O-]c1ccc(C[NH2+][C@H]2CCc3ccccc3C2)nc1 ZINC000094211542 184763546 /nfs/dbraw/zinc/76/35/46/184763546.db2.gz UPNHQJGXFCTNOG-AWEZNQCLSA-N 0 3 254.333 2.434 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000094234071 184767502 /nfs/dbraw/zinc/76/75/02/184767502.db2.gz NEDIJWBDCGXQJG-CQSZACIVSA-N 0 3 259.309 2.408 10 0 CEAEHN CN(Cc1cnn(C)c1)C[C@H]1CCCC(C)(C)[C@@H]1O ZINC000094289573 184776160 /nfs/dbraw/zinc/77/61/60/184776160.db2.gz IZPCTSUSOGYRRX-ZIAGYGMSSA-N 0 3 265.401 2.039 10 0 CEAEHN COC(=O)C(C)(C)COc1c(F)cc(CN)cc1F ZINC000094346281 184786135 /nfs/dbraw/zinc/78/61/35/184786135.db2.gz HOTZXHKEFKDEOG-UHFFFAOYSA-N 0 3 273.279 2.002 10 0 CEAEHN CN[C@@H](Cc1ncnn1C(C)C)c1ccc(Cl)cn1 ZINC000094844069 184879297 /nfs/dbraw/zinc/87/92/97/184879297.db2.gz JGIMKUNBFITRGO-LBPRGKRZSA-N 0 3 279.775 2.411 10 0 CEAEHN Nc1ccncc1[C@@H](O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000094722943 184846739 /nfs/dbraw/zinc/84/67/39/184846739.db2.gz BVIXRYJDMZVYCY-OAHLLOKOSA-N 0 3 284.294 2.275 10 0 CEAEHN CCN(Cc1cccc(C)n1)Cc1cc(N)ccn1 ZINC000094925905 184894885 /nfs/dbraw/zinc/89/48/85/184894885.db2.gz RJSLAZHKPQMXNI-UHFFFAOYSA-N 0 3 256.353 2.389 10 0 CEAEHN C(CN1CCN2CCCC[C@@H]2C1)OCC1CCCC1 ZINC000313704697 533360123 /nfs/dbraw/zinc/36/01/23/533360123.db2.gz OJLOJOOEEWSFFF-MRXNPFEDSA-N 0 3 266.429 2.363 10 0 CEAEHN COc1cc(C)c(CN2C[C@H](C)C[C@H](O)C2)cc1OC ZINC000401510982 533573537 /nfs/dbraw/zinc/57/35/37/533573537.db2.gz VYMHAGIEQPDKRU-RISCZKNCSA-N 0 3 279.380 2.215 10 0 CEAEHN C[C@@H](N)c1c(F)cccc1N1C[C@@H](C)OC[C@H]1C ZINC000035786981 134804863 /nfs/dbraw/zinc/80/48/63/134804863.db2.gz DVZHFSHAIHGTRX-GMTAPVOTSA-N 0 3 252.333 2.459 10 0 CEAEHN N[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)c2ccccc21 ZINC000087203551 135049221 /nfs/dbraw/zinc/04/92/21/135049221.db2.gz JLPLWRLAZFXJRA-GXTWGEPZSA-N 0 3 274.364 2.382 10 0 CEAEHN Fc1ccc(OCCC2CC2)c(N2CCNCC2)c1 ZINC000088493363 135054815 /nfs/dbraw/zinc/05/48/15/135054815.db2.gz ADYNTWMODRMACM-UHFFFAOYSA-N 0 3 264.344 2.414 10 0 CEAEHN NCc1cc(N2C[C@H]3CC[C@@H](C2)O3)c2ccccc2n1 ZINC000090907706 135066714 /nfs/dbraw/zinc/06/67/14/135066714.db2.gz MXYVACALVJBXAY-BETUJISGSA-N 0 3 269.348 2.061 10 0 CEAEHN CCNCc1cnc(N2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000090907727 135066824 /nfs/dbraw/zinc/06/68/24/135066824.db2.gz PVWZRIIOKDWKDW-TXEJJXNPSA-N 0 3 281.787 2.212 10 0 CEAEHN CCCO[C@@H]1CCCN(c2cncc(CNC(C)C)n2)C1 ZINC000091421005 135069415 /nfs/dbraw/zinc/06/94/15/135069415.db2.gz RQFXBXHIUCQJDH-OAHLLOKOSA-N 0 3 292.427 2.370 10 0 CEAEHN Nc1ccnc(CN2CCN(c3ccccc3F)CC2)c1 ZINC000092417856 135076174 /nfs/dbraw/zinc/07/61/74/135076174.db2.gz SMIJAOCSZBXJJV-UHFFFAOYSA-N 0 3 286.354 2.125 10 0 CEAEHN C[C@H]1CCc2ccccc2N1C[C@@H]1Cc2nc[nH]c2CN1 ZINC000092798445 135077707 /nfs/dbraw/zinc/07/77/07/135077707.db2.gz HFEBJQVEPKFDCH-JSGCOSHPSA-N 0 3 282.391 2.265 10 0 CEAEHN CC[C@@](C)(N)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000094231307 135084354 /nfs/dbraw/zinc/08/43/54/135084354.db2.gz CITLSDTWWLQIJX-OAHLLOKOSA-N 0 3 295.814 2.116 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccccc2F)C1 ZINC000048768900 394528419 /nfs/dbraw/zinc/52/84/19/394528419.db2.gz YYYZIIIJTIRBPF-CYBMUJFWSA-N 0 3 279.359 2.109 10 0 CEAEHN CN[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000048775886 394529377 /nfs/dbraw/zinc/52/93/77/394529377.db2.gz XBJFPAOQZDCCCI-CYBMUJFWSA-N 0 3 260.381 2.076 10 0 CEAEHN COC[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000103428393 394715179 /nfs/dbraw/zinc/71/51/79/394715179.db2.gz DEUVYHNGZTVMCP-STQMWFEESA-N 0 3 296.436 2.284 10 0 CEAEHN CCc1cc(C(=O)N2CC[C@@H](N(C)C)C2)oc1CC ZINC000121255404 394795342 /nfs/dbraw/zinc/79/53/42/394795342.db2.gz MQGSOCVNLYWKBR-GFCCVEGCSA-N 0 3 264.369 2.181 10 0 CEAEHN CC[C@](C)(O)CN1CCN(C2CCCCC2)CC1 ZINC000123668007 394830418 /nfs/dbraw/zinc/83/04/18/394830418.db2.gz NRCMTHOBXPHSFR-HNNXBMFYSA-N 0 3 254.418 2.098 10 0 CEAEHN CCC[C@H](C(=O)N1CC[C@H](Nc2ccccc2)C1)N(C)C ZINC000161985574 395068440 /nfs/dbraw/zinc/06/84/40/395068440.db2.gz QZADQSGZSTTZTJ-JKSUJKDBSA-N 0 3 289.423 2.430 10 0 CEAEHN CN1CCO[C@@H](CN[C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000180497178 395203487 /nfs/dbraw/zinc/20/34/87/395203487.db2.gz OWFBZBVWPKFIBR-GXTWGEPZSA-N 0 3 278.396 2.213 10 0 CEAEHN CCC[C@@H](C)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000187684571 395303912 /nfs/dbraw/zinc/30/39/12/395303912.db2.gz LSLYOMXDVQFECR-HIFRSBDPSA-N 0 3 265.401 2.389 10 0 CEAEHN Cc1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)nc1 ZINC000184251857 395270390 /nfs/dbraw/zinc/27/03/90/395270390.db2.gz ABHOWHIXFPBMRJ-STQMWFEESA-N 0 3 276.384 2.240 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC(OCC(C)C)CC1 ZINC000195157803 395460385 /nfs/dbraw/zinc/46/03/85/395460385.db2.gz CHJOXLCXDROZSQ-HNNXBMFYSA-N 0 3 287.444 2.301 10 0 CEAEHN C[C@](N)(C[C@@H](O)C(F)(F)F)c1ccccc1F ZINC000205243882 395472977 /nfs/dbraw/zinc/47/29/77/395472977.db2.gz GCYYXYSQJMNMPB-ZJUUUORDSA-N 0 3 251.223 2.313 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(COCCOC)c1 ZINC000037765578 400118786 /nfs/dbraw/zinc/11/87/86/400118786.db2.gz ZJTBKOIUCJHRMO-SWLSCSKDSA-N 0 3 294.395 2.162 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(COCCOC)c1 ZINC000037765577 400119547 /nfs/dbraw/zinc/11/95/47/400119547.db2.gz ZJTBKOIUCJHRMO-IUODEOHRSA-N 0 3 294.395 2.162 10 0 CEAEHN Cc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)cc1N ZINC000037001276 400113460 /nfs/dbraw/zinc/11/34/60/400113460.db2.gz MWTNVRRRMLFVPH-CQSZACIVSA-N 0 3 277.412 2.283 10 0 CEAEHN COc1ccc(CNCC[C@@H]2CCCO2)cc1O ZINC000037988638 400123095 /nfs/dbraw/zinc/12/30/95/400123095.db2.gz FFIOYWOHXHAWAH-LBPRGKRZSA-N 0 3 251.326 2.060 10 0 CEAEHN CC(C)Cn1ccnc(N[C@H](C)CN2CCCCC2)c1=O ZINC000061765129 400240833 /nfs/dbraw/zinc/24/08/33/400240833.db2.gz ZCNDLTRTCOEWLW-CQSZACIVSA-N 0 3 292.427 2.186 10 0 CEAEHN C[C@H]1[C@H](Nc2ncc[nH]c2=O)CCN1Cc1ccccc1 ZINC000307738564 400339935 /nfs/dbraw/zinc/33/99/35/400339935.db2.gz WZCXKRPPBMVBRQ-GXTWGEPZSA-N 0 3 284.363 2.257 10 0 CEAEHN Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C)O2)N(C)C)cc1 ZINC000150977056 292253821 /nfs/dbraw/zinc/25/38/21/292253821.db2.gz XSCMRNUWKDWZEL-BPUTZDHNSA-N 0 3 290.407 2.281 10 0 CEAEHN CCOC[C@H](NC(=O)N(C)C[C@@H]1CCCN1CC)C(C)C ZINC000191798053 153189881 /nfs/dbraw/zinc/18/98/81/153189881.db2.gz VJRLOBRFKYVYQG-GJZGRUSLSA-N 0 3 299.459 2.173 10 0 CEAEHN C/C(=C\C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000195190687 153282578 /nfs/dbraw/zinc/28/25/78/153282578.db2.gz KPFLVFGCYYPLRE-GRNBYLDVSA-N 0 3 270.376 2.397 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1C[C@@H](O)c1ccccc1 ZINC000227361323 153343117 /nfs/dbraw/zinc/34/31/17/153343117.db2.gz NJNKXOZYLOKOLR-USXIJHARSA-N 0 3 274.408 2.279 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1ncc(C)o1 ZINC000227599878 153348398 /nfs/dbraw/zinc/34/83/98/153348398.db2.gz HSADSDHVRINEGB-ZIAGYGMSSA-N 0 3 263.385 2.432 10 0 CEAEHN Cc1ccccc1/C=C/c1nc([C@@H]2CNCCN2C)no1 ZINC000263303455 154051015 /nfs/dbraw/zinc/05/10/15/154051015.db2.gz XKHHOQWKNOIONV-NPQIQWPPSA-N 0 3 284.363 2.125 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000263491771 154106198 /nfs/dbraw/zinc/10/61/98/154106198.db2.gz ISTCJILFTLEFJD-FXQLRMTLSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000263491771 154106202 /nfs/dbraw/zinc/10/62/02/154106202.db2.gz ISTCJILFTLEFJD-FXQLRMTLSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000263491771 154106206 /nfs/dbraw/zinc/10/62/06/154106206.db2.gz ISTCJILFTLEFJD-FXQLRMTLSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CCC[C@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523467 154118172 /nfs/dbraw/zinc/11/81/72/154118172.db2.gz SERAHGUATYDTCD-YUCHNRCRSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CCC[C@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523467 154118176 /nfs/dbraw/zinc/11/81/76/154118176.db2.gz SERAHGUATYDTCD-YUCHNRCRSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CCC[C@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523467 154118179 /nfs/dbraw/zinc/11/81/79/154118179.db2.gz SERAHGUATYDTCD-YUCHNRCRSA-N 0 3 294.439 2.482 10 0 CEAEHN CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000175008645 286707703 /nfs/dbraw/zinc/70/77/03/286707703.db2.gz PRYWGMFZOATIEQ-MELADBBJSA-N 0 3 299.484 2.396 10 0 CEAEHN CCCCc1noc([C@H](C)N2CCN3CCC[C@@H]3C2)n1 ZINC000171639694 165051390 /nfs/dbraw/zinc/05/13/90/165051390.db2.gz AXUAAGZIGXMDBK-QWHCGFSZSA-N 0 3 278.400 2.253 10 0 CEAEHN CC(C)CC1(CNC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000176539422 165167805 /nfs/dbraw/zinc/16/78/05/165167805.db2.gz WGFVKMCFIZIHIG-AWEZNQCLSA-N 0 3 279.428 2.302 10 0 CEAEHN CCCCCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1CC ZINC000177713110 165207015 /nfs/dbraw/zinc/20/70/15/165207015.db2.gz XKXUHNLQSWASAG-CABCVRRESA-N 0 3 283.460 2.097 10 0 CEAEHN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)C1CCC1 ZINC000178492371 165245664 /nfs/dbraw/zinc/24/56/64/165245664.db2.gz JNZYQKRLHZQEPV-PWSUYJOCSA-N 0 3 264.373 2.038 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCO1 ZINC000180428547 165308389 /nfs/dbraw/zinc/30/83/89/165308389.db2.gz ZCUGKQFAGZHBHB-ZJIFWQFVSA-N 0 3 296.455 2.427 10 0 CEAEHN CCc1nc2c(s1)[C@@H](NC[C@@H]1CN(C)CCO1)CCC2 ZINC000180501552 165314086 /nfs/dbraw/zinc/31/40/86/165314086.db2.gz QZMPXNSYSSLCKG-NEPJUHHUSA-N 0 3 295.452 2.003 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@H]1CCc3ccccc31)CC2 ZINC000180611392 165318063 /nfs/dbraw/zinc/31/80/63/165318063.db2.gz BFJLBDJLOHVWIR-ZFWWWQNUSA-N 0 3 282.391 2.432 10 0 CEAEHN CCCc1cnc(NC(=O)N2CCN3CCC[C@H]3C2)s1 ZINC000180848330 165319710 /nfs/dbraw/zinc/31/97/10/165319710.db2.gz RKMDQGILYUPOIF-NSHDSACASA-N 0 3 294.424 2.408 10 0 CEAEHN COc1ccc([C@H](CN)N(C)CC2CC2)c(OC)c1 ZINC000020226495 171091087 /nfs/dbraw/zinc/09/10/87/171091087.db2.gz BONIMEAXPLCTQV-AWEZNQCLSA-N 0 3 264.369 2.045 10 0 CEAEHN CCCN(C)[C@@H](CN)c1cccc(OC)c1OC ZINC000020226676 171092325 /nfs/dbraw/zinc/09/23/25/171092325.db2.gz OLDTWYXFUOPKME-LBPRGKRZSA-N 0 3 252.358 2.045 10 0 CEAEHN N[C@@H](CN1CCOC1=O)c1ccc2ccccc2c1 ZINC000020262244 171119962 /nfs/dbraw/zinc/11/99/62/171119962.db2.gz LZUVRTYPXOMLJF-AWEZNQCLSA-N 0 3 256.305 2.292 10 0 CEAEHN C[C@H](NCCCN(C)c1ccccc1)C(=O)NC(C)(C)C ZINC000020361865 171160094 /nfs/dbraw/zinc/16/00/94/171160094.db2.gz BOPOBICTUDDGRR-AWEZNQCLSA-N 0 3 291.439 2.406 10 0 CEAEHN Cc1ccccc1OC1CCN(CCn2cncn2)CC1 ZINC000020515778 171232468 /nfs/dbraw/zinc/23/24/68/171232468.db2.gz WMMLQWRRERNSLO-UHFFFAOYSA-N 0 3 286.379 2.130 10 0 CEAEHN CCCC1N=NC(=S)N1C[C@H]1CCCN1CC ZINC000020590102 171260765 /nfs/dbraw/zinc/26/07/65/171260765.db2.gz UFAYNMWQOYFFSC-SNVBAGLBSA-N 0 3 254.403 2.004 10 0 CEAEHN Cc1cc(C)n([C@H](C)C(=O)Nc2ccccc2CN)n1 ZINC000022166561 171366183 /nfs/dbraw/zinc/36/61/83/171366183.db2.gz UIJHJMXYXBEALC-GFCCVEGCSA-N 0 3 272.352 2.158 10 0 CEAEHN Cc1ccsc1[C@@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000022175142 171369701 /nfs/dbraw/zinc/36/97/01/171369701.db2.gz MDPAFPAXNWVLIR-GRYCIOLGSA-N 0 3 254.399 2.166 10 0 CEAEHN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccccc1CN ZINC000022177189 171370866 /nfs/dbraw/zinc/37/08/66/171370866.db2.gz WFTNUEOUTXDLMM-TXEJJXNPSA-N 0 3 282.409 2.097 10 0 CEAEHN C[C@H](NS(=O)(=O)c1ccccc1CN)c1ccccc1 ZINC000022212400 171373771 /nfs/dbraw/zinc/37/37/71/171373771.db2.gz MUAJMRPQIMFYNI-LBPRGKRZSA-N 0 3 290.388 2.185 10 0 CEAEHN CCN(C1CCCCC1)S(=O)(=O)c1cccc(CN)c1 ZINC000022223094 171379364 /nfs/dbraw/zinc/37/93/64/171379364.db2.gz ULXMCIMUYMJYEX-UHFFFAOYSA-N 0 3 296.436 2.489 10 0 CEAEHN CCOc1ccc([C@@H](N)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022566250 171391823 /nfs/dbraw/zinc/39/18/23/171391823.db2.gz LPXFXYVTPRAHRH-ZENOOKHLSA-N 0 3 278.396 2.194 10 0 CEAEHN CCNCc1cc2c(cc1Br)OCO2 ZINC000035112265 171986156 /nfs/dbraw/zinc/98/61/56/171986156.db2.gz ZZFXFVFPOJAMBQ-UHFFFAOYSA-N 0 3 258.115 2.287 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)N[C@@H](C)CCc1ccco1 ZINC000035224755 172069774 /nfs/dbraw/zinc/06/97/74/172069774.db2.gz IGHWATOEAOUENV-STQMWFEESA-N 0 3 266.385 2.447 10 0 CEAEHN CC(C)(C)[C@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000035411238 172182986 /nfs/dbraw/zinc/18/29/86/172182986.db2.gz FINVKIUIORHPCE-GFCCVEGCSA-N 0 3 261.325 2.380 10 0 CEAEHN CCNCc1cccc(OC)c1OCCOCC ZINC000035413559 172186061 /nfs/dbraw/zinc/18/60/61/172186061.db2.gz ULCDTXJOTGBXQC-UHFFFAOYSA-N 0 3 253.342 2.220 10 0 CEAEHN CC(C)NCc1c(N(C)C2CC2)nc2sccn12 ZINC000035430077 172198321 /nfs/dbraw/zinc/19/83/21/172198321.db2.gz ANCXOXVUJJGZIE-UHFFFAOYSA-N 0 3 264.398 2.492 10 0 CEAEHN CN[C@@H](c1ccsc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488332 172223214 /nfs/dbraw/zinc/22/32/14/172223214.db2.gz QLRGAUDHCSIFBS-GFCCVEGCSA-N 0 3 259.334 2.227 10 0 CEAEHN CCNCc1cc(Cl)cc(Cl)c1OCC(=O)NC ZINC000035662030 172340256 /nfs/dbraw/zinc/34/02/56/172340256.db2.gz CBMBOWCBRCCDNA-UHFFFAOYSA-N 0 3 291.178 2.228 10 0 CEAEHN C[C@H](NCC(=O)Nc1ccccc1Cl)[C@H]1CCCO1 ZINC000035735813 172388292 /nfs/dbraw/zinc/38/82/92/172388292.db2.gz XRDGCHJRQDICNX-GXFFZTMASA-N 0 3 282.771 2.436 10 0 CEAEHN CN[C@H]1c2cccc(Cl)c2S(=O)(=O)C[C@@H]1C ZINC000035761272 172399814 /nfs/dbraw/zinc/39/98/14/172399814.db2.gz WVNXRWIUNKBVDK-OIBJUYFYSA-N 0 3 259.758 2.024 10 0 CEAEHN C[C@H]1COCCN1[C@@H](CN)c1ccc(Br)cc1 ZINC000035775078 172409977 /nfs/dbraw/zinc/40/99/77/172409977.db2.gz VPCWHIDFHCVEEA-GWCFXTLKSA-N 0 3 299.212 2.170 10 0 CEAEHN CC[C@H](C)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186496 173017262 /nfs/dbraw/zinc/01/72/62/173017262.db2.gz MRJZGFZYBCDSRD-JQWIXIFHSA-N 0 3 253.367 2.293 10 0 CEAEHN COC(=O)CCN[C@H](C)c1c(C)cc(C)nc1C ZINC000037252238 173064687 /nfs/dbraw/zinc/06/46/87/173064687.db2.gz BSGHGDDHZZVFNA-LLVKDONJSA-N 0 3 250.342 2.221 10 0 CEAEHN COC1CCN([C@@H](CN)c2ccccc2Cl)CC1 ZINC000037266005 173074815 /nfs/dbraw/zinc/07/48/15/173074815.db2.gz CDVPOEOCRGLXAF-AWEZNQCLSA-N 0 3 268.788 2.451 10 0 CEAEHN CN(Cc1nc2ccc(N)cc2[nH]1)[C@H]1CCSC1 ZINC000037273579 173085899 /nfs/dbraw/zinc/08/58/99/173085899.db2.gz QAUFISWDWCZONC-JTQLQIEISA-N 0 3 262.382 2.082 10 0 CEAEHN CCOc1cc2c(cc1CNCCC(=O)OC)O[C@@H](C)C2 ZINC000037301304 173107470 /nfs/dbraw/zinc/10/74/70/173107470.db2.gz JNQMGUVFHHEQIQ-NSHDSACASA-N 0 3 293.363 2.061 10 0 CEAEHN COC(=O)c1occc1CN[C@H](CC(C)C)CN(C)C ZINC000037321660 173121634 /nfs/dbraw/zinc/12/16/34/173121634.db2.gz PQPIRIASCBJDDA-CYBMUJFWSA-N 0 3 282.384 2.132 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000037386459 173170390 /nfs/dbraw/zinc/17/03/90/173170390.db2.gz PUTSHPSCANNABK-SNVBAGLBSA-N 0 3 266.341 2.030 10 0 CEAEHN CC(C)NCC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000037396011 173176555 /nfs/dbraw/zinc/17/65/55/173176555.db2.gz YJERMZBRVBZUQF-NXEZZACHSA-N 0 3 266.307 2.222 10 0 CEAEHN N[C@H](Cc1ccccc1Br)c1cnccn1 ZINC000037467110 173226721 /nfs/dbraw/zinc/22/67/21/173226721.db2.gz KHYVEIZSBMSDSM-LLVKDONJSA-N 0 3 278.153 2.482 10 0 CEAEHN Cc1nn(C)c(-n2cc(Cl)cn2)c1CNC(C)C ZINC000038053864 174065024 /nfs/dbraw/zinc/06/50/24/174065024.db2.gz TVTBHCMJPYIPAQ-UHFFFAOYSA-N 0 3 267.764 2.066 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)N[C@H](C)Cc1ccco1 ZINC000038092870 174107036 /nfs/dbraw/zinc/10/70/36/174107036.db2.gz WZQHFQXMHACMEG-NEPJUHHUSA-N 0 3 252.358 2.057 10 0 CEAEHN Cc1ccc(Cl)cc1NC(=O)CNC[C@H]1CCOC1 ZINC000038094262 174107562 /nfs/dbraw/zinc/10/75/62/174107562.db2.gz UADBHQYURBFHLV-LLVKDONJSA-N 0 3 282.771 2.213 10 0 CEAEHN OC[C@H](NC1CC1)c1cccc(Br)c1 ZINC000038124278 174131057 /nfs/dbraw/zinc/13/10/57/174131057.db2.gz JFZVNVSHEJKGEH-NSHDSACASA-N 0 3 256.143 2.235 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](OC)CN1 ZINC000040634377 174360360 /nfs/dbraw/zinc/36/03/60/174360360.db2.gz BJBXDTWATKKXPO-ZYHUDNBSSA-N 0 3 298.770 2.054 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3cccc(F)c3)c[nH]2)C1 ZINC000040637740 174361983 /nfs/dbraw/zinc/36/19/83/174361983.db2.gz VGJQQVWRFLABDW-NWDGAFQWSA-N 0 3 261.300 2.265 10 0 CEAEHN COc1ccc2c(c1)[C@@H](NC1CC1)CCC[S@@]2=O ZINC000040975795 174444085 /nfs/dbraw/zinc/44/40/85/174444085.db2.gz GVNXKHBTUIQRQA-SCLBCKFNSA-N 0 3 265.378 2.390 10 0 CEAEHN CC(C)(N)c1cn(Cc2cccc(Br)c2)nn1 ZINC000070118081 414765175 /nfs/dbraw/zinc/76/51/75/414765175.db2.gz LXXOMYPFMIOUMK-UHFFFAOYSA-N 0 3 295.184 2.283 10 0 CEAEHN CN(C(=O)CCc1cccs1)[C@@H](CN)C(F)(F)F ZINC000662977953 414816843 /nfs/dbraw/zinc/81/68/43/414816843.db2.gz MYXVMGQSGLXEKA-VIFPVBQESA-N 0 3 280.315 2.029 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)c(F)c1 ZINC000662982209 414818999 /nfs/dbraw/zinc/81/89/99/414818999.db2.gz YCEPSMHOHBPADW-JTQLQIEISA-N 0 3 278.249 2.096 10 0 CEAEHN Oc1cccc2c1CC[C@H]2NCCO[C@@H]1CC1(F)F ZINC000660651241 414918776 /nfs/dbraw/zinc/91/87/76/414918776.db2.gz ZAPOXTRPPDATTR-DGCLKSJQSA-N 0 3 269.291 2.393 10 0 CEAEHN CCO[C@H]1CCCN(CCOc2cccc(N)c2)C1 ZINC000042408505 174714150 /nfs/dbraw/zinc/71/41/50/174714150.db2.gz ZLFZFUMLWHGENT-HNNXBMFYSA-N 0 3 264.369 2.149 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1ccc(F)c(F)c1F ZINC000657377296 414896417 /nfs/dbraw/zinc/89/64/17/414896417.db2.gz BSEXWQAVUZWVEQ-LDYMZIIASA-N 0 3 259.271 2.355 10 0 CEAEHN CN1C[C@H](CNCc2ccc(F)cc2Cl)CC1=O ZINC000657695731 415051277 /nfs/dbraw/zinc/05/12/77/415051277.db2.gz CSAOAEIAVOMZMT-VIFPVBQESA-N 0 3 270.735 2.047 10 0 CEAEHN CCN1CCC(N(C)c2nc3sccn3c2C=O)CC1 ZINC000042680229 174835002 /nfs/dbraw/zinc/83/50/02/174835002.db2.gz LFYMNBYKQUZFSV-UHFFFAOYSA-N 0 3 292.408 2.129 10 0 CEAEHN CC1(C)Cc2cccc(CNC3CC(CO)C3)c2O1 ZINC000657813157 415090829 /nfs/dbraw/zinc/09/08/29/415090829.db2.gz RJTLVJGBOWTKBJ-UHFFFAOYSA-N 0 3 261.365 2.261 10 0 CEAEHN N[C@@H](c1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000043299791 175000339 /nfs/dbraw/zinc/00/03/39/175000339.db2.gz CHNRLMZKUMUGBL-SWLSCSKDSA-N 0 3 275.373 2.274 10 0 CEAEHN N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043299937 175000362 /nfs/dbraw/zinc/00/03/62/175000362.db2.gz ISIAKCXOABRYCN-RDDDGLTNSA-N 0 3 294.203 2.428 10 0 CEAEHN N[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299966 175000968 /nfs/dbraw/zinc/00/09/68/175000968.db2.gz FQWZNXBRVLMDCT-MWLCHTKSSA-N 0 3 293.310 2.140 10 0 CEAEHN CCCN[C@@H](c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301214 175002032 /nfs/dbraw/zinc/00/20/32/175002032.db2.gz XNLPUWPBDOVTEC-JSGCOSHPSA-N 0 3 285.384 2.301 10 0 CEAEHN COC1CCN([C@@H](c2ccc(C)o2)[C@@H](C)N)CC1 ZINC000043364098 175024911 /nfs/dbraw/zinc/02/49/11/175024911.db2.gz KXOIUGQGILYZPV-BXUZGUMPSA-N 0 3 252.358 2.087 10 0 CEAEHN CCN[C@@H](CN(C)CC)c1ccc2c(c1)OCO2 ZINC000043820437 175113990 /nfs/dbraw/zinc/11/39/90/175113990.db2.gz ILRGUIKXXKAZON-LBPRGKRZSA-N 0 3 250.342 2.018 10 0 CEAEHN CCCN(C)C[C@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043885934 175116871 /nfs/dbraw/zinc/11/68/71/175116871.db2.gz HEJIWYSISFPHQD-AWEZNQCLSA-N 0 3 278.396 2.450 10 0 CEAEHN CN[C@@H](CN1CC[C@@H](C)C1)c1cc(OC)ccc1OC ZINC000043908157 175123441 /nfs/dbraw/zinc/12/34/41/175123441.db2.gz VVQZJQJLFNBNNI-DOMZBBRYSA-N 0 3 278.396 2.306 10 0 CEAEHN CCCN[C@H]1c2ccccc2OC[C@@H]1N(C)CCOC ZINC000043916482 175125633 /nfs/dbraw/zinc/12/56/33/175125633.db2.gz KNWLTGYDKZLYIJ-HOCLYGCPSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN1CCC(N(C)C(=O)C(CC)(CC)C(N)=S)CC1 ZINC000044782164 175253318 /nfs/dbraw/zinc/25/33/18/175253318.db2.gz GFMNIAPSDQGPKI-UHFFFAOYSA-N 0 3 299.484 2.022 10 0 CEAEHN C[C@H](NC(=O)[C@H](CN)Cc1ccccc1)c1cccnc1 ZINC000044801094 175255668 /nfs/dbraw/zinc/25/56/68/175255668.db2.gz LFRCPOPBBSJRNC-BBRMVZONSA-N 0 3 283.375 2.076 10 0 CEAEHN CC(C)N(CC1CC1)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044807695 175256911 /nfs/dbraw/zinc/25/69/11/175256911.db2.gz YTLQHNMZVUJLKY-MRXNPFEDSA-N 0 3 274.408 2.451 10 0 CEAEHN C[C@@H](CNCC(=O)Nc1ccc(F)cc1)N1CCCCC1 ZINC000044993430 175286490 /nfs/dbraw/zinc/28/64/90/175286490.db2.gz AENKJOBZTRFSLC-ZDUSSCGKSA-N 0 3 293.386 2.228 10 0 CEAEHN CCCNC(=O)CCNC1=N[C@H](CC(C)C)CS1 ZINC000045086608 175304371 /nfs/dbraw/zinc/30/43/71/175304371.db2.gz BTANZLNWQFHMMM-LLVKDONJSA-N 0 3 271.430 2.010 10 0 CEAEHN C[C@@H](C(N)=S)N(C)Cc1ccc2ccccc2n1 ZINC000045147132 175317030 /nfs/dbraw/zinc/31/70/30/175317030.db2.gz JDLJQYMEQDWRTL-JTQLQIEISA-N 0 3 259.378 2.341 10 0 CEAEHN CCN(CC[C@](C)(NC1CC1)C(N)=O)c1ccccc1C ZINC000045223110 175331412 /nfs/dbraw/zinc/33/14/12/175331412.db2.gz YOQOIWUEXASNRM-KRWDZBQOSA-N 0 3 289.423 2.207 10 0 CEAEHN CCCN[C@](C)(CN(CC)c1ccccc1C)C(N)=O ZINC000045223017 175331582 /nfs/dbraw/zinc/33/15/82/175331582.db2.gz JUUMGPLVCFSZQC-MRXNPFEDSA-N 0 3 277.412 2.065 10 0 CEAEHN CCN[C@](C)(CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224105 175332037 /nfs/dbraw/zinc/33/20/37/175332037.db2.gz KOSOLTIMQNRMSV-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000045224105 175332038 /nfs/dbraw/zinc/33/20/38/175332038.db2.gz KOSOLTIMQNRMSV-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CN[C@@](CN1CCC(C)CC1)(C(=O)OC)c1ccccc1 ZINC000045225329 175332762 /nfs/dbraw/zinc/33/27/62/175332762.db2.gz KSQFHSFZKZIWCP-QGZVFWFLSA-N 0 3 290.407 2.006 10 0 CEAEHN COC(=O)[C@](C)(CN1[C@@H](C)CCC[C@@H]1C)NC(C)C ZINC000045231813 175335556 /nfs/dbraw/zinc/33/55/56/175335556.db2.gz ABTYGCMWPSURCF-YDHLFZDLSA-N 0 3 270.417 2.179 10 0 CEAEHN CCOC(=O)[C@@](CN(CC)C(C)C)(NC)c1ccccc1 ZINC000045265394 175338331 /nfs/dbraw/zinc/33/83/31/175338331.db2.gz NDMPEEMMUADAIT-KRWDZBQOSA-N 0 3 292.423 2.395 10 0 CEAEHN CCCN[C@@](C)(CN(CC)c1cccc(C)c1)C(N)=O ZINC000045273183 175343900 /nfs/dbraw/zinc/34/39/00/175343900.db2.gz PKFKQAAHUJPXJC-INIZCTEOSA-N 0 3 277.412 2.065 10 0 CEAEHN COC(=O)[C@@](N)(CN(C)[C@@H](C)CC(C)C)c1ccccc1 ZINC000045279910 175349971 /nfs/dbraw/zinc/34/99/71/175349971.db2.gz DBQIVSMFPKEXHM-WMLDXEAASA-N 0 3 292.423 2.380 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281010 175351006 /nfs/dbraw/zinc/35/10/06/175351006.db2.gz PGDSJCKREAISOS-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281010 175351009 /nfs/dbraw/zinc/35/10/09/175351009.db2.gz PGDSJCKREAISOS-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN COc1cccc(CNC(=O)[C@@H](CN)c2ccccc2)c1 ZINC000061611846 175651339 /nfs/dbraw/zinc/65/13/39/175651339.db2.gz KPZIZMWVJHEYEO-INIZCTEOSA-N 0 3 284.359 2.054 10 0 CEAEHN CC[C@H](C)N(CC)S(=O)(=O)c1cc(CN)ccc1C ZINC000070430547 175926145 /nfs/dbraw/zinc/92/61/45/175926145.db2.gz KPALQMKDCQAFIN-LBPRGKRZSA-N 0 3 284.425 2.263 10 0 CEAEHN N[C@H]1CCC(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000070824414 176007235 /nfs/dbraw/zinc/00/72/35/176007235.db2.gz LQSHSPTYSMJVAR-GXSJLCMTSA-N 0 3 259.136 2.272 10 0 CEAEHN Cc1cc(Br)ccc1OC[C@@H]1CNCCO1 ZINC000070834181 176007940 /nfs/dbraw/zinc/00/79/40/176007940.db2.gz NNNDSMSEASKXMM-NSHDSACASA-N 0 3 286.169 2.125 10 0 CEAEHN Cc1ccc([C@@H]2[C@@H](N)CCC(=O)N2C2CC2)s1 ZINC000070987555 176018418 /nfs/dbraw/zinc/01/84/18/176018418.db2.gz CHMAWRNOFBBWMD-GWCFXTLKSA-N 0 3 250.367 2.210 10 0 CEAEHN COC(=O)[C@H](C)CN(C)C[C@H]1OCCc2ccccc21 ZINC000071030889 176022109 /nfs/dbraw/zinc/02/21/09/176022109.db2.gz XXVKKPWJKSDCQZ-IUODEOHRSA-N 0 3 277.364 2.041 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc(Br)cc1 ZINC000071035501 176025196 /nfs/dbraw/zinc/02/51/96/176025196.db2.gz PKOGYELPPCIXNT-LBPRGKRZSA-N 0 3 295.180 2.306 10 0 CEAEHN COc1ccc(N2CC[C@H](NC(C)C)C2=O)cc1C ZINC000071035440 176025369 /nfs/dbraw/zinc/02/53/69/176025369.db2.gz JKJMOYZQVOJEIH-ZDUSSCGKSA-N 0 3 262.353 2.107 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1Cc1ccccc1Cl ZINC000071037823 176026631 /nfs/dbraw/zinc/02/66/31/176026631.db2.gz RRGXCBWMSSJMDY-CYBMUJFWSA-N 0 3 264.756 2.193 10 0 CEAEHN CCN(CCC(N)=S)C[C@@H]1OCCc2ccccc21 ZINC000071091324 176032166 /nfs/dbraw/zinc/03/21/66/176032166.db2.gz JEIBHXYCHZFRFE-AWEZNQCLSA-N 0 3 278.421 2.299 10 0 CEAEHN CC[C@H]1CCCC[C@@]1(NCCN(CC)CC)C(=O)OC ZINC000071162669 176046313 /nfs/dbraw/zinc/04/63/13/176046313.db2.gz VFMXSHKDRAPFBF-HOCLYGCPSA-N 0 3 284.444 2.430 10 0 CEAEHN CCNCc1cccc(N2C(=O)C(C)=C(C)C2=O)c1 ZINC000071164316 176047215 /nfs/dbraw/zinc/04/72/15/176047215.db2.gz SJQOCMNBOYNHCR-UHFFFAOYSA-N 0 3 258.321 2.006 10 0 CEAEHN COC(=O)CCNCc1ccc2c(c1)CC(C)(C)O2 ZINC000071170177 176050798 /nfs/dbraw/zinc/05/07/98/176050798.db2.gz IJOBUAOSXKQLPU-UHFFFAOYSA-N 0 3 263.337 2.053 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1O[C@H]1CCN(C)C1=O ZINC000071183260 176058473 /nfs/dbraw/zinc/05/84/73/176058473.db2.gz ISXOFYYOMARQAL-JSGCOSHPSA-N 0 3 276.380 2.275 10 0 CEAEHN CCC[C@H](C)N(C)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071240405 176094289 /nfs/dbraw/zinc/09/42/89/176094289.db2.gz HEKIOOYWXRNEIX-JTQLQIEISA-N 0 3 288.388 2.094 10 0 CEAEHN C[C@@H]1CCN(Cc2ccc(F)cc2C(N)=S)C1 ZINC000071265871 176099052 /nfs/dbraw/zinc/09/90/52/176099052.db2.gz QMFJLPDEAHVLAY-SECBINFHSA-N 0 3 252.358 2.302 10 0 CEAEHN CCC(C)(C)NC(=O)COc1ccc(C)cc1CNC ZINC000071403494 176154611 /nfs/dbraw/zinc/15/46/11/176154611.db2.gz KBFYGILPVXMZOH-UHFFFAOYSA-N 0 3 278.396 2.398 10 0 CEAEHN CN[C@H](C)c1cn2cccc(Br)c2n1 ZINC000076792723 177097704 /nfs/dbraw/zinc/09/77/04/177097704.db2.gz MMUBXVKGDRXBFQ-SSDOTTSWSA-N 0 3 254.131 2.377 10 0 CEAEHN Cc1ccc(CNCC(=O)N2CCCCC2)c(C)c1 ZINC000077170750 177229213 /nfs/dbraw/zinc/22/92/13/177229213.db2.gz WSGMPCWXUCJQBU-UHFFFAOYSA-N 0 3 260.381 2.406 10 0 CEAEHN Cc1cc(CN2CCC[C@@H]2C(=O)N(C)C)c(C)s1 ZINC000194368775 270297881 /nfs/dbraw/zinc/29/78/81/270297881.db2.gz IMJNFBLZDCBQFB-CYBMUJFWSA-N 0 3 266.410 2.418 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCCOc2ccccc2)C1 ZINC000194628997 270302232 /nfs/dbraw/zinc/30/22/32/270302232.db2.gz DBOJCSVVILECMD-OAHLLOKOSA-N 0 3 290.407 2.446 10 0 CEAEHN Cc1nnsc1CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000311544299 270333151 /nfs/dbraw/zinc/33/31/51/270333151.db2.gz OCJBJGSPJOFZPF-JHJVBQTASA-N 0 3 281.425 2.362 10 0 CEAEHN Cn1nccc1CNC(C)(C)CCNC(=O)OC(C)(C)C ZINC000397457546 270354013 /nfs/dbraw/zinc/35/40/13/270354013.db2.gz MZSBLYIMUSTZDB-UHFFFAOYSA-N 0 3 296.415 2.203 10 0 CEAEHN CCCS(=O)(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000182742374 276020333 /nfs/dbraw/zinc/02/03/33/276020333.db2.gz VENUXMKWEMTVEJ-CQSZACIVSA-N 0 3 294.420 2.211 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@](C)(O)C1CCCCC1)N(C)C ZINC000190498170 276038552 /nfs/dbraw/zinc/03/85/52/276038552.db2.gz BLFGMYVCQSFFEJ-GDBMZVCRSA-N 0 3 284.444 2.164 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCS[C@H](C)[C@H]2C)C1 ZINC000246410225 276177180 /nfs/dbraw/zinc/17/71/80/276177180.db2.gz QHXMEWHOIADAFN-UPJWGTAASA-N 0 3 285.457 2.006 10 0 CEAEHN CCC1(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCC1 ZINC000158969339 276214881 /nfs/dbraw/zinc/21/48/81/276214881.db2.gz OQRDKCZILUISOJ-STQMWFEESA-N 0 3 252.402 2.412 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@H]2SCCc3sccc32)C1 ZINC000173045977 276873507 /nfs/dbraw/zinc/87/35/07/276873507.db2.gz GLCXIAKSAQKRJR-GWCFXTLKSA-N 0 3 296.461 2.241 10 0 CEAEHN CN1c2ccccc2[C@H](NC[C@@H]2CCCOC2)CC1=O ZINC000038045122 277218888 /nfs/dbraw/zinc/21/88/88/277218888.db2.gz NXACLEVZNZXGSL-GXTWGEPZSA-N 0 3 274.364 2.110 10 0 CEAEHN CC[C@H](N[C@@H](C)C(=O)N1CCOCC1)c1cccs1 ZINC000049530653 522684247 /nfs/dbraw/zinc/68/42/47/522684247.db2.gz GMAPFUYKQFIUHK-RYUDHWBXSA-N 0 3 282.409 2.036 10 0 CEAEHN CC(C)(C)OC(=O)N1CCN[C@H]2CCCC[C@H]2C1 ZINC000095215335 278401100 /nfs/dbraw/zinc/40/11/00/278401100.db2.gz HRQAUZRRQQJTJN-RYUDHWBXSA-N 0 3 254.374 2.386 10 0 CEAEHN C[C@@H]1CN(c2ncccc2Br)[C@H](C)CN1 ZINC000083118982 278816394 /nfs/dbraw/zinc/81/63/94/278816394.db2.gz HQIRJQLWOLYLIC-RKDXNWHRSA-N 0 3 270.174 2.031 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc(Cl)n1 ZINC000051073309 279132581 /nfs/dbraw/zinc/13/25/81/279132581.db2.gz BSWOYGCKQNGICM-LLVKDONJSA-N 0 3 283.803 2.441 10 0 CEAEHN CN(C)C[C@@H](NC(=O)NCC1CCC1)c1ccccc1 ZINC000048217303 279612826 /nfs/dbraw/zinc/61/28/26/279612826.db2.gz WGHJSGUEUPEFKR-OAHLLOKOSA-N 0 3 275.396 2.389 10 0 CEAEHN CC(C)NC(=O)CCNCc1ccnc2ccccc12 ZINC000134613670 280026950 /nfs/dbraw/zinc/02/69/50/280026950.db2.gz BJXLSWCLTVRTAB-UHFFFAOYSA-N 0 3 271.364 2.239 10 0 CEAEHN CC(C)(O)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182800637 280111343 /nfs/dbraw/zinc/11/13/43/280111343.db2.gz MAWAWNUDYXRINW-SNVBAGLBSA-N 0 3 291.317 2.310 10 0 CEAEHN CCC[C@H](CC)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000195394229 280203765 /nfs/dbraw/zinc/20/37/65/280203765.db2.gz IBMFJEKKDKCJQL-STQMWFEESA-N 0 3 255.406 2.349 10 0 CEAEHN CCN1CCC[C@H](N[C@H](C)c2cncc(F)c2)C1 ZINC000246927441 280314464 /nfs/dbraw/zinc/31/44/64/280314464.db2.gz GXKYUUFHONGVJS-RISCZKNCSA-N 0 3 251.349 2.356 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)cc(C)c1F ZINC000134602412 280333962 /nfs/dbraw/zinc/33/39/62/280333962.db2.gz PBSBDWLBWDBTHY-CYBMUJFWSA-N 0 3 264.344 2.219 10 0 CEAEHN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@H](c1ccccc1)N(C)C ZINC000248627079 280355698 /nfs/dbraw/zinc/35/56/98/280355698.db2.gz FCCJGCQIOIDPCA-OCVGTWLNSA-N 0 3 290.407 2.362 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N(C)CCN(C)C)cc1F ZINC000156943587 289205058 /nfs/dbraw/zinc/20/50/58/289205058.db2.gz FVXNHJOWVYXFDP-LBPRGKRZSA-N 0 3 281.375 2.398 10 0 CEAEHN COc1ccc([C@@H](NC[C@H]2CN(C)CCO2)C2CC2)cc1 ZINC000223335392 295216511 /nfs/dbraw/zinc/21/65/11/295216511.db2.gz DSURFNSAWGJXEP-IRXDYDNUSA-N 0 3 290.407 2.067 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)N1CCc2ccccc21 ZINC000246450178 300318521 /nfs/dbraw/zinc/31/85/21/300318521.db2.gz MRXORTGUCWRAIY-ZFWWWQNUSA-N 0 3 285.391 2.338 10 0 CEAEHN CCNCc1cc(CN(CCOC)[C@@H](C)COC)oc1C ZINC000052572324 519987292 /nfs/dbraw/zinc/98/72/92/519987292.db2.gz BPZPAKHLZURMFR-ZDUSSCGKSA-N 0 3 298.427 2.181 10 0 CEAEHN CCNCc1cnn([C@H]2CCCCC[C@H]2O)c1C ZINC000054600498 520017104 /nfs/dbraw/zinc/01/71/04/520017104.db2.gz GLKDJPPJGSBCPT-UONOGXRCSA-N 0 3 251.374 2.167 10 0 CEAEHN CCN[C@@H](CC[N@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000062525953 520083801 /nfs/dbraw/zinc/08/38/01/520083801.db2.gz UMLSTMCRWOQYNI-RUXDESIVSA-N 0 3 270.417 2.340 10 0 CEAEHN CCN[C@@H](CC[N@@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000062525953 520083813 /nfs/dbraw/zinc/08/38/13/520083813.db2.gz UMLSTMCRWOQYNI-RUXDESIVSA-N 0 3 270.417 2.340 10 0 CEAEHN CCN[C@@H](CCN1CCC(CC)CC1)C(=O)OCC ZINC000062526312 520089060 /nfs/dbraw/zinc/08/90/60/520089060.db2.gz OYAWHYIJJSNZNJ-AWEZNQCLSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@](C)(CSCc1cccc(C)c1)C(N)=O ZINC000054966378 520136348 /nfs/dbraw/zinc/13/63/48/520136348.db2.gz DTPHFFMCTRCCJG-AWEZNQCLSA-N 0 3 266.410 2.082 10 0 CEAEHN CCN[C@H](C)c1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053765 520175885 /nfs/dbraw/zinc/17/58/85/520175885.db2.gz HVTDVFDRWFXNDI-PWSUYJOCSA-N 0 3 287.787 2.397 10 0 CEAEHN CCCNc1snnc1CN1CCN(CC(C)C)CC1 ZINC000055081524 520204718 /nfs/dbraw/zinc/20/47/18/520204718.db2.gz YLRMLOZANARPCT-UHFFFAOYSA-N 0 3 297.472 2.134 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1cccc(C)c1C)C(N)=O ZINC000068655481 520239970 /nfs/dbraw/zinc/23/99/70/520239970.db2.gz NGZZNLWNRSWKET-BLLLJJGKSA-N 0 3 278.396 2.314 10 0 CEAEHN CCCOc1cccc([C@H](CN)N(C)[C@@H](C)COC)c1 ZINC000052921150 520468259 /nfs/dbraw/zinc/46/82/59/520468259.db2.gz OBTVMTDHHSYBFQ-BBRMVZONSA-N 0 3 280.412 2.442 10 0 CEAEHN CCN(CC1CC1)c1nc2sccn2c1CNC ZINC000069238789 520971202 /nfs/dbraw/zinc/97/12/02/520971202.db2.gz YTCLINSQUIIRCX-UHFFFAOYSA-N 0 3 264.398 2.352 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000061300357 521943421 /nfs/dbraw/zinc/94/34/21/521943421.db2.gz BIAJADBRVUPRQK-UHFFFAOYSA-N 0 3 258.268 2.225 10 0 CEAEHN CN[C@H](C)c1cnc(N(C)C[C@@H]2CCCO2)s1 ZINC000054907739 522452708 /nfs/dbraw/zinc/45/27/08/522452708.db2.gz UQQAXJFJJYXNCD-ZJUUUORDSA-N 0 3 255.387 2.039 10 0 CEAEHN CC(C)C[C@@H](N[C@@H](C)Cc1ccco1)C(=O)N(C)C ZINC000062769976 519252344 /nfs/dbraw/zinc/25/23/44/519252344.db2.gz QBOBWBKMXUHFNF-GXTWGEPZSA-N 0 3 266.385 2.303 10 0 CEAEHN CC(C)CCC[C@@H](C)NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049631410 519645675 /nfs/dbraw/zinc/64/56/75/519645675.db2.gz ZAKXJVALUPTTMR-ZIAGYGMSSA-N 0 3 290.473 2.263 10 0 CEAEHN CC(C)N1CCN(Cc2cc3ccccc3nc2N)CC1 ZINC000050813871 519682428 /nfs/dbraw/zinc/68/24/28/519682428.db2.gz VLORSHQANWAMBO-UHFFFAOYSA-N 0 3 284.407 2.343 10 0 CEAEHN CC(C)CN1CCN([C@@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000055080957 519727552 /nfs/dbraw/zinc/72/75/52/519727552.db2.gz VYWHXTWFDFCBNB-DOTOQJQBSA-N 0 3 276.424 2.382 10 0 CEAEHN CC(C)CN1CCN(c2cc(N)cc(F)c2)CC1 ZINC000055085633 519728346 /nfs/dbraw/zinc/72/83/46/519728346.db2.gz NZBZNHUDYVKSCW-UHFFFAOYSA-N 0 3 251.349 2.186 10 0 CEAEHN CC(C)CN1CCN(c2ccc(C(N)=S)cc2F)CC1 ZINC000055080677 519728366 /nfs/dbraw/zinc/72/83/66/519728366.db2.gz NVWTWOOEHQATTI-UHFFFAOYSA-N 0 3 295.427 2.238 10 0 CEAEHN CC(C)Oc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282525750 519779958 /nfs/dbraw/zinc/77/99/58/519779958.db2.gz YOBJBTAONHPVSH-SWLSCSKDSA-N 0 3 276.380 2.231 10 0 CEAEHN CC(C)Oc1ccc([C@](O)(CN)C(F)(F)F)cc1 ZINC000062784664 519782109 /nfs/dbraw/zinc/78/21/09/519782109.db2.gz OPPFQEBUFIKRQW-LLVKDONJSA-N 0 3 263.259 2.182 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1c[nH]c2cc(N)ccc12 ZINC000049192075 519793328 /nfs/dbraw/zinc/79/33/28/519793328.db2.gz HTTDWANIHLVKMH-OAHLLOKOSA-N 0 3 288.395 2.066 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1cccc2c1CCCN2 ZINC000061412305 519814391 /nfs/dbraw/zinc/81/43/91/519814391.db2.gz GHSYIRXONMAFMI-INIZCTEOSA-N 0 3 289.423 2.361 10 0 CEAEHN CCCN1CCN(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560740 519858747 /nfs/dbraw/zinc/85/87/47/519858747.db2.gz IBWGPDYDGLAFML-IKGGRYGDSA-N 0 3 282.472 2.447 10 0 CEAEHN CCC1CC[NH+]([C@H](C)C[C@@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000068638257 519859803 /nfs/dbraw/zinc/85/98/03/519859803.db2.gz OQBIBDMGWHNFAI-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN CCC1CCN([C@H](C)C[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000068638257 519859806 /nfs/dbraw/zinc/85/98/06/519859806.db2.gz OQBIBDMGWHNFAI-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCNCc1c(C)nn(C)c1N1CCSC[C@H]1C ZINC000070220677 519942506 /nfs/dbraw/zinc/94/25/06/519942506.db2.gz VMHANSKJNGIZSW-LLVKDONJSA-N 0 3 282.457 2.170 10 0 CEAEHN CC(C)n1cc(N)cc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000049500482 519961901 /nfs/dbraw/zinc/96/19/01/519961901.db2.gz JPHHNJPQHJAGDY-CYBMUJFWSA-N 0 3 292.427 2.255 10 0 CEAEHN CCCNCc1occc1CN(CCOC)[C@H](C)COC ZINC000052572349 519972332 /nfs/dbraw/zinc/97/23/32/519972332.db2.gz PXULLAQSHMTVFZ-CQSZACIVSA-N 0 3 298.427 2.263 10 0 CEAEHN CCCNCc1occc1CN(CCCOC)CCOC ZINC000052543248 519972705 /nfs/dbraw/zinc/97/27/05/519972705.db2.gz XSEKTIIBQLEJFD-UHFFFAOYSA-N 0 3 298.427 2.264 10 0 CEAEHN CCNCc1cc(CN2CCO[C@@H]3CCC[C@@H]32)oc1C ZINC000052540184 519989233 /nfs/dbraw/zinc/98/92/33/519989233.db2.gz HHYIAMGDMIMAAE-JKSUJKDBSA-N 0 3 278.396 2.451 10 0 CEAEHN CCCN[C@@H](CS(C)(=O)=O)c1ccc(C)cc1C ZINC000054930570 520011729 /nfs/dbraw/zinc/01/17/29/520011729.db2.gz NLVCUGWFIRXDPQ-AWEZNQCLSA-N 0 3 269.410 2.389 10 0 CEAEHN CCCN[C@@H](Cc1ccc(C)c(C)c1)CS(C)(=O)=O ZINC000052789257 520012965 /nfs/dbraw/zinc/01/29/65/520012965.db2.gz ADMZAJAMADCFKB-HNNXBMFYSA-N 0 3 283.437 2.259 10 0 CEAEHN CCNCc1cnc(N2C[C@@H](C)OC[C@H]2CC)s1 ZINC000054908771 520018351 /nfs/dbraw/zinc/01/83/51/520018351.db2.gz OCFJWISHHRJBCW-GHMZBOCLSA-N 0 3 269.414 2.256 10 0 CEAEHN CCNCc1nccn1Cc1cnn(-c2ccccc2)c1 ZINC000051004979 520022542 /nfs/dbraw/zinc/02/25/42/520022542.db2.gz CQXMVTSAUOSWCT-UHFFFAOYSA-N 0 3 281.363 2.227 10 0 CEAEHN CCNCc1oc(CN2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000052540410 520027462 /nfs/dbraw/zinc/02/74/62/520027462.db2.gz NYTGAWJXQZUALD-LSDHHAIUSA-N 0 3 278.396 2.451 10 0 CEAEHN CCN[C@@H](C)c1cc(C)ccc1OC[C@H](O)COCC ZINC000069275536 520073908 /nfs/dbraw/zinc/07/39/08/520073908.db2.gz VEAOPWIECVBFSK-UONOGXRCSA-N 0 3 281.396 2.442 10 0 CEAEHN CCN[C@@H](C)c1cc(F)ccc1Sc1n[nH]c(=O)n1C ZINC000061592937 520073945 /nfs/dbraw/zinc/07/39/45/520073945.db2.gz AQUJBPDOQBQTBK-QMMMGPOBSA-N 0 3 296.371 2.069 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCC(=O)N(C)CC ZINC000062747054 520075264 /nfs/dbraw/zinc/07/52/64/520075264.db2.gz YMRQOLKULBJUEU-NSHDSACASA-N 0 3 282.359 2.353 10 0 CEAEHN CCCN[C@H]1COc2cc(O[C@@H](C)C(=O)OCC)ccc21 ZINC000062805034 520098665 /nfs/dbraw/zinc/09/86/65/520098665.db2.gz QAOMEGRHACXXFD-FZMZJTMJSA-N 0 3 293.363 2.450 10 0 CEAEHN CCN[C@@H](Cc1ncc[nH]1)c1ccc(OC)c(F)c1 ZINC000061668927 520107081 /nfs/dbraw/zinc/10/70/81/520107081.db2.gz LARIUSXGIFQIBG-LBPRGKRZSA-N 0 3 263.316 2.451 10 0 CEAEHN CCN[C@@H](c1ccc(F)c(F)c1)[C@@H]1COCCO1 ZINC000055300098 520110077 /nfs/dbraw/zinc/11/00/77/520110077.db2.gz WTDYIUDWFNZSPK-STQMWFEESA-N 0 3 257.280 2.031 10 0 CEAEHN CCCN[C@](CN(C)CC1CCC1)(C(=O)OCC)C1CC1 ZINC000069231914 520117727 /nfs/dbraw/zinc/11/77/27/520117727.db2.gz LKZUSFHRLODBFF-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCN[C@](COc1ccc(C)cc1C)(C(N)=O)C1CC1 ZINC000069196982 520123810 /nfs/dbraw/zinc/12/38/10/520123810.db2.gz FVWWVUSZARVIIT-KRWDZBQOSA-N 0 3 290.407 2.316 10 0 CEAEHN CCCN[C@](COc1cc(C)ccc1C)(C(N)=O)C1CC1 ZINC000069197286 520124078 /nfs/dbraw/zinc/12/40/78/520124078.db2.gz RVVQORNJXCCLHB-KRWDZBQOSA-N 0 3 290.407 2.316 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Sc1ccc(OC)cc1)C(N)=O ZINC000068635824 520146610 /nfs/dbraw/zinc/14/66/10/520146610.db2.gz QGSHQZPNZRQSSD-NHYWBVRUSA-N 0 3 296.436 2.419 10 0 CEAEHN CCN[C@@](CN1CCCC(C)(C)C1)(C(=O)OCC)C1CC1 ZINC000069516682 520153670 /nfs/dbraw/zinc/15/36/70/520153670.db2.gz RZSYXFZNDBKHAH-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCC(=O)OCC ZINC000062746987 520178028 /nfs/dbraw/zinc/17/80/28/520178028.db2.gz JJGSJYIAUVDUCW-SNVBAGLBSA-N 0 3 269.316 2.438 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@H]1CCOC1=O ZINC000062746959 520178494 /nfs/dbraw/zinc/17/84/94/520178494.db2.gz DWWJODCXDSYCNB-SKDRFNHKSA-N 0 3 267.300 2.191 10 0 CEAEHN CCN[C@H](c1ccc(F)c(F)c1)[C@H]1COCCO1 ZINC000055300104 520208617 /nfs/dbraw/zinc/20/86/17/520208617.db2.gz WTDYIUDWFNZSPK-CHWSQXEVSA-N 0 3 257.280 2.031 10 0 CEAEHN CCN[C@H]1CCN([C@@H](C)c2ccc(C)s2)C1=O ZINC000049649179 520215918 /nfs/dbraw/zinc/21/59/18/520215918.db2.gz QZVJDIUYCOYKRC-QWRGUYRKSA-N 0 3 252.383 2.328 10 0 CEAEHN CCN[C@H]1CCN([C@H]2CCCc3sccc32)C1=O ZINC000061363720 520218655 /nfs/dbraw/zinc/21/86/55/520218655.db2.gz JZVZKPSCCLMESQ-RYUDHWBXSA-N 0 3 264.394 2.336 10 0 CEAEHN CCN[C@H]1COc2cc(OCC(=O)NC(C)(C)C)ccc21 ZINC000062804896 520222212 /nfs/dbraw/zinc/22/22/12/520222212.db2.gz QHPVMDBTYXBGCR-ZDUSSCGKSA-N 0 3 292.379 2.023 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)N(CC)c1ccccc1C)C(N)=O ZINC000068616687 520236726 /nfs/dbraw/zinc/23/67/26/520236726.db2.gz IFGXDXJXMOEPRC-RHSMWYFYSA-N 0 3 291.439 2.453 10 0 CEAEHN CCNc1ccc(C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000050743462 520287709 /nfs/dbraw/zinc/28/77/09/520287709.db2.gz IFZXZWQWDQHRRK-HNNXBMFYSA-N 0 3 275.396 2.333 10 0 CEAEHN CCNc1ccccc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062984940 520338336 /nfs/dbraw/zinc/33/83/36/520338336.db2.gz VQBARGLARFZEJD-AWEZNQCLSA-N 0 3 287.407 2.429 10 0 CEAEHN CCCOc1ccc(CNCCOC)c(OC)c1 ZINC000062727419 520367011 /nfs/dbraw/zinc/36/70/11/520367011.db2.gz GOBFJZIWPXYCJU-UHFFFAOYSA-N 0 3 253.342 2.220 10 0 CEAEHN CCCOc1cccc(C[C@H](CN)C(=O)N2CCCC2)c1 ZINC000052920869 520456406 /nfs/dbraw/zinc/45/64/06/520456406.db2.gz LZBKDLOULAHVFS-OAHLLOKOSA-N 0 3 290.407 2.215 10 0 CEAEHN CCN(CC)C(=O)[C@@H](CN)Cc1ccc(F)c(C)c1 ZINC000050544422 520523077 /nfs/dbraw/zinc/52/30/77/520523077.db2.gz JDWXPJPJGXLHNY-CYBMUJFWSA-N 0 3 266.360 2.120 10 0 CEAEHN CCC[C@@H](C(=O)N(C)C[C@H](C)c1nccs1)N(C)C ZINC000183329555 520575421 /nfs/dbraw/zinc/57/54/21/520575421.db2.gz LOMJMCNTIKUPGZ-RYUDHWBXSA-N 0 3 283.441 2.435 10 0 CEAEHN CCC[C@@H](C(=O)NCCCNc1cccc(F)c1)N(C)C ZINC000182061638 520587567 /nfs/dbraw/zinc/58/75/67/520587567.db2.gz SJOJUEJVYKRYSJ-HNNXBMFYSA-N 0 3 295.402 2.474 10 0 CEAEHN CCN(CC)CCc1nc2c(c(NC)n1)CCCC2 ZINC000050852076 520711460 /nfs/dbraw/zinc/71/14/60/520711460.db2.gz QZDCRWGWLAJBFT-UHFFFAOYSA-N 0 3 262.401 2.281 10 0 CEAEHN CCCCOCCOc1ccc2c(c1)OC[C@@H]2N ZINC000062803527 520794559 /nfs/dbraw/zinc/79/45/59/520794559.db2.gz LRIBDBCIBMVGSM-ZDUSSCGKSA-N 0 3 251.326 2.274 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](C)c1nccs1)N(C)C ZINC000183508261 520980741 /nfs/dbraw/zinc/98/07/41/520980741.db2.gz RCZRMVIQPFBWDJ-GHMZBOCLSA-N 0 3 269.414 2.093 10 0 CEAEHN CC1CCN(c2nc(=NN)cc(C(C)(C)C)[nH]2)CC1 ZINC000057331592 521046623 /nfs/dbraw/zinc/04/66/23/521046623.db2.gz VOHBIDLRFMZRGK-UHFFFAOYSA-N 0 3 263.389 2.296 10 0 CEAEHN CCOc1ccc(NC(=O)C(C)(C)NC)cc1OCC ZINC000061300130 521051147 /nfs/dbraw/zinc/05/11/47/521051147.db2.gz NBCLTUGPLQBWNW-UHFFFAOYSA-N 0 3 280.368 2.421 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)N ZINC000062745297 521216697 /nfs/dbraw/zinc/21/66/97/521216697.db2.gz LUUTVVPYSMZDHY-BDAKNGLRSA-N 0 3 255.289 2.176 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCC[C@@H](CC)C1)NC1CC1 ZINC000062449679 521244879 /nfs/dbraw/zinc/24/48/79/521244879.db2.gz ISJASZKHROXDOD-HIFRSBDPSA-N 0 3 282.428 2.182 10 0 CEAEHN CCC[C@](C)(N)C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547226 521277867 /nfs/dbraw/zinc/27/78/67/521277867.db2.gz APGVVSRJPMHABI-YGRLFVJLSA-N 0 3 250.342 2.196 10 0 CEAEHN CCN(Cc1cc(CNCC(C)C)no1)[C@@H](C)COC ZINC000052504853 521288206 /nfs/dbraw/zinc/28/82/06/521288206.db2.gz ARLWZVNZZQGWJA-ZDUSSCGKSA-N 0 3 283.416 2.277 10 0 CEAEHN CCOC(=O)[C@](C)(CN(CC)CC1CC1)NC(C)C ZINC000069239549 521320442 /nfs/dbraw/zinc/32/04/42/521320442.db2.gz UNIGSTYRTRWNHX-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCOC(=O)[C@](CN(C)C[C@@H]1C[C@@H]1C)(NC1CC1)C1CC1 ZINC000069233520 521337271 /nfs/dbraw/zinc/33/72/71/521337271.db2.gz WVVNDHULHUMPBU-GDZNZVCISA-N 0 3 294.439 2.038 10 0 CEAEHN CCOC(=O)[C@](CN1CCC(C)(C)CC1)(NC)C1CC1 ZINC000069232052 521339797 /nfs/dbraw/zinc/33/97/97/521339797.db2.gz JBJCWGMTEUVHFD-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCC(CC)CN(CC)S(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631328 521520108 /nfs/dbraw/zinc/52/01/08/521520108.db2.gz ZIEBGPNNSHFUOI-AWEZNQCLSA-N 0 3 290.473 2.216 10 0 CEAEHN CCCc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1CNC ZINC000054995516 521534514 /nfs/dbraw/zinc/53/45/14/521534514.db2.gz QPPDBARBVBJYPN-PHIMTYICSA-N 0 3 283.441 2.429 10 0 CEAEHN CCN1CCC(O)(c2ccc(OC)cc2OC)CC1 ZINC000055232481 521582849 /nfs/dbraw/zinc/58/28/49/521582849.db2.gz UHQIWXVRUYKUEM-UHFFFAOYSA-N 0 3 265.353 2.007 10 0 CEAEHN CCN1CCC(O)(c2ccc(OC)c(F)c2)CC1 ZINC000055261615 521583431 /nfs/dbraw/zinc/58/34/31/521583431.db2.gz HKUXFDSFCWPQGR-UHFFFAOYSA-N 0 3 253.317 2.138 10 0 CEAEHN CCS(=O)(=O)CCOc1ccccc1CNC(C)(C)C ZINC000062729249 521645250 /nfs/dbraw/zinc/64/52/50/521645250.db2.gz VJFPRSIZTASUQI-UHFFFAOYSA-N 0 3 299.436 2.388 10 0 CEAEHN CCN1CCN(C[C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560754 521687216 /nfs/dbraw/zinc/68/72/16/521687216.db2.gz MQORBXSUWZGWHT-XHSDSOJGSA-N 0 3 268.445 2.057 10 0 CEAEHN CCNC(=O)CCNCc1ccc(C(F)(F)F)cc1 ZINC000061626771 521735949 /nfs/dbraw/zinc/73/59/49/521735949.db2.gz MHWWLCBOMLMBBY-UHFFFAOYSA-N 0 3 274.286 2.321 10 0 CEAEHN COCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000052808815 521820047 /nfs/dbraw/zinc/82/00/47/521820047.db2.gz WVNVISGPSQVDOE-KGLIPLIRSA-N 0 3 296.798 2.367 10 0 CEAEHN COCC[C@@H](N)C(=O)Nc1ccc2sccc2c1 ZINC000052792132 521828046 /nfs/dbraw/zinc/82/80/46/521828046.db2.gz XSZUBWHNONHQSY-LLVKDONJSA-N 0 3 264.350 2.204 10 0 CEAEHN COCC[C@@H](N)C(=O)Nc1ccccc1C(F)(F)F ZINC000052790764 521829228 /nfs/dbraw/zinc/82/92/28/521829228.db2.gz GSAPNTMRIWCTBF-SECBINFHSA-N 0 3 276.258 2.008 10 0 CEAEHN COc1c(CNC2C(C)(C)C2(C)C)c(C)nn1C ZINC000164277499 521832811 /nfs/dbraw/zinc/83/28/11/521832811.db2.gz NQLMJEBXGVXCMR-UHFFFAOYSA-N 0 3 251.374 2.261 10 0 CEAEHN CN(C)C[C@H]1CCCN1CC(=O)c1cc(F)ccc1F ZINC000061645652 521866205 /nfs/dbraw/zinc/86/62/05/521866205.db2.gz CXEDXSAUKSCJIX-GFCCVEGCSA-N 0 3 282.334 2.174 10 0 CEAEHN CCc1ccccc1O[C@@H](C)C[C@](C)(NC1CC1)C(N)=O ZINC000068657435 521925417 /nfs/dbraw/zinc/92/54/17/521925417.db2.gz AEGGMYUBWHLQJV-SJCJKPOMSA-N 0 3 290.407 2.402 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000061316479 521942721 /nfs/dbraw/zinc/94/27/21/521942721.db2.gz MEWPZEMLRPDEIA-UHFFFAOYSA-N 0 3 257.337 2.414 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000061300695 521943602 /nfs/dbraw/zinc/94/36/02/521943602.db2.gz XIYOXBSUIDRYHC-UHFFFAOYSA-N 0 3 264.325 2.130 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000061316693 521943683 /nfs/dbraw/zinc/94/36/83/521943683.db2.gz FGHUOMJASVBRLF-UHFFFAOYSA-N 0 3 261.369 2.223 10 0 CEAEHN COCC[C@H](N)c1nc(-c2cc(F)ccc2F)c[nH]1 ZINC000052811119 521950729 /nfs/dbraw/zinc/95/07/29/521950729.db2.gz XAMWFZZGZKUJIJ-NSHDSACASA-N 0 3 267.279 2.391 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1csc(CNC)n1 ZINC000052547165 522091434 /nfs/dbraw/zinc/09/14/34/522091434.db2.gz GUVXGPHZCVFRLS-LLVKDONJSA-N 0 3 271.430 2.109 10 0 CEAEHN CNCc1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC000052482298 522105754 /nfs/dbraw/zinc/10/57/54/522105754.db2.gz WCHYMIISLYDMRI-QWHCGFSZSA-N 0 3 263.385 2.406 10 0 CEAEHN CNCc1cc(Cl)ccc1OCc1ncccn1 ZINC000054458329 522110406 /nfs/dbraw/zinc/11/04/06/522110406.db2.gz VFEYALATMKQBNY-UHFFFAOYSA-N 0 3 263.728 2.428 10 0 CEAEHN CNCc1cc(F)ccc1N1CCC[C@@H]1CCCO ZINC000052761748 522115256 /nfs/dbraw/zinc/11/52/56/522115256.db2.gz VSONZQRQTPBKDL-CQSZACIVSA-N 0 3 266.360 2.286 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@@H]2CCCCC2=O)CC1 ZINC000055071462 522124159 /nfs/dbraw/zinc/12/41/59/522124159.db2.gz DTQVAQVTBWVQGF-KGLIPLIRSA-N 0 3 252.402 2.162 10 0 CEAEHN CN(C)c1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 ZINC000045893133 522128669 /nfs/dbraw/zinc/12/86/69/522128669.db2.gz ZYQOXGCTRQTNJE-LBPRGKRZSA-N 0 3 258.325 2.227 10 0 CEAEHN CC[C@@H](C)N1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069181944 522138040 /nfs/dbraw/zinc/13/80/40/522138040.db2.gz ZMVRUWALXYNLCN-LLVKDONJSA-N 0 3 294.468 2.400 10 0 CEAEHN CNCc1cnc(-c2ccc3ncccc3c2)nc1 ZINC000062802635 522145558 /nfs/dbraw/zinc/14/55/58/522145558.db2.gz UFKGFRBXQCFQDF-UHFFFAOYSA-N 0 3 250.305 2.411 10 0 CEAEHN CNCc1oc(CN2CCO[C@H]3CCCC[C@@H]32)cc1C ZINC000052573248 522161458 /nfs/dbraw/zinc/16/14/58/522161458.db2.gz CEUCTUKFFQVFKN-GJZGRUSLSA-N 0 3 278.396 2.451 10 0 CEAEHN CNCc1oc2ccccc2c1Cn1nc(C)nc1C ZINC000052574373 522162138 /nfs/dbraw/zinc/16/21/38/522162138.db2.gz SKGZEGMWEZBXSY-UHFFFAOYSA-N 0 3 270.336 2.409 10 0 CEAEHN COc1cc(C)ccc1Oc1ccnc(C(=N)N)c1 ZINC000061814495 522280835 /nfs/dbraw/zinc/28/08/35/522280835.db2.gz TYWAVPOYFVEITI-UHFFFAOYSA-N 0 3 257.293 2.475 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000049569945 522303188 /nfs/dbraw/zinc/30/31/88/522303188.db2.gz ARCOIMJARHYGOQ-PRHODGIISA-N 0 3 254.305 2.146 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCC(=O)N(C)C(C)C ZINC000062746635 522330682 /nfs/dbraw/zinc/33/06/82/522330682.db2.gz DFCNFAZDJMTIIK-NSHDSACASA-N 0 3 282.359 2.352 10 0 CEAEHN CN[C@@H](CN1CCN(C)C1=O)c1ccc(OC(C)C)cc1 ZINC000052885586 522354878 /nfs/dbraw/zinc/35/48/78/522354878.db2.gz JDJDPLWQVBOUJQ-HNNXBMFYSA-N 0 3 291.395 2.102 10 0 CEAEHN CN[C@@H](Cc1cc(C)ccc1OC)c1cnccn1 ZINC000050706844 522358710 /nfs/dbraw/zinc/35/87/10/522358710.db2.gz JQFVEJHZMKJEMX-ZDUSSCGKSA-N 0 3 257.337 2.297 10 0 CEAEHN CN[C@@H](Cc1cnn(C)c1)c1ccc2ccccc2n1 ZINC000063076135 522362283 /nfs/dbraw/zinc/36/22/83/522362283.db2.gz KRVVNRUSOMVRAI-INIZCTEOSA-N 0 3 266.348 2.472 10 0 CEAEHN CN[C@@H](c1ccc(OC)cc1Cl)[C@H]1COCCO1 ZINC000055300797 522370648 /nfs/dbraw/zinc/37/06/48/522370648.db2.gz WIHOLQGGVOPUFU-OLZOCXBDSA-N 0 3 271.744 2.025 10 0 CEAEHN CN[C@@H](c1cncnc1)C1(c2ccccc2)CCOCC1 ZINC000062783701 522373920 /nfs/dbraw/zinc/37/39/20/522373920.db2.gz PBUUYMWWOAXKEK-INIZCTEOSA-N 0 3 283.375 2.486 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCCCC(=O)OC ZINC000062746263 522447535 /nfs/dbraw/zinc/44/75/35/522447535.db2.gz LSCIOTKFDGSQKG-SNVBAGLBSA-N 0 3 269.316 2.438 10 0 CEAEHN COc1cc(CN[C@@H]2C[C@@H]2C)cc(OC)c1OC ZINC000052269327 522481449 /nfs/dbraw/zinc/48/14/49/522481449.db2.gz XFPVHDBEATUEKC-GXSJLCMTSA-N 0 3 251.326 2.210 10 0 CEAEHN CNc1c(F)cccc1C(=O)NC[C@H]1CCCCN1C ZINC000054210250 522547057 /nfs/dbraw/zinc/54/70/57/522547057.db2.gz UZFHMRAVHCDNBY-LLVKDONJSA-N 0 3 279.359 2.082 10 0 CEAEHN CC[C@H](NS(=O)(=O)CCNC(C)C)C1CCCCC1 ZINC000052344045 522678026 /nfs/dbraw/zinc/67/80/26/522678026.db2.gz FRGBWFADESHRDY-AWEZNQCLSA-N 0 3 290.473 2.263 10 0 CEAEHN CC[C@H](O)COc1ccc(Cl)cc1CNCCOC ZINC000062731040 522822076 /nfs/dbraw/zinc/82/20/76/522822076.db2.gz GEPVKHYUEXTHFE-ZDUSSCGKSA-N 0 3 287.787 2.226 10 0 CEAEHN COc1cc(OC)cc(O[C@@H](CN)c2ccncc2)c1 ZINC000068800559 522875691 /nfs/dbraw/zinc/87/56/91/522875691.db2.gz FNSVSDLSBGKOHI-HNNXBMFYSA-N 0 3 274.320 2.178 10 0 CEAEHN CCn1c(=O)[nH]nc1Sc1ccc(F)cc1[C@H](C)NC ZINC000061595854 523096656 /nfs/dbraw/zinc/09/66/56/523096656.db2.gz FOGVUJBFUCYOMU-QMMMGPOBSA-N 0 3 296.371 2.162 10 0 CEAEHN CCn1c2cc(F)ccc2nc1[C@@H](N)CCOC ZINC000052785298 523256790 /nfs/dbraw/zinc/25/67/90/523256790.db2.gz IUDDRZZJRWORJU-JTQLQIEISA-N 0 3 251.305 2.232 10 0 CEAEHN CN(Cc1cccc(F)c1)c1ccnc(C(=N)N)c1 ZINC000061814046 523315259 /nfs/dbraw/zinc/31/52/59/523315259.db2.gz UFWLVCWSUZPMIX-UHFFFAOYSA-N 0 3 258.300 2.141 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1nc2ccccn2c1CNC ZINC000048916156 523346569 /nfs/dbraw/zinc/34/65/69/523346569.db2.gz GEUNZVZHHJJFIK-STQMWFEESA-N 0 3 288.395 2.057 10 0 CEAEHN COCCN(C)Cc1cc(CNC(C)(C)C)co1 ZINC000052572888 523618552 /nfs/dbraw/zinc/61/85/52/523618552.db2.gz KZZXCWLKWNFFCX-UHFFFAOYSA-N 0 3 254.374 2.246 10 0 CEAEHN COC(=O)[C@@H](NCCN(C)C)c1csc2ccccc21 ZINC000054465343 523626859 /nfs/dbraw/zinc/62/68/59/523626859.db2.gz JKDOODWUYOZOCI-AWEZNQCLSA-N 0 3 292.404 2.267 10 0 CEAEHN COCCN(Cc1ccc(CNC(C)C)o1)[C@H](C)COC ZINC000052572333 523748529 /nfs/dbraw/zinc/74/85/29/523748529.db2.gz DBBWSZSMWAILBB-CQSZACIVSA-N 0 3 298.427 2.261 10 0 CEAEHN COCCN(Cc1occc1CNC1CC1)[C@H](C)COC ZINC000052572321 523779321 /nfs/dbraw/zinc/77/93/21/523779321.db2.gz VYCLHAQTWVPFEB-CYBMUJFWSA-N 0 3 296.411 2.015 10 0 CEAEHN COC(=O)[C@@](CN1CCC(C)CC1)(NC(C)C)C1CC1 ZINC000069092602 523822988 /nfs/dbraw/zinc/82/29/88/523822988.db2.gz RKCYCBWNIQPLLQ-INIZCTEOSA-N 0 3 282.428 2.038 10 0 CEAEHN CN1CCN([C@@H](CN)c2csc3ccccc23)CC1 ZINC000054463848 523916564 /nfs/dbraw/zinc/91/65/64/523916564.db2.gz COLNZIDFFGQJMC-AWEZNQCLSA-N 0 3 275.421 2.149 10 0 CEAEHN COCCNC[C@@](C)(O)c1cc(Cl)ccc1Cl ZINC000055033607 523942474 /nfs/dbraw/zinc/94/24/74/523942474.db2.gz JMOXUTLMGIRURJ-GFCCVEGCSA-N 0 3 278.179 2.437 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@H]2CCCCC[C@@H]2O)CC1 ZINC000055073127 523955129 /nfs/dbraw/zinc/95/51/29/523955129.db2.gz PDLLACUNWDWSST-XHSDSOJGSA-N 0 3 268.445 2.344 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@@H]2C[C@H](C)CCC2=O)CC1 ZINC000055071483 523956010 /nfs/dbraw/zinc/95/60/10/523956010.db2.gz OMEKNJLJVOZAJF-ILXRZTDVSA-N 0 3 266.429 2.408 10 0 CEAEHN CC[C@H](C)NC(=O)COc1cc(F)ccc1[C@@H](C)NC ZINC000062746599 523974698 /nfs/dbraw/zinc/97/46/98/523974698.db2.gz FUMCZBXSXZKOFM-WDEREUQCSA-N 0 3 282.359 2.400 10 0 CEAEHN CCc1ccc(NS(=O)(=O)C[C@H]2CCCCN2)cc1 ZINC000049630862 523995277 /nfs/dbraw/zinc/99/52/77/523995277.db2.gz DKUHJTFMBXSDDI-CQSZACIVSA-N 0 3 282.409 2.133 10 0 CEAEHN CCc1ccc(OCC[C@@](C)(NC(C)C)C(N)=O)cc1 ZINC000045513382 524007075 /nfs/dbraw/zinc/00/70/75/524007075.db2.gz YLIGHIZXRWDCIU-MRXNPFEDSA-N 0 3 278.396 2.260 10 0 CEAEHN CCc1ccc([C@H](CN)N2CCN(CC(C)C)CC2)o1 ZINC000055077941 524048253 /nfs/dbraw/zinc/04/82/53/524048253.db2.gz YMJNQMFJTQQUQS-HNNXBMFYSA-N 0 3 279.428 2.115 10 0 CEAEHN CCc1cccc(CC)c1NC(=O)[C@H](N)CCOC ZINC000052790755 524069237 /nfs/dbraw/zinc/06/92/37/524069237.db2.gz HETYGSUJWOLYPP-CYBMUJFWSA-N 0 3 264.369 2.114 10 0 CEAEHN CCc1cccc(CC)c1NC(=O)[C@@H](N)CCOC ZINC000052790756 524069372 /nfs/dbraw/zinc/06/93/72/524069372.db2.gz HETYGSUJWOLYPP-ZDUSSCGKSA-N 0 3 264.369 2.114 10 0 CEAEHN COc1ccc(C[C@@H](CN)C(=O)NC(C)(C)C)cc1C ZINC000050596596 524138717 /nfs/dbraw/zinc/13/87/17/524138717.db2.gz NOAPRFYFYGRKDG-ZDUSSCGKSA-N 0 3 278.396 2.036 10 0 CEAEHN Cc1ccc(C)c(NC(=O)c2ccnc(NN)c2)c1 ZINC000051096135 524159197 /nfs/dbraw/zinc/15/91/97/524159197.db2.gz JLPITSACNXQYIO-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN Cc1ccc(C)c(NC(=O)c2cc[nH]c(=NN)c2)c1 ZINC000051096135 524159208 /nfs/dbraw/zinc/15/92/08/524159208.db2.gz JLPITSACNXQYIO-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN C[C@@H]1CCCN[C@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000051793033 524265847 /nfs/dbraw/zinc/26/58/47/524265847.db2.gz ZJHPJFCZWHQYKV-BXUZGUMPSA-N 0 3 261.369 2.079 10 0 CEAEHN Cc1cc(C)c(NS(=O)(=O)C[C@H]2CCCCN2)c(C)c1 ZINC000049630607 524307386 /nfs/dbraw/zinc/30/73/86/524307386.db2.gz RLGDONINZLNPSE-CQSZACIVSA-N 0 3 296.436 2.496 10 0 CEAEHN Cc1ccc(CN)cc1N1C(=O)C[C@](C)(C(C)C)C1=O ZINC000050430522 524424182 /nfs/dbraw/zinc/42/41/82/524424182.db2.gz UQJGLWQEAVJFJX-MRXNPFEDSA-N 0 3 274.364 2.379 10 0 CEAEHN Cc1ccc(C[NH3+])cc1NC(=O)c1cccc([O-])c1 ZINC000050430692 524425125 /nfs/dbraw/zinc/42/51/25/524425125.db2.gz QBXIZDQOXKQPFU-UHFFFAOYSA-N 0 3 256.305 2.412 10 0 CEAEHN Cc1cccc(N2CCN(Cc3ccc(CN)o3)CC2)c1 ZINC000052418936 524558678 /nfs/dbraw/zinc/55/86/78/524558678.db2.gz DRYAETLJHWRVHF-UHFFFAOYSA-N 0 3 285.391 2.369 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C[C@@H]1C ZINC000068584793 524696321 /nfs/dbraw/zinc/69/63/21/524696321.db2.gz LVFPHBVDRCMOTR-DSPQJCBJSA-N 0 3 290.407 2.203 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc(Cl)s1 ZINC000068913237 524696673 /nfs/dbraw/zinc/69/66/73/524696673.db2.gz YLIRTBIMRGWQSD-YUMQZZPRSA-N 0 3 258.774 2.224 10 0 CEAEHN C[C@H]1COCCN1Cc1ccc(CNC(C)(C)C)o1 ZINC000052475833 524722120 /nfs/dbraw/zinc/72/21/20/524722120.db2.gz USBYRBQOJJZASN-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN C[C@H](Cc1ccco1)N[C@H]1CCCc2c1cnn2CCO ZINC000062771686 524746687 /nfs/dbraw/zinc/74/66/87/524746687.db2.gz ACBUKPVHVPNUHA-DOMZBBRYSA-N 0 3 289.379 2.067 10 0 CEAEHN C[C@@H](CNc1ncnc2c1CCC2)N1CCCCC1 ZINC000061276935 524761408 /nfs/dbraw/zinc/76/14/08/524761408.db2.gz SBZWMBPRPJHAPP-LBPRGKRZSA-N 0 3 260.385 2.252 10 0 CEAEHN Cc1cccc([C@@H](C)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069140678 524832142 /nfs/dbraw/zinc/83/21/42/524832142.db2.gz QOWHXRCMOXUBCR-TZMCWYRMSA-N 0 3 267.394 2.223 10 0 CEAEHN C[C@H](N)[C@H](c1ccccn1)N1Cc2ccccc2C1 ZINC000050910294 524854942 /nfs/dbraw/zinc/85/49/42/524854942.db2.gz HMVOAVQGGVPJQI-BLLLJJGKSA-N 0 3 253.349 2.486 10 0 CEAEHN C[C@H](N)c1ccc(F)cc1OC[C@@H](O)C(F)(F)F ZINC000068877961 524864136 /nfs/dbraw/zinc/86/41/36/524864136.db2.gz VYDUFZKEEOZDLZ-QUBYGPBYSA-N 0 3 267.222 2.147 10 0 CEAEHN C[C@@H](N)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1 ZINC000157330602 524990747 /nfs/dbraw/zinc/99/07/47/524990747.db2.gz WGTWMNOIPVJBSJ-MBHSVXNSSA-N 0 3 291.395 2.003 10 0 CEAEHN C[C@@H](N)[C@H](c1ccccn1)N1Cc2ccccc2C1 ZINC000050910295 525019197 /nfs/dbraw/zinc/01/91/97/525019197.db2.gz HMVOAVQGGVPJQI-MLGOLLRUSA-N 0 3 253.349 2.486 10 0 CEAEHN C[C@@H]1CN(c2ccc(Cl)cc2CN)CCCO1 ZINC000061912697 525065700 /nfs/dbraw/zinc/06/57/00/525065700.db2.gz OTBIGQYTLBDIIN-SNVBAGLBSA-N 0 3 254.761 2.414 10 0 CEAEHN C[C@@H]1COCCN1Cc1c(CN)oc2ccccc21 ZINC000052475843 525127802 /nfs/dbraw/zinc/12/78/02/525127802.db2.gz KNQSUFCYVVVIEA-LLVKDONJSA-N 0 3 260.337 2.112 10 0 CEAEHN COc1ccc([C@@H](N)C[C@H]2CCCO2)c(OC)c1 ZINC000055232824 525189429 /nfs/dbraw/zinc/18/94/29/525189429.db2.gz BYOBOQMKNBESOR-YPMHNXCESA-N 0 3 251.326 2.273 10 0 CEAEHN Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000049630922 525293045 /nfs/dbraw/zinc/29/30/45/525293045.db2.gz DKXXZYUTDMPMCY-NSHDSACASA-N 0 3 286.372 2.018 10 0 CEAEHN COc1ccc([C@H](O)[C@@H](N)c2ccccc2)cc1OC ZINC000054682349 525379138 /nfs/dbraw/zinc/37/91/38/525379138.db2.gz WTJNLWXCIYIEEW-HOTGVXAUSA-N 0 3 273.332 2.437 10 0 CEAEHN Cc1cc([C@H](CN)N(C)C[C@@H]2CCCO2)ccc1F ZINC000050546297 525535546 /nfs/dbraw/zinc/53/55/46/525535546.db2.gz BXBDOGMSOHOSTA-ZFWWWQNUSA-N 0 3 266.360 2.245 10 0 CEAEHN Cc1ccc([C@@H](CN)Sc2ncnc3[nH]cnc32)o1 ZINC000051036332 525755755 /nfs/dbraw/zinc/75/57/55/525755755.db2.gz IIXRETSRKYLJTG-SECBINFHSA-N 0 3 275.337 2.046 10 0 CEAEHN Cc1c(N)cc(C(=O)N[C@H](CC(C)C)CN(C)C)cc1F ZINC000049551063 525818336 /nfs/dbraw/zinc/81/83/36/525818336.db2.gz HKXZFNAGCUJFPW-CYBMUJFWSA-N 0 3 295.402 2.422 10 0 CEAEHN C[C@@H](O)c1ccccc1NC(=O)CNC1CCCC1 ZINC000049547363 525871643 /nfs/dbraw/zinc/87/16/43/525871643.db2.gz NDAWAIARIVLGOW-LLVKDONJSA-N 0 3 262.353 2.211 10 0 CEAEHN Cc1ccc(=O)n(C[C@@H](N)c2cccc3ccccc32)n1 ZINC000061810453 525976324 /nfs/dbraw/zinc/97/63/24/525976324.db2.gz TXHWXRHOWDMHGM-MRXNPFEDSA-N 0 3 279.343 2.405 10 0 CEAEHN COc1cccc(CNC(C)(C)C)c1OC[C@H](C)O ZINC000062732217 526008451 /nfs/dbraw/zinc/00/84/51/526008451.db2.gz CAZSTHJKTJQZMC-NSHDSACASA-N 0 3 267.369 2.343 10 0 CEAEHN Cc1nn(CCOC(C)C)c(C)c1CNC1CC1 ZINC000049260939 526281979 /nfs/dbraw/zinc/28/19/79/526281979.db2.gz MHMKDKQBUAJSIU-UHFFFAOYSA-N 0 3 251.374 2.177 10 0 CEAEHN Cc1nn([C@@H](CN)c2ccccn2)c(C)c1Br ZINC000050588803 526302892 /nfs/dbraw/zinc/30/28/92/526302892.db2.gz DKLNPEFOLFDEMY-NSHDSACASA-N 0 3 295.184 2.206 10 0 CEAEHN O=C(CN1CCC[C@H]1CCCO)N1CCCCCCC1 ZINC000052761950 526757913 /nfs/dbraw/zinc/75/79/13/526757913.db2.gz JGPYUGDYUPFWPK-HNNXBMFYSA-N 0 3 282.428 2.016 10 0 CEAEHN Cc1nc(C)n(Cc2occc2CNC(C)(C)C)n1 ZINC000052574357 526765914 /nfs/dbraw/zinc/76/59/14/526765914.db2.gz KFYDRVBFOWHEJM-UHFFFAOYSA-N 0 3 262.357 2.424 10 0 CEAEHN Cc1oc(CN)cc1CN(C)C[C@H]1CCCCO1 ZINC000052507449 526769555 /nfs/dbraw/zinc/76/95/55/526769555.db2.gz GYWKYNLULLUOIU-CYBMUJFWSA-N 0 3 252.358 2.048 10 0 CEAEHN Cc1oc(CNC2CC2)cc1CN1CCOCC1(C)C ZINC000052546207 526775414 /nfs/dbraw/zinc/77/54/14/526775414.db2.gz IHYFQGQAJQPPQW-UHFFFAOYSA-N 0 3 278.396 2.451 10 0 CEAEHN N=C(N)c1cc(COc2cccc(F)c2F)ccn1 ZINC000068762739 526819673 /nfs/dbraw/zinc/81/96/73/526819673.db2.gz CPMXWBUNFBRRDQ-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN Cc1nc(CN[C@@H](CC(C)C)CN(C)C)oc1C ZINC000049555505 526891178 /nfs/dbraw/zinc/89/11/78/526891178.db2.gz MZIDNDLQGQPNAD-ZDUSSCGKSA-N 0 3 253.390 2.357 10 0 CEAEHN Cc1nc(Cl)cc(N[C@@H](CN(C)C)C(C)C)n1 ZINC000052836742 526935129 /nfs/dbraw/zinc/93/51/29/526935129.db2.gz QFCLLRLMZDDKHK-JTQLQIEISA-N 0 3 256.781 2.437 10 0 CEAEHN NC(=O)[C@@H](N)CCSc1ccc2ccccc2c1 ZINC000062600525 526954796 /nfs/dbraw/zinc/95/47/96/526954796.db2.gz GHAPXUQDNPVAMX-ZDUSSCGKSA-N 0 3 260.362 2.135 10 0 CEAEHN O=C(Nc1ccc(Cl)nc1)N1CCN2CCC[C@H]2C1 ZINC000049444076 527189505 /nfs/dbraw/zinc/18/95/05/527189505.db2.gz MZYQDSKEUSXASJ-NSHDSACASA-N 0 3 280.759 2.047 10 0 CEAEHN NCc1c(-n2ncc3ccccc32)nc2ccccn21 ZINC000050526871 527244026 /nfs/dbraw/zinc/24/40/26/527244026.db2.gz MWOZVYQYVXFCLS-UHFFFAOYSA-N 0 3 263.304 2.132 10 0 CEAEHN NCc1cnn(Cc2ccc(F)c(Br)c2)c1 ZINC000054716764 527264371 /nfs/dbraw/zinc/26/43/71/527264371.db2.gz QQNQKLSTJGDPNB-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN NNc1ccc(Cl)c(CN2CCCCCC2)n1 ZINC000061638936 527280006 /nfs/dbraw/zinc/28/00/06/527280006.db2.gz IZUGGFYHXCJTJJ-UHFFFAOYSA-N 0 3 254.765 2.397 10 0 CEAEHN N[C@H](c1cc(Cl)ccc1Cl)[C@H]1COCCO1 ZINC000055299139 527391120 /nfs/dbraw/zinc/39/11/20/527391120.db2.gz RCNUUOVCVIFMTP-GHMZBOCLSA-N 0 3 262.136 2.409 10 0 CEAEHN O[C@@H](CNCc1cc2c(s1)CCC2)C(F)(F)F ZINC000068879443 527653500 /nfs/dbraw/zinc/65/35/00/527653500.db2.gz SOOGJLYXWNBWLO-JTQLQIEISA-N 0 3 265.300 2.250 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C(C)C)C2CC2)C1 ZINC000175953735 529054511 /nfs/dbraw/zinc/05/45/11/529054511.db2.gz CVUZMSFUQBGBBQ-GFCCVEGCSA-N 0 3 253.390 2.053 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)c1nc(C2CC2)no1 ZINC000177700241 529099408 /nfs/dbraw/zinc/09/94/08/529099408.db2.gz PRQZYYBCNOEWDL-AAEUAGOBSA-N 0 3 278.400 2.424 10 0 CEAEHN CC(C)CNCc1cncc(N2CCC[C@H](C)C2)n1 ZINC000091418391 535169525 /nfs/dbraw/zinc/16/95/25/535169525.db2.gz IIWGGGQXIRBQLZ-ZDUSSCGKSA-N 0 3 262.401 2.459 10 0 CEAEHN CCNCc1ccc(N2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000088437294 535478639 /nfs/dbraw/zinc/47/86/39/535478639.db2.gz LTGAGZQDZJQWCD-SNVBAGLBSA-N 0 3 288.317 2.365 10 0 CEAEHN COC1CCN(c2ccc(F)cc2[C@H](C)N)CC1 ZINC000037266453 536758325 /nfs/dbraw/zinc/75/83/25/536758325.db2.gz WRFQEXIAHMCGAQ-JTQLQIEISA-N 0 3 252.333 2.461 10 0 CEAEHN COc1cccc(N2CCN([C@@H]3CCC[C@@H](O)C3)CC2)c1 ZINC000093731527 537124840 /nfs/dbraw/zinc/12/48/40/537124840.db2.gz XQBZWRHWFPYHFA-GDBMZVCRSA-N 0 3 290.407 2.121 10 0 CEAEHN Cc1ccnc(CN2C[C@@H]3CCCCN3C[C@H]2C)c1 ZINC000328170351 538839084 /nfs/dbraw/zinc/83/90/84/538839084.db2.gz KLSZEMQTQJUMOR-ZBFHGGJFSA-N 0 3 259.397 2.449 10 0 CEAEHN CC1(C)CN[C@@]2(CCCSC2)O[C@@]12CCOC2 ZINC000757144966 574510287 /nfs/dbraw/zinc/51/02/87/574510287.db2.gz NZRDIZLSLLWUAT-OLZOCXBDSA-N 0 3 257.399 2.015 10 0 CEAEHN CC1(C)CN[C@]2(CCCSC2)O[C@@]12CCOC2 ZINC000757144962 574510323 /nfs/dbraw/zinc/51/03/23/574510323.db2.gz NZRDIZLSLLWUAT-CHWSQXEVSA-N 0 3 257.399 2.015 10 0 CEAEHN OCCN1CCC[C@H](NCc2cc(F)cc(Cl)c2)C1 ZINC000384750888 574842253 /nfs/dbraw/zinc/84/22/53/574842253.db2.gz SCRHNVSFEKKKOR-AWEZNQCLSA-N 0 3 286.778 2.025 10 0 CEAEHN O=C(c1ccc(F)cc1)[C@H](O)CNCc1ccccc1 ZINC000669383351 570352870 /nfs/dbraw/zinc/35/28/70/570352870.db2.gz TYLCXHMKHOHZFI-OAHLLOKOSA-N 0 3 273.307 2.159 10 0 CEAEHN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000176198720 624184294 /nfs/dbraw/zinc/18/42/94/624184294.db2.gz BGSDKYIBJBCQBU-TUVASFSCSA-N 0 3 288.391 2.017 10 0 CEAEHN Cc1oc2c(c1C(N)=O)CN(CCc1ccccc1)CC2 ZINC000169757519 639634820 /nfs/dbraw/zinc/63/48/20/639634820.db2.gz VALYRICHTFYMNS-UHFFFAOYSA-N 0 3 284.359 2.288 10 0 CEAEHN CCOCCN1CCN(CCc2cccs2)C[C@@H]1C ZINC000105835591 640937362 /nfs/dbraw/zinc/93/73/62/640937362.db2.gz HTHMANFFIRDZPC-AWEZNQCLSA-N 0 3 282.453 2.333 10 0 CEAEHN CCc1ncsc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000124341806 187132985 /nfs/dbraw/zinc/13/29/85/187132985.db2.gz ANZWTFFVAMWBEN-CMPLNLGQSA-N 0 3 281.425 2.164 10 0 CEAEHN Cc1nc2ccccc2nc1N1C[C@@H](C)NC[C@H]1C ZINC000251288087 282088835 /nfs/dbraw/zinc/08/88/35/282088835.db2.gz YKEPOXYLMRNLLR-GHMZBOCLSA-N 0 3 256.353 2.125 10 0 CEAEHN NCc1cn(-c2cccc(Br)c2)cn1 ZINC000082555817 178092304 /nfs/dbraw/zinc/09/23/04/178092304.db2.gz CASINUBSAQUQAU-UHFFFAOYSA-N 0 3 252.115 2.094 10 0 CEAEHN [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1cc([O-])cc(F)c1 ZINC000095787203 185027889 /nfs/dbraw/zinc/02/78/89/185027889.db2.gz TXIKOZLIPPFWSH-CABCVRRESA-N 0 3 261.296 2.135 10 0 CEAEHN NCc1cc(F)c(Sc2nncs2)c(F)c1 ZINC000082616016 178126651 /nfs/dbraw/zinc/12/66/51/178126651.db2.gz VTDHXHAUDILXFJ-UHFFFAOYSA-N 0 3 259.306 2.426 10 0 CEAEHN CN1CCCC[C@H]1CNc1ncc(Br)cn1 ZINC000082662047 178150102 /nfs/dbraw/zinc/15/01/02/178150102.db2.gz WRKVHLORMXXQMC-JTQLQIEISA-N 0 3 285.189 2.135 10 0 CEAEHN Cc1nc2cc(Br)ccn2c1[C@@H](C)N ZINC000082694918 178190760 /nfs/dbraw/zinc/19/07/60/178190760.db2.gz XRAJDPQXRPVONF-ZCFIWIBFSA-N 0 3 254.131 2.425 10 0 CEAEHN CC(C)[C@@H](N)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939126 361798242 /nfs/dbraw/zinc/79/82/42/361798242.db2.gz ZKPKPDLVBOURLE-CYBMUJFWSA-N 0 3 261.325 2.380 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CCO1 ZINC000152085634 282122950 /nfs/dbraw/zinc/12/29/50/282122950.db2.gz OVPRNPFAXFJRFX-OAHLLOKOSA-N 0 3 296.455 2.382 10 0 CEAEHN COc1cccc(CN[C@H]2CCC[C@H](O)C2)c1OC ZINC000037165277 361902697 /nfs/dbraw/zinc/90/26/97/361902697.db2.gz RBLVBTPEBPJFOW-STQMWFEESA-N 0 3 265.353 2.097 10 0 CEAEHN CC(C)(C)OC(=O)N1Cc2cscc2[C@H](N)C1 ZINC000096958631 185142890 /nfs/dbraw/zinc/14/28/90/185142890.db2.gz RAXAKPKQGDSFOB-SNVBAGLBSA-N 0 3 254.355 2.499 10 0 CEAEHN C[C@H](NC[C@H](O)c1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000037889943 361959148 /nfs/dbraw/zinc/95/91/48/361959148.db2.gz SULPWUCLMQMXSY-HERUPUMHSA-N 0 3 271.307 2.155 10 0 CEAEHN O=c1c(CNC[C@@H]2CCCO2)cc2cccc3c2n1CCC3 ZINC000039287256 361987354 /nfs/dbraw/zinc/98/73/54/361987354.db2.gz YJNDESHQFLBZSC-INIZCTEOSA-N 0 3 298.386 2.216 10 0 CEAEHN CCC(CC)CN1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000263501670 282162415 /nfs/dbraw/zinc/16/24/15/282162415.db2.gz KYRDIINGFJZQDW-UHFFFAOYSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC(CC)CN1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000263501670 282162416 /nfs/dbraw/zinc/16/24/16/282162416.db2.gz KYRDIINGFJZQDW-UHFFFAOYSA-N 0 3 270.417 2.294 10 0 CEAEHN CC[C@H](N)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000037006734 529442197 /nfs/dbraw/zinc/44/21/97/529442197.db2.gz LYEMPQPBCKQEEW-KWQFWETISA-N 0 3 285.185 2.364 10 0 CEAEHN c1cn(C[C@@H]2CCCN2Cc2cnn3ccccc23)cn1 ZINC000188403646 539178828 /nfs/dbraw/zinc/17/88/28/539178828.db2.gz JDNJJIQDPDZXNM-HNNXBMFYSA-N 0 3 281.363 2.195 10 0 CEAEHN Cc1cc(C(=O)OC(C)(C)C)cc2c1OCCNC2 ZINC000725259552 539206031 /nfs/dbraw/zinc/20/60/31/539206031.db2.gz GLGLWBSSSSQPBU-UHFFFAOYSA-N 0 3 263.337 2.432 10 0 CEAEHN CC(C)(C)OC(=O)N1CCOc2cccc(CN)c2C1 ZINC000725260872 539208271 /nfs/dbraw/zinc/20/82/71/539208271.db2.gz YSASPZOKLBLVSS-UHFFFAOYSA-N 0 3 278.352 2.275 10 0 CEAEHN C[C@@H](c1cnn(CC2CCC2)c1)N1CCC[C@H](CO)C1 ZINC000725264285 539212755 /nfs/dbraw/zinc/21/27/55/539212755.db2.gz GZHCVUONMPDRKC-ZFWWWQNUSA-N 0 3 277.412 2.449 10 0 CEAEHN Cn1cc(CN[C@@H]2CCC[C@@H](O)C2)c(C(C)(C)C)n1 ZINC000126530955 539231706 /nfs/dbraw/zinc/23/17/06/539231706.db2.gz QXNATAFKSNWQSI-CHWSQXEVSA-N 0 3 265.401 2.111 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000170874777 282199124 /nfs/dbraw/zinc/19/91/24/282199124.db2.gz QSLFKOHYLGVUBD-SNVBAGLBSA-N 0 3 294.424 2.190 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCCCC2)C1 ZINC000131706357 539263339 /nfs/dbraw/zinc/26/33/39/539263339.db2.gz MFSJIWFLXPYOSE-KGLIPLIRSA-N 0 3 267.417 2.301 10 0 CEAEHN CN(C)C[C@H](NCC1=CCCOC1)c1ccccc1 ZINC000126298996 187231048 /nfs/dbraw/zinc/23/10/48/187231048.db2.gz QQDFQGCBOHMTTG-INIZCTEOSA-N 0 3 260.381 2.226 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1CCO[C@H]1CCCCO1 ZINC000248755796 282217067 /nfs/dbraw/zinc/21/70/67/282217067.db2.gz HZAQUTQAPXFUQX-CVEARBPZSA-N 0 3 293.411 2.199 10 0 CEAEHN Cc1nc(C)c(CN2C[C@H]3CCCCN3C[C@H]2C)o1 ZINC000311863334 539286769 /nfs/dbraw/zinc/28/67/69/539286769.db2.gz SHIORJJYCXYFSW-BXUZGUMPSA-N 0 3 263.385 2.350 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000127870188 187337905 /nfs/dbraw/zinc/33/79/05/187337905.db2.gz YYAOJKVQGSGZTD-SNVBAGLBSA-N 0 3 282.771 2.025 10 0 CEAEHN CC[C@H](NC[C@H]1CCCC[C@H]1O)c1nccn1C ZINC000245976540 539313535 /nfs/dbraw/zinc/31/35/35/539313535.db2.gz AFVINJHRZMLYFO-FRRDWIJNSA-N 0 3 251.374 2.012 10 0 CEAEHN C[C@H](NC(=O)CNC1CC1)c1ccccc1Br ZINC000037390219 343427392 /nfs/dbraw/zinc/42/73/92/343427392.db2.gz OVXLOEOONAHSNG-VIFPVBQESA-N 0 3 297.196 2.378 10 0 CEAEHN COC(=O)c1cc(CNCC[C@@H]2CCCO2)oc1C ZINC000037988854 343432548 /nfs/dbraw/zinc/43/25/48/343432548.db2.gz FSKBRDAMZKXPJN-NSHDSACASA-N 0 3 267.325 2.033 10 0 CEAEHN CSCC[C@H](N)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000040462429 343437760 /nfs/dbraw/zinc/43/77/60/343437760.db2.gz OSBBTSOVHDAHGB-PELKAZGASA-N 0 3 288.363 2.222 10 0 CEAEHN CN(C)CCNC(=O)c1cc2cn(C3CC3)cc2s1 ZINC000065285637 343697023 /nfs/dbraw/zinc/69/70/23/343697023.db2.gz MHCJBJOKQHHCFG-UHFFFAOYSA-N 0 3 277.393 2.329 10 0 CEAEHN CCCN1CCCN(c2ccc(SC)nn2)CC1 ZINC000078251360 343943907 /nfs/dbraw/zinc/94/39/07/343943907.db2.gz BETBANMGCQRMGU-UHFFFAOYSA-N 0 3 266.414 2.121 10 0 CEAEHN COC(=O)NCCc1ccc(Cl)c(CNC2CC2)c1 ZINC000117001329 344287894 /nfs/dbraw/zinc/28/78/94/344287894.db2.gz UADKACHDTSDEBD-UHFFFAOYSA-N 0 3 282.771 2.491 10 0 CEAEHN CO[C@@](C)(CN)c1ccc(Br)cc1F ZINC000132315823 344363326 /nfs/dbraw/zinc/36/33/26/344363326.db2.gz KDCBHAJLEDWUFF-JTQLQIEISA-N 0 3 262.122 2.409 10 0 CEAEHN CO[C@](C)(CN)c1ccc(Br)cc1F ZINC000132315699 344363394 /nfs/dbraw/zinc/36/33/94/344363394.db2.gz KDCBHAJLEDWUFF-SNVBAGLBSA-N 0 3 262.122 2.409 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(Cl)cn1 ZINC000134685556 344376386 /nfs/dbraw/zinc/37/63/86/344376386.db2.gz CRXARSXYZXTYMO-GFCCVEGCSA-N 0 3 283.803 2.441 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CNC(=O)[C@]1(C)CCCCN1 ZINC000136181013 344384062 /nfs/dbraw/zinc/38/40/62/344384062.db2.gz JORZQWCGKWWBOZ-IPYPFGDCSA-N 0 3 252.402 2.461 10 0 CEAEHN COc1ccc2c(c1)[C@@](C)(CCN(C)C)C(=O)CC2 ZINC000145894764 344409638 /nfs/dbraw/zinc/40/96/38/344409638.db2.gz QYIOZKMPHUOYER-MRXNPFEDSA-N 0 3 261.365 2.420 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2cc3ccccc3o2)C1 ZINC000170831501 344491191 /nfs/dbraw/zinc/49/11/91/344491191.db2.gz TURHQITVRWRONJ-ZDUSSCGKSA-N 0 3 287.363 2.278 10 0 CEAEHN CSc1ccc(C)c(C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170868074 344491699 /nfs/dbraw/zinc/49/16/99/344491699.db2.gz ISRADXURIXEPGW-GFCCVEGCSA-N 0 3 278.421 2.493 10 0 CEAEHN OCCC[C@@H]1CCCN1C[C@@H]1COc2ccccc2O1 ZINC000216366309 344534852 /nfs/dbraw/zinc/53/48/52/344534852.db2.gz RQPSJRBLJIJTLV-UONOGXRCSA-N 0 3 277.364 2.063 10 0 CEAEHN CN1CCC[C@@H]1CNc1nc(Br)cs1 ZINC000226095886 344548628 /nfs/dbraw/zinc/54/86/28/344548628.db2.gz UOTRPEWFMXZTEZ-SSDOTTSWSA-N 0 3 276.203 2.412 10 0 CEAEHN C[C@H](c1cc(Br)cs1)N1CC(N)C1 ZINC000229862238 344568826 /nfs/dbraw/zinc/56/88/26/344568826.db2.gz ALRUHBQAAJOBHF-ZCFIWIBFSA-N 0 3 261.188 2.215 10 0 CEAEHN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CC(C)C ZINC000233977817 344582891 /nfs/dbraw/zinc/58/28/91/344582891.db2.gz GTLPKTUGYFKHRR-GRYCIOLGSA-N 0 3 258.431 2.150 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H]1CCCO ZINC000052762440 362474192 /nfs/dbraw/zinc/47/41/92/362474192.db2.gz WFQSEOWDCFKFLY-RBSFLKMASA-N 0 3 282.428 2.013 10 0 CEAEHN Nc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000306674062 344716253 /nfs/dbraw/zinc/71/62/53/344716253.db2.gz PHLSYXOKJPEHDO-HNNXBMFYSA-N 0 3 268.364 2.350 10 0 CEAEHN Fc1ccc(C2=NCCN2)c(Br)c1F ZINC000306697978 344716624 /nfs/dbraw/zinc/71/66/24/344716624.db2.gz CEDGWAVCHKXZJE-UHFFFAOYSA-N 0 3 261.069 2.077 10 0 CEAEHN C[C@@H]1[C@@H](Nc2nccnc2N)CCN1Cc1ccccc1 ZINC000306729224 344716988 /nfs/dbraw/zinc/71/69/88/344716988.db2.gz OHDMMADNXJBAQU-OCCSQVGLSA-N 0 3 283.379 2.134 10 0 CEAEHN CCOC(=O)CN(Cc1ccccc1)C[C@@H]1CCCN1C ZINC000387384072 344833014 /nfs/dbraw/zinc/83/30/14/344833014.db2.gz JMKIIRHIAXPQIP-INIZCTEOSA-N 0 3 290.407 2.146 10 0 CEAEHN COc1ccc([C@@H](N)C[S@](=O)CC(C)C)cc1 ZINC000084033446 178774200 /nfs/dbraw/zinc/77/42/00/178774200.db2.gz RFHDDDDODKPIRJ-GUYCJALGSA-N 0 3 255.383 2.100 10 0 CEAEHN O=C(Nc1ccccc1)c1ccc(OC2CNC2)cc1 ZINC000584591920 344960494 /nfs/dbraw/zinc/96/04/94/344960494.db2.gz BAUPQNUFJFCCDW-UHFFFAOYSA-N 0 3 268.316 2.290 10 0 CEAEHN CCOc1ccc([C@H](O)[C@@H](C)N2CCCN(C)CC2)cc1 ZINC000584617100 344965828 /nfs/dbraw/zinc/96/58/28/344965828.db2.gz IAUOVIZMDZJGOS-RHSMWYFYSA-N 0 3 292.423 2.145 10 0 CEAEHN CN1C[C@@H](O)C[C@H](C(O)(c2ccccc2)c2ccccc2)C1 ZINC000584631781 344970031 /nfs/dbraw/zinc/97/00/31/344970031.db2.gz VYIWRCQCGWIWKO-ROUUACIJSA-N 0 3 297.398 2.235 10 0 CEAEHN CN(CCOC(=O)c1cccnc1)Cc1ccccc1 ZINC000584634055 344970673 /nfs/dbraw/zinc/97/06/73/344970673.db2.gz PIOYYNUFWNVYBY-UHFFFAOYSA-N 0 3 270.332 2.370 10 0 CEAEHN CCNc1c(N)cnc2ccc(OC(F)F)cc21 ZINC000584882715 344996207 /nfs/dbraw/zinc/99/62/07/344996207.db2.gz NCLRTVIDJMPCSO-UHFFFAOYSA-N 0 3 253.252 2.272 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H](C)C[C@H]2COCCN2)o1 ZINC000229194687 539453394 /nfs/dbraw/zinc/45/33/94/539453394.db2.gz FSTFFAXBTCQPES-DRZSPHRISA-N 0 3 252.358 2.006 10 0 CEAEHN COc1ccc(F)cc1[C@@H](N)Cc1c(C)nn(C)c1C ZINC000097383926 185596360 /nfs/dbraw/zinc/59/63/60/185596360.db2.gz YTCIMIGAVGIRKL-AWEZNQCLSA-N 0 3 277.343 2.427 10 0 CEAEHN CCN[C@@H](c1cnnn1C)[C@@H]1Cc2ccccc2S1 ZINC000097423981 185600561 /nfs/dbraw/zinc/60/05/61/185600561.db2.gz IUQPSHAAJNHQLF-KBPBESRZSA-N 0 3 274.393 2.183 10 0 CEAEHN CC[C@](C)([C@@H](Cc1cc(C)ccc1OC)NN)N(C)C ZINC000097583182 185630983 /nfs/dbraw/zinc/63/09/83/185630983.db2.gz GSBDVJVGKKRMTI-HZPDHXFCSA-N 0 3 279.428 2.108 10 0 CEAEHN CCN(CC)[C@](C)(CC)[C@@H](NN)c1cncc(C)c1 ZINC000097583736 185631224 /nfs/dbraw/zinc/63/12/24/185631224.db2.gz KCPAXQDKUFFFNT-LSDHHAIUSA-N 0 3 264.417 2.405 10 0 CEAEHN O[C@]12CCCC[C@@H]1CN(Cc1cccc3nccn31)CC2 ZINC000180373695 232397961 /nfs/dbraw/zinc/39/79/61/232397961.db2.gz ZKYZMRYLRXYKMW-PBHICJAKSA-N 0 3 285.391 2.461 10 0 CEAEHN N[C@](CO)(COc1ccccc1F)c1ccccc1 ZINC000085284432 179002131 /nfs/dbraw/zinc/00/21/31/179002131.db2.gz QECJLHFVVWETAU-OAHLLOKOSA-N 0 3 261.296 2.051 10 0 CEAEHN CCN[C@](CO)(CO[C@@H](C)CC)c1ccccc1 ZINC000085286982 179004868 /nfs/dbraw/zinc/00/48/68/179004868.db2.gz CZVXMMQZPREVIB-DZGCQCFKSA-N 0 3 251.370 2.299 10 0 CEAEHN C[C@H](NCCc1nnc[nH]1)c1cnc2ccsc2c1 ZINC000085434183 179061501 /nfs/dbraw/zinc/06/15/01/179061501.db2.gz WWBUFFNVQUEHNW-VIFPVBQESA-N 0 3 273.365 2.308 10 0 CEAEHN COCCOCCN1C[C@H](c2ccccc2)NCC1(C)C ZINC000085507617 179085854 /nfs/dbraw/zinc/08/58/54/179085854.db2.gz RTEWLGKOHXATSQ-MRXNPFEDSA-N 0 3 292.423 2.075 10 0 CEAEHN Cc1ccc(F)c(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)c1 ZINC000085560169 179093537 /nfs/dbraw/zinc/09/35/37/179093537.db2.gz PPPPDJDDOIOKPW-ZBEGNZNMSA-N 0 3 294.370 2.288 10 0 CEAEHN Cc1ccc(F)c(OCc2ccnc(C(=N)N)c2)c1 ZINC000085556349 179093816 /nfs/dbraw/zinc/09/38/16/179093816.db2.gz FISKHNYNLWGZEW-UHFFFAOYSA-N 0 3 259.284 2.392 10 0 CEAEHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2ccccn21 ZINC000085632535 179108635 /nfs/dbraw/zinc/10/86/35/179108635.db2.gz JCOJKUOQHWRQAU-VTPLQMEGSA-N 0 3 286.379 2.193 10 0 CEAEHN Cc1cc([C@H]2NC(=O)CC[C@H]2N)ccc1Br ZINC000085708896 179122852 /nfs/dbraw/zinc/12/28/52/179122852.db2.gz ICTYAQOOMIQBGV-ZYHUDNBSSA-N 0 3 283.169 2.036 10 0 CEAEHN NCc1ccccc1NC(=O)Cc1ccc(O)cc1 ZINC000085810178 179177537 /nfs/dbraw/zinc/17/75/37/179177537.db2.gz QMAAEZNUVXQRGI-UHFFFAOYSA-N 0 3 256.305 2.032 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccc(F)c(Cl)c2)nn1 ZINC000231073925 539556867 /nfs/dbraw/zinc/55/68/67/539556867.db2.gz UTFLWNNGONUYIT-UHFFFAOYSA-N 0 3 268.723 2.313 10 0 CEAEHN O[C@H]1CCCC[C@H]1CNCc1cnc2ccccc2n1 ZINC000085963342 179204959 /nfs/dbraw/zinc/20/49/59/179204959.db2.gz APVNJXOBLGOPPF-LRDDRELGSA-N 0 3 271.364 2.271 10 0 CEAEHN CC(C)n1ccc(CNC[C@@H]2CCCC[C@@H]2O)n1 ZINC000085985677 179211449 /nfs/dbraw/zinc/21/14/49/179211449.db2.gz FAVNQFLIWXLVLU-JSGCOSHPSA-N 0 3 251.374 2.105 10 0 CEAEHN CC(C)n1ccc(CNC[C@@H]2CCCC[C@H]2O)n1 ZINC000085985680 179211806 /nfs/dbraw/zinc/21/18/06/179211806.db2.gz FAVNQFLIWXLVLU-GXTWGEPZSA-N 0 3 251.374 2.105 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C ZINC000086074705 179225350 /nfs/dbraw/zinc/22/53/50/179225350.db2.gz QCYFXWLBCJDTRE-SCDSUCTJSA-N 0 3 296.436 2.167 10 0 CEAEHN CCCc1ccc([C@@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086019987 179217990 /nfs/dbraw/zinc/21/79/90/179217990.db2.gz QNBXTUVWPJBJGE-ZIAGYGMSSA-N 0 3 267.394 2.074 10 0 CEAEHN CCc1oc2ccccc2c1[C@H](N)[C@@H]1CCS(=O)(=O)C1 ZINC000086022719 179218473 /nfs/dbraw/zinc/21/84/73/179218473.db2.gz FAYRVEHJMPPYHW-MEBBXXQBSA-N 0 3 293.388 2.430 10 0 CEAEHN CCOCCCN1CCN[C@](C)(c2ccccc2)C1 ZINC000086125627 179235448 /nfs/dbraw/zinc/23/54/48/179235448.db2.gz JVJDMCBINCWILU-INIZCTEOSA-N 0 3 262.397 2.234 10 0 CEAEHN COc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000128508145 187375317 /nfs/dbraw/zinc/37/53/17/187375317.db2.gz ZTYJLZYTJSTNJG-AWEZNQCLSA-N 0 3 271.364 2.418 10 0 CEAEHN CO[C@@H]1CCC[C@H]1N1CCN[C@H](c2ccccc2)C1 ZINC000086146851 179239731 /nfs/dbraw/zinc/23/97/31/179239731.db2.gz KYVYUFLFMLPJPB-ARFHVFGLSA-N 0 3 260.381 2.200 10 0 CEAEHN C[C@@H]1CN(c2nc(Br)cs2)[C@@H](C)CN1 ZINC000086290971 179265444 /nfs/dbraw/zinc/26/54/44/179265444.db2.gz ZKLFFAIXXXYOFR-RQJHMYQMSA-N 0 3 276.203 2.092 10 0 CEAEHN CN(CC(C)(C)O)[C@@H](CN)c1ccc(Cl)s1 ZINC000086273461 179262954 /nfs/dbraw/zinc/26/29/54/179262954.db2.gz JXXLJROEZSAIDM-QMMMGPOBSA-N 0 3 262.806 2.104 10 0 CEAEHN CN(C[C@@H](O)CN1CCCC[C@H]1c1nccs1)C1CC1 ZINC000336836042 365905256 /nfs/dbraw/zinc/90/52/56/365905256.db2.gz KHNNBIKUMXLIQB-KGLIPLIRSA-N 0 3 295.452 2.125 10 0 CEAEHN CNCc1cccc(NC(=O)c2ccncc2F)c1 ZINC000086316723 179269899 /nfs/dbraw/zinc/26/98/99/179269899.db2.gz YVTKORBWKLOUKC-UHFFFAOYSA-N 0 3 259.284 2.192 10 0 CEAEHN COc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000128611006 187379827 /nfs/dbraw/zinc/37/98/27/187379827.db2.gz TYZAWJDRMWHRQZ-HNNXBMFYSA-N 0 3 286.379 2.199 10 0 CEAEHN CN(CCc1cccs1)c1nc(CN)cs1 ZINC000086442032 179293369 /nfs/dbraw/zinc/29/33/69/179293369.db2.gz PUJXFDGSNVTFTR-UHFFFAOYSA-N 0 3 253.396 2.342 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2occc2C)[C@@H](CC)CN1 ZINC000086446777 179295992 /nfs/dbraw/zinc/29/59/92/179295992.db2.gz PBOPWVWTKNJDEX-NEPJUHHUSA-N 0 3 250.342 2.191 10 0 CEAEHN CCN[C@H]1CCCc2sc(N(C)CCOC)nc21 ZINC000086443834 179293650 /nfs/dbraw/zinc/29/36/50/179293650.db2.gz MLQGPBVBUWXURW-JTQLQIEISA-N 0 3 269.414 2.213 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2scnc2C)[C@@H](CC)CN1 ZINC000086448146 179295517 /nfs/dbraw/zinc/29/55/17/179295517.db2.gz ZGKQUMOEDDPVJN-MNOVXSKESA-N 0 3 267.398 2.054 10 0 CEAEHN Cc1nn(C)c(C)c1-c1nc2c(s1)CCC[C@@H]2N ZINC000086440350 179292854 /nfs/dbraw/zinc/29/28/54/179292854.db2.gz NHIIIHMQXVLCBV-VIFPVBQESA-N 0 3 262.382 2.497 10 0 CEAEHN C[NH2+][C@H](C)c1ccccc1[N-]S(=O)(=O)CC1CC1 ZINC000086497136 179303035 /nfs/dbraw/zinc/30/30/35/179303035.db2.gz XCOBSZSBOIYSMC-SNVBAGLBSA-N 0 3 268.382 2.119 10 0 CEAEHN CC(C)Oc1cccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000086467423 179297992 /nfs/dbraw/zinc/29/79/92/179297992.db2.gz TWZJVUPBZGDGBF-OLZOCXBDSA-N 0 3 276.380 2.296 10 0 CEAEHN COc1ccc2[nH]c(-c3c[nH]c(C4(N)CCC4)n3)nc2c1 ZINC000086576143 179308471 /nfs/dbraw/zinc/30/84/71/179308471.db2.gz LOTXEXLLEUZNDK-UHFFFAOYSA-N 0 3 283.335 2.300 10 0 CEAEHN COC[C@H](NCc1cn(C)nc1C(C)C)C(C)C ZINC000086696462 179320883 /nfs/dbraw/zinc/32/08/83/179320883.db2.gz WHSXPLKKQPWOHJ-ZDUSSCGKSA-N 0 3 253.390 2.304 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1ccc(Cl)cc1 ZINC000086672035 179317629 /nfs/dbraw/zinc/31/76/29/179317629.db2.gz BXOGUJYMFKBKHH-CHWSQXEVSA-N 0 3 287.812 2.395 10 0 CEAEHN CN(C)C[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000086776825 179329091 /nfs/dbraw/zinc/32/90/91/179329091.db2.gz OLWRWUSKRCCICE-VIFPVBQESA-N 0 3 259.806 2.323 10 0 CEAEHN CNCc1c[nH]c(-c2ncc(Cl)cc2Cl)n1 ZINC000086784442 179332165 /nfs/dbraw/zinc/33/21/65/179332165.db2.gz WNSRDHWFQYOIKS-UHFFFAOYSA-N 0 3 257.124 2.498 10 0 CEAEHN CNCc1cnc(-c2ncc(Cl)cc2Cl)[nH]1 ZINC000086784442 179332168 /nfs/dbraw/zinc/33/21/68/179332168.db2.gz WNSRDHWFQYOIKS-UHFFFAOYSA-N 0 3 257.124 2.498 10 0 CEAEHN CN1CCC[C@@](N)(c2nc3c(s2)CCCC3)CC1 ZINC000086833632 179349331 /nfs/dbraw/zinc/34/93/31/179349331.db2.gz SGKSHNLITINQCR-AWEZNQCLSA-N 0 3 265.426 2.292 10 0 CEAEHN CCC(N)(CC)c1nnc2ccc(Br)cn21 ZINC000086811506 179341542 /nfs/dbraw/zinc/34/15/42/179341542.db2.gz VDFWNDWGVWGNLA-UHFFFAOYSA-N 0 3 283.173 2.466 10 0 CEAEHN CCN1CCC[C@H](Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000086835434 179350040 /nfs/dbraw/zinc/35/00/40/179350040.db2.gz BGKOGRZEINDRGP-ZDUSSCGKSA-N 0 3 296.436 2.376 10 0 CEAEHN CCN1CCC[C@]([NH2+]Cc2cccs2)(C(=O)[O-])CC1 ZINC000086850305 179357712 /nfs/dbraw/zinc/35/77/12/179357712.db2.gz KQDDIXPQTSNUHE-CQSZACIVSA-N 0 3 282.409 2.167 10 0 CEAEHN CCN[C@]1(c2nccs2)CCCN(CC)CC1 ZINC000086851471 179359904 /nfs/dbraw/zinc/35/99/04/179359904.db2.gz WKUAASSJSXVSHB-CYBMUJFWSA-N 0 3 253.415 2.454 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+]2CC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086869112 179361481 /nfs/dbraw/zinc/36/14/81/179361481.db2.gz GILFVHGLPVIOJT-GDBMZVCRSA-N 0 3 282.428 2.438 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+]2CC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086869112 179361483 /nfs/dbraw/zinc/36/14/83/179361483.db2.gz GILFVHGLPVIOJT-GDBMZVCRSA-N 0 3 282.428 2.438 10 0 CEAEHN CCC[C@@H]([NH2+][C@H]1CCCN(CCC)CC1)C(=O)[O-] ZINC000086868675 179362618 /nfs/dbraw/zinc/36/26/18/179362618.db2.gz PXJJWANKMOMXFV-QWHCGFSZSA-N 0 3 256.390 2.094 10 0 CEAEHN CCn1nccc1[C@@H](NC)[C@H]1CSCCS1 ZINC000086984814 179373830 /nfs/dbraw/zinc/37/38/30/179373830.db2.gz USRAECFTUZKURR-GHMZBOCLSA-N 0 3 257.428 2.012 10 0 CEAEHN CCS(=O)(=O)CCCOc1ccc(C)cc1[C@@H](C)NC ZINC000086972890 179371281 /nfs/dbraw/zinc/37/12/81/179371281.db2.gz XLCSSJZLFJTWPR-CYBMUJFWSA-N 0 3 299.436 2.479 10 0 CEAEHN CC[C@@](C)(O)CN[C@@H]1CCOc2ccc(OC)cc21 ZINC000087012102 179378947 /nfs/dbraw/zinc/37/89/47/179378947.db2.gz KGOUWHBNFBXYMA-UKRRQHHQSA-N 0 3 265.353 2.269 10 0 CEAEHN Cc1cc([C@@H](N)[C@H]2COCCO2)sc1Br ZINC000087019100 179381041 /nfs/dbraw/zinc/38/10/41/179381041.db2.gz PNSDEEJAXHEIHJ-APPZFPTMSA-N 0 3 292.198 2.234 10 0 CEAEHN CC[C@](C)(O)CN[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087027808 179381651 /nfs/dbraw/zinc/38/16/51/179381651.db2.gz MLBCDVDRQNRMQA-DOMZBBRYSA-N 0 3 264.369 2.073 10 0 CEAEHN CC(C)NCc1c[nH]c([C@H]2CSCCS2)n1 ZINC000086985458 179374760 /nfs/dbraw/zinc/37/47/60/179374760.db2.gz SZGGLKMRQLKAIX-SNVBAGLBSA-N 0 3 257.428 2.429 10 0 CEAEHN CC(C)NCc1cnc([C@H]2CSCCS2)[nH]1 ZINC000086985458 179374763 /nfs/dbraw/zinc/37/47/63/179374763.db2.gz SZGGLKMRQLKAIX-SNVBAGLBSA-N 0 3 257.428 2.429 10 0 CEAEHN CCO[C@H]1CCCN([C@@H](CN)c2ccc(OC)c(F)c2)C1 ZINC000086991909 179375092 /nfs/dbraw/zinc/37/50/92/179375092.db2.gz SAGURROAAZEFGL-ZFWWWQNUSA-N 0 3 296.386 2.335 10 0 CEAEHN C[C@@H]1CCC[C@@](O)(CNC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000087052349 179388857 /nfs/dbraw/zinc/38/88/57/179388857.db2.gz XRSFLOSKWRPSPG-WBMJQRKESA-N 0 3 298.427 2.137 10 0 CEAEHN COC[C@H](C)N(C)Cc1csc(CNCC(C)C)n1 ZINC000052511280 522596718 /nfs/dbraw/zinc/59/67/18/522596718.db2.gz LFVFTDWWEMIHNU-LBPRGKRZSA-N 0 3 285.457 2.355 10 0 CEAEHN Cc1cccc(NC(=O)CNCC2(O)CCC(C)CC2)c1 ZINC000087063019 179389478 /nfs/dbraw/zinc/38/94/78/179389478.db2.gz CLVCBIABLAWSAP-UHFFFAOYSA-N 0 3 290.407 2.464 10 0 CEAEHN CCC1CCC(O)(CN[C@H](C)C(=O)NC2CCCC2)CC1 ZINC000087065770 179390003 /nfs/dbraw/zinc/39/00/03/179390003.db2.gz DHZAWRWPFDSXRE-TUBUQKNSSA-N 0 3 296.455 2.355 10 0 CEAEHN C[C@@H]1CCC[C@](O)(CNCC(=O)Nc2cccc(F)c2)C1 ZINC000087064339 179390217 /nfs/dbraw/zinc/39/02/17/179390217.db2.gz GOFUPOJWVJPOGE-MLGOLLRUSA-N 0 3 294.370 2.295 10 0 CEAEHN Cc1ccccc1NC(=O)CNC[C@]1(O)CCC[C@H](C)C1 ZINC000087065620 179390279 /nfs/dbraw/zinc/39/02/79/179390279.db2.gz SUSFALXEEAFXAH-GUYCJALGSA-N 0 3 290.407 2.464 10 0 CEAEHN C[C@@H]1CCC[C@](O)(CNCC(=O)Nc2ccccc2)C1 ZINC000087065148 179390319 /nfs/dbraw/zinc/39/03/19/179390319.db2.gz UQYWXIOIZWOXHR-CZUORRHYSA-N 0 3 276.380 2.156 10 0 CEAEHN c1ccc(CN2CCOC[C@@H](c3ncccn3)C2)cc1 ZINC000616660831 348551899 /nfs/dbraw/zinc/55/18/99/348551899.db2.gz PRQAKBOHQLRQGJ-HNNXBMFYSA-N 0 3 269.348 2.093 10 0 CEAEHN CC(C)(C)N1CCOCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616655611 348549822 /nfs/dbraw/zinc/54/98/22/348549822.db2.gz HXVUQRGGQGBTIC-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN CC(C)N1CCCOC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616599847 348530258 /nfs/dbraw/zinc/53/02/58/348530258.db2.gz QTGSOZFPUNRWGA-LBPRGKRZSA-N 0 3 272.389 2.010 10 0 CEAEHN OCCN1CCCC[C@H]1c1cnnc2ccccc21 ZINC000616616425 348534900 /nfs/dbraw/zinc/53/49/00/348534900.db2.gz OAPAFGKADHFWQA-HNNXBMFYSA-N 0 3 257.337 2.149 10 0 CEAEHN OCCN1CCC[C@@H](c2nccc3ccccc32)C1 ZINC000616619863 348536546 /nfs/dbraw/zinc/53/65/46/348536546.db2.gz BQGPSEOIOSPOMS-CQSZACIVSA-N 0 3 256.349 2.407 10 0 CEAEHN CCN1CCc2ccccc2[C@@H]1c1ccc(N)nc1 ZINC000616678926 348558082 /nfs/dbraw/zinc/55/80/82/348558082.db2.gz PLCXLUCRKUVUPF-INIZCTEOSA-N 0 3 253.349 2.462 10 0 CEAEHN CCCn1ncnc1C[C@](C)(N)c1ccccc1OC ZINC000088607080 179636452 /nfs/dbraw/zinc/63/64/52/179636452.db2.gz ZNXDKNAKTLFSTD-HNNXBMFYSA-N 0 3 274.368 2.113 10 0 CEAEHN CCN[C@H](Cc1c(Cl)c(CC)nn1C)c1ccncn1 ZINC000089328443 179770128 /nfs/dbraw/zinc/77/01/28/179770128.db2.gz MOTDZCXNIFWYEN-GFCCVEGCSA-N 0 3 293.802 2.319 10 0 CEAEHN CCn1nc(C)c(Cl)c1CN[C@@H](C)CCOC ZINC000089278141 179763706 /nfs/dbraw/zinc/76/37/06/179763706.db2.gz SLFFLXHLDJJSOU-VIFPVBQESA-N 0 3 259.781 2.379 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1cc(F)cc(C(F)(F)F)c1 ZINC000623765318 350106469 /nfs/dbraw/zinc/10/64/69/350106469.db2.gz QUABJHVQIQRDOR-NWDGAFQWSA-N 0 3 293.260 2.084 10 0 CEAEHN CC(C)(C)c1ccc(CN[C@@H]2CCOC[C@@H]2O)s1 ZINC000623766918 350107233 /nfs/dbraw/zinc/10/72/33/350107233.db2.gz NQXMYCFAKVNMPM-NEPJUHHUSA-N 0 3 269.410 2.285 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1c(Cl)oc2ccccc21 ZINC000623767350 350107283 /nfs/dbraw/zinc/10/72/83/350107283.db2.gz UMNQVZJAZJRZED-NWDGAFQWSA-N 0 3 281.739 2.326 10 0 CEAEHN C[C@@]1(c2nc3cc(F)ccc3s2)COC[C@@H]1N ZINC000090573012 180007397 /nfs/dbraw/zinc/00/73/97/180007397.db2.gz GPONTLLWLCZPRC-CMPLNLGQSA-N 0 3 252.314 2.051 10 0 CEAEHN CCn1c2c(cccc2Cl)nc1[C@@]1(C)COC[C@@H]1N ZINC000090571809 180007697 /nfs/dbraw/zinc/00/76/97/180007697.db2.gz ZACLHVZYAALOEP-FZMZJTMJSA-N 0 3 279.771 2.325 10 0 CEAEHN CC(C)n1c2cccc(F)c2nc1[C@@]1(C)COC[C@H]1N ZINC000090571795 180007921 /nfs/dbraw/zinc/00/79/21/180007921.db2.gz ZYXAKPIRSPSOFH-DOMZBBRYSA-N 0 3 277.343 2.372 10 0 CEAEHN CC(C)c1ccc(NC(=O)[C@]2(C)COC[C@H]2N)cc1 ZINC000090580639 180008233 /nfs/dbraw/zinc/00/82/33/180008233.db2.gz FCUMTLNRVWARAN-UKRRQHHQSA-N 0 3 262.353 2.112 10 0 CEAEHN C[C@@H](O[C@@H](C)C(=O)Nc1cccc(CN)c1)C(F)(F)F ZINC000090671958 180021022 /nfs/dbraw/zinc/02/10/22/180021022.db2.gz CNNUYODNEGPQOK-DTWKUNHWSA-N 0 3 290.285 2.440 10 0 CEAEHN CCCC(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090700516 180027838 /nfs/dbraw/zinc/02/78/38/180027838.db2.gz AIDQWRGPWVCNTF-ZDUSSCGKSA-N 0 3 270.442 2.216 10 0 CEAEHN CN[C@H](c1cnccc1C)[C@@H]1COc2ccccc2O1 ZINC000090710179 180027890 /nfs/dbraw/zinc/02/78/90/180027890.db2.gz WLJRONVJZXMGOW-JKSUJKDBSA-N 0 3 270.332 2.491 10 0 CEAEHN Cc1ccncc1[C@@H](N)c1ccc2nccnc2c1 ZINC000090709901 180027981 /nfs/dbraw/zinc/02/79/81/180027981.db2.gz CXZISTHZDRTZFT-HNNXBMFYSA-N 0 3 250.305 2.381 10 0 CEAEHN COCCNCc1cccc(S[C@H](C)C(=O)OC)c1 ZINC000090873130 180049895 /nfs/dbraw/zinc/04/98/95/180049895.db2.gz IRVDTFVIKSKKRV-LLVKDONJSA-N 0 3 283.393 2.076 10 0 CEAEHN CS(=O)(=O)CCCSc1cccc(CNC2CC2)c1 ZINC000090872264 180050144 /nfs/dbraw/zinc/05/01/44/180050144.db2.gz DTQKDONIKKTJNJ-UHFFFAOYSA-N 0 3 299.461 2.465 10 0 CEAEHN CCNCc1cnn(C[C@@H]2Cc3cc(F)ccc3O2)c1C ZINC000090895591 180056344 /nfs/dbraw/zinc/05/63/44/180056344.db2.gz RZOJYANDSJPNOI-HNNXBMFYSA-N 0 3 289.354 2.444 10 0 CEAEHN Cc1ccc2c(c1)C[C@H](CNCc1ccncc1)O2 ZINC000090897284 180057139 /nfs/dbraw/zinc/05/71/39/180057139.db2.gz SUHRPCDKAKFUPQ-OAHLLOKOSA-N 0 3 254.333 2.483 10 0 CEAEHN Cc1ccc2c(c1)C[C@@H](CN1CCC(C(N)=S)CC1)O2 ZINC000090898445 180057751 /nfs/dbraw/zinc/05/77/51/180057751.db2.gz DCNSMQYNPWMHJW-AWEZNQCLSA-N 0 3 290.432 2.297 10 0 CEAEHN CNCc1cnn(C[C@@H]2Cc3cc(C)ccc3O2)c1C ZINC000090901914 180058770 /nfs/dbraw/zinc/05/87/70/180058770.db2.gz IIVAUKGOLWLCEY-HNNXBMFYSA-N 0 3 271.364 2.223 10 0 CEAEHN Cc1ccc2c(c1)C[C@@H](CN1CCC(CO)CC1)O2 ZINC000090900918 180058925 /nfs/dbraw/zinc/05/89/25/180058925.db2.gz SQCGEOJBLXUOQG-HNNXBMFYSA-N 0 3 261.365 2.003 10 0 CEAEHN Cc1ccc(C)c([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905710 180059878 /nfs/dbraw/zinc/05/98/78/180059878.db2.gz PPUAKTDEIIEVHX-LZWOXQAQSA-N 0 3 260.381 2.166 10 0 CEAEHN Cc1ccc2c(c1)C[C@H](Cn1nccc1CNC1CC1)O2 ZINC000090901939 180060096 /nfs/dbraw/zinc/06/00/96/180060096.db2.gz HNEYBZMPJVAUJR-MRXNPFEDSA-N 0 3 283.375 2.447 10 0 CEAEHN NCc1nc(CN[C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000090932273 180066217 /nfs/dbraw/zinc/06/62/17/180066217.db2.gz QBNIBDBZUONASP-QWHCGFSZSA-N 0 3 259.378 2.248 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H](C)Cn1cccn1 ZINC000090960107 180075509 /nfs/dbraw/zinc/07/55/09/180075509.db2.gz LCEMKRSSKLZXIY-JTQLQIEISA-N 0 3 278.381 2.081 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H]1CCCC[C@@H]1O ZINC000090960594 180075556 /nfs/dbraw/zinc/07/55/56/180075556.db2.gz JNROMQMIYKCFHY-PWSUYJOCSA-N 0 3 268.382 2.100 10 0 CEAEHN CCN1CCC[C@H](NCc2sccc2NC(C)=O)C1 ZINC000090960374 180075598 /nfs/dbraw/zinc/07/55/98/180075598.db2.gz OYZQAPYQDKEYTM-LBPRGKRZSA-N 0 3 281.425 2.280 10 0 CEAEHN NCc1cccc(NC(=O)[C@H]2Cc3ccccc32)c1 ZINC000090982565 180079630 /nfs/dbraw/zinc/07/96/30/180079630.db2.gz KQYRHWHQAHHZEP-HNNXBMFYSA-N 0 3 252.317 2.424 10 0 CEAEHN NC[C@H](NC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC000090987173 180080812 /nfs/dbraw/zinc/08/08/12/180080812.db2.gz LLLBIANNMXJUOT-HOTGVXAUSA-N 0 3 266.344 2.143 10 0 CEAEHN Cc1c([C@@H](C)NCc2c[nH]c3ncccc23)cnn1C ZINC000091016940 180086896 /nfs/dbraw/zinc/08/68/96/180086896.db2.gz DBUHUTRSFOGTMJ-SNVBAGLBSA-N 0 3 269.352 2.456 10 0 CEAEHN [NH3+]CCc1nc(C(=O)[N-]c2c(F)cccc2F)cs1 ZINC000090946554 180070284 /nfs/dbraw/zinc/07/02/84/180070284.db2.gz WGVOKKCNROJWEV-UHFFFAOYSA-N 0 3 283.303 2.175 10 0 CEAEHN CC(C)(C)SCc1noc(C[C@@H]2CSCCN2)n1 ZINC000091129175 180100794 /nfs/dbraw/zinc/10/07/94/180100794.db2.gz RBOVPSAIDLSVQD-SECBINFHSA-N 0 3 287.454 2.349 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000091138365 180105858 /nfs/dbraw/zinc/10/58/58/180105858.db2.gz ZWLJUPPGVPIQNK-STQMWFEESA-N 0 3 278.421 2.267 10 0 CEAEHN CNCc1cnn(-c2ccccn2)c1C(F)(F)F ZINC000091335661 180136310 /nfs/dbraw/zinc/13/63/10/180136310.db2.gz VRWGUMVHDHRVHN-UHFFFAOYSA-N 0 3 256.231 2.006 10 0 CEAEHN CCc1c(CN)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000091335573 180136587 /nfs/dbraw/zinc/13/65/87/180136587.db2.gz DEFNPNUKSQGXNB-UHFFFAOYSA-N 0 3 270.258 2.307 10 0 CEAEHN Cc1ccc([C@@H](NCC[S@@](C)=O)C2CC2)cc1 ZINC000091341695 180137193 /nfs/dbraw/zinc/13/71/93/180137193.db2.gz WYKWUIQGDMUYLK-PBHICJAKSA-N 0 3 251.395 2.414 10 0 CEAEHN CCOC(CN[C@@H]1CCN(Cc2ccccc2)C1)OCC ZINC000091354211 180138568 /nfs/dbraw/zinc/13/85/68/180138568.db2.gz GYEZVTNEVFCXDM-MRXNPFEDSA-N 0 3 292.423 2.250 10 0 CEAEHN CCOc1ccccc1[C@H](N)CSC[C@H](C)CO ZINC000091261586 180115945 /nfs/dbraw/zinc/11/59/45/180115945.db2.gz OFWBCAGVBPWNLJ-DGCLKSJQSA-N 0 3 269.410 2.447 10 0 CEAEHN CC(C)(C)N1C(=O)CCC[C@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275606 180118856 /nfs/dbraw/zinc/11/88/56/180118856.db2.gz VCGFUWYOXBBADW-WFASDCNBSA-N 0 3 290.411 2.397 10 0 CEAEHN C[C@@H]1C[C@H](C)CN([C@@H](CN)c2cncn2C2CC2)C1 ZINC000091276175 180119167 /nfs/dbraw/zinc/11/91/67/180119167.db2.gz DUBNAFMBSHIGJP-SCRDCRAPSA-N 0 3 262.401 2.196 10 0 CEAEHN NC[C@@H](c1cncn1C1CC1)N1Cc2ccccc2C1 ZINC000091276505 180119852 /nfs/dbraw/zinc/11/98/52/180119852.db2.gz YSKRLMQRIGPAHE-HNNXBMFYSA-N 0 3 268.364 2.234 10 0 CEAEHN CCc1ccc(N(C)C(=O)C[C@H]2CSCCN2)cc1 ZINC000091290779 180122272 /nfs/dbraw/zinc/12/22/72/180122272.db2.gz KFKNVZQGCNDGDU-ZDUSSCGKSA-N 0 3 278.421 2.307 10 0 CEAEHN CC[C@H](NC1CC(O)C1)c1ccc(OC)c(OC)c1 ZINC000091431102 180153474 /nfs/dbraw/zinc/15/34/74/180153474.db2.gz ZTSGLWWAHWKBAM-BPCQOVAHSA-N 0 3 265.353 2.268 10 0 CEAEHN CCNCc1cncc(Oc2cc(OC)cc(OC)c2)n1 ZINC000091434004 180154232 /nfs/dbraw/zinc/15/42/32/180154232.db2.gz WXZLJXSQTMVQLK-UHFFFAOYSA-N 0 3 289.335 2.396 10 0 CEAEHN CNCc1cncc(Oc2c(OC)cccc2OC)n1 ZINC000091434144 180154423 /nfs/dbraw/zinc/15/44/23/180154423.db2.gz FASVFMZBUNMKMM-UHFFFAOYSA-N 0 3 275.308 2.006 10 0 CEAEHN CSC1(C(N)=S)CCN(CCC(F)(F)F)CC1 ZINC000091488301 180168616 /nfs/dbraw/zinc/16/86/16/180168616.db2.gz JDCQLGBCMOREOL-UHFFFAOYSA-N 0 3 286.388 2.423 10 0 CEAEHN CCOCCN(CC)c1cncc(CNCC(C)C)n1 ZINC000091421669 180151271 /nfs/dbraw/zinc/15/12/71/180151271.db2.gz FOQRFVHEKLUPKR-UHFFFAOYSA-N 0 3 280.416 2.085 10 0 CEAEHN CCN[C@H](c1cnccn1)C(C)(C)N1CCCCC1 ZINC000091565083 180193757 /nfs/dbraw/zinc/19/37/57/180193757.db2.gz AFSMFVGXOKAZJM-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN CC(C)([C@@H](N)c1cncc(F)c1)N1CCCCC1 ZINC000091564598 180193763 /nfs/dbraw/zinc/19/37/63/180193763.db2.gz AKYMNMQSSLKYNA-ZDUSSCGKSA-N 0 3 251.349 2.485 10 0 CEAEHN CC(C)([C@H](N)c1cccc2cnccc21)N1CCOCC1 ZINC000091566323 180194023 /nfs/dbraw/zinc/19/40/23/180194023.db2.gz ZNUPKBPNRQYCPR-MRXNPFEDSA-N 0 3 285.391 2.345 10 0 CEAEHN CCN(CC)[C@@](C)(CC)C(=O)Cc1ncnn1C(C)C ZINC000091572562 180196196 /nfs/dbraw/zinc/19/61/96/180196196.db2.gz HBWXDNOPLHICAN-HNNXBMFYSA-N 0 3 280.416 2.481 10 0 CEAEHN CCN[C@@H](c1cncnc1)[C@@](C)(CC)N1CCCC1 ZINC000091607180 180204353 /nfs/dbraw/zinc/20/43/53/180204353.db2.gz ZKCMWSIJXKJIFK-LSDHHAIUSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@](C)([C@@H](O)CCc1ccccc1)N1CCOCC1 ZINC000091610952 180205011 /nfs/dbraw/zinc/20/50/11/180205011.db2.gz UVLYZKJPVPQXTC-DLBZAZTESA-N 0 3 277.408 2.481 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091611924 180206503 /nfs/dbraw/zinc/20/65/03/180206503.db2.gz AHMLPUMDAANFFD-LSDHHAIUSA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@](C)([C@@H](O)CC1CCCC1)N1CCOCC1 ZINC000091611216 180206727 /nfs/dbraw/zinc/20/67/27/180206727.db2.gz AKXASBBTILOFLN-LSDHHAIUSA-N 0 3 255.402 2.429 10 0 CEAEHN CCN[C@@H](c1cncc(F)c1)[C@](C)(CC)N1CCOCC1 ZINC000091612995 180207375 /nfs/dbraw/zinc/20/73/75/180207375.db2.gz TYSWFQVWXKCIHR-HOTGVXAUSA-N 0 3 295.402 2.372 10 0 CEAEHN CCN(CC)C(C)(C)[C@H](NC)c1nccn1CC ZINC000091531009 180180247 /nfs/dbraw/zinc/18/02/47/180180247.db2.gz GNDOXLKTTHGHQN-GFCCVEGCSA-N 0 3 252.406 2.284 10 0 CEAEHN CCN[C@@H](c1nccn1CC)C(C)(C)N1CCCC1 ZINC000091535711 180181910 /nfs/dbraw/zinc/18/19/10/180181910.db2.gz JLISUKDKZKPWOM-ZDUSSCGKSA-N 0 3 264.417 2.428 10 0 CEAEHN CC[C@H](C)C[C@@H](O)C1(N2CCOCC2)CCCC1 ZINC000091642612 180213886 /nfs/dbraw/zinc/21/38/86/180213886.db2.gz VHDYYFCEBUUFMH-UONOGXRCSA-N 0 3 255.402 2.429 10 0 CEAEHN CCn1ccnc1[C@@H](N)C1(N(C)C)CCCCC1 ZINC000091647261 180215274 /nfs/dbraw/zinc/21/52/74/180215274.db2.gz HHVQZXVKKKABRX-GFCCVEGCSA-N 0 3 250.390 2.167 10 0 CEAEHN CN[C@H](c1cncnc1)C1(N(C)C)CCCCCC1 ZINC000091654411 180216979 /nfs/dbraw/zinc/21/69/79/180216979.db2.gz GRTASPYQWWWTLP-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN CCN1CCC(N(C)c2nc(Cl)ncc2C)CC1 ZINC000091658683 180218397 /nfs/dbraw/zinc/21/83/97/180218397.db2.gz WJOFAGWTHAAWEX-UHFFFAOYSA-N 0 3 268.792 2.359 10 0 CEAEHN c1cnc2c(c1)CCC[C@@H]2N[C@@H]1CN2CCC1CC2 ZINC000091660180 180218431 /nfs/dbraw/zinc/21/84/31/180218431.db2.gz SOYQUNZWYPMMTH-LSDHHAIUSA-N 0 3 257.381 2.143 10 0 CEAEHN Nc1cc(Cl)c(F)cc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091662886 180220407 /nfs/dbraw/zinc/22/04/07/180220407.db2.gz UAFOTYGXHKUJFD-ZJUUUORDSA-N 0 3 299.777 2.336 10 0 CEAEHN Cc1ccsc1[C@H](C)NC[C@@H]1CN(C)CCO1 ZINC000091667213 180223638 /nfs/dbraw/zinc/22/36/38/180223638.db2.gz LHRUTDRVDAFBQV-NWDGAFQWSA-N 0 3 254.399 2.038 10 0 CEAEHN CC[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccccc1F ZINC000624238818 350241852 /nfs/dbraw/zinc/24/18/52/350241852.db2.gz ZEVXHRXTQGPGML-MJBXVCDLSA-N 0 3 253.317 2.016 10 0 CEAEHN CN[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CN(C)CCO1 ZINC000091717600 180232229 /nfs/dbraw/zinc/23/22/29/180232229.db2.gz GRLBTYBMSOYTPU-QWHCGFSZSA-N 0 3 288.313 2.297 10 0 CEAEHN CCCOc1ccc([C@@H](NC)[C@H]2CN(C)CCO2)cc1 ZINC000091718037 180232855 /nfs/dbraw/zinc/23/28/55/180232855.db2.gz WEBDDILCZPWRAF-HZPDHXFCSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@@H](CN(C)C)c1ccccc1OC(F)(F)F ZINC000091719690 180234163 /nfs/dbraw/zinc/23/41/63/180234163.db2.gz LGGDXJMQILFPCY-JTQLQIEISA-N 0 3 262.275 2.407 10 0 CEAEHN Cc1ccc(C)c([C@H](N)[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091720651 180236820 /nfs/dbraw/zinc/23/68/20/180236820.db2.gz XHNGWWSPIFXXLO-BMFZPTHFSA-N 0 3 260.381 2.166 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@@H](CC)NC[C@H]2CC)o1 ZINC000091762868 180248500 /nfs/dbraw/zinc/24/85/00/180248500.db2.gz LJUKKTBYCPZLJK-VXGBXAGGSA-N 0 3 264.369 2.445 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721873 180240611 /nfs/dbraw/zinc/24/06/11/180240611.db2.gz FAKKIXJBHDYSRR-OWCLPIDISA-N 0 3 278.371 2.340 10 0 CEAEHN Cc1noc(CCNCc2ccc(Cl)cc2)n1 ZINC000105470138 186058947 /nfs/dbraw/zinc/05/89/47/186058947.db2.gz MSZBBLFQHHPRNU-UHFFFAOYSA-N 0 3 251.717 2.364 10 0 CEAEHN Cc1noc(CCNCc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000105469786 186059314 /nfs/dbraw/zinc/05/93/14/186059314.db2.gz VWFOPPZJWQQODC-CABZTGNLSA-N 0 3 261.325 2.427 10 0 CEAEHN Cc1noc(CCNCc2cc(F)c(F)c(F)c2)n1 ZINC000105469051 186059485 /nfs/dbraw/zinc/05/94/85/186059485.db2.gz IFILCNHLCWAIOS-UHFFFAOYSA-N 0 3 271.242 2.128 10 0 CEAEHN CCn1cc(CN(C)C2CCC3(CC2)OCCO3)cn1 ZINC000091853715 180273801 /nfs/dbraw/zinc/27/38/01/180273801.db2.gz GCJCIPFHSCWQQQ-UHFFFAOYSA-N 0 3 279.384 2.021 10 0 CEAEHN CCNCc1ncoc1-c1ccc(OC)cc1OC ZINC000091957768 180292498 /nfs/dbraw/zinc/29/24/98/180292498.db2.gz HLXXBEZPDLREQJ-UHFFFAOYSA-N 0 3 262.309 2.468 10 0 CEAEHN CCNCc1ncoc1-c1cccc(OC)c1OC ZINC000091957854 180292740 /nfs/dbraw/zinc/29/27/40/180292740.db2.gz DTHSGUYWDKAVAE-UHFFFAOYSA-N 0 3 262.309 2.468 10 0 CEAEHN CC1(C)C[C@@H]1NCc1cnc2cnc(Br)cn12 ZINC000092049852 180312005 /nfs/dbraw/zinc/31/20/05/180312005.db2.gz CLTZJNZZUFJNCN-VIFPVBQESA-N 0 3 295.184 2.380 10 0 CEAEHN CNCc1nc(C)ccc1OCc1nccn1C(F)F ZINC000091994206 180301148 /nfs/dbraw/zinc/30/11/48/180301148.db2.gz WFUHSJQDJGWJQJ-UHFFFAOYSA-N 0 3 282.294 2.280 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]2n2ccnc2)n1 ZINC000091994162 180301200 /nfs/dbraw/zinc/30/12/00/180301200.db2.gz ZJHBQIVWUYZJRG-GXTWGEPZSA-N 0 3 272.352 2.176 10 0 CEAEHN CCN(C)C(=O)COc1ccc(C)nc1CNC(C)(C)C ZINC000091996160 180301774 /nfs/dbraw/zinc/30/17/74/180301774.db2.gz DITCNZOLMVDDNW-UHFFFAOYSA-N 0 3 293.411 2.135 10 0 CEAEHN Cc1ccc(OC[C@@H](O)COC(C)C)c(CNC(C)C)n1 ZINC000091995574 180302048 /nfs/dbraw/zinc/30/20/48/180302048.db2.gz PTKVJFHAWBCPIE-AWEZNQCLSA-N 0 3 296.411 2.053 10 0 CEAEHN CCCCCN(C)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115648 180327144 /nfs/dbraw/zinc/32/71/44/180327144.db2.gz KYIMMMHABRWXTQ-UHFFFAOYSA-N 0 3 288.388 2.095 10 0 CEAEHN COC(C)(C)[C@@H](N)c1ccc2c(c1)OCCCO2 ZINC000092138769 180333543 /nfs/dbraw/zinc/33/35/43/180333543.db2.gz DTZINQCAQNTJOM-ZDUSSCGKSA-N 0 3 251.326 2.273 10 0 CEAEHN COc1ccc(N)cc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000092080532 180318862 /nfs/dbraw/zinc/31/88/62/180318862.db2.gz KQHBQYAOQOEZMM-TUAOUCFPSA-N 0 3 291.395 2.192 10 0 CEAEHN CNCc1nc(C(C)C)ncc1N1C[C@H](C)[C@@H](C)C1 ZINC000092088899 180321736 /nfs/dbraw/zinc/32/17/36/180321736.db2.gz MLGQIAANKXQRGU-RYUDHWBXSA-N 0 3 262.401 2.412 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000105872302 186080453 /nfs/dbraw/zinc/08/04/53/186080453.db2.gz FBVRZOHBTPSBRC-KOLCDFICSA-N 0 3 278.306 2.222 10 0 CEAEHN CC(C)(C)NCc1cn(C[C@@H]2COc3ccccc32)nn1 ZINC000092308054 180360358 /nfs/dbraw/zinc/36/03/58/180360358.db2.gz VPTLVVGGCCVNFZ-GFCCVEGCSA-N 0 3 286.379 2.342 10 0 CEAEHN COC(=O)CCN(C)C[C@@H]1Cc2ccccc2S1 ZINC000092270221 180355865 /nfs/dbraw/zinc/35/58/65/180355865.db2.gz JDDUFAFFSXYFHP-LBPRGKRZSA-N 0 3 265.378 2.198 10 0 CEAEHN Cc1cnc(CNC[C@H]2COc3ccccc32)cn1 ZINC000092300815 180358425 /nfs/dbraw/zinc/35/84/25/180358425.db2.gz XGYFXXLGWNGJHI-LBPRGKRZSA-N 0 3 255.321 2.051 10 0 CEAEHN COc1cc(CNC[C@@H]2COc3ccccc32)ccn1 ZINC000092300882 180358892 /nfs/dbraw/zinc/35/88/92/180358892.db2.gz WBLUBTOXHXOWAU-CYBMUJFWSA-N 0 3 270.332 2.356 10 0 CEAEHN CCNc1cccc(CN2CCCSCC2)n1 ZINC000092369970 180370031 /nfs/dbraw/zinc/37/00/31/180370031.db2.gz CCRSXNFAPMDWFF-UHFFFAOYSA-N 0 3 251.399 2.452 10 0 CEAEHN CCCN[C@@H]1c2cc(OC)ccc2CC[C@@H]1S(C)(=O)=O ZINC000092388538 180374448 /nfs/dbraw/zinc/37/44/48/180374448.db2.gz DLKWWYDANKIQAM-LSDHHAIUSA-N 0 3 297.420 2.095 10 0 CEAEHN CCN(CCOC)[C@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387864 180374902 /nfs/dbraw/zinc/37/49/02/180374902.db2.gz RLKXSAKAUYWCAD-HOTGVXAUSA-N 0 3 279.380 2.012 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@H](Sc1nnc(C)o1)CC2 ZINC000092389895 180375638 /nfs/dbraw/zinc/37/56/38/180375638.db2.gz DLOJJQKHVBPIFI-CHWSQXEVSA-N 0 3 291.376 2.494 10 0 CEAEHN COc1ccc([C@H]2CN[C@H](C(C)C)CO2)cc1OC ZINC000092403138 180378418 /nfs/dbraw/zinc/37/84/18/180378418.db2.gz QOQVJEFJJQYRLL-SWLSCSKDSA-N 0 3 265.353 2.389 10 0 CEAEHN CN(Cc1cc(Cl)ccn1)[C@@H]1CCCN(C)C1 ZINC000092416615 180380695 /nfs/dbraw/zinc/38/06/95/180380695.db2.gz BBRHATQCZAUFHE-CYBMUJFWSA-N 0 3 253.777 2.261 10 0 CEAEHN CCNc1ccnc(CN2CCCSCC2)c1 ZINC000092418897 180382072 /nfs/dbraw/zinc/38/20/72/180382072.db2.gz MPGFCUMDYKMCFK-UHFFFAOYSA-N 0 3 251.399 2.452 10 0 CEAEHN NNc1ccnc(CN2CCCc3ccccc3C2)c1 ZINC000092425213 180383697 /nfs/dbraw/zinc/38/36/97/180383697.db2.gz INCABTKVGQZIKI-UHFFFAOYSA-N 0 3 268.364 2.316 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@@H](n1ccc(C)n1)CC2 ZINC000092386199 180373665 /nfs/dbraw/zinc/37/36/65/180373665.db2.gz TZPLNODCHMZFLF-LSDHHAIUSA-N 0 3 257.337 2.387 10 0 CEAEHN CSc1ccsc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000107246908 186164420 /nfs/dbraw/zinc/16/44/20/186164420.db2.gz BVQWYYLOZNCYNB-SECBINFHSA-N 0 3 270.423 2.246 10 0 CEAEHN CNC(=O)c1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000109004670 186239401 /nfs/dbraw/zinc/23/94/01/186239401.db2.gz MMUVFGKAUCQAGX-UHFFFAOYSA-N 0 3 298.390 2.149 10 0 CEAEHN O=C(CN[C@@H]1CCCOC1)Nc1ccccc1Cl ZINC000109546793 186262363 /nfs/dbraw/zinc/26/23/63/186262363.db2.gz JDMRBUHOAFFZDB-SNVBAGLBSA-N 0 3 268.744 2.047 10 0 CEAEHN CCc1cccc2c(CC(=O)N3CC[C@H](N(C)C)C3)c[nH]c21 ZINC000109272346 186247511 /nfs/dbraw/zinc/24/75/11/186247511.db2.gz HKMXIEKDXQMNLJ-HNNXBMFYSA-N 0 3 299.418 2.435 10 0 CEAEHN CCN[C@H](CN(CCC(C)C)C1CC1)C(=O)OCC ZINC000109999538 186281991 /nfs/dbraw/zinc/28/19/91/186281991.db2.gz UDGQCJLNHHACBD-CQSZACIVSA-N 0 3 270.417 2.038 10 0 CEAEHN CC[C@H](C(N)=S)N1CCN(Cc2cccc(F)c2)CC1 ZINC000110460818 186296964 /nfs/dbraw/zinc/29/69/64/186296964.db2.gz KHYNYMJTWOKBNA-CQSZACIVSA-N 0 3 295.427 2.008 10 0 CEAEHN CCc1nc(-c2ccc(OC)c(O)c2)nc(NN)c1C ZINC000110477676 186299580 /nfs/dbraw/zinc/29/95/80/186299580.db2.gz FYXYUADFEACCSE-UHFFFAOYSA-N 0 3 274.324 2.014 10 0 CEAEHN CCN[C@@H](CO[C@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526465 186301121 /nfs/dbraw/zinc/30/11/21/186301121.db2.gz ZVTLXRXPASHWQB-ZFWWWQNUSA-N 0 3 279.380 2.460 10 0 CEAEHN CCCNCc1nc(C(C)C)ncc1O[C@@H]1CCOC1 ZINC000110532557 186302084 /nfs/dbraw/zinc/30/20/84/186302084.db2.gz ZAQNPPISASVXBX-GFCCVEGCSA-N 0 3 279.384 2.267 10 0 CEAEHN CCOc1cc(N[C@@H]2CCCN(C)C2)c(N)cc1F ZINC000110633310 186307447 /nfs/dbraw/zinc/30/74/47/186307447.db2.gz TZQVSSJSNLBXCV-SNVBAGLBSA-N 0 3 267.348 2.313 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)CC1CCCC1)NC(C)C ZINC000110841279 186328234 /nfs/dbraw/zinc/32/82/34/186328234.db2.gz VVDDDRJATABQHR-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CN(CC1CCCC1)c1nc2ccccn2c1CN ZINC000110839065 186328350 /nfs/dbraw/zinc/32/83/50/186328350.db2.gz VHNQUIMYWWFTON-UHFFFAOYSA-N 0 3 258.369 2.419 10 0 CEAEHN COC(=O)[C@@](C)(CN(C)CC1CCCC1)NC(C)C ZINC000110841061 186328431 /nfs/dbraw/zinc/32/84/31/186328431.db2.gz YZVUDXKOKVZTRZ-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CO[C@H]1CCC[C@@H]1NCc1n[nH]nc1-c1ccccc1 ZINC000110925353 186333534 /nfs/dbraw/zinc/33/35/34/186333534.db2.gz IVEZRZGZHCORFQ-JSGCOSHPSA-N 0 3 272.352 2.129 10 0 CEAEHN CO[C@H]1CCC[C@@H]1NCc1[nH]nnc1-c1ccccc1 ZINC000110925353 186333535 /nfs/dbraw/zinc/33/35/35/186333535.db2.gz IVEZRZGZHCORFQ-JSGCOSHPSA-N 0 3 272.352 2.129 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc([C@@H](CN)N2CCN(C)C(C)(C)C2)o1 ZINC000110711872 186315936 /nfs/dbraw/zinc/31/59/36/186315936.db2.gz VEFYOWMIGCXNSZ-HZSPNIEDSA-N 0 3 291.439 2.429 10 0 CEAEHN CC[C@@H]1CN(CCNc2ccccc2F)CCN1C ZINC000110757238 186320377 /nfs/dbraw/zinc/32/03/77/186320377.db2.gz SDJAXTTVYFQWRC-CYBMUJFWSA-N 0 3 265.376 2.264 10 0 CEAEHN CCN1CCN(Cc2occc2CNC(C)C)C[C@@H]1C ZINC000110752674 186321353 /nfs/dbraw/zinc/32/13/53/186321353.db2.gz WAGBAMQSPHFUNL-AWEZNQCLSA-N 0 3 279.428 2.304 10 0 CEAEHN C[C@@H]1CN(Cc2ccoc2CNC(C)(C)C)CCN1C ZINC000110752300 186321844 /nfs/dbraw/zinc/32/18/44/186321844.db2.gz OBQZCUORBPJXOX-CYBMUJFWSA-N 0 3 279.428 2.304 10 0 CEAEHN O=C1CC[C@H](N[C@@H]2CCSc3c(F)cccc32)CN1 ZINC000111018070 186344593 /nfs/dbraw/zinc/34/45/93/186344593.db2.gz UPJFBHJUABMAQM-JOYOIKCWSA-N 0 3 280.368 2.231 10 0 CEAEHN NC[C@@H](c1cccc(F)c1F)N1CCSCC1 ZINC000111039127 186346581 /nfs/dbraw/zinc/34/65/81/186346581.db2.gz QTVXRTRPTAJCSP-NSHDSACASA-N 0 3 258.337 2.013 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1[C@@H](CN)c1cccc(F)c1F ZINC000111039493 186346592 /nfs/dbraw/zinc/34/65/92/186346592.db2.gz NJMXZAWRKYWPBK-MJVIPROJSA-N 0 3 284.350 2.464 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1ccc(C)s1 ZINC000111116622 186353782 /nfs/dbraw/zinc/35/37/82/186353782.db2.gz UFGCADMISKRJKR-LBPRGKRZSA-N 0 3 256.415 2.415 10 0 CEAEHN CCOCCN(CC)C[C@@H](N)c1ccc(OCC)cc1 ZINC000111118081 186354412 /nfs/dbraw/zinc/35/44/12/186354412.db2.gz AQTUJDBNXBGYFE-MRXNPFEDSA-N 0 3 280.412 2.444 10 0 CEAEHN CCC[C@H]1CCC(=O)[C@@H](CN(C)CCN(C)C)C1 ZINC000111146388 186358959 /nfs/dbraw/zinc/35/89/59/186358959.db2.gz SSXNXIUQULEBSG-UONOGXRCSA-N 0 3 254.418 2.265 10 0 CEAEHN c1ncn([C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111229507 186371430 /nfs/dbraw/zinc/37/14/30/186371430.db2.gz HEMRRVRMIDYWDP-OAHLLOKOSA-N 0 3 284.363 2.050 10 0 CEAEHN Cc1nn(C)c(Sc2ncnc3ccccc32)c1CN ZINC000111351618 186404428 /nfs/dbraw/zinc/40/44/28/186404428.db2.gz IPZFFBKMPNTTNH-UHFFFAOYSA-N 0 3 285.376 2.282 10 0 CEAEHN Cc1cc([C@H](C)NC(=O)c2ccc(CN)cn2)c(C)o1 ZINC000111282132 186388067 /nfs/dbraw/zinc/38/80/67/186388067.db2.gz AUVGEVWUGILKAH-JTQLQIEISA-N 0 3 273.336 2.241 10 0 CEAEHN CCCc1c(Cl)ncnc1N[C@H]1CCN(C)C1 ZINC000111297331 186391954 /nfs/dbraw/zinc/39/19/54/186391954.db2.gz YGUVCYDFPHBOGQ-VIFPVBQESA-N 0 3 254.765 2.199 10 0 CEAEHN COCCNCc1ccccc1Sc1ccncn1 ZINC000111569093 186428980 /nfs/dbraw/zinc/42/89/80/186428980.db2.gz ZAQMGTPYZSSUGB-UHFFFAOYSA-N 0 3 275.377 2.364 10 0 CEAEHN NC[C@@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000111365443 186406836 /nfs/dbraw/zinc/40/68/36/186406836.db2.gz WMHRDMMDEDBYLM-OAHLLOKOSA-N 0 3 272.323 2.184 10 0 CEAEHN Cc1ncc(CN2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000628181553 350993427 /nfs/dbraw/zinc/99/34/27/350993427.db2.gz HKVSETTUMHNNTM-TZMCWYRMSA-N 0 3 250.342 2.110 10 0 CEAEHN Cn1cc([C@H]2CCN(CCOc3ccc(F)cc3)C2)cn1 ZINC000116316738 186707105 /nfs/dbraw/zinc/70/71/05/186707105.db2.gz QWCJNOLRRYPIKB-ZDUSSCGKSA-N 0 3 289.354 2.428 10 0 CEAEHN Cc1cnn([C@H]2CCCN(CC3=CCCOC3)C2)c1 ZINC000123084437 187070481 /nfs/dbraw/zinc/07/04/81/187070481.db2.gz UWHREBLFKYDINE-HNNXBMFYSA-N 0 3 261.369 2.175 10 0 CEAEHN C[C@H](CN[C@@H](C)c1cccnc1Cl)N1CCOCC1 ZINC000123322024 187084819 /nfs/dbraw/zinc/08/48/19/187084819.db2.gz MUSXTMQECYDMGX-NEPJUHHUSA-N 0 3 283.803 2.106 10 0 CEAEHN CCC[C@H](C(=O)N1CCS[C@H](CC)C1)N(C)C ZINC000123621783 187100965 /nfs/dbraw/zinc/10/09/65/187100965.db2.gz BQZQFSJQZZPWLH-VXGBXAGGSA-N 0 3 258.431 2.071 10 0 CEAEHN CN(Cc1cc(Cl)cn1C)[C@@H]1CCCC[C@H]1O ZINC000245579312 539952117 /nfs/dbraw/zinc/95/21/17/539952117.db2.gz BXBAMUQMTIVTTH-CHWSQXEVSA-N 0 3 256.777 2.414 10 0 CEAEHN COc1cccnc1NCc1ccc2c(c1)CNC2 ZINC000097829826 539953265 /nfs/dbraw/zinc/95/32/65/539953265.db2.gz ZTKRKZHRSCLWOP-UHFFFAOYSA-N 0 3 255.321 2.306 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251067282 539971834 /nfs/dbraw/zinc/97/18/34/539971834.db2.gz DOWMUVAPCBWJTN-FQUUOJAGSA-N 0 3 250.386 2.023 10 0 CEAEHN COc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000155686781 188221534 /nfs/dbraw/zinc/22/15/34/188221534.db2.gz VRUCMJHVIYDFLZ-DOMZBBRYSA-N 0 3 276.380 2.154 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccncc2F)=C[C@@H](N)C1 ZINC000675078064 540119247 /nfs/dbraw/zinc/11/92/47/540119247.db2.gz MAISVBHTSBVKQV-LLVKDONJSA-N 0 3 293.342 2.182 10 0 CEAEHN CC[C@H](C)N=[S@](=O)(c1ccc(N)cc1)N(C)C ZINC000675074902 540116124 /nfs/dbraw/zinc/11/61/24/540116124.db2.gz JOPUJORKUOTFNE-DYZYQPBXSA-N 0 3 255.387 2.371 10 0 CEAEHN C[C@H]1CN(C[C@](C)(O)c2ccccc2)CCS1 ZINC000134342305 366310279 /nfs/dbraw/zinc/31/02/79/366310279.db2.gz ZLIDZTBSRUIDDZ-JSGCOSHPSA-N 0 3 251.395 2.331 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccco1 ZINC000079011857 363564692 /nfs/dbraw/zinc/56/46/92/363564692.db2.gz REIXWNXZQAGWFJ-GFCCVEGCSA-N 0 3 267.373 2.055 10 0 CEAEHN CC[C@@H]1CN(c2nc3ccccc3[nH]2)CCN1CCOC ZINC000134949516 366377842 /nfs/dbraw/zinc/37/78/42/366377842.db2.gz WTUASFWWPZQHII-CYBMUJFWSA-N 0 3 288.395 2.110 10 0 CEAEHN C[C@@]1(C(=O)N2CCC[C@H](C(F)(F)F)C2)CCCCN1 ZINC000136139097 366498756 /nfs/dbraw/zinc/49/87/56/366498756.db2.gz YPBJAFOQROQHGE-JQWIXIFHSA-N 0 3 278.318 2.320 10 0 CEAEHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC[C@@H](C)O2)o1 ZINC000151040932 366615203 /nfs/dbraw/zinc/61/52/03/366615203.db2.gz QWEVEFLSEOLEEZ-HIFRSBDPSA-N 0 3 294.395 2.046 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1cc(C)ccc1OC(F)F ZINC000236963729 370667260 /nfs/dbraw/zinc/66/72/60/370667260.db2.gz YHULZFXHTUSDJY-LLVKDONJSA-N 0 3 286.322 2.340 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)COc1ccccc1F ZINC000177026997 189022164 /nfs/dbraw/zinc/02/21/64/189022164.db2.gz FVCZMKNJADKHNY-ZDUSSCGKSA-N 0 3 294.370 2.147 10 0 CEAEHN Cc1cccc(NC[C@H]2CCN(Cc3cncn3C)C2)n1 ZINC000177034737 189022705 /nfs/dbraw/zinc/02/27/05/189022705.db2.gz RNTIWNVYXKESSP-CQSZACIVSA-N 0 3 285.395 2.058 10 0 CEAEHN CC[C@@H](C(=O)N[C@H](C)COCc1ccccc1)N(C)C ZINC000178567859 189127774 /nfs/dbraw/zinc/12/77/74/189127774.db2.gz ZYJIDDRFSDWUGL-HIFRSBDPSA-N 0 3 278.396 2.048 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)c1ccc(C(C)=O)cn1 ZINC000178881815 189152036 /nfs/dbraw/zinc/15/20/36/189152036.db2.gz SKLRIJJKXJPHKZ-CQSZACIVSA-N 0 3 261.369 2.205 10 0 CEAEHN COc1ccc([C@H](C)CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000179637291 189209256 /nfs/dbraw/zinc/20/92/56/189209256.db2.gz VIDORQPAYNZRKR-CZUORRHYSA-N 0 3 290.407 2.351 10 0 CEAEHN CC(C)n1cc(CN2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000179808095 189221128 /nfs/dbraw/zinc/22/11/28/189221128.db2.gz MRPCSWUOQYYHKP-CQSZACIVSA-N 0 3 273.384 2.187 10 0 CEAEHN CC[C@@H](C)N[C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000179804685 189221450 /nfs/dbraw/zinc/22/14/50/189221450.db2.gz IAIKHMYLWMRGFW-ZJUUUORDSA-N 0 3 278.360 2.330 10 0 CEAEHN CC[C@@H](C)[NH2+][C@@H](CC(C)C)c1nc(-c2nc[n-]n2)no1 ZINC000179804685 189221451 /nfs/dbraw/zinc/22/14/51/189221451.db2.gz IAIKHMYLWMRGFW-ZJUUUORDSA-N 0 3 278.360 2.330 10 0 CEAEHN COc1ccccc1CCNCc1cnn(C)c1C ZINC000002536447 361239064 /nfs/dbraw/zinc/23/90/64/361239064.db2.gz MZQIWMBWAKVLCG-UHFFFAOYSA-N 0 3 259.353 2.069 10 0 CEAEHN COc1cc([C@H](C)N)c(OC)cc1Br ZINC000003705590 361288243 /nfs/dbraw/zinc/28/82/43/361288243.db2.gz JKOMOTQHGDWZAQ-LURJTMIESA-N 0 3 260.131 2.486 10 0 CEAEHN COc1ccc(-c2nc(C)c(C)c(N3CCNCC3)n2)cc1 ZINC000006740667 361338759 /nfs/dbraw/zinc/33/87/59/361338759.db2.gz HUJBNNLSEXHJIK-UHFFFAOYSA-N 0 3 298.390 2.179 10 0 CEAEHN Cc1ccc(C)c(NC(=O)CN2CCN3CCC[C@@H]3C2)c1 ZINC000023249619 361595804 /nfs/dbraw/zinc/59/58/04/361595804.db2.gz BJGZRRLFPFXYII-OAHLLOKOSA-N 0 3 287.407 2.022 10 0 CEAEHN COc1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000027932489 361662933 /nfs/dbraw/zinc/66/29/33/361662933.db2.gz VWJNJHBWNSBJHS-CYBMUJFWSA-N 0 3 275.352 2.007 10 0 CEAEHN C[C@@H]1CNC[C@H](c2ccc(Br)cc2)O1 ZINC000032108967 361728232 /nfs/dbraw/zinc/72/82/32/361728232.db2.gz RNNLKNHVQCIWCM-LDYMZIIASA-N 0 3 256.143 2.499 10 0 CEAEHN Cc1cc(Cl)cc(CN[C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000334597173 364063280 /nfs/dbraw/zinc/06/32/80/364063280.db2.gz OWOCURYXWBJHOB-GXFFZTMASA-N 0 3 266.772 2.405 10 0 CEAEHN Cc1n[nH]cc1CN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000092813426 364110553 /nfs/dbraw/zinc/11/05/53/364110553.db2.gz DDTZXSAGAUNBPK-CQSZACIVSA-N 0 3 285.395 2.356 10 0 CEAEHN C[C@]1(C(=O)N2CCCC3(CC3)CC2)CCCCN1 ZINC000638755915 370726919 /nfs/dbraw/zinc/72/69/19/370726919.db2.gz ICDSZLYHEDREON-CQSZACIVSA-N 0 3 250.386 2.311 10 0 CEAEHN Cc1c(CNCCOC2CCCCC2)cnn1C ZINC000093650291 364211351 /nfs/dbraw/zinc/21/13/51/364211351.db2.gz ZPAHQSGOVCHEIN-UHFFFAOYSA-N 0 3 251.374 2.167 10 0 CEAEHN COc1c(CN2CC[C@H](C)[C@H](C)C2)c(C)nn1C ZINC000093480899 364190305 /nfs/dbraw/zinc/19/03/05/364190305.db2.gz LCSLJTOOMKDJNB-WDEREUQCSA-N 0 3 251.374 2.215 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)c1c(F)c(F)nc(F)c1F ZINC000094628429 364284908 /nfs/dbraw/zinc/28/49/08/364284908.db2.gz MDYPFVYKBVSEON-ZETCQYMHSA-N 0 3 277.265 2.026 10 0 CEAEHN CC(C)(C)OC(=O)N1CCN[C@H]2CCCC[C@@H]2C1 ZINC000095215333 364341779 /nfs/dbraw/zinc/34/17/79/364341779.db2.gz HRQAUZRRQQJTJN-NEPJUHHUSA-N 0 3 254.374 2.386 10 0 CEAEHN CCc1ccc(N2C(=O)C[C@@H](NC3CCCC3)C2=O)cc1 ZINC000102405638 364593684 /nfs/dbraw/zinc/59/36/84/364593684.db2.gz WKOGNPNJXITZLC-OAHLLOKOSA-N 0 3 286.375 2.413 10 0 CEAEHN Cc1ccc([O-])c(CN[C@@H](CN(C)C)c2ccccc2)n1 ZINC000103341268 364641928 /nfs/dbraw/zinc/64/19/28/364641928.db2.gz JVPDPTJZFMSSGH-INIZCTEOSA-N 0 3 285.391 2.488 10 0 CEAEHN Cc1ccc(O)c(CN[C@@H](CN(C)C)c2ccccc2)n1 ZINC000103341268 364641932 /nfs/dbraw/zinc/64/19/32/364641932.db2.gz JVPDPTJZFMSSGH-INIZCTEOSA-N 0 3 285.391 2.488 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)o1 ZINC000105905219 364702750 /nfs/dbraw/zinc/70/27/50/364702750.db2.gz ALLQACICNTXCPM-CYBMUJFWSA-N 0 3 272.352 2.137 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@@H]1CCCO1 ZINC000105895495 364703297 /nfs/dbraw/zinc/70/32/97/364703297.db2.gz HTVRHGUCCPCCHR-UONOGXRCSA-N 0 3 263.385 2.353 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1csc(C2CC2)n1 ZINC000113232853 364878136 /nfs/dbraw/zinc/87/81/36/364878136.db2.gz GEPFJSZBEWOPHS-ZYHUDNBSSA-N 0 3 291.420 2.329 10 0 CEAEHN CCc1sc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1C ZINC000116796196 365069675 /nfs/dbraw/zinc/06/96/75/365069675.db2.gz RKGHBGGACKOOLM-GFCCVEGCSA-N 0 3 296.436 2.022 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000117786553 365125794 /nfs/dbraw/zinc/12/57/94/365125794.db2.gz XWXQIEWGGKWBRR-KIUWMYQTSA-N 0 3 295.386 2.411 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)CC(C)(C)OC)N(C)C ZINC000120285924 365401669 /nfs/dbraw/zinc/40/16/69/365401669.db2.gz LTFFDFSAENWEHM-RYUDHWBXSA-N 0 3 258.406 2.037 10 0 CEAEHN CN1CCO[C@@H](CNCc2cc[nH]c2)[C@@H]1c1ccccc1 ZINC000583616579 367073318 /nfs/dbraw/zinc/07/33/18/367073318.db2.gz MESCMMPHUVSYCJ-IRXDYDNUSA-N 0 3 285.391 2.176 10 0 CEAEHN CCC[C@H](C(=O)NCCc1sc(C)nc1C)N(C)C ZINC000162062895 367134763 /nfs/dbraw/zinc/13/47/63/367134763.db2.gz FMDJDIUFISHVID-GFCCVEGCSA-N 0 3 283.441 2.149 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)CC(=O)N1CCN2CCC[C@H]2C1 ZINC000245539042 370834505 /nfs/dbraw/zinc/83/45/05/370834505.db2.gz JILOEZTWGXGTFQ-FZMZJTMJSA-N 0 3 291.395 2.092 10 0 CEAEHN c1[nH]nc(-c2cccnc2)c1CN1CCN2CCCC[C@H]2C1 ZINC000245559269 370839090 /nfs/dbraw/zinc/83/90/90/370839090.db2.gz LSJPIZXKEPMUHI-INIZCTEOSA-N 0 3 297.406 2.142 10 0 CEAEHN CCC[C@H](C(=O)NCCc1ncc(CC)s1)N(C)C ZINC000162336789 367153326 /nfs/dbraw/zinc/15/33/26/367153326.db2.gz LPMYGDUIEMHPKF-GFCCVEGCSA-N 0 3 283.441 2.095 10 0 CEAEHN Cc1cc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)ccn1 ZINC000245593873 370847532 /nfs/dbraw/zinc/84/75/32/370847532.db2.gz LEBZVWGDEZKOBP-RISCZKNCSA-N 0 3 276.384 2.240 10 0 CEAEHN Cc1ccccc1C[C@@H](C)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170831935 367427454 /nfs/dbraw/zinc/42/74/54/367427454.db2.gz BXOHCNPIORTTLX-ZBFHGGJFSA-N 0 3 289.423 2.272 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCCc3occc32)C1 ZINC000170830509 367427573 /nfs/dbraw/zinc/42/75/73/367427573.db2.gz GELXDBKFDBJXQX-WCQYABFASA-N 0 3 277.368 2.003 10 0 CEAEHN C[C@H](Cc1ccccc1F)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170833331 367428070 /nfs/dbraw/zinc/42/80/70/367428070.db2.gz GMUQUNRFSJATGL-TZMCWYRMSA-N 0 3 293.386 2.102 10 0 CEAEHN COc1c(C)ccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1C ZINC000171076176 367471814 /nfs/dbraw/zinc/47/18/14/367471814.db2.gz RKEPRGQREMPSCC-CYBMUJFWSA-N 0 3 291.395 2.480 10 0 CEAEHN CC(C)c1nc(C(=O)N2CCN3CCC[C@@H]3C2)cs1 ZINC000171089933 367476417 /nfs/dbraw/zinc/47/64/17/367476417.db2.gz PPDVEIGRUWTWQE-LLVKDONJSA-N 0 3 279.409 2.187 10 0 CEAEHN Cc1ccc(CCC(=O)N2CC[C@H](N(C)C)C2)c(C)c1 ZINC000170857172 367432652 /nfs/dbraw/zinc/43/26/52/367432652.db2.gz XFCCGEICMZOPIS-INIZCTEOSA-N 0 3 274.408 2.399 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@H](N(C)C)C1)c1cccs1 ZINC000170863204 367434678 /nfs/dbraw/zinc/43/46/78/367434678.db2.gz LVSGNRJNXGVXQJ-QWRGUYRKSA-N 0 3 267.398 2.155 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccccc2Cl)C1 ZINC000170861728 367434811 /nfs/dbraw/zinc/43/48/11/367434811.db2.gz GUEZAYOJBAGAKX-GFCCVEGCSA-N 0 3 281.787 2.186 10 0 CEAEHN Cn1cc([C@H]2CCCN2CCOC(C)(C)C)cn1 ZINC000171410530 367537006 /nfs/dbraw/zinc/53/70/06/367537006.db2.gz ZKTFBZVIQSSVNK-CYBMUJFWSA-N 0 3 251.374 2.372 10 0 CEAEHN CCCCOC(=O)CCN1CCC[C@H]1c1cnn(C)c1 ZINC000171504676 367558178 /nfs/dbraw/zinc/55/81/78/367558178.db2.gz SLWBKCRVYFXPIJ-AWEZNQCLSA-N 0 3 279.384 2.290 10 0 CEAEHN COCCN(CCN(C)C)C(=O)N[C@@H](C)c1cccs1 ZINC000171587031 367573416 /nfs/dbraw/zinc/57/34/16/367573416.db2.gz ZHJAFIUEXDIOLY-LBPRGKRZSA-N 0 3 299.440 2.029 10 0 CEAEHN COC(C)(C)CNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000173562241 367922569 /nfs/dbraw/zinc/92/25/69/367922569.db2.gz JRZUKEFFGRZOEU-AWEZNQCLSA-N 0 3 293.411 2.014 10 0 CEAEHN COc1cncc(CN2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000343869011 368049748 /nfs/dbraw/zinc/04/97/48/368049748.db2.gz OVSCVWMBARFYGM-ZFWWWQNUSA-N 0 3 275.396 2.149 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1cccc(F)c1 ZINC000175358805 368128777 /nfs/dbraw/zinc/12/87/77/368128777.db2.gz ABZZZORYGHNWCS-OAHLLOKOSA-N 0 3 293.386 2.180 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1cccc(C)c1 ZINC000175357692 368128928 /nfs/dbraw/zinc/12/89/28/368128928.db2.gz NMGNEYYXBKIVBI-MRXNPFEDSA-N 0 3 289.423 2.350 10 0 CEAEHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1cc[nH]n1 ZINC000345108336 368155676 /nfs/dbraw/zinc/15/56/76/368155676.db2.gz SIQYEGGKHPENNU-ILXRZTDVSA-N 0 3 263.385 2.315 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc2c1CCCN2 ZINC000176975494 368255988 /nfs/dbraw/zinc/25/59/88/368255988.db2.gz HPEIYVFBRIPNTN-ZIAGYGMSSA-N 0 3 299.418 2.353 10 0 CEAEHN CCCC[C@H](COC)NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000177526427 368269638 /nfs/dbraw/zinc/26/96/38/368269638.db2.gz YIRUTFDWPBIICS-CABCVRRESA-N 0 3 299.459 2.317 10 0 CEAEHN CCCC[C@@H](COC)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000177526444 368269856 /nfs/dbraw/zinc/26/98/56/368269856.db2.gz YIRUTFDWPBIICS-LSDHHAIUSA-N 0 3 299.459 2.317 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN[C@H](CCCO)c1ccccc1 ZINC000179758811 368349910 /nfs/dbraw/zinc/34/99/10/368349910.db2.gz GOUCGRVZLHTVIQ-JKSUJKDBSA-N 0 3 295.423 2.266 10 0 CEAEHN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCCN1 ZINC000037042535 284034004 /nfs/dbraw/zinc/03/40/04/284034004.db2.gz NWHPTOOTIGTZEK-HBNTYKKESA-N 0 3 278.318 2.366 10 0 CEAEHN CC(C)OC(=O)CCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181747665 368490869 /nfs/dbraw/zinc/49/08/69/368490869.db2.gz FSFUSXOALFOHQF-LBPRGKRZSA-N 0 3 293.363 2.450 10 0 CEAEHN C[C@@H](NCC(=O)N(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000182185055 368532686 /nfs/dbraw/zinc/53/26/86/368532686.db2.gz DJQPWSUFVSWSAU-WDEREUQCSA-N 0 3 291.420 2.466 10 0 CEAEHN CCOc1ccccc1[C@H](C)NC[C@H]1CN(CC)CCO1 ZINC000163902844 541698332 /nfs/dbraw/zinc/69/83/32/541698332.db2.gz PUPBZGXJFQTVGN-GJZGRUSLSA-N 0 3 292.423 2.457 10 0 CEAEHN C[C@@H](NC[C@H](C)CS(C)(=O)=O)c1cccs1 ZINC000182546928 368566878 /nfs/dbraw/zinc/56/68/78/368566878.db2.gz OXNREWWAFPPOOR-VHSXEESVSA-N 0 3 261.412 2.079 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000246012692 370899837 /nfs/dbraw/zinc/89/98/37/370899837.db2.gz KUHITZIXFREUHV-ILXRZTDVSA-N 0 3 291.370 2.027 10 0 CEAEHN c1ccc(-c2nnc(CN3CCN4CCCC[C@H]4C3)o2)cc1 ZINC000246208628 370927575 /nfs/dbraw/zinc/92/75/75/370927575.db2.gz OOOJTVWMIKGPDL-HNNXBMFYSA-N 0 3 298.390 2.407 10 0 CEAEHN CC[C@H]1CN([C@@H]2C=CCCC2)CCN1CCOC ZINC000246215665 370929295 /nfs/dbraw/zinc/92/92/95/370929295.db2.gz CIEYKLRKRBGACY-LSDHHAIUSA-N 0 3 252.402 2.138 10 0 CEAEHN Cc1cccc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246103324 370909620 /nfs/dbraw/zinc/90/96/20/370909620.db2.gz HQPRMTHEZNQLRX-UKRRQHHQSA-N 0 3 296.436 2.002 10 0 CEAEHN O=C(CN1CCN2CCC[C@H]2C1)Nc1cccc(Cl)c1 ZINC000246307087 370945314 /nfs/dbraw/zinc/94/53/14/370945314.db2.gz JOGUAGZZKRAUCJ-AWEZNQCLSA-N 0 3 293.798 2.059 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](C)c1nc(C)cs1)N(C)C ZINC000186001194 368902669 /nfs/dbraw/zinc/90/26/69/368902669.db2.gz MRTVOJIOWBBRDP-ZYHUDNBSSA-N 0 3 283.441 2.402 10 0 CEAEHN C[C@@H](N[C@@H]1CCCS(=O)(=O)CC1)c1cccs1 ZINC000634949797 368983724 /nfs/dbraw/zinc/98/37/24/368983724.db2.gz AFCKHLDYIOANJP-GHMZBOCLSA-N 0 3 273.423 2.366 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2cccnc2)C12CCOCC2 ZINC000186197977 368936044 /nfs/dbraw/zinc/93/60/44/368936044.db2.gz JGUDEFFBXOQVQZ-LSDHHAIUSA-N 0 3 276.380 2.145 10 0 CEAEHN O=S1(=O)CCC[C@H](N[C@@H]2CCOc3ccccc32)CC1 ZINC000634950328 368984594 /nfs/dbraw/zinc/98/45/94/368984594.db2.gz PHWZZCILBFDUID-GXTWGEPZSA-N 0 3 295.404 2.067 10 0 CEAEHN C[C@@](O)(CN1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000246433610 370960142 /nfs/dbraw/zinc/96/01/42/370960142.db2.gz BCHLWYDQBSWDKH-QZTJIDSGSA-N 0 3 298.386 2.442 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1cccc(N(C)C)c1 ZINC000195195894 370112376 /nfs/dbraw/zinc/11/23/76/370112376.db2.gz MVLCOHFWTMVMHO-KRWDZBQOSA-N 0 3 294.439 2.362 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000637900408 370157461 /nfs/dbraw/zinc/15/74/61/370157461.db2.gz BCIMHJZUZNGYSR-OPRDCNLKSA-N 0 3 266.307 2.222 10 0 CEAEHN Cn1nc(CN[C@H]2CCCC[C@@H]2CO)c2ccccc21 ZINC000219005555 370215353 /nfs/dbraw/zinc/21/53/53/370215353.db2.gz FHXCRSDTEQNOHI-OCCSQVGLSA-N 0 3 273.380 2.214 10 0 CEAEHN CC(C)C[C@H]1CN(c2cnc3ccccc3n2)CCN1 ZINC000217807583 370200972 /nfs/dbraw/zinc/20/09/72/370200972.db2.gz ATEKRHPHCXVEPN-ZDUSSCGKSA-N 0 3 270.380 2.454 10 0 CEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1cncc(F)c1 ZINC000223863285 370271987 /nfs/dbraw/zinc/27/19/87/370271987.db2.gz QWJPZJNYMYIZFR-MISXGVKJSA-N 0 3 252.333 2.422 10 0 CEAEHN CCC(=O)CCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000232872012 370513783 /nfs/dbraw/zinc/51/37/83/370513783.db2.gz SAXFPVRYSANSES-KBPBESRZSA-N 0 3 252.402 2.304 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC[C@@]2(C)CCCS2)C1 ZINC000246672884 370992899 /nfs/dbraw/zinc/99/28/99/370992899.db2.gz QMRSLLARQDSMTE-GXTWGEPZSA-N 0 3 285.457 2.056 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCN1CCCCC1 ZINC000247031530 371051053 /nfs/dbraw/zinc/05/10/53/371051053.db2.gz PIEVESYZXHHKAL-XHSDSOJGSA-N 0 3 294.439 2.278 10 0 CEAEHN CCCCN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247049640 371054601 /nfs/dbraw/zinc/05/46/01/371054601.db2.gz IGZYJPYGZCUXCK-CHWSQXEVSA-N 0 3 255.406 2.157 10 0 CEAEHN CCC[C@H](C(=O)OCC)N1CCC[C@H]1Cn1ccnc1C ZINC000247153365 371071589 /nfs/dbraw/zinc/07/15/89/371071589.db2.gz UJUDRVBBYNQFRJ-LSDHHAIUSA-N 0 3 293.411 2.388 10 0 CEAEHN CSc1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)ccn1 ZINC000247189830 371073696 /nfs/dbraw/zinc/07/36/96/371073696.db2.gz LGGHUOGJHMNBHY-YPMHNXCESA-N 0 3 291.420 2.112 10 0 CEAEHN COc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)ccc1C ZINC000247386510 371101241 /nfs/dbraw/zinc/10/12/41/371101241.db2.gz QBZMHKOZSCVYJZ-HIFRSBDPSA-N 0 3 290.407 2.462 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC000247506869 371118648 /nfs/dbraw/zinc/11/86/48/371118648.db2.gz VJWWBUHZHBHBOA-IHRRRGAJSA-N 0 3 252.402 2.413 10 0 CEAEHN Cc1ncsc1CCN1CCN2CCCC[C@H]2C1 ZINC000248332719 371175271 /nfs/dbraw/zinc/17/52/71/371175271.db2.gz FMJDDPIDLPOYMI-ZDUSSCGKSA-N 0 3 265.426 2.164 10 0 CEAEHN O[C@H](CCc1ccccc1)CN1CCN2CCCC[C@H]2C1 ZINC000248599399 371219884 /nfs/dbraw/zinc/21/98/84/371219884.db2.gz UPVPUUNTPLKWQS-ZWKOTPCHSA-N 0 3 288.435 2.150 10 0 CEAEHN CSC[C@H](O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249124807 371297652 /nfs/dbraw/zinc/29/76/52/371297652.db2.gz BBIZKCIDNMAFDR-VXGBXAGGSA-N 0 3 286.466 2.355 10 0 CEAEHN OC[C@@H]1CN(C[C@@H]2CCC=CO2)C[C@H]1c1ccsc1 ZINC000249060336 371289221 /nfs/dbraw/zinc/28/92/21/371289221.db2.gz ZUZPBWLGHMNCSJ-KKUMJFAQSA-N 0 3 279.405 2.449 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cnn(C)c2)C12CCOCC2 ZINC000248973197 371276463 /nfs/dbraw/zinc/27/64/63/371276463.db2.gz HAHVAGZKCQCXPC-BPLDGKMQSA-N 0 3 293.411 2.045 10 0 CEAEHN CC(C)Cc1nsc(N2CCN3CCC[C@H]3C2)n1 ZINC000249270934 371309377 /nfs/dbraw/zinc/30/93/77/371309377.db2.gz BBEAJXHFLLXEBX-NSHDSACASA-N 0 3 266.414 2.021 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCN2CC=CCC2)c1C ZINC000359062665 371323113 /nfs/dbraw/zinc/32/31/13/371323113.db2.gz ZVBDYSNZAQDHCP-CYBMUJFWSA-N 0 3 276.428 2.432 10 0 CEAEHN C[C@H](Cc1cccc(F)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000249826649 371366011 /nfs/dbraw/zinc/36/60/11/371366011.db2.gz KIZGZGPOTCLALI-CJNGLKHVSA-N 0 3 290.382 2.311 10 0 CEAEHN C[C@H](c1cnccn1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249587033 371342427 /nfs/dbraw/zinc/34/24/27/371342427.db2.gz UEVHTAGCAXMWOH-MRVWCRGKSA-N 0 3 289.404 2.307 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCc1ccncc1 ZINC000252661785 371463324 /nfs/dbraw/zinc/46/33/24/371463324.db2.gz PLDZFUSPCMKLGZ-ZBFHGGJFSA-N 0 3 259.397 2.183 10 0 CEAEHN Cc1c2c(sc1NC(=O)C1(N)CCOCC1)CCCC2 ZINC000261871183 371756520 /nfs/dbraw/zinc/75/65/20/371756520.db2.gz OBVJPQYGRBRFNN-UHFFFAOYSA-N 0 3 294.420 2.382 10 0 CEAEHN Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261928271 371775026 /nfs/dbraw/zinc/77/50/26/371775026.db2.gz ZPHNMGJFOWPDKZ-CJNGLKHVSA-N 0 3 290.407 2.235 10 0 CEAEHN Cc1cc(C)cc([C@H](C)NC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261928273 371775704 /nfs/dbraw/zinc/77/57/04/371775704.db2.gz ZPHNMGJFOWPDKZ-XJKSGUPXSA-N 0 3 290.407 2.235 10 0 CEAEHN CCC[C@@](C)(N)C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000262607577 371884282 /nfs/dbraw/zinc/88/42/82/371884282.db2.gz CBTDYSGYWKUDFP-DOTOQJQBSA-N 0 3 292.423 2.394 10 0 CEAEHN CCC[C@](C)(N)C(=O)NCc1nc(-c2ccccc2)c[nH]1 ZINC000262704335 371898878 /nfs/dbraw/zinc/89/88/78/371898878.db2.gz LAKOXXIGYDGOIE-INIZCTEOSA-N 0 3 286.379 2.210 10 0 CEAEHN CCc1ccc([C@H](C)NCCn2cncn2)s1 ZINC000268850274 372255533 /nfs/dbraw/zinc/25/55/33/372255533.db2.gz SKLODUVDZNHSBB-JTQLQIEISA-N 0 3 250.371 2.253 10 0 CEAEHN CCC1CCC(NC(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000644017662 373342502 /nfs/dbraw/zinc/34/25/02/373342502.db2.gz FITAFRBSPPQOLH-HTAVTVPLSA-N 0 3 274.355 2.316 10 0 CEAEHN Cc1c(CN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cnn1C ZINC000381101469 375169101 /nfs/dbraw/zinc/16/91/01/375169101.db2.gz ZPPBYEPIHPORCZ-GHMZBOCLSA-N 0 3 296.415 2.120 10 0 CEAEHN C[C@H]1[C@@H](O)CCCN1CCOc1ccccc1F ZINC000384960107 375222220 /nfs/dbraw/zinc/22/22/20/375222220.db2.gz WNRJNCSIZLZCPS-AAEUAGOBSA-N 0 3 253.317 2.050 10 0 CEAEHN CCN1CC[C@H](NCc2cc(F)ccc2OC)C1 ZINC000389316997 375302242 /nfs/dbraw/zinc/30/22/42/375302242.db2.gz GSGZRQLTBSKMRR-ZDUSSCGKSA-N 0 3 252.333 2.018 10 0 CEAEHN Cc1cc(CN2C[C@@H]3CCCCN3C[C@@H]2C)ccn1 ZINC000391235468 375316581 /nfs/dbraw/zinc/31/65/81/375316581.db2.gz CEBVAOJPOKENQS-HOCLYGCPSA-N 0 3 259.397 2.449 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1ccc(F)cc1 ZINC000282208550 375430204 /nfs/dbraw/zinc/43/02/04/375430204.db2.gz DDMQESCONDHJRO-OPQQBVKSSA-N 0 3 250.317 2.143 10 0 CEAEHN Cc1ccc(CN2C[C@@H]3CCCCN3C[C@H]2C)nc1 ZINC000334322108 206367970 /nfs/dbraw/zinc/36/79/70/206367970.db2.gz IKXWPBCFWORXBS-ZBFHGGJFSA-N 0 3 259.397 2.449 10 0 CEAEHN OCC[C@@H]1CCN(Cc2cnc3ccccc3c2)C1 ZINC000311276159 376660598 /nfs/dbraw/zinc/66/05/98/376660598.db2.gz HGUHIGCVOFQFIH-ZDUSSCGKSA-N 0 3 256.349 2.439 10 0 CEAEHN CO[C@@H]1C[C@H](CO)N(Cc2ccc(C(C)C)cc2)C1 ZINC000311978051 376698543 /nfs/dbraw/zinc/69/85/43/376698543.db2.gz QFKADILBDKBJQZ-HZPDHXFCSA-N 0 3 263.381 2.392 10 0 CEAEHN Cc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)ncn1 ZINC000328630596 376866857 /nfs/dbraw/zinc/86/68/57/376866857.db2.gz JOYYUHZIVNTZPS-MRXNPFEDSA-N 0 3 297.406 2.138 10 0 CEAEHN CC(C)N1CCN(CCN(C)Cc2ccc(F)cc2)CC1 ZINC000177256305 542245034 /nfs/dbraw/zinc/24/50/34/542245034.db2.gz OTHQIJGOGXZQIZ-UHFFFAOYSA-N 0 3 293.430 2.284 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cnn(C(C)(C)C)c2)C1 ZINC000180941451 542267300 /nfs/dbraw/zinc/26/73/00/542267300.db2.gz AOPSZNHOYSQGBE-GFCCVEGCSA-N 0 3 293.415 2.244 10 0 CEAEHN CNc1ccc(Cl)cc1C(=O)NC1CCN(C)CC1 ZINC000050749612 522627254 /nfs/dbraw/zinc/62/72/54/522627254.db2.gz LBRHJVFTCUMGNF-UHFFFAOYSA-N 0 3 281.787 2.206 10 0 CEAEHN c1ncn(CCN[C@@H]2CCSc3ccccc32)n1 ZINC000268824638 190438067 /nfs/dbraw/zinc/43/80/67/190438067.db2.gz MTFXVBYSZSTHJJ-GFCCVEGCSA-N 0 3 260.366 2.105 10 0 CEAEHN COc1cccc([C@@H](N)CSc2nccn2C)c1 ZINC000081840598 184597046 /nfs/dbraw/zinc/59/70/46/184597046.db2.gz GHNAROGJMKJWOA-LBPRGKRZSA-N 0 3 263.366 2.221 10 0 CEAEHN Cc1sc(CN)cc1S(=O)(=O)N1CCCCCC1 ZINC000088913520 184614331 /nfs/dbraw/zinc/61/43/31/184614331.db2.gz SDFVSBNKHNGKIC-UHFFFAOYSA-N 0 3 288.438 2.080 10 0 CEAEHN CC[C@H](C)CN(C)S(=O)(=O)c1cccc(CNC)c1C ZINC000088953688 184615670 /nfs/dbraw/zinc/61/56/70/184615670.db2.gz YFDWSEPLNQYRLA-LBPRGKRZSA-N 0 3 298.452 2.381 10 0 CEAEHN O=C1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081908388 177890744 /nfs/dbraw/zinc/89/07/44/177890744.db2.gz QHIBOQHHBOZFDS-LLVKDONJSA-N 0 3 276.716 2.374 10 0 CEAEHN CC[C@@H](N)[C@@H](C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081921733 177895178 /nfs/dbraw/zinc/89/51/78/177895178.db2.gz JYCPCVVODLJDIQ-DGCLKSJQSA-N 0 3 255.383 2.203 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1Sc1cnccn1 ZINC000081885742 177877299 /nfs/dbraw/zinc/87/72/99/177877299.db2.gz CUIQCSOANQWWRC-OCCSQVGLSA-N 0 3 273.361 2.290 10 0 CEAEHN NC(=O)[C@@]1(N)CCC[C@H]1CCSc1ccccc1 ZINC000093628552 184698595 /nfs/dbraw/zinc/69/85/95/184698595.db2.gz ZQWAVNLKXMYYDY-SMDDNHRTSA-N 0 3 264.394 2.152 10 0 CEAEHN CN[C@H](c1ccsc1)[C@@H]1CN(C(C)C)CCO1 ZINC000093926832 184744260 /nfs/dbraw/zinc/74/42/60/184744260.db2.gz YJILJWBAGGPFLS-QWHCGFSZSA-N 0 3 254.399 2.118 10 0 CEAEHN CN[C@H](c1c(OC)cc(OC)cc1OC)[C@H]1CCO[C@@H]1C ZINC000094176128 184759812 /nfs/dbraw/zinc/75/98/12/184759812.db2.gz IMZASUIQSOIKSP-XAGWURHQSA-N 0 3 295.379 2.398 10 0 CEAEHN CN[C@@H](C)c1cnn([C@H]2CCOC3(CCOCC3)C2)c1 ZINC000094412624 184794314 /nfs/dbraw/zinc/79/43/14/184794314.db2.gz PIXASXDGACUEGD-JSGCOSHPSA-N 0 3 279.384 2.064 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2N)c(F)c1 ZINC000094925432 184895186 /nfs/dbraw/zinc/89/51/86/184895186.db2.gz AMCNVOWHOZFHGN-JKSUJKDBSA-N 0 3 284.334 2.489 10 0 CEAEHN CCN[C@H](c1ccc(Cl)s1)[C@H]1CN(C)CCO1 ZINC000094935948 184896472 /nfs/dbraw/zinc/89/64/72/184896472.db2.gz NNTHCKXFVHTQHH-SKDRFNHKSA-N 0 3 274.817 2.383 10 0 CEAEHN Cc1cc2ncc([C@H](C)N[C@@H]3CCO[C@H]3C)c(C)n2n1 ZINC000250918612 131127235 /nfs/dbraw/zinc/12/72/35/131127235.db2.gz KKFIFJUKSBCVFG-VHRBIJSZSA-N 0 3 274.368 2.174 10 0 CEAEHN NCc1cccc(N2CCC(C(F)(F)F)CC2)n1 ZINC000088416218 135054322 /nfs/dbraw/zinc/05/43/22/135054322.db2.gz CBCXORBBIBLMJG-UHFFFAOYSA-N 0 3 259.275 2.319 10 0 CEAEHN N=C(N)c1cc(N2CCC(C(F)(F)F)CC2)ccn1 ZINC000088421455 135054898 /nfs/dbraw/zinc/05/48/98/135054898.db2.gz GCXFMBFVVBMZLC-UHFFFAOYSA-N 0 3 272.274 2.144 10 0 CEAEHN Cc1cncc(C(=O)N2CC[C@H](N)c3ccccc32)c1 ZINC000088448536 135054914 /nfs/dbraw/zinc/05/49/14/135054914.db2.gz FTIMOQWPCYSERO-AWEZNQCLSA-N 0 3 267.332 2.440 10 0 CEAEHN C[C@@H]1Cc2ccccc2N(CC[C@@H]2CNCCO2)C1 ZINC000091314249 135067731 /nfs/dbraw/zinc/06/77/31/135067731.db2.gz XAFVGRSBTHZSNU-UKRRQHHQSA-N 0 3 260.381 2.064 10 0 CEAEHN NCc1c(F)cccc1N1CC(=O)Nc2ccccc21 ZINC000093395200 135080342 /nfs/dbraw/zinc/08/03/42/135080342.db2.gz LKQFIMVESQXDCE-UHFFFAOYSA-N 0 3 271.295 2.375 10 0 CEAEHN CC[C@@](C)(N)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000094231693 135084476 /nfs/dbraw/zinc/08/44/76/135084476.db2.gz XDLLVDFWCKZKAV-OAHLLOKOSA-N 0 3 295.814 2.116 10 0 CEAEHN C[C@@H]1CN(c2nc(C(F)(F)F)ccc2CN)C[C@H](C)O1 ZINC000094334029 135085915 /nfs/dbraw/zinc/08/59/15/135085915.db2.gz FCOBLJTVGIWLJE-DTORHVGOSA-N 0 3 289.301 2.173 10 0 CEAEHN C[C@H](O)c1ccc(N2CCN3CCCC[C@@H]3C2)cc1O ZINC000094439827 135087626 /nfs/dbraw/zinc/08/76/26/135087626.db2.gz YUHGEIZGAMBQRC-GXTWGEPZSA-N 0 3 276.380 2.120 10 0 CEAEHN Nc1c2cccnc2ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094438972 135088011 /nfs/dbraw/zinc/08/80/11/135088011.db2.gz AOJISQUCIMUCFF-CYBMUJFWSA-N 0 3 282.391 2.492 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc2c1CCCN2 ZINC000246438868 394515531 /nfs/dbraw/zinc/51/55/31/394515531.db2.gz HPEIYVFBRIPNTN-KBPBESRZSA-N 0 3 299.418 2.353 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(F)c2)C1 ZINC000048769240 394528457 /nfs/dbraw/zinc/52/84/57/394528457.db2.gz OMKNDBFZHZOYKK-ZDUSSCGKSA-N 0 3 265.332 2.432 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H]2CCc3ccc(F)cc32)C[C@@H]1C ZINC000248343241 394538378 /nfs/dbraw/zinc/53/83/78/394538378.db2.gz KAZZPOBBZYJRSV-GDZNZVCISA-N 0 3 292.398 2.200 10 0 CEAEHN COc1cc(F)cc(CNCCn2cc(C)cn2)c1 ZINC000312262894 394540629 /nfs/dbraw/zinc/54/06/29/394540629.db2.gz AOZWNTKSCOMXNQ-UHFFFAOYSA-N 0 3 263.316 2.129 10 0 CEAEHN CC[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCO1 ZINC000248605000 394543978 /nfs/dbraw/zinc/54/39/78/394543978.db2.gz VFHSZNLMXIVFRP-YJNKXOJESA-N 0 3 282.428 2.037 10 0 CEAEHN CC(C)(C)[C@H](O)CNCC(=O)Nc1ccc(Cl)cc1 ZINC000324535619 394549973 /nfs/dbraw/zinc/54/99/73/394549973.db2.gz QLBQNYSHWGYHRL-GFCCVEGCSA-N 0 3 284.787 2.275 10 0 CEAEHN CCC1(CNC(=O)N[C@@H](CC(C)C)CN(C)C)CC1 ZINC000078896802 394628098 /nfs/dbraw/zinc/62/80/98/394628098.db2.gz CBLWZVLVODWCTL-ZDUSSCGKSA-N 0 3 269.433 2.452 10 0 CEAEHN CCC(C)(C)NC(=O)CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124616848 394838998 /nfs/dbraw/zinc/83/89/98/394838998.db2.gz ZOUIYFIHGISFEL-ZNMIVQPWSA-N 0 3 296.455 2.307 10 0 CEAEHN CCCCOC(=O)CCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152303892 394992666 /nfs/dbraw/zinc/99/26/66/394992666.db2.gz QVVBGGQMTACJJO-OAHLLOKOSA-N 0 3 292.379 2.268 10 0 CEAEHN CCOCCN1CCN(CCCSC)C[C@H]1CC ZINC000173680996 395115875 /nfs/dbraw/zinc/11/58/75/395115875.db2.gz QBEUVAOQEBQIKK-CQSZACIVSA-N 0 3 274.474 2.172 10 0 CEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@H](CCOC)C(C)C ZINC000182231103 395237190 /nfs/dbraw/zinc/23/71/90/395237190.db2.gz IPVJTVLBMHGUKI-OLZOCXBDSA-N 0 3 280.416 2.326 10 0 CEAEHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccccn1 ZINC000179473057 395193946 /nfs/dbraw/zinc/19/39/46/395193946.db2.gz IYEQBJWXPNYVEJ-XZJROXQQSA-N 0 3 254.333 2.391 10 0 CEAEHN Cc1cc(CN2C[C@H]3CCCN3C[C@H]2C)sn1 ZINC000404316405 395280978 /nfs/dbraw/zinc/28/09/78/395280978.db2.gz OPRRNQBCYYBLAI-VXGBXAGGSA-N 0 3 251.399 2.120 10 0 CEAEHN CC[C@@H]1[C@@H](C)CCN1Cc1c(C)nn(C)c1OC ZINC000187579359 395302098 /nfs/dbraw/zinc/30/20/98/395302098.db2.gz JPMVHLCIWGGIPZ-GXFFZTMASA-N 0 3 251.374 2.358 10 0 CEAEHN CCOCCCNC(=O)[C@H](C)N[C@@H](C)c1cccs1 ZINC000192588079 395387559 /nfs/dbraw/zinc/38/75/59/395387559.db2.gz AMPQHLOZDJAMLU-RYUDHWBXSA-N 0 3 284.425 2.330 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)CCc1ncc(C)s1 ZINC000195201018 395462000 /nfs/dbraw/zinc/46/20/00/395462000.db2.gz IPDVJQSPKCRFNH-ZDUSSCGKSA-N 0 3 286.441 2.103 10 0 CEAEHN O=C(c1cccc2c1CCC2)N1CCN2CCC[C@@H]2C1 ZINC000195337988 395464388 /nfs/dbraw/zinc/46/43/88/395464388.db2.gz RQUOLUSHHGKDBM-CQSZACIVSA-N 0 3 270.376 2.096 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000037046185 400115216 /nfs/dbraw/zinc/11/52/16/400115216.db2.gz FJBMUUXJUCBYRU-RISCZKNCSA-N 0 3 264.369 2.390 10 0 CEAEHN C[C@@H]1[C@@H](Nc2nn(C)cc2N)CCN1Cc1ccccc1 ZINC000307727982 400340375 /nfs/dbraw/zinc/34/03/75/400340375.db2.gz FOSLSZCGZQFPKU-DOMZBBRYSA-N 0 3 285.395 2.077 10 0 CEAEHN O=C1O[C@H](CN2CCC(c3cc[nH]n3)CC2)CC12CCC2 ZINC000191978724 153199768 /nfs/dbraw/zinc/19/97/68/153199768.db2.gz KHLMNJHMWXVVEH-ZDUSSCGKSA-N 0 3 289.379 2.075 10 0 CEAEHN CCOc1ccccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195314959 153281479 /nfs/dbraw/zinc/28/14/79/153281479.db2.gz UPZBIHAIYMPXRM-CYBMUJFWSA-N 0 3 274.364 2.006 10 0 CEAEHN O=C(c1cc2c(cccc2F)[nH]1)N1CCN2CCC[C@@H]2C1 ZINC000195327880 153282495 /nfs/dbraw/zinc/28/24/95/153282495.db2.gz SUKUVFIQBSCVBT-LLVKDONJSA-N 0 3 287.338 2.227 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(CCOC(C)(C)C)C1 ZINC000195520316 153292126 /nfs/dbraw/zinc/29/21/26/153292126.db2.gz FTRXAEWCZHROIF-ZDUSSCGKSA-N 0 3 280.416 2.293 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCC[C@H](C)O)c1C ZINC000228028470 153353698 /nfs/dbraw/zinc/35/36/98/153353698.db2.gz IBTJYUKCKHCEJF-WDEREUQCSA-N 0 3 253.390 2.331 10 0 CEAEHN Cc1ccc(/C=C/c2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263149363 154024165 /nfs/dbraw/zinc/02/41/65/154024165.db2.gz CYXFZLNGERPPBC-HSBSLETESA-N 0 3 284.363 2.125 10 0 CEAEHN C/C(=C/c1nc([C@H]2CNCCN2C)no1)c1ccccc1 ZINC000263294197 154051809 /nfs/dbraw/zinc/05/18/09/154051809.db2.gz WCIDARJBKVKYOD-GAJOTYCWSA-N 0 3 284.363 2.206 10 0 CEAEHN CC[C@@H]1CN(c2ccnc(Cl)c2)CCN1C[C@H](C)O ZINC000268146069 154143209 /nfs/dbraw/zinc/14/32/09/154143209.db2.gz DLMYRKGHPNCTPW-NWDGAFQWSA-N 0 3 283.803 2.016 10 0 CEAEHN CC(C)(C)CCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000172510878 162412243 /nfs/dbraw/zinc/41/22/43/162412243.db2.gz OGULKUIYABXXLD-CYBMUJFWSA-N 0 3 267.417 2.302 10 0 CEAEHN CCN(C)c1ccc(CN2CCN3CCCC[C@H]3C2)cn1 ZINC000248826391 162514029 /nfs/dbraw/zinc/51/40/29/162514029.db2.gz GYGAHCNBMVYKLQ-INIZCTEOSA-N 0 3 288.439 2.208 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1cccc(O)c1)c1ccccc1 ZINC000176127669 165155237 /nfs/dbraw/zinc/15/52/37/165155237.db2.gz KMLVWCAYIJOEIX-MRXNPFEDSA-N 0 3 284.359 2.425 10 0 CEAEHN Cc1ccc(CN(C)C(=O)C2(N)CCCC2)s1 ZINC000178109697 165224405 /nfs/dbraw/zinc/22/44/05/165224405.db2.gz KIGUZCSOMUEEDQ-UHFFFAOYSA-N 0 3 252.383 2.286 10 0 CEAEHN COc1ccc([C@@H](N)Cn2nc(C)cc2C)cc1OC ZINC000011849972 170447290 /nfs/dbraw/zinc/44/72/90/170447290.db2.gz AMNMBAHSOIWDFO-ZDUSSCGKSA-N 0 3 275.352 2.217 10 0 CEAEHN Cc1ccccc1[C@H](N)CN1C(=O)c2ccccc2C1=O ZINC000019394040 170782243 /nfs/dbraw/zinc/78/22/43/170782243.db2.gz DHKWMNLLFCIXKZ-OAHLLOKOSA-N 0 3 280.327 2.291 10 0 CEAEHN O=C(CCN[C@@H]1CCc2ccccc21)N1CCCC1 ZINC000020127242 171012321 /nfs/dbraw/zinc/01/23/21/171012321.db2.gz BIRRVOKHGASPHF-OAHLLOKOSA-N 0 3 258.365 2.276 10 0 CEAEHN C=COCCCNCc1cccc(OC)c1OC ZINC000020197540 171062079 /nfs/dbraw/zinc/06/20/79/171062079.db2.gz XTSRQWMRFDTWHH-UHFFFAOYSA-N 0 3 251.326 2.344 10 0 CEAEHN c1ccc2nc(CN[C@@H]3CN4CCC3CC4)ccc2c1 ZINC000020246358 171099143 /nfs/dbraw/zinc/09/91/43/171099143.db2.gz HJZYMWZRQAZHDV-QGZVFWFLSA-N 0 3 267.376 2.419 10 0 CEAEHN NC[C@H](c1ccc(F)cc1F)N1CCSCC1 ZINC000020257061 171111530 /nfs/dbraw/zinc/11/15/30/171111530.db2.gz RFGRDFBDWRDTGJ-GFCCVEGCSA-N 0 3 258.337 2.013 10 0 CEAEHN Cn1cc([C@@H](N)c2ccc(C(F)(F)F)cc2)cn1 ZINC000020476761 171220905 /nfs/dbraw/zinc/22/09/05/171220905.db2.gz OECSJZKZQVNBEK-NSHDSACASA-N 0 3 255.243 2.487 10 0 CEAEHN CC(C)(C)OCCC(=O)Nc1ccccc1CN ZINC000020508654 171229549 /nfs/dbraw/zinc/22/95/49/171229549.db2.gz YUDWTVWPUCLDNQ-UHFFFAOYSA-N 0 3 250.342 2.289 10 0 CEAEHN C[C@H](C(=O)Nc1cccc(N)c1)N1CCCCCC1 ZINC000022154295 171361505 /nfs/dbraw/zinc/36/15/05/171361505.db2.gz KZPZNXXUCNCUPL-GFCCVEGCSA-N 0 3 261.369 2.472 10 0 CEAEHN NCc1cccc(NC(=O)COc2ccccc2)c1 ZINC000022162550 171364916 /nfs/dbraw/zinc/36/49/16/171364916.db2.gz YBMFFBLDFSBGHW-UHFFFAOYSA-N 0 3 256.305 2.163 10 0 CEAEHN CCOc1ccc([C@H](N)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022566255 171391835 /nfs/dbraw/zinc/39/18/35/171391835.db2.gz LPXFXYVTPRAHRH-DVOMOZLQSA-N 0 3 278.396 2.194 10 0 CEAEHN COC(=O)c1cc(CN[C@@H](C)[C@H]2CCCO2)oc1C ZINC000035273873 172094630 /nfs/dbraw/zinc/09/46/30/172094630.db2.gz XEKFTMGGTZHHSF-TVQRCGJNSA-N 0 3 267.325 2.032 10 0 CEAEHN CNCc1c(N2CCC(C)CC2)nc2ccccn21 ZINC000035433838 172201636 /nfs/dbraw/zinc/20/16/36/172201636.db2.gz PAIIJTNNILKZHV-UHFFFAOYSA-N 0 3 258.369 2.290 10 0 CEAEHN CN[C@@H](c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000035488182 172223285 /nfs/dbraw/zinc/22/32/85/172223285.db2.gz AZCVBBZXPDSLEZ-CYBMUJFWSA-N 0 3 281.402 2.460 10 0 CEAEHN CCN[C@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@@H]1C ZINC000035760908 172399241 /nfs/dbraw/zinc/39/92/41/172399241.db2.gz CFGLDJRGASSOOT-QPUJVOFHSA-N 0 3 273.785 2.414 10 0 CEAEHN CCN(CC)CCN[C@H]1CCOc2ccc(OC)cc21 ZINC000037202082 173026287 /nfs/dbraw/zinc/02/62/87/173026287.db2.gz ZTAIQBYTNGDKIN-HNNXBMFYSA-N 0 3 278.396 2.450 10 0 CEAEHN CC(C)(C)n1cc(CN[C@H]2CCC[C@H](O)C2)cn1 ZINC000037321421 173121750 /nfs/dbraw/zinc/12/17/50/173121750.db2.gz RBEANCZWTVALDY-STQMWFEESA-N 0 3 251.374 2.031 10 0 CEAEHN CCN[C@H](C)c1ccccc1OCCS(=O)(=O)CC ZINC000037370283 173159209 /nfs/dbraw/zinc/15/92/09/173159209.db2.gz NHFQAVDRZOSHPK-GFCCVEGCSA-N 0 3 285.409 2.171 10 0 CEAEHN N[C@@H](c1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000037371363 173160729 /nfs/dbraw/zinc/16/07/29/173160729.db2.gz VBFDVBCUSDICBI-HNNXBMFYSA-N 0 3 254.289 2.066 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000037386490 173170148 /nfs/dbraw/zinc/17/01/48/173170148.db2.gz ALXLTMWEWCCOHS-JTQLQIEISA-N 0 3 296.367 2.039 10 0 CEAEHN CCOc1ccc(NC(=O)CN[C@@H](C)CC)cc1 ZINC000037386434 173170432 /nfs/dbraw/zinc/17/04/32/173170432.db2.gz JDDWNZQLHGDRNB-NSHDSACASA-N 0 3 250.342 2.412 10 0 CEAEHN CCn1c2ccc(C)cc2nc1[C@@H]1C[C@@H](OC)CN1 ZINC000037438198 173208839 /nfs/dbraw/zinc/20/88/39/173208839.db2.gz ZGOXRROJKBDULC-YPMHNXCESA-N 0 3 259.353 2.414 10 0 CEAEHN Oc1ccc2c(c1)OC[C@@H]2NC[C@@H]1Cc2ccccc2O1 ZINC000038009475 173975131 /nfs/dbraw/zinc/97/51/31/173975131.db2.gz VZUAIHGZPOZLCG-ZFWWWQNUSA-N 0 3 283.327 2.419 10 0 CEAEHN C[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCCCN1 ZINC000038100816 174115365 /nfs/dbraw/zinc/11/53/65/174115365.db2.gz SANQQWAREVLCPH-CMPLNLGQSA-N 0 3 264.394 2.336 10 0 CEAEHN COc1ccc([C@@H](CO)NC(C)C)cc1Br ZINC000038115887 174126006 /nfs/dbraw/zinc/12/60/06/174126006.db2.gz HQSJMXRQKBZDGB-LLVKDONJSA-N 0 3 288.185 2.489 10 0 CEAEHN COc1cc([C@@H](CN)N2CCCCC2)cc(OC)c1OC ZINC000038809057 174155926 /nfs/dbraw/zinc/15/59/26/174155926.db2.gz ZGJLTMYKSKVVTB-CYBMUJFWSA-N 0 3 294.395 2.198 10 0 CEAEHN CC1CCN([C@H](CN)c2ccc3c(c2)OCO3)CC1 ZINC000039174830 174165006 /nfs/dbraw/zinc/16/50/06/174165006.db2.gz PUHNVNHYGXSXBN-CYBMUJFWSA-N 0 3 262.353 2.147 10 0 CEAEHN N[C@H]1c2cc(Br)ccc2CCC[C@@H]1O ZINC000039941520 174175603 /nfs/dbraw/zinc/17/56/03/174175603.db2.gz BZTCUTHVQHKBPV-QWRGUYRKSA-N 0 3 256.143 2.146 10 0 CEAEHN CCN1CCC[C@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000040502117 174297896 /nfs/dbraw/zinc/29/78/96/174297896.db2.gz JIOACAMOJBOGLE-INIZCTEOSA-N 0 3 284.407 2.446 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040501623 174298036 /nfs/dbraw/zinc/29/80/36/174298036.db2.gz FRYAFLFGOGEMAM-LLVKDONJSA-N 0 3 281.787 2.136 10 0 CEAEHN CCN1CCC[C@@H](NCc2ccc(OC)cc2OC)C1 ZINC000040502016 174298402 /nfs/dbraw/zinc/29/84/02/174298402.db2.gz PNFQQTSYVMUYHB-CQSZACIVSA-N 0 3 278.396 2.278 10 0 CEAEHN CCN1CCC[C@@H](Nc2cc3ccccc3c(=O)[nH]2)C1 ZINC000040503116 174299999 /nfs/dbraw/zinc/29/99/99/174299999.db2.gz VJTHTJMKJLYXJK-CYBMUJFWSA-N 0 3 271.364 2.424 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCCN3)C1 ZINC000040503632 174300826 /nfs/dbraw/zinc/30/08/26/174300826.db2.gz HIBNGKGVVDNGLZ-OAHLLOKOSA-N 0 3 287.407 2.259 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)[C@H]2CCSC2)n1 ZINC000040509427 174303577 /nfs/dbraw/zinc/30/35/77/174303577.db2.gz DDVBLPKUNTVBEQ-NSHDSACASA-N 0 3 251.399 2.099 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519009 174308581 /nfs/dbraw/zinc/30/85/81/174308581.db2.gz BFHLVTYFJPKOKD-ZOFUNIGCSA-N 0 3 269.414 2.311 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2cccc(C(C)C)c2)C1 ZINC000040631288 174358320 /nfs/dbraw/zinc/35/83/20/174358320.db2.gz QUQFNSIAIINQRD-KGLIPLIRSA-N 0 3 262.353 2.125 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)[C@H]1C[C@H](OC)CN1 ZINC000040634287 174360312 /nfs/dbraw/zinc/36/03/12/174360312.db2.gz RLHFVSPWWPZNFU-GXTWGEPZSA-N 0 3 292.379 2.099 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000040634358 174360400 /nfs/dbraw/zinc/36/04/00/174360400.db2.gz LJRLCFZGAPVNCR-HIFRSBDPSA-N 0 3 292.379 2.098 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@@H]1C[C@@H](OC)CN1 ZINC000040634324 174360457 /nfs/dbraw/zinc/36/04/57/174360457.db2.gz YARVEEGCFRRLEJ-PWSUYJOCSA-N 0 3 280.393 2.114 10 0 CEAEHN COc1ccc(-c2nc([C@H]3C[C@H](OC)CN3)[nH]c2C)cc1 ZINC000040637668 174361792 /nfs/dbraw/zinc/36/17/92/174361792.db2.gz IKNBBIZJPMEITQ-UONOGXRCSA-N 0 3 287.363 2.443 10 0 CEAEHN COc1ccc(-c2nc([C@@H]3C[C@H](OC)CN3)[nH]c2C)cc1 ZINC000040637667 174362070 /nfs/dbraw/zinc/36/20/70/174362070.db2.gz IKNBBIZJPMEITQ-KBPBESRZSA-N 0 3 287.363 2.443 10 0 CEAEHN CC(C)c1ccc(Oc2ncnc(NN)c2N)cc1 ZINC000040727441 174387815 /nfs/dbraw/zinc/38/78/15/174387815.db2.gz SODGOZMYOPSONZ-UHFFFAOYSA-N 0 3 259.313 2.260 10 0 CEAEHN Cc1nn([C@H](C)C(=O)Nc2cccc(CN)c2)c(C)c1C ZINC000040729168 174388443 /nfs/dbraw/zinc/38/84/43/174388443.db2.gz YMYPWIDPOWYNKI-CYBMUJFWSA-N 0 3 286.379 2.467 10 0 CEAEHN CC(C)(N)c1cn(Cc2cc(-c3ccccc3)no2)nn1 ZINC000070118351 414765306 /nfs/dbraw/zinc/76/53/06/414765306.db2.gz OFXTUVLFUBPJNN-UHFFFAOYSA-N 0 3 283.335 2.175 10 0 CEAEHN CC(C)(N)c1cn(CCCOc2ccc(F)cc2)nn1 ZINC000070117894 414766636 /nfs/dbraw/zinc/76/66/36/414766636.db2.gz XMMAFXYKYCAMPJ-UHFFFAOYSA-N 0 3 278.331 2.080 10 0 CEAEHN CC(C)c1ccc(CN2CC[C@@H]3OCCN[C@@H]3C2)cc1 ZINC000404061571 414771315 /nfs/dbraw/zinc/77/13/15/414771315.db2.gz DFCNHXMNXGVCCG-SJORKVTESA-N 0 3 274.408 2.373 10 0 CEAEHN Fc1cccc(Cl)c1CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000404276186 414779129 /nfs/dbraw/zinc/77/91/29/414779129.db2.gz RYNSSRZULIIXLR-KBPBESRZSA-N 0 3 284.762 2.042 10 0 CEAEHN C[C@@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)C(C)(C)C ZINC000115827861 414779883 /nfs/dbraw/zinc/77/98/83/414779883.db2.gz CEJXNKIDWRVLFF-CHWSQXEVSA-N 0 3 269.433 2.404 10 0 CEAEHN CN(C(=O)CC1CCCCC1)[C@@H](CN)C(F)(F)F ZINC000662977943 414816945 /nfs/dbraw/zinc/81/69/45/414816945.db2.gz NOLBCNDSBVELTO-JTQLQIEISA-N 0 3 266.307 2.305 10 0 CEAEHN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1C ZINC000042337299 174690165 /nfs/dbraw/zinc/69/01/65/174690165.db2.gz ZZZIHGQWJMYVQG-UONOGXRCSA-N 0 3 278.396 2.187 10 0 CEAEHN O[C@H]1CCCC[C@H]1NCc1ccc(F)c(F)c1F ZINC000657360448 414885782 /nfs/dbraw/zinc/88/57/82/414885782.db2.gz HPLKFYPRRIKZMZ-MNOVXSKESA-N 0 3 259.271 2.497 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1ccc(F)c(F)c1F ZINC000657377294 414898230 /nfs/dbraw/zinc/89/82/30/414898230.db2.gz BSEXWQAVUZWVEQ-KWQFWETISA-N 0 3 259.271 2.355 10 0 CEAEHN NCc1cc(F)ccc1N(CCO)C1CCCC1 ZINC000042512178 174764906 /nfs/dbraw/zinc/76/49/06/174764906.db2.gz QWCIUQHLSZKBMV-UHFFFAOYSA-N 0 3 252.333 2.026 10 0 CEAEHN COc1cc(CNC2CC(CO)C2)cc(Cl)c1OC ZINC000657808509 415086864 /nfs/dbraw/zinc/08/68/64/415086864.db2.gz JBOKGWWSHXARRJ-UHFFFAOYSA-N 0 3 285.771 2.218 10 0 CEAEHN Cc1cc(C)c([C@@H](N)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000043300046 175001195 /nfs/dbraw/zinc/00/11/95/175001195.db2.gz SILVORKIXSAGPU-OCCSQVGLSA-N 0 3 267.394 2.046 10 0 CEAEHN CCN[C@@H](c1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300999 175001685 /nfs/dbraw/zinc/00/16/85/175001685.db2.gz GDFNNMLHEGKANM-GXTWGEPZSA-N 0 3 267.394 2.080 10 0 CEAEHN CCCN[C@H](c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043301252 175002003 /nfs/dbraw/zinc/00/20/03/175002003.db2.gz REJYIUZJSWPQDX-FZMZJTMJSA-N 0 3 285.384 2.301 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043301105 175002021 /nfs/dbraw/zinc/00/20/21/175002021.db2.gz BVBMGSQEISGMDC-UKRRQHHQSA-N 0 3 281.421 2.389 10 0 CEAEHN C[NH2+]Cc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000043327895 175009330 /nfs/dbraw/zinc/00/93/30/175009330.db2.gz VRCCGPHJLFLOFI-UHFFFAOYSA-N 0 3 286.331 2.373 10 0 CEAEHN CCOC1CCN([C@@H](c2ccco2)[C@H](C)N)CC1 ZINC000043335489 175011264 /nfs/dbraw/zinc/01/12/64/175011264.db2.gz DOOSJNDQYWAEFC-SMDDNHRTSA-N 0 3 252.358 2.169 10 0 CEAEHN NC[C@H](c1ccccn1)N1CCC[C@@H]1c1cccnc1 ZINC000043339363 175013708 /nfs/dbraw/zinc/01/37/08/175013708.db2.gz MVRASFKTZRBIBU-HZPDHXFCSA-N 0 3 268.364 2.314 10 0 CEAEHN CCN[C@@H](CN(C)CC)c1ccc2c(c1)OCCCO2 ZINC000043820554 175114163 /nfs/dbraw/zinc/11/41/63/175114163.db2.gz OIIAWBOINJAQSX-AWEZNQCLSA-N 0 3 278.396 2.450 10 0 CEAEHN CCOc1ccccc1[C@H](CN1CCO[C@@H](CC)C1)NC ZINC000043892890 175118412 /nfs/dbraw/zinc/11/84/12/175118412.db2.gz LBXCBRGUOBLYOV-HOCLYGCPSA-N 0 3 292.423 2.457 10 0 CEAEHN CCOc1ccc([C@H](CN2CCO[C@@H](CC)C2)NC)cc1 ZINC000043892851 175118804 /nfs/dbraw/zinc/11/88/04/175118804.db2.gz XDEBTWBQIYTDIF-RDJZCZTQSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@H](CN1CCOCC1(C)C)c1cccc(OC)c1 ZINC000043916696 175125681 /nfs/dbraw/zinc/12/56/81/175125681.db2.gz PIINLEIDULYRBQ-OAHLLOKOSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@@H](CN(CCOC)C1CC1)c1cccc(OC)c1 ZINC000043969693 175130227 /nfs/dbraw/zinc/13/02/27/175130227.db2.gz DBXQSMLNOABULK-INIZCTEOSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOc1ccccc1[C@H](CN(C)[C@@H](C)COC)NC ZINC000043969102 175130792 /nfs/dbraw/zinc/13/07/92/175130792.db2.gz VWFRSLNVENSIKG-ZFWWWQNUSA-N 0 3 280.412 2.313 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N(CCOC)C1CC1 ZINC000043970016 175131104 /nfs/dbraw/zinc/13/11/04/175131104.db2.gz WBFJOFAVGRMQJD-NVXWUHKLSA-N 0 3 290.407 2.209 10 0 CEAEHN O=C(CCN[C@H]1CCCc2cc(O)ccc21)N1CCCC1 ZINC000044746860 175242426 /nfs/dbraw/zinc/24/24/26/175242426.db2.gz UQWSMYFBRHSRDL-INIZCTEOSA-N 0 3 288.391 2.372 10 0 CEAEHN C[C@@H](CN1CCCC1=O)N[C@@H]1CCCc2cc(O)ccc21 ZINC000044747388 175242940 /nfs/dbraw/zinc/24/29/40/175242940.db2.gz IODGUQDFIYYSJM-BLLLJJGKSA-N 0 3 288.391 2.370 10 0 CEAEHN CC1CCN(C(=O)[C@H](CN)Cc2ccccc2)CC1 ZINC000044795200 175254701 /nfs/dbraw/zinc/25/47/01/175254701.db2.gz ZNNKJBHWHQGATK-HNNXBMFYSA-N 0 3 260.381 2.063 10 0 CEAEHN CNC(=O)CCN[C@@H]1CCSc2c(F)cccc21 ZINC000044990067 175286147 /nfs/dbraw/zinc/28/61/47/175286147.db2.gz NHCPPLIUSXYRTG-LLVKDONJSA-N 0 3 268.357 2.088 10 0 CEAEHN CCCNC(=O)CCN[C@H]1CCOc2ccccc21 ZINC000045072260 175301682 /nfs/dbraw/zinc/30/16/82/175301682.db2.gz KYTHAHKFFRPRKZ-ZDUSSCGKSA-N 0 3 262.353 2.016 10 0 CEAEHN Nc1ccc2c(c1)CN(CCCCn1ccnc1)C2 ZINC000045109246 175309598 /nfs/dbraw/zinc/30/95/98/175309598.db2.gz OTIHOHCIDWKYEZ-UHFFFAOYSA-N 0 3 256.353 2.261 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCn2cccn2)c1C ZINC000045172294 175321608 /nfs/dbraw/zinc/32/16/08/175321608.db2.gz WMMJCCOLUGYRGQ-NSHDSACASA-N 0 3 261.373 2.067 10 0 CEAEHN CS(=O)(=O)c1ccc(CNc2ccncc2)cc1 ZINC000045173865 175322874 /nfs/dbraw/zinc/32/28/74/175322874.db2.gz ZRDPQDYWRUQITR-UHFFFAOYSA-N 0 3 262.334 2.097 10 0 CEAEHN CCN(C[C@](C)(NC(C)C)C(N)=O)c1ccccc1C ZINC000045223026 175331668 /nfs/dbraw/zinc/33/16/68/175331668.db2.gz AUOVJFKGHSJMNU-INIZCTEOSA-N 0 3 277.412 2.063 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231863 175335783 /nfs/dbraw/zinc/33/57/83/175335783.db2.gz FUSOXYJGYXOKBH-VNHYZAJKSA-N 0 3 270.417 2.482 10 0 CEAEHN CC[N@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C1CCCC1 ZINC000045269272 175340711 /nfs/dbraw/zinc/34/07/11/175340711.db2.gz LJOFUGKZFIWLGU-OAHLLOKOSA-N 0 3 268.401 2.236 10 0 CEAEHN CC[N@@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C1CCCC1 ZINC000045269272 175340713 /nfs/dbraw/zinc/34/07/13/175340713.db2.gz LJOFUGKZFIWLGU-OAHLLOKOSA-N 0 3 268.401 2.236 10 0 CEAEHN CCCN[C@@H](CN(C)C1CCCCC1)C(=O)OCC ZINC000045379009 175368675 /nfs/dbraw/zinc/36/86/75/175368675.db2.gz DFQUHTNYYJWQHY-AWEZNQCLSA-N 0 3 270.417 2.182 10 0 CEAEHN CCOC(=O)[C@@H](CN(C)C(CC)CC)NC(C)C ZINC000045391318 175374926 /nfs/dbraw/zinc/37/49/26/175374926.db2.gz OZRHMIRWKLSPQU-CYBMUJFWSA-N 0 3 258.406 2.037 10 0 CEAEHN N[C@H](c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCCO1 ZINC000050960762 175521438 /nfs/dbraw/zinc/52/14/38/175521438.db2.gz VNNLOZVMYIOKQB-DZGCQCFKSA-N 0 3 260.337 2.140 10 0 CEAEHN CCCN1CCC(NCCOC)(c2nc(C)cs2)CC1 ZINC000053288858 175546883 /nfs/dbraw/zinc/54/68/83/175546883.db2.gz CEZDMZBTYYVADV-UHFFFAOYSA-N 0 3 297.468 2.389 10 0 CEAEHN CCC[C@@H](N)c1cnc(NC(=O)C(C)(C)C)cn1 ZINC000067172097 175770049 /nfs/dbraw/zinc/77/00/49/175770049.db2.gz JJGISDLANCWICA-SECBINFHSA-N 0 3 250.346 2.261 10 0 CEAEHN N[C@H]1CCCN(CCc2ccc(Cl)cc2Cl)C1=O ZINC000070495297 175956197 /nfs/dbraw/zinc/95/61/97/175956197.db2.gz PLDDYEMMBOPPPB-LBPRGKRZSA-N 0 3 287.190 2.486 10 0 CEAEHN CN[C@](CO)(Cn1ccc(C(F)(F)F)n1)c1ccccc1 ZINC000070516103 175965030 /nfs/dbraw/zinc/96/50/30/175965030.db2.gz GORLENYOSDGRPN-ZDUSSCGKSA-N 0 3 299.296 2.009 10 0 CEAEHN Cc1cccc(N(C)C[C@@](O)(CN)c2ccccc2)c1 ZINC000070521599 175967069 /nfs/dbraw/zinc/96/70/69/175967069.db2.gz UIFJBTTXBSVRNV-KRWDZBQOSA-N 0 3 270.376 2.278 10 0 CEAEHN Cc1ccc([C@H]2[C@H](N)CCC(=O)N2C2CC2)cc1F ZINC000070987212 176018670 /nfs/dbraw/zinc/01/86/70/176018670.db2.gz WDXFQOKJMABDKG-HIFRSBDPSA-N 0 3 262.328 2.287 10 0 CEAEHN C[C@@H](c1cccs1)N1CC[C@H](NC2CC2)C1=O ZINC000071040245 176027541 /nfs/dbraw/zinc/02/75/41/176027541.db2.gz RFGQZENECPMQTD-ONGXEEELSA-N 0 3 250.367 2.162 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1CCC1CCCCC1 ZINC000071041406 176028200 /nfs/dbraw/zinc/02/82/00/176028200.db2.gz SJUMSLMXNLIIGM-CQSZACIVSA-N 0 3 250.386 2.310 10 0 CEAEHN COc1ccc(N2CCC[C@H](NC(C)C)C2=O)c(C)c1 ZINC000071042628 176028539 /nfs/dbraw/zinc/02/85/39/176028539.db2.gz GWWVFPWKNLWDNK-AWEZNQCLSA-N 0 3 276.380 2.497 10 0 CEAEHN CC(C)(C)c1ccccc1NS(=O)(=O)[C@H]1CCCNC1 ZINC000071174650 176054173 /nfs/dbraw/zinc/05/41/73/176054173.db2.gz BIGYYQXCHVBKIK-LBPRGKRZSA-N 0 3 296.436 2.478 10 0 CEAEHN NC(=S)c1cc(F)ccc1CN1CCCC[C@H]1CCO ZINC000071265695 176099624 /nfs/dbraw/zinc/09/96/24/176099624.db2.gz OEDOJCAHFHUARI-ZDUSSCGKSA-N 0 3 296.411 2.197 10 0 CEAEHN COc1cccc(C2CC(NCc3ccnn3C)C2)c1 ZINC000071333373 176125940 /nfs/dbraw/zinc/12/59/40/176125940.db2.gz BKBYJTWXQPVNNT-UHFFFAOYSA-N 0 3 271.364 2.465 10 0 CEAEHN CC(C)Cc1ccc([C@@H](O)CNCc2ccnn2C)cc1 ZINC000071334258 176126585 /nfs/dbraw/zinc/12/65/85/176126585.db2.gz HOLYTRAEVFVRSU-KRWDZBQOSA-N 0 3 287.407 2.442 10 0 CEAEHN C[C@H](CN1CCCCC1)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335707 176127071 /nfs/dbraw/zinc/12/70/71/176127071.db2.gz KXGRRCMUIJOCQV-CYBMUJFWSA-N 0 3 297.443 2.070 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CCO[C@H]1CC1(F)F ZINC000659996168 415834659 /nfs/dbraw/zinc/83/46/59/415834659.db2.gz YGGRQJIWFMWAHJ-RDBSUJKOSA-N 0 3 288.382 2.359 10 0 CEAEHN O[C@]12CCCC[C@H]1CN(CCO[C@H]1CC1(F)F)CC2 ZINC000660013186 415850385 /nfs/dbraw/zinc/85/03/85/415850385.db2.gz POHWOEAFWQGZDQ-AVGNSLFASA-N 0 3 275.339 2.038 10 0 CEAEHN CCNCc1cn2cccc(Br)c2n1 ZINC000076792701 177098098 /nfs/dbraw/zinc/09/80/98/177098098.db2.gz UNPMFLOWIGGIKN-UHFFFAOYSA-N 0 3 254.131 2.206 10 0 CEAEHN CC[C@H](NC[C@H]1CN(CC)CCO1)c1ccccc1 ZINC000078516244 177349224 /nfs/dbraw/zinc/34/92/24/177349224.db2.gz FVKWZGUSSJRCMD-HOTGVXAUSA-N 0 3 262.397 2.448 10 0 CEAEHN CCCNCc1csc(N2CCO[C@H](CC)C2)n1 ZINC000079943095 177586819 /nfs/dbraw/zinc/58/68/19/177586819.db2.gz RHFURDUCUNSZMQ-GFCCVEGCSA-N 0 3 269.414 2.258 10 0 CEAEHN NC(=O)c1ccc(F)c(CN[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000080149789 177614640 /nfs/dbraw/zinc/61/46/40/177614640.db2.gz PMZNXPHCAOQIRX-IMSIIYSGSA-N 0 3 262.328 2.203 10 0 CEAEHN Cc1cc(C)c(O)c(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000133563049 419432117 /nfs/dbraw/zinc/43/21/17/419432117.db2.gz JUIFWQLIAJNSLL-HNNXBMFYSA-N 0 3 262.353 2.480 10 0 CEAEHN COc1c(CNC[C@@H]2CCCC2(F)F)c(C)nn1C ZINC000390696455 262241866 /nfs/dbraw/zinc/24/18/66/262241866.db2.gz RSTLFDUZSXRMII-JTQLQIEISA-N 0 3 273.327 2.262 10 0 CEAEHN CC[C@@](C)(O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190715504 270270377 /nfs/dbraw/zinc/27/03/77/270270377.db2.gz FVFPKTQSUMVFLA-IUODEOHRSA-N 0 3 286.416 2.137 10 0 CEAEHN Cc1nc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)sc1C ZINC000398708690 270361568 /nfs/dbraw/zinc/36/15/68/270361568.db2.gz BWRMCDXXDSODPG-RWMBFGLXSA-N 0 3 266.410 2.353 10 0 CEAEHN CCC[C@]1(C)CCCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261619980 276053088 /nfs/dbraw/zinc/05/30/88/276053088.db2.gz CDDDQMCTLNEOAG-GDBMZVCRSA-N 0 3 282.428 2.169 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H]1CC[C@H](C)O1 ZINC000249077933 277105696 /nfs/dbraw/zinc/10/56/96/277105696.db2.gz MCDZTIZLYWNOKM-RMEBNNNOSA-N 0 3 281.396 2.360 10 0 CEAEHN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)C1CCCC1 ZINC000125367540 277272131 /nfs/dbraw/zinc/27/21/31/277272131.db2.gz FFKIEHDDKCLMLO-WCQYABFASA-N 0 3 278.400 2.428 10 0 CEAEHN C[C@@H]1CN[C@@H](C)CN1c1cc(C(F)(F)F)ccn1 ZINC000090804061 278844108 /nfs/dbraw/zinc/84/41/08/278844108.db2.gz XYYLWWKVDLLTNM-DTWKUNHWSA-N 0 3 259.275 2.287 10 0 CEAEHN Cc1csc2c1ncnc2N1C[C@@H](C)NC[C@@H]1C ZINC000222273463 279048072 /nfs/dbraw/zinc/04/80/72/279048072.db2.gz UKDDFANVIKAENP-ZJUUUORDSA-N 0 3 262.382 2.186 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1C ZINC000174000159 279123698 /nfs/dbraw/zinc/12/36/98/279123698.db2.gz JSHOQOLFFDDGPL-QWHCGFSZSA-N 0 3 255.406 2.157 10 0 CEAEHN C[C@H]1CN(c2ncccc2Br)[C@@H](C)CN1 ZINC000083118985 279892133 /nfs/dbraw/zinc/89/21/33/279892133.db2.gz HQIRJQLWOLYLIC-IUCAKERBSA-N 0 3 270.174 2.031 10 0 CEAEHN CCCC[C@@H](NC[C@H]1CCCN1CC(C)C)C(=O)OC ZINC000135256350 280040808 /nfs/dbraw/zinc/04/08/08/280040808.db2.gz NKXDDRKPXLYZSU-HUUCEWRRSA-N 0 3 284.444 2.428 10 0 CEAEHN CC[C@@H](O)CN1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000123558601 280206790 /nfs/dbraw/zinc/20/67/90/280206790.db2.gz OKMSQYZLKDZUAB-IYICPGQYSA-N 0 3 288.435 2.478 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CC[C@@H](C)[C@H](C)C2)C1 ZINC000245891341 280264456 /nfs/dbraw/zinc/26/44/56/280264456.db2.gz JPLWMVZQWARAII-MCIONIFRSA-N 0 3 267.417 2.158 10 0 CEAEHN O=C1O[C@H](CN2CC[C@]3(O)CCCC[C@H]3C2)CC12CCC2 ZINC000192075957 280312575 /nfs/dbraw/zinc/31/25/75/280312575.db2.gz URHJEEZENDTCRT-GRDNDAEWSA-N 0 3 293.407 2.099 10 0 CEAEHN CC[C@@H]1CCC[C@@H](CN2CCCNC(=O)[C@H]2C)C1 ZINC000248889000 280371851 /nfs/dbraw/zinc/37/18/51/280371851.db2.gz APCDDKVIRLGGHW-MGPQQGTHSA-N 0 3 252.402 2.413 10 0 CEAEHN CCN(C[C@H]1COc2ccccc2O1)C[C@@](C)(O)CC ZINC000249428537 280396838 /nfs/dbraw/zinc/39/68/38/280396838.db2.gz YSHONJMHQUUXSL-BBRMVZONSA-N 0 3 279.380 2.309 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@H]1CN(C)CCO1)[C@H](C)C2 ZINC000246039211 281120451 /nfs/dbraw/zinc/12/04/51/281120451.db2.gz WYHMSVCLLZTOSQ-UKPHBRMFSA-N 0 3 274.408 2.149 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC1(C)CCC1 ZINC000159290973 289250180 /nfs/dbraw/zinc/25/01/80/289250180.db2.gz NBOZNPWEBKMIGC-GFCCVEGCSA-N 0 3 255.406 2.205 10 0 CEAEHN COC[C@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000136666777 293156569 /nfs/dbraw/zinc/15/65/69/293156569.db2.gz RVOXUWTWKXEZQE-XEZPLFJOSA-N 0 3 290.407 2.267 10 0 CEAEHN Cc1nc2c(s1)[C@@H](N[C@@H]1CCc3ncnn3C1)CCC2 ZINC000180589446 293432726 /nfs/dbraw/zinc/43/27/26/293432726.db2.gz OBMPCFLOXGTTAI-PWSUYJOCSA-N 0 3 289.408 2.025 10 0 CEAEHN C[C@@H]1CN(c2ncccc2Br)[C@@H](C)CN1 ZINC000083118983 297085033 /nfs/dbraw/zinc/08/50/33/297085033.db2.gz HQIRJQLWOLYLIC-BDAKNGLRSA-N 0 3 270.174 2.031 10 0 CEAEHN COc1ccc(C)cc1[C@@]([O-])([C@H](C)[NH3+])C(F)(F)F ZINC000062784627 523854427 /nfs/dbraw/zinc/85/44/27/523854427.db2.gz TWZZUEYCMASYCK-KWQFWETISA-N 0 3 263.259 2.101 10 0 CEAEHN Cc1cccc(CCN2C[C@H]3CCCCN3C[C@H]2C)n1 ZINC000576460710 314277854 /nfs/dbraw/zinc/27/78/54/314277854.db2.gz BIXZRSWHLWPBIO-NVXWUHKLSA-N 0 3 273.424 2.491 10 0 CEAEHN C[C@@H](N[C@H]1CCCn2ncnc21)C1CCSCC1 ZINC000187286066 321757528 /nfs/dbraw/zinc/75/75/28/321757528.db2.gz XYIRBEVILGCWLP-PWSUYJOCSA-N 0 3 266.414 2.234 10 0 CEAEHN CC(C)NCc1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904512 519728326 /nfs/dbraw/zinc/72/83/26/519728326.db2.gz RNSMOSHGLHEUSK-UHFFFAOYSA-N 0 3 269.414 2.256 10 0 CEAEHN CC(C)N[C@@H](CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442992 519733887 /nfs/dbraw/zinc/73/38/87/519733887.db2.gz IBMFECXPPJCHEJ-ZDUSSCGKSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)N[C@@H](CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442992 519733889 /nfs/dbraw/zinc/73/38/89/519733889.db2.gz IBMFECXPPJCHEJ-ZDUSSCGKSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN(C)C1CCCCC1)C(=O)[O-] ZINC000062442992 519733890 /nfs/dbraw/zinc/73/38/90/519733890.db2.gz IBMFECXPPJCHEJ-ZDUSSCGKSA-N 0 3 256.390 2.092 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(C(=O)NC)ccc1Cl ZINC000061292069 519905905 /nfs/dbraw/zinc/90/59/05/519905905.db2.gz NOKZGFGNDVXRJG-UHFFFAOYSA-N 0 3 297.786 2.026 10 0 CEAEHN CCCNCc1occc1CN(CCOC)C1CC1 ZINC000052542433 519971985 /nfs/dbraw/zinc/97/19/85/519971985.db2.gz MNFOQURZLJTAQX-UHFFFAOYSA-N 0 3 266.385 2.390 10 0 CEAEHN CCNCc1cc(C)ccc1OC[C@@H](O)C(F)(F)F ZINC000068878189 519985776 /nfs/dbraw/zinc/98/57/76/519985776.db2.gz KDFRECPZGXJHSM-GFCCVEGCSA-N 0 3 277.286 2.407 10 0 CEAEHN CCCN[C@H](CCN1CCC(C)(C)CC1)C(=O)OCC ZINC000062532959 520074663 /nfs/dbraw/zinc/07/46/63/520074663.db2.gz OJUZDQICYSJURE-CQSZACIVSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@H](CCOc1ccc(C(C)C)c(C)c1)C(N)=O ZINC000062548858 520089883 /nfs/dbraw/zinc/08/98/83/520089883.db2.gz RWAAKGQBUFCQBL-HNNXBMFYSA-N 0 3 278.396 2.351 10 0 CEAEHN CCN[C@@H](Cc1cccc(C)c1)C(C)(C)S(C)(=O)=O ZINC000070130083 520104764 /nfs/dbraw/zinc/10/47/64/520104764.db2.gz IKQQMGGHXHAWTI-AWEZNQCLSA-N 0 3 283.437 2.339 10 0 CEAEHN CCCCSC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069184159 520957930 /nfs/dbraw/zinc/95/79/30/520957930.db2.gz DCTONKYNXXTKMC-CYBMUJFWSA-N 0 3 258.431 2.152 10 0 CEAEHN CCN(Cc1cc(CNCC(C)C)no1)[C@H](C)COC ZINC000052504854 521289384 /nfs/dbraw/zinc/28/93/84/521289384.db2.gz ARLWZVNZZQGWJA-CYBMUJFWSA-N 0 3 283.416 2.277 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000061300624 521941566 /nfs/dbraw/zinc/94/15/66/521941566.db2.gz NXSAHYWOEIZVLC-UHFFFAOYSA-N 0 3 250.342 2.249 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccc(F)cc1OC ZINC000049569985 522227552 /nfs/dbraw/zinc/22/75/52/522227552.db2.gz LTUODILYAJMFER-SECBINFHSA-N 0 3 254.305 2.161 10 0 CEAEHN CCCN1C(=O)CC[C@H](N)[C@@H]1c1ccc(OC)cc1OC ZINC000070986071 517584024 /nfs/dbraw/zinc/58/40/24/517584024.db2.gz FBPIICUQSFWNCJ-BBRMVZONSA-N 0 3 292.379 2.105 10 0 CEAEHN CC(C)CCCOC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069195780 519643028 /nfs/dbraw/zinc/64/30/28/519643028.db2.gz ACCMZZRASOEOIB-HNNXBMFYSA-N 0 3 270.417 2.071 10 0 CEAEHN CC(C)CN1CCN(Cc2ccc(C(N)=S)cc2)CC1 ZINC000055079491 519727126 /nfs/dbraw/zinc/72/71/26/519727126.db2.gz UVWLSYVTZGYGQQ-UHFFFAOYSA-N 0 3 291.464 2.094 10 0 CEAEHN CC(C)NCc1coc(CN2CCSCC2)c1 ZINC000052425665 519728900 /nfs/dbraw/zinc/72/89/00/519728900.db2.gz XFMMXEWOZOYMEM-UHFFFAOYSA-N 0 3 254.399 2.326 10 0 CEAEHN CC(C)N[C@H](CCSc1ccccc1F)C(N)=O ZINC000062598459 519738496 /nfs/dbraw/zinc/73/84/96/519738496.db2.gz MPQSRWOSBTYUQZ-LLVKDONJSA-N 0 3 270.373 2.160 10 0 CEAEHN CC(C)N[C@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185524 519740848 /nfs/dbraw/zinc/74/08/48/519740848.db2.gz HQDQHOLWRVEEIX-HNNXBMFYSA-N 0 3 278.421 2.411 10 0 CEAEHN CCCC1CCN(CC[C@](C)(NC)C(=O)OC)CC1 ZINC000050905729 519901352 /nfs/dbraw/zinc/90/13/52/519901352.db2.gz SZEIQERIMRPRLJ-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(OC)ccc1OC ZINC000061287063 519906947 /nfs/dbraw/zinc/90/69/47/519906947.db2.gz FNHXXPAOBZAAJS-UHFFFAOYSA-N 0 3 266.341 2.030 10 0 CEAEHN CCNCc1c(C)nn(C)c1N(C)C(C)(C)CC ZINC000069441943 519983384 /nfs/dbraw/zinc/98/33/84/519983384.db2.gz QDCYSPVJJRZNAS-UHFFFAOYSA-N 0 3 252.406 2.463 10 0 CEAEHN CCNCc1cc(C)ccc1OC[C@H](O)C(F)(F)F ZINC000068878186 519985313 /nfs/dbraw/zinc/98/53/13/519985313.db2.gz KDFRECPZGXJHSM-LBPRGKRZSA-N 0 3 277.286 2.407 10 0 CEAEHN CCNCc1cc(N2C[C@H](C)OC(C)(C)C2)ccn1 ZINC000051488622 519992854 /nfs/dbraw/zinc/99/28/54/519992854.db2.gz STSRJPMQSOVJJR-LBPRGKRZSA-N 0 3 263.385 2.195 10 0 CEAEHN CCNCc1ccc(CN2CCCSCC2)o1 ZINC000052371042 519996309 /nfs/dbraw/zinc/99/63/09/519996309.db2.gz OVSUCPQXLZZDAE-UHFFFAOYSA-N 0 3 254.399 2.328 10 0 CEAEHN CCNCc1ccnc(Cc2cc(F)cc(F)c2)n1 ZINC000054791233 520010378 /nfs/dbraw/zinc/01/03/78/520010378.db2.gz VMPOFBQJIWSIAU-UHFFFAOYSA-N 0 3 263.291 2.455 10 0 CEAEHN CC(C)n1ccnc(N[C@H](C)CN2CCCCC2)c1=O ZINC000061765111 520023959 /nfs/dbraw/zinc/02/39/59/520023959.db2.gz SNGBXNJSYYFWSM-CYBMUJFWSA-N 0 3 278.400 2.111 10 0 CEAEHN CCNCc1oc(CN2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000052381009 520026655 /nfs/dbraw/zinc/02/66/55/520026655.db2.gz WVQSFBCRVCCIKH-CHWSQXEVSA-N 0 3 266.385 2.307 10 0 CEAEHN CCCN[C@@](CN1CCC(C)CC1)(C(=O)OCC)C1CC1 ZINC000069092548 520053112 /nfs/dbraw/zinc/05/31/12/520053112.db2.gz UVAIZDVTCAGGLJ-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCN[C@H](CCN1CCCC[C@@H]1C)C(=O)OCC ZINC000062440312 520073890 /nfs/dbraw/zinc/07/38/90/520073890.db2.gz WCQCCHUWJMZZGB-UONOGXRCSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN[C@H](CCN1CCC(CC)CC1)C(=O)OC ZINC000062526514 520074385 /nfs/dbraw/zinc/07/43/85/520074385.db2.gz LEBRIWZQXPJRCF-CQSZACIVSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@H](CCSc1ccc(C)cc1C)C(N)=O ZINC000062598801 520094094 /nfs/dbraw/zinc/09/40/94/520094094.db2.gz ZYYINJRIQLGMOJ-LBPRGKRZSA-N 0 3 266.410 2.249 10 0 CEAEHN CCCN[C@H]1COc2cc(O[C@H](C)C(=O)OCC)ccc21 ZINC000062805036 520098550 /nfs/dbraw/zinc/09/85/50/520098550.db2.gz QAOMEGRHACXXFD-RISCZKNCSA-N 0 3 293.363 2.450 10 0 CEAEHN CCN[C@@H](Cc1ccc(OC)c(OC)c1)c1cncnc1 ZINC000052887253 520104464 /nfs/dbraw/zinc/10/44/64/520104464.db2.gz YAADJKHBOGHVEU-AWEZNQCLSA-N 0 3 287.363 2.387 10 0 CEAEHN CCCCCC[C@@H](C)OC[C@@](NC)(C(N)=O)C1CC1 ZINC000069195534 520120402 /nfs/dbraw/zinc/12/04/02/520120402.db2.gz AIONKDQKYUOXMB-DOMZBBRYSA-N 0 3 270.417 2.215 10 0 CEAEHN CCN[C@@](C)(CCCN1Cc2ccccc2C1)C(=O)OC ZINC000050912269 520132584 /nfs/dbraw/zinc/13/25/84/520132584.db2.gz JTGBWSQBPVAMBT-KRWDZBQOSA-N 0 3 290.407 2.324 10 0 CEAEHN CCCNc1cc(CN(CC)CCOC)ccn1 ZINC000052728401 520135373 /nfs/dbraw/zinc/13/53/73/520135373.db2.gz NNDTZJNREMMRJO-UHFFFAOYSA-N 0 3 251.374 2.372 10 0 CEAEHN CCN[C@@](CN(C)[C@@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069096740 520149931 /nfs/dbraw/zinc/14/99/31/520149931.db2.gz DTIIAEGEFRZEGZ-SWLSCSKDSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN[C@H]1COc2cc(OCc3ncccn3)ccc21 ZINC000062804728 520220864 /nfs/dbraw/zinc/22/08/64/520220864.db2.gz YVFITRIRNSXOKX-ZDUSSCGKSA-N 0 3 271.320 2.099 10 0 CEAEHN CCN[C@](C)(CCSCc1cccc(C)c1)C(N)=O ZINC000054966535 520232211 /nfs/dbraw/zinc/23/22/11/520232211.db2.gz SZEPUFCJPSSWMO-OAHLLOKOSA-N 0 3 280.437 2.472 10 0 CEAEHN CCNc1ccc(CN(CC)[C@H](C)COC)cn1 ZINC000050814973 520299329 /nfs/dbraw/zinc/29/93/29/520299329.db2.gz NHPOSMHCOGBWDW-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN CCNc1ccc(CN2CCN(C(C)C)CC2)cn1 ZINC000050813886 520300957 /nfs/dbraw/zinc/30/09/57/520300957.db2.gz SIVYXFMOEYRIDS-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN CCO[C@@H]1CCCN(c2nc(CC)c(CN)s2)C1 ZINC000055002325 520322942 /nfs/dbraw/zinc/32/29/42/520322942.db2.gz OBVKRIDHHOEEBX-SNVBAGLBSA-N 0 3 269.414 2.170 10 0 CEAEHN CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C)C2CCCC2)C1(C)C ZINC000157482740 520451714 /nfs/dbraw/zinc/45/17/14/520451714.db2.gz LHLLRKHGPSPVAB-KFNAQCHYSA-N 0 3 282.428 2.214 10 0 CEAEHN CCN(CC)C(=O)COc1cc(F)ccc1[C@@H](C)N ZINC000062745854 520490659 /nfs/dbraw/zinc/49/06/59/520490659.db2.gz SENUFDUQBZZBPC-SNVBAGLBSA-N 0 3 268.332 2.093 10 0 CEAEHN CC1(C)Cc2c(N3CCNCC3)n[nH]c2-c2ccccc21 ZINC000062670012 520575563 /nfs/dbraw/zinc/57/55/63/520575563.db2.gz VVHMITUNVKNIJU-UHFFFAOYSA-N 0 3 282.391 2.320 10 0 CEAEHN CCCCOCCOc1cccc(F)c1C(=N)N ZINC000049262464 520794970 /nfs/dbraw/zinc/79/49/70/520794970.db2.gz WNIVSPMMVZFREK-UHFFFAOYSA-N 0 3 254.305 2.305 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)N[C@@H](C)CN1CCCCC1 ZINC000049501638 521332150 /nfs/dbraw/zinc/33/21/50/521332150.db2.gz WVQBQSWOPWYSNU-UONOGXRCSA-N 0 3 283.460 2.144 10 0 CEAEHN CCOC(=O)[C@](CN(CC)C1CC1)(NC(C)C)C1CC1 ZINC000069097993 521339951 /nfs/dbraw/zinc/33/99/51/521339951.db2.gz YPVBJHXKQMPYHW-MRXNPFEDSA-N 0 3 282.428 2.181 10 0 CEAEHN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)NC ZINC000052395751 521391482 /nfs/dbraw/zinc/39/14/82/521391482.db2.gz KCKPFXLGOQOCKO-QMMMGPOBSA-N 0 3 284.381 2.088 10 0 CEAEHN CCCc1ccc(OC[C@](NCC)(C(N)=O)C2CC2)cc1 ZINC000069198555 521405102 /nfs/dbraw/zinc/40/51/02/521405102.db2.gz MBRCJNFZWNLGBU-QGZVFWFLSA-N 0 3 290.407 2.262 10 0 CEAEHN CCN(c1c(CNCC(C)C)c(C)nn1C)[C@@H](C)COC ZINC000062737882 521477681 /nfs/dbraw/zinc/47/76/81/521477681.db2.gz WZBSHJZQDMPCJW-ZDUSSCGKSA-N 0 3 296.459 2.335 10 0 CEAEHN CCCc1nc(N2CCOCC2(C)C)sc1CN ZINC000055001872 521532225 /nfs/dbraw/zinc/53/22/25/521532225.db2.gz XDNYOBBBTCPTGI-UHFFFAOYSA-N 0 3 269.414 2.170 10 0 CEAEHN CCC(CC)N(CCOC)Cc1cccnc1C(=N)N ZINC000061658291 521559535 /nfs/dbraw/zinc/55/95/35/521559535.db2.gz PYCZROZQQGFTRW-UHFFFAOYSA-N 0 3 278.400 2.003 10 0 CEAEHN CCCN(CC)C[C@](NC1CC1)(C(=O)OCC)C1CC1 ZINC000069098052 521613734 /nfs/dbraw/zinc/61/37/34/521613734.db2.gz AWXHEHVEUYEBHI-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCN1CCC[C@H](Nc2cc(Cl)nc(C)n2)C1 ZINC000052836721 521649602 /nfs/dbraw/zinc/64/96/02/521649602.db2.gz QGBHESGORVHEAS-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN CCCn1cc(N)cc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000049550985 521653604 /nfs/dbraw/zinc/65/36/04/521653604.db2.gz PGLXSZDFNDKNOQ-CQSZACIVSA-N 0 3 294.443 2.186 10 0 CEAEHN CCCN(C[C@@](NC1CC1)(C(=O)OCC)C1CC1)C1CC1 ZINC000069098223 521676204 /nfs/dbraw/zinc/67/62/04/521676204.db2.gz AXFZRIBHHWMWMW-KRWDZBQOSA-N 0 3 294.439 2.325 10 0 CEAEHN CCCN1C(=O)C[C@H](N[C@H](C)CCCC(C)C)C1=O ZINC000049128617 521700492 /nfs/dbraw/zinc/70/04/92/521700492.db2.gz CASPHEPUETZHER-OLZOCXBDSA-N 0 3 268.401 2.328 10 0 CEAEHN CCN1CCN(c2nc3c(s2)[C@H](N)CC(C)(C)C3)CC1 ZINC000054863979 521701164 /nfs/dbraw/zinc/70/11/64/521701164.db2.gz WZDMLSKHNYLEIE-LLVKDONJSA-N 0 3 294.468 2.257 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)NC ZINC000062746501 521745743 /nfs/dbraw/zinc/74/57/43/521745743.db2.gz LNDARSYSDOQGKP-UWVGGRQHSA-N 0 3 268.332 2.010 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CCC(=O)c1ccccc1 ZINC000061653382 521837836 /nfs/dbraw/zinc/83/78/36/521837836.db2.gz YUNRECZUXMWSNL-HNNXBMFYSA-N 0 3 260.381 2.285 10 0 CEAEHN COCC[C@H](N)c1nc2cc(Br)ccc2n1C ZINC000052785248 521950562 /nfs/dbraw/zinc/95/05/62/521950562.db2.gz DYTNSOHWQJRQTK-VIFPVBQESA-N 0 3 298.184 2.372 10 0 CEAEHN CC[C@@H](C)CNCC(=O)Nc1ccccc1OC ZINC000054472268 521996300 /nfs/dbraw/zinc/99/63/00/521996300.db2.gz MTRPYFNGJPKHJF-LLVKDONJSA-N 0 3 250.342 2.269 10 0 CEAEHN CNCc1c(C)nn(C)c1N1CC[C@@H](c2ccccc2)C1 ZINC000050600354 522100368 /nfs/dbraw/zinc/10/03/68/522100368.db2.gz SMXQAOCBLXGEEH-OAHLLOKOSA-N 0 3 284.407 2.442 10 0 CEAEHN CNCc1cc(C)ccc1OC[C@H](O)C(F)(F)F ZINC000068878176 522103123 /nfs/dbraw/zinc/10/31/23/522103123.db2.gz MDWPXPYFRMINMB-NSHDSACASA-N 0 3 263.259 2.016 10 0 CEAEHN CNCc1cc(Cl)c(OCc2ncccn2)c(OC)c1 ZINC000054458288 522111878 /nfs/dbraw/zinc/11/18/78/522111878.db2.gz VXOKEOQPKNOKSF-UHFFFAOYSA-N 0 3 293.754 2.437 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@H]2CNc3ccccc3O2)CC1 ZINC000055083409 522124195 /nfs/dbraw/zinc/12/41/95/522124195.db2.gz IMXMKEHIHYVFGB-HUUCEWRRSA-N 0 3 289.423 2.276 10 0 CEAEHN CC[C@@H](C)N1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000055069714 522130758 /nfs/dbraw/zinc/13/07/58/522130758.db2.gz FSVWVSMMRVNHCB-COXVUDFISA-N 0 3 274.408 2.061 10 0 CEAEHN CNCc1occc1Cn1cc(Br)cn1 ZINC000052577460 522165666 /nfs/dbraw/zinc/16/56/66/522165666.db2.gz RVODLOLHJKWKCL-UHFFFAOYSA-N 0 3 270.130 2.006 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)OC ZINC000062746142 522332957 /nfs/dbraw/zinc/33/29/57/522332957.db2.gz AWEPHKQBYOKRNA-IUCAKERBSA-N 0 3 255.289 2.046 10 0 CEAEHN CN[C@@H](CSC)c1ccc2c(c1)OCCCO2 ZINC000055229733 522356090 /nfs/dbraw/zinc/35/60/90/522356090.db2.gz LCTCHYOIENUODP-NSHDSACASA-N 0 3 253.367 2.471 10 0 CEAEHN CN[C@@H](Cc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000050542653 522361560 /nfs/dbraw/zinc/36/15/60/522361560.db2.gz NASSRVZKICTLKT-ZDUSSCGKSA-N 0 3 251.280 2.202 10 0 CEAEHN CN[C@@H](Cn1ncccc1=O)c1c(C)cc(C)cc1C ZINC000061402264 522364227 /nfs/dbraw/zinc/36/42/27/522364227.db2.gz JLPBXYQFVAOTSX-AWEZNQCLSA-N 0 3 271.364 2.129 10 0 CEAEHN COC[C@@H](O)COc1c2ccccc2ccc1[C@@H](C)N ZINC000069053621 522425502 /nfs/dbraw/zinc/42/55/02/522425502.db2.gz PYNCDDSAGIXMLM-DGCLKSJQSA-N 0 3 275.348 2.246 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000054073324 522437887 /nfs/dbraw/zinc/43/78/87/522437887.db2.gz AKZMVSSPYQOGLL-ZWNOBZJWSA-N 0 3 252.333 2.247 10 0 CEAEHN CN[C@H](Cn1nc(C)ccc1=O)c1ccc(C)c(C)c1 ZINC000061810258 522475659 /nfs/dbraw/zinc/47/56/59/522475659.db2.gz UMICHVKUJVDNBO-OAHLLOKOSA-N 0 3 271.364 2.129 10 0 CEAEHN CN[C@H](c1c(OC)cc(OC)cc1OC)C1CCOCC1 ZINC000061671639 522477774 /nfs/dbraw/zinc/47/77/74/522477774.db2.gz KGSVETCPBFORNI-INIZCTEOSA-N 0 3 295.379 2.400 10 0 CEAEHN CN[C@H](c1cncnc1)C1(c2ccccc2)CCOCC1 ZINC000062783702 522485330 /nfs/dbraw/zinc/48/53/30/522485330.db2.gz PBUUYMWWOAXKEK-MRXNPFEDSA-N 0 3 283.375 2.486 10 0 CEAEHN CN[C@](C)(C[C@@H](C)Oc1ccccc1C(C)C)C(N)=O ZINC000068657027 522520703 /nfs/dbraw/zinc/52/07/03/522520703.db2.gz TZQAOGZTKMXDLX-MLGOLLRUSA-N 0 3 278.396 2.431 10 0 CEAEHN CN(CC(F)(F)F)c1nc(C2CC2)c(CN)s1 ZINC000069180033 522577745 /nfs/dbraw/zinc/57/77/45/522577745.db2.gz FNFXSLOADRHESZ-UHFFFAOYSA-N 0 3 265.304 2.478 10 0 CEAEHN COc1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H](C)N1 ZINC000049570465 522610328 /nfs/dbraw/zinc/61/03/28/522610328.db2.gz JDEKTDPQHOJAQP-BXKDBHETSA-N 0 3 266.316 2.303 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1cc(OC)ccc1OC)C(F)(F)F ZINC000062784742 522654905 /nfs/dbraw/zinc/65/49/05/522654905.db2.gz IPRBNDSWCBOPEY-VXGBXAGGSA-N 0 3 293.285 2.191 10 0 CEAEHN COc1cc(OC)c(OC)cc1CN[C@H]1C[C@H]1C ZINC000052269557 522827190 /nfs/dbraw/zinc/82/71/90/522827190.db2.gz UUUOACBRDQFQSP-KOLCDFICSA-N 0 3 251.326 2.210 10 0 CEAEHN CN(CCOCC(F)(F)F)Cc1cccc(N)c1 ZINC000049311271 522886446 /nfs/dbraw/zinc/88/64/46/522886446.db2.gz PJSFBHKXCSVTNN-UHFFFAOYSA-N 0 3 262.275 2.280 10 0 CEAEHN CC[C@@H](Oc1ccc(Cl)cc1[C@H](C)NC)C(N)=O ZINC000061676047 523041893 /nfs/dbraw/zinc/04/18/93/523041893.db2.gz KXHVPZJAFKIAMZ-GZMMTYOYSA-N 0 3 270.760 2.263 10 0 CEAEHN CN(Cc1ccc(F)cc1)c1ccnc(C(=N)N)c1 ZINC000061814170 523253795 /nfs/dbraw/zinc/25/37/95/523253795.db2.gz VXQYACJPUZIELW-UHFFFAOYSA-N 0 3 258.300 2.141 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2ccc(F)c(C)c2)CCO1 ZINC000050546063 523300835 /nfs/dbraw/zinc/30/08/35/523300835.db2.gz CQNYEZXJMYKSCC-ZFWWWQNUSA-N 0 3 266.360 2.245 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1Cc1cc(CNC)c(C)o1 ZINC000052570904 523343575 /nfs/dbraw/zinc/34/35/75/523343575.db2.gz ABCCAKXZNCJHDW-FZMZJTMJSA-N 0 3 266.385 2.307 10 0 CEAEHN COCCCOc1ccc(CNCCOC)cc1Cl ZINC000062730453 523414117 /nfs/dbraw/zinc/41/41/17/523414117.db2.gz IBFDICKIKHVTQE-UHFFFAOYSA-N 0 3 287.787 2.491 10 0 CEAEHN CCn1cc([C@H](Cc2nc(C)cs2)NC)cn1 ZINC000055268336 523480112 /nfs/dbraw/zinc/48/01/12/523480112.db2.gz HWZWZFFCWVISBK-NSHDSACASA-N 0 3 250.371 2.171 10 0 CEAEHN CC[C@@H]1COCCN1c1c(CNC(C)(C)C)c(C)nn1C ZINC000062736307 523502003 /nfs/dbraw/zinc/50/20/03/523502003.db2.gz ARLLAYOTZGFCAJ-CYBMUJFWSA-N 0 3 294.443 2.232 10 0 CEAEHN CN([C@@H](CN)c1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000062710103 523622527 /nfs/dbraw/zinc/62/25/27/523622527.db2.gz PAKRJQHDOLRIBY-ZDUSSCGKSA-N 0 3 288.313 2.215 10 0 CEAEHN COCCN(CCOC)Cc1cc(CNC(C)C)c(C)o1 ZINC000052571394 523720070 /nfs/dbraw/zinc/72/00/70/523720070.db2.gz SQCHDJNAVJKPJK-UHFFFAOYSA-N 0 3 298.427 2.181 10 0 CEAEHN CN1CCN([C@@H](CN)c2cc3ccccc3o2)CC1(C)C ZINC000068812070 523916673 /nfs/dbraw/zinc/91/66/73/523916673.db2.gz XMTUAHHMEVCPFZ-AWEZNQCLSA-N 0 3 287.407 2.459 10 0 CEAEHN CC[C@H](C)N(C)c1nc2sccn2c1CNCCOC ZINC000062735390 523924722 /nfs/dbraw/zinc/92/47/22/523924722.db2.gz CRMNOXWBYREZGZ-NSHDSACASA-N 0 3 296.440 2.367 10 0 CEAEHN COCCNC[C@](C)(O)c1cc(Cl)ccc1Cl ZINC000055033608 523944226 /nfs/dbraw/zinc/94/42/26/523944226.db2.gz JMOXUTLMGIRURJ-LBPRGKRZSA-N 0 3 278.179 2.437 10 0 CEAEHN COCCNCc1c(C)nc(-c2ccco2)nc1C ZINC000054854549 523946113 /nfs/dbraw/zinc/94/61/13/523946113.db2.gz YOKIAKHPNYAZJN-UHFFFAOYSA-N 0 3 261.325 2.089 10 0 CEAEHN COCCNCc1c(N(C)CC(C)C)nc2sccn12 ZINC000062735343 523947162 /nfs/dbraw/zinc/94/71/62/523947162.db2.gz CZPOUZQBURAMSX-UHFFFAOYSA-N 0 3 296.440 2.224 10 0 CEAEHN COCCNCc1ccccc1N(C)C[C@H]1CCCO1 ZINC000062737071 523954043 /nfs/dbraw/zinc/95/40/43/523954043.db2.gz BVBHRPQMLHDYRW-OAHLLOKOSA-N 0 3 278.396 2.038 10 0 CEAEHN CC[C@H](C)N1CCN(CC[C@@H](O)C(C)(C)C)CC1 ZINC000055073096 523954292 /nfs/dbraw/zinc/95/42/92/523954292.db2.gz KWFZEEAUCPMCSQ-UONOGXRCSA-N 0 3 256.434 2.200 10 0 CEAEHN COCCNCc1ccccc1N(CCCO)C(C)C ZINC000062737662 523954290 /nfs/dbraw/zinc/95/42/90/523954290.db2.gz FERZZDHXLUVTIQ-UHFFFAOYSA-N 0 3 280.412 2.020 10 0 CEAEHN COCCNCc1ccccc1N1CCCO[C@H](C)C1 ZINC000062738377 523955326 /nfs/dbraw/zinc/95/53/26/523955326.db2.gz CAKUPRMZZZFUQW-CQSZACIVSA-N 0 3 278.396 2.038 10 0 CEAEHN COCCNCc1cnc(-c2ccc(F)c(C)c2)nc1 ZINC000054856800 523955469 /nfs/dbraw/zinc/95/54/69/523955469.db2.gz FREYMBYXQHXDPH-UHFFFAOYSA-N 0 3 275.327 2.327 10 0 CEAEHN COc1ccc(CN(C)Cc2ccnc(CN)c2)cc1 ZINC000068749841 524007109 /nfs/dbraw/zinc/00/71/09/524007109.db2.gz SMFHJYQNYIUFTP-UHFFFAOYSA-N 0 3 271.364 2.181 10 0 CEAEHN COc1ccc(CN(C)c2ccnc(C(=N)N)c2)cc1 ZINC000061814181 524010811 /nfs/dbraw/zinc/01/08/11/524010811.db2.gz AZONBTRLFOTWDL-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN CN1c2ccc([C@@H](N)[C@@H]3CCCCO3)cc2CCC1=O ZINC000062806388 524033256 /nfs/dbraw/zinc/03/32/56/524033256.db2.gz CGOYSVUSKPCIML-GOEBONIOSA-N 0 3 274.364 2.165 10 0 CEAEHN CN(C)CC(C)(C)CN1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600873 524045875 /nfs/dbraw/zinc/04/58/75/524045875.db2.gz KNPMUVGOKMIQPB-BETUJISGSA-N 0 3 252.402 2.160 10 0 CEAEHN CNC(=O)[C@H](CC(C)C)NCc1ccc2ncccc2c1 ZINC000067503176 524102188 /nfs/dbraw/zinc/10/21/88/524102188.db2.gz GLNRDYMFDHFXAR-INIZCTEOSA-N 0 3 285.391 2.485 10 0 CEAEHN COc1ccc(COCc2ccnc(C(=N)N)c2)cc1 ZINC000068762467 524119017 /nfs/dbraw/zinc/11/90/17/524119017.db2.gz FCIRWPAIBBOLKA-UHFFFAOYSA-N 0 3 271.320 2.091 10 0 CEAEHN Cc1ccc(CCC(=O)N2[C@H](C)CNC[C@H]2C)cc1 ZINC000069132904 524293992 /nfs/dbraw/zinc/29/39/92/524293992.db2.gz PZXHUKKMPVBRJG-ZIAGYGMSSA-N 0 3 260.381 2.136 10 0 CEAEHN C[C@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C[C@@H]1C ZINC000068584809 524367179 /nfs/dbraw/zinc/36/71/79/524367179.db2.gz LVFPHBVDRCMOTR-GMZLATJGSA-N 0 3 290.407 2.203 10 0 CEAEHN Cc1ccc(C[NH3+])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000050430755 524424842 /nfs/dbraw/zinc/42/48/42/524424842.db2.gz OMKFIDUOKGZFAC-UHFFFAOYSA-N 0 3 294.351 2.394 10 0 CEAEHN COc1ccccc1CN(C)c1ncc(CN)s1 ZINC000054897490 524438480 /nfs/dbraw/zinc/43/84/80/524438480.db2.gz UISAAEIGTBTABG-UHFFFAOYSA-N 0 3 263.366 2.247 10 0 CEAEHN C[C@@H](CCC(=O)[O-])[NH+]1CCC(N2CCCCC2)CC1 ZINC000050956747 524441686 /nfs/dbraw/zinc/44/16/86/524441686.db2.gz HHSGVECSVKEOIU-ZDUSSCGKSA-N 0 3 268.401 2.190 10 0 CEAEHN Cc1cccc(N(C)Cc2cccnc2C(=N)N)c1 ZINC000061658361 524520448 /nfs/dbraw/zinc/52/04/48/524520448.db2.gz RKWIAMDKTWAABJ-UHFFFAOYSA-N 0 3 254.337 2.310 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2ccccc2)O1 ZINC000151038668 524551839 /nfs/dbraw/zinc/55/18/39/524551839.db2.gz UMHBTCXHENZIPU-ZBFHGGJFSA-N 0 3 290.407 2.144 10 0 CEAEHN Cc1cccc(NC(=O)CCCN2CCC(O)CC2)c1 ZINC000049537536 524585657 /nfs/dbraw/zinc/58/56/57/524585657.db2.gz XSISFIKWENLFTB-UHFFFAOYSA-N 0 3 276.380 2.170 10 0 CEAEHN COc1ccc(NC(=O)[C@H]2CCC[C@@H](C)N2)cc1C ZINC000049532367 524614929 /nfs/dbraw/zinc/61/49/29/524614929.db2.gz RUSFGFORVYECAM-DGCLKSJQSA-N 0 3 262.353 2.473 10 0 CEAEHN COc1ccccc1NC(=O)[C@H](CN)c1ccccc1 ZINC000061610660 524623316 /nfs/dbraw/zinc/62/33/16/524623316.db2.gz YXAZLJYKGDPTDT-CYBMUJFWSA-N 0 3 270.332 2.376 10 0 CEAEHN Cc1cccc(NS(=O)(=O)C[C@H]2CCCCN2)c1C ZINC000049630903 524689399 /nfs/dbraw/zinc/68/93/99/524689399.db2.gz RKKGOPNKVMLNQB-CYBMUJFWSA-N 0 3 282.409 2.187 10 0 CEAEHN Cc1cccc(SCC[C@H](NC2CC2)C(N)=O)c1 ZINC000062601496 524810023 /nfs/dbraw/zinc/81/00/23/524810023.db2.gz CGXDXILAHISFLY-ZDUSSCGKSA-N 0 3 264.394 2.083 10 0 CEAEHN C[C@H]1C[C@H](C)CN(Cc2ccnc(C(N)=S)c2)C1 ZINC000068751773 524884894 /nfs/dbraw/zinc/88/48/94/524884894.db2.gz HWMMUEWZXATOCT-QWRGUYRKSA-N 0 3 263.410 2.194 10 0 CEAEHN C[C@@H](N)c1ccc(F)cc1OCC(=O)N1CCCCC1 ZINC000062745957 525026225 /nfs/dbraw/zinc/02/62/25/525026225.db2.gz ZMYILJOSXVINTM-LLVKDONJSA-N 0 3 280.343 2.237 10 0 CEAEHN Cc1ccccc1C(=O)CN1CCC[C@@H]1CN(C)C ZINC000061645736 525041340 /nfs/dbraw/zinc/04/13/40/525041340.db2.gz BQVUDGUZSWLCNI-CQSZACIVSA-N 0 3 260.381 2.204 10 0 CEAEHN Cc1cc(N2CC[C@@H](N3CCCC3)C2)ccc1C=O ZINC000062980962 525089603 /nfs/dbraw/zinc/08/96/03/525089603.db2.gz MNCFBIZEGVYGJJ-MRXNPFEDSA-N 0 3 258.365 2.482 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cccc(Br)c1 ZINC000069133436 525101009 /nfs/dbraw/zinc/10/10/09/525101009.db2.gz VEXQDCFNWQHLKR-AOOOYVTPSA-N 0 3 297.196 2.272 10 0 CEAEHN COc1ccc([C@@H](O)[C@@H](N)c2ccccc2)cc1O ZINC000054682767 525208423 /nfs/dbraw/zinc/20/84/23/525208423.db2.gz DRWPUFZMFQRRSB-LSDHHAIUSA-N 0 3 259.305 2.134 10 0 CEAEHN Cc1cc(NC(=O)[C@@H]2NCCC[C@@H]2C)ccc1F ZINC000061120321 525221813 /nfs/dbraw/zinc/22/18/13/525221813.db2.gz RACNWKOYTHWSEX-TVQRCGJNSA-N 0 3 250.317 2.461 10 0 CEAEHN C[C@]1(c2ccccc2)CN(Cc2cccnc2)CCN1 ZINC000068693699 525331490 /nfs/dbraw/zinc/33/14/90/525331490.db2.gz NDPNCWBFRTYAJY-QGZVFWFLSA-N 0 3 267.376 2.402 10 0 CEAEHN COc1ccc([C@H](N)[C@H]2CCCCO2)c(OC)c1OC ZINC000050962776 525364068 /nfs/dbraw/zinc/36/40/68/525364068.db2.gz ARKWOVPVBKRYLO-YPMHNXCESA-N 0 3 281.352 2.281 10 0 CEAEHN Cc1ccc(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)cc1C ZINC000068656038 525469421 /nfs/dbraw/zinc/46/94/21/525469421.db2.gz RGMJISFAUDGXJX-CXAGYDPISA-N 0 3 290.407 2.457 10 0 CEAEHN Cc1cc2ncc(CNCCc3ccc(O)cc3)cn2n1 ZINC000070166285 525681323 /nfs/dbraw/zinc/68/13/23/525681323.db2.gz PTWABGQBBJBRLD-UHFFFAOYSA-N 0 3 282.347 2.076 10 0 CEAEHN Cc1c(CNC2CC2)cnn1[C@H]1CCCCC[C@H]1O ZINC000054600510 525722500 /nfs/dbraw/zinc/72/25/00/525722500.db2.gz KARPVDIJKPVQDU-LSDHHAIUSA-N 0 3 263.385 2.310 10 0 CEAEHN COc1cccc(-c2ncc(CNC3CC3)cn2)c1 ZINC000054856181 525729279 /nfs/dbraw/zinc/72/92/79/525729279.db2.gz TZHOPLRTUQZQNP-UHFFFAOYSA-N 0 3 255.321 2.404 10 0 CEAEHN COc1cccc(CN2CCNC[C@H]2c2ccccc2)n1 ZINC000068696110 525949258 /nfs/dbraw/zinc/94/92/58/525949258.db2.gz KQVKDWHWZIYYOY-INIZCTEOSA-N 0 3 283.375 2.237 10 0 CEAEHN COc1cccc(Cc2nc(C)c(CN)c(C)n2)c1 ZINC000054836898 526085540 /nfs/dbraw/zinc/08/55/40/526085540.db2.gz VPFBPTBICAFJAD-UHFFFAOYSA-N 0 3 257.337 2.152 10 0 CEAEHN Cc1ccc2c(c1)CCCN2S(=O)(=O)CCNC(C)C ZINC000049641327 526146231 /nfs/dbraw/zinc/14/62/31/526146231.db2.gz KMJZEOGNHSHDBC-UHFFFAOYSA-N 0 3 296.436 2.075 10 0 CEAEHN Cc1cc(C(=O)N2[C@H](C)CNC[C@@H]2C)c2ccccc2n1 ZINC000069133352 526263068 /nfs/dbraw/zinc/26/30/68/526263068.db2.gz HTJZINOSOCNWBO-BETUJISGSA-N 0 3 283.375 2.366 10 0 CEAEHN Cc1nn(C[C@@H]2CCCCO2)c(C)c1CNC1CC1 ZINC000054717438 526284973 /nfs/dbraw/zinc/28/49/73/526284973.db2.gz SIHWSPRDQHGKJT-AWEZNQCLSA-N 0 3 263.385 2.321 10 0 CEAEHN Cc1nn(Cc2ccc(F)cc2F)c(C)c1CN ZINC000050885461 526292507 /nfs/dbraw/zinc/29/25/07/526292507.db2.gz QNVHOLZJXYWQMI-UHFFFAOYSA-N 0 3 251.280 2.285 10 0 CEAEHN Fc1ccc(Cc2nccc(CNC3CC3)n2)cc1 ZINC000054791975 526345183 /nfs/dbraw/zinc/34/51/83/526345183.db2.gz MWSBVWQWZSAYGE-UHFFFAOYSA-N 0 3 257.312 2.459 10 0 CEAEHN c1cc(CNC2CC2)c(CN2CCCSCC2)o1 ZINC000052371031 526426472 /nfs/dbraw/zinc/42/64/72/526426472.db2.gz YSBAISURKVDEPI-UHFFFAOYSA-N 0 3 266.410 2.471 10 0 CEAEHN Cc1nc(C)n(-c2ncc(CNC3CC3)cc2Cl)n1 ZINC000051488315 526757592 /nfs/dbraw/zinc/75/75/92/526757592.db2.gz XTFRQFGWOVQJSE-UHFFFAOYSA-N 0 3 277.759 2.185 10 0 CEAEHN N=C(N)c1cc(-n2cc(-c3ccccc3)cn2)ccn1 ZINC000061814445 526819870 /nfs/dbraw/zinc/81/98/70/526819870.db2.gz JZRWAGDZWYQKTA-UHFFFAOYSA-N 0 3 263.304 2.218 10 0 CEAEHN Cc1sc2[nH]c(CNC3CCC3)nc(=O)c2c1C ZINC000052210411 526886596 /nfs/dbraw/zinc/88/65/96/526886596.db2.gz NKLUNLRLMIHWHI-UHFFFAOYSA-N 0 3 263.366 2.244 10 0 CEAEHN Cc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1[C@@H](C)N ZINC000054864242 526973710 /nfs/dbraw/zinc/97/37/10/526973710.db2.gz LIEBUBAMLJQUKE-XHNCKOQMSA-N 0 3 255.387 2.085 10 0 CEAEHN O=S(=O)(C[C@@H]1CCCCN1)Nc1ccc(Cl)cc1 ZINC000049630814 527181325 /nfs/dbraw/zinc/18/13/25/527181325.db2.gz OVGPVVKWVGCUKH-LBPRGKRZSA-N 0 3 288.800 2.224 10 0 CEAEHN [NH3+]CC[C@@H]1CN(C(=O)c2cccc([O-])c2)c2ccccc21 ZINC000063128170 527193179 /nfs/dbraw/zinc/19/31/79/527193179.db2.gz WZNKMPOJALSQOY-CYBMUJFWSA-N 0 3 282.343 2.485 10 0 CEAEHN [NH3+]C[C@@]([O-])(c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000062784402 527220271 /nfs/dbraw/zinc/22/02/71/527220271.db2.gz KYQKCVVVHSSPNZ-MRVPVSSYSA-N 0 3 289.175 2.294 10 0 CEAEHN NC[C@@](O)(c1ccccc1OC(F)(F)F)C(F)(F)F ZINC000062784402 527220275 /nfs/dbraw/zinc/22/02/75/527220275.db2.gz KYQKCVVVHSSPNZ-MRVPVSSYSA-N 0 3 289.175 2.294 10 0 CEAEHN NCc1c2ccccc2oc1COC[C@@H]1CCOC1 ZINC000052704669 527243442 /nfs/dbraw/zinc/24/34/42/527243442.db2.gz QPQYGPQGXGEUCA-LLVKDONJSA-N 0 3 261.321 2.445 10 0 CEAEHN NCc1cc(Cl)ccc1N1CCC(CO)CC1 ZINC000052856639 527248791 /nfs/dbraw/zinc/24/87/91/527248791.db2.gz BEDAFKCTMZEXQY-UHFFFAOYSA-N 0 3 254.761 2.007 10 0 CEAEHN NCc1cc(N2CCC[C@H]2c2ccncc2)ccn1 ZINC000061811583 527249261 /nfs/dbraw/zinc/24/92/61/527249261.db2.gz SWVGBJLRQZCKPW-HNNXBMFYSA-N 0 3 254.337 2.277 10 0 CEAEHN NCc1ccc(CN2CCN(c3ccccc3)CC2)o1 ZINC000052417310 527253582 /nfs/dbraw/zinc/25/35/82/527253582.db2.gz ATUXLIMDMJPRGM-UHFFFAOYSA-N 0 3 271.364 2.061 10 0 CEAEHN NCc1cnn(Cc2cc(F)ccc2Br)c1 ZINC000054716765 527263849 /nfs/dbraw/zinc/26/38/49/527263849.db2.gz XNSIIJSHYMXSGJ-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN NCc1ncccc1Cn1cc(-c2ccccc2)cn1 ZINC000061657142 527267459 /nfs/dbraw/zinc/26/74/59/527267459.db2.gz WKTCKNVUCQZGCY-UHFFFAOYSA-N 0 3 264.332 2.452 10 0 CEAEHN NN=c1cc(C(=O)Nc2cccc3cccnc32)cc[nH]1 ZINC000051089474 527273064 /nfs/dbraw/zinc/27/30/64/527273064.db2.gz GGFRDYIINCLUGO-UHFFFAOYSA-N 0 3 279.303 2.168 10 0 CEAEHN N[C@@H](c1cc(Cl)sc1Cl)[C@H]1COCCO1 ZINC000055299145 527337656 /nfs/dbraw/zinc/33/76/56/527337656.db2.gz YSGRDYIXINLHID-SVRRBLITSA-N 0 3 268.165 2.470 10 0 CEAEHN N[C@@H]1COc2cc(OCCc3ccccn3)ccc21 ZINC000062803650 527375350 /nfs/dbraw/zinc/37/53/50/527375350.db2.gz KACDKQXHDQZMHV-CQSZACIVSA-N 0 3 256.305 2.095 10 0 CEAEHN N[C@H](COC1CCC1)c1ccc2c(c1)OCCCO2 ZINC000050520119 527386715 /nfs/dbraw/zinc/38/67/15/527386715.db2.gz JALANWBSVZRCOJ-CYBMUJFWSA-N 0 3 263.337 2.417 10 0 CEAEHN O=c1[nH]c(NCCN2CCCCC2)cc2ccccc21 ZINC000049575283 527440279 /nfs/dbraw/zinc/44/02/79/527440279.db2.gz KWDMZSSBXPBVCG-UHFFFAOYSA-N 0 3 271.364 2.426 10 0 CEAEHN O=C(Nc1nc(C2CC2)cs1)N1CCN2CCC[C@H]2C1 ZINC000049444072 527505584 /nfs/dbraw/zinc/50/55/84/527505584.db2.gz GYCQFYXFMFQUOF-NSHDSACASA-N 0 3 292.408 2.332 10 0 CEAEHN Cc1nn(C)c(C)c1C(=O)Nc1cc(CN)ccc1C ZINC000050430648 527612034 /nfs/dbraw/zinc/61/20/34/527612034.db2.gz LYEHKKWRVWXSFS-UHFFFAOYSA-N 0 3 272.352 2.056 10 0 CEAEHN Cc1nn(C)c(N(C)C2CC2)c1CNCC(C)C ZINC000062735114 527670586 /nfs/dbraw/zinc/67/05/86/527670586.db2.gz BSBRFHZAGHOXCT-UHFFFAOYSA-N 0 3 250.390 2.073 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nc(CC(C)C)no1 ZINC000175359909 529068736 /nfs/dbraw/zinc/06/87/36/529068736.db2.gz YZQOZUHNMURTNA-CYBMUJFWSA-N 0 3 280.416 2.184 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1F ZINC000262095347 535677552 /nfs/dbraw/zinc/67/75/52/535677552.db2.gz BLJOYGRTXCPUBD-DDTOSNHZSA-N 0 3 282.359 2.145 10 0 CEAEHN CN1C[C@@H](NCc2cccnc2Br)C(C)(C)C1 ZINC000675074981 567024659 /nfs/dbraw/zinc/02/46/59/567024659.db2.gz KNXVLFLWAKKURN-LLVKDONJSA-N 0 3 298.228 2.274 10 0 CEAEHN CC[C@H](CO)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757135260 574826497 /nfs/dbraw/zinc/82/64/97/574826497.db2.gz RUWVQULEBUGBIR-GFCCVEGCSA-N 0 3 295.383 2.053 10 0 CEAEHN N[C@H]1C[C@@H](C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 ZINC000675059433 570365358 /nfs/dbraw/zinc/36/53/58/570365358.db2.gz ILTJYJXTBFTPLV-CBAPKCEASA-N 0 3 299.701 2.448 10 0 CEAEHN CC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@H](C)C1 ZINC000309832224 627951143 /nfs/dbraw/zinc/95/11/43/627951143.db2.gz YVVUKEUDBLEJEU-COPRLGITSA-N 0 3 265.184 2.152 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1ccc(F)cc1F ZINC000312022885 628061492 /nfs/dbraw/zinc/06/14/92/628061492.db2.gz VMTREDCOFDJPRY-SDBXPKJASA-N 0 3 268.307 2.269 10 0 CEAEHN O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000312309549 628226706 /nfs/dbraw/zinc/22/67/06/628226706.db2.gz YXVGAJDMKBAHTE-FQLMCAECSA-N 0 3 270.376 2.036 10 0 CEAEHN Cc1nc(C)c(CN[C@H]2CCC[C@H]2Oc2cnn(C)c2)o1 ZINC000888099112 628868169 /nfs/dbraw/zinc/86/81/69/628868169.db2.gz STPODIHAPHEPCE-UONOGXRCSA-N 0 3 290.367 2.115 10 0 CEAEHN CCSc1cccc(NC(=O)C2(N)CCOCC2)c1 ZINC000261840820 629272277 /nfs/dbraw/zinc/27/22/77/629272277.db2.gz LQWIQGIVPPOAMZ-UHFFFAOYSA-N 0 3 280.393 2.245 10 0 CEAEHN Cc1c(CNC[C@@H](O)c2ccccc2Cl)cnn1C ZINC000229812584 639720019 /nfs/dbraw/zinc/72/00/19/639720019.db2.gz VGVURNVHDAGELX-CQSZACIVSA-N 0 3 279.771 2.205 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C/c2cccs2)C1 ZINC000193686819 640594048 /nfs/dbraw/zinc/59/40/48/640594048.db2.gz ODOBOUKXHLCNSQ-ABZNLYFFSA-N 0 3 264.394 2.362 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccnc(Cl)c2)C1 ZINC000181849349 641600070 /nfs/dbraw/zinc/60/00/70/641600070.db2.gz HYTSRHMTITVYAR-LLVKDONJSA-N 0 3 282.775 2.341 10 0 CEAEHN O[C@@H](CN[C@H]1COc2ccccc21)c1ccccc1 ZINC000070529590 641678671 /nfs/dbraw/zinc/67/86/71/641678671.db2.gz OGVIDILTOUJIJW-GJZGRUSLSA-N 0 3 255.317 2.443 10 0 CEAEHN CNCc1sc(N2CCC[C@H](C)C2)nc1COC ZINC000082447200 178025702 /nfs/dbraw/zinc/02/57/02/178025702.db2.gz JOIVTNCXMZNGDJ-JTQLQIEISA-N 0 3 269.414 2.245 10 0 CEAEHN NC[C@H](O[C@H]1CCOC1)c1cc(Br)cs1 ZINC000082453059 178032029 /nfs/dbraw/zinc/03/20/29/178032029.db2.gz OLJGPGRKRSTFKY-IUCAKERBSA-N 0 3 292.198 2.316 10 0 CEAEHN CN(C)CCN(C)Cc1c(N)cccc1Br ZINC000082539697 178088919 /nfs/dbraw/zinc/08/89/19/178088919.db2.gz SBLNDYWLRDVDRH-UHFFFAOYSA-N 0 3 286.217 2.025 10 0 CEAEHN CC[C@H]1CN(CCc2ccc(C)cc2)CCN1C[C@@H](C)O ZINC000124591402 187145075 /nfs/dbraw/zinc/14/50/75/187145075.db2.gz ISFOZWFMGFSKAX-AEFFLSMTSA-N 0 3 290.451 2.315 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000121254593 365542230 /nfs/dbraw/zinc/54/22/30/365542230.db2.gz TWSNWIKLYBMAOW-GFCCVEGCSA-N 0 3 284.762 2.184 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000121254744 365542370 /nfs/dbraw/zinc/54/23/70/365542370.db2.gz TWSNWIKLYBMAOW-LBPRGKRZSA-N 0 3 284.762 2.184 10 0 CEAEHN CS(=O)(=O)c1ccc([C@@H](N)C2CCCC2)cc1 ZINC000082619736 178128404 /nfs/dbraw/zinc/12/84/04/178128404.db2.gz GFUQDZDQDLLGNZ-ZDUSSCGKSA-N 0 3 253.367 2.280 10 0 CEAEHN Cc1c(Cl)cccc1NC(=O)C1(N)CCOCC1 ZINC000127700701 187327095 /nfs/dbraw/zinc/32/70/95/187327095.db2.gz JPCZYWUUFLORRE-UHFFFAOYSA-N 0 3 268.744 2.095 10 0 CEAEHN CC[C@@H](C)[C@@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939134 361799375 /nfs/dbraw/zinc/79/93/75/361799375.db2.gz OPIVTJSOFLQCET-AMIZOPFISA-N 0 3 261.325 2.380 10 0 CEAEHN CCCCN(C)Cc1cc(N)cc2c1OCOC2 ZINC000034964123 361801671 /nfs/dbraw/zinc/80/16/71/361801671.db2.gz CLJOKONGUNFWSF-UHFFFAOYSA-N 0 3 250.342 2.367 10 0 CEAEHN C[C@](N)(c1nc2cc(Br)cnc2[nH]1)C1CC1 ZINC000082757361 178278356 /nfs/dbraw/zinc/27/83/56/178278356.db2.gz ZIMATGKCXFBHOU-LLVKDONJSA-N 0 3 281.157 2.304 10 0 CEAEHN Cc1nccc(CN[C@@H]2CCc3ccccc3C2)n1 ZINC000037997822 282184149 /nfs/dbraw/zinc/18/41/49/282184149.db2.gz VLGBDVXZQMMASU-OAHLLOKOSA-N 0 3 253.349 2.432 10 0 CEAEHN Cc1cc(Br)cc2c1NC[C@]21C[C@H]1N ZINC000725247300 539192356 /nfs/dbraw/zinc/19/23/56/539192356.db2.gz LXBCVNIIDXHMMF-MWLCHTKSSA-N 0 3 253.143 2.152 10 0 CEAEHN COc1ccc(CN2CCC[C@H](O)[C@H]2C)cc1OC ZINC000294974340 199279329 /nfs/dbraw/zinc/27/93/29/199279329.db2.gz JFXGMWQKRZFHOC-YPMHNXCESA-N 0 3 265.353 2.049 10 0 CEAEHN Cc1nccnc1CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000621726102 349680318 /nfs/dbraw/zinc/68/03/18/349680318.db2.gz JYQVZAZDDNECIZ-FVQBIDKESA-N 0 3 275.396 2.301 10 0 CEAEHN O=C(N[C@H]1CCCNC[C@H]1F)OCc1ccccc1 ZINC000725262006 539209926 /nfs/dbraw/zinc/20/99/26/539209926.db2.gz QPJQHXOAZRHVCN-OLZOCXBDSA-N 0 3 266.316 2.003 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C1 ZINC000246581806 282198151 /nfs/dbraw/zinc/19/81/51/282198151.db2.gz SEIYGTXSCLWZMR-MXASKKJJSA-N 0 3 299.418 2.060 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CCOCC1CC1 ZINC000300404432 539249945 /nfs/dbraw/zinc/24/99/45/539249945.db2.gz XLMHFORZPCKFBB-CVEARBPZSA-N 0 3 266.429 2.362 10 0 CEAEHN CCC(CC)NC(=O)[C@@H](C)N(C)C[C@H]1CCCN1CC ZINC000245481605 282207311 /nfs/dbraw/zinc/20/73/11/282207311.db2.gz YMORMBHTAWFHSE-UKRRQHHQSA-N 0 3 283.460 2.096 10 0 CEAEHN O=C1CC[C@H](CNCc2cc(Cl)cc(Cl)c2)N1 ZINC000079928396 539276647 /nfs/dbraw/zinc/27/66/47/539276647.db2.gz JBBVKWRMDLZXBF-LLVKDONJSA-N 0 3 273.163 2.362 10 0 CEAEHN Cc1cccc([C@@H](N)CN2C(=O)c3ccccc3C2=O)c1 ZINC000041088976 362017725 /nfs/dbraw/zinc/01/77/25/362017725.db2.gz AAHSFOWVKRTGIY-HNNXBMFYSA-N 0 3 280.327 2.291 10 0 CEAEHN CC[C@@H](N)c1nc2cc(Br)cnc2[nH]1 ZINC000043460912 362145129 /nfs/dbraw/zinc/14/51/29/362145129.db2.gz NWHBCVBAHLWRHT-ZCFIWIBFSA-N 0 3 255.119 2.130 10 0 CEAEHN CC[C@@H]([NH3+])c1nc2cc(Br)cnc2[n-]1 ZINC000043460912 362145137 /nfs/dbraw/zinc/14/51/37/362145137.db2.gz NWHBCVBAHLWRHT-ZCFIWIBFSA-N 0 3 255.119 2.130 10 0 CEAEHN CCOCCCN1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000227354720 539299162 /nfs/dbraw/zinc/29/91/62/539299162.db2.gz YMPANZZEQSGVSX-GJZGRUSLSA-N 0 3 254.418 2.362 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2cccc3c2OCCCO3)C1 ZINC000037164072 343426179 /nfs/dbraw/zinc/42/61/79/343426179.db2.gz FOVGOKPPPYJCKW-KBPBESRZSA-N 0 3 277.364 2.241 10 0 CEAEHN Cn1c(=O)c2c([nH]c1=S)CCN(Cc1ccccc1)C2 ZINC000038683113 343434348 /nfs/dbraw/zinc/43/43/48/343434348.db2.gz ZEWQSKCKLAHHIQ-UHFFFAOYSA-N 0 3 287.388 2.413 10 0 CEAEHN CCOC(C)(C)CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000159244200 136391916 /nfs/dbraw/zinc/39/19/16/136391916.db2.gz SKKFKKRDLUUGEG-CYBMUJFWSA-N 0 3 276.380 2.499 10 0 CEAEHN O=C(CCN1CCO[C@@H]2CCCC[C@H]21)NC1CCCC1 ZINC000062640508 343672423 /nfs/dbraw/zinc/67/24/23/343672423.db2.gz ZLNPTKYTBUOMDH-HUUCEWRRSA-N 0 3 280.412 2.079 10 0 CEAEHN C[C@H](Cc1ccsc1)NC(=O)[C@@]1(C)CCCCN1 ZINC000136179426 344384098 /nfs/dbraw/zinc/38/40/98/344384098.db2.gz KJQVEDYQWPOIOI-BXUZGUMPSA-N 0 3 266.410 2.328 10 0 CEAEHN CN(C)[C@@H](CN)c1ccc(Br)c(F)c1 ZINC000161345042 344463552 /nfs/dbraw/zinc/46/35/52/344463552.db2.gz LCEXQKHCKADNNU-JTQLQIEISA-N 0 3 261.138 2.150 10 0 CEAEHN C[C@H](CN(C)C)Nc1ncc(Br)cc1F ZINC000235452531 344591135 /nfs/dbraw/zinc/59/11/35/344591135.db2.gz LSKKTIBNJLCTLX-SSDOTTSWSA-N 0 3 276.153 2.345 10 0 CEAEHN N[C@H](CC1OCCO1)c1sccc1Br ZINC000236317436 344595389 /nfs/dbraw/zinc/59/53/89/344595389.db2.gz PZVSMRBACHRKQE-SSDOTTSWSA-N 0 3 278.171 2.273 10 0 CEAEHN Nc1nc(-c2ccc(I)cc2)c[nH]1 ZINC000236362969 344595543 /nfs/dbraw/zinc/59/55/43/344595543.db2.gz ULLKFALDJSGGEJ-UHFFFAOYSA-N 0 3 285.088 2.264 10 0 CEAEHN N=C(Nc1cnn(Cc2ccccc2)c1)NC1CC1 ZINC000307025431 344719563 /nfs/dbraw/zinc/71/95/63/344719563.db2.gz XBRTWIOQCVNQHF-UHFFFAOYSA-N 0 3 255.325 2.030 10 0 CEAEHN CCN[C@H](C[S@](=O)CCOC)c1ccc(OCC)cc1 ZINC000084036421 178776910 /nfs/dbraw/zinc/77/69/10/178776910.db2.gz INVMTMLLKXUETB-QRWLVFNGSA-N 0 3 299.436 2.131 10 0 CEAEHN CCc1ccc([C@H](N)C[S@@](=O)C2CCOCC2)cc1 ZINC000084054377 178779289 /nfs/dbraw/zinc/77/92/89/178779289.db2.gz ZLFNWFNENYCAKB-BEFAXECRSA-N 0 3 281.421 2.177 10 0 CEAEHN COc1ccc(C[C@@H](N)C(=O)NC2CCCCC2)cc1 ZINC000584595900 344961351 /nfs/dbraw/zinc/96/13/51/344961351.db2.gz JRQZKBNSRFVVDP-OAHLLOKOSA-N 0 3 276.380 2.014 10 0 CEAEHN Brc1ccc([C@H]2O[C@@H]3CN[C@H]2C3)cc1 ZINC000584626868 344968881 /nfs/dbraw/zinc/96/88/81/344968881.db2.gz DSVKOTGRDBKALE-GARJFASQSA-N 0 3 254.127 2.251 10 0 CEAEHN CN[C@H](C)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000054075084 362510497 /nfs/dbraw/zinc/51/04/97/362510497.db2.gz XCUVFJHUZVCWOF-UWJCENJNSA-N 0 3 264.413 2.269 10 0 CEAEHN CCN[C@H](c1cnn(C)c1C)c1ccc(OC)c(OC)c1 ZINC000097078294 185522692 /nfs/dbraw/zinc/52/26/92/185522692.db2.gz LIPYUTSMLLGCAE-INIZCTEOSA-N 0 3 289.379 2.445 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)Sc1cccc(OC)c1)C(N)=O ZINC000084346533 178860639 /nfs/dbraw/zinc/86/06/39/178860639.db2.gz HISQKVRRYGRPHA-YGRLFVJLSA-N 0 3 282.409 2.029 10 0 CEAEHN Cc1c([C@H](N)c2cccc3cnccc32)cnn1C ZINC000097123987 185540929 /nfs/dbraw/zinc/54/09/29/185540929.db2.gz LRCHVYCKLGQJPH-OAHLLOKOSA-N 0 3 252.321 2.325 10 0 CEAEHN C[C@@H]1CC(OC[C@](NC2CC2)(C(N)=O)C2CC2)C[C@@H](C)C1 ZINC000084963293 178935276 /nfs/dbraw/zinc/93/52/76/178935276.db2.gz QMLCJKIEMBANSR-NVGCLXPQSA-N 0 3 294.439 2.214 10 0 CEAEHN Cc1nc(C)c(C(=O)N[C@H](CN(C)C)c2ccccc2)o1 ZINC000173722963 232282505 /nfs/dbraw/zinc/28/25/05/232282505.db2.gz MDFHHLSQDPCOIH-CQSZACIVSA-N 0 3 287.363 2.324 10 0 CEAEHN CNC(=O)CCN[C@H](C)c1cnc2ccsc2c1 ZINC000085433872 179060879 /nfs/dbraw/zinc/06/08/79/179060879.db2.gz WJEKMAXAAPPQLY-SECBINFHSA-N 0 3 263.366 2.083 10 0 CEAEHN CCc1ccc([C@@H](C)NCC(=O)NC2CCOCC2)cc1 ZINC000062768600 362723018 /nfs/dbraw/zinc/72/30/18/362723018.db2.gz KZFYICIQCDDQJP-CYBMUJFWSA-N 0 3 290.407 2.195 10 0 CEAEHN c1cncc(CCN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000178039196 542248655 /nfs/dbraw/zinc/24/86/55/542248655.db2.gz ZXHKPYHTKWWSSP-MRXNPFEDSA-N 0 3 269.348 2.172 10 0 CEAEHN CN1CCC[C@H](n2c3c(nc2C(C)(C)C)CNCC3)C1 ZINC000085572141 179097074 /nfs/dbraw/zinc/09/70/74/179097074.db2.gz HRGGAZWSDOUBBM-LBPRGKRZSA-N 0 3 276.428 2.093 10 0 CEAEHN CCN1CCC[C@@H](n2c3c(nc2C(C)(C)C)CNCC3)C1 ZINC000085572792 179098387 /nfs/dbraw/zinc/09/83/87/179098387.db2.gz SCRMBBQXFNQEJD-CYBMUJFWSA-N 0 3 290.455 2.483 10 0 CEAEHN CN1CC[C@@H](n2c3c(nc2C2CCCC2)CNCC3)C1 ZINC000085607097 179101743 /nfs/dbraw/zinc/10/17/43/179101743.db2.gz ICLLHNOCNDJQIJ-CYBMUJFWSA-N 0 3 274.412 2.063 10 0 CEAEHN Cc1cc(Cl)cc(CNC[C@@H]2CN(C)CCO2)c1 ZINC000339228988 215026893 /nfs/dbraw/zinc/02/68/93/215026893.db2.gz GAXXWWQHOUCPPE-CQSZACIVSA-N 0 3 268.788 2.069 10 0 CEAEHN OC1(CN2CCN(c3cccc(Cl)c3)CC2)CCC1 ZINC000336800738 365831126 /nfs/dbraw/zinc/83/11/26/365831126.db2.gz NLKSNOOCMBGEHD-UHFFFAOYSA-N 0 3 280.799 2.377 10 0 CEAEHN CCCNCC(=O)Nc1ccc(Br)c(C)n1 ZINC000085729092 179131717 /nfs/dbraw/zinc/13/17/17/179131717.db2.gz ZWBVAZOCMRAKRU-UHFFFAOYSA-N 0 3 286.173 2.091 10 0 CEAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)[C@@H]1CCCO1 ZINC000336816843 365858945 /nfs/dbraw/zinc/85/89/45/365858945.db2.gz NOMNIVKBFYYXBO-IMJJTQAJSA-N 0 3 262.397 2.446 10 0 CEAEHN COC(=O)c1ccccc1CNC[C@@H]1CCCC[C@@H]1O ZINC000085977766 179208802 /nfs/dbraw/zinc/20/88/02/179208802.db2.gz XLPXFQIIALMVGH-ZFWWWQNUSA-N 0 3 277.364 2.114 10 0 CEAEHN CN(C)Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000085982795 179210244 /nfs/dbraw/zinc/21/02/44/179210244.db2.gz YXPAQRUNYIJLLK-HZPDHXFCSA-N 0 3 290.407 2.029 10 0 CEAEHN Cc1cc(C)c(C)c([C@H](N)[C@H]2CCS(=O)(=O)C2)c1C ZINC000086019950 179217849 /nfs/dbraw/zinc/21/78/49/179217849.db2.gz QSJLASFSZAKFBG-DZGCQCFKSA-N 0 3 281.421 2.355 10 0 CEAEHN CCC(CC)N1C(=O)C[C@H](NCC2CCCC2)C1=O ZINC000102670224 185785347 /nfs/dbraw/zinc/78/53/47/185785347.db2.gz QPHHIJFOIPSNAZ-ZDUSSCGKSA-N 0 3 266.385 2.082 10 0 CEAEHN CC[C@H]1CC[C@H](NC(=O)[C@@H](N)CCSC)[C@@H]1C ZINC000086093978 179228780 /nfs/dbraw/zinc/22/87/80/179228780.db2.gz HGZGCNLDWDFNNR-RHYQMDGZSA-N 0 3 258.431 2.008 10 0 CEAEHN Cc1nccc(CN2C[C@@H](c3ccccc3)NC[C@@H]2C)n1 ZINC000086260184 179259178 /nfs/dbraw/zinc/25/91/78/179259178.db2.gz RBFDQZHOTAEWMK-GUYCJALGSA-N 0 3 282.391 2.320 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)[C@H](CC)CN1 ZINC000086447176 179296011 /nfs/dbraw/zinc/29/60/11/179296011.db2.gz RCQXXKDZAZUMGE-HUUCEWRRSA-N 0 3 290.407 2.227 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3c[nH]nc3c2)[C@@H](CC)CN1 ZINC000086446236 179295121 /nfs/dbraw/zinc/29/51/21/179295121.db2.gz HWQYHDKLKAWDJJ-KGLIPLIRSA-N 0 3 286.379 2.166 10 0 CEAEHN N[C@H]1COC[C@H]1c1nc2ccc(Cl)cc2s1 ZINC000086480051 179300727 /nfs/dbraw/zinc/30/07/27/179300727.db2.gz BGHOINTWAKXFPI-SFYZADRCSA-N 0 3 254.742 2.391 10 0 CEAEHN COC[C@H](C)N(C)[C@@H](CN)c1ccc(OC)c(Cl)c1 ZINC000086594970 179310900 /nfs/dbraw/zinc/31/09/00/179310900.db2.gz LKZKLDQXUDUOOA-GWCFXTLKSA-N 0 3 286.803 2.315 10 0 CEAEHN CN1CC[C@@H](CNc2nc(Cl)ncc2Cl)C1 ZINC000086621960 179311494 /nfs/dbraw/zinc/31/14/94/179311494.db2.gz OMYLKTPQGHVPIF-ZETCQYMHSA-N 0 3 261.156 2.147 10 0 CEAEHN C[C@H](Cc1ccsc1)N[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675575 179318264 /nfs/dbraw/zinc/31/82/64/179318264.db2.gz CDNUJMDLLKWANJ-RTXFEEFZSA-N 0 3 287.450 2.234 10 0 CEAEHN C[C@@H]1CCC[C@H](N(C)Cc2c[nH]c(=NN)s2)C1 ZINC000086767514 179325593 /nfs/dbraw/zinc/32/55/93/179325593.db2.gz QZWAVAKLXLGLQZ-ZJUUUORDSA-N 0 3 254.403 2.439 10 0 CEAEHN CC[C@](C)(N)C(=O)NCc1cc(Br)cs1 ZINC000086807270 179339111 /nfs/dbraw/zinc/33/91/11/179339111.db2.gz UUIUZGIWTDLCNW-JTQLQIEISA-N 0 3 291.214 2.254 10 0 CEAEHN COCCN[C@]1(c2nc(C)c(C)s2)CCCN(C)CC1 ZINC000086833787 179349774 /nfs/dbraw/zinc/34/97/74/179349774.db2.gz RNEBFFZCNXHMBC-OAHLLOKOSA-N 0 3 297.468 2.307 10 0 CEAEHN CCc1nnc(CNC2C3CC4CC(C3)CC2C4)n1C ZINC000339393970 215142568 /nfs/dbraw/zinc/14/25/68/215142568.db2.gz SDSMRZIOTKPXRS-UHFFFAOYSA-N 0 3 274.412 2.292 10 0 CEAEHN CCn1cc([C@@H](NC)[C@H]2CSCCS2)cn1 ZINC000086985070 179373772 /nfs/dbraw/zinc/37/37/72/179373772.db2.gz PHCYIZYZDVMARU-GHMZBOCLSA-N 0 3 257.428 2.012 10 0 CEAEHN CCC(O)(CC)CN[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000087014742 179380199 /nfs/dbraw/zinc/38/01/99/179380199.db2.gz LTCUEDHAOMUVMP-NSHDSACASA-N 0 3 292.379 2.219 10 0 CEAEHN CCC(O)(CC)CNCC(=O)Nc1cccc(C)c1 ZINC000087028543 179381633 /nfs/dbraw/zinc/38/16/33/179381633.db2.gz UZYMTEAEXJKQHM-UHFFFAOYSA-N 0 3 264.369 2.074 10 0 CEAEHN CC[C@](C)(O)CNCC(=O)Nc1cc(Cl)ccc1C ZINC000087028038 179381748 /nfs/dbraw/zinc/38/17/48/179381748.db2.gz HNGHFKGQWNLNEK-AWEZNQCLSA-N 0 3 284.787 2.338 10 0 CEAEHN CCCNCc1cnc([C@H]2CSCCO2)s1 ZINC000086989821 179374505 /nfs/dbraw/zinc/37/45/05/179374505.db2.gz IQDLZMZIBPYVOD-SNVBAGLBSA-N 0 3 258.412 2.447 10 0 CEAEHN N[C@H]1CCCc2sc([C@H]3CSCCO3)nc21 ZINC000086989898 179374805 /nfs/dbraw/zinc/37/48/05/179374805.db2.gz OAJPVJVZNQXKER-JGVFFNPUSA-N 0 3 256.396 2.284 10 0 CEAEHN COc1ccc([C@H](CN)N(C)Cc2cscn2)cc1F ZINC000086991979 179375331 /nfs/dbraw/zinc/37/53/31/179375331.db2.gz NXTBEMRGISVUGI-ZDUSSCGKSA-N 0 3 295.383 2.423 10 0 CEAEHN CCN1C(=O)CCC[C@H](N)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995305 179375942 /nfs/dbraw/zinc/37/59/42/179375942.db2.gz JSXPTMZAGKEERH-WFASDCNBSA-N 0 3 280.343 2.235 10 0 CEAEHN CC1CCC(O)(CNCC(=O)Nc2cccc(F)c2)CC1 ZINC000087061808 179389240 /nfs/dbraw/zinc/38/92/40/179389240.db2.gz QJBXHQMBSCDDJR-UHFFFAOYSA-N 0 3 294.370 2.295 10 0 CEAEHN CC[C@H]1CNC[C@@](C)(Cc2ccc(OC)c(OC)c2)O1 ZINC000087090227 179394255 /nfs/dbraw/zinc/39/42/55/179394255.db2.gz VRRKSFRNKFXELL-XJKSGUPXSA-N 0 3 279.380 2.403 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2ccc(OC)cc2OC)O1 ZINC000087090340 179394332 /nfs/dbraw/zinc/39/43/32/179394332.db2.gz HPADKTXUECYTIM-QMTHXVAHSA-N 0 3 251.326 2.143 10 0 CEAEHN COCCNCc1cnc(CSC(C)(C)C)nc1 ZINC000087119928 179395409 /nfs/dbraw/zinc/39/54/09/179395409.db2.gz GANIWJCITUBNBG-UHFFFAOYSA-N 0 3 269.414 2.244 10 0 CEAEHN COc1cccc(CNC[C@@]2(O)CCC[C@@H](C)C2)n1 ZINC000087064088 179389975 /nfs/dbraw/zinc/38/99/75/179389975.db2.gz YHWKXGTUSOKKAK-IUODEOHRSA-N 0 3 264.369 2.121 10 0 CEAEHN C[C@@H]1CCC[C@](N)(C(=O)NCC2(O)CCC(C)(C)CC2)C1 ZINC000087068906 179391255 /nfs/dbraw/zinc/39/12/55/179391255.db2.gz NQEWNPRGRKLKAK-CXAGYDPISA-N 0 3 296.455 2.342 10 0 CEAEHN CC1(C)CCC(O)(CN2CCC[C@H](NC3CC3)C2=O)CC1 ZINC000087071267 179391309 /nfs/dbraw/zinc/39/13/09/179391309.db2.gz UBZYKRMBASZPKK-AWEZNQCLSA-N 0 3 294.439 2.061 10 0 CEAEHN CN1CC[C@](O)(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000087166275 179398774 /nfs/dbraw/zinc/39/87/74/179398774.db2.gz LXHSBEMNEGDPBY-LBPRGKRZSA-N 0 3 259.271 2.315 10 0 CEAEHN C[C@@H]1CCN[C@@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000335600312 212312668 /nfs/dbraw/zinc/31/26/68/212312668.db2.gz IXUDXEAUYTZOKE-DGCLKSJQSA-N 0 3 293.436 2.237 10 0 CEAEHN CCN[C@H](COC)Cc1nc(CSC(C)(C)C)no1 ZINC000087120505 179396141 /nfs/dbraw/zinc/39/61/41/179396141.db2.gz OAGPYSZXGGYBCZ-JTQLQIEISA-N 0 3 287.429 2.268 10 0 CEAEHN Brc1ccc(CN[C@H]2C[C@H]3CC[C@@H]2O3)nc1 ZINC000087689768 179470370 /nfs/dbraw/zinc/47/03/70/179470370.db2.gz DHKXYABWGDSOKZ-WOPDTQHZSA-N 0 3 283.169 2.254 10 0 CEAEHN CCOC(=O)C[C@@H](NC)c1ccccc1OCC ZINC000087547674 179442946 /nfs/dbraw/zinc/44/29/46/179442946.db2.gz DQPFLKJUMIORSF-GFCCVEGCSA-N 0 3 251.326 2.299 10 0 CEAEHN CC(C)(C)N1CCN[C@@H](c2cccc3ccnnc32)C1 ZINC000616632333 348541577 /nfs/dbraw/zinc/54/15/77/348541577.db2.gz MUEWAEXZUVARCX-CQSZACIVSA-N 0 3 270.380 2.375 10 0 CEAEHN CC[C@@H]1COCCCN1CCNC(=O)OC(C)(C)C ZINC000616644796 348545599 /nfs/dbraw/zinc/54/55/99/348545599.db2.gz HPUUUTNNCOWBTR-GFCCVEGCSA-N 0 3 272.389 2.012 10 0 CEAEHN c1ccc(CN2CCOC[C@@H](c3cncnc3)C2)cc1 ZINC000616659977 348552182 /nfs/dbraw/zinc/55/21/82/348552182.db2.gz LPQAQMIRDWTOJR-INIZCTEOSA-N 0 3 269.348 2.093 10 0 CEAEHN CC(C)N1CCOCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616655804 348550131 /nfs/dbraw/zinc/55/01/31/348550131.db2.gz CRSWSFUGFCPKTG-CYBMUJFWSA-N 0 3 286.416 2.401 10 0 CEAEHN CCN1CCOC[C@H](c2ccccc2NC(C)=O)C1 ZINC000616594305 348528180 /nfs/dbraw/zinc/52/81/80/348528180.db2.gz NTRPGLFWKBPQPD-CYBMUJFWSA-N 0 3 262.353 2.081 10 0 CEAEHN OCCN1CCC(c2ccc3cccnc3c2)CC1 ZINC000616619971 348536345 /nfs/dbraw/zinc/53/63/45/348536345.db2.gz TUKCARSHJQWTMB-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN N[C@H]1CC(=O)N(c2cc(Cl)ccc2Br)C1 ZINC000088123515 179552015 /nfs/dbraw/zinc/55/20/15/179552015.db2.gz JLZPZEYJJVNFLZ-ZETCQYMHSA-N 0 3 289.560 2.167 10 0 CEAEHN c1cc([C@H]2COCCN(Cc3ccccc3)C2)on1 ZINC000616663529 348553577 /nfs/dbraw/zinc/55/35/77/348553577.db2.gz QTYIBKCSKWANTL-CQSZACIVSA-N 0 3 258.321 2.291 10 0 CEAEHN c1ccc(CN2CCOC[C@H](c3cncnc3)C2)cc1 ZINC000616662768 348553713 /nfs/dbraw/zinc/55/37/13/348553713.db2.gz LPQAQMIRDWTOJR-MRXNPFEDSA-N 0 3 269.348 2.093 10 0 CEAEHN CC[C@](C)(O)CN1CCN(c2ccccc2F)C[C@H]1C ZINC000249069966 539654699 /nfs/dbraw/zinc/65/46/99/539654699.db2.gz KTFAZBPFXWZXQJ-CJNGLKHVSA-N 0 3 280.387 2.497 10 0 CEAEHN CCN(C)c1ccc(CN2CCC[C@H]2Cn2ccnc2)cn1 ZINC000248881802 539654031 /nfs/dbraw/zinc/65/40/31/539654031.db2.gz POMQYYPDZYOEBI-INIZCTEOSA-N 0 3 299.422 2.399 10 0 CEAEHN Cc1cc(C)c(S(=O)(=O)N(C)CCC(C)C)cc1CN ZINC000088991362 179690427 /nfs/dbraw/zinc/69/04/27/179690427.db2.gz UPJSGNAOVARPTB-UHFFFAOYSA-N 0 3 298.452 2.429 10 0 CEAEHN CCc1cc(CN2CCNCc3ccccc32)n(C)n1 ZINC000089188445 179747813 /nfs/dbraw/zinc/74/78/13/179747813.db2.gz POUTWMDVAUHOER-UHFFFAOYSA-N 0 3 270.380 2.092 10 0 CEAEHN OC[C@@H]1CCCC[C@H]1CNCc1cn2ccccc2n1 ZINC000089503151 179806124 /nfs/dbraw/zinc/80/61/24/179806124.db2.gz MEBLZIOWRGHQHL-KBPBESRZSA-N 0 3 273.380 2.223 10 0 CEAEHN CCCN1C(=O)CCC[C@H](N)[C@H]1c1cncn1C(C)C ZINC000090209273 179933863 /nfs/dbraw/zinc/93/38/63/179933863.db2.gz FFCVYNNSKKUVJU-WFASDCNBSA-N 0 3 278.400 2.255 10 0 CEAEHN COc1ccc([C@H]2CSCCCN2)c(OC)c1 ZINC000090344155 179969305 /nfs/dbraw/zinc/96/93/05/179969305.db2.gz AUPFSQFVOCWRAB-GFCCVEGCSA-N 0 3 253.367 2.471 10 0 CEAEHN CC(C)c1ccc(NC(=O)[C@@]2(C)COC[C@H]2N)cc1 ZINC000090580641 180008573 /nfs/dbraw/zinc/00/85/73/180008573.db2.gz FCUMTLNRVWARAN-HIFRSBDPSA-N 0 3 262.353 2.112 10 0 CEAEHN CC(C)(C)c1ccc(NC(=O)[C@@]2(C)COC[C@@H]2N)cc1 ZINC000090580322 180008751 /nfs/dbraw/zinc/00/87/51/180008751.db2.gz KYLHPDZVCJSDRX-BBRMVZONSA-N 0 3 276.380 2.286 10 0 CEAEHN CCN(Cc1ccccc1Cl)C(=O)[C@@]1(C)COC[C@H]1N ZINC000090592311 180010285 /nfs/dbraw/zinc/01/02/85/180010285.db2.gz OQEXHZWMHXHDEE-HIFRSBDPSA-N 0 3 296.798 2.052 10 0 CEAEHN CC(C)COc1cccc(NC(=O)[C@@]2(C)COC[C@@H]2N)c1 ZINC000090589869 180010388 /nfs/dbraw/zinc/01/03/88/180010388.db2.gz RHLBXCPZFZPYQT-HOCLYGCPSA-N 0 3 292.379 2.024 10 0 CEAEHN O=C1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000090659419 180018730 /nfs/dbraw/zinc/01/87/30/180018730.db2.gz UZIGZOHDCVAYFE-UHFFFAOYSA-N 0 3 272.392 2.316 10 0 CEAEHN COc1cc(NC[C@@H](C)N2CCCCC2)nc(C)n1 ZINC000090791945 180042706 /nfs/dbraw/zinc/04/27/06/180042706.db2.gz WWYNEXCRAHBTFB-LLVKDONJSA-N 0 3 264.373 2.080 10 0 CEAEHN CCOc1ncnc(N[C@H](C)CN2CCCCC2)c1C ZINC000090791065 180042973 /nfs/dbraw/zinc/04/29/73/180042973.db2.gz SBURJZCQAILVCV-GFCCVEGCSA-N 0 3 278.400 2.470 10 0 CEAEHN C[C@H](CN[C@H]1CSCc2ccccc21)[S@](C)=O ZINC000090842875 180044784 /nfs/dbraw/zinc/04/47/84/180044784.db2.gz UFGOYOPKLHCWKD-ANTHHZPCSA-N 0 3 269.435 2.331 10 0 CEAEHN CC(C)NCc1nccn1C[C@@H]1Cc2ccccc2O1 ZINC000090876352 180052155 /nfs/dbraw/zinc/05/21/55/180052155.db2.gz FUPAAGJRDWANNA-AWEZNQCLSA-N 0 3 271.364 2.385 10 0 CEAEHN OCCN(C[C@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000090900901 180059123 /nfs/dbraw/zinc/05/91/23/180059123.db2.gz LBJBWYIFLYZJIX-CYBMUJFWSA-N 0 3 267.756 2.100 10 0 CEAEHN Cc1cc(C)c([C@@H](N)CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906102 180061218 /nfs/dbraw/zinc/06/12/18/180061218.db2.gz PVRBJWVOZSVZSM-XHSDSOJGSA-N 0 3 274.408 2.475 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H]1CCCC[C@H]1O ZINC000090960597 180075310 /nfs/dbraw/zinc/07/53/10/180075310.db2.gz JNROMQMIYKCFHY-CMPLNLGQSA-N 0 3 268.382 2.100 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@H]1CCC[C@H](O)C1 ZINC000090962098 180076122 /nfs/dbraw/zinc/07/61/22/180076122.db2.gz VZQWXKOUEIYILK-KBPBESRZSA-N 0 3 262.353 2.038 10 0 CEAEHN CC(=O)Nc1ccccc1CNC[C@@H]1CCCCN1C ZINC000090962467 180077338 /nfs/dbraw/zinc/07/73/38/180077338.db2.gz NDSJCAIIQRMVLB-HNNXBMFYSA-N 0 3 275.396 2.219 10 0 CEAEHN COC[C@H](NCc1ccccc1NC(C)=O)C(C)C ZINC000090962821 180077354 /nfs/dbraw/zinc/07/73/54/180077354.db2.gz ADWXMHZUKCGQSQ-HNNXBMFYSA-N 0 3 264.369 2.406 10 0 CEAEHN NCc1ccccc1NC(=O)[C@H]1Cc2ccccc21 ZINC000090985573 180080884 /nfs/dbraw/zinc/08/08/84/180080884.db2.gz RYNMBVYLYUQYIU-AWEZNQCLSA-N 0 3 252.317 2.424 10 0 CEAEHN CCn1nc(Cn2cccc2CN)c2ccccc21 ZINC000090995148 180082769 /nfs/dbraw/zinc/08/27/69/180082769.db2.gz HNNHNYZSIRZCEV-UHFFFAOYSA-N 0 3 254.337 2.365 10 0 CEAEHN COCCNCc1ccn(CCOCCC(C)C)c1 ZINC000091004649 180084212 /nfs/dbraw/zinc/08/42/12/180084212.db2.gz DACJAVHHDOZAGD-UHFFFAOYSA-N 0 3 268.401 2.287 10 0 CEAEHN CCOCc1ccccc1NC(=O)C[C@H]1CSCCN1 ZINC000091134604 180103679 /nfs/dbraw/zinc/10/36/79/180103679.db2.gz ZGQCCORQJITWQP-ZDUSSCGKSA-N 0 3 294.420 2.257 10 0 CEAEHN CCN(CC[C@@H]1CNCCO1)c1ccc(F)cc1 ZINC000091314104 180133932 /nfs/dbraw/zinc/13/39/32/180133932.db2.gz LBVQOEYSMTWBQM-CQSZACIVSA-N 0 3 252.333 2.031 10 0 CEAEHN c1ccc2c(c1)CCCCN2CC[C@@H]1CNCCO1 ZINC000091314342 180134086 /nfs/dbraw/zinc/13/40/86/180134086.db2.gz AZGHBMYPPRXCCJ-OAHLLOKOSA-N 0 3 260.381 2.208 10 0 CEAEHN COc1ccc(C)cc1[C@@H](N)CSC[C@H](C)CO ZINC000091260610 180116195 /nfs/dbraw/zinc/11/61/95/180116195.db2.gz SRRDPCOJWJNJBD-YPMHNXCESA-N 0 3 269.410 2.365 10 0 CEAEHN c1cn([C@@H]2CCC[C@@H]2NCc2cncn2C2CC2)cn1 ZINC000091275119 180119253 /nfs/dbraw/zinc/11/92/53/180119253.db2.gz ARJJKRBIRFYVGO-LSDHHAIUSA-N 0 3 271.368 2.298 10 0 CEAEHN C[C@@H]1CC[C@@H](C)N([C@@H](CN)c2cncn2C2CC2)C1 ZINC000091276680 180119572 /nfs/dbraw/zinc/11/95/72/180119572.db2.gz NBYDAZBTMHNWER-BZPMIXESSA-N 0 3 262.401 2.338 10 0 CEAEHN CC(C)n1c(C[C@H]2CNCCO2)nc2ccccc21 ZINC000091293176 180124371 /nfs/dbraw/zinc/12/43/71/180124371.db2.gz UURLRTQJSKBMBY-LBPRGKRZSA-N 0 3 259.353 2.148 10 0 CEAEHN Cc1ncccc1NC(=O)[C@H](CN)Cc1ccccc1 ZINC000091496133 180171475 /nfs/dbraw/zinc/17/14/75/180171475.db2.gz VVMWFZWJLSZTIC-AWEZNQCLSA-N 0 3 269.348 2.146 10 0 CEAEHN Cc1ccc2c(CN(C)CC3CC(O)C3)cc(=O)oc2c1 ZINC000091498935 180173955 /nfs/dbraw/zinc/17/39/55/180173955.db2.gz VYSICTMGXXURAK-UHFFFAOYSA-N 0 3 287.359 2.304 10 0 CEAEHN NCc1cncc(N(Cc2cccs2)C2CC2)n1 ZINC000091420955 180150897 /nfs/dbraw/zinc/15/08/97/180150897.db2.gz ZFQCVLLHHJYRID-UHFFFAOYSA-N 0 3 260.366 2.166 10 0 CEAEHN CN[C@H](c1cnccn1)C(C)(C)N1CCCCCC1 ZINC000091568158 180195003 /nfs/dbraw/zinc/19/50/03/180195003.db2.gz UHABXNPKAMYVRE-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@](C)([C@H](NC)c1cc(Cl)cnc1N)N(C)C ZINC000091570341 180195437 /nfs/dbraw/zinc/19/54/37/180195437.db2.gz WYMWOINVSYWYJU-DGCLKSJQSA-N 0 3 270.808 2.308 10 0 CEAEHN CCCn1nccc1[C@@H](NC)[C@](C)(CC)N(C)C ZINC000091570499 180195599 /nfs/dbraw/zinc/19/55/99/180195599.db2.gz QXAJHAKRUCKSKO-KGLIPLIRSA-N 0 3 252.406 2.284 10 0 CEAEHN CCCn1ncnc1CC(=O)[C@](C)(CC)N(CC)CC ZINC000091572679 180196261 /nfs/dbraw/zinc/19/62/61/180196261.db2.gz UWXCZQZXERYJPT-HNNXBMFYSA-N 0 3 280.416 2.310 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cccc(F)c1)N1CCOCC1 ZINC000091611905 180206837 /nfs/dbraw/zinc/20/68/37/180206837.db2.gz XRQRLPINLNCCPW-CABCVRRESA-N 0 3 266.360 2.326 10 0 CEAEHN CCN[C@@H](c1ccoc1)[C@](C)(CC)N1CCOCC1 ZINC000091612983 180207063 /nfs/dbraw/zinc/20/70/63/180207063.db2.gz NMIIJGGWIZPIEL-GJZGRUSLSA-N 0 3 266.385 2.431 10 0 CEAEHN COc1ccc(OC)c([C@@H](O)C(C)(C)N(C)C)c1 ZINC000091528321 180179672 /nfs/dbraw/zinc/17/96/72/180179672.db2.gz PLMLXGAYPBFCFZ-CYBMUJFWSA-N 0 3 253.342 2.077 10 0 CEAEHN CCN[C@H](c1cncnc1)C(C)(C)N(CC)CC ZINC000091531308 180180282 /nfs/dbraw/zinc/18/02/82/180180282.db2.gz RGSQTIFCKOWIMR-CYBMUJFWSA-N 0 3 250.390 2.248 10 0 CEAEHN CCN[C@@H](c1nccn1C)C(C)(C)N(CC)CC ZINC000091531426 180180889 /nfs/dbraw/zinc/18/08/89/180180889.db2.gz SMZFCHFZNYZPRE-LBPRGKRZSA-N 0 3 252.406 2.191 10 0 CEAEHN CCCN[C@H](c1nccn1C)C1(N(C)C)CCCC1 ZINC000091638330 180212363 /nfs/dbraw/zinc/21/23/63/180212363.db2.gz AIIIEVTXRXQCKG-CYBMUJFWSA-N 0 3 264.417 2.335 10 0 CEAEHN O=C([C@@H]1CCOC1)C1(N2CCCCC2)CCCC1 ZINC000091641461 180213429 /nfs/dbraw/zinc/21/34/29/180213429.db2.gz OVQHSNUVQDICMN-CYBMUJFWSA-N 0 3 251.370 2.391 10 0 CEAEHN CCCn1ncnc1CC(=O)C1(N(C)C)CCC(C)CC1 ZINC000091648325 180215137 /nfs/dbraw/zinc/21/51/37/180215137.db2.gz ASPHPSVUHQVENR-UHFFFAOYSA-N 0 3 292.427 2.310 10 0 CEAEHN CN[C@H](c1nccn1C)C1(N(C)C)CCC(C)CC1 ZINC000091649125 180216517 /nfs/dbraw/zinc/21/65/17/180216517.db2.gz IBKDPJMHYIBWDS-JVWICGRDSA-N 0 3 264.417 2.191 10 0 CEAEHN Cc1cnc(Cl)nc1N1CC[C@@H](N2CCCC2)C1 ZINC000091659080 180218801 /nfs/dbraw/zinc/21/88/01/180218801.db2.gz SYKITFVQBPWFCD-LLVKDONJSA-N 0 3 266.776 2.113 10 0 CEAEHN CCCc1ccc([C@@H](NC)[C@H]2CN(C)CCO2)cc1 ZINC000091717705 180232735 /nfs/dbraw/zinc/23/27/35/180232735.db2.gz ADINMKVAKXVBOM-HZPDHXFCSA-N 0 3 262.397 2.230 10 0 CEAEHN Cc1ccc([C@H](O)[C@H]2CN3CCC[C@@H]3CO2)c(C)c1 ZINC000091715624 180232892 /nfs/dbraw/zinc/23/28/92/180232892.db2.gz GFMDKIGRARWBTQ-BMFZPTHFSA-N 0 3 261.365 2.200 10 0 CEAEHN CCN[C@@H](c1ccc(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718218 180233546 /nfs/dbraw/zinc/23/35/46/180233546.db2.gz WIANEBVHUXBCNG-HOTGVXAUSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@H](c1ccccc1OC)[C@H]1CN(C)CCO1 ZINC000091718989 180233663 /nfs/dbraw/zinc/23/36/63/180233663.db2.gz RXMZTKJEGSACFW-HZPDHXFCSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1)[C@@H]1CN(C)CCO1 ZINC000091719254 180234360 /nfs/dbraw/zinc/23/43/60/180234360.db2.gz XTYKEKNSFOURFK-HOTGVXAUSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@@H](c1ccc(OCC)cc1)[C@@H]1CN(C)CCO1 ZINC000091719086 180234377 /nfs/dbraw/zinc/23/43/77/180234377.db2.gz LXOPXURFXIYDOU-IRXDYDNUSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@@H](c1cccc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719202 180234643 /nfs/dbraw/zinc/23/46/43/180234643.db2.gz YCTDZZWNFQSUGW-HOTGVXAUSA-N 0 3 262.397 2.366 10 0 CEAEHN CCN[C@H](c1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721741 180238300 /nfs/dbraw/zinc/23/83/00/180238300.db2.gz UTMLNRPCTHNWPZ-OWCLPIDISA-N 0 3 260.381 2.200 10 0 CEAEHN COC(=O)c1ccc([C@@H](C)N(C)C2CCOCC2)o1 ZINC000091780672 180252728 /nfs/dbraw/zinc/25/27/28/180252728.db2.gz IOKNXLWOSXZBSW-SNVBAGLBSA-N 0 3 267.325 2.238 10 0 CEAEHN CCN[C@H](c1cccc(F)c1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721975 180240276 /nfs/dbraw/zinc/24/02/76/180240276.db2.gz GGZDCFDVFSSCGN-DJSGYFEHSA-N 0 3 296.361 2.479 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)N(C)C1CCC(=O)CC1 ZINC000091854081 180273533 /nfs/dbraw/zinc/27/35/33/180273533.db2.gz AGMCRIYOIZOVSK-LLVKDONJSA-N 0 3 268.401 2.123 10 0 CEAEHN C[C@@H](C(=O)N1CCCCCC1)N(C)C1CCC(=O)CC1 ZINC000091853954 180273644 /nfs/dbraw/zinc/27/36/44/180273644.db2.gz HDSOXFCVHYYUJX-ZDUSSCGKSA-N 0 3 280.412 2.221 10 0 CEAEHN N[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCCCCC1 ZINC000091971944 180295711 /nfs/dbraw/zinc/29/57/11/180295711.db2.gz DKIWAZUOHXDEKG-HUUCEWRRSA-N 0 3 273.380 2.197 10 0 CEAEHN CC[C@@H]1CN(C(=O)N2CCC(C)CC2)[C@@H](CC)CN1 ZINC000091991344 180299944 /nfs/dbraw/zinc/29/99/44/180299944.db2.gz YNISVJSJICHWHG-KGLIPLIRSA-N 0 3 267.417 2.301 10 0 CEAEHN Cc1ccc(O[C@@H]2CCOC2)c(CNCC(C)C)n1 ZINC000091996316 180302376 /nfs/dbraw/zinc/30/23/76/180302376.db2.gz PRFSYLRXTAHOPS-CYBMUJFWSA-N 0 3 264.369 2.303 10 0 CEAEHN OC[C@@H](NC[C@@H]1COc2ccccc21)c1ccccc1 ZINC000092300911 180358531 /nfs/dbraw/zinc/35/85/31/180358531.db2.gz RAZYEQAKCCRDDC-GDBMZVCRSA-N 0 3 269.344 2.486 10 0 CEAEHN C[C@@H](O)CN1CCN(CCc2ccccc2Cl)C[C@@H]1C ZINC000105824623 186074771 /nfs/dbraw/zinc/07/47/71/186074771.db2.gz JFYFTCGYUVTWKM-UONOGXRCSA-N 0 3 296.842 2.269 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(Cl)nc2)CCN1CCOC ZINC000105836645 186076757 /nfs/dbraw/zinc/07/67/57/186076757.db2.gz LQOFODBHKRHMBX-CQSZACIVSA-N 0 3 297.830 2.278 10 0 CEAEHN CCOCCN1CCN(CCCOC(C)C)C[C@H]1CC ZINC000105914802 186088757 /nfs/dbraw/zinc/08/87/57/186088757.db2.gz SAHDJRZQBURDNG-MRXNPFEDSA-N 0 3 286.460 2.234 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2cccc(Cl)c2)CCO1 ZINC000105926780 186092197 /nfs/dbraw/zinc/09/21/97/186092197.db2.gz GGDADTTYXLZOJC-AWEZNQCLSA-N 0 3 268.788 2.102 10 0 CEAEHN CC1(C)C[C@@H]1N[C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000106071184 186101941 /nfs/dbraw/zinc/10/19/41/186101941.db2.gz OBHYARIRFYRKAK-OLZOCXBDSA-N 0 3 278.396 2.225 10 0 CEAEHN CCOC(=O)C[C@@H](C)N[C@@H](C)c1c(C)noc1C ZINC000092339386 180365233 /nfs/dbraw/zinc/36/52/33/180365233.db2.gz ZVAZGTQPJZYEKY-BDAKNGLRSA-N 0 3 254.330 2.284 10 0 CEAEHN CCNc1ccnc(Cn2nc(CC)nc2CC)c1 ZINC000092419942 180381830 /nfs/dbraw/zinc/38/18/30/180381830.db2.gz AAMUOXHKZZJMAX-UHFFFAOYSA-N 0 3 259.357 2.278 10 0 CEAEHN CCNc1ccnc(Cn2ncc(=O)c3ccccc32)c1 ZINC000092419684 180382569 /nfs/dbraw/zinc/38/25/69/180382569.db2.gz BVBYWHKTGAIMTG-UHFFFAOYSA-N 0 3 280.331 2.272 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@@H]1n1nc(C)nc1C ZINC000092386152 180374065 /nfs/dbraw/zinc/37/40/65/180374065.db2.gz PTUAGONYMLHAIR-JKSUJKDBSA-N 0 3 286.379 2.352 10 0 CEAEHN Cc1ccc(C)c([C@H](C)NCC(C)(C)NS(C)(=O)=O)c1 ZINC000109041975 186241042 /nfs/dbraw/zinc/24/10/42/186241042.db2.gz IRDAXMITRAQNMJ-ZDUSSCGKSA-N 0 3 298.452 2.282 10 0 CEAEHN Clc1ccc2c(c1)nccc2NC[C@H]1COCCN1 ZINC000236051255 539803374 /nfs/dbraw/zinc/80/33/74/539803374.db2.gz UHWAJQKULJJXNA-NSHDSACASA-N 0 3 277.755 2.289 10 0 CEAEHN COc1ccc(CNC2=NC[C@@H](C)S2)c(OC)c1 ZINC000109554664 186262472 /nfs/dbraw/zinc/26/24/72/186262472.db2.gz OYHXCUPUBSYEQC-SECBINFHSA-N 0 3 266.366 2.285 10 0 CEAEHN Cc1cccc2c1OCCC[C@@H]2NCCc1nncn1C ZINC000109422553 186251870 /nfs/dbraw/zinc/25/18/70/186251870.db2.gz RVCCJZIQEAVWNK-AWEZNQCLSA-N 0 3 286.379 2.170 10 0 CEAEHN Cc1cc(C)c(CN2CCN(CC(N)=S)CC2)c(C)c1 ZINC000109442531 186252865 /nfs/dbraw/zinc/25/28/65/186252865.db2.gz VQLSVSWGEMZFCI-UHFFFAOYSA-N 0 3 291.464 2.016 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CCC1)c1cc(F)ccc1F ZINC000147608074 539803615 /nfs/dbraw/zinc/80/36/15/539803615.db2.gz LUSUCILXAVTWMB-MRVPVSSYSA-N 0 3 254.280 2.023 10 0 CEAEHN CCN(CC)CCc1noc([C@@H](C(C)=O)C(C)C)n1 ZINC000109477901 186255177 /nfs/dbraw/zinc/25/51/77/186255177.db2.gz WYFWHYSSBULTMS-CYBMUJFWSA-N 0 3 267.373 2.283 10 0 CEAEHN CNc1ncc2c(n1)CCN(CCc1ccccc1)C2 ZINC000110476296 186298680 /nfs/dbraw/zinc/29/86/80/186298680.db2.gz SYYPLKSNIXCQBG-UHFFFAOYSA-N 0 3 268.364 2.119 10 0 CEAEHN CCOc1ccc([C@H](CO[C@H]2CCOC2)NC)cc1 ZINC000110526685 186300700 /nfs/dbraw/zinc/30/07/00/186300700.db2.gz HATPPLABERNPRM-GJZGRUSLSA-N 0 3 265.353 2.151 10 0 CEAEHN Cc1cc(C)c(CNC2CC2)c(O[C@@H]2CCOC2)n1 ZINC000110532416 186302265 /nfs/dbraw/zinc/30/22/65/186302265.db2.gz UQLVHDNFGBSIIA-CYBMUJFWSA-N 0 3 262.353 2.118 10 0 CEAEHN C[C@H]1CCCN(C(=O)[C@@H](CN)Cc2ccccc2)CC1 ZINC000110808172 186325908 /nfs/dbraw/zinc/32/59/08/186325908.db2.gz GEVYNJZAFYCTPP-GOEBONIOSA-N 0 3 274.408 2.453 10 0 CEAEHN CCN(CCOC)[C@@H](CN)c1ccc(C)c(F)c1 ZINC000110977464 186339162 /nfs/dbraw/zinc/33/91/62/186339162.db2.gz OMNPIWTYFBVJII-AWEZNQCLSA-N 0 3 254.349 2.102 10 0 CEAEHN Cc1ccc([C@H](CN)N2CCOC(C)(C)C2)cc1F ZINC000110977163 186339252 /nfs/dbraw/zinc/33/92/52/186339252.db2.gz GMNFDPSFKMMZTC-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN Cc1ccc([C@@H](O)CN2CCN(C)C(C)(C)C2)cc1C ZINC000110736437 186319089 /nfs/dbraw/zinc/31/90/89/186319089.db2.gz MZWSWSHPZPPBLR-INIZCTEOSA-N 0 3 276.424 2.363 10 0 CEAEHN C[C@@H]1CN(Cc2csc(CNC(C)(C)C)n2)CCN1C ZINC000110751725 186321774 /nfs/dbraw/zinc/32/17/74/186321774.db2.gz WURSLYQLYDRLET-GFCCVEGCSA-N 0 3 296.484 2.167 10 0 CEAEHN CN(CC1CCN(C)CC1)C(=O)c1c(N)cccc1Cl ZINC000111012886 186343450 /nfs/dbraw/zinc/34/34/50/186343450.db2.gz LLPDHLFEFALIFJ-UHFFFAOYSA-N 0 3 295.814 2.336 10 0 CEAEHN COC(=O)c1coc(CN[C@H](CC(C)C)CN(C)C)c1 ZINC000130771657 365989594 /nfs/dbraw/zinc/98/95/94/365989594.db2.gz MTRRAMYCGJZWDL-CYBMUJFWSA-N 0 3 282.384 2.132 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1cccc(F)c1F ZINC000111039330 186346577 /nfs/dbraw/zinc/34/65/77/186346577.db2.gz ZZHCYDJBWSZKTF-GWCFXTLKSA-N 0 3 270.323 2.075 10 0 CEAEHN CN([C@@H](CN)c1cccc(F)c1F)[C@@H]1CCSC1 ZINC000111039224 186347321 /nfs/dbraw/zinc/34/73/21/186347321.db2.gz RUNGYJREGWCFHO-SKDRFNHKSA-N 0 3 272.364 2.402 10 0 CEAEHN CCCOCCOC[C@H](N)c1cc(OC)ccc1OC ZINC000111107651 186352962 /nfs/dbraw/zinc/35/29/62/186352962.db2.gz UOPZSZVDOPPBRX-AWEZNQCLSA-N 0 3 283.368 2.147 10 0 CEAEHN CCCOCCOC[C@@H](NC)c1ccc(OC)cc1OC ZINC000111108190 186353419 /nfs/dbraw/zinc/35/34/19/186353419.db2.gz OOMQWVQJZVIZSM-OAHLLOKOSA-N 0 3 297.395 2.408 10 0 CEAEHN CCOCCN(CC)c1ccc(CNC(C)(C)C)nn1 ZINC000111123620 186355266 /nfs/dbraw/zinc/35/52/66/186355266.db2.gz XLMGFVRHAFZNGK-UHFFFAOYSA-N 0 3 280.416 2.228 10 0 CEAEHN CC(C)Oc1cc(N(C)CCN(C)C)c(N)cc1F ZINC000111131771 186356135 /nfs/dbraw/zinc/35/61/35/186356135.db2.gz QHZACJMVYHDVDK-UHFFFAOYSA-N 0 3 269.364 2.193 10 0 CEAEHN C[C@@H](C(=O)c1ccc(F)cc1F)N(C)CCN(C)C ZINC000111139642 186357255 /nfs/dbraw/zinc/35/72/55/186357255.db2.gz JDVJKUCJQYJHCD-JTQLQIEISA-N 0 3 270.323 2.029 10 0 CEAEHN CCc1ccc([C@@H](O)[C@H](C)N(C)CCN(C)C)cc1 ZINC000111142675 186359331 /nfs/dbraw/zinc/35/93/31/186359331.db2.gz HBHJIXUJYNVKNJ-BBRMVZONSA-N 0 3 264.413 2.164 10 0 CEAEHN CC[C@@H](C)c1nc(C)c(CNCCOC)c(C)n1 ZINC000111275447 186384910 /nfs/dbraw/zinc/38/49/10/186384910.db2.gz JWMGYDAJTOMOTL-SNVBAGLBSA-N 0 3 251.374 2.343 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(CN)cn1 ZINC000111282015 186388313 /nfs/dbraw/zinc/38/83/13/186388313.db2.gz GMFKWSNXGPCYGE-RISCZKNCSA-N 0 3 261.369 2.191 10 0 CEAEHN C[C@H](NCc1cnc(N(C)C)n1C)c1cccs1 ZINC000070142869 363034900 /nfs/dbraw/zinc/03/49/00/363034900.db2.gz YXIKQLHMFPKEEU-JTQLQIEISA-N 0 3 264.398 2.398 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C)n1 ZINC000124107821 187123060 /nfs/dbraw/zinc/12/30/60/187123060.db2.gz URRJPSVBEVHIJZ-CYBMUJFWSA-N 0 3 276.384 2.338 10 0 CEAEHN CCOC(CN1CCC[C@H](n2cc(C)cn2)C1)OCC ZINC000124209760 187126905 /nfs/dbraw/zinc/12/69/05/187126905.db2.gz SBVCCWVRELZYLD-AWEZNQCLSA-N 0 3 281.400 2.228 10 0 CEAEHN C[C@H](CN[C@H](C)c1cc(F)ccc1F)N1CCOCC1 ZINC000123258920 187080854 /nfs/dbraw/zinc/08/08/54/187080854.db2.gz MJVHUJKKLUABGD-VXGBXAGGSA-N 0 3 284.350 2.336 10 0 CEAEHN CC[C@@](C)(O)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000123436559 187091495 /nfs/dbraw/zinc/09/14/95/187091495.db2.gz VDADEQOUNFTATP-OAHLLOKOSA-N 0 3 296.436 2.057 10 0 CEAEHN CC(=O)c1cccc(NC(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c1 ZINC000123934012 187114932 /nfs/dbraw/zinc/11/49/32/187114932.db2.gz MTEQGMLPWFDUIL-ABAIWWIYSA-N 0 3 289.379 2.303 10 0 CEAEHN CC(=O)c1c(F)cccc1N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000123996259 187117427 /nfs/dbraw/zinc/11/74/27/187117427.db2.gz RTYFPPHCCHRDDX-HZMBPMFUSA-N 0 3 264.344 2.415 10 0 CEAEHN Cc1c(C(=O)CCN(C)C)cnn1-c1nc2ccccc2[nH]1 ZINC000072416281 363132982 /nfs/dbraw/zinc/13/29/82/363132982.db2.gz WRLUNIGELWOUBE-UHFFFAOYSA-N 0 3 297.362 2.191 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000252731046 539896618 /nfs/dbraw/zinc/89/66/18/539896618.db2.gz OAMSBSGGVREEMR-OCCSQVGLSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@H]1COC[C@H](C)N1CCCOCC(F)(F)F ZINC000077369894 290981077 /nfs/dbraw/zinc/98/10/77/290981077.db2.gz VOGAEZUOKLGFIU-UWVGGRQHSA-N 0 3 255.280 2.065 10 0 CEAEHN CCC[C@H](C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)N(C)C ZINC000154516973 188148011 /nfs/dbraw/zinc/14/80/11/188148011.db2.gz JECRMHBTFHISPL-RBSFLKMASA-N 0 3 292.427 2.023 10 0 CEAEHN COc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)ccc1C ZINC000155746633 188224791 /nfs/dbraw/zinc/22/47/91/188224791.db2.gz QBZMHKOZSCVYJZ-ZFWWWQNUSA-N 0 3 290.407 2.462 10 0 CEAEHN O[C@@H]1CCCC[C@H]1[C@H]1CCCN1Cc1ccon1 ZINC000337307831 366137183 /nfs/dbraw/zinc/13/71/83/366137183.db2.gz UTVLBJQUUFHMGI-BFHYXJOUSA-N 0 3 250.342 2.190 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccco2)C1 ZINC000132255168 366130734 /nfs/dbraw/zinc/13/07/34/366130734.db2.gz QFSUNDNDJKRYPS-OCCSQVGLSA-N 0 3 279.384 2.150 10 0 CEAEHN CCOC(=O)CCCCN1CCC[C@H]1c1cnn(C)c1 ZINC000132915992 366180051 /nfs/dbraw/zinc/18/00/51/366180051.db2.gz JEYOPDPQLBJWSX-AWEZNQCLSA-N 0 3 279.384 2.290 10 0 CEAEHN CCc1ccc([C@H](C)NC(=O)NCCN(C)C)cc1 ZINC000133341215 366214628 /nfs/dbraw/zinc/21/46/28/366214628.db2.gz RLQBZQQGPDKGEO-LBPRGKRZSA-N 0 3 263.385 2.171 10 0 CEAEHN CCCCN=[S@@](=O)(NCC)c1ccc(N)cc1 ZINC000675074776 540116187 /nfs/dbraw/zinc/11/61/87/540116187.db2.gz IADUASXBTLYBLQ-KRWDZBQOSA-N 0 3 255.387 2.420 10 0 CEAEHN CC(=O)c1cc(F)ccc1N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000124300577 540147312 /nfs/dbraw/zinc/14/73/12/540147312.db2.gz PHASWHLORNLBEV-BMIGLBTASA-N 0 3 264.344 2.415 10 0 CEAEHN NCc1nc(Br)ccc1C(F)(F)F ZINC000575436820 366286344 /nfs/dbraw/zinc/28/63/44/366286344.db2.gz SUNMETACAGJVOE-UHFFFAOYSA-N 0 3 255.037 2.322 10 0 CEAEHN C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)NCCS2 ZINC000575511549 366292458 /nfs/dbraw/zinc/29/24/58/366292458.db2.gz FWZMUZXZIWTLMY-GXFFZTMASA-N 0 3 272.414 2.439 10 0 CEAEHN Cc1cc2ncc([C@H](C)N[C@H]3CCO[C@@H]3C)c(C)n2n1 ZINC000134238458 366303123 /nfs/dbraw/zinc/30/31/23/366303123.db2.gz KKFIFJUKSBCVFG-SUHUHFCYSA-N 0 3 274.368 2.174 10 0 CEAEHN C[C@@H](NC(=O)C(C)(C)N)c1ccc(F)c(Cl)c1 ZINC000076317315 363536992 /nfs/dbraw/zinc/53/69/92/363536992.db2.gz HMJZEUOOEVAUJF-SSDOTTSWSA-N 0 3 258.724 2.394 10 0 CEAEHN CC[C@@H](NC[C@@H]1CN(C)CCO1)c1ccsc1 ZINC000294420581 199033015 /nfs/dbraw/zinc/03/30/15/199033015.db2.gz OICAFRYQSGFHMW-CHWSQXEVSA-N 0 3 254.399 2.119 10 0 CEAEHN O[C@@H]1CCCCC[C@H]1NCc1nc2c(s1)CCC2 ZINC000673619287 540682208 /nfs/dbraw/zinc/68/22/08/540682208.db2.gz NNYLVUWYMPWPLX-ZYHUDNBSSA-N 0 3 266.410 2.415 10 0 CEAEHN COC(=O)c1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177101824 189028922 /nfs/dbraw/zinc/02/89/22/189028922.db2.gz ZVAQKMVLAJREQC-INIZCTEOSA-N 0 3 299.374 2.334 10 0 CEAEHN C[C@H]1CN(Cc2ccccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177250080 189039460 /nfs/dbraw/zinc/03/94/60/189039460.db2.gz OQLWJOLALBLTJD-BBRMVZONSA-N 0 3 294.826 2.493 10 0 CEAEHN Cc1nc(CN2CCC[C@@H]2Cn2ccnc2C)oc1C ZINC000178309352 189104513 /nfs/dbraw/zinc/10/45/13/189104513.db2.gz GFZNQRBPFGUXLD-CQSZACIVSA-N 0 3 274.368 2.461 10 0 CEAEHN CCC[C@@H](C(=O)NCCCOc1ccccc1)N(C)C ZINC000179108892 189169819 /nfs/dbraw/zinc/16/98/19/189169819.db2.gz TXZJWVNQSHXONH-HNNXBMFYSA-N 0 3 278.396 2.302 10 0 CEAEHN COc1c(C)cc(C(=O)N2CC[C@@H](N(C)C)C2)cc1C ZINC000179903984 189226991 /nfs/dbraw/zinc/22/69/91/189226991.db2.gz PRFLMMLRLBAERI-CQSZACIVSA-N 0 3 276.380 2.088 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1nc2ccccc2n1CC ZINC000236983259 370671223 /nfs/dbraw/zinc/67/12/23/370671223.db2.gz ZQUBFOGVUJFVGQ-NWDGAFQWSA-N 0 3 288.395 2.361 10 0 CEAEHN CN(C)CCO[C@H](c1cccs1)c1ccnn1C ZINC000000007743 361116344 /nfs/dbraw/zinc/11/63/44/361116344.db2.gz CIJATQMMNKXTJJ-ZDUSSCGKSA-N 0 3 265.382 2.149 10 0 CEAEHN C[C@@](O)(CN1CCCN(CC(F)F)CC1)c1ccccc1 ZINC000180552643 189262139 /nfs/dbraw/zinc/26/21/39/189262139.db2.gz JQWPPRNRUFJRAE-MRXNPFEDSA-N 0 3 298.377 2.167 10 0 CEAEHN C[C@](O)(CN1CCCN(CC(F)F)CC1)c1ccccc1 ZINC000180552667 189262165 /nfs/dbraw/zinc/26/21/65/189262165.db2.gz JQWPPRNRUFJRAE-INIZCTEOSA-N 0 3 298.377 2.167 10 0 CEAEHN Cc1cccnc1CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000180499016 189258867 /nfs/dbraw/zinc/25/88/67/189258867.db2.gz RCPYLYAGGYBZLG-CYBMUJFWSA-N 0 3 256.353 2.113 10 0 CEAEHN C[C@H](NC[C@H](O)Cn1cccn1)c1ccc(F)c(Cl)c1 ZINC000180738204 189272409 /nfs/dbraw/zinc/27/24/09/189272409.db2.gz FRHKMKXILJCGBG-JQWIXIFHSA-N 0 3 297.761 2.387 10 0 CEAEHN CC(C)n1nccc1CN[C@@H]1CCCCC[C@@H]1O ZINC000342282006 216290021 /nfs/dbraw/zinc/29/00/21/216290021.db2.gz OONDGBMCJGENBF-KGLIPLIRSA-N 0 3 251.374 2.247 10 0 CEAEHN CC(C)n1nccc1CN[C@H]1CCCCC[C@@H]1O ZINC000342282003 216290716 /nfs/dbraw/zinc/29/07/16/216290716.db2.gz OONDGBMCJGENBF-KBPBESRZSA-N 0 3 251.374 2.247 10 0 CEAEHN O=C(c1ccccc1OC(F)F)N1CCN2CCC[C@H]2C1 ZINC000002790955 361251703 /nfs/dbraw/zinc/25/17/03/361251703.db2.gz WQVMZNYFTFPWGT-NSHDSACASA-N 0 3 296.317 2.208 10 0 CEAEHN CCC(CC)CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000153911747 366744849 /nfs/dbraw/zinc/74/48/49/366744849.db2.gz GHSWPAAWDFWPSX-HNNXBMFYSA-N 0 3 265.401 2.329 10 0 CEAEHN Cc1cc(Cl)cc(NC(=O)C2CC[NH2+]CC2)c1[O-] ZINC000182201682 189316952 /nfs/dbraw/zinc/31/69/52/189316952.db2.gz GLHSLNZHZCUEKX-UHFFFAOYSA-N 0 3 268.744 2.292 10 0 CEAEHN CCSCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182198505 189317018 /nfs/dbraw/zinc/31/70/18/189317018.db2.gz AEQABDJRZWTMFC-NSHDSACASA-N 0 3 287.450 2.494 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000082286709 363760406 /nfs/dbraw/zinc/76/04/06/363760406.db2.gz HFMKGKAGAXKTCP-CYBMUJFWSA-N 0 3 266.772 2.045 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCc1ccccn1 ZINC000083704403 363785016 /nfs/dbraw/zinc/78/50/16/363785016.db2.gz ZDWLBADWTGBTMP-GDBMZVCRSA-N 0 3 259.397 2.183 10 0 CEAEHN Cc1nn(C)c(Cl)c1CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000083705022 363785101 /nfs/dbraw/zinc/78/51/01/363785101.db2.gz UZBGJJQIEPGCQX-WCQYABFASA-N 0 3 296.846 2.441 10 0 CEAEHN CC(C)[C@H](N)C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000182858429 189337348 /nfs/dbraw/zinc/33/73/48/189337348.db2.gz JDOBVXRCPDWCIL-ZDUSSCGKSA-N 0 3 266.772 2.208 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000155066768 366804715 /nfs/dbraw/zinc/80/47/15/366804715.db2.gz HFHDLXYGIOCWOF-CYBMUJFWSA-N 0 3 291.395 2.199 10 0 CEAEHN Cc1nc(C(=O)N2CC[C@@H](N(C)C)C2)c(-c2ccccc2)o1 ZINC000184678184 189392458 /nfs/dbraw/zinc/39/24/58/189392458.db2.gz IUMKRTNPUIJINO-CQSZACIVSA-N 0 3 299.374 2.426 10 0 CEAEHN Cc1nc(C(=O)N2CC[C@H](N(C)C)C2)c(-c2ccccc2)o1 ZINC000184678165 189392749 /nfs/dbraw/zinc/39/27/49/189392749.db2.gz IUMKRTNPUIJINO-AWEZNQCLSA-N 0 3 299.374 2.426 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NCCCSCC(C)C ZINC000262590669 283690826 /nfs/dbraw/zinc/69/08/26/283690826.db2.gz UTLCTXCXOLNLLM-CYBMUJFWSA-N 0 3 260.447 2.399 10 0 CEAEHN Cc1ccc(CC(=O)N[C@H](CC(C)C)CN(C)C)cc1O ZINC000089456258 363969782 /nfs/dbraw/zinc/96/97/82/363969782.db2.gz ZGYWGOXIMGOHCU-OAHLLOKOSA-N 0 3 292.423 2.336 10 0 CEAEHN Cc1cc(Cl)cc(CN[C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000334597176 364063444 /nfs/dbraw/zinc/06/34/44/364063444.db2.gz OWOCURYXWBJHOB-MFKMUULPSA-N 0 3 266.772 2.405 10 0 CEAEHN Cc1n[nH]cc1CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000092813425 364110460 /nfs/dbraw/zinc/11/04/60/364110460.db2.gz DDTZXSAGAUNBPK-AWEZNQCLSA-N 0 3 285.395 2.356 10 0 CEAEHN Cc1c(CN[C@@H]2CCN(Cc3ccccc3)C2)cnn1C ZINC000093649676 364209086 /nfs/dbraw/zinc/20/90/86/364209086.db2.gz XPFLOXADFQJAEP-QGZVFWFLSA-N 0 3 284.407 2.093 10 0 CEAEHN COc1c(CN2CCC[C@@H]2CSC)c(C)nn1C ZINC000093761258 364222778 /nfs/dbraw/zinc/22/27/78/364222778.db2.gz BBQKKBDAHVRCDQ-LLVKDONJSA-N 0 3 269.414 2.065 10 0 CEAEHN CN1CCC(N[C@@H]2COc3cc(F)cc(F)c32)CC1 ZINC000157366721 366844170 /nfs/dbraw/zinc/84/41/70/366844170.db2.gz ZPSFSICPKHOJHG-GFCCVEGCSA-N 0 3 268.307 2.082 10 0 CEAEHN CN(CCN1CCN(C2CC2)CC1)Cc1ccc(F)cc1 ZINC000158936522 366862322 /nfs/dbraw/zinc/86/23/22/366862322.db2.gz QLIJFJUGCQOJQB-UHFFFAOYSA-N 0 3 291.414 2.038 10 0 CEAEHN c1ccc(CCN2CC[C@@H](CNc3ccccn3)C2)nc1 ZINC000103473843 364658008 /nfs/dbraw/zinc/65/80/08/364658008.db2.gz ICBTZAHMOOWCGY-HNNXBMFYSA-N 0 3 282.391 2.453 10 0 CEAEHN C[C@H]1CCN[C@@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000335600313 212312619 /nfs/dbraw/zinc/31/26/19/212312619.db2.gz IXUDXEAUYTZOKE-WCQYABFASA-N 0 3 293.436 2.237 10 0 CEAEHN COC(=O)c1cccc(CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116323899 365051162 /nfs/dbraw/zinc/05/11/62/365051162.db2.gz RIBIBRMFUCSOQF-HNNXBMFYSA-N 0 3 299.374 2.196 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1cncc(F)c1 ZINC000335867479 365092399 /nfs/dbraw/zinc/09/23/99/365092399.db2.gz ZODANAORFPIPPC-DOMZBBRYSA-N 0 3 263.360 2.279 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cncc(F)c1 ZINC000335867481 365092550 /nfs/dbraw/zinc/09/25/50/365092550.db2.gz ZODANAORFPIPPC-SWLSCSKDSA-N 0 3 263.360 2.279 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000117786616 365125864 /nfs/dbraw/zinc/12/58/64/365125864.db2.gz CTALCTGTNVFFTB-KGLIPLIRSA-N 0 3 288.391 2.105 10 0 CEAEHN Cc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c(C)c1 ZINC000118787106 365178586 /nfs/dbraw/zinc/17/85/86/365178586.db2.gz IFHBOTTVGKDWTM-AWEZNQCLSA-N 0 3 291.395 2.098 10 0 CEAEHN CCS[C@H](C(=O)N1CCN2CCC[C@H]2C1)C(C)C ZINC000245404274 370814276 /nfs/dbraw/zinc/81/42/76/370814276.db2.gz OREYXSXAWDNIAB-STQMWFEESA-N 0 3 270.442 2.071 10 0 CEAEHN Cc1nc(CNC[C@@H]2CCc3nccn3C2)cs1 ZINC000275540143 193071356 /nfs/dbraw/zinc/07/13/56/193071356.db2.gz MPMMHLWULGWGBB-NSHDSACASA-N 0 3 262.382 2.000 10 0 CEAEHN Cc1ccc(C(=O)CCN2CC[C@@H](CCO)C2)cc1 ZINC000159130824 366880282 /nfs/dbraw/zinc/88/02/82/366880282.db2.gz BBIWUCKWLMOTQP-AWEZNQCLSA-N 0 3 261.365 2.272 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)cc2F)CCN1C[C@@H](C)O ZINC000120469326 365429898 /nfs/dbraw/zinc/42/98/98/365429898.db2.gz YJSOALOAWHJGKU-IUODEOHRSA-N 0 3 298.377 2.242 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)N(C)C ZINC000159231416 366891790 /nfs/dbraw/zinc/89/17/90/366891790.db2.gz LQCOFFZTYKKDFJ-KGLIPLIRSA-N 0 3 282.428 2.325 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](C)Oc1cccc(F)c1)N(C)C ZINC000162319569 367151755 /nfs/dbraw/zinc/15/17/55/367151755.db2.gz FJUGHPWTOFZISE-SWLSCSKDSA-N 0 3 296.386 2.440 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)CCc1cccn1C)N(C)C ZINC000162311423 367151921 /nfs/dbraw/zinc/15/19/21/367151921.db2.gz UDQIFNHJXHSUMJ-DZGCQCFKSA-N 0 3 279.428 2.193 10 0 CEAEHN CC1(C)C[C@H](NCC2(O)CCOCC2)c2ccccc2O1 ZINC000163142654 367220837 /nfs/dbraw/zinc/22/08/37/367220837.db2.gz SSLAXOGIHZESLW-AWEZNQCLSA-N 0 3 291.391 2.420 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245683064 370857343 /nfs/dbraw/zinc/85/73/43/370857343.db2.gz VSXJJUWDXYDMNV-UQOMUDLDSA-N 0 3 273.380 2.139 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170832279 367428329 /nfs/dbraw/zinc/42/83/29/367428329.db2.gz BBEPQHYPXJJVAW-HIFRSBDPSA-N 0 3 275.396 2.402 10 0 CEAEHN CCOc1cccc(NC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000171079643 367472758 /nfs/dbraw/zinc/47/27/58/367472758.db2.gz HFXZSWQNAYUNGP-ZDUSSCGKSA-N 0 3 277.368 2.253 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000171083870 367474735 /nfs/dbraw/zinc/47/47/35/367474735.db2.gz VFOJVONGRYYNFT-CQSZACIVSA-N 0 3 289.379 2.179 10 0 CEAEHN Cc1ccccc1OCCCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170856112 367431856 /nfs/dbraw/zinc/43/18/56/367431856.db2.gz OXVACCMYIXKIHD-OAHLLOKOSA-N 0 3 290.407 2.317 10 0 CEAEHN Cc1ccccc1OCCCC(=O)N1CC[C@H](N(C)C)C1 ZINC000170856109 367432256 /nfs/dbraw/zinc/43/22/56/367432256.db2.gz OXVACCMYIXKIHD-HNNXBMFYSA-N 0 3 290.407 2.317 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC000170856097 367433042 /nfs/dbraw/zinc/43/30/42/367433042.db2.gz AXBREJZLSCNWGH-CQSZACIVSA-N 0 3 294.370 2.147 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000170861956 367434062 /nfs/dbraw/zinc/43/40/62/367434062.db2.gz HCXXZMYVGMFYRN-NSHDSACASA-N 0 3 284.306 2.064 10 0 CEAEHN Cc1ccc(C(=O)CCC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170862482 367434091 /nfs/dbraw/zinc/43/40/91/367434091.db2.gz LYMQNXATHKVNFC-OAHLLOKOSA-N 0 3 288.391 2.120 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCCc2ccccc2)C1 ZINC000170865951 367436398 /nfs/dbraw/zinc/43/63/98/367436398.db2.gz JYRJNCVHPLEHAB-OAHLLOKOSA-N 0 3 260.381 2.172 10 0 CEAEHN Cc1ccc(N2CCCN([C@H]3C=CCCC3)CC2)nn1 ZINC000171745937 367608023 /nfs/dbraw/zinc/60/80/23/367608023.db2.gz QHWBZFLWTADVKO-HNNXBMFYSA-N 0 3 272.396 2.406 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)C2CCCC2)C1 ZINC000172313970 367716716 /nfs/dbraw/zinc/71/67/16/367716716.db2.gz RRFOGPCEUVJKQW-LBPRGKRZSA-N 0 3 253.390 2.055 10 0 CEAEHN CC[C@H]1CN(Cc2cc(F)ccc2C)CCN1C[C@H](C)O ZINC000245977719 370895844 /nfs/dbraw/zinc/89/58/44/370895844.db2.gz OYLFRWCTGFYWRC-YOEHRIQHSA-N 0 3 294.414 2.411 10 0 CEAEHN C[C@@H](CN1CCOCC1)N1CCC[C@H]1c1ccco1 ZINC000245945005 370891261 /nfs/dbraw/zinc/89/12/61/370891261.db2.gz BIDMRMBOAFWLQB-KBPBESRZSA-N 0 3 264.369 2.137 10 0 CEAEHN COC(=O)c1occc1CNCC1C[C@H](C)O[C@@H](C)C1 ZINC000343634839 367930021 /nfs/dbraw/zinc/93/00/21/367930021.db2.gz FOAJFSVNHXTOQQ-QWRGUYRKSA-N 0 3 281.352 2.359 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)c1cccnc1 ZINC000174290886 368005761 /nfs/dbraw/zinc/00/57/61/368005761.db2.gz LZRAHIILCGVBKE-HIFRSBDPSA-N 0 3 277.412 2.278 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(Cl)cn2)C1 ZINC000175849373 368182395 /nfs/dbraw/zinc/18/23/95/368182395.db2.gz CEBXLOSSLRMZHZ-NSHDSACASA-N 0 3 282.775 2.341 10 0 CEAEHN CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000176455331 368241084 /nfs/dbraw/zinc/24/10/84/368241084.db2.gz RIFPTHMBGZGDEM-CABCVRRESA-N 0 3 290.407 2.315 10 0 CEAEHN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCCN1 ZINC000037042534 284033708 /nfs/dbraw/zinc/03/37/08/284033708.db2.gz NWHPTOOTIGTZEK-AXFHLTTASA-N 0 3 278.318 2.366 10 0 CEAEHN CN(CCN1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000246289850 370942747 /nfs/dbraw/zinc/94/27/47/370942747.db2.gz KTRXTLOWVYXHOU-MRXNPFEDSA-N 0 3 285.395 2.051 10 0 CEAEHN C[C@@H]1CN(c2ccnc3ccccc32)C[C@H]1N1CCOCC1 ZINC000246560185 370976277 /nfs/dbraw/zinc/97/62/77/370976277.db2.gz ROYKKHVCNXLANI-RDTXWAMCSA-N 0 3 297.402 2.392 10 0 CEAEHN COc1ccc2[nH]c(C(=O)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000189269922 369486813 /nfs/dbraw/zinc/48/68/13/369486813.db2.gz RXHUORZDXGIPLG-CYBMUJFWSA-N 0 3 299.374 2.097 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc3ccn(C)c32)C1 ZINC000190021707 369588232 /nfs/dbraw/zinc/58/82/32/369588232.db2.gz VAHGEASAJQVINL-CYBMUJFWSA-N 0 3 286.379 2.346 10 0 CEAEHN CNc1ccc(Cl)c(CN2CCC[C@@H]2CN(C)C)n1 ZINC000061653221 522621890 /nfs/dbraw/zinc/62/18/90/522621890.db2.gz SCHFBZCGDKPXAV-LLVKDONJSA-N 0 3 282.819 2.303 10 0 CEAEHN Cn1nccc1C1CCN(C[C@H]2CCC=CO2)CC1 ZINC000191072764 369674040 /nfs/dbraw/zinc/67/40/40/369674040.db2.gz JPFNKWRDWXCYFG-CQSZACIVSA-N 0 3 261.369 2.292 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)NCc1ccccc1CN(C)C ZINC000191159531 369686253 /nfs/dbraw/zinc/68/62/53/369686253.db2.gz JVVYSORZIXSHKF-XJKSGUPXSA-N 0 3 290.407 2.180 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC000192397554 369808894 /nfs/dbraw/zinc/80/88/94/369808894.db2.gz BORLSJXXQINFER-JTQLQIEISA-N 0 3 270.760 2.489 10 0 CEAEHN COc1cc(C)nc(CN[C@H](C)[C@@H]2CCCO2)c1 ZINC000214088722 370169360 /nfs/dbraw/zinc/16/93/60/370169360.db2.gz UWYYEXGJWGNVEZ-RISCZKNCSA-N 0 3 250.342 2.056 10 0 CEAEHN O=C(N[C@@H]1COc2ccccc21)C1CCN(C2CC2)CC1 ZINC000195393301 370128456 /nfs/dbraw/zinc/12/84/56/370128456.db2.gz ACSVTFQDXMXGEN-OAHLLOKOSA-N 0 3 286.375 2.111 10 0 CEAEHN Cc1cnn(CCNCc2cncc(Br)c2)c1 ZINC000223029547 370259857 /nfs/dbraw/zinc/25/98/57/370259857.db2.gz CHQXRSZDQULRMG-UHFFFAOYSA-N 0 3 295.184 2.139 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCc2ccn(C)n2)c1C ZINC000230898028 370468586 /nfs/dbraw/zinc/46/85/86/370468586.db2.gz YHTPRSPCXAALRF-NSHDSACASA-N 0 3 275.400 2.147 10 0 CEAEHN CCC[C@H]1C[C@H]1NCc1ccc2c(c1)NC(=O)CO2 ZINC000233412213 370519304 /nfs/dbraw/zinc/51/93/04/370519304.db2.gz ZFIZJPPRMPBWQF-NWDGAFQWSA-N 0 3 260.337 2.296 10 0 CEAEHN COc1cccc([C@H](C)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000247018703 371047421 /nfs/dbraw/zinc/04/74/21/371047421.db2.gz LZSLZDVPQVKUCT-GOEBONIOSA-N 0 3 290.407 2.163 10 0 CEAEHN COCCCCN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000246769667 371007351 /nfs/dbraw/zinc/00/73/51/371007351.db2.gz VAQDVXDKSHNVTH-RDBSUJKOSA-N 0 3 269.385 2.219 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)CCSC)C1 ZINC000246806970 371013378 /nfs/dbraw/zinc/01/33/78/371013378.db2.gz RHVRDNZCSHHQFJ-CHWSQXEVSA-N 0 3 287.473 2.254 10 0 CEAEHN CC[C@H](c1ccccc1)N1CCO[C@@H](CN(C)C)C1 ZINC000247109406 371066352 /nfs/dbraw/zinc/06/63/52/371066352.db2.gz IXXLOUPXPPLRHR-JKSUJKDBSA-N 0 3 262.397 2.400 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1nc(-c2ccccc2)no1 ZINC000247123887 371068205 /nfs/dbraw/zinc/06/82/05/371068205.db2.gz JDZSAMYJKPRQQI-HIFRSBDPSA-N 0 3 298.390 2.405 10 0 CEAEHN Cc1nc(C)c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000247357794 371098901 /nfs/dbraw/zinc/09/89/01/371098901.db2.gz OJHYWFHRFOQHIN-SKDRFNHKSA-N 0 3 281.425 2.218 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC000247288464 371088464 /nfs/dbraw/zinc/08/84/64/371088464.db2.gz KREOJHJMJUERJY-MCIONIFRSA-N 0 3 250.386 2.188 10 0 CEAEHN Cc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247384913 371101340 /nfs/dbraw/zinc/10/13/40/371101340.db2.gz PZWHJVMADMJQIR-HIFRSBDPSA-N 0 3 260.381 2.454 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC000247446139 371108810 /nfs/dbraw/zinc/10/88/10/371108810.db2.gz SJOCYXMXLRRVSD-YIYPIFLZSA-N 0 3 279.428 2.013 10 0 CEAEHN CC(C)CCc1noc(CN2C[C@@H]3CCCN3C[C@H]2C)n1 ZINC000247482072 371114894 /nfs/dbraw/zinc/11/48/94/371114894.db2.gz SSUWNNHOGYNGEI-KGLIPLIRSA-N 0 3 292.427 2.327 10 0 CEAEHN COCCN1CCN([C@H](C)c2ccccc2)C[C@H]1C ZINC000247596987 371129553 /nfs/dbraw/zinc/12/95/53/371129553.db2.gz KJSBMXYEYWIDLW-HUUCEWRRSA-N 0 3 262.397 2.400 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000054073180 541841239 /nfs/dbraw/zinc/84/12/39/541841239.db2.gz OTGRWQRVTDTJPC-IUCAKERBSA-N 0 3 285.185 2.234 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccccc1Br ZINC000054073178 541841293 /nfs/dbraw/zinc/84/12/93/541841293.db2.gz OTGRWQRVTDTJPC-RKDXNWHRSA-N 0 3 285.185 2.234 10 0 CEAEHN c1cc(CN2CCN3CCCC[C@H]3C2)c2c(c1)OCCO2 ZINC000248343332 371176831 /nfs/dbraw/zinc/17/68/31/371176831.db2.gz KDQNDESFYWHXDR-HNNXBMFYSA-N 0 3 288.391 2.128 10 0 CEAEHN CCC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(CC)C2)CCO1 ZINC000248524614 371205561 /nfs/dbraw/zinc/20/55/61/371205561.db2.gz CIQNQRDAODQZDP-SOUVJXGZSA-N 0 3 282.428 2.182 10 0 CEAEHN C[C@H](Cc1ccccc1)CN1CCO[C@@H](CN(C)C)C1 ZINC000248587671 371217257 /nfs/dbraw/zinc/21/72/57/371217257.db2.gz QKQGWDPRNOVQRK-WBVHZDCISA-N 0 3 276.424 2.128 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@H](C)Oc2cccc(F)c2)C1 ZINC000249610000 371347284 /nfs/dbraw/zinc/34/72/84/371347284.db2.gz FMYYMUILZDKVAM-GXTWGEPZSA-N 0 3 294.370 2.194 10 0 CEAEHN CCc1cc2c(ncnc2N2C[C@@H](C)NC[C@H]2C)s1 ZINC000250540798 371386773 /nfs/dbraw/zinc/38/67/73/371386773.db2.gz ZUONOFHNQUMULO-NXEZZACHSA-N 0 3 276.409 2.440 10 0 CEAEHN COC(=O)c1ccc([C@H](C)N2CCN3CCCC[C@H]3C2)o1 ZINC000251571678 371406592 /nfs/dbraw/zinc/40/65/92/371406592.db2.gz UTIGHDCGUVFEQY-STQMWFEESA-N 0 3 292.379 2.297 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1nnc(C)s1 ZINC000362273629 372293578 /nfs/dbraw/zinc/29/35/78/372293578.db2.gz BPFXJHRTFGVCGN-STQMWFEESA-N 0 3 280.441 2.295 10 0 CEAEHN COC[C@@]1(C(=O)N(C)c2cc(C)cc(C)c2)CCCN1 ZINC000643652089 373231692 /nfs/dbraw/zinc/23/16/92/373231692.db2.gz QDGHAMNPUMSREV-MRXNPFEDSA-N 0 3 276.380 2.035 10 0 CEAEHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1ccc(F)cc1F ZINC000644016050 373340642 /nfs/dbraw/zinc/34/06/42/373340642.db2.gz CCZZYGUQZKDUQN-QPUJVOFHSA-N 0 3 268.307 2.140 10 0 CEAEHN CCN1CC[C@@H](N[C@@H](C)c2c(C)nn(CC)c2C)C1 ZINC000389283659 375302166 /nfs/dbraw/zinc/30/21/66/375302166.db2.gz VIEWRJIFOCTDGP-SMDDNHRTSA-N 0 3 264.417 2.265 10 0 CEAEHN CCN(CC)c1ncc(CN[C@H]2CCN(CC)C2)s1 ZINC000389584423 375306138 /nfs/dbraw/zinc/30/61/38/375306138.db2.gz YSDPTZFKHUWRLX-LBPRGKRZSA-N 0 3 282.457 2.173 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(Br)cc1 ZINC000282389890 375473289 /nfs/dbraw/zinc/47/32/89/375473289.db2.gz OXJHALXKMZVTLN-BXKDBHETSA-N 0 3 297.196 2.206 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)c(F)c1 ZINC000282363699 375465831 /nfs/dbraw/zinc/46/58/31/375465831.db2.gz NMBDFOGFJAGPRP-PRHODGIISA-N 0 3 270.735 2.236 10 0 CEAEHN COc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)cc1F ZINC000282510619 375503379 /nfs/dbraw/zinc/50/33/79/375503379.db2.gz YVPNRKWKINDOHY-OPQQBVKSSA-N 0 3 280.343 2.152 10 0 CEAEHN C[C@@H](NCc1nc2ccc(O)cc2o1)[C@@H]1CCCOC1 ZINC000408522222 375509214 /nfs/dbraw/zinc/50/92/14/375509214.db2.gz FONOKSPUNVJGIU-GHMZBOCLSA-N 0 3 276.336 2.438 10 0 CEAEHN C[C@H](CNCc1cccnc1)N(C)C(=O)OC(C)(C)C ZINC000282825426 375585894 /nfs/dbraw/zinc/58/58/94/375585894.db2.gz NRDHGBSUNKPUEA-GFCCVEGCSA-N 0 3 279.384 2.427 10 0 CEAEHN CCC[C@@](C)(N)C(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000262167525 190049840 /nfs/dbraw/zinc/04/98/40/190049840.db2.gz WLDXLQUGJQPUMP-SWLSCSKDSA-N 0 3 282.384 2.299 10 0 CEAEHN CCN1CCC[C@@H](NCc2cc(F)ccc2OC)C1 ZINC000311467907 376670693 /nfs/dbraw/zinc/67/06/93/376670693.db2.gz NRVZTZOAQGKCMC-CQSZACIVSA-N 0 3 266.360 2.408 10 0 CEAEHN CCc1ccc(CC)c(NC(=O)C2(N)CCOCC2)c1 ZINC000567160044 377806247 /nfs/dbraw/zinc/80/62/47/377806247.db2.gz GUUJOOLUFNEHNJ-UHFFFAOYSA-N 0 3 276.380 2.258 10 0 CEAEHN C[C@@H]1C[C@H](N[C@H](CN(C)C)c2ccccc2)[C@@H](C)O1 ZINC000294945939 378031775 /nfs/dbraw/zinc/03/17/75/378031775.db2.gz AGEMJCLGJCTUOM-LUYZLQTOSA-N 0 3 262.397 2.445 10 0 CEAEHN C[C@H]1CC[C@H](NC(=O)Nc2ncccc2CN)CC1 ZINC000334849815 207182433 /nfs/dbraw/zinc/18/24/33/207182433.db2.gz VBXVUFIYMNOZTE-UMSPYCQHSA-N 0 3 262.357 2.241 10 0 CEAEHN CC(C)CN(CC(C)C)C(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000183148416 542287708 /nfs/dbraw/zinc/28/77/08/542287708.db2.gz TXTQSHGFYJOHBZ-GJZGRUSLSA-N 0 3 284.444 2.284 10 0 CEAEHN CNC(=O)[C@H](NCCc1c(F)cccc1Cl)C(C)C ZINC000183636081 542294289 /nfs/dbraw/zinc/29/42/89/542294289.db2.gz NYZFPIVXDKSXDA-CYBMUJFWSA-N 0 3 286.778 2.382 10 0 CEAEHN CCc1nnc(CN2C[C@H]3CCCCN3C[C@@H]2C)s1 ZINC000392061659 542375461 /nfs/dbraw/zinc/37/54/61/542375461.db2.gz CSPLROMTEUZPBT-NWDGAFQWSA-N 0 3 280.441 2.159 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC000248465415 285237896 /nfs/dbraw/zinc/23/78/96/285237896.db2.gz ZGDJIOGWNQBYKX-BXUZGUMPSA-N 0 3 292.427 2.073 10 0 CEAEHN Cc1ccc([C@@H](N)CN2C(=O)CC(C)CC2=O)cc1C ZINC000093356526 184666807 /nfs/dbraw/zinc/66/68/07/184666807.db2.gz DWYHSERYMBJELT-AWEZNQCLSA-N 0 3 274.364 2.088 10 0 CEAEHN CN[C@H]1CCC[C@H]1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000081921755 177894936 /nfs/dbraw/zinc/89/49/36/177894936.db2.gz BWUSKIIIRYILOI-UONOGXRCSA-N 0 3 267.394 2.218 10 0 CEAEHN Cc1ccc(C[C@@H](C)N2CC[C@@H](NC3CC3)C2=O)s1 ZINC000080253518 177632165 /nfs/dbraw/zinc/63/21/65/177632165.db2.gz ZKNDJONUNRUHBM-QMTHXVAHSA-N 0 3 278.421 2.340 10 0 CEAEHN CCN[C@]1(C(N)=O)CC[C@H](Oc2cc(C)cc(C)c2C)C1 ZINC000093846605 184732255 /nfs/dbraw/zinc/73/22/55/184732255.db2.gz DDFBEYYWWMJMPJ-WMLDXEAASA-N 0 3 290.407 2.377 10 0 CEAEHN CC(C)(CN[C@H]1CCCc2cc(O)ccc21)S(C)(=O)=O ZINC000093520669 184687554 /nfs/dbraw/zinc/68/75/54/184687554.db2.gz UVCDNJCOOVHTTQ-AWEZNQCLSA-N 0 3 297.420 2.182 10 0 CEAEHN CCNCc1ccccc1OCC(C)(C)C(=O)OC ZINC000093714248 184708464 /nfs/dbraw/zinc/70/84/64/184708464.db2.gz JMYYCCKHHMJGTH-UHFFFAOYSA-N 0 3 265.353 2.374 10 0 CEAEHN CCCNCc1ccc(OCC(=O)NC(CC)CC)cn1 ZINC000094209987 184763135 /nfs/dbraw/zinc/76/31/35/184763135.db2.gz WKUZVVGOIJHPET-UHFFFAOYSA-N 0 3 293.411 2.265 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1ccccc1-c1nc(C)no1 ZINC000094232480 184767082 /nfs/dbraw/zinc/76/70/82/184767082.db2.gz AMKCJNXRBHOOMN-CQSZACIVSA-N 0 3 274.324 2.111 10 0 CEAEHN CCCN1CCN(C[C@@H]2CCCC(C)(C)[C@H]2O)CC1 ZINC000094289086 184775532 /nfs/dbraw/zinc/77/55/32/184775532.db2.gz AQMKAPCIMNCGOQ-GJZGRUSLSA-N 0 3 268.445 2.201 10 0 CEAEHN CC(C)(N)c1cn([C@@H]2CCOC3(CCCC3)C2)nn1 ZINC000094411390 184794371 /nfs/dbraw/zinc/79/43/71/184794371.db2.gz UPHSDEGUPWVKDI-LLVKDONJSA-N 0 3 264.373 2.136 10 0 CEAEHN CCN[C@H](c1cnccc1C)[C@@H]1CSCCO1 ZINC000094503522 184811771 /nfs/dbraw/zinc/81/17/71/184811771.db2.gz VUNRWSRLEPZYKR-QWHCGFSZSA-N 0 3 252.383 2.173 10 0 CEAEHN COc1ccc(O[C@@H](C)[C@@H](C)O)c(CNC(C)C)c1 ZINC000094652603 184835114 /nfs/dbraw/zinc/83/51/14/184835114.db2.gz BLRDUFOWGCGERU-NEPJUHHUSA-N 0 3 267.369 2.341 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2)cc1F ZINC000094956564 184903495 /nfs/dbraw/zinc/90/34/95/184903495.db2.gz KBSONPLWBFACHM-FZMZJTMJSA-N 0 3 264.344 2.453 10 0 CEAEHN Oc1ccc([C@@H]2CN[C@H](c3ccc(O)cc3)CN2)cc1 ZINC000065734880 285385677 /nfs/dbraw/zinc/38/56/77/285385677.db2.gz FPPBMXVCCCEYJD-HOTGVXAUSA-N 0 3 270.332 2.073 10 0 in-vitro CEAEHN CC[C@@H](C)Oc1cccc(N2CCC[C@@H](N)C2=O)c1 ZINC000070495429 134951344 /nfs/dbraw/zinc/95/13/44/134951344.db2.gz DPUUKXAEKZSFRX-BXUZGUMPSA-N 0 3 262.353 2.318 10 0 CEAEHN Fc1cc(F)c(N2CCN[C@H](C3CC3)C2)c(F)c1 ZINC000088724301 135056424 /nfs/dbraw/zinc/05/64/24/135056424.db2.gz YHWSILXWYZTDIJ-LBPRGKRZSA-N 0 3 256.271 2.292 10 0 CEAEHN CN1C(=O)C[C@H](NC[C@H]2CCC[C@@H]2CO)c2ccccc21 ZINC000089485224 135059220 /nfs/dbraw/zinc/05/92/20/135059220.db2.gz MGSVWUNSGMYKKD-NFAWXSAZSA-N 0 3 288.391 2.092 10 0 CEAEHN NCc1c(F)cccc1N1CCCC[C@@H]1CCO ZINC000093395183 135080355 /nfs/dbraw/zinc/08/03/55/135080355.db2.gz BLILXFXCXMGKNB-LLVKDONJSA-N 0 3 252.333 2.026 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1cccc(F)c1CN ZINC000093395230 135080593 /nfs/dbraw/zinc/08/05/93/135080593.db2.gz ZNYPUEZHHUFQAC-WDEREUQCSA-N 0 3 252.333 2.288 10 0 CEAEHN CNCc1cc(NC(C)C)ncc1Br ZINC000306206130 394514672 /nfs/dbraw/zinc/51/46/72/394514672.db2.gz PNZOGCYUARUMJA-UHFFFAOYSA-N 0 3 258.163 2.384 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000236780818 394487729 /nfs/dbraw/zinc/48/77/29/394487729.db2.gz BYZXMKRNNGEOAY-KGLIPLIRSA-N 0 3 264.344 2.303 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2cccc(F)c2)C1 ZINC000052522236 394558105 /nfs/dbraw/zinc/55/81/05/394558105.db2.gz RFUBSRVOXDOYNF-AWEZNQCLSA-N 0 3 279.359 2.109 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccnn2C(C)C)C1 ZINC000049210939 394543336 /nfs/dbraw/zinc/54/33/36/394543336.db2.gz NWGFHCDPRVOMIG-LBPRGKRZSA-N 0 3 279.388 2.070 10 0 CEAEHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000092632797 394662100 /nfs/dbraw/zinc/66/21/00/394662100.db2.gz NJIINLYFVGJNLM-ZDUSSCGKSA-N 0 3 276.380 2.257 10 0 CEAEHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000092632797 394662101 /nfs/dbraw/zinc/66/21/01/394662101.db2.gz NJIINLYFVGJNLM-ZDUSSCGKSA-N 0 3 276.380 2.257 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115782836 394756002 /nfs/dbraw/zinc/75/60/02/394756002.db2.gz GKYDGMZYBWXRAU-CHWSQXEVSA-N 0 3 255.406 2.014 10 0 CEAEHN Cc1nnc([C@@H](C)N2CCN3CCCC[C@@H]3C2)s1 ZINC000338273963 394910832 /nfs/dbraw/zinc/91/08/32/394910832.db2.gz HZCKHQJGEZVNAO-ZYHUDNBSSA-N 0 3 266.414 2.078 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000133974306 394955593 /nfs/dbraw/zinc/95/55/93/394955593.db2.gz YDKBJJBPURHYOH-JKSUJKDBSA-N 0 3 276.424 2.445 10 0 CEAEHN Cc1nnsc1CN[C@@H](C)CN(C)Cc1ccccc1 ZINC000381870189 395178325 /nfs/dbraw/zinc/17/83/25/395178325.db2.gz LBKQTHSBAPYXBN-LBPRGKRZSA-N 0 3 290.436 2.457 10 0 CEAEHN CCN1CC[C@H](NC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000390224038 395198978 /nfs/dbraw/zinc/19/89/78/395198978.db2.gz ZYPLXKNJFUWUOJ-AWEZNQCLSA-N 0 3 275.352 2.105 10 0 CEAEHN COc1ccc([C@@H](C)NC[C@@H](O)CSC)cc1OC ZINC000188219829 395312261 /nfs/dbraw/zinc/31/22/61/395312261.db2.gz AXGNLQOUYYOPPF-ZYHUDNBSSA-N 0 3 285.409 2.078 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3occc31)CC2 ZINC000192984158 395398042 /nfs/dbraw/zinc/39/80/42/395398042.db2.gz XXHNPZDHIBNGPH-WCQYABFASA-N 0 3 286.379 2.416 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCc2cccc(C)c2)C1 ZINC000194794770 395448300 /nfs/dbraw/zinc/44/83/00/395448300.db2.gz QSICDFCYHMCGMD-INIZCTEOSA-N 0 3 289.423 2.321 10 0 CEAEHN CCC1CCC(NC(=O)NC[C@H]2CCCN2C)CC1 ZINC000195131287 395460157 /nfs/dbraw/zinc/46/01/57/395460157.db2.gz IGCKNSFTXFYNNL-JXQTWKCFSA-N 0 3 267.417 2.349 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@@H]1c1ccncc1 ZINC000195203044 395462169 /nfs/dbraw/zinc/46/21/69/395462169.db2.gz YDOWMMWGAYLTMO-JKSUJKDBSA-N 0 3 278.396 2.396 10 0 CEAEHN N[C@@]1(c2cscn2)CCN(Cc2ccccc2)C1 ZINC000575470550 395664493 /nfs/dbraw/zinc/66/44/93/395664493.db2.gz DYMRHWPBVLRJLU-AWEZNQCLSA-N 0 3 259.378 2.203 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCc1cn(C(C)(C)C)nn1 ZINC000189949231 153113675 /nfs/dbraw/zinc/11/36/75/153113675.db2.gz ROLKOVDWJRCLGA-CYBMUJFWSA-N 0 3 281.448 2.099 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(C[C@H](O)CC2CCCC2)C1 ZINC000190500254 153131614 /nfs/dbraw/zinc/13/16/14/153131614.db2.gz XVIRHUJWVQATFW-HZPDHXFCSA-N 0 3 296.455 2.308 10 0 CEAEHN CC[C@]1(CO)CCCN1Cc1cnn(C(C)(C)C)c1 ZINC000191011740 153158554 /nfs/dbraw/zinc/15/85/54/153158554.db2.gz ZJAYPQJCFHHPHU-OAHLLOKOSA-N 0 3 265.401 2.375 10 0 CEAEHN CCN(C)c1ccc(CN2CCN3CCCC[C@@H]3C2)cn1 ZINC000191283829 153166117 /nfs/dbraw/zinc/16/61/17/153166117.db2.gz GYGAHCNBMVYKLQ-MRXNPFEDSA-N 0 3 288.439 2.208 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H](C)c2cccc(O)c2)C1 ZINC000192344588 153206146 /nfs/dbraw/zinc/20/61/46/153206146.db2.gz DFASUYHEWRLXDH-TZMCWYRMSA-N 0 3 291.395 2.237 10 0 CEAEHN O=C(CCCc1ccccc1)N1CCN2CCC[C@H]2C1 ZINC000195332859 153285270 /nfs/dbraw/zinc/28/52/70/153285270.db2.gz MHTUZFIRNAXRTJ-INIZCTEOSA-N 0 3 272.392 2.316 10 0 CEAEHN Cc1csc([C@H]2CCCN(C[C@H](O)COC(C)C)C2)n1 ZINC000195402814 153289178 /nfs/dbraw/zinc/28/91/78/153289178.db2.gz NKANZOLVYWTESN-KBPBESRZSA-N 0 3 298.452 2.417 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(CCOC(C)(C)C)C2)no1 ZINC000195518352 153292428 /nfs/dbraw/zinc/29/24/28/153292428.db2.gz CYEKCGSXGWBOPL-CYBMUJFWSA-N 0 3 281.400 2.448 10 0 CEAEHN C[C@H](C[C@H](C)O)NCc1cnn(-c2ccccc2)c1 ZINC000228076121 153356342 /nfs/dbraw/zinc/35/63/42/153356342.db2.gz VJBYGDCXNABKJA-OLZOCXBDSA-N 0 3 259.353 2.121 10 0 CEAEHN COc1c(CNC[C@H]2CCC[C@@H]2C)c(C)nn1C ZINC000230663104 153399052 /nfs/dbraw/zinc/39/90/52/153399052.db2.gz OXRWCBCDAHZSKH-CMPLNLGQSA-N 0 3 251.374 2.263 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000263502700 154106980 /nfs/dbraw/zinc/10/69/80/154106980.db2.gz LEIRWPQZHHKVRS-PNESKVBLSA-N 0 3 270.417 2.338 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](C)CC(C)(C)C)C1 ZINC000263502700 154106985 /nfs/dbraw/zinc/10/69/85/154106985.db2.gz LEIRWPQZHHKVRS-PNESKVBLSA-N 0 3 270.417 2.338 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](C)CC(C)(C)C)C1 ZINC000263502700 154106990 /nfs/dbraw/zinc/10/69/90/154106990.db2.gz LEIRWPQZHHKVRS-PNESKVBLSA-N 0 3 270.417 2.338 10 0 CEAEHN C[C@H](CNC(=O)N1CCS[C@@H](C)C1)N1CCC(C)CC1 ZINC000171434080 162384013 /nfs/dbraw/zinc/38/40/13/162384013.db2.gz KFZFCJCHEQBKAJ-KGLIPLIRSA-N 0 3 299.484 2.254 10 0 CEAEHN C[C@H](NCC(=O)N1c2ccccc2C[C@@H]1C)[C@H]1CCCO1 ZINC000248852419 162515510 /nfs/dbraw/zinc/51/55/10/162515510.db2.gz HJHGZQJHCIBAKB-HEHGZKQESA-N 0 3 288.391 2.121 10 0 CEAEHN CCCc1nc(CN2CCN3CCC[C@@H]3C2)cs1 ZINC000171640080 165050796 /nfs/dbraw/zinc/05/07/96/165050796.db2.gz YIYUIROTVIRKLO-CYBMUJFWSA-N 0 3 265.426 2.376 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC000172289961 165055605 /nfs/dbraw/zinc/05/56/05/165055605.db2.gz DGAKBOABUDEACS-HUUCEWRRSA-N 0 3 288.435 2.062 10 0 CEAEHN CCN(CC)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173751459 165084059 /nfs/dbraw/zinc/08/40/59/165084059.db2.gz AQAIJQLRWHXQSV-CYBMUJFWSA-N 0 3 295.452 2.499 10 0 CEAEHN COc1cccc([C@@H](C)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000175740012 165143720 /nfs/dbraw/zinc/14/37/20/165143720.db2.gz LZSLZDVPQVKUCT-ZBFHGGJFSA-N 0 3 290.407 2.163 10 0 CEAEHN COc1cccc([C@H](C)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000175739997 165145450 /nfs/dbraw/zinc/14/54/50/165145450.db2.gz LZSLZDVPQVKUCT-HOCLYGCPSA-N 0 3 290.407 2.163 10 0 CEAEHN CCCCCNC(=O)[C@H](C)N(C)C[C@@H]1CCCN1CC ZINC000177713123 165207631 /nfs/dbraw/zinc/20/76/31/165207631.db2.gz XKXUHNLQSWASAG-GJZGRUSLSA-N 0 3 283.460 2.097 10 0 CEAEHN COCc1nc2n(n1)CCC[C@H]2N[C@H](C)C1CCC1 ZINC000178492354 165244882 /nfs/dbraw/zinc/24/48/82/165244882.db2.gz JNZYQKRLHZQEPV-ZYHUDNBSSA-N 0 3 264.373 2.038 10 0 CEAEHN CCC[C@H](C(=O)N[C@H]1CC(C)(C)OC1(C)C)N(C)C ZINC000183102750 165382633 /nfs/dbraw/zinc/38/26/33/165382633.db2.gz HAUZIOSUCRHGRI-NEPJUHHUSA-N 0 3 270.417 2.179 10 0 CEAEHN N=C1N=C2Oc3ccccc3N2[C@H](c2ccccc2)N1 ZINC000002206792 169781724 /nfs/dbraw/zinc/78/17/24/169781724.db2.gz ITNNKGMGTODDLA-CYBMUJFWSA-N 0 3 264.288 2.269 10 0 CEAEHN O[C@H](CN1CCSCC1)c1c[nH]c2ccccc21 ZINC000005254777 170080167 /nfs/dbraw/zinc/08/01/67/170080167.db2.gz RIVOZKGUYRVVMB-CQSZACIVSA-N 0 3 262.378 2.250 10 0 CEAEHN Cc1cccc(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)c1[O-] ZINC000019843837 170892356 /nfs/dbraw/zinc/89/23/56/170892356.db2.gz UZNXMIALMOJMEC-CYBMUJFWSA-N 0 3 276.380 2.305 10 0 CEAEHN CC(=O)NCCNCc1ccc(OCCC(C)C)cc1 ZINC000020185075 171048137 /nfs/dbraw/zinc/04/81/37/171048137.db2.gz CRCBTMGTKBHKDX-UHFFFAOYSA-N 0 3 278.396 2.337 10 0 CEAEHN CCCCc1ccc([C@H](C)NCCNS(C)(=O)=O)cc1 ZINC000020203791 171068186 /nfs/dbraw/zinc/06/81/86/171068186.db2.gz SSLDCGTYGSGXJX-ZDUSSCGKSA-N 0 3 298.452 2.229 10 0 CEAEHN CCN1CCN(Cc2ccc3c(c2)CCCN3)CC1 ZINC000020247877 171100694 /nfs/dbraw/zinc/10/06/94/171100694.db2.gz TXQREBFQCOJEMP-UHFFFAOYSA-N 0 3 259.397 2.182 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)NCCc1ccc(F)cc1 ZINC000020364476 171163203 /nfs/dbraw/zinc/16/32/03/171163203.db2.gz MLDOLKLFKIYOJX-GFCCVEGCSA-N 0 3 266.360 2.215 10 0 CEAEHN CC(C)CNC(=O)[C@@H](C)Oc1ccccc1[C@H](C)N ZINC000020419497 171184236 /nfs/dbraw/zinc/18/42/36/171184236.db2.gz LLSKFRVYXHQLOK-NWDGAFQWSA-N 0 3 264.369 2.246 10 0 CEAEHN CCCCN(CCCC)[C@H](CN)c1cnn(C)c1 ZINC000020484856 171224267 /nfs/dbraw/zinc/22/42/67/171224267.db2.gz YFJDCNDHQWEXST-CQSZACIVSA-N 0 3 252.406 2.322 10 0 CEAEHN CC(C)[C@H](C)NS(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000020523651 171235915 /nfs/dbraw/zinc/23/59/15/171235915.db2.gz NJLMCPAPWDQISR-MNOVXSKESA-N 0 3 270.398 2.029 10 0 CEAEHN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2CN)[C@@H]1C ZINC000022165817 171365651 /nfs/dbraw/zinc/36/56/51/171365651.db2.gz QFFMHZXKRHPIGI-YRGRVCCFSA-N 0 3 296.436 2.248 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000022174320 171369259 /nfs/dbraw/zinc/36/92/59/171369259.db2.gz QFKPWFZQQNXHCT-GWCFXTLKSA-N 0 3 288.313 2.426 10 0 CEAEHN C[C@@H](OCC(F)(F)F)C(=O)Nc1cccc(CN)c1 ZINC000022175056 171369796 /nfs/dbraw/zinc/36/97/96/171369796.db2.gz KCFMUNNOJXJKCM-MRVPVSSYSA-N 0 3 276.258 2.051 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2ccc(OC(F)F)cc2)CCO1 ZINC000022218418 171376877 /nfs/dbraw/zinc/37/68/77/171376877.db2.gz UWOKNOAYIVEAOZ-GWCFXTLKSA-N 0 3 286.322 2.009 10 0 CEAEHN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(CN)c1 ZINC000022219738 171377491 /nfs/dbraw/zinc/37/74/91/171377491.db2.gz MDKFJIDDDJBYJN-BXUZGUMPSA-N 0 3 282.409 2.002 10 0 CEAEHN Cc1ccc([C@H](N)[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022563426 171391292 /nfs/dbraw/zinc/39/12/92/171391292.db2.gz XJAVMNDZXOZFBP-HLPPOEQASA-N 0 3 262.397 2.493 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)N[C@H]1CCc2ccccc2C1 ZINC000035223335 172067543 /nfs/dbraw/zinc/06/75/43/172067543.db2.gz HNHQHSGKXAHTKQ-BBRMVZONSA-N 0 3 274.408 2.390 10 0 CEAEHN NCc1c(N2CCCCCC2)nc2sccn12 ZINC000035429703 172198328 /nfs/dbraw/zinc/19/83/28/172198328.db2.gz AWOIWGMQXLENDG-UHFFFAOYSA-N 0 3 250.371 2.235 10 0 CEAEHN CCN(c1nc2sccn2c1CNC)C(C)C ZINC000035430093 172198536 /nfs/dbraw/zinc/19/85/36/172198536.db2.gz UHXMDNVIBNKBTF-UHFFFAOYSA-N 0 3 252.387 2.350 10 0 CEAEHN CN[C@@H](c1ccc(OC)c(OC)c1)[C@@H]1CCCO1 ZINC000035463405 172211520 /nfs/dbraw/zinc/21/15/20/172211520.db2.gz RRQREHSEYLBPRR-JSGCOSHPSA-N 0 3 251.326 2.143 10 0 CEAEHN CN[C@@H](c1ccc(OC)cc1OC)[C@@H]1CCCO1 ZINC000035489004 172223766 /nfs/dbraw/zinc/22/37/66/172223766.db2.gz NSHIZNZEGLYOGS-JSGCOSHPSA-N 0 3 251.326 2.143 10 0 CEAEHN CN[C@@H](c1ccoc1C)c1ccc2c(c1)CC(=O)N2 ZINC000035495568 172228857 /nfs/dbraw/zinc/22/88/57/172228857.db2.gz MVNIYQPKLNCSIQ-OAHLLOKOSA-N 0 3 256.305 2.391 10 0 CEAEHN CN[C@@H](CC(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000035500762 172235163 /nfs/dbraw/zinc/23/51/63/172235163.db2.gz BCOWGCQPRAWZDQ-QMMMGPOBSA-N 0 3 260.215 2.334 10 0 CEAEHN C[C@H](CO)N[C@H](c1ccccc1)c1ccc(O)cc1 ZINC000035603260 172292385 /nfs/dbraw/zinc/29/23/85/172292385.db2.gz OIEHASWIADSZES-MLGOLLRUSA-N 0 3 257.333 2.452 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1ccc(C)cc1[C@@H](C)NC ZINC000035629513 172309782 /nfs/dbraw/zinc/30/97/82/172309782.db2.gz OGRXOXABDYEWBZ-NEPJUHHUSA-N 0 3 264.369 2.179 10 0 CEAEHN C[C@@H](O)c1ccc(N2CCCN(C)CC2)c(F)c1 ZINC000035631491 172313911 /nfs/dbraw/zinc/31/39/11/172313911.db2.gz TTYUZJCCSXXIKR-LLVKDONJSA-N 0 3 252.333 2.021 10 0 CEAEHN N[C@H]1CC(=O)N(c2c(Cl)cccc2C(F)(F)F)C1 ZINC000035679897 172350620 /nfs/dbraw/zinc/35/06/20/172350620.db2.gz IIZFUQWCIIVQLC-LURJTMIESA-N 0 3 278.661 2.423 10 0 CEAEHN N[C@@H]1CC(=O)N(c2ccccc2-c2ccccc2)C1 ZINC000035679726 172350743 /nfs/dbraw/zinc/35/07/43/172350743.db2.gz UFJGKWJNDBZDKW-CYBMUJFWSA-N 0 3 252.317 2.418 10 0 CEAEHN CCN[C@@H]1c2cccc(Cl)c2S(=O)(=O)C[C@H]1C ZINC000035761265 172399266 /nfs/dbraw/zinc/39/92/66/172399266.db2.gz ULFOTONYNSPVCY-KCJUWKMLSA-N 0 3 273.785 2.414 10 0 CEAEHN C[C@@H](NC1CC(c2ccccc2Br)C1)C(N)=O ZINC000036846790 172747336 /nfs/dbraw/zinc/74/73/36/172747336.db2.gz MGGGTBIRHFOTHG-XNWIYYODSA-N 0 3 297.196 2.159 10 0 CEAEHN C[C@@H](N)C(=O)Nc1c2ncsc2ccc1Cl ZINC000037008168 172865980 /nfs/dbraw/zinc/86/59/80/172865980.db2.gz MILLMVFMUJSKAC-RXMQYKEDSA-N 0 3 255.730 2.235 10 0 CEAEHN CC[C@H](NC(=O)[C@H](C)N)c1ccc(Br)cc1 ZINC000037020769 172884139 /nfs/dbraw/zinc/88/41/39/172884139.db2.gz KHCCHJYUIAZOJQ-KWQFWETISA-N 0 3 285.185 2.364 10 0 CEAEHN CN(C)CCN[C@@H]1CCOc2ccc(Br)cc21 ZINC000037184127 173016690 /nfs/dbraw/zinc/01/66/90/173016690.db2.gz YHENGIPIHDXORF-GFCCVEGCSA-N 0 3 299.212 2.424 10 0 CEAEHN Cc1ncsc1[C@H](C)N[C@H]1CN2CCC1CC2 ZINC000037211769 173033595 /nfs/dbraw/zinc/03/35/95/173033595.db2.gz VNLVQOYPKORQQI-JQWIXIFHSA-N 0 3 251.399 2.196 10 0 CEAEHN COC(=O)c1ccccc1CN[C@@H](C)[C@H]1CCCO1 ZINC000037242274 173059218 /nfs/dbraw/zinc/05/92/18/173059218.db2.gz COBIOCBWSZMLED-SMDDNHRTSA-N 0 3 263.337 2.130 10 0 CEAEHN COC(=O)CCN[C@H](c1ccc(F)cc1)C1CC1 ZINC000037252284 173064796 /nfs/dbraw/zinc/06/47/96/173064796.db2.gz RQVFXBIIGODXQW-AWEZNQCLSA-N 0 3 251.301 2.430 10 0 CEAEHN COc1nc2sccn2c1CN[C@@H](C)C1CC1 ZINC000037259363 173070187 /nfs/dbraw/zinc/07/01/87/173070187.db2.gz YVNYGKSJVRFUDA-QMMMGPOBSA-N 0 3 251.355 2.293 10 0 CEAEHN Nc1ccnn1[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000037325897 173126440 /nfs/dbraw/zinc/12/64/40/173126440.db2.gz OMEWSVXIFYTGBL-CQSZACIVSA-N 0 3 256.353 2.302 10 0 CEAEHN N[C@H](c1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000037371365 173161328 /nfs/dbraw/zinc/16/13/28/173161328.db2.gz VBFDVBCUSDICBI-OAHLLOKOSA-N 0 3 254.289 2.066 10 0 CEAEHN CC(C)NCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037395999 173175893 /nfs/dbraw/zinc/17/58/93/173175893.db2.gz XONUZOSLPDHINH-ZJUUUORDSA-N 0 3 266.307 2.222 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc3cc(Br)ccc3[nH]2)C1 ZINC000037441250 173210790 /nfs/dbraw/zinc/21/07/90/173210790.db2.gz OANIAVVLVXYVSE-GZMMTYOYSA-N 0 3 296.168 2.375 10 0 CEAEHN CNCc1nc2cc(Br)ccc2n1C ZINC000037441367 173210919 /nfs/dbraw/zinc/21/09/19/173210919.db2.gz MJSYZHSQCWHTLW-UHFFFAOYSA-N 0 3 254.131 2.055 10 0 CEAEHN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)CNC1CC1)C2 ZINC000037495207 173234711 /nfs/dbraw/zinc/23/47/11/173234711.db2.gz KVWALWIBDKRLIS-WFASDCNBSA-N 0 3 250.386 2.166 10 0 CEAEHN CC[C@@H](C)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000038065674 174076999 /nfs/dbraw/zinc/07/69/99/174076999.db2.gz VHFZWFXJVZSBQP-NOZJJQNGSA-N 0 3 254.761 2.429 10 0 CEAEHN CC(C)CCCNCc1cc(C(N)=O)ccc1F ZINC000038093987 174107484 /nfs/dbraw/zinc/10/74/84/174107484.db2.gz MUCRPHCMUNDGJO-UHFFFAOYSA-N 0 3 252.333 2.450 10 0 CEAEHN C[C@@H](CNCc1ccccc1Cl)N1CCN(C)CC1 ZINC000040165694 174197595 /nfs/dbraw/zinc/19/75/95/174197595.db2.gz XADRZJUALVZLEV-ZDUSSCGKSA-N 0 3 281.831 2.066 10 0 CEAEHN CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@@H](C)N ZINC000040430902 174259681 /nfs/dbraw/zinc/25/96/81/174259681.db2.gz WURTZKAPFQCRCW-SSDOTTSWSA-N 0 3 282.365 2.088 10 0 CEAEHN CSCC[C@H](N)C(=O)N1CCc2sccc2[C@H]1C ZINC000040469128 174277375 /nfs/dbraw/zinc/27/73/75/174277375.db2.gz LNWUPCSZWIKSFS-KOLCDFICSA-N 0 3 284.450 2.274 10 0 CEAEHN COc1ccc([C@@H](C)NC(=O)C2(N)CCCC2)cc1OC ZINC000040491290 174292283 /nfs/dbraw/zinc/29/22/83/174292283.db2.gz JZONZTQGIOAOLK-LLVKDONJSA-N 0 3 292.379 2.153 10 0 CEAEHN CC(C)[C@@H](N)C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492087 174293038 /nfs/dbraw/zinc/29/30/38/174293038.db2.gz FKGNHSRLHZCJRG-GFCCVEGCSA-N 0 3 252.383 2.222 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000040629959 174357625 /nfs/dbraw/zinc/35/76/25/174357625.db2.gz XOXGFEPYCKFRGK-GZMMTYOYSA-N 0 3 289.162 2.309 10 0 CEAEHN Cn1ccnc1CCNCc1ccc(F)cc1F ZINC000040638520 174363090 /nfs/dbraw/zinc/36/30/90/174363090.db2.gz CYLJVTFWYKFOSE-UHFFFAOYSA-N 0 3 251.280 2.031 10 0 CEAEHN CC(C)Oc1cccc([C@H](CN)N2CCOC[C@@H]2C)c1 ZINC000040641177 174364667 /nfs/dbraw/zinc/36/46/67/174364667.db2.gz KVCNUOIWROUYIA-BBRMVZONSA-N 0 3 278.396 2.194 10 0 CEAEHN CNCc1c(Oc2ccc(CO)cc2)nc2ccccn21 ZINC000040711265 174381038 /nfs/dbraw/zinc/38/10/38/174381038.db2.gz PUJGPPBCTDEWJH-UHFFFAOYSA-N 0 3 283.331 2.338 10 0 CEAEHN CN(C)C[C@@H](O)CNc1ccc(F)c(C(F)(F)F)c1 ZINC000040712841 174381041 /nfs/dbraw/zinc/38/10/41/174381041.db2.gz IMNPQTDYMWAHJE-VIFPVBQESA-N 0 3 280.265 2.179 10 0 CEAEHN Cc1nn([C@H]2COc3ccccc3[C@@H]2N)c(C)c1C ZINC000040729832 174388172 /nfs/dbraw/zinc/38/81/72/174388172.db2.gz FAKCXUPJEMFVNN-ZFWWWQNUSA-N 0 3 257.337 2.442 10 0 CEAEHN Cc1ccc(Oc2ncnc(NN(C)C)c2N)cc1C ZINC000040760148 174396686 /nfs/dbraw/zinc/39/66/86/174396686.db2.gz WTXJIBYPMMFFMP-UHFFFAOYSA-N 0 3 273.340 2.356 10 0 CEAEHN Cc1ccc(Oc2ncnc(NN(C)C)c2N)cc1 ZINC000040760055 174396927 /nfs/dbraw/zinc/39/69/27/174396927.db2.gz WUMOUELABOMXNJ-UHFFFAOYSA-N 0 3 259.313 2.048 10 0 CEAEHN Fc1cc(Cl)ccc1CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000404289482 414778900 /nfs/dbraw/zinc/77/89/00/414778900.db2.gz ZPDPTFPMDXHCLM-ZIAGYGMSSA-N 0 3 284.762 2.042 10 0 CEAEHN Cc1ccc(C)c(C(=O)N(C)[C@@H](CN)C(F)(F)F)c1 ZINC000662974785 414815356 /nfs/dbraw/zinc/81/53/56/414815356.db2.gz ACHXQUDADIQJTP-NSHDSACASA-N 0 3 274.286 2.265 10 0 CEAEHN Cc1nc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)co1 ZINC000660464478 414835276 /nfs/dbraw/zinc/83/52/76/414835276.db2.gz LLTKINIFUFEALW-RRFJBIMHSA-N 0 3 264.369 2.499 10 0 CEAEHN CC(C)n1ccnc1CNC[C@@H]1CCCC[C@@H]1O ZINC000657372252 414892078 /nfs/dbraw/zinc/89/20/78/414892078.db2.gz DXGBGNLZHWYZSN-STQMWFEESA-N 0 3 251.374 2.105 10 0 CEAEHN CC(C)N(CCC(N)=S)[C@H](C)C(=O)NC1CCCCC1 ZINC000042529112 174778892 /nfs/dbraw/zinc/77/88/92/174778892.db2.gz HMEBSKAJJTZKAA-GFCCVEGCSA-N 0 3 299.484 2.210 10 0 CEAEHN COCc1nc(CNC[C@H]2CCOC2(C)C)cs1 ZINC000657786227 415076612 /nfs/dbraw/zinc/07/66/12/415076612.db2.gz RHAVUZGZBSGDSP-SNVBAGLBSA-N 0 3 270.398 2.194 10 0 CEAEHN CON(C)[C@@H](c1ccc(Br)s1)[C@@H](C)N ZINC000043261020 174995567 /nfs/dbraw/zinc/99/55/67/174995567.db2.gz LMGWVJCRZFLIDO-HZGVNTEJSA-N 0 3 279.203 2.392 10 0 CEAEHN N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043299903 175000281 /nfs/dbraw/zinc/00/02/81/175000281.db2.gz PSMBNAWYTCOPES-GZMMTYOYSA-N 0 3 293.310 2.140 10 0 CEAEHN CCN[C@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300988 175001635 /nfs/dbraw/zinc/00/16/35/175001635.db2.gz FWJJNIGWFWWCAS-GWCFXTLKSA-N 0 3 287.812 2.425 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1[C@@H](c1ccco1)[C@@H](C)N ZINC000043334965 175011379 /nfs/dbraw/zinc/01/13/79/175011379.db2.gz FIEAKASWZCBMGH-HKUMRIAESA-N 0 3 252.358 2.167 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccco1)N1CCOCC1(C)C ZINC000043335707 175011445 /nfs/dbraw/zinc/01/14/45/175011445.db2.gz SMIIOMCLRCZNCI-AAEUAGOBSA-N 0 3 252.358 2.169 10 0 CEAEHN C[C@H](N)[C@H](Oc1cccc(S(C)(=O)=O)c1)c1ccco1 ZINC000043337849 175012577 /nfs/dbraw/zinc/01/25/77/175012577.db2.gz LARCWPACZXGZNY-HZMBPMFUSA-N 0 3 295.360 2.150 10 0 CEAEHN C[C@H](N)[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000043337841 175012586 /nfs/dbraw/zinc/01/25/86/175012586.db2.gz JUYAUPTXLIQEHN-IINYFYTJSA-N 0 3 295.360 2.150 10 0 CEAEHN NC[C@@H](c1ccccn1)N1CCC[C@@H]1c1cccnc1 ZINC000043339364 175013752 /nfs/dbraw/zinc/01/37/52/175013752.db2.gz MVRASFKTZRBIBU-CVEARBPZSA-N 0 3 268.364 2.314 10 0 CEAEHN NC[C@@H](Oc1ccc(F)cc1F)c1ccncc1 ZINC000043355122 175023203 /nfs/dbraw/zinc/02/32/03/175023203.db2.gz HOOMGVBROHQAPX-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN Cc1ccc([C@H]([C@H](C)N)N(C)C[C@@H]2CCCCO2)o1 ZINC000043364771 175025657 /nfs/dbraw/zinc/02/56/57/175025657.db2.gz KQUSRMTULMPPEA-YDHLFZDLSA-N 0 3 266.385 2.477 10 0 CEAEHN Cc1ccc([C@@H]([C@H](C)N)N(C)C[C@@H]2CCCCO2)o1 ZINC000043364770 175025821 /nfs/dbraw/zinc/02/58/21/175025821.db2.gz KQUSRMTULMPPEA-KCQAQPDRSA-N 0 3 266.385 2.477 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)o1)N(C)Cc1cnn(C)c1 ZINC000043364817 175025976 /nfs/dbraw/zinc/02/59/76/175025976.db2.gz YKVPRGZIDZXGTF-HIFRSBDPSA-N 0 3 276.384 2.232 10 0 CEAEHN Cc1cc(C)cc([C@H](CN)N2CCOC(C)(C)C2)c1 ZINC000043394185 175034823 /nfs/dbraw/zinc/03/48/23/175034823.db2.gz RSHHECKYMUPWOJ-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN CCN[C@H](CN1CCN(C)CC1)c1cc2ccccc2o1 ZINC000043810851 175110546 /nfs/dbraw/zinc/11/05/46/175110546.db2.gz HHPJOUHMRSURNW-OAHLLOKOSA-N 0 3 287.407 2.331 10 0 CEAEHN CCN(C[C@@H](NC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043821361 175114579 /nfs/dbraw/zinc/11/45/79/175114579.db2.gz DOXVHOKCXKJYFP-CYBMUJFWSA-N 0 3 262.353 2.160 10 0 CEAEHN CCCN[C@H](CN1CCOC[C@@H]1C)c1ccccc1OC ZINC000043891766 175118630 /nfs/dbraw/zinc/11/86/30/175118630.db2.gz FXHFYVHABBWXCB-GOEBONIOSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@@H](CN1CCOC(C)(C)C1)c1ccc(OC)cc1 ZINC000043897651 175120720 /nfs/dbraw/zinc/12/07/20/175120720.db2.gz XPCJTKMULJVSGM-HNNXBMFYSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](CN(C)CCOC)c1cc2ccccc2o1 ZINC000043915585 175125108 /nfs/dbraw/zinc/12/51/08/175125108.db2.gz OCOLEGXRXWKZIO-CYBMUJFWSA-N 0 3 262.353 2.272 10 0 CEAEHN CCOc1ccccc1[C@@H](CN(C)C[C@@H]1CCCO1)NC ZINC000043965897 175127125 /nfs/dbraw/zinc/12/71/25/175127125.db2.gz WIQPIFCWUOPCJG-GOEBONIOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN(CCOC)C[C@H](NC)c1cc(C)ccc1OC ZINC000043968547 175130003 /nfs/dbraw/zinc/13/00/03/175130003.db2.gz LIGNUFDTUCEEIM-HNNXBMFYSA-N 0 3 280.412 2.232 10 0 CEAEHN COc1ccc([C@@H](O)CN2CCC[C@@H](C)C2)c(OC)c1 ZINC000044117437 175142223 /nfs/dbraw/zinc/14/22/23/175142223.db2.gz ZMESKRSRZGBIDU-DOMZBBRYSA-N 0 3 279.380 2.469 10 0 CEAEHN O=C1NCCCC[C@H]1N[C@@H]1CCCc2cc(O)ccc21 ZINC000044747167 175242660 /nfs/dbraw/zinc/24/26/60/175242660.db2.gz MESIJWZDDZIFKR-HUUCEWRRSA-N 0 3 274.364 2.028 10 0 CEAEHN Oc1ccc2c(c1)CCC[C@@H]2NCCn1cccn1 ZINC000044747505 175243277 /nfs/dbraw/zinc/24/32/77/175243277.db2.gz TXIHBCCIYPJSLB-HNNXBMFYSA-N 0 3 257.337 2.256 10 0 CEAEHN C[C@@H](CNc1cc(Cl)ncn1)N1CCCCC1 ZINC000045014494 175290910 /nfs/dbraw/zinc/29/09/10/175290910.db2.gz MIIOLWQYFVCVRU-JTQLQIEISA-N 0 3 254.765 2.416 10 0 CEAEHN C[C@H](CNc1cncc(Cl)n1)N1CCCCC1 ZINC000045014501 175290928 /nfs/dbraw/zinc/29/09/28/175290928.db2.gz VOACPYNCBJUDKY-SNVBAGLBSA-N 0 3 254.765 2.416 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccc1CN)N(C)CC(C)(C)C ZINC000045068456 175299900 /nfs/dbraw/zinc/29/99/00/175299900.db2.gz JSCMFFNIURGUBH-LBPRGKRZSA-N 0 3 277.412 2.450 10 0 CEAEHN CCC(CC)NC(=O)[C@@H](C)NCCOCCC(C)C ZINC000045106863 175308339 /nfs/dbraw/zinc/30/83/39/175308339.db2.gz RFCCJWRDCFDEPS-CYBMUJFWSA-N 0 3 272.433 2.332 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCN2CCCC2)c1C ZINC000045168259 175319413 /nfs/dbraw/zinc/31/94/13/175319413.db2.gz JXXZWRUODQOZOB-LBPRGKRZSA-N 0 3 264.417 2.266 10 0 CEAEHN CCCCN(CC)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045223317 175331277 /nfs/dbraw/zinc/33/12/77/175331277.db2.gz SMOSCLKGJNCBGA-OAHLLOKOSA-N 0 3 272.433 2.428 10 0 CEAEHN CCOC(=O)[C@](N)(CN1CCCCCC1)c1ccccc1 ZINC000045228669 175334358 /nfs/dbraw/zinc/33/43/58/175334358.db2.gz NFXRAOZIWKWNRS-KRWDZBQOSA-N 0 3 290.407 2.280 10 0 CEAEHN CCCN(C[C@@](N)(C(=O)OC)c1ccccc1)C(C)C ZINC000045266682 175339210 /nfs/dbraw/zinc/33/92/10/175339210.db2.gz GGAFQFAHJVZDSH-INIZCTEOSA-N 0 3 278.396 2.134 10 0 CEAEHN CCCN(C[C@](N)(C(=O)OCC)c1ccccc1)C1CC1 ZINC000045267779 175339918 /nfs/dbraw/zinc/33/99/18/175339918.db2.gz QVHUIJIJYUXWEX-QGZVFWFLSA-N 0 3 290.407 2.278 10 0 CEAEHN CCC(CC)N(C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045269585 175341189 /nfs/dbraw/zinc/34/11/89/175341189.db2.gz SYVSENPQZDMHLE-KRWDZBQOSA-N 0 3 292.423 2.395 10 0 CEAEHN CCC(CC)[N@H+](C)CC[C@@](C)(NC1CC1)C(=O)[O-] ZINC000045269699 175341738 /nfs/dbraw/zinc/34/17/38/175341738.db2.gz DFYGOQAASSCWJH-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CCC(CC)[N@@H+](C)CC[C@@](C)(NC1CC1)C(=O)[O-] ZINC000045269699 175341739 /nfs/dbraw/zinc/34/17/39/175341739.db2.gz DFYGOQAASSCWJH-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN[C@](C)(CN(CC)c1cccc(C)c1)C(N)=O ZINC000045273185 175344041 /nfs/dbraw/zinc/34/40/41/175344041.db2.gz PKFKQAAHUJPXJC-MRXNPFEDSA-N 0 3 277.412 2.065 10 0 CEAEHN CCN[C@](CN(C)CC1CC1)(C(=O)OC)c1ccccc1 ZINC000045272919 175344118 /nfs/dbraw/zinc/34/41/18/175344118.db2.gz ZMIKSIZSRYABCB-KRWDZBQOSA-N 0 3 290.407 2.006 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280731 175351345 /nfs/dbraw/zinc/35/13/45/175351345.db2.gz AOKQPYBNDXTDKG-AWEZNQCLSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000045280731 175351346 /nfs/dbraw/zinc/35/13/46/175351346.db2.gz AOKQPYBNDXTDKG-AWEZNQCLSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCC[N@H+](CC[C@@](C)(NC)C(=O)[O-])[C@@H](C)CC ZINC000045282594 175352399 /nfs/dbraw/zinc/35/23/99/175352399.db2.gz IVCIBOFFDXRJSH-GXTWGEPZSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCC[N@@H+](CC[C@@](C)(NC)C(=O)[O-])[C@@H](C)CC ZINC000045282594 175352400 /nfs/dbraw/zinc/35/24/00/175352400.db2.gz IVCIBOFFDXRJSH-GXTWGEPZSA-N 0 3 258.406 2.340 10 0 CEAEHN CC[NH2+][C@@](C)(CCN(C)CC1CCCCC1)C(=O)[O-] ZINC000045281607 175352805 /nfs/dbraw/zinc/35/28/05/175352805.db2.gz ZYZBRRBGRBCJJX-HNNXBMFYSA-N 0 3 270.417 2.341 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281607 175352806 /nfs/dbraw/zinc/35/28/06/175352806.db2.gz ZYZBRRBGRBCJJX-HNNXBMFYSA-N 0 3 270.417 2.341 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](C)CC1CCCCC1)C(=O)[O-] ZINC000045281607 175352807 /nfs/dbraw/zinc/35/28/07/175352807.db2.gz ZYZBRRBGRBCJJX-HNNXBMFYSA-N 0 3 270.417 2.341 10 0 CEAEHN N[C@H]1CCC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070824607 176008074 /nfs/dbraw/zinc/00/80/74/176008074.db2.gz JTMMOFRMUFNJSL-GXSJLCMTSA-N 0 3 259.136 2.272 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c(F)cccc1F ZINC000070987291 176018683 /nfs/dbraw/zinc/01/86/83/176018683.db2.gz OZVBJVISSQVGKD-BXUZGUMPSA-N 0 3 266.291 2.118 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000070987095 176018702 /nfs/dbraw/zinc/01/87/02/176018702.db2.gz FDMUXUXCCHZUQM-SMDDNHRTSA-N 0 3 284.281 2.257 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000071032938 176023773 /nfs/dbraw/zinc/02/37/73/176023773.db2.gz UWSZRBGDOJKKQU-GFCCVEGCSA-N 0 3 254.280 2.068 10 0 CEAEHN CCCN[C@@H]1CCN(c2cccc3cccnc32)C1=O ZINC000071037597 176026319 /nfs/dbraw/zinc/02/63/19/176026319.db2.gz KMHKYPPLIVKWRO-CYBMUJFWSA-N 0 3 269.348 2.340 10 0 CEAEHN CC(C)N[C@H]1CCN(c2cccc3ncccc32)C1=O ZINC000071037554 176026738 /nfs/dbraw/zinc/02/67/38/176026738.db2.gz ITKIJZAORFXFMV-AWEZNQCLSA-N 0 3 269.348 2.338 10 0 CEAEHN CC[C@H](c1ccccc1)N1CC[C@H](NC2CC2)C1=O ZINC000071041852 176028035 /nfs/dbraw/zinc/02/80/35/176028035.db2.gz UOXXCWHLXRNHBV-LSDHHAIUSA-N 0 3 258.365 2.491 10 0 CEAEHN C[C@H](C1CCCC1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071043965 176029756 /nfs/dbraw/zinc/02/97/56/176029756.db2.gz LFUYUOOJFSYHGW-BXUZGUMPSA-N 0 3 250.386 2.308 10 0 CEAEHN CN1CC[C@@H](NCc2cccc3ccccc32)C1=O ZINC000071183839 176058977 /nfs/dbraw/zinc/05/89/77/176058977.db2.gz UMQWTRBGZZDFPV-OAHLLOKOSA-N 0 3 254.333 2.160 10 0 CEAEHN CC(C)[C@@H](N[C@H]1CCN(C)C1=O)c1cccs1 ZINC000071183739 176059067 /nfs/dbraw/zinc/05/90/67/176059067.db2.gz CRPKEVKFGQPBCD-CMPLNLGQSA-N 0 3 252.383 2.266 10 0 CEAEHN COc1ccc(C2CC(NCc3ccnn3C)C2)cc1 ZINC000071333362 176126189 /nfs/dbraw/zinc/12/61/89/176126189.db2.gz IULJGJXDHOABIH-UHFFFAOYSA-N 0 3 271.364 2.465 10 0 CEAEHN Cn1nccc1CN[C@H]1CCCc2cc(O)ccc21 ZINC000071333675 176126504 /nfs/dbraw/zinc/12/65/04/176126504.db2.gz GSYGNRTWLNMIHR-HNNXBMFYSA-N 0 3 257.337 2.293 10 0 CEAEHN Cc1ccncc1NC(=O)C[C@H](N)c1ccccc1 ZINC000071414229 176159600 /nfs/dbraw/zinc/15/96/00/176159600.db2.gz ROXMCXWUDOIIMT-ZDUSSCGKSA-N 0 3 255.321 2.419 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCCC2)cc1Cl ZINC000071576291 176203888 /nfs/dbraw/zinc/20/38/88/176203888.db2.gz ZASWHDTUCWEJAP-GFCCVEGCSA-N 0 3 254.761 2.444 10 0 CEAEHN CNCC(=O)N[C@H](C)c1cc(C(C)C)ccc1OC ZINC000076368854 177006028 /nfs/dbraw/zinc/00/60/28/177006028.db2.gz XLAXKANKFPEBGY-LLVKDONJSA-N 0 3 264.369 2.215 10 0 CEAEHN C[C@H]1COC[C@@]2(CCCN(Cc3ccccc3)C2)N1 ZINC000076698228 177061557 /nfs/dbraw/zinc/06/15/57/177061557.db2.gz IVHHEJJAJCUDFZ-HOCLYGCPSA-N 0 3 260.381 2.030 10 0 CEAEHN CCSc1ccc(NC(=O)CNC2CC2)cc1 ZINC000077432307 177268216 /nfs/dbraw/zinc/26/82/16/177268216.db2.gz TUPGLFCTZKIXEV-UHFFFAOYSA-N 0 3 250.367 2.489 10 0 CEAEHN CCC[C@@H](C)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000187683010 270255415 /nfs/dbraw/zinc/25/54/15/270255415.db2.gz JXZNEQMRVHFYQW-VXGBXAGGSA-N 0 3 266.389 2.245 10 0 CEAEHN CCC1CCC(NC(=O)[C@@H]2C[C@@H](C)CCN2)CC1 ZINC000127005526 264246239 /nfs/dbraw/zinc/24/62/39/264246239.db2.gz ZUBJOQAESFEWCG-ABXWRUBCSA-N 0 3 252.402 2.460 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCc2ccc(F)cc2)C1 ZINC000194311029 270295969 /nfs/dbraw/zinc/29/59/69/270295969.db2.gz LNFRFBZNCTUHTL-HNNXBMFYSA-N 0 3 293.386 2.152 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@H](O)C2CCC2)c1C ZINC000316292760 270334267 /nfs/dbraw/zinc/33/42/67/270334267.db2.gz ZLVGFNRAAPBEMH-HZMBPMFUSA-N 0 3 265.401 2.331 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC2([S@](C)=O)CCC2)c1C ZINC000393705233 270343795 /nfs/dbraw/zinc/34/37/95/270343795.db2.gz KAYJSUKDQLOLNQ-GIPWTMENSA-N 0 3 297.468 2.472 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1ccc(F)c(F)c1 ZINC000398968271 270365180 /nfs/dbraw/zinc/36/51/80/270365180.db2.gz SWAWOFRMETZWRL-SDBXPKJASA-N 0 3 268.307 2.269 10 0 CEAEHN CSCCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000152019107 274175880 /nfs/dbraw/zinc/17/58/80/274175880.db2.gz IOURDPRFEKVEGP-AWEZNQCLSA-N 0 3 295.452 2.342 10 0 CEAEHN Cc1nc(N2CCNC(C)(C)C2)ccc1Br ZINC000235932102 274841621 /nfs/dbraw/zinc/84/16/21/274841621.db2.gz JCIBXKXAIPLJKN-UHFFFAOYSA-N 0 3 284.201 2.341 10 0 CEAEHN CCC[C@H](C(=O)N[C@H]1CCOc2ccccc21)N(C)C ZINC000179334094 276039043 /nfs/dbraw/zinc/03/90/43/276039043.db2.gz JOQUTFPJNAHLIN-UONOGXRCSA-N 0 3 276.380 2.357 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N(C)C ZINC000252735894 276039075 /nfs/dbraw/zinc/03/90/75/276039075.db2.gz RZUNSTMQLSIINQ-GBJTYRQASA-N 0 3 294.439 2.181 10 0 CEAEHN CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3CCCC[C@H]3C2)C1(C)C ZINC000249075512 276356503 /nfs/dbraw/zinc/35/65/03/276356503.db2.gz NIWOHWLRRCEGBA-ZJOBFFGXSA-N 0 3 294.439 2.168 10 0 CEAEHN CN(C)[C@@H]1CCN(c2ncc(C(F)(F)F)s2)C1 ZINC000276756590 276837825 /nfs/dbraw/zinc/83/78/25/276837825.db2.gz INMYHIGLPHJILU-SSDOTTSWSA-N 0 3 265.304 2.302 10 0 CEAEHN CN1CC[C@@]2(CCN(C(=O)N[C@H]3CCc4ccccc43)C2)C1 ZINC000291575404 277159724 /nfs/dbraw/zinc/15/97/24/277159724.db2.gz DORSAOAXFVPEEA-FUHWJXTLSA-N 0 3 299.418 2.411 10 0 CEAEHN COC(=O)[C@H](C)CN1CCc2sccc2[C@H]1C ZINC000049538407 277381304 /nfs/dbraw/zinc/38/13/04/277381304.db2.gz UGIGEDOCVYIGPA-NXEZZACHSA-N 0 3 253.367 2.476 10 0 CEAEHN CC1(C)CCCC[C@H]1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000176797398 278209912 /nfs/dbraw/zinc/20/99/12/278209912.db2.gz MTTQPPIBHBDFKB-ZIAGYGMSSA-N 0 3 279.428 2.445 10 0 CEAEHN C[C@H]1CC(C(=O)N2CC[C@H](N(C)C)C2)C[C@H](C)C1 ZINC000180037696 278322841 /nfs/dbraw/zinc/32/28/41/278322841.db2.gz DJMIRZIMQFSBAV-BZPMIXESSA-N 0 3 252.402 2.221 10 0 CEAEHN CC[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1ccsc1 ZINC000296539419 288064920 /nfs/dbraw/zinc/06/49/20/288064920.db2.gz SECLMSPSQSOBKO-ADEWGFFLSA-N 0 3 252.383 2.456 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H]1CCOc2ccccc21)N(C)C ZINC000154172091 278921733 /nfs/dbraw/zinc/92/17/33/278921733.db2.gz BSRSZEUEENFBBO-DZGCQCFKSA-N 0 3 290.407 2.399 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1N[C@@H]1CCc2c1cccc2F ZINC000282048616 279028681 /nfs/dbraw/zinc/02/86/81/279028681.db2.gz AYCGAHJMUKLUJR-CUOATXAZSA-N 0 3 262.328 2.070 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H](C)C1 ZINC000121653407 279124197 /nfs/dbraw/zinc/12/41/97/279124197.db2.gz SSPOUWDEHIJSMK-UONOGXRCSA-N 0 3 269.433 2.404 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(C(C)C)n(C)n1 ZINC000174134045 279131997 /nfs/dbraw/zinc/13/19/97/279131997.db2.gz KULPWWTVWMIIOF-CYBMUJFWSA-N 0 3 294.443 2.250 10 0 CEAEHN C[C@@H](CCc1cccc(F)c1)N1CCCNC(=O)[C@H]1C ZINC000189093697 280142871 /nfs/dbraw/zinc/14/28/71/280142871.db2.gz VLBBHFKYXUIOKI-QWHCGFSZSA-N 0 3 278.371 2.357 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CCCCN1 ZINC000136147959 280150355 /nfs/dbraw/zinc/15/03/55/280150355.db2.gz HCJKANFBJOPAKE-CYBMUJFWSA-N 0 3 298.289 2.479 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@@H](C)CC[C@H]2C)C1 ZINC000245675491 280255717 /nfs/dbraw/zinc/25/57/17/280255717.db2.gz FTOYYESCZGGULK-MJBXVCDLSA-N 0 3 267.417 2.301 10 0 CEAEHN Cc1cccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1[O-] ZINC000246487650 280296749 /nfs/dbraw/zinc/29/67/49/280296749.db2.gz QZOSPKCAEAEDDW-TZMCWYRMSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[O-] ZINC000246487650 280296752 /nfs/dbraw/zinc/29/67/52/280296752.db2.gz QZOSPKCAEAEDDW-TZMCWYRMSA-N 0 3 276.380 2.159 10 0 CEAEHN CN1CCC[C@@H](CNC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000247563944 280333731 /nfs/dbraw/zinc/33/37/31/280333731.db2.gz VHPIBLMGZOUKTB-KBPBESRZSA-N 0 3 291.395 2.468 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000249138788 280386521 /nfs/dbraw/zinc/38/65/21/280386521.db2.gz XJYBFRVMLMGODK-HZSPNIEDSA-N 0 3 267.417 2.301 10 0 CEAEHN Cc1ccc2c(c1)OCCC[C@@H]2NC[C@H]1CN(C)CCO1 ZINC000180495660 281078978 /nfs/dbraw/zinc/07/89/78/281078978.db2.gz CCNLBRBOQNWMMC-HOCLYGCPSA-N 0 3 290.407 2.129 10 0 CEAEHN Cc1ccc2nccc(N3CCO[C@H](CN(C)C)C3)c2c1 ZINC000185655199 281169640 /nfs/dbraw/zinc/16/96/40/281169640.db2.gz NLWGMSUFPCMIGF-CQSZACIVSA-N 0 3 285.391 2.310 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000174968836 288311264 /nfs/dbraw/zinc/31/12/64/288311264.db2.gz SGHQBQWAHAGYMV-QWHCGFSZSA-N 0 3 293.798 2.434 10 0 CEAEHN COCCN1CCN(CCCSCC(C)C)C[C@H]1C ZINC000152609368 289094295 /nfs/dbraw/zinc/09/42/95/289094295.db2.gz JRAOOFMCDPODCF-OAHLLOKOSA-N 0 3 288.501 2.418 10 0 CEAEHN CCC[C@H](NC[C@H]1CCCN1CC(C)C)C(=O)OCC ZINC000155209960 289168161 /nfs/dbraw/zinc/16/81/61/289168161.db2.gz HNINOEKAFBHVHU-CABCVRRESA-N 0 3 284.444 2.428 10 0 CEAEHN Cc1cnc(CCN(C)C[C@H](O)COC(C)(C)C)s1 ZINC000157833857 289222901 /nfs/dbraw/zinc/22/29/01/289222901.db2.gz XICUTVSOIKTZMR-LBPRGKRZSA-N 0 3 286.441 2.102 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000184272634 289288056 /nfs/dbraw/zinc/28/80/56/289288056.db2.gz GXXJGUSMICQHFZ-ZFWWWQNUSA-N 0 3 258.365 2.097 10 0 CEAEHN CN1CC[C@@](O)(c2ccccc2CO)[C@H](c2ccccc2)C1 ZINC000066354573 290184093 /nfs/dbraw/zinc/18/40/93/290184093.db2.gz VEFVMTWOCWGCAI-RBUKOAKNSA-N 0 3 297.398 2.486 10 0 CEAEHN CCOC(OCC)[C@H](Cc1cccc(OC)c1)NC ZINC000093306714 517694599 /nfs/dbraw/zinc/69/45/99/517694599.db2.gz SCHGNUAQPIQKOD-AWEZNQCLSA-N 0 3 267.369 2.225 10 0 CEAEHN NCc1cc(C2OCCO2)c(Br)s1 ZINC000536952632 330382596 /nfs/dbraw/zinc/38/25/96/330382596.db2.gz CXEDNZBXACYZCH-UHFFFAOYSA-N 0 3 264.144 2.015 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000061299088 519908222 /nfs/dbraw/zinc/90/82/22/519908222.db2.gz UNLGJHJCBJLLRG-UHFFFAOYSA-N 0 3 267.398 2.349 10 0 CEAEHN CCNCc1cnc(N2CCO[C@H]3CCC[C@@H]32)s1 ZINC000054907043 520016297 /nfs/dbraw/zinc/01/62/97/520016297.db2.gz HXIGHTZTELUWSI-RYUDHWBXSA-N 0 3 267.398 2.010 10 0 CEAEHN CCNCc1ccoc1Cn1cc(Br)cn1 ZINC000052577429 520012456 /nfs/dbraw/zinc/01/24/56/520012456.db2.gz RPOXEMIIPLANCQ-UHFFFAOYSA-N 0 3 284.157 2.396 10 0 CEAEHN CCN[C@@H](c1cc(C)sc1C)[C@@H]1COCCO1 ZINC000055300143 520107614 /nfs/dbraw/zinc/10/76/14/520107614.db2.gz XTQYTYNRNJDKRV-STQMWFEESA-N 0 3 255.383 2.431 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1cc(C)cc(C)c1)C(N)=O ZINC000068656141 520147119 /nfs/dbraw/zinc/14/71/19/520147119.db2.gz QELGDISZLDGWJW-BBRMVZONSA-N 0 3 278.396 2.314 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC ZINC000062747035 520178855 /nfs/dbraw/zinc/17/88/55/520178855.db2.gz QFHGBCPJMORMHK-ZJUUUORDSA-N 0 3 268.332 2.010 10 0 CEAEHN CCOC(=O)CC(=O)CN(CC)C1CCCCC1 ZINC000068813556 520590941 /nfs/dbraw/zinc/59/09/41/520590941.db2.gz GBDRSGQLAJAGQX-UHFFFAOYSA-N 0 3 255.358 2.163 10 0 CEAEHN CCOC(=O)[C@](CN1[C@H](C)CCC[C@@H]1C)(NC)C1CC1 ZINC000069096131 521340978 /nfs/dbraw/zinc/34/09/78/521340978.db2.gz PXRBAFLYZROTOH-DVOMOZLQSA-N 0 3 282.428 2.181 10 0 CEAEHN CCCc1nc(N2CCOC[C@@H]2CC)sc1CNC ZINC000054997940 521531949 /nfs/dbraw/zinc/53/19/49/521531949.db2.gz YUYPZHCKIBAFBE-NSHDSACASA-N 0 3 283.441 2.430 10 0 CEAEHN CCN1CCC(O)(c2ccc(OC)c(OC)c2)CC1 ZINC000055192440 521583531 /nfs/dbraw/zinc/58/35/31/521583531.db2.gz BSKWSJPOXXLMPU-UHFFFAOYSA-N 0 3 265.353 2.007 10 0 CEAEHN CNCCS(=O)(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000049629894 522013968 /nfs/dbraw/zinc/01/39/68/522013968.db2.gz GARUCPVKAZEIEF-UHFFFAOYSA-N 0 3 297.207 2.263 10 0 CEAEHN CNCc1cc(F)c(-n2nc(C)cc2C)c(F)c1 ZINC000062719542 522109977 /nfs/dbraw/zinc/10/99/77/522109977.db2.gz YPWOGGRGKKKNTN-UHFFFAOYSA-N 0 3 251.280 2.487 10 0 CEAEHN CN[C@@H](C)c1cnc(N2CCOCC2(C)C)s1 ZINC000054909180 522336833 /nfs/dbraw/zinc/33/68/33/522336833.db2.gz PCBGGTCJGBIPKN-VIFPVBQESA-N 0 3 255.387 2.039 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1ccc(F)cc1F)C(F)(F)F ZINC000062784609 522341040 /nfs/dbraw/zinc/34/10/40/522341040.db2.gz JUYQBSSLNYTEQL-UWVGGRQHSA-N 0 3 269.213 2.452 10 0 CEAEHN CN[C@@](C)(CCS[C@H]1CCC[C@@H](C)C1)C(N)=O ZINC000054695836 522412525 /nfs/dbraw/zinc/41/25/25/522412525.db2.gz NIGYVYSYAXIXEA-MDZLAQPJSA-N 0 3 258.431 2.152 10 0 CEAEHN CC(C)C[C@H](N)C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547304 519370349 /nfs/dbraw/zinc/37/03/49/519370349.db2.gz PXKMUQFZQUUPNF-PWSUYJOCSA-N 0 3 250.342 2.052 10 0 CEAEHN CC(C)NCc1c(Cl)cccc1N1CC[C@H](O)C1 ZINC000061711278 519726429 /nfs/dbraw/zinc/72/64/29/519726429.db2.gz BSHSEIINRHMHBI-NSHDSACASA-N 0 3 268.788 2.409 10 0 CEAEHN CC(C)NCc1ccoc1CN1CCN(CC2CC2)CC1 ZINC000052372442 519728058 /nfs/dbraw/zinc/72/80/58/519728058.db2.gz YBEANOGWORWFDE-UHFFFAOYSA-N 0 3 291.439 2.305 10 0 CEAEHN CC(C)NCc1occc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000052380449 519730043 /nfs/dbraw/zinc/73/00/43/519730043.db2.gz ZMIYKQJRECNBCZ-CHWSQXEVSA-N 0 3 266.385 2.387 10 0 CEAEHN CC(C)N[C@@H](CCN1c2ccccc2CC[C@@H]1C)C(N)=O ZINC000062436707 519733967 /nfs/dbraw/zinc/73/39/67/519733967.db2.gz UDOZJRWNTZSAKT-ZFWWWQNUSA-N 0 3 289.423 2.070 10 0 CEAEHN CC(=O)Nc1ccc([C@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000054682914 519734539 /nfs/dbraw/zinc/73/45/39/519734539.db2.gz ZLQSURNZDYZUTF-HOTGVXAUSA-N 0 3 270.332 2.378 10 0 CEAEHN CC(C)CNCc1occc1CN1CCO[C@H](C)C1 ZINC000052382745 519749432 /nfs/dbraw/zinc/74/94/32/519749432.db2.gz AVPAFWYZZAVKOL-CYBMUJFWSA-N 0 3 266.385 2.246 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NCc1nccn1C(F)F ZINC000049555912 519775992 /nfs/dbraw/zinc/77/59/92/519775992.db2.gz WUVUBMXPIYNXSV-NSHDSACASA-N 0 3 274.359 2.344 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)Nc1nnnn1-c1ccccc1 ZINC000049558261 519776178 /nfs/dbraw/zinc/77/61/78/519776178.db2.gz MEGLGLJGTDTFDH-ZDUSSCGKSA-N 0 3 288.399 2.051 10 0 CEAEHN CC(C)Oc1cccc(C(=O)N2[C@@H](C)CNC[C@@H]2C)c1 ZINC000069132906 519782306 /nfs/dbraw/zinc/78/23/06/519782306.db2.gz HAPSZTVDOFGSGL-STQMWFEESA-N 0 3 276.380 2.296 10 0 CEAEHN CC(C)[C@H](CN(C)C)N[C@H](c1ccco1)c1nccn1C ZINC000049198443 519814944 /nfs/dbraw/zinc/81/49/44/519814944.db2.gz KOLSFXXTTVXLOA-DZGCQCFKSA-N 0 3 290.411 2.278 10 0 CEAEHN CC(C)[C@H]1CCC(=O)[C@H](CN(CCO)C2CC2)C1 ZINC000054559348 519824529 /nfs/dbraw/zinc/82/45/29/519824529.db2.gz FLBZEYIXOXGGKN-STQMWFEESA-N 0 3 253.386 2.085 10 0 CEAEHN CC(C)C1N=NC(=S)N1[C@H](C)CN1CCCC1 ZINC000049184518 519890733 /nfs/dbraw/zinc/89/07/33/519890733.db2.gz WGKGJPUTCJNNMI-SNVBAGLBSA-N 0 3 254.403 2.347 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(NC(=O)CC)cc1 ZINC000061292054 519907579 /nfs/dbraw/zinc/90/75/79/519907579.db2.gz ZNTPFMBGZOARTB-UHFFFAOYSA-N 0 3 277.368 2.362 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1nc(CC)c(C)s1 ZINC000061299038 519907940 /nfs/dbraw/zinc/90/79/40/519907940.db2.gz KAYWAIYOQKACSL-UHFFFAOYSA-N 0 3 255.387 2.341 10 0 CEAEHN CCCNCc1cc(OC)ccc1OCCC(=O)OC ZINC000069316838 519946990 /nfs/dbraw/zinc/94/69/90/519946990.db2.gz XVZOOWKEHNRJJT-UHFFFAOYSA-N 0 3 281.352 2.137 10 0 CEAEHN CCCNCc1ccoc1CN1C[C@@H](C)OC[C@@H]1C ZINC000052476364 519959540 /nfs/dbraw/zinc/95/95/40/519959540.db2.gz FZQYLFQFJQPUPL-QWHCGFSZSA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1cc(C)nc(Cc2cccc(OC)c2)n1 ZINC000054831111 519986961 /nfs/dbraw/zinc/98/69/61/519986961.db2.gz GEXQYRBQGAAIJI-UHFFFAOYSA-N 0 3 271.364 2.494 10 0 CEAEHN CCNCc1ccc(Cn2cc(Br)cn2)o1 ZINC000052577443 519997910 /nfs/dbraw/zinc/99/79/10/519997910.db2.gz CQHUJZZARMVKLO-UHFFFAOYSA-N 0 3 284.157 2.396 10 0 CEAEHN CCOCCOCc1csc(CNCC(C)C)n1 ZINC000052603974 520004831 /nfs/dbraw/zinc/00/48/31/520004831.db2.gz ARDWSTPFVPXRHK-UHFFFAOYSA-N 0 3 272.414 2.442 10 0 CEAEHN CCNCc1cccc(N2CCC[C@@H](OCC)C2)n1 ZINC000051521200 520005011 /nfs/dbraw/zinc/00/50/11/520005011.db2.gz RABXPQXEDJQIJE-CQSZACIVSA-N 0 3 263.385 2.196 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1)[C@H]1COCCO1 ZINC000055300433 520018181 /nfs/dbraw/zinc/01/81/81/520018181.db2.gz XTELAPXCQLWKCD-CABCVRRESA-N 0 3 265.353 2.151 10 0 CEAEHN CCNCc1cnn([C@@H]2CCCCC[C@H]2O)c1C ZINC000054600497 520018618 /nfs/dbraw/zinc/01/86/18/520018618.db2.gz GLKDJPPJGSBCPT-ZIAGYGMSSA-N 0 3 251.374 2.167 10 0 CEAEHN CCNCc1nc(Cn2cnc(C)c2C)cs1 ZINC000052593865 520020188 /nfs/dbraw/zinc/02/01/88/520020188.db2.gz XANSPOPAMJLLCR-UHFFFAOYSA-N 0 3 250.371 2.114 10 0 CEAEHN CCNCc1nc(C(C)C)ncc1N(CCOC)C1CC1 ZINC000051487071 520020970 /nfs/dbraw/zinc/02/09/70/520020970.db2.gz DAKGGBCRUGHRPP-UHFFFAOYSA-N 0 3 292.427 2.325 10 0 CEAEHN CCN[C@@H](C)c1cnc(N(CC)CCOC)s1 ZINC000054908263 520080175 /nfs/dbraw/zinc/08/01/75/520080175.db2.gz RSIYPIMHUMESDY-JTQLQIEISA-N 0 3 257.403 2.286 10 0 CEAEHN CCCN[C@H](c1ccc(OC)c(C)c1)[C@H]1COCCO1 ZINC000055300745 520090001 /nfs/dbraw/zinc/09/00/01/520090001.db2.gz JRCSIKFGQYOOGW-HZPDHXFCSA-N 0 3 279.380 2.460 10 0 CEAEHN CCN[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O ZINC000049648582 520118770 /nfs/dbraw/zinc/11/87/70/520118770.db2.gz GGYCZEDSAYWDAL-GFCCVEGCSA-N 0 3 252.745 2.050 10 0 CEAEHN CCCN[C@](CN1CCCC(C)(C)C1)(C(=O)OC)C1CC1 ZINC000069517021 520120843 /nfs/dbraw/zinc/12/08/43/520120843.db2.gz IDPGSWDPVRNJOI-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCNc1ncccc1CN1CCN(C(C)C)CC1 ZINC000052721149 520197224 /nfs/dbraw/zinc/19/72/24/520197224.db2.gz GGKUHHBIBYHDDR-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CCN[C@H]1COc2cc(OC3CCOCC3)ccc21 ZINC000069289595 520221965 /nfs/dbraw/zinc/22/19/65/520221965.db2.gz AYAVQTKZKYENGZ-AWEZNQCLSA-N 0 3 263.337 2.287 10 0 CEAEHN CCN[C@H]1COc2cc(O[C@@H](C)C(=O)NC(C)C)ccc21 ZINC000062804846 520221999 /nfs/dbraw/zinc/22/19/99/520221999.db2.gz IVCXPPOILIHSJE-FZMZJTMJSA-N 0 3 292.379 2.022 10 0 CEAEHN CCCO[C@H]1CCCN(Cc2nc(NN)ccc2Cl)C1 ZINC000061638721 520286459 /nfs/dbraw/zinc/28/64/59/520286459.db2.gz CXSFOUHPWPHVEL-NSHDSACASA-N 0 3 298.818 2.412 10 0 CEAEHN CCNc1cccc(C(=O)N[C@@H](C)CN2CCCCC2)n1 ZINC000051072443 520335066 /nfs/dbraw/zinc/33/50/66/520335066.db2.gz KNVPJOAZKTWVTF-ZDUSSCGKSA-N 0 3 290.411 2.118 10 0 CEAEHN CCCOc1cccc(C[C@@H](CN)C(=O)NC(C)C)c1 ZINC000052920855 520456971 /nfs/dbraw/zinc/45/69/71/520456971.db2.gz RZRXBKSNUSZSGH-AWEZNQCLSA-N 0 3 278.396 2.117 10 0 CEAEHN CCCOc1cccc([C@H](N[C@H](C)CC)C(N)=O)c1 ZINC000052921489 520468988 /nfs/dbraw/zinc/46/89/88/520468988.db2.gz KVFJVCHQBLBFTH-RISCZKNCSA-N 0 3 264.369 2.390 10 0 CEAEHN CCCC[NH+](CCCC)CC[C@@H](NCC)C(=O)[O-] ZINC000062444455 520493658 /nfs/dbraw/zinc/49/36/58/520493658.db2.gz AFSJKKBJPMSJGD-CYBMUJFWSA-N 0 3 258.406 2.341 10 0 CEAEHN CC1(C)CN(c2nc3c(s2)[C@@H](N)CCC3)CCO1 ZINC000054895960 520494225 /nfs/dbraw/zinc/49/42/25/520494225.db2.gz NLNUKCNWOHKVCY-VIFPVBQESA-N 0 3 267.398 2.094 10 0 CEAEHN CCCCN(CCO)c1ccccc1CNCCOC ZINC000062737237 520528121 /nfs/dbraw/zinc/52/81/21/520528121.db2.gz CNWSNYUHXBOBTO-UHFFFAOYSA-N 0 3 280.412 2.021 10 0 CEAEHN CCCCN(C[C@](NC)(C(=O)OCC)C1CC1)C1CC1 ZINC000069131819 520540962 /nfs/dbraw/zinc/54/09/62/520540962.db2.gz FFXRQIBJTYOZLD-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCCN(C[C@@](NCC)(C(=O)OC)C1CC1)C1CC1 ZINC000069131838 520541096 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/nfs/dbraw/zinc/12/20/12/521122012.db2.gz WBHOZLYUJJXKGL-QWHCGFSZSA-N 0 3 255.383 2.366 10 0 CEAEHN CCC[C@H](O)[C@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055069601 521191616 /nfs/dbraw/zinc/19/16/16/521191616.db2.gz GYQGKPKBUFRFNE-KKUMJFAQSA-N 0 3 256.434 2.342 10 0 CEAEHN CCN(Cc1cc(CNCC(C)C)no1)C1CC1 ZINC000052451995 521291019 /nfs/dbraw/zinc/29/10/19/521291019.db2.gz DOJJPBLWEGFVIE-UHFFFAOYSA-N 0 3 251.374 2.405 10 0 CEAEHN CCC(C)(C)N(C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000069442572 521292660 /nfs/dbraw/zinc/29/26/60/521292660.db2.gz GZTNVNAJWWLPNZ-CQSZACIVSA-N 0 3 262.397 2.451 10 0 CEAEHN CCC(C)(C)N(C)c1nc2sccn2c1CN ZINC000069441888 521311319 /nfs/dbraw/zinc/31/13/19/521311319.db2.gz QCNFSRMWTMRMQE-UHFFFAOYSA-N 0 3 252.387 2.479 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)Oc1ccc2c(c1)OC[C@H]2N ZINC000062803858 521341469 /nfs/dbraw/zinc/34/14/69/521341469.db2.gz HCLIVKIOZHKUGR-GXFFZTMASA-N 0 3 292.379 2.151 10 0 CEAEHN CCCc1cc(N[C@H](CN(C)C)C(C)C)ncn1 ZINC000049218353 521384497 /nfs/dbraw/zinc/38/44/97/521384497.db2.gz ZWZBCNMQMFNWOO-CYBMUJFWSA-N 0 3 250.390 2.427 10 0 CEAEHN CCOc1cccc([C@@H]2[C@@H](N)CCC(=O)N2C(C)C)c1 ZINC000062211535 521417292 /nfs/dbraw/zinc/41/72/92/521417292.db2.gz YGWDSLKJMMBKDT-GOEBONIOSA-N 0 3 276.380 2.485 10 0 CEAEHN CCCc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1CN ZINC000054995442 521534995 /nfs/dbraw/zinc/53/49/95/521534995.db2.gz PLFDIXGNYJVCFR-NXEZZACHSA-N 0 3 269.414 2.168 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCc3sccc3C2)C1 ZINC000052592948 521644630 /nfs/dbraw/zinc/64/46/30/521644630.db2.gz SIIDZHMJMLTJAD-ZDUSSCGKSA-N 0 3 293.436 2.300 10 0 CEAEHN CCCN(CCN(C)C)Cc1nc(N)ccc1Cl ZINC000061638594 521657968 /nfs/dbraw/zinc/65/79/68/521657968.db2.gz NIUAOEIKVGUIMX-UHFFFAOYSA-N 0 3 270.808 2.091 10 0 CEAEHN CCCN(CCN(C)C)Cc1ccnc(NCC)c1 ZINC000052728015 521657792 /nfs/dbraw/zinc/65/77/92/521657792.db2.gz CVRLJNOZOQONRS-UHFFFAOYSA-N 0 3 264.417 2.287 10 0 CEAEHN CCN1CCC[C@H]1CNC(=O)c1cccc2c1NCCC2 ZINC000050957479 521657814 /nfs/dbraw/zinc/65/78/14/521657814.db2.gz YVHNGYQPQPBZFU-AWEZNQCLSA-N 0 3 287.407 2.259 10 0 CEAEHN CCN1CCN(Cc2occc2CNC(C)(C)C)CC1 ZINC000052422308 521690080 /nfs/dbraw/zinc/69/00/80/521690080.db2.gz FEINOCISGNBIJN-UHFFFAOYSA-N 0 3 279.428 2.305 10 0 CEAEHN COc1c(C)cnc(Cn2ccnc2CNC(C)C)c1C ZINC000051005568 521816630 /nfs/dbraw/zinc/81/66/30/521816630.db2.gz UMMBTEVRIIWCHJ-UHFFFAOYSA-N 0 3 288.395 2.450 10 0 CEAEHN COC(=O)c1ccc(Cn2ccnc2CNC(C)C)cc1 ZINC000051005577 522061341 /nfs/dbraw/zinc/06/13/41/522061341.db2.gz UNRCGBSIHWNLDR-UHFFFAOYSA-N 0 3 287.363 2.216 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2cc(F)ccc2N)CC1 ZINC000055063398 522125714 /nfs/dbraw/zinc/12/57/14/522125714.db2.gz LOVQTZKFKRBQFJ-GFCCVEGCSA-N 0 3 265.376 2.324 10 0 CEAEHN CC[C@@H](C)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000055084639 522133651 /nfs/dbraw/zinc/13/36/51/522133651.db2.gz LSQYNYMXHBPYBX-SNVBAGLBSA-N 0 3 254.765 2.051 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(Cl)c(CNC)n2)CC1 ZINC000055073612 522135511 /nfs/dbraw/zinc/13/55/11/522135511.db2.gz CXMOJFKPDMNAJA-GFCCVEGCSA-N 0 3 296.846 2.375 10 0 CEAEHN CC[C@@H](C)N1CCN(c2cnc(C(C)C)nc2CO)CC1 ZINC000055069051 522137643 /nfs/dbraw/zinc/13/76/43/522137643.db2.gz PJSNBOPLEVZVAZ-CYBMUJFWSA-N 0 3 292.427 2.013 10 0 CEAEHN CC[C@@H](C)NC(=O)COc1cc(F)ccc1[C@H](C)NC ZINC000062746600 522169485 /nfs/dbraw/zinc/16/94/85/522169485.db2.gz FUMCZBXSXZKOFM-MNOVXSKESA-N 0 3 282.359 2.400 10 0 CEAEHN CN(C)c1ccc([C@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000054682928 522250359 /nfs/dbraw/zinc/25/03/59/522250359.db2.gz ANBLNQIKZPXWPE-HOTGVXAUSA-N 0 3 256.349 2.486 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OC[C@H](O)C(F)(F)F ZINC000068877970 522333637 /nfs/dbraw/zinc/33/36/37/522333637.db2.gz FISPPVBKMPFHDI-CPCISQLKSA-N 0 3 281.249 2.408 10 0 CEAEHN CN[C@@H](CN1C(=O)[C@@H]2C[C@@H]2C1=O)c1ccc(C(C)C)cc1 ZINC000068689303 522353941 /nfs/dbraw/zinc/35/39/41/522353941.db2.gz MHCPATUPRJQZLR-ZNMIVQPWSA-N 0 3 286.375 2.075 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCC(=O)N2)[C@H]1CCCCO1 ZINC000050961524 522370122 /nfs/dbraw/zinc/37/01/22/522370122.db2.gz VRWQWOAZMHIHCM-ZBFHGGJFSA-N 0 3 274.364 2.401 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)OCCO2)[C@H]1CCCCO1 ZINC000050961469 522371706 /nfs/dbraw/zinc/37/17/06/522371706.db2.gz RDQNCAYSNCJDCP-HIFRSBDPSA-N 0 3 263.337 2.287 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCC(=O)NCC(C)C ZINC000062746554 522446378 /nfs/dbraw/zinc/44/63/78/522446378.db2.gz WDHATCAGYGJUIQ-LLVKDONJSA-N 0 3 282.359 2.257 10 0 CEAEHN CN[C@H](C)c1cnc(Cc2nc(C)cs2)nc1C ZINC000055269971 522454681 /nfs/dbraw/zinc/45/46/81/522454681.db2.gz CYYALLZDSOOLML-SECBINFHSA-N 0 3 262.382 2.421 10 0 CEAEHN CN[C@H](Cn1ncccc1=O)c1cccc2ccccc21 ZINC000061402607 522476664 /nfs/dbraw/zinc/47/66/64/522476664.db2.gz OHDVOMGKYZENJB-MRXNPFEDSA-N 0 3 279.343 2.357 10 0 CEAEHN CN[C@H]1COc2cc(O[C@H]3CCCC[C@@H]3O)ccc21 ZINC000062804292 522507170 /nfs/dbraw/zinc/50/71/70/522507170.db2.gz QLDCCDQGOIJWLY-IHRRRGAJSA-N 0 3 263.337 2.022 10 0 CEAEHN CN[C@H]1COc2cc(OCc3noc(C(C)C)n3)ccc21 ZINC000062804021 522507317 /nfs/dbraw/zinc/50/73/17/522507317.db2.gz CWBAVQQXEOCBLV-LBPRGKRZSA-N 0 3 289.335 2.425 10 0 CEAEHN CN[C@H]1COc2cc(OC[C@@H]3CCCCO3)ccc21 ZINC000062804014 522508370 /nfs/dbraw/zinc/50/83/70/522508370.db2.gz QMVWFRGKMAIGNX-JSGCOSHPSA-N 0 3 263.337 2.287 10 0 CEAEHN CN[C@](C)(C[C@@H](C)Oc1cc(C)cc(C)c1C)C(N)=O ZINC000068657201 522521061 /nfs/dbraw/zinc/52/10/61/522521061.db2.gz HRZOCIOHBMYIRL-MLGOLLRUSA-N 0 3 278.396 2.233 10 0 CEAEHN CN[C@](COc1cc(C(C)C)ccc1C)(C(N)=O)C1CC1 ZINC000069194070 522530723 /nfs/dbraw/zinc/53/07/23/522530723.db2.gz ATZJPUBXYJIEJV-KRWDZBQOSA-N 0 3 290.407 2.351 10 0 CEAEHN CNc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000050791209 522591517 /nfs/dbraw/zinc/59/15/17/522591517.db2.gz IQCWMGOZKZGHOS-ZDUSSCGKSA-N 0 3 275.396 2.333 10 0 CEAEHN COC1CCN(Cc2ccoc2CNC(C)C)CC1 ZINC000052455244 522708013 /nfs/dbraw/zinc/70/80/13/522708013.db2.gz QXHPGZIJKUDQBN-UHFFFAOYSA-N 0 3 266.385 2.388 10 0 CEAEHN COC1CCN(c2nc(C)c([C@@H](C)N)s2)CC1 ZINC000054895410 522709553 /nfs/dbraw/zinc/70/95/53/522709553.db2.gz OBLSNSDBILNMGJ-MRVPVSSYSA-N 0 3 255.387 2.086 10 0 CEAEHN COC1CCN(c2c(CNCC(C)C)c(C)nn2C)CC1 ZINC000062735581 522710416 /nfs/dbraw/zinc/71/04/16/522710416.db2.gz UZCZKSCASXSMJE-UHFFFAOYSA-N 0 3 294.443 2.089 10 0 CEAEHN COCC1CCN(Cc2cc(F)ccc2C(N)=S)CC1 ZINC000069403323 522936560 /nfs/dbraw/zinc/93/65/60/522936560.db2.gz LMWJJHZLDQKVCH-UHFFFAOYSA-N 0 3 296.411 2.318 10 0 CEAEHN CN(C[C@@H]1CCCO1)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710608 523055487 /nfs/dbraw/zinc/05/54/87/523055487.db2.gz AFNWTHWJLVUXQS-GWCFXTLKSA-N 0 3 288.313 2.215 10 0 CEAEHN CC[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(CN)c2)C1 ZINC000068602175 523142013 /nfs/dbraw/zinc/14/20/13/523142013.db2.gz GJJHVYPHPCSICF-JSGCOSHPSA-N 0 3 296.436 2.392 10 0 CEAEHN CC[C@H]1COCCN1c1c(CNCC(C)C)c(C)nn1C ZINC000062736310 523338401 /nfs/dbraw/zinc/33/84/01/523338401.db2.gz OTLWUGCGZMHHQC-AWEZNQCLSA-N 0 3 294.443 2.089 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1ccc(F)c(C)c1 ZINC000050546117 523501413 /nfs/dbraw/zinc/50/14/13/523501413.db2.gz RVAJWVWVFSSSJI-HIFRSBDPSA-N 0 3 266.360 2.245 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1Cc1cc(CNC)oc1C ZINC000052571207 523517456 /nfs/dbraw/zinc/51/74/56/523517456.db2.gz IQQGAXOVLCMUJI-BXUZGUMPSA-N 0 3 266.385 2.307 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1c1ncc([C@@H](C)N)s1 ZINC000054898179 523520829 /nfs/dbraw/zinc/52/08/29/523520829.db2.gz SDGYYIGGQXVDEV-OPRDCNLKSA-N 0 3 255.387 2.167 10 0 CEAEHN CN(Cc1nccn1C)[C@H](CN)c1cc2ccccc2o1 ZINC000068811998 523594661 /nfs/dbraw/zinc/59/46/61/523594661.db2.gz FYEUWVHDPLOCCM-CYBMUJFWSA-N 0 3 284.363 2.298 10 0 CEAEHN COCCN(C)CCNc1c(F)c(F)c(F)c(F)c1F ZINC000061379701 523613852 /nfs/dbraw/zinc/61/38/52/523613852.db2.gz UQWUFTOMEBHVNJ-UHFFFAOYSA-N 0 3 298.255 2.372 10 0 CEAEHN CCc1c(C)nn([C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1C ZINC000068649186 523716161 /nfs/dbraw/zinc/71/61/61/523716161.db2.gz GCQDTQMYXRISHM-MGPLVRAMSA-N 0 3 292.427 2.009 10 0 CEAEHN COc1ccc(C)cc1CN(C)[C@H](C)C(N)=S ZINC000050704111 523807751 /nfs/dbraw/zinc/80/77/51/523807751.db2.gz CGJZBIIZJNZLCO-SNVBAGLBSA-N 0 3 252.383 2.110 10 0 CEAEHN CN(C(=O)CN[C@@H]1CCCc2sccc21)C1CC1 ZINC000061362056 523826294 /nfs/dbraw/zinc/82/62/94/523826294.db2.gz JFRZRDHMAMVBCN-GFCCVEGCSA-N 0 3 264.394 2.336 10 0 CEAEHN COc1ccc(C)cc1[C@]([O-])([C@H](C)[NH3+])C(F)(F)F ZINC000062784628 523859691 /nfs/dbraw/zinc/85/96/91/523859691.db2.gz TWZZUEYCMASYCK-GZMMTYOYSA-N 0 3 263.259 2.101 10 0 CEAEHN CN1CCN(C[C@@H](N)c2cccc(C(F)(F)F)c2)C1=O ZINC000052885726 523904960 /nfs/dbraw/zinc/90/49/60/523904960.db2.gz LBSHOWSPUXLECT-LLVKDONJSA-N 0 3 287.285 2.073 10 0 CEAEHN CC[C@H](C)N(C)c1nc2ccccn2c1CNCCOC ZINC000062735396 523925048 /nfs/dbraw/zinc/92/50/48/523925048.db2.gz FZLGLUQKOOQCNT-ZDUSSCGKSA-N 0 3 290.411 2.305 10 0 CEAEHN COCCNC[C@@](C)(O)c1ccc(C(F)(F)F)cc1 ZINC000055033660 523942810 /nfs/dbraw/zinc/94/28/10/523942810.db2.gz UGTAKLZXAKWOCE-GFCCVEGCSA-N 0 3 277.286 2.149 10 0 CEAEHN COCCNC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000055030496 523943470 /nfs/dbraw/zinc/94/34/70/523943470.db2.gz KVRLRPIYHNRDRJ-NSHDSACASA-N 0 3 264.152 2.263 10 0 CEAEHN COCCNC[C@](C)(O)c1ccc(Cl)c(Cl)c1 ZINC000055033624 523944394 /nfs/dbraw/zinc/94/43/94/523944394.db2.gz POSBGVLGYXLCSZ-LBPRGKRZSA-N 0 3 278.179 2.437 10 0 CEAEHN CN(C(=O)c1cccc2c1CCCN2)[C@H]1CCCN(C)C1 ZINC000061413078 523946198 /nfs/dbraw/zinc/94/61/98/523946198.db2.gz DBFRZLBBUUDCGQ-ZDUSSCGKSA-N 0 3 287.407 2.211 10 0 CEAEHN COCCNCc1cc(Cl)ccc1OCCN(C)C ZINC000062730997 523948379 /nfs/dbraw/zinc/94/83/79/523948379.db2.gz MBPGZWCDVPUAII-UHFFFAOYSA-N 0 3 286.803 2.016 10 0 CEAEHN COCCNCc1cc(OC)ccc1OCC1CC1 ZINC000062727712 523950291 /nfs/dbraw/zinc/95/02/91/523950291.db2.gz GSALQZMBIFVLMA-UHFFFAOYSA-N 0 3 265.353 2.220 10 0 CEAEHN COCCNCc1cc(F)ccc1N1CCCC1 ZINC000062734070 523950363 /nfs/dbraw/zinc/95/03/63/523950363.db2.gz MIKJABGODZSMRX-UHFFFAOYSA-N 0 3 252.333 2.162 10 0 CEAEHN CCc1ccc(C[C@@H](CN)C(=O)NC(C)(C)C)cc1 ZINC000050304484 523951005 /nfs/dbraw/zinc/95/10/05/523951005.db2.gz BORYGQYBZWWULW-AWEZNQCLSA-N 0 3 262.397 2.281 10 0 CEAEHN COCCNCc1ccc(OC)cc1OCC(F)F ZINC000062733257 523951247 /nfs/dbraw/zinc/95/12/47/523951247.db2.gz JEVCWKKZRPQFON-UHFFFAOYSA-N 0 3 275.295 2.075 10 0 CEAEHN COCCNCc1ccc(-n2ccc(C)n2)c(C)c1 ZINC000062738933 523951957 /nfs/dbraw/zinc/95/19/57/523951957.db2.gz DKZYYKNXKHBMNF-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN COCCNCc1ccccc1-n1nc(C)cc1C ZINC000062738597 523954107 /nfs/dbraw/zinc/95/41/07/523954107.db2.gz IKUTVXFGBWPQGK-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2nc(N)ccc2Cl)CC1 ZINC000061639144 523956311 /nfs/dbraw/zinc/95/63/11/523956311.db2.gz BTJYAIIEPWBJEG-NSHDSACASA-N 0 3 282.819 2.233 10 0 CEAEHN COCCNCc1cnc(Cc2cc(F)cc(F)c2)nc1 ZINC000054856863 523956520 /nfs/dbraw/zinc/95/65/20/523956520.db2.gz OPDNEFVGXFDCLW-UHFFFAOYSA-N 0 3 293.317 2.082 10 0 CEAEHN COCCN[C@](C)(CO)c1ccc(CC(C)C)cc1 ZINC000053292628 523961934 /nfs/dbraw/zinc/96/19/34/523961934.db2.gz BNRMHLHRFHWMBC-MRXNPFEDSA-N 0 3 265.397 2.329 10 0 CEAEHN CO[C@H]1CCC[C@H](OCc2ccnc(CN)c2)C1 ZINC000070323720 523983804 /nfs/dbraw/zinc/98/38/04/523983804.db2.gz GYIMORZZGJEUTH-KBPBESRZSA-N 0 3 250.342 2.015 10 0 CEAEHN COC(=O)[C@](CN1CCC(C)(C)CC1)(NC(C)C)C1CC1 ZINC000069232050 524005146 /nfs/dbraw/zinc/00/51/46/524005146.db2.gz UIPBTUMCJVGPLW-QGZVFWFLSA-N 0 3 296.455 2.428 10 0 CEAEHN CCc1ccc([C@@H](C)N[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135936 524027714 /nfs/dbraw/zinc/02/77/14/524027714.db2.gz MUSYGNIFHNQGAN-IUODEOHRSA-N 0 3 281.421 2.477 10 0 CEAEHN COCCOCc1csc(CNCC(C)C)n1 ZINC000052628117 524028267 /nfs/dbraw/zinc/02/82/67/524028267.db2.gz CEEAOHRVMJHPON-UHFFFAOYSA-N 0 3 258.387 2.052 10 0 CEAEHN CNC(=O)CCCOc1ccc(C)cc1[C@H](C)NC ZINC000068816477 524065241 /nfs/dbraw/zinc/06/52/41/524065241.db2.gz JKXSDJHZZIUPOB-LBPRGKRZSA-N 0 3 264.369 2.180 10 0 CEAEHN Cc1cc(C)c(C(=O)[O-])c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000049560488 524244929 /nfs/dbraw/zinc/24/49/29/524244929.db2.gz OTUCTODTWTYHLG-JTQLQIEISA-N 0 3 265.357 2.149 10 0 CEAEHN C[C@H](CN1CCCCC1)N[C@H](C)C(=O)N1CCCCCC1 ZINC000049501684 524334343 /nfs/dbraw/zinc/33/43/43/524334343.db2.gz MBPATAJYGMKRFJ-HZPDHXFCSA-N 0 3 295.471 2.242 10 0 CEAEHN C[C@@H]1CCC[C@H](C(=O)NCc2ccc(F)cc2F)N1 ZINC000051017939 524348335 /nfs/dbraw/zinc/34/83/35/524348335.db2.gz JKBCCNRKDUMVBQ-NOZJJQNGSA-N 0 3 268.307 2.112 10 0 CEAEHN Cc1cc(C)cc(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000068656134 524454933 /nfs/dbraw/zinc/45/49/33/524454933.db2.gz BPVYTFSKPWEWNY-CXAGYDPISA-N 0 3 290.407 2.457 10 0 CEAEHN Cc1cc(C)cc(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000068656132 524455962 /nfs/dbraw/zinc/45/59/62/524455962.db2.gz BPVYTFSKPWEWNY-SUMWQHHRSA-N 0 3 290.407 2.457 10 0 CEAEHN C[C@@H](CN1CCCCC1)Nc1nccn(C(C)(C)C)c1=O ZINC000061765131 524608737 /nfs/dbraw/zinc/60/87/37/524608737.db2.gz IDQGBWHHEYUXLX-ZDUSSCGKSA-N 0 3 292.427 2.285 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cccc(Br)c1 ZINC000069133437 524699221 /nfs/dbraw/zinc/69/92/21/524699221.db2.gz VEXQDCFNWQHLKR-UWVGGRQHSA-N 0 3 297.196 2.272 10 0 CEAEHN C[C@@H]([NH3+])[C@]([O-])(c1c(F)cccc1F)C(F)(F)F ZINC000070210065 525024525 /nfs/dbraw/zinc/02/45/25/525024525.db2.gz NFFSQHHSPGFAMN-ANLVUFKYSA-N 0 3 255.186 2.062 10 0 CEAEHN COc1ncccc1C(=O)Nc1cc(CN)ccc1C ZINC000061442431 525041945 /nfs/dbraw/zinc/04/19/45/525041945.db2.gz FMLKHHUVEGWKJV-UHFFFAOYSA-N 0 3 271.320 2.110 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccccc1OC(F)F ZINC000069132569 525101668 /nfs/dbraw/zinc/10/16/68/525101668.db2.gz UHZCQLLOMBDWFX-AOOOYVTPSA-N 0 3 284.306 2.110 10 0 CEAEHN CS(=O)(=O)CCC[C@@H](N)c1ccc(Cl)cc1F ZINC000063017451 525118423 /nfs/dbraw/zinc/11/84/23/525118423.db2.gz UWEGMRFBWUQBMC-LLVKDONJSA-N 0 3 279.764 2.304 10 0 CEAEHN C[C@H]1c2ccsc2CCN1CC1(CO)CCOCC1 ZINC000052199539 525131655 /nfs/dbraw/zinc/13/16/55/525131655.db2.gz VECCCJGHOFPHKV-LBPRGKRZSA-N 0 3 281.421 2.456 10 0 CEAEHN C[C@](CCN1CCCC(C)(C)C1)([NH2+]C1CC1)C(=O)[O-] ZINC000069517131 525138687 /nfs/dbraw/zinc/13/86/87/525138687.db2.gz PYYTZYPQEDCXJX-OAHLLOKOSA-N 0 3 268.401 2.094 10 0 CEAEHN C[C@](CC[N@@H+]1CCCC(C)(C)C1)(NC1CC1)C(=O)[O-] ZINC000069517131 525138695 /nfs/dbraw/zinc/13/86/95/525138695.db2.gz PYYTZYPQEDCXJX-OAHLLOKOSA-N 0 3 268.401 2.094 10 0 CEAEHN C[C@](CC[N@H+]1CCCC(C)(C)C1)(NC1CC1)C(=O)[O-] ZINC000069517131 525138705 /nfs/dbraw/zinc/13/87/05/525138705.db2.gz PYYTZYPQEDCXJX-OAHLLOKOSA-N 0 3 268.401 2.094 10 0 CEAEHN CS(=O)(=O)c1ccc(N2CCCCC2=N)cc1 ZINC000049584014 525252761 /nfs/dbraw/zinc/25/27/61/525252761.db2.gz FUDDSUHLAFRMOS-UHFFFAOYSA-N 0 3 252.339 2.058 10 0 CEAEHN Cc1cc(NC[C@@H]2CCCN(C)C2)nc(Cl)n1 ZINC000052814873 525273614 /nfs/dbraw/zinc/27/36/14/525273614.db2.gz NKGGWEYIDPEBJI-JTQLQIEISA-N 0 3 254.765 2.192 10 0 CEAEHN CSC[C@@H](C)CNCc1cc(C(N)=O)ccc1F ZINC000069447440 525623734 /nfs/dbraw/zinc/62/37/34/525623734.db2.gz OBOPVZHZPSQUER-VIFPVBQESA-N 0 3 270.373 2.013 10 0 CEAEHN C[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O ZINC000056194659 525657459 /nfs/dbraw/zinc/65/74/59/525657459.db2.gz KLBPIOAAHGOGMO-GHMZBOCLSA-N 0 3 291.395 2.218 10 0 CEAEHN Cc1c(CNC2CC2)cnn1[C@H]1CCCCC[C@@H]1O ZINC000054600508 525722411 /nfs/dbraw/zinc/72/24/11/525722411.db2.gz KARPVDIJKPVQDU-GJZGRUSLSA-N 0 3 263.385 2.310 10 0 CEAEHN Cc1c(Cl)cccc1[N-]S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049640671 525779618 /nfs/dbraw/zinc/77/96/18/525779618.db2.gz QGWMCPNFNUCVAZ-SNVBAGLBSA-N 0 3 288.800 2.142 10 0 CEAEHN Cc1c(F)cccc1NC(=O)c1ccnc(NN)c1 ZINC000051094619 525812853 /nfs/dbraw/zinc/81/28/53/525812853.db2.gz GFYFNXCAOLRGOE-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN Cc1c(F)cccc1NC(=O)c1cc[nH]c(=NN)c1 ZINC000051094619 525812859 /nfs/dbraw/zinc/81/28/59/525812859.db2.gz GFYFNXCAOLRGOE-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN Cc1ccc(C(=O)CN2CCC[C@H]2CN(C)C)s1 ZINC000061645601 526047389 /nfs/dbraw/zinc/04/73/89/526047389.db2.gz DKROUNVWCUEIDU-LBPRGKRZSA-N 0 3 266.410 2.265 10 0 CEAEHN COc1cccc(N(C)Cc2cccnc2C(=N)N)c1 ZINC000061658339 526131249 /nfs/dbraw/zinc/13/12/49/526131249.db2.gz BUOLFBPXWPBSSP-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN C[C@H]1CCCC[C@H]1NC(=O)[C@@H](CN)c1ccccc1 ZINC000061610860 526262080 /nfs/dbraw/zinc/26/20/80/526262080.db2.gz RZKSJSFWWIMEJZ-AEGPPILISA-N 0 3 260.381 2.424 10 0 CEAEHN Cc1nnc(OCCc2cccs2)c(CN)c1C ZINC000049584487 526376401 /nfs/dbraw/zinc/37/64/01/526376401.db2.gz POTSSWMKVDZOMA-UHFFFAOYSA-N 0 3 263.366 2.235 10 0 CEAEHN c1cc(CNC2CC2)nc(N2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000051485563 526426008 /nfs/dbraw/zinc/42/60/08/526426008.db2.gz QYZPENXPXTYHDV-LSDHHAIUSA-N 0 3 273.380 2.091 10 0 CEAEHN O=C(CN1CCC[C@@H]1CCCO)N1CCCCCCC1 ZINC000052761949 526753082 /nfs/dbraw/zinc/75/30/82/526753082.db2.gz JGPYUGDYUPFWPK-OAHLLOKOSA-N 0 3 282.428 2.016 10 0 CEAEHN Cc1ncc(CN[C@H](C)c2ccc3c(c2)OCO3)[nH]1 ZINC000054821824 526893303 /nfs/dbraw/zinc/89/33/03/526893303.db2.gz YUPLGYKZSNHICL-SECBINFHSA-N 0 3 259.309 2.298 10 0 CEAEHN Cc1nc(Cc2ncc(CNC(C)C)cn2)cs1 ZINC000055296848 526928787 /nfs/dbraw/zinc/92/87/87/526928787.db2.gz JDUMGMBVUTUHTC-UHFFFAOYSA-N 0 3 262.382 2.330 10 0 CEAEHN Cc1nc(N(C)C2CCOCC2)sc1[C@@H](C)N ZINC000054895968 526950135 /nfs/dbraw/zinc/95/01/35/526950135.db2.gz TZNGXBMCSHZXOJ-MRVPVSSYSA-N 0 3 255.387 2.086 10 0 CEAEHN NC[C@@H](Oc1cccc(F)c1F)c1cccnc1 ZINC000062612767 527206099 /nfs/dbraw/zinc/20/60/99/527206099.db2.gz IOFAJNANAOBZDX-GFCCVEGCSA-N 0 3 250.248 2.439 10 0 CEAEHN Cc1nc2sccn2c1CN[C@@H]1CCCC[C@@H]1O ZINC000051998749 527212430 /nfs/dbraw/zinc/21/24/30/527212430.db2.gz BFOJHWRJTWOWIU-PWSUYJOCSA-N 0 3 265.382 2.097 10 0 CEAEHN NC[C@H](c1cc2ccccc2o1)N1CCN(C2CC2)CC1 ZINC000068811516 527228691 /nfs/dbraw/zinc/22/86/91/527228691.db2.gz MCZKJBFNIGPPCV-OAHLLOKOSA-N 0 3 285.391 2.213 10 0 CEAEHN NCc1c(Cl)cccc1Sc1nnnn1C1CC1 ZINC000052905441 527243903 /nfs/dbraw/zinc/24/39/03/527243903.db2.gz JSAYGIVXWKBGIP-UHFFFAOYSA-N 0 3 281.772 2.271 10 0 CEAEHN NCc1ccc(NC(=O)c2cccc3cccnc32)nc1 ZINC000061410580 527256657 /nfs/dbraw/zinc/25/66/57/527256657.db2.gz QCFHTZUBRAPHHK-UHFFFAOYSA-N 0 3 278.315 2.341 10 0 CEAEHN NCc1ccccc1CNC(=O)Cc1ccc(F)cc1 ZINC000061840981 527261162 /nfs/dbraw/zinc/26/11/62/527261162.db2.gz YSCTWOKTJAWSEE-UHFFFAOYSA-N 0 3 272.323 2.143 10 0 CEAEHN NCc1ccccc1NC(=O)COc1cc(F)cc(F)c1 ZINC000054932536 527261205 /nfs/dbraw/zinc/26/12/05/527261205.db2.gz IKJVYCHKBLGLBB-UHFFFAOYSA-N 0 3 292.285 2.441 10 0 CEAEHN NCc1ncccc1COc1ccc(F)c(F)c1 ZINC000061657617 527266378 /nfs/dbraw/zinc/26/63/78/527266378.db2.gz ZXDNDGSUMTXJNE-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN NCc1ncccc1COc1cccc(F)c1F ZINC000062613104 527267589 /nfs/dbraw/zinc/26/75/89/527267589.db2.gz NOSSYLCTHAZWLL-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN NCc1sc2cccc(F)c2c1Cn1cncn1 ZINC000052575112 527268212 /nfs/dbraw/zinc/26/82/12/527268212.db2.gz NTDVJUVOXGQKTP-UHFFFAOYSA-N 0 3 262.313 2.139 10 0 CEAEHN N[C@H](c1ccccc1)[C@H](O)c1ccc2c(c1)CCO2 ZINC000054681992 527392035 /nfs/dbraw/zinc/39/20/35/527392035.db2.gz MVPKUYUFMCYWBS-HZPDHXFCSA-N 0 3 255.317 2.355 10 0 CEAEHN Cc1nccn1CCOc1cc(F)ccc1[C@H](C)N ZINC000062745141 527433026 /nfs/dbraw/zinc/43/30/26/527433026.db2.gz MAICJIWALKFMPU-JTQLQIEISA-N 0 3 263.316 2.429 10 0 CEAEHN Cn1nccc1[C@@H](N)Cc1ccc(Br)cc1 ZINC000069020410 527622771 /nfs/dbraw/zinc/62/27/71/527622771.db2.gz FQQIPNAGVPNKKE-NSHDSACASA-N 0 3 280.169 2.425 10 0 CEAEHN Cc1nn(C)c(N(C)[C@H]2CCSC2)c1CNCC(C)C ZINC000062735526 527670289 /nfs/dbraw/zinc/67/02/89/527670289.db2.gz JXQRTGWGEHOPSR-ZDUSSCGKSA-N 0 3 296.484 2.416 10 0 CEAEHN CCc1cccc(CC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000178539323 529160651 /nfs/dbraw/zinc/16/06/51/529160651.db2.gz XBLADJCBCFCQQO-MRXNPFEDSA-N 0 3 272.392 2.098 10 0 CEAEHN CC[C@H]1CN(CCc2scnc2C)CCN1CCOC ZINC000172535585 529294960 /nfs/dbraw/zinc/29/49/60/529294960.db2.gz JUCPXTIIHUYZTL-AWEZNQCLSA-N 0 3 297.468 2.037 10 0 CEAEHN CC(C)CN1CCN(c2ccc([C@@H](C)O)c(O)c2)CC1 ZINC000093672551 535105508 /nfs/dbraw/zinc/10/55/08/535105508.db2.gz OPAIFUUXDQWDHN-CYBMUJFWSA-N 0 3 278.396 2.224 10 0 CEAEHN CC[C@@H]1CNCCN1c1ncccc1Br ZINC000082476635 535825426 /nfs/dbraw/zinc/82/54/26/535825426.db2.gz RSSKNVDTLXLSNR-SECBINFHSA-N 0 3 270.174 2.032 10 0 CEAEHN CN[C@@H](C)c1c(F)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906363 536351030 /nfs/dbraw/zinc/35/10/30/536351030.db2.gz VJVQNOZPDRMHEO-SDDRHHMPSA-N 0 3 264.344 2.474 10 0 CEAEHN CN[C@H]1CCCN(c2c(C)cccc2Cl)C1=O ZINC000090535796 536415059 /nfs/dbraw/zinc/41/50/59/536415059.db2.gz ICEYUOAQPLWWQK-NSHDSACASA-N 0 3 252.745 2.363 10 0 CEAEHN CC(C)Cc1cncc(SC[C@@H]2CNCCO2)c1 ZINC000757214584 574513005 /nfs/dbraw/zinc/51/30/05/574513005.db2.gz UALHSYMTLDWHBA-ZDUSSCGKSA-N 0 3 266.410 2.361 10 0 CEAEHN CC(C)(C)C[C@H](N)CS(=O)(=O)N1CCC(C)(C)CC1 ZINC000757150726 574510783 /nfs/dbraw/zinc/51/07/83/574510783.db2.gz IALKBXOMZLHAGY-LBPRGKRZSA-N 0 3 290.473 2.202 10 0 CEAEHN CCCN(CCC)S(=O)(=O)C[C@H](N)C1CCCCC1 ZINC000757152410 574510870 /nfs/dbraw/zinc/51/08/70/574510870.db2.gz LTRMPZJEOSWJBB-AWEZNQCLSA-N 0 3 290.473 2.346 10 0 CEAEHN CCN[S@](=O)(=N[C@H](C)CC)c1ccc(N)cc1 ZINC000675073910 574511301 /nfs/dbraw/zinc/51/13/01/574511301.db2.gz BWVMSMAMOTTWKC-QGHHPUGFSA-N 0 3 255.387 2.419 10 0 CEAEHN OCCN1CCC[C@@H](NCc2cc(Cl)ccc2F)C1 ZINC000384734022 574842132 /nfs/dbraw/zinc/84/21/32/574842132.db2.gz PSALTNZRJVJSLG-CYBMUJFWSA-N 0 3 286.778 2.025 10 0 CEAEHN CO[C@H]1C=CC2=CCN3CCc4cc5c(cc4[C@]23C1)OCO5 ZINC000053194131 571770470 /nfs/dbraw/zinc/77/04/70/571770470.db2.gz TVOFUERNMZTYRM-KSSFIOAISA-N 0 3 297.354 2.384 10 0 endogenous,in-man CEAEHN COc1cc(OC)c(CN[C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000051995846 625629399 /nfs/dbraw/zinc/62/93/99/625629399.db2.gz OZQXQHQEJMWEDV-ZIAGYGMSSA-N 0 3 295.379 2.106 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cnn(C)n1 ZINC000311093608 627365230 /nfs/dbraw/zinc/36/52/30/627365230.db2.gz RMNCYKUZFTVEKR-XBFCOCLRSA-N 0 3 250.390 2.366 10 0 CEAEHN COc1ccc(CN[C@H](C)[C@H](C)O)c(Br)c1 ZINC000309912563 628141595 /nfs/dbraw/zinc/14/15/95/628141595.db2.gz NOCKCJTXRYNXNV-BDAKNGLRSA-N 0 3 288.185 2.317 10 0 CEAEHN O=C(CCCOc1ccccc1)N[C@@H]1CN2CCC1CC2 ZINC000222573539 629183867 /nfs/dbraw/zinc/18/38/67/629183867.db2.gz NKYOKASOOFDESI-MRXNPFEDSA-N 0 3 288.391 2.056 10 0 CEAEHN CCC[C@@H](C)CN1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000263487455 631444976 /nfs/dbraw/zinc/44/49/76/631444976.db2.gz HRSWJIHHLANGHW-CYBMUJFWSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@@H](C)CN1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000263487455 631444980 /nfs/dbraw/zinc/44/49/80/631444980.db2.gz HRSWJIHHLANGHW-CYBMUJFWSA-N 0 3 270.417 2.294 10 0 CEAEHN Cc1sc([C@@H]2N[C@H](C)CC[C@@H]2C[NH3+])cc1C(=O)[O-] ZINC000757238175 631838534 /nfs/dbraw/zinc/83/85/34/631838534.db2.gz RNKSFGIKYZDPHW-JWKOBGCHSA-N 0 3 268.382 2.143 10 0 CEAEHN COCCN(C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000042256241 632933638 /nfs/dbraw/zinc/93/36/38/632933638.db2.gz QOOJGPDWVWJPCC-MRXNPFEDSA-N 0 3 259.349 2.451 10 0 CEAEHN C[C@H](N)C(=O)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC000082256025 177928641 /nfs/dbraw/zinc/92/86/41/177928641.db2.gz PGOMXXOXTXVIAT-ZETCQYMHSA-N 0 3 264.716 2.016 10 0 CEAEHN Cc1noc([C@@H](C)N2CCN(C[C@H]3CC=CCC3)CC2)n1 ZINC000121257002 365542077 /nfs/dbraw/zinc/54/20/77/365542077.db2.gz CGKWNEPXJBTQCL-HIFRSBDPSA-N 0 3 290.411 2.413 10 0 CEAEHN CC[C@H](CC(N)=S)N(C)Cc1scnc1C ZINC000082633068 178141461 /nfs/dbraw/zinc/14/14/61/178141461.db2.gz JMTGJJOLLFYHMO-SECBINFHSA-N 0 3 257.428 2.338 10 0 CEAEHN CCn1nccc1CN[C@H](CN(C)C)c1ccccc1 ZINC000125142857 187171961 /nfs/dbraw/zinc/17/19/61/187171961.db2.gz HMOPNBUGYMABMS-MRXNPFEDSA-N 0 3 272.396 2.296 10 0 CEAEHN CCC1(CN2CC[C@@H](C)[S@](=O)CC2)CCOCC1 ZINC000336581555 365673263 /nfs/dbraw/zinc/67/32/63/365673263.db2.gz DWUZNWBJTFNSEJ-FZKQIMNGSA-N 0 3 273.442 2.036 10 0 CEAEHN COc1cccc(CN(C[C@H](O)COC(C)C)C2CC2)c1 ZINC000036098403 361828148 /nfs/dbraw/zinc/82/81/48/361828148.db2.gz SDDMHJLJBPXXQT-INIZCTEOSA-N 0 3 293.407 2.446 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCCC1)c1ccc(F)c(F)c1 ZINC000037616363 361911554 /nfs/dbraw/zinc/91/15/54/361911554.db2.gz ZDZOIXKVCSGEOC-VIFPVBQESA-N 0 3 268.307 2.414 10 0 CEAEHN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCCN1 ZINC000037042536 303964804 /nfs/dbraw/zinc/96/48/04/303964804.db2.gz NWHPTOOTIGTZEK-DCAQKATOSA-N 0 3 278.318 2.366 10 0 CEAEHN CO[C@@H]1CN(C/C(C)=C/c2ccccc2)C[C@H]1c1c[nH]nn1 ZINC000668576566 539202785 /nfs/dbraw/zinc/20/27/85/539202785.db2.gz NIKNPOGRSFGFCW-IEVHZMJVSA-N 0 3 298.390 2.322 10 0 CEAEHN OC[C@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC000231041999 539227818 /nfs/dbraw/zinc/22/78/18/539227818.db2.gz OXDDSECIMSRMMV-DGCLKSJQSA-N 0 3 254.761 2.376 10 0 CEAEHN CCc1nn(C)cc1CN[C@H](CN(C)C)c1ccccc1 ZINC000092366247 539231337 /nfs/dbraw/zinc/23/13/37/539231337.db2.gz AMJWZSPEAOIMLJ-QGZVFWFLSA-N 0 3 286.423 2.375 10 0 CEAEHN C[C@H](NC(=O)[C@@H]1C[C@H](C)CCN1)c1cccs1 ZINC000126132325 187218721 /nfs/dbraw/zinc/21/87/21/187218721.db2.gz UAJGBUMYVZWCOL-VWYCJHECSA-N 0 3 252.383 2.313 10 0 CEAEHN COc1cc(CN2C[C@@H]3CCCCN3C[C@@H]2C)sn1 ZINC000399076676 539263622 /nfs/dbraw/zinc/26/36/22/539263622.db2.gz VBONQKMMJDAPAH-RYUDHWBXSA-N 0 3 281.425 2.210 10 0 CEAEHN COc1ccc(-c2ncc(CN)s2)cc1OC ZINC000040996533 362010096 /nfs/dbraw/zinc/01/00/96/362010096.db2.gz MNIPNYQCIXIMKC-UHFFFAOYSA-N 0 3 250.323 2.286 10 0 CEAEHN CN(C)C[C@H](NC(=O)CCc1ccncc1)c1ccccc1 ZINC000044958142 362157080 /nfs/dbraw/zinc/15/70/80/362157080.db2.gz SCOUGXGOFURQAH-KRWDZBQOSA-N 0 3 297.402 2.433 10 0 CEAEHN COc1cccc(CNC[C@@H](O)C(C)(C)C)c1F ZINC000324638384 539303079 /nfs/dbraw/zinc/30/30/79/539303079.db2.gz WLKKYDMFMXBUMO-GFCCVEGCSA-N 0 3 255.333 2.331 10 0 CEAEHN CC[C@H](O)CN1CCN(CCc2ccccc2Cl)CC1 ZINC000174082757 529700362 /nfs/dbraw/zinc/70/03/62/529700362.db2.gz HVZSJSJODHVSII-HNNXBMFYSA-N 0 3 296.842 2.271 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000037164974 343425926 /nfs/dbraw/zinc/42/59/26/343425926.db2.gz WWYBZWQPFFHQAC-GDBMZVCRSA-N 0 3 271.364 2.265 10 0 CEAEHN COc1cc(OC)c(OC)cc1CN[C@@H]1CCC[C@H](O)C1 ZINC000037164488 343426091 /nfs/dbraw/zinc/42/60/91/343426091.db2.gz DMWVXVNQGQQWRM-OLZOCXBDSA-N 0 3 295.379 2.106 10 0 CEAEHN C[C@H](NC(=O)NC1CCN(C)CC1)c1cccs1 ZINC000047885159 362229822 /nfs/dbraw/zinc/22/98/22/362229822.db2.gz WZJSSQVATARNIR-JTQLQIEISA-N 0 3 267.398 2.203 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCCCCC2)C1 ZINC000246415450 539321096 /nfs/dbraw/zinc/32/10/96/539321096.db2.gz MFSJIWFLXPYOSE-ZIAGYGMSSA-N 0 3 267.417 2.301 10 0 CEAEHN Cc1ccc(C)c(CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000053815905 343580969 /nfs/dbraw/zinc/58/09/69/343580969.db2.gz MBVHZJPZUUKKFK-OAHLLOKOSA-N 0 3 260.381 2.356 10 0 CEAEHN Cc1ccc(CN2CCO[C@@H](CN(C)C)C2)c(C)c1 ZINC000128133578 187354040 /nfs/dbraw/zinc/35/40/40/187354040.db2.gz RFDINGQYHPYLOF-INIZCTEOSA-N 0 3 262.397 2.066 10 0 CEAEHN COC[C@H](O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000127062093 187279825 /nfs/dbraw/zinc/27/98/25/187279825.db2.gz BNVPVMLOINQZHY-OLZOCXBDSA-N 0 3 253.342 2.122 10 0 CEAEHN CCN1CCC[C@H](NC(=O)COc2ccccc2Cl)C1 ZINC000048753508 362301859 /nfs/dbraw/zinc/30/18/59/362301859.db2.gz LWNBZYOIQZLPFJ-LBPRGKRZSA-N 0 3 296.798 2.319 10 0 CEAEHN COc1cc2c(cc1CN[C@@H]1CCC[C@H](O)C1)O[C@@H](C)C2 ZINC000109133101 344266795 /nfs/dbraw/zinc/26/67/95/344266795.db2.gz IKTDYMZVPJUUPI-GLQYFDAESA-N 0 3 291.391 2.412 10 0 CEAEHN CC1(C)CN(c2nc(Br)cs2)CCN1 ZINC000133195462 344367762 /nfs/dbraw/zinc/36/77/62/344367762.db2.gz VEKIVDXWTSGPHJ-UHFFFAOYSA-N 0 3 276.203 2.094 10 0 CEAEHN CCC[C@H](C)CN1CCN(CCOCC)[C@H](C)C1 ZINC000180086788 344505575 /nfs/dbraw/zinc/50/55/75/344505575.db2.gz BJWCWBJOZPCNSH-LSDHHAIUSA-N 0 3 256.434 2.465 10 0 CEAEHN c1cc2c3c(c1)N(C1CCCC1)CCN3CCNC2 ZINC000207709547 344529275 /nfs/dbraw/zinc/52/92/75/344529275.db2.gz LWEGPOSKHDGAKN-UHFFFAOYSA-N 0 3 257.381 2.359 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@H](NC2CC2)[C@H](F)C1 ZINC000223650748 344543200 /nfs/dbraw/zinc/54/32/00/344543200.db2.gz SVPOAIXSYHYJCJ-MNOVXSKESA-N 0 3 258.337 2.086 10 0 CEAEHN Cc1c(CN[C@H]2CCc3cc(N)ccc32)cnn1C ZINC000226310238 344549067 /nfs/dbraw/zinc/54/90/67/344549067.db2.gz SVONUQCVJFBNIN-HNNXBMFYSA-N 0 3 256.353 2.088 10 0 CEAEHN CN(C)C[C@H](N)c1cccc(Br)c1F ZINC000234250555 344584559 /nfs/dbraw/zinc/58/45/59/344584559.db2.gz ZUGIEXOWKRXZTI-VIFPVBQESA-N 0 3 261.138 2.150 10 0 CEAEHN C(=C\c1ccccc1)\CN1CC[C@@H](N2CCOCC2)C1 ZINC000255726092 344646586 /nfs/dbraw/zinc/64/65/86/344646586.db2.gz GQFVCXSLEKMQFF-DANOYGIBSA-N 0 3 272.392 2.106 10 0 CEAEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC1=NCCS1 ZINC000306889070 344718525 /nfs/dbraw/zinc/71/85/25/344718525.db2.gz WXBWTYZZQOVURU-OCCSQVGLSA-N 0 3 275.421 2.199 10 0 CEAEHN Cc1ccc(CN(C)C[C@H]2CCc3nccn3C2)nc1 ZINC000328656154 344757996 /nfs/dbraw/zinc/75/79/96/344757996.db2.gz ZBBOMHWKVATIPP-CQSZACIVSA-N 0 3 270.380 2.281 10 0 CEAEHN CCN[C@H](C[S@@](=O)CC)c1ccc2c(c1)OCCCO2 ZINC000084006780 178769839 /nfs/dbraw/zinc/76/98/39/178769839.db2.gz GVSBLACKBYXYIM-ZUOKHONESA-N 0 3 297.420 2.267 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@@H]1[S@](=O)C(C)(C)C ZINC000084008434 178770665 /nfs/dbraw/zinc/77/06/65/178770665.db2.gz CPYYDFZPPZEQGY-ZJNRKIDTSA-N 0 3 267.394 2.255 10 0 CEAEHN COc1ccc([C@@H](N)[C@@H](C)[S@](=O)CC(C)C)cc1 ZINC000084033852 178774063 /nfs/dbraw/zinc/77/40/63/178774063.db2.gz PLGVJDANZZDKTI-VZSAFFHGSA-N 0 3 269.410 2.488 10 0 CEAEHN CC(=O)NCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000584590953 344960786 /nfs/dbraw/zinc/96/07/86/344960786.db2.gz BEKUSNGONOOMAF-MSOLQXFVSA-N 0 3 298.386 2.187 10 0 CEAEHN CCOc1ccc(NC(=O)[C@@H](C)NC)cc1Cl ZINC000054074555 362508981 /nfs/dbraw/zinc/50/89/81/362508981.db2.gz FKILRDUKERJQIA-MRVPVSSYSA-N 0 3 256.733 2.285 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000054074405 362509059 /nfs/dbraw/zinc/50/90/59/362509059.db2.gz MVJQHZWROXZNHG-NWDGAFQWSA-N 0 3 264.369 2.259 10 0 CEAEHN O=C(CCN1CC[C@H](CCO)C1)c1ccc(F)cc1 ZINC000128759462 365804143 /nfs/dbraw/zinc/80/41/43/365804143.db2.gz BMQPMTWHHNHIJQ-GFCCVEGCSA-N 0 3 265.328 2.103 10 0 CEAEHN NCc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000084268007 178835444 /nfs/dbraw/zinc/83/54/44/178835444.db2.gz VCSAXDKMSXFBLN-UHFFFAOYSA-N 0 3 279.336 2.258 10 0 CEAEHN COc1cccc(S(=O)(=O)Cc2ccc(CN)cc2)c1 ZINC000084268795 178835990 /nfs/dbraw/zinc/83/59/90/178835990.db2.gz ZBJFBZXLIBQIFX-UHFFFAOYSA-N 0 3 291.372 2.128 10 0 CEAEHN C[C@H]1CN(CCCOCC(F)(F)F)C[C@H](C)O1 ZINC000053602167 232179178 /nfs/dbraw/zinc/17/91/78/232179178.db2.gz YNMYKIBDNKBPLL-UWVGGRQHSA-N 0 3 255.280 2.065 10 0 CEAEHN CC[C@H]1CCCCN1C(=O)N[C@H]1CCCN(CC)C1 ZINC000057870603 362597890 /nfs/dbraw/zinc/59/78/90/362597890.db2.gz MASQHJVNWITPEV-KBPBESRZSA-N 0 3 267.417 2.445 10 0 CEAEHN CN(CCO)CCN(C)Cc1ccccc1C(F)(F)F ZINC000623091911 349936311 /nfs/dbraw/zinc/93/63/11/349936311.db2.gz ZQBXAVPHMSVGEZ-UHFFFAOYSA-N 0 3 290.329 2.061 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccccc2OC)C1 ZINC000149296549 539489247 /nfs/dbraw/zinc/48/92/47/539489247.db2.gz BDJJHWHYZUXXEF-KGLIPLIRSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](c1cnnn1C)[C@H]1CCCc2sccc21 ZINC000097424188 185601481 /nfs/dbraw/zinc/60/14/81/185601481.db2.gz YLCYCYKEYBKPNW-GWCFXTLKSA-N 0 3 262.382 2.257 10 0 CEAEHN Cc1cccc(OC[C@@](O)(CN)c2ccccc2)c1 ZINC000085307029 179012880 /nfs/dbraw/zinc/01/28/80/179012880.db2.gz UPSICFKAWOJUMT-INIZCTEOSA-N 0 3 257.333 2.220 10 0 CEAEHN C[C@@H]1CN[C@](C)(c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085531708 179091341 /nfs/dbraw/zinc/09/13/41/179091341.db2.gz BRPUYZLVBUCNEN-PVAVHDDUSA-N 0 3 274.408 2.375 10 0 CEAEHN Cc1nccc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000085674992 179111710 /nfs/dbraw/zinc/11/17/10/179111710.db2.gz LGXYNNLBZXGCGD-MCIONIFRSA-N 0 3 261.369 2.078 10 0 CEAEHN OC[C@@H](N[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000129253810 365840178 /nfs/dbraw/zinc/84/01/78/365840178.db2.gz SOBDTEYBDIPCIA-VXGBXAGGSA-N 0 3 257.786 2.469 10 0 CEAEHN Cc1ccc(CN)c(N2CCN(C)c3ccccc32)n1 ZINC000111458843 136562093 /nfs/dbraw/zinc/56/20/93/136562093.db2.gz WMIWTUJPNNOOCT-UHFFFAOYSA-N 0 3 268.364 2.437 10 0 CEAEHN CCC[C@@H](N)C(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000236892273 370648410 /nfs/dbraw/zinc/64/84/10/370648410.db2.gz PYCAZBNVOOCRKB-XJKSGUPXSA-N 0 3 292.423 2.460 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(Cl)ncc2Cl)C1 ZINC000129312556 365846743 /nfs/dbraw/zinc/84/67/43/365846743.db2.gz JSDJYNVBUAHXRL-QMMMGPOBSA-N 0 3 288.178 2.165 10 0 CEAEHN COc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1O ZINC000128431034 187369980 /nfs/dbraw/zinc/36/99/80/187369980.db2.gz RHNONGCYRFYOQK-ZDUSSCGKSA-N 0 3 287.363 2.124 10 0 CEAEHN NCc1ccccc1NC(=O)c1ccc2c[nH]nc2c1 ZINC000085810047 179177585 /nfs/dbraw/zinc/17/75/85/179177585.db2.gz XPKDUOQEOCRNKO-UHFFFAOYSA-N 0 3 266.304 2.274 10 0 CEAEHN CN[C@H](CCO)C[S@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927478 179202055 /nfs/dbraw/zinc/20/20/55/179202055.db2.gz WQEIBJLMGDZVDY-BFUOFWGJSA-N 0 3 283.437 2.062 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NC[C@@H]1CCCC[C@@H]1O ZINC000085980073 179209208 /nfs/dbraw/zinc/20/92/08/179209208.db2.gz QKXWYGSXVAHXJD-BPNCWPANSA-N 0 3 265.401 2.239 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NC[C@H]1CCCC[C@@H]1O ZINC000085980076 179209400 /nfs/dbraw/zinc/20/94/00/179209400.db2.gz QKXWYGSXVAHXJD-GDLCADMTSA-N 0 3 265.401 2.239 10 0 CEAEHN CCCc1ccc([C@@H](NC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020578 179217802 /nfs/dbraw/zinc/21/78/02/179217802.db2.gz VIDCAWFXIZBAIH-LSDHHAIUSA-N 0 3 281.421 2.334 10 0 CEAEHN C[C@H](NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1 ZINC000085986240 179212145 /nfs/dbraw/zinc/21/21/45/179212145.db2.gz PMXBRNOPOTXSIM-YDHLFZDLSA-N 0 3 276.380 2.154 10 0 CEAEHN C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000086076481 179225668 /nfs/dbraw/zinc/22/56/68/179225668.db2.gz LUTGZTCGWDFWGE-NEBZKDRISA-N 0 3 260.381 2.107 10 0 CEAEHN Cc1cc(CN2CCN[C@@H](c3ccccc3)C2)no1 ZINC000086146064 179239001 /nfs/dbraw/zinc/23/90/01/179239001.db2.gz BGLFBBFISGOUIM-OAHLLOKOSA-N 0 3 257.337 2.130 10 0 CEAEHN C[C@H]1CN[C@](C)(c2ccccc2)CN1c1cnn(C)c1 ZINC000086218349 179249828 /nfs/dbraw/zinc/24/98/28/179249828.db2.gz UJQNATZDBLNZIW-BBRMVZONSA-N 0 3 270.380 2.134 10 0 CEAEHN CC[C@@H]1CN[C@H](c2ccccc2)CN1c1cnn(C)c1 ZINC000086218330 179250012 /nfs/dbraw/zinc/25/00/12/179250012.db2.gz YCOSJWVNWFWJJY-ZBFHGGJFSA-N 0 3 270.380 2.350 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc(OC)c(F)c2)[C@@H](CC)CN1 ZINC000086446605 179294441 /nfs/dbraw/zinc/29/44/41/179294441.db2.gz RUOQSBMSGDOGKL-STQMWFEESA-N 0 3 294.370 2.437 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cc(C)ccc2O)[C@@H](CC)CN1 ZINC000086446332 179294585 /nfs/dbraw/zinc/29/45/85/179294585.db2.gz REXIUUBYSZLCQL-STQMWFEESA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cc(Cl)cn1C ZINC000086446287 179294674 /nfs/dbraw/zinc/29/46/74/179294674.db2.gz SADMROMSQOIANU-NWDGAFQWSA-N 0 3 283.803 2.281 10 0 CEAEHN CC[C@H]1CN(C(=O)c2n[nH]c3ccccc32)[C@@H](CC)CN1 ZINC000086446318 179295154 /nfs/dbraw/zinc/29/51/54/179295154.db2.gz XWWIRKGPNZOBBR-RYUDHWBXSA-N 0 3 286.379 2.166 10 0 CEAEHN CN[C@H]1CCCc2sc(N3C[C@@H](C)O[C@@H](C)C3)nc21 ZINC000086442199 179293362 /nfs/dbraw/zinc/29/33/62/179293362.db2.gz OPVMVHCNXOPXSG-AXFHLTTASA-N 0 3 281.425 2.354 10 0 CEAEHN CCN(CCOC)[C@H](CN)c1ccc(OC)c(Cl)c1 ZINC000086594968 179310726 /nfs/dbraw/zinc/31/07/26/179310726.db2.gz RGRCYRRCRMAJCU-CYBMUJFWSA-N 0 3 286.803 2.317 10 0 CEAEHN Cc1nc(Sc2ccnc(CN)c2)nc(C)c1C ZINC000086644075 179315738 /nfs/dbraw/zinc/31/57/38/179315738.db2.gz DTPCLOOMIFRYEV-UHFFFAOYSA-N 0 3 260.366 2.407 10 0 CEAEHN O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1NCc2ccccc21 ZINC000086667411 179317066 /nfs/dbraw/zinc/31/70/66/179317066.db2.gz HBKGXYPTAYURDX-CVEARBPZSA-N 0 3 269.300 2.293 10 0 CEAEHN O[C@H](c1ccc2c(c1)CCO2)[C@@H]1NCc2ccccc21 ZINC000086668061 179317368 /nfs/dbraw/zinc/31/73/68/179317368.db2.gz COVMEGVBTMJKHH-IAGOWNOFSA-N 0 3 267.328 2.499 10 0 CEAEHN CCN(C)C(=O)CCN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000130269446 365938916 /nfs/dbraw/zinc/93/89/16/365938916.db2.gz SARAEPAMZNMBMW-CYBMUJFWSA-N 0 3 295.452 2.499 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868961 179361248 /nfs/dbraw/zinc/36/12/48/179361248.db2.gz YNUSDEMNFGKTKJ-GFCCVEGCSA-N 0 3 256.390 2.044 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@@H+](C)C(C)(C)C(=O)[O-])CC1 ZINC000086868961 179361249 /nfs/dbraw/zinc/36/12/49/179361249.db2.gz YNUSDEMNFGKTKJ-GFCCVEGCSA-N 0 3 256.390 2.044 10 0 CEAEHN CC[C@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCCN(C(C)C)CC2)C1 ZINC000086869114 179362935 /nfs/dbraw/zinc/36/29/35/179362935.db2.gz FROHWSHJGCUIFW-ZBFHGGJFSA-N 0 3 282.428 2.436 10 0 CEAEHN CC[C@]1(C(=O)[O-])CC[N@H+]([C@@H]2CCCN(C(C)C)CC2)C1 ZINC000086869114 179362936 /nfs/dbraw/zinc/36/29/36/179362936.db2.gz FROHWSHJGCUIFW-ZBFHGGJFSA-N 0 3 282.428 2.436 10 0 CEAEHN CCOC(=O)[C@]1(N[C@H](C)CC)CCCN(CC)CC1 ZINC000086850536 179358069 /nfs/dbraw/zinc/35/80/69/179358069.db2.gz YSBOUCOXYFQKBL-HIFRSBDPSA-N 0 3 270.417 2.182 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](NC)c1ccccc1F ZINC000086979551 179372964 /nfs/dbraw/zinc/37/29/64/179372964.db2.gz BCBQZEPKVLSQTF-CYBMUJFWSA-N 0 3 273.373 2.301 10 0 CEAEHN COc1ccc([C@H](CN)N2CC[C@@H](C)C2)cc1F ZINC000086983666 179373707 /nfs/dbraw/zinc/37/37/07/179373707.db2.gz LDZMWYQHHPQNTF-MFKMUULPSA-N 0 3 252.333 2.176 10 0 CEAEHN CCS(=O)(=O)CCCNCc1cc2c(s1)CCC2 ZINC000086973944 179371527 /nfs/dbraw/zinc/37/15/27/179371527.db2.gz JTBQEUUPGKBXMF-UHFFFAOYSA-N 0 3 287.450 2.151 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC2(O)CCCC2)c1C ZINC000087016914 179380583 /nfs/dbraw/zinc/38/05/83/179380583.db2.gz GGHYLXCINRQSHK-LLVKDONJSA-N 0 3 265.401 2.476 10 0 CEAEHN CCC(O)(CC)CNC[C@H](O)c1c(F)cccc1F ZINC000087028489 179381784 /nfs/dbraw/zinc/38/17/84/179381784.db2.gz QZPCCUDXSLSDPL-LBPRGKRZSA-N 0 3 273.323 2.139 10 0 CEAEHN CNCc1cc(O[C@H]2CCOC2)c2ccccc2n1 ZINC000104104094 185895000 /nfs/dbraw/zinc/89/50/00/185895000.db2.gz PIBFUKLYDCTLEX-LBPRGKRZSA-N 0 3 258.321 2.122 10 0 CEAEHN COc1ccc([C@@H]2[C@H](N)CCC(=O)N2CC(C)C)cc1F ZINC000086995201 179375863 /nfs/dbraw/zinc/37/58/63/179375863.db2.gz LKDZZIIELZSZJO-CZUORRHYSA-N 0 3 294.370 2.481 10 0 CEAEHN COc1ccc([C@@H]2[C@H](N)CCCC(=O)N2C2CC2)cc1F ZINC000086995328 179376386 /nfs/dbraw/zinc/37/63/86/179376386.db2.gz CSGKMUWLCQFFOW-CZUORRHYSA-N 0 3 292.354 2.378 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2cc(OC)cc(OC)c2)O1 ZINC000087090354 179394285 /nfs/dbraw/zinc/39/42/85/179394285.db2.gz WCDKJMJHDYUXNH-RISCZKNCSA-N 0 3 251.326 2.143 10 0 CEAEHN COCCNCc1c[nH]c(CSC(C)(C)C)n1 ZINC000087120077 179395266 /nfs/dbraw/zinc/39/52/66/179395266.db2.gz UHHYYJKJHFFOFK-UHFFFAOYSA-N 0 3 257.403 2.177 10 0 CEAEHN COCCNCc1cnc(CSC(C)(C)C)[nH]1 ZINC000087120077 179395268 /nfs/dbraw/zinc/39/52/68/179395268.db2.gz UHHYYJKJHFFOFK-UHFFFAOYSA-N 0 3 257.403 2.177 10 0 CEAEHN CCC1CCC(O)(CNC[C@@H](O)c2ccco2)CC1 ZINC000087065958 179389943 /nfs/dbraw/zinc/38/99/43/179389943.db2.gz ORIJZDSKOWGBDW-JVWICGRDSA-N 0 3 267.369 2.234 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCC2(C)CCCC2)C1 ZINC000066701090 362880904 /nfs/dbraw/zinc/88/09/04/362880904.db2.gz CIWYXULEAXFEDL-CYBMUJFWSA-N 0 3 267.417 2.350 10 0 CEAEHN OCCN1CCCC[C@H](c2cc3ccccc3nn2)C1 ZINC000616630041 348540313 /nfs/dbraw/zinc/54/03/13/348540313.db2.gz XZRWAONMZBTTSI-AWEZNQCLSA-N 0 3 271.364 2.192 10 0 CEAEHN Nc1ccc([C@@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000616631563 348540872 /nfs/dbraw/zinc/54/08/72/348540872.db2.gz BWQCYAQVWHKIOP-KRWDZBQOSA-N 0 3 267.376 2.415 10 0 CEAEHN CNCc1c(C)nc([C@@H]2COc3ccccc3O2)nc1C ZINC000087860952 179504273 /nfs/dbraw/zinc/50/42/73/179504273.db2.gz PEAQSWGCJYSYKR-HNNXBMFYSA-N 0 3 285.347 2.325 10 0 CEAEHN CCN1CCc2ccccc2[C@H]1c1ccnc(N)c1 ZINC000616583488 348526061 /nfs/dbraw/zinc/52/60/61/348526061.db2.gz CZBGFXUOAPHNEY-MRXNPFEDSA-N 0 3 253.349 2.462 10 0 CEAEHN CCN1CCO[C@@H](c2cnnc3ccccc32)CC1 ZINC000616594222 348528147 /nfs/dbraw/zinc/52/81/47/348528147.db2.gz OZEDNLDKFKIWGO-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN OCCN1CCO[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616595092 348528207 /nfs/dbraw/zinc/52/82/07/348528207.db2.gz JTUGESRWORUOLS-CYBMUJFWSA-N 0 3 255.745 2.096 10 0 CEAEHN CCN1CCO[C@H](c2cccc3nnccc32)CC1 ZINC000616593792 348528498 /nfs/dbraw/zinc/52/84/98/348528498.db2.gz LJDKNFHNBZKMNS-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CCOCOc1ccc(Cl)cc1CNCCOC ZINC000087888667 179513200 /nfs/dbraw/zinc/51/32/00/179513200.db2.gz WLOPSXOLMPLTHT-UHFFFAOYSA-N 0 3 273.760 2.449 10 0 CEAEHN COc1ccc(CCn2nc(C)c(CN)c2C)cc1 ZINC000088103116 179548757 /nfs/dbraw/zinc/54/87/57/179548757.db2.gz QKADEIMLEYUTOU-UHFFFAOYSA-N 0 3 259.353 2.210 10 0 CEAEHN COC(=O)c1sc2ccccc2c1NC(=O)C1(N)CC1 ZINC000088130820 179553779 /nfs/dbraw/zinc/55/37/79/179553779.db2.gz GJMGIZYCCKQJIL-UHFFFAOYSA-N 0 3 290.344 2.118 10 0 CEAEHN c1cnn([C@@H]2CCN(Cc3ccccc3)CCO2)c1 ZINC000616664085 348554588 /nfs/dbraw/zinc/55/45/88/348554588.db2.gz NPUJBCKLENEBNH-HNNXBMFYSA-N 0 3 257.337 2.304 10 0 CEAEHN Nc1ccc([C@H]2c3ccccc3CCN2CCO)cc1 ZINC000616679662 348557977 /nfs/dbraw/zinc/55/79/77/348557977.db2.gz WWSCOQSSSOYCGP-KRWDZBQOSA-N 0 3 268.360 2.209 10 0 CEAEHN CC(C)(C)OC(=O)N1c2ccccc2NC[C@H]1CN ZINC000616683534 348559461 /nfs/dbraw/zinc/55/94/61/348559461.db2.gz HMUHWBJOVASOJA-SNVBAGLBSA-N 0 3 263.341 2.181 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1CNCc1ccncc1Cl ZINC000088781490 539685082 /nfs/dbraw/zinc/68/50/82/539685082.db2.gz FJGLREWWCBBSAO-DGCLKSJQSA-N 0 3 254.761 2.376 10 0 CEAEHN Cc1cc(C[C@H](N)c2ccc(F)cc2F)n(C)n1 ZINC000089194479 179750236 /nfs/dbraw/zinc/75/02/36/179750236.db2.gz BJDXINCKPJZDKU-ZDUSSCGKSA-N 0 3 251.280 2.249 10 0 CEAEHN CC(C)n1c2cccc(F)c2nc1[C@]1(C)COC[C@H]1N ZINC000090571794 180007329 /nfs/dbraw/zinc/00/73/29/180007329.db2.gz ZYXAKPIRSPSOFH-IUODEOHRSA-N 0 3 277.343 2.372 10 0 CEAEHN Cc1ccc2c(c1)nc([C@@]1(C)COC[C@@H]1N)n2C1CC1 ZINC000090571705 180007549 /nfs/dbraw/zinc/00/75/49/180007549.db2.gz XAYTYTVQBKOAJM-HOCLYGCPSA-N 0 3 271.364 2.295 10 0 CEAEHN CC(C)n1c2ccccc2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571669 180007679 /nfs/dbraw/zinc/00/76/79/180007679.db2.gz HRCYJYMZMDYYIO-ZFWWWQNUSA-N 0 3 259.353 2.232 10 0 CEAEHN C[C@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)COC[C@H]1N ZINC000090580622 180008163 /nfs/dbraw/zinc/00/81/63/180008163.db2.gz JFQQYILDZDUXIB-PWSUYJOCSA-N 0 3 289.162 2.296 10 0 CEAEHN CC(C)(C)c1ccc(NC(=O)[C@@]2(C)COC[C@H]2N)cc1 ZINC000090580330 180008387 /nfs/dbraw/zinc/00/83/87/180008387.db2.gz KYLHPDZVCJSDRX-CJNGLKHVSA-N 0 3 276.380 2.286 10 0 CEAEHN C[C@@]1(c2nc3cc(Cl)ccc3o2)COC[C@@H]1N ZINC000090574330 180008846 /nfs/dbraw/zinc/00/88/46/180008846.db2.gz GCQIFCLUSKVTLQ-CMPLNLGQSA-N 0 3 252.701 2.096 10 0 CEAEHN C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@]1(C)COC[C@@H]1N ZINC000090595921 180010453 /nfs/dbraw/zinc/01/04/53/180010453.db2.gz NGKXLHBDJBFWHH-DGFSRKRXSA-N 0 3 296.798 2.223 10 0 CEAEHN CCN(Cc1cccc(Cl)c1)C(=O)[C@]1(C)COC[C@H]1N ZINC000090592288 180010490 /nfs/dbraw/zinc/01/04/90/180010490.db2.gz QOHARZQLKBDCQS-UKRRQHHQSA-N 0 3 296.798 2.052 10 0 CEAEHN COc1cccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1F ZINC000090622686 180015177 /nfs/dbraw/zinc/01/51/77/180015177.db2.gz HTVGQOXPYLCPRF-NWDGAFQWSA-N 0 3 292.354 2.143 10 0 CEAEHN Cc1ccc2c(c1)C[C@H](CNCc1cccnc1)O2 ZINC000090897282 180056887 /nfs/dbraw/zinc/05/68/87/180056887.db2.gz KJBOHDVFDQERQJ-OAHLLOKOSA-N 0 3 254.333 2.483 10 0 CEAEHN CSc1ccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905671 180059786 /nfs/dbraw/zinc/05/97/86/180059786.db2.gz FGBBFQABAWVNDF-GUTXKFCHSA-N 0 3 278.421 2.272 10 0 CEAEHN CC(C)NCc1occc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907970 180061716 /nfs/dbraw/zinc/06/17/16/180061716.db2.gz HJWFKJPUFOZDCQ-OKILXGFUSA-N 0 3 264.369 2.141 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H](CO)CC(C)C ZINC000090960410 180075273 /nfs/dbraw/zinc/07/52/73/180075273.db2.gz HRYKISMLLLKETJ-LLVKDONJSA-N 0 3 270.398 2.203 10 0 CEAEHN CO[C@@H]1CCC[C@@H]1NCc1sccc1NC(C)=O ZINC000090960558 180075382 /nfs/dbraw/zinc/07/53/82/180075382.db2.gz JFBJIKBBTBHOHF-CMPLNLGQSA-N 0 3 268.382 2.364 10 0 CEAEHN CC(=O)Nc1ccsc1CNC[C@@H]1CCCCN1C ZINC000090960505 180075389 /nfs/dbraw/zinc/07/53/89/180075389.db2.gz ANBRHMQEIFXHIR-LBPRGKRZSA-N 0 3 281.425 2.280 10 0 CEAEHN FC(F)n1ccnc1Cn1cccc1CNC1CC1 ZINC000091001526 180083555 /nfs/dbraw/zinc/08/35/55/180083555.db2.gz BNQSBJOLKDOBFP-UHFFFAOYSA-N 0 3 266.295 2.380 10 0 CEAEHN COc1ccc(CNCc2c[nH]c3ncccc23)cn1 ZINC000091016283 180086852 /nfs/dbraw/zinc/08/68/52/180086852.db2.gz SNYFZTLXASLQSS-UHFFFAOYSA-N 0 3 268.320 2.256 10 0 CEAEHN COCCNCc1cn(CCOC(C)C)c2ncccc12 ZINC000091021298 180088640 /nfs/dbraw/zinc/08/86/40/180088640.db2.gz YXFYZIXWUPDFPE-UHFFFAOYSA-N 0 3 291.395 2.197 10 0 CEAEHN CCn1cccc1CN[C@@H](CC(C)C)C(=O)N(C)C ZINC000091023532 180089042 /nfs/dbraw/zinc/08/90/42/180089042.db2.gz PGLZIQDBAKGROZ-AWEZNQCLSA-N 0 3 265.401 2.101 10 0 CEAEHN C[C@@H](NC(=O)C[C@H]1CSCCN1)c1ccccc1F ZINC000091135399 180103935 /nfs/dbraw/zinc/10/39/35/180103935.db2.gz BWTIGGPYHJLAJM-MNOVXSKESA-N 0 3 282.384 2.098 10 0 CEAEHN CCc1c(CNCCOC)cnn1[C@@H](C)C1CC1 ZINC000091338125 180136519 /nfs/dbraw/zinc/13/65/19/180136519.db2.gz NQMOAGCGFMGXHJ-NSHDSACASA-N 0 3 251.374 2.153 10 0 CEAEHN Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3N2)no1 ZINC000091358731 180140364 /nfs/dbraw/zinc/14/03/64/180140364.db2.gz CPKAGJIQGYTDBN-WOPDTQHZSA-N 0 3 263.341 2.232 10 0 CEAEHN CC(C)CCN(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276345 180120121 /nfs/dbraw/zinc/12/01/21/180120121.db2.gz XJWFNBWFKWIUMH-ZDUSSCGKSA-N 0 3 250.390 2.196 10 0 CEAEHN O=C(C[C@@H]1CNCCO1)Nc1ccccc1C(F)(F)F ZINC000091298920 180125196 /nfs/dbraw/zinc/12/51/96/180125196.db2.gz XKWVROXSFYPNMD-SECBINFHSA-N 0 3 288.269 2.022 10 0 CEAEHN CCOc1ccc(Oc2cncc(CNC)n2)cc1 ZINC000091434204 180154414 /nfs/dbraw/zinc/15/44/14/180154414.db2.gz ZHKKEVOFXDTUCH-UHFFFAOYSA-N 0 3 259.309 2.387 10 0 CEAEHN CN[C@@H](C)c1cc(F)ccc1N(C)CC1CC(O)C1 ZINC000091459874 180161546 /nfs/dbraw/zinc/16/15/46/180161546.db2.gz GPUUPGJOHSTGSC-ZBOXLXRLSA-N 0 3 266.360 2.313 10 0 CEAEHN Cc1ccc(C[C@@H](N)c2cccc3c2OCCO3)nc1 ZINC000091385261 180143570 /nfs/dbraw/zinc/14/35/70/180143570.db2.gz CAUVOEMJNCOYAQ-CQSZACIVSA-N 0 3 270.332 2.404 10 0 CEAEHN CCOC(=O)[C@H]1C[C@]12CCN(Cc1ccccc1)C2 ZINC000104853510 186028950 /nfs/dbraw/zinc/02/89/50/186028950.db2.gz FCWLRKKKNGDVQE-ZBFHGGJFSA-N 0 3 259.349 2.462 10 0 CEAEHN CC[C@H](C)N(C)c1cncc(CNCC(C)C)n1 ZINC000091419060 180150656 /nfs/dbraw/zinc/15/06/56/180150656.db2.gz HTOFJFZHMXJXFR-LBPRGKRZSA-N 0 3 250.390 2.457 10 0 CEAEHN CCNCc1cncc(N(CCOC)C(CC)CC)n1 ZINC000091420832 180150719 /nfs/dbraw/zinc/15/07/19/180150719.db2.gz ORPGICWPCFACES-UHFFFAOYSA-N 0 3 280.416 2.228 10 0 CEAEHN CCNCc1cncc(-n2nc(C)c(Cl)c2C)n1 ZINC000091422269 180151120 /nfs/dbraw/zinc/15/11/20/180151120.db2.gz WOADPYUVCQRIGO-UHFFFAOYSA-N 0 3 265.748 2.042 10 0 CEAEHN COc1ccc([C@H](N)C(C)(C)N2CCOCC2)c(C)c1 ZINC000091566203 180194095 /nfs/dbraw/zinc/19/40/95/180194095.db2.gz IPXBNSBTEXHMKA-HNNXBMFYSA-N 0 3 278.396 2.114 10 0 CEAEHN CN[C@H](c1cc(F)cc(F)c1)C(C)(C)N1CCOCC1 ZINC000091566614 180194183 /nfs/dbraw/zinc/19/41/83/180194183.db2.gz WYVQCXWKBVWLRH-CQSZACIVSA-N 0 3 284.350 2.336 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cc(OC)ccc1OC)N(C)C ZINC000091570147 180195668 /nfs/dbraw/zinc/19/56/68/180195668.db2.gz OVVOSJKSQAUCKS-LSDHHAIUSA-N 0 3 266.385 2.434 10 0 CEAEHN CC(C)c1nn(C)c(N2CCN(C3CCCC3)CC2)c1N ZINC000091577525 180197839 /nfs/dbraw/zinc/19/78/39/180197839.db2.gz HHOQOLYNBDKIAZ-UHFFFAOYSA-N 0 3 291.443 2.190 10 0 CEAEHN CC(C)c1nn(C)c(NC[C@H](C)N2CCCCC2)c1N ZINC000091581417 180198889 /nfs/dbraw/zinc/19/88/89/180198889.db2.gz CHSRMLGNALQKAJ-LBPRGKRZSA-N 0 3 279.432 2.412 10 0 CEAEHN CCN[C@@H](c1cncnc1)[C@](C)(CC)N1CCCC1 ZINC000091607179 180204546 /nfs/dbraw/zinc/20/45/46/180204546.db2.gz ZKCMWSIJXKJIFK-GJZGRUSLSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccsc1)N1CCOCC1 ZINC000091611620 180206258 /nfs/dbraw/zinc/20/62/58/180206258.db2.gz YYTJGBHWGKJMBE-QWHCGFSZSA-N 0 3 254.399 2.249 10 0 CEAEHN CC[C@](C)([C@H](N)c1cccs1)N1CCOCC1 ZINC000091612182 180207341 /nfs/dbraw/zinc/20/73/41/180207341.db2.gz TUNOHQVMVMJZHB-CHWSQXEVSA-N 0 3 254.399 2.249 10 0 CEAEHN CN[C@H](c1cc(Cl)cnc1N)C1(N(C)C)CCCC1 ZINC000091637559 180212316 /nfs/dbraw/zinc/21/23/16/180212316.db2.gz SFWRXZZMTKYGFE-GFCCVEGCSA-N 0 3 282.819 2.452 10 0 CEAEHN CC(C)n1ncnc1CC(=O)[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000091650355 180216003 /nfs/dbraw/zinc/21/60/03/180216003.db2.gz KBTRUXLUPRPDQV-XJKSGUPXSA-N 0 3 292.427 2.481 10 0 CEAEHN CCCN[C@H](c1cccc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719265 180234517 /nfs/dbraw/zinc/23/45/17/180234517.db2.gz FGKYVKMLMMOBAU-HUUCEWRRSA-N 0 3 266.360 2.197 10 0 CEAEHN CCN[C@H](c1ccc(F)c(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721829 180239642 /nfs/dbraw/zinc/23/96/42/180239642.db2.gz PMVKATOJQIWMPO-UHOFOFEASA-N 0 3 296.361 2.479 10 0 CEAEHN CN[C@H](c1cc(F)ccc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720896 180235724 /nfs/dbraw/zinc/23/57/24/180235724.db2.gz RZHINWOJJSCNRF-KCPJHIHWSA-N 0 3 282.334 2.089 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1cnc2ccsc2c1 ZINC000624237181 350240296 /nfs/dbraw/zinc/24/02/96/350240296.db2.gz RGAPCCOLUXIYMZ-XHVZSJERSA-N 0 3 278.377 2.097 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@H](NC[C@@H]2CCCC[C@@H]2C)C1=O ZINC000105500688 186062093 /nfs/dbraw/zinc/06/20/93/186062093.db2.gz CPTKNIQRMZLUDJ-CRWXNKLISA-N 0 3 280.412 2.328 10 0 CEAEHN CC(C)CNCc1cnc([C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091723184 180242018 /nfs/dbraw/zinc/24/20/18/180242018.db2.gz MLRXBCORFBBKAG-TZMCWYRMSA-N 0 3 295.452 2.424 10 0 CEAEHN OC[C@H]1CCCN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091736019 180242929 /nfs/dbraw/zinc/24/29/29/180242929.db2.gz NGUYNGPWHQUDGP-KGLIPLIRSA-N 0 3 294.782 2.290 10 0 CEAEHN CCc1oc2ccccc2c1CNC[C@H]1CN(C)CCO1 ZINC000105471615 186058600 /nfs/dbraw/zinc/05/86/00/186058600.db2.gz JDIDDXPPTHKCBQ-ZDUSSCGKSA-N 0 3 288.391 2.415 10 0 CEAEHN CN(C[C@@H]1Cc2ccccc2O1)C1CCC(=O)CC1 ZINC000091854045 180273687 /nfs/dbraw/zinc/27/36/87/180273687.db2.gz VHRISXKREGWMFS-HNNXBMFYSA-N 0 3 259.349 2.434 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc3ccc(F)cc3s2)C1 ZINC000091939639 180289045 /nfs/dbraw/zinc/28/90/45/180289045.db2.gz GMYGYEIFAXETHE-PSASIEDQSA-N 0 3 252.314 2.485 10 0 CEAEHN CCNCc1ncoc1-c1cc(OC)c(OC)cc1OC ZINC000091957877 180292157 /nfs/dbraw/zinc/29/21/57/180292157.db2.gz QDGLRIKFJZAWDV-UHFFFAOYSA-N 0 3 292.335 2.477 10 0 CEAEHN CC[C@H]1CN(C(=O)N2CCCCC2)[C@@H](CC)CN1 ZINC000091969519 180294431 /nfs/dbraw/zinc/29/44/31/180294431.db2.gz RRMVCLIEPMBQMF-STQMWFEESA-N 0 3 253.390 2.055 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc(C)s2)C1 ZINC000092052356 180313237 /nfs/dbraw/zinc/31/32/37/180313237.db2.gz OSOZJJNYHYOWBG-QWHCGFSZSA-N 0 3 268.426 2.428 10 0 CEAEHN C[C@H]1CCCN(C(=O)Nc2cccc(F)c2C(=N)N)C1 ZINC000091993310 180300593 /nfs/dbraw/zinc/30/05/93/180300593.db2.gz JZLCXPKIBNAAEK-VIFPVBQESA-N 0 3 278.331 2.374 10 0 CEAEHN CCC[C@H](C)NC(=O)COc1ccc(C)nc1CNCC ZINC000091994948 180300794 /nfs/dbraw/zinc/30/07/94/180300794.db2.gz RAVRMDISRGRSLL-LBPRGKRZSA-N 0 3 293.411 2.183 10 0 CEAEHN CNCc1nc(C)ccc1OCc1ncc(Cl)n1C ZINC000091994228 180301471 /nfs/dbraw/zinc/30/14/71/180301471.db2.gz GTHOQNLKCIMYNW-UHFFFAOYSA-N 0 3 280.759 2.075 10 0 CEAEHN CC[C@H](O)COc1ccc(C)nc1CNCC(C)C ZINC000091996385 180302142 /nfs/dbraw/zinc/30/21/42/180302142.db2.gz JWYIKDMPGYTPJO-ZDUSSCGKSA-N 0 3 266.385 2.285 10 0 CEAEHN COC(=O)CCCOc1ccc(C)nc1CNCC(C)C ZINC000091996312 180302419 /nfs/dbraw/zinc/30/24/19/180302419.db2.gz FTBQDGFPFOTDTO-UHFFFAOYSA-N 0 3 294.395 2.468 10 0 CEAEHN CC(C)(C)OCCN1CCC(Nc2cccnn2)CC1 ZINC000105805913 186072281 /nfs/dbraw/zinc/07/22/81/186072281.db2.gz YQGSWOQZZOPKMU-UHFFFAOYSA-N 0 3 278.400 2.168 10 0 CEAEHN CN[C@@H](c1cc(OC)ccc1OC)C(C)(C)OC ZINC000092139129 180333758 /nfs/dbraw/zinc/33/37/58/180333758.db2.gz CEILKLMJZHSSQW-ZDUSSCGKSA-N 0 3 253.342 2.389 10 0 CEAEHN C[C@@H](C(=O)Nc1ccc(F)c(N)c1)N1C[C@H](C)[C@H](C)C1 ZINC000092081147 180319588 /nfs/dbraw/zinc/31/95/88/180319588.db2.gz XYZJHIQJCVBFCH-AXFHLTTASA-N 0 3 279.359 2.323 10 0 CEAEHN Cc1nn(C)c(N2C[C@@H](C)[C@H](C)C2)c1CNC1CC1 ZINC000092086719 180320524 /nfs/dbraw/zinc/32/05/24/180320524.db2.gz CLVYUHLTWSZSES-GHMZBOCLSA-N 0 3 262.401 2.073 10 0 CEAEHN CC(C)CNCc1cncc(N2C[C@H](C)[C@@H](C)C2)n1 ZINC000092089049 180321442 /nfs/dbraw/zinc/32/14/42/180321442.db2.gz CJRHJBKKNKNFRL-STQMWFEESA-N 0 3 262.401 2.314 10 0 CEAEHN c1cc(CNC2CC2)n(C[C@@H]2COc3ccccc32)n1 ZINC000092306718 180360575 /nfs/dbraw/zinc/36/05/75/180360575.db2.gz LRSBXSHFPQIOJG-GFCCVEGCSA-N 0 3 269.348 2.311 10 0 CEAEHN CCN[C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1C ZINC000105832577 186075284 /nfs/dbraw/zinc/07/52/84/186075284.db2.gz LBHSNNSPSXNVOQ-ZFWWWQNUSA-N 0 3 288.391 2.349 10 0 CEAEHN CCCN[C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1 ZINC000105832457 186075735 /nfs/dbraw/zinc/07/57/35/186075735.db2.gz LSHTXSPEPQENTE-JSGCOSHPSA-N 0 3 274.364 2.122 10 0 CEAEHN O[C@H](CN1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000105886666 186084333 /nfs/dbraw/zinc/08/43/33/186084333.db2.gz HLOSITRQQUXATH-QGZVFWFLSA-N 0 3 285.391 2.329 10 0 CEAEHN CCN(CCOC)[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387863 180374602 /nfs/dbraw/zinc/37/46/02/180374602.db2.gz RLKXSAKAUYWCAD-CVEARBPZSA-N 0 3 279.380 2.012 10 0 CEAEHN Cc1ccccc1OCCN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107925238 186198043 /nfs/dbraw/zinc/19/80/43/186198043.db2.gz AAJUJYDAZXJEHK-YIONKMFJSA-N 0 3 261.365 2.362 10 0 CEAEHN CCN1CC[C@H](Cn2c3ccncc3[nH]c2=S)C1 ZINC000092514350 180399801 /nfs/dbraw/zinc/39/98/01/180399801.db2.gz XLBQMEKWXXSUBU-JTQLQIEISA-N 0 3 262.382 2.436 10 0 CEAEHN Cc1ccc([C@@H](C)NCC(C)(C)NS(C)(=O)=O)c(C)c1 ZINC000109041895 186241497 /nfs/dbraw/zinc/24/14/97/186241497.db2.gz HCSIEJZDQPVKJR-CYBMUJFWSA-N 0 3 298.452 2.282 10 0 CEAEHN COc1ccc(CN[C@@H]2CCN(C(C)C)C2)c(OC)c1 ZINC000109553938 186262936 /nfs/dbraw/zinc/26/29/36/186262936.db2.gz WUHFNBJKXQNCKQ-CQSZACIVSA-N 0 3 278.396 2.276 10 0 CEAEHN Cc1ncn(-c2cc(CN)nc3ccccc32)c1C ZINC000109589821 186264782 /nfs/dbraw/zinc/26/47/82/186264782.db2.gz CJUUSVWFAXGGSK-UHFFFAOYSA-N 0 3 252.321 2.496 10 0 CEAEHN CCc1cccc2c(CC(=O)N3CC[C@@H](N(C)C)C3)c[nH]c21 ZINC000109272350 186247044 /nfs/dbraw/zinc/24/70/44/186247044.db2.gz HKMXIEKDXQMNLJ-OAHLLOKOSA-N 0 3 299.418 2.435 10 0 CEAEHN CC[C@H](C(N)=S)N1CCN(Cc2cccc(C)c2)CC1 ZINC000109469797 186253840 /nfs/dbraw/zinc/25/38/40/186253840.db2.gz MMARKOIBGWLALA-OAHLLOKOSA-N 0 3 291.464 2.177 10 0 CEAEHN Cc1noc(C)c1CNC[C@H](O)c1cccs1 ZINC000109463989 186253865 /nfs/dbraw/zinc/25/38/65/186253865.db2.gz FFEKYTAYDXKPOD-NSHDSACASA-N 0 3 252.339 2.176 10 0 CEAEHN CC[C@@H](C(N)=S)N1CCN(Cc2ccc(C)cc2)CC1 ZINC000109469790 186253890 /nfs/dbraw/zinc/25/38/90/186253890.db2.gz XSMJQNCHTRJCCQ-HNNXBMFYSA-N 0 3 291.464 2.177 10 0 CEAEHN CCCCCCN1CCN([C@@H](CC)C(N)=S)CC1 ZINC000109469898 186254290 /nfs/dbraw/zinc/25/42/90/186254290.db2.gz VDHWRPZLHAQBHN-ZDUSSCGKSA-N 0 3 271.474 2.249 10 0 CEAEHN Cc1cccc(CN2CCN(C(C)(C)C(N)=S)CC2)c1 ZINC000109471018 186254778 /nfs/dbraw/zinc/25/47/78/186254778.db2.gz YIDOIQGYAJVRRD-UHFFFAOYSA-N 0 3 291.464 2.177 10 0 CEAEHN CCOc1cc(OC2CCN(C)CC2)c(N)cc1F ZINC000110635213 186307868 /nfs/dbraw/zinc/30/78/68/186307868.db2.gz AMWSLTCRTUKJOJ-UHFFFAOYSA-N 0 3 268.332 2.280 10 0 CEAEHN c1ccc(-c2n[nH]nc2CNC[C@@H]2CCCCO2)cc1 ZINC000110925203 186333679 /nfs/dbraw/zinc/33/36/79/186333679.db2.gz FWQXPDHNLFSAPZ-ZDUSSCGKSA-N 0 3 272.352 2.130 10 0 CEAEHN c1ccc(-c2nn[nH]c2CNC[C@@H]2CCCCO2)cc1 ZINC000110925203 186333681 /nfs/dbraw/zinc/33/36/81/186333681.db2.gz FWQXPDHNLFSAPZ-ZDUSSCGKSA-N 0 3 272.352 2.130 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OCCC(=O)NC ZINC000110960574 186336506 /nfs/dbraw/zinc/33/65/06/186336506.db2.gz LQNBPBKVEHJZLC-GFCCVEGCSA-N 0 3 264.369 2.180 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1O[C@H](C)C(=O)NC1CC1 ZINC000110959582 186337104 /nfs/dbraw/zinc/33/71/04/186337104.db2.gz QEBRMDRPAMAKPK-VXGBXAGGSA-N 0 3 276.380 2.321 10 0 CEAEHN NC[C@@H](Oc1ccccc1CO)c1ccccc1F ZINC000110992711 186340123 /nfs/dbraw/zinc/34/01/23/186340123.db2.gz HLFVVHNXALIAHS-OAHLLOKOSA-N 0 3 261.296 2.397 10 0 CEAEHN Cc1ccc([C@H](O)[C@@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110736502 186319301 /nfs/dbraw/zinc/31/93/01/186319301.db2.gz ZNSNNUVWUBBKBA-GDBMZVCRSA-N 0 3 276.424 2.443 10 0 CEAEHN CCNCc1oc(CN2CCN(C)[C@@H](CC)C2)cc1C ZINC000110754383 186320806 /nfs/dbraw/zinc/32/08/06/186320806.db2.gz YNNGEWFHSRKYMC-AWEZNQCLSA-N 0 3 279.428 2.224 10 0 CEAEHN CN(Cc1cccnc1)[C@@H](CN)c1cccc(F)c1F ZINC000111039273 186346563 /nfs/dbraw/zinc/34/65/63/186346563.db2.gz DXWXHVGLVFAZJR-AWEZNQCLSA-N 0 3 277.318 2.492 10 0 CEAEHN CN[C@@H](CN(C)C[C@@H]1CCCOC1)c1ccccc1OC ZINC000111160314 186361531 /nfs/dbraw/zinc/36/15/31/186361531.db2.gz CSRPAGZZUMQUHA-HOCLYGCPSA-N 0 3 292.423 2.314 10 0 CEAEHN CCCOCCOC[C@H](N)c1ccc(OC)cc1 ZINC000111108109 186353617 /nfs/dbraw/zinc/35/36/17/186353617.db2.gz MJAFXJHSKVWEDA-AWEZNQCLSA-N 0 3 253.342 2.138 10 0 CEAEHN CCCOCCOc1ncc(CNC)cc1Cl ZINC000111110880 186353919 /nfs/dbraw/zinc/35/39/19/186353919.db2.gz GKTKGKAHHXONNN-UHFFFAOYSA-N 0 3 258.749 2.260 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1cc(OC)cc(OC)c1 ZINC000111117821 186355305 /nfs/dbraw/zinc/35/53/05/186355305.db2.gz SOKZQCGLJLAIEP-INIZCTEOSA-N 0 3 296.411 2.062 10 0 CEAEHN CCc1ccc(C(=O)[C@H](C)N(C)CCN(C)C)cc1 ZINC000111139676 186357632 /nfs/dbraw/zinc/35/76/32/186357632.db2.gz QFRLLKGZIMOBEZ-ZDUSSCGKSA-N 0 3 262.397 2.314 10 0 CEAEHN CN(C)CCN(C)CC(C)(C)C(=O)c1ccccc1 ZINC000111146482 186359021 /nfs/dbraw/zinc/35/90/21/186359021.db2.gz RFFYJFPNBKVFCG-UHFFFAOYSA-N 0 3 262.397 2.389 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@@H]1N(C)CC1CCOCC1 ZINC000111162272 186364070 /nfs/dbraw/zinc/36/40/70/186364070.db2.gz VRNBCQHJVRRPDP-DOTOQJQBSA-N 0 3 290.407 2.067 10 0 CEAEHN C[C@@H](N)c1cnc(N(C)C[C@@H]2CCCOC2)s1 ZINC000111177057 186364883 /nfs/dbraw/zinc/36/48/83/186364883.db2.gz GFYCHGKCHODVEO-ZJUUUORDSA-N 0 3 255.387 2.026 10 0 CEAEHN c1ncn(C[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111229138 186372057 /nfs/dbraw/zinc/37/20/57/186372057.db2.gz JGGDKWCSKLOJMD-HNNXBMFYSA-N 0 3 298.390 2.125 10 0 CEAEHN Cc1nc(Cl)c(C)c(N(C)C2CCN(C)CC2)n1 ZINC000111295387 186392030 /nfs/dbraw/zinc/39/20/30/186392030.db2.gz ZDUDIGBTIWZSCB-UHFFFAOYSA-N 0 3 268.792 2.277 10 0 CEAEHN CN1CCC(OC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000111678209 186440810 /nfs/dbraw/zinc/44/08/10/186440810.db2.gz BISAESGKMAXIKT-UHFFFAOYSA-N 0 3 273.254 2.355 10 0 CEAEHN CCN(Cc1ccoc1)C(=O)[C@]1(C)CCCCN1 ZINC000629600372 351428551 /nfs/dbraw/zinc/42/85/51/351428551.db2.gz VOXYTBFHAOCFCF-AWEZNQCLSA-N 0 3 250.342 2.160 10 0 CEAEHN CCC[C@@H](O)CN[C@H](C)c1c(C)nn(CC)c1C ZINC000131106329 366020841 /nfs/dbraw/zinc/02/08/41/366020841.db2.gz NONBZGRJKAYBTN-ZWNOBZJWSA-N 0 3 253.390 2.331 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NC[C@@H](C)N1CCOCC1 ZINC000123353862 187086512 /nfs/dbraw/zinc/08/65/12/187086512.db2.gz ZRZJYZIVACLZEZ-HUUCEWRRSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN1CCC[C@@H](NCc2ccncc2Br)C1 ZINC000631049576 351937706 /nfs/dbraw/zinc/93/77/06/351937706.db2.gz KIXHCTGFDMTNKI-GFCCVEGCSA-N 0 3 298.228 2.418 10 0 CEAEHN COCc1nc(CNC[C@@H]2CCO[C@@H](C)C2)cs1 ZINC000678361959 539833565 /nfs/dbraw/zinc/83/35/65/539833565.db2.gz ORDPPWKXBXZCED-WDEREUQCSA-N 0 3 270.398 2.194 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@H](C2CC2)NC[C@H]1C1CC1 ZINC000071372363 363108811 /nfs/dbraw/zinc/10/88/11/363108811.db2.gz LJTPAFSSEODCRE-OLZOCXBDSA-N 0 3 266.385 2.384 10 0 CEAEHN N[C@H](CO)c1cc(C(F)(F)F)cc(Cl)c1F ZINC000072199266 363120511 /nfs/dbraw/zinc/12/05/11/363120511.db2.gz NXZHOVCHQPCDJJ-SSDOTTSWSA-N 0 3 257.614 2.490 10 0 CEAEHN Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CCO[C@@H]1C ZINC000149618407 187922414 /nfs/dbraw/zinc/92/24/14/187922414.db2.gz BBHIRORMORWEPS-ZYHUDNBSSA-N 0 3 282.771 2.354 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cc(Cl)cn2C)[C@@H](C)C1 ZINC000155473261 188208131 /nfs/dbraw/zinc/20/81/31/188208131.db2.gz FDIFRECNBGZWNH-JQWIXIFHSA-N 0 3 283.803 2.137 10 0 CEAEHN Cc1cc(C)cc(CCNC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000156158771 188245779 /nfs/dbraw/zinc/24/57/79/188245779.db2.gz DUBPUXMQIZUKJJ-INIZCTEOSA-N 0 3 289.423 2.191 10 0 CEAEHN NC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252793427 540008329 /nfs/dbraw/zinc/00/83/29/540008329.db2.gz XDUKATZPBPETAS-HLPPOEQASA-N 0 3 270.376 2.117 10 0 CEAEHN CC[C@@H]1COC(C)(C)CN1C[C@@H]1CCC[C@@H](O)C1 ZINC000403965888 540118343 /nfs/dbraw/zinc/11/83/43/540118343.db2.gz OKAUKGXEXYUGJS-MGPQQGTHSA-N 0 3 255.402 2.427 10 0 CEAEHN Cc1ccc(CN2CC[C@@H]3OCCN[C@@H]3C2)c(Cl)c1 ZINC000404257781 540120588 /nfs/dbraw/zinc/12/05/88/540120588.db2.gz MWDHAVLJILMFKT-CABCVRRESA-N 0 3 280.799 2.211 10 0 CEAEHN COCCC1(C(=O)N[C@H](CC(C)C)CN(C)C)CCC1 ZINC000133799090 366256915 /nfs/dbraw/zinc/25/69/15/366256915.db2.gz CTUFHNWRHHQHDW-CQSZACIVSA-N 0 3 284.444 2.286 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)c1ccccn1 ZINC000079207048 363585240 /nfs/dbraw/zinc/58/52/40/363585240.db2.gz ZCAFURLIWILQSD-UONOGXRCSA-N 0 3 292.427 2.418 10 0 CEAEHN CC[C@H](NC[C@H]1CN(C)CCO1)c1ccsc1 ZINC000294420588 199033155 /nfs/dbraw/zinc/03/31/55/199033155.db2.gz OICAFRYQSGFHMW-STQMWFEESA-N 0 3 254.399 2.119 10 0 CEAEHN OCC[C@@H]1CCC[C@H]1NCc1nc2cccnc2s1 ZINC000329211034 202235478 /nfs/dbraw/zinc/23/54/78/202235478.db2.gz YZXVIFVALJEABD-WDEREUQCSA-N 0 3 277.393 2.332 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000282244834 291185661 /nfs/dbraw/zinc/18/56/61/291185661.db2.gz GEXAOCFNUIVURV-BXKDBHETSA-N 0 3 286.297 2.462 10 0 CEAEHN CNC(=O)[C@H]1CCCN1CC(C)(C)c1ccccc1 ZINC000179786509 542257351 /nfs/dbraw/zinc/25/73/51/542257351.db2.gz PXLBYTDZEQGWEF-CQSZACIVSA-N 0 3 260.381 2.175 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@](C)(N2CCC2)C1 ZINC000685961927 540662768 /nfs/dbraw/zinc/66/27/68/540662768.db2.gz YETGMSTZAGIDQB-AWEZNQCLSA-N 0 3 254.374 2.482 10 0 CEAEHN COCCN1CCN(CCc2ccccc2F)C[C@@H]1C ZINC000137592900 366547053 /nfs/dbraw/zinc/54/70/53/366547053.db2.gz QHIIVEBQKNWXMX-AWEZNQCLSA-N 0 3 280.387 2.021 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1ccoc1C)N(C)C ZINC000138296729 366551836 /nfs/dbraw/zinc/55/18/36/366551836.db2.gz KMMMXGMEOYCYQT-CYBMUJFWSA-N 0 3 252.358 2.277 10 0 CEAEHN CCOC(=O)CCN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000151115777 366622831 /nfs/dbraw/zinc/62/28/31/366622831.db2.gz GELSOEDIKXHNKN-CQSZACIVSA-N 0 3 291.395 2.077 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000151427279 366643835 /nfs/dbraw/zinc/64/38/35/366643835.db2.gz CUDOGXFLEZEMKB-ZDUSSCGKSA-N 0 3 296.361 2.450 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1OC ZINC000177035425 189022766 /nfs/dbraw/zinc/02/27/66/189022766.db2.gz WCZBBHBZELZYPI-CYBMUJFWSA-N 0 3 276.380 2.252 10 0 CEAEHN Cc1ccc(N2CCCN([C@@H](C)c3ccccn3)CC2)nn1 ZINC000177126306 189030830 /nfs/dbraw/zinc/03/08/30/189030830.db2.gz PCVUZALVKOEDLO-HNNXBMFYSA-N 0 3 297.406 2.453 10 0 CEAEHN CC[C@@H]1CN([C@@H](C)c2ccccn2)CCN1CCOC ZINC000177132232 189031288 /nfs/dbraw/zinc/03/12/88/189031288.db2.gz MGPYADZNBXWQPH-LSDHHAIUSA-N 0 3 277.412 2.185 10 0 CEAEHN COC[C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000177313990 189043599 /nfs/dbraw/zinc/04/35/99/189043599.db2.gz MGPQXJPFNNZJIB-GFCCVEGCSA-N 0 3 264.369 2.278 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NOCc1ccccc1 ZINC000177317612 189043857 /nfs/dbraw/zinc/04/38/57/189043857.db2.gz ACLAIYCDZBXAFG-HNNXBMFYSA-N 0 3 291.395 2.244 10 0 CEAEHN Cc1cc(NC(=O)N2CCN3CCC[C@H]3C2)cnc1Cl ZINC000177963567 189082052 /nfs/dbraw/zinc/08/20/52/189082052.db2.gz XAYDEWCXNGRUQL-LBPRGKRZSA-N 0 3 294.786 2.355 10 0 CEAEHN COCc1cccc(CN2CCC[C@@H](n3cncn3)C2)c1 ZINC000179214410 189178106 /nfs/dbraw/zinc/17/81/06/189178106.db2.gz WUGLRVSZYBRIIB-MRXNPFEDSA-N 0 3 286.379 2.262 10 0 CEAEHN Cn1cc([C@H]2CCN(Cc3cnn4ccccc34)C2)cn1 ZINC000179808364 189222224 /nfs/dbraw/zinc/22/22/24/189222224.db2.gz DMVBBXWATVPERI-ZDUSSCGKSA-N 0 3 281.363 2.057 10 0 CEAEHN c1cnn(CC2CCN(Cc3cccc4nccn43)CC2)c1 ZINC000180125360 189238229 /nfs/dbraw/zinc/23/82/29/189238229.db2.gz XJSIWTUIGGCXOU-UHFFFAOYSA-N 0 3 295.390 2.443 10 0 CEAEHN CCCc1csc(NC(=O)N2CC[C@H](N(C)C)C2)n1 ZINC000180631740 189266683 /nfs/dbraw/zinc/26/66/83/189266683.db2.gz DFQWFMZDXJCCCD-NSHDSACASA-N 0 3 282.413 2.263 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@@H]2CN(C)CCO2)c1C ZINC000180501027 189259264 /nfs/dbraw/zinc/25/92/64/189259264.db2.gz ORAMAFVDSMFOHZ-LSDHHAIUSA-N 0 3 262.397 2.285 10 0 CEAEHN Cc1cccc([C@@H](C)NC[C@H]2CN(C)CCO2)c1C ZINC000180501046 189259354 /nfs/dbraw/zinc/25/93/54/189259354.db2.gz ORAMAFVDSMFOHZ-CABCVRRESA-N 0 3 262.397 2.285 10 0 CEAEHN Cc1ccc(CCCN2CCO[C@H](CN(C)C)C2)cc1 ZINC000181854003 189308573 /nfs/dbraw/zinc/30/85/73/189308573.db2.gz BMRBELHDZVUZQE-QGZVFWFLSA-N 0 3 276.424 2.190 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cc(Cl)cc(C)c1O ZINC000182201763 189316943 /nfs/dbraw/zinc/31/69/43/189316943.db2.gz XUUBIFGAUAQBKJ-VIFPVBQESA-N 0 3 256.733 2.420 10 0 CEAEHN CC(=O)Nc1cccc([C@H](N)CNC(=O)OC(C)(C)C)c1 ZINC000083428628 363772831 /nfs/dbraw/zinc/77/28/31/363772831.db2.gz FUYCHUKPYDOMEJ-CYBMUJFWSA-N 0 3 293.367 2.170 10 0 CEAEHN CC(C)Cc1ccc(CNC[C@@H]2CN(C)CCO2)cc1 ZINC000083552790 363779370 /nfs/dbraw/zinc/77/93/70/363779370.db2.gz ALIBQPPNHOWBMN-QGZVFWFLSA-N 0 3 276.424 2.305 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000183055707 189344415 /nfs/dbraw/zinc/34/44/15/189344415.db2.gz LKUPFYQXLJEXPJ-JSGCOSHPSA-N 0 3 295.814 2.018 10 0 CEAEHN CC[C@H](C)Oc1cc(CNC(=O)[C@@H](N)[C@@H](C)CC)ccn1 ZINC000183068342 189345245 /nfs/dbraw/zinc/34/52/45/189345245.db2.gz KPJRCVXIRXEPEH-HUBLWGQQSA-N 0 3 293.411 2.249 10 0 CEAEHN C[C@H](NCc1cc(F)cc2c1OCOC2)[C@H]1CCCO1 ZINC000183190561 189350084 /nfs/dbraw/zinc/35/00/84/189350084.db2.gz LKEGOBXPWIRNQC-IINYFYTJSA-N 0 3 281.327 2.349 10 0 CEAEHN Cc1nnc(NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000301691988 201142026 /nfs/dbraw/zinc/14/20/26/201142026.db2.gz KYAYANIXKUYTNF-OLZOCXBDSA-N 0 3 296.440 2.026 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)ccn1 ZINC000184099295 189376104 /nfs/dbraw/zinc/37/61/04/189376104.db2.gz DVYXTRZDFXNVFQ-CYBMUJFWSA-N 0 3 276.384 2.338 10 0 CEAEHN COC[C@@H](O)CCNc1ccnc2c(C)cccc12 ZINC000301869180 201242270 /nfs/dbraw/zinc/24/22/70/201242270.db2.gz GZCWCLCKZOYEEH-LBPRGKRZSA-N 0 3 260.337 2.353 10 0 CEAEHN C[C@H]1CNC[C@@H](c2ccc(Br)cc2)O1 ZINC000032108966 361727482 /nfs/dbraw/zinc/72/74/82/361727482.db2.gz RNNLKNHVQCIWCM-KWQFWETISA-N 0 3 256.143 2.499 10 0 CEAEHN Cc1nc2ccccc2nc1N1C[C@@H](C)NC[C@@H]1C ZINC000086470985 363837218 /nfs/dbraw/zinc/83/72/18/363837218.db2.gz YKEPOXYLMRNLLR-MNOVXSKESA-N 0 3 256.353 2.125 10 0 CEAEHN CCOC(=O)c1ccc(CN2CCN3CCCC[C@@H]3C2)o1 ZINC000092616219 364087465 /nfs/dbraw/zinc/08/74/65/364087465.db2.gz DEQJQWFBFCTEOG-CYBMUJFWSA-N 0 3 292.379 2.126 10 0 CEAEHN Cc1ncccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000092810980 364109651 /nfs/dbraw/zinc/10/96/51/364109651.db2.gz IYWRASSHACRSRE-UHFFFAOYSA-N 0 3 256.353 2.493 10 0 CEAEHN Cc1c(CNCCCN(C)c2ccccc2)cnn1C ZINC000093649184 364208782 /nfs/dbraw/zinc/20/87/82/364208782.db2.gz XGFNQFFKNVPAPG-UHFFFAOYSA-N 0 3 272.396 2.345 10 0 CEAEHN Cc1nc2sccc2c(N2C[C@@H]3CCN(C)[C@@H]3C2)n1 ZINC000095372271 364349301 /nfs/dbraw/zinc/34/93/01/364349301.db2.gz CFGJDJHQNISGCE-CMPLNLGQSA-N 0 3 274.393 2.140 10 0 CEAEHN NCc1cc(I)c(F)cc1F ZINC000098095785 364531512 /nfs/dbraw/zinc/53/15/12/364531512.db2.gz GXAFODQBISARRZ-UHFFFAOYSA-N 0 3 269.032 2.028 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)COC1CCCCC1 ZINC000113227290 364877166 /nfs/dbraw/zinc/87/71/66/364877166.db2.gz FPAPYZVHWFKKIT-ZIAGYGMSSA-N 0 3 280.412 2.031 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccccc2Cl)C1 ZINC000113266856 364880989 /nfs/dbraw/zinc/88/09/89/364880989.db2.gz IKMKGWFCUUQHEN-CYBMUJFWSA-N 0 3 268.788 2.150 10 0 CEAEHN CCC[C@H](C(=O)OCC)N1CCC(c2ccn[nH]2)CC1 ZINC000114802480 364966730 /nfs/dbraw/zinc/96/67/30/364966730.db2.gz XAXRLVRPLVAOBJ-CQSZACIVSA-N 0 3 279.384 2.321 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)c2cccc3ccccc32)CCO1 ZINC000116790390 365068625 /nfs/dbraw/zinc/06/86/25/365068625.db2.gz MNEMPYCTDQUAGY-HNNXBMFYSA-N 0 3 298.386 2.242 10 0 CEAEHN C[C@H](CN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000116876873 365076186 /nfs/dbraw/zinc/07/61/86/365076186.db2.gz YWJDLJIPOQMDFB-UKRRQHHQSA-N 0 3 260.381 2.343 10 0 CEAEHN COC(=O)c1ccc(CN2CCN3CCCC[C@@H]3C2)s1 ZINC000119313624 365252313 /nfs/dbraw/zinc/25/23/13/365252313.db2.gz IEYOQXOBQJPAKA-GFCCVEGCSA-N 0 3 294.420 2.205 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1csc(Cl)n1 ZINC000275512677 193064464 /nfs/dbraw/zinc/06/44/64/193064464.db2.gz IAUCNJTZVNASHD-VIFPVBQESA-N 0 3 287.816 2.353 10 0 CEAEHN CCC1(CNC(=O)N2CC[C@@H](N(C)C)C2)CCCC1 ZINC000119936057 365347822 /nfs/dbraw/zinc/34/78/22/365347822.db2.gz MMRXZCINIZXJDA-CYBMUJFWSA-N 0 3 267.417 2.302 10 0 CEAEHN CCC1(CNC(=O)N2CC[C@H](N(C)C)C2)CCCC1 ZINC000119935917 365348073 /nfs/dbraw/zinc/34/80/73/365348073.db2.gz MMRXZCINIZXJDA-ZDUSSCGKSA-N 0 3 267.417 2.302 10 0 CEAEHN C[C@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2cccs2)O1 ZINC000120387722 365416746 /nfs/dbraw/zinc/41/67/46/365416746.db2.gz HSGHEKCPMIYHTA-GXTWGEPZSA-N 0 3 296.436 2.206 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000120325825 365408110 /nfs/dbraw/zinc/40/81/10/365408110.db2.gz RBZGSZGXXMRWGJ-BFJAYTPKSA-N 0 3 287.407 2.215 10 0 CEAEHN CCC[C@H](C(=O)NCc1cccc(COC)c1)N(C)C ZINC000161599816 367100342 /nfs/dbraw/zinc/10/03/42/367100342.db2.gz FSEGEWMHNWXICZ-OAHLLOKOSA-N 0 3 278.396 2.180 10 0 CEAEHN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000245527658 370833516 /nfs/dbraw/zinc/83/35/16/370833516.db2.gz QDMAHKFJIPNBET-IJLUTSLNSA-N 0 3 282.409 2.035 10 0 CEAEHN COc1cccc(CN2CCN3CCCC[C@H]3C2)c1OC ZINC000245554120 370839836 /nfs/dbraw/zinc/83/98/36/370839836.db2.gz GPAFWNXWCNOZHM-HNNXBMFYSA-N 0 3 290.407 2.374 10 0 CEAEHN Cc1ccc([C@H](C)CNC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000162257963 367147214 /nfs/dbraw/zinc/14/72/14/367147214.db2.gz IADCUKUPNYZPNS-GDBMZVCRSA-N 0 3 289.423 2.444 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@@H]1C=CCC1 ZINC000245436570 370820172 /nfs/dbraw/zinc/82/01/72/370820172.db2.gz VGEOWEXKVYXSAI-ZIAGYGMSSA-N 0 3 250.386 2.285 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1cccnc1 ZINC000245459988 370824188 /nfs/dbraw/zinc/82/41/88/370824188.db2.gz DXFLCXKNSJQLDW-UKRRQHHQSA-N 0 3 290.411 2.268 10 0 CEAEHN CCC[C@@H](C(=O)N1CCN2CCC[C@H]2C1)C(C)C ZINC000245655113 370854454 /nfs/dbraw/zinc/85/44/54/370854454.db2.gz FTUACKAKEYWLTR-UONOGXRCSA-N 0 3 252.402 2.365 10 0 CEAEHN COc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1F ZINC000245579451 370844591 /nfs/dbraw/zinc/84/45/91/370844591.db2.gz HTVGQOXPYLCPRF-RYUDHWBXSA-N 0 3 292.354 2.143 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000162964124 367207316 /nfs/dbraw/zinc/20/73/16/367207316.db2.gz GASOVHHPDGIVRS-INIZCTEOSA-N 0 3 298.471 2.113 10 0 CEAEHN C[C@@H]1C[C@@H](CNCc2cn(C(C)(C)C)nn2)C[C@H](C)O1 ZINC000341462496 367343481 /nfs/dbraw/zinc/34/34/81/367343481.db2.gz OQSIBUOEFOTTJG-CLLJXQQHSA-N 0 3 280.416 2.326 10 0 CEAEHN COc1c(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000341478060 367350948 /nfs/dbraw/zinc/35/09/48/367350948.db2.gz ZOUYYHZLRKKKFA-PTEHBNRSSA-N 0 3 281.400 2.030 10 0 CEAEHN CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171078541 367473683 /nfs/dbraw/zinc/47/36/83/367473683.db2.gz OJNUUEVUGVZHSB-GFCCVEGCSA-N 0 3 295.358 2.392 10 0 CEAEHN CC(C)Oc1cccc(CC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000170854851 367431207 /nfs/dbraw/zinc/43/12/07/367431207.db2.gz WFWBMXSKSGJNEX-OAHLLOKOSA-N 0 3 290.407 2.179 10 0 CEAEHN Cc1ccccc1C(C)(C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170864235 367435018 /nfs/dbraw/zinc/43/50/18/367435018.db2.gz XMZKHFCRLFAEHL-AWEZNQCLSA-N 0 3 274.408 2.435 10 0 CEAEHN CN(Cc1cnc2ccccn12)C[C@@H]1CCc2nccn2C1 ZINC000681914411 541608359 /nfs/dbraw/zinc/60/83/59/541608359.db2.gz FOANSENEVYJKIA-AWEZNQCLSA-N 0 3 295.390 2.225 10 0 CEAEHN CS[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000172542509 367772689 /nfs/dbraw/zinc/77/26/89/367772689.db2.gz BDDDVMMVHSWZGW-HUUCEWRRSA-N 0 3 290.432 2.397 10 0 CEAEHN CCc1onc(C)c1NC(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000245738639 370866884 /nfs/dbraw/zinc/86/68/84/370866884.db2.gz FYJOHMOXGNONRN-PWSUYJOCSA-N 0 3 292.383 2.246 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)cc2C)CCN1C[C@H](C)O ZINC000245767241 370871125 /nfs/dbraw/zinc/87/11/25/370871125.db2.gz QZMDWDSGGPTNBD-WMLDXEAASA-N 0 3 294.414 2.411 10 0 CEAEHN CC[C@@H]1CN(Cc2cccs2)CCN1C[C@H](C)O ZINC000245789624 370874419 /nfs/dbraw/zinc/87/44/19/370874419.db2.gz VXQRFPHWPVAYGI-QWHCGFSZSA-N 0 3 268.426 2.025 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000174073467 367978978 /nfs/dbraw/zinc/97/89/78/367978978.db2.gz QGWFZGPEFFVNQW-KRWDZBQOSA-N 0 3 276.424 2.192 10 0 CEAEHN CCC1CCC(NC(=O)NCCN(C)CCCOC)CC1 ZINC000175439523 368138447 /nfs/dbraw/zinc/13/84/47/368138447.db2.gz OVOANKTWOSNOIK-UHFFFAOYSA-N 0 3 299.459 2.223 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(CCCOCc2ccccc2)C1 ZINC000182246166 368540996 /nfs/dbraw/zinc/54/09/96/368540996.db2.gz WZEWINFDEOYNDP-QGZVFWFLSA-N 0 3 290.407 2.194 10 0 CEAEHN CCc1nnc(CN[C@H](C)C2CCCCC2)n1C ZINC000182693188 368581537 /nfs/dbraw/zinc/58/15/37/368581537.db2.gz INCQCXYCPCMVGW-LLVKDONJSA-N 0 3 250.390 2.436 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245999865 370898649 /nfs/dbraw/zinc/89/86/49/370898649.db2.gz CYEMSWYASTYWFO-FRRDWIJNSA-N 0 3 294.345 2.231 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)[C@@H]1C ZINC000246020227 370900143 /nfs/dbraw/zinc/90/01/43/370900143.db2.gz OMZLWICSKRVVHU-SYQHCUMBSA-N 0 3 267.417 2.157 10 0 CEAEHN CCC[C@@H](NCc1cn[nH]c1C)C(=O)OC(C)(C)C ZINC000185068542 368743135 /nfs/dbraw/zinc/74/31/35/368743135.db2.gz RZQQAZYGLIBYGK-GFCCVEGCSA-N 0 3 267.373 2.318 10 0 CEAEHN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@H](N(C)C)C1 ZINC000184949672 368730152 /nfs/dbraw/zinc/73/01/52/368730152.db2.gz AKZPBJKNMXSXKB-ILXRZTDVSA-N 0 3 282.428 2.134 10 0 CEAEHN COc1ccsc1[C@H](C)NC[C@@H](C)N1CCOCC1 ZINC000186096450 368919281 /nfs/dbraw/zinc/91/92/81/368919281.db2.gz CLUKGNZOISILAQ-NEPJUHHUSA-N 0 3 284.425 2.128 10 0 CEAEHN Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)co1 ZINC000188365026 369344396 /nfs/dbraw/zinc/34/43/96/369344396.db2.gz MCHMNFOHARJTSW-GWCFXTLKSA-N 0 3 250.342 2.047 10 0 CEAEHN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2CCCN2C)c1 ZINC000246403789 370956830 /nfs/dbraw/zinc/95/68/30/370956830.db2.gz YCSGWQRORVHHRP-BPUTZDHNSA-N 0 3 288.391 2.009 10 0 CEAEHN COCCO[C@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000189674953 369556704 /nfs/dbraw/zinc/55/67/04/369556704.db2.gz JXZRXPVUMQDZPE-INIZCTEOSA-N 0 3 286.375 2.472 10 0 CEAEHN Cc1nc(CC(C)C)oc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000190312464 369613172 /nfs/dbraw/zinc/61/31/72/369613172.db2.gz GBBKTGNODDOKIX-ZDUSSCGKSA-N 0 3 291.395 2.102 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([O-])c1 ZINC000191650674 369731396 /nfs/dbraw/zinc/73/13/96/369731396.db2.gz UEKRHEIKYFQXJD-JSGCOSHPSA-N 0 3 288.391 2.263 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c([O-])c1 ZINC000191650674 369731400 /nfs/dbraw/zinc/73/14/00/369731400.db2.gz UEKRHEIKYFQXJD-JSGCOSHPSA-N 0 3 288.391 2.263 10 0 CEAEHN CCn1c(C)nnc1CN1CCN(CCC(C)(C)C)CC1 ZINC000195101905 370104842 /nfs/dbraw/zinc/10/48/42/370104842.db2.gz FNAOJDQQKYVMNH-UHFFFAOYSA-N 0 3 293.459 2.160 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)c2ccco2)C1 ZINC000195154155 370109101 /nfs/dbraw/zinc/10/91/01/370109101.db2.gz LTECOUAANQNDMH-STQMWFEESA-N 0 3 279.384 2.466 10 0 CEAEHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000223176894 370261572 /nfs/dbraw/zinc/26/15/72/370261572.db2.gz YDLPRPJVKXGGTA-SUHUHFCYSA-N 0 3 282.409 2.173 10 0 CEAEHN Cc1cc(Cl)ccc1CNC[C@@H]1CN(C)CCO1 ZINC000231747035 370491890 /nfs/dbraw/zinc/49/18/90/370491890.db2.gz QOFHJRHXRIVCJM-CQSZACIVSA-N 0 3 268.788 2.069 10 0 CEAEHN COCCOC[C@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000234905494 370548530 /nfs/dbraw/zinc/54/85/30/370548530.db2.gz JFKQYEAEMSBVQT-VHSXEESVSA-N 0 3 293.816 2.076 10 0 CEAEHN CS[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246905855 371028664 /nfs/dbraw/zinc/02/86/64/371028664.db2.gz APLLSKSKXUJPRN-YNEHKIRRSA-N 0 3 285.457 2.006 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)cc2F)CCN1C[C@H](C)O ZINC000247090532 371063121 /nfs/dbraw/zinc/06/31/21/371063121.db2.gz YJSOALOAWHJGKU-WFASDCNBSA-N 0 3 298.377 2.242 10 0 CEAEHN CC[C@@H](C(=O)OC)N1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000247455900 371110465 /nfs/dbraw/zinc/11/04/65/371110465.db2.gz ZWSOMUCAZAZOAG-KBPBESRZSA-N 0 3 291.395 2.075 10 0 CEAEHN Cc1cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c(C)s1 ZINC000247540923 371122446 /nfs/dbraw/zinc/12/24/46/371122446.db2.gz CZEQPXLWNWBEEX-NEPJUHHUSA-N 0 3 282.453 2.252 10 0 CEAEHN COc1c(C)cnc(CN2CCN3CCCC[C@H]3C2)c1C ZINC000248371800 371182293 /nfs/dbraw/zinc/18/22/93/371182293.db2.gz ZBXICFJPSPXFEN-HNNXBMFYSA-N 0 3 289.423 2.377 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000249748648 371358970 /nfs/dbraw/zinc/35/89/70/371358970.db2.gz BCJANSRFFQMSGO-OLZOCXBDSA-N 0 3 279.384 2.433 10 0 CEAEHN CCCCS[C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000249832700 371365561 /nfs/dbraw/zinc/36/55/61/371365561.db2.gz PSCSVXDGGUSCKG-OLZOCXBDSA-N 0 3 270.442 2.215 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCc1cscn1 ZINC000251575651 371407489 /nfs/dbraw/zinc/40/74/89/371407489.db2.gz CELKJNYRYSLZAN-JSGCOSHPSA-N 0 3 265.426 2.244 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@@H]2CCC[C@H]2O)c1C ZINC000250459069 371384832 /nfs/dbraw/zinc/38/48/32/371384832.db2.gz URQGLMICIBYECF-LEWSCRJBSA-N 0 3 265.401 2.331 10 0 CEAEHN COc1cccc([C@H](C)N2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000252652228 371462271 /nfs/dbraw/zinc/46/22/71/371462271.db2.gz IWZWRPRCVFVAOB-ILXRZTDVSA-N 0 3 292.423 2.143 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1nnsc1Cl ZINC000252661623 371463362 /nfs/dbraw/zinc/46/33/62/371463362.db2.gz NETDVKBSWXVLAA-UWVGGRQHSA-N 0 3 286.832 2.250 10 0 CEAEHN Clc1cnc(NC[C@H]2NCCc3ccccc32)nc1 ZINC000261587102 371664739 /nfs/dbraw/zinc/66/47/39/371664739.db2.gz JFSJEGGMCDEBRK-CYBMUJFWSA-N 0 3 274.755 2.429 10 0 CEAEHN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261875713 371758534 /nfs/dbraw/zinc/75/85/34/371758534.db2.gz UDYVNORPVHTQPB-KFWWJZLASA-N 0 3 282.428 2.071 10 0 CEAEHN CCC(CC)(CC)CNC(=O)[C@H](N)C1CCOCC1 ZINC000262084442 371822041 /nfs/dbraw/zinc/82/20/41/371822041.db2.gz TZWAKONTZJGWKJ-CYBMUJFWSA-N 0 3 270.417 2.073 10 0 CEAEHN C[C@@H](NCCn1cncn1)c1cnc2ccsc2c1 ZINC000268794949 372225902 /nfs/dbraw/zinc/22/59/02/372225902.db2.gz DIESLZFGBCSNSB-SNVBAGLBSA-N 0 3 273.365 2.239 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc3ncsc3c2)CCCN1 ZINC000643645756 373229738 /nfs/dbraw/zinc/22/97/38/373229738.db2.gz FGURLEVVJKYDCZ-AWEZNQCLSA-N 0 3 291.376 2.003 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@H](OC)c1ccccc1F ZINC000262175925 190050162 /nfs/dbraw/zinc/05/01/62/190050162.db2.gz YKBPZCBVNUMASI-JLUCKKNBSA-N 0 3 296.386 2.391 10 0 CEAEHN C[C@H]1[C@@H](N2CCCNC2=O)CCN1Cc1ccccc1 ZINC000306716665 376553146 /nfs/dbraw/zinc/55/31/46/376553146.db2.gz BRZFYBHZSWVLAT-ZFWWWQNUSA-N 0 3 273.380 2.065 10 0 CEAEHN O[C@]12CCCC[C@@H]1CN(CCn1cc(Cl)cn1)CC2 ZINC000312899412 376732716 /nfs/dbraw/zinc/73/27/16/376732716.db2.gz LDNYFQDYLJCUMS-OCCSQVGLSA-N 0 3 283.803 2.164 10 0 CEAEHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([O-])ccc2F)C1 ZINC000296568515 378578762 /nfs/dbraw/zinc/57/87/62/378578762.db2.gz QGRQKRMVJRIBFT-XHDPSFHLSA-N 0 3 292.354 2.088 10 0 CEAEHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([O-])ccc2F)C1 ZINC000296568515 378578765 /nfs/dbraw/zinc/57/87/65/378578765.db2.gz QGRQKRMVJRIBFT-XHDPSFHLSA-N 0 3 292.354 2.088 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1c(C)noc1C ZINC000177001634 542242985 /nfs/dbraw/zinc/24/29/85/542242985.db2.gz ODMVVJWMYORQIQ-FZMZJTMJSA-N 0 3 293.411 2.338 10 0 CEAEHN C[C@@H](NCC(=O)NCCC1CCCCC1)[C@@H]1CCCO1 ZINC000183125671 542287685 /nfs/dbraw/zinc/28/76/85/542287685.db2.gz LGTLFNKFBLLOEF-HIFRSBDPSA-N 0 3 282.428 2.230 10 0 CEAEHN C[C@H](NCC(=O)N(C)CC1CCCCC1)[C@@H]1CCCO1 ZINC000183109705 542287779 /nfs/dbraw/zinc/28/77/79/542287779.db2.gz PDQLTLPHUDSPMI-ZFWWWQNUSA-N 0 3 282.428 2.182 10 0 CEAEHN CCc1nnc(CN2C[C@H]3CCCN3C[C@H]2CC)s1 ZINC000392153280 542375523 /nfs/dbraw/zinc/37/55/23/542375523.db2.gz ZREHTNMDDYJUGH-VXGBXAGGSA-N 0 3 280.441 2.159 10 0 CEAEHN COC(=O)c1coc(CNCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000281286478 195181346 /nfs/dbraw/zinc/18/13/46/195181346.db2.gz OTCFPOBJPXHYSS-QWRGUYRKSA-N 0 3 281.352 2.359 10 0 CEAEHN CCCN[C@H]1CCC[C@@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000081923216 177896543 /nfs/dbraw/zinc/89/65/43/177896543.db2.gz CJEDJBBREGOBKU-GJZGRUSLSA-N 0 3 297.420 2.390 10 0 CEAEHN CN[C@@H](CSCCS(C)(=O)=O)c1ccc(C)cc1 ZINC000081768859 177855877 /nfs/dbraw/zinc/85/58/77/177855877.db2.gz PYMLYVARHLTKMF-ZDUSSCGKSA-N 0 3 287.450 2.033 10 0 CEAEHN CN1CC[C@](O)(c2ccccc2CO)[C@@H](c2ccccc2)C1 ZINC000248090059 256691478 /nfs/dbraw/zinc/69/14/78/256691478.db2.gz VEFVMTWOCWGCAI-MOPGFXCFSA-N 0 3 297.398 2.486 10 0 CEAEHN CC[C@H](C)NC(=O)CCNC1=N[C@](C)(CC)CS1 ZINC000080884174 177722520 /nfs/dbraw/zinc/72/25/20/177722520.db2.gz VHMJGHHSPRRFCO-GXFFZTMASA-N 0 3 271.430 2.152 10 0 CEAEHN NC(=O)[C@@]1(NC2CC2)CC[C@@H](OCC2CCCCC2)C1 ZINC000093847297 184731873 /nfs/dbraw/zinc/73/18/73/184731873.db2.gz WSQYRUHKOCXCJW-GDBMZVCRSA-N 0 3 280.412 2.112 10 0 CEAEHN CCN[C@@H](c1ccc(OC)cc1)[C@H]1CN(C(C)C)CCO1 ZINC000093927946 184744737 /nfs/dbraw/zinc/74/47/37/184744737.db2.gz XBHTUNRBMKKPDN-SJORKVTESA-N 0 3 292.423 2.455 10 0 CEAEHN CC(C)CNCc1ccn([C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000094414787 184794871 /nfs/dbraw/zinc/79/48/71/184794871.db2.gz QKRZONJEGCGHLY-JKSUJKDBSA-N 0 3 293.411 2.139 10 0 CEAEHN O[C@H]1CCCC[C@H]1N1CCN(CC2CCCCC2)CC1 ZINC000305444957 285363416 /nfs/dbraw/zinc/36/34/16/285363416.db2.gz OTHYPRFQFWMERJ-SJORKVTESA-N 0 3 280.456 2.488 10 0 CEAEHN C(CN1CCN2CCCC[C@H]2C1)OCC1CCCC1 ZINC000313704696 533360818 /nfs/dbraw/zinc/36/08/18/533360818.db2.gz OJLOJOOEEWSFFF-INIZCTEOSA-N 0 3 266.429 2.363 10 0 CEAEHN C[C@H]1CNCCN1c1ccc(Br)c(F)c1 ZINC000083536297 135027108 /nfs/dbraw/zinc/02/71/08/135027108.db2.gz ZAMGPERUIDEXRH-QMMMGPOBSA-N 0 3 273.149 2.386 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1c1c(F)cc(F)cc1F ZINC000088724123 135056452 /nfs/dbraw/zinc/05/64/52/135056452.db2.gz SSRQWEHHRXCROL-GFCCVEGCSA-N 0 3 284.281 2.351 10 0 CEAEHN C[C@@H]1CC[C@@H](C)N(c2ccc(CNC3CC3)nn2)C1 ZINC000088710958 135056560 /nfs/dbraw/zinc/05/65/60/135056560.db2.gz IFJZAKXCVQDDEL-VXGBXAGGSA-N 0 3 260.385 2.353 10 0 CEAEHN CCCNCCS(=O)(=O)N1C[C@H](C)Cc2ccccc21 ZINC000089036067 135057681 /nfs/dbraw/zinc/05/76/81/135057681.db2.gz WJXFQNHADHECNG-CYBMUJFWSA-N 0 3 296.436 2.015 10 0 CEAEHN NCc1c(Cl)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905336 135065936 /nfs/dbraw/zinc/06/59/36/135065936.db2.gz MHSTXNXOAVECTP-AOOOYVTPSA-N 0 3 252.745 2.166 10 0 CEAEHN CN(C)[C@@H]1CCCN(c2c(F)cc(C=O)cc2F)C1 ZINC000091392083 135068214 /nfs/dbraw/zinc/06/82/14/135068214.db2.gz OZJUCRKSDRTMGZ-LLVKDONJSA-N 0 3 268.307 2.308 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1cncc(CNC(C)(C)C)n1 ZINC000091420724 135069485 /nfs/dbraw/zinc/06/94/85/135069485.db2.gz TYQNVQJJWSCUMT-JSGCOSHPSA-N 0 3 292.427 2.368 10 0 CEAEHN COC(=O)[C@H](C)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000093036296 135078364 /nfs/dbraw/zinc/07/83/64/135078364.db2.gz ZUVUDXBQJWMYOM-OLZOCXBDSA-N 0 3 294.370 2.145 10 0 CEAEHN COC(=O)[C@H](C)[C@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000093036261 135078447 /nfs/dbraw/zinc/07/84/47/135078447.db2.gz LDMKKGXILAFFBU-CABCVRRESA-N 0 3 290.407 2.315 10 0 CEAEHN Nc1ccc(N2CCN3CCCC[C@@H]3C2)c2ccncc12 ZINC000094439052 135087873 /nfs/dbraw/zinc/08/78/73/135087873.db2.gz HFALUBUOOCZQHV-CYBMUJFWSA-N 0 3 282.391 2.492 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2cccc(F)c2)C1 ZINC000052593280 394558269 /nfs/dbraw/zinc/55/82/69/394558269.db2.gz CSZQICIHBDYQBX-OAHLLOKOSA-N 0 3 293.386 2.451 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2cccc3c2CCCN3)C1 ZINC000061412287 394568155 /nfs/dbraw/zinc/56/81/55/394568155.db2.gz MFPLGSQPPIUXRW-CYBMUJFWSA-N 0 3 287.407 2.259 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(F)c2)C1 ZINC000048769241 394528667 /nfs/dbraw/zinc/52/86/67/394528667.db2.gz OMKNDBFZHZOYKK-CYBMUJFWSA-N 0 3 265.332 2.432 10 0 CEAEHN Cc1cnc(CNC(=O)N[C@H](CC(C)C)CN(C)C)s1 ZINC000073722494 394605087 /nfs/dbraw/zinc/60/50/87/394605087.db2.gz OWGIVLDRSIPEMZ-GFCCVEGCSA-N 0 3 298.456 2.227 10 0 CEAEHN CC[C@](C)(O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000123598211 394828633 /nfs/dbraw/zinc/82/86/33/394828633.db2.gz PRKSYVPTLYIMCB-GPANFISMSA-N 0 3 268.445 2.344 10 0 CEAEHN Cc1cc([C@H](C)N[C@H]2CCC(=O)N[C@H]2C)c(C)o1 ZINC000282485839 394920316 /nfs/dbraw/zinc/92/03/16/394920316.db2.gz XEPZQZRVTOTSFB-KWBADKCTSA-N 0 3 250.342 2.214 10 0 CEAEHN Fc1ccc(CCN2CCC[C@@H](n3cncn3)C2)cc1F ZINC000152061626 394984859 /nfs/dbraw/zinc/98/48/59/394984859.db2.gz KZLBUIRMOAVZNF-CYBMUJFWSA-N 0 3 292.333 2.436 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC000155339798 395027651 /nfs/dbraw/zinc/02/76/51/395027651.db2.gz KREOJHJMJUERJY-RDBSUJKOSA-N 0 3 250.386 2.188 10 0 CEAEHN CCOC(=O)CCCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152295408 394992561 /nfs/dbraw/zinc/99/25/61/394992561.db2.gz SMTSJVHBMKAKTR-OAHLLOKOSA-N 0 3 292.379 2.268 10 0 CEAEHN Cc1nccn1CCCCN1[C@H](C)COC[C@@H]1C ZINC000162014155 395069510 /nfs/dbraw/zinc/06/95/10/395069510.db2.gz KYGSDIHMBUEUIG-BETUJISGSA-N 0 3 251.374 2.081 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)C1 ZINC000175980279 395136043 /nfs/dbraw/zinc/13/60/43/395136043.db2.gz XHSIMQQVCMTRHS-SZVBFZGTSA-N 0 3 298.430 2.443 10 0 CEAEHN Cc1noc(C)c1[C@H](C)CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000179247466 395187380 /nfs/dbraw/zinc/18/73/80/395187380.db2.gz JILOEZTWGXGTFQ-BXUZGUMPSA-N 0 3 291.395 2.092 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@H]1CCCc3occc31)CC2 ZINC000192984185 395398161 /nfs/dbraw/zinc/39/81/61/395398161.db2.gz XXHNPZDHIBNGPH-YPMHNXCESA-N 0 3 286.379 2.416 10 0 CEAEHN CCC1CCC(NC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000195131281 395459886 /nfs/dbraw/zinc/45/98/86/395459886.db2.gz IGCKNSFTXFYNNL-RUXDESIVSA-N 0 3 267.417 2.349 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1ccc(OC)c(O)c1 ZINC000195182807 395461477 /nfs/dbraw/zinc/46/14/77/395461477.db2.gz IVKZRLLDRIPRSP-AWEZNQCLSA-N 0 3 297.395 2.010 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccccc2OC)C1 ZINC000048768880 400210787 /nfs/dbraw/zinc/21/07/87/400210787.db2.gz LMAJYWXMAMHUTH-LBPRGKRZSA-N 0 3 277.368 2.301 10 0 CEAEHN O[C@@H]1CCC[C@H](CN2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000385294391 400521833 /nfs/dbraw/zinc/52/18/33/400521833.db2.gz QFMLICMZYWCZHM-LJISPDSOSA-N 0 3 253.386 2.181 10 0 CEAEHN Cc1cnc(CCN(C)C[C@@H](O)COC(C)(C)C)s1 ZINC000157833992 289222873 /nfs/dbraw/zinc/22/28/73/289222873.db2.gz XICUTVSOIKTZMR-GFCCVEGCSA-N 0 3 286.441 2.102 10 0 CEAEHN Fc1ccc(Cl)c(CN2CC[C@@H]3OCCN[C@@H]3C2)c1 ZINC000404280000 289291847 /nfs/dbraw/zinc/29/18/47/289291847.db2.gz VBPWEHKDRAGOEC-KGLIPLIRSA-N 0 3 284.762 2.042 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000193127929 153227668 /nfs/dbraw/zinc/22/76/68/153227668.db2.gz JWLMNVYZNXFRKH-ZNMIVQPWSA-N 0 3 284.444 2.475 10 0 CEAEHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)c2ccccc2n1 ZINC000195316670 153281684 /nfs/dbraw/zinc/28/16/84/153281684.db2.gz SRJRDBYCJHEWNZ-CQSZACIVSA-N 0 3 295.386 2.463 10 0 CEAEHN Cc1cc2ccccc2n1CC(=O)N1CCN2CCC[C@H]2C1 ZINC000195320826 153281748 /nfs/dbraw/zinc/28/17/48/153281748.db2.gz PCLKWHCKLBMFGL-INIZCTEOSA-N 0 3 297.402 2.256 10 0 CEAEHN CC(C)(C)CCCCNC(=O)[C@@H](N)C1CCOCC1 ZINC000261745448 153823973 /nfs/dbraw/zinc/82/39/73/153823973.db2.gz KVZRUCZQMBWXMU-ZDUSSCGKSA-N 0 3 270.417 2.073 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262496504 153956353 /nfs/dbraw/zinc/95/63/53/153956353.db2.gz ZSEHGLNCRFYKAP-XHSDSOJGSA-N 0 3 290.407 2.459 10 0 CEAEHN CSc1ccccc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263299935 154050640 /nfs/dbraw/zinc/05/06/40/154050640.db2.gz WYANJQFTFNMXLZ-NSHDSACASA-N 0 3 290.392 2.035 10 0 CEAEHN CC[C@H]([NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263474117 154096990 /nfs/dbraw/zinc/09/69/90/154096990.db2.gz DZCXRAPXFLFWOK-GPANFISMSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[C@H](NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263474117 154096998 /nfs/dbraw/zinc/09/69/98/154096998.db2.gz DZCXRAPXFLFWOK-GPANFISMSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[C@H](NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263474117 154097004 /nfs/dbraw/zinc/09/70/04/154097004.db2.gz DZCXRAPXFLFWOK-GPANFISMSA-N 0 3 294.439 2.482 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)CCC(C)C)C1 ZINC000263513818 154113212 /nfs/dbraw/zinc/11/32/12/154113212.db2.gz OBUQMKAZIBBAJL-HSBZDZAISA-N 0 3 270.417 2.338 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCC(C)C)C1 ZINC000263513818 154113216 /nfs/dbraw/zinc/11/32/16/154113216.db2.gz OBUQMKAZIBBAJL-HSBZDZAISA-N 0 3 270.417 2.338 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCC(C)C)C1 ZINC000263513818 154113222 /nfs/dbraw/zinc/11/32/22/154113222.db2.gz OBUQMKAZIBBAJL-HSBZDZAISA-N 0 3 270.417 2.338 10 0 CEAEHN [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1 ZINC000166458500 162350269 /nfs/dbraw/zinc/35/02/69/162350269.db2.gz VJWOAMARTWSHKQ-VXNVDRBHSA-N 0 3 288.269 2.477 10 0 CEAEHN Cc1csc([C@@H](C)NC(=O)N2CCN3CCC[C@@H]3C2)n1 ZINC000171906941 165055645 /nfs/dbraw/zinc/05/56/45/165055645.db2.gz MREXONKPCDSSCB-VXGBXAGGSA-N 0 3 294.424 2.002 10 0 CEAEHN c1ccc2oc(CN3CCN4CCCC[C@@H]4C3)nc2c1 ZINC000177774444 165205349 /nfs/dbraw/zinc/20/53/49/165205349.db2.gz KQOPKHULFGKWHO-CYBMUJFWSA-N 0 3 271.364 2.498 10 0 CEAEHN CCc1cc(C(=O)N2CCN3CCC[C@@H]3C2)oc1CC ZINC000178577057 165248257 /nfs/dbraw/zinc/24/82/57/165248257.db2.gz OJHXDCNVFUEMKS-CYBMUJFWSA-N 0 3 276.380 2.325 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC[C@@H]1CCCCO1 ZINC000181795972 165355672 /nfs/dbraw/zinc/35/56/72/165355672.db2.gz UPGVQOZYHZRURQ-GJZGRUSLSA-N 0 3 297.443 2.071 10 0 CEAEHN CC[C@@H]1CN(C(=O)N[C@H](CC(C)C)CN(C)C)C[C@H](C)O1 ZINC000247376173 287147122 /nfs/dbraw/zinc/14/71/22/287147122.db2.gz FSPGLLITJPEWEN-RRFJBIMHSA-N 0 3 299.459 2.172 10 0 CEAEHN C[C@@H](NCc1cnc(C(C)(C)C)nc1)[C@@H]1CCCO1 ZINC000284299066 196025079 /nfs/dbraw/zinc/02/50/79/196025079.db2.gz IQCOQXOFSAXZDS-YPMHNXCESA-N 0 3 263.385 2.431 10 0 CEAEHN N[C@H](c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(F)c1 ZINC000019842869 170891082 /nfs/dbraw/zinc/89/10/82/170891082.db2.gz BFUIWBWRXIAVHU-ZDUSSCGKSA-N 0 3 275.258 2.183 10 0 CEAEHN CN(C)C[C@H](NCc1cccnc1)c1ccccc1 ZINC000020129279 171016949 /nfs/dbraw/zinc/01/69/49/171016949.db2.gz SBMKEJOFRVZKCI-INIZCTEOSA-N 0 3 255.365 2.474 10 0 CEAEHN CC(=O)NCCN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000020148871 171037129 /nfs/dbraw/zinc/03/71/29/171037129.db2.gz ULEDPZWKCCXFHR-VIFPVBQESA-N 0 3 274.286 2.492 10 0 CEAEHN CC(=O)NCCN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000020185193 171047881 /nfs/dbraw/zinc/04/78/81/171047881.db2.gz AXHJSEUNVHWOEZ-GFCCVEGCSA-N 0 3 260.381 2.352 10 0 CEAEHN COc1ccc(OC)c([C@H](CN)N(C)CC2CC2)c1 ZINC000020226465 171092116 /nfs/dbraw/zinc/09/21/16/171092116.db2.gz ZIBKGIVNURRVKX-AWEZNQCLSA-N 0 3 264.369 2.045 10 0 CEAEHN N[C@H](CN1CCOC1=O)c1cccc(C(F)(F)F)c1 ZINC000020262282 171119993 /nfs/dbraw/zinc/11/99/93/171119993.db2.gz QFFWROQOEDGEFT-SNVBAGLBSA-N 0 3 274.242 2.157 10 0 CEAEHN COc1ccc(CCN[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020315021 171145558 /nfs/dbraw/zinc/14/55/58/171145558.db2.gz BLDJXGRMSUUEJF-LBPRGKRZSA-N 0 3 278.396 2.131 10 0 CEAEHN Cn1cc([C@@H](N)c2ccccc2C(F)(F)F)cn1 ZINC000020476848 171221370 /nfs/dbraw/zinc/22/13/70/171221370.db2.gz HCACEGKCFCBEOV-LLVKDONJSA-N 0 3 255.243 2.487 10 0 CEAEHN CSc1ccc([C@@H](CN)N2CCO[C@@H](C)C2)cc1 ZINC000020523747 171236359 /nfs/dbraw/zinc/23/63/59/171236359.db2.gz LYGUXTVMRVSWBQ-SMDDNHRTSA-N 0 3 266.410 2.129 10 0 CEAEHN CSc1ccc([C@@H](CN)N2CCSCC2)cc1 ZINC000020523757 171236765 /nfs/dbraw/zinc/23/67/65/171236765.db2.gz DCKHNEDFDWNLPB-CYBMUJFWSA-N 0 3 268.451 2.457 10 0 CEAEHN CCC[C@H](C)NS(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000021814399 171331779 /nfs/dbraw/zinc/33/17/79/171331779.db2.gz KQOSHKJQDKOKIX-WDEREUQCSA-N 0 3 270.398 2.173 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccccc2Cl)C[C@@H](C)O1 ZINC000022169969 171367775 /nfs/dbraw/zinc/36/77/75/171367775.db2.gz NEXRPJBJQLTLSX-GYSYKLTISA-N 0 3 268.788 2.449 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1CN ZINC000022171560 171368353 /nfs/dbraw/zinc/36/83/53/171368353.db2.gz ULZMUNYPWKCQTH-YPMHNXCESA-N 0 3 282.409 2.002 10 0 CEAEHN N[C@H](Cn1cccnc1=O)c1ccc2ccccc2c1 ZINC000022564685 171391799 /nfs/dbraw/zinc/39/17/99/171391799.db2.gz FCSURFUDAYMSRC-OAHLLOKOSA-N 0 3 265.316 2.097 10 0 CEAEHN COc1ccc([C@@H](N)COCC(F)(F)F)cc1OC ZINC000022567055 171392565 /nfs/dbraw/zinc/39/25/65/171392565.db2.gz CVVLDENDHGATLB-VIFPVBQESA-N 0 3 279.258 2.283 10 0 CEAEHN CN[C@@H](c1c(OC)cc(OC)cc1OC)C1CC1 ZINC000035468908 172218680 /nfs/dbraw/zinc/21/86/80/172218680.db2.gz BGTGCLGQHPHHCF-CQSZACIVSA-N 0 3 251.326 2.383 10 0 CEAEHN CCNCc1c(C)nn(C)c1N(C)C[C@H](C)CC ZINC000037173756 173007954 /nfs/dbraw/zinc/00/79/54/173007954.db2.gz AVBCWAQXEUVUOM-LLVKDONJSA-N 0 3 252.406 2.320 10 0 CEAEHN CN(CCOc1ccccc1N)[C@@H]1CCSC1 ZINC000037174102 173008801 /nfs/dbraw/zinc/00/88/01/173008801.db2.gz DXEYHNXMOPFJLS-LLVKDONJSA-N 0 3 252.383 2.085 10 0 CEAEHN CC[C@H](C)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186494 173017059 /nfs/dbraw/zinc/01/70/59/173017059.db2.gz MRJZGFZYBCDSRD-CMPLNLGQSA-N 0 3 253.367 2.293 10 0 CEAEHN CCOC(=O)c1ccc(NC2CCN(C)CC2)cc1 ZINC000037307796 173110997 /nfs/dbraw/zinc/11/09/97/173110997.db2.gz MULCSLMUJHGWDR-UHFFFAOYSA-N 0 3 262.353 2.369 10 0 CEAEHN Cc1nc2sccn2c1CN[C@@H](C)Cn1ccnc1 ZINC000037320194 173119980 /nfs/dbraw/zinc/11/99/80/173119980.db2.gz QJCRHOFCDFNMSW-JTQLQIEISA-N 0 3 275.381 2.079 10 0 CEAEHN Cc1ncsc1[C@H](C)N[C@H](C)Cn1ccnc1 ZINC000037320429 173121133 /nfs/dbraw/zinc/12/11/33/173121133.db2.gz OVVABXQZEJGNEZ-KOLCDFICSA-N 0 3 250.371 2.387 10 0 CEAEHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CNC(C)C ZINC000037394747 173175086 /nfs/dbraw/zinc/17/50/86/173175086.db2.gz XOIVQGLXORIGKI-GFCCVEGCSA-N 0 3 291.395 2.151 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc3cc(Br)ccc3[nH]2)C1 ZINC000037441252 173211288 /nfs/dbraw/zinc/21/12/88/173211288.db2.gz OANIAVVLVXYVSE-KCJUWKMLSA-N 0 3 296.168 2.375 10 0 CEAEHN CC[C@](NC(C)C)(C(N)=O)c1cccc(Cl)c1 ZINC000037446538 173213664 /nfs/dbraw/zinc/21/36/64/173213664.db2.gz YCNJJIMUSKZAPQ-CYBMUJFWSA-N 0 3 254.761 2.429 10 0 CEAEHN CC[C@@H](C)N[C@@](CC)(C(N)=O)c1ccc(OC)cc1 ZINC000038065582 174077067 /nfs/dbraw/zinc/07/70/67/174077067.db2.gz POAVCPZZLSHWIU-IAQYHMDHSA-N 0 3 264.369 2.174 10 0 CEAEHN CSCC[C@H](N)C(=O)N1CCc2sccc2[C@@H]1C ZINC000040469129 174277739 /nfs/dbraw/zinc/27/77/39/174277739.db2.gz LNWUPCSZWIKSFS-ONGXEEELSA-N 0 3 284.450 2.274 10 0 CEAEHN C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2N1)N1CCCCC1 ZINC000040469005 174277768 /nfs/dbraw/zinc/27/77/68/174277768.db2.gz HHEYBIAMAOKYAA-BBRMVZONSA-N 0 3 287.407 2.014 10 0 CEAEHN COc1ccc([C@H](C)NC(=O)[C@H](N)CC(C)C)cc1OC ZINC000040491244 174292514 /nfs/dbraw/zinc/29/25/14/174292514.db2.gz DWENHOSOFFVQCX-WCQYABFASA-N 0 3 294.395 2.254 10 0 CEAEHN CCCCOCCN[C@H](C)C(=O)N[C@H](C)CCC ZINC000040507355 174303014 /nfs/dbraw/zinc/30/30/14/174303014.db2.gz IBSMDDQLCMEOMI-CHWSQXEVSA-N 0 3 258.406 2.086 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000040629905 174357648 /nfs/dbraw/zinc/35/76/48/174357648.db2.gz MRYBSHBHHUISQN-KCJUWKMLSA-N 0 3 288.269 2.021 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000040632977 174359300 /nfs/dbraw/zinc/35/93/00/174359300.db2.gz RKTAQBCJBVYQHT-RYUDHWBXSA-N 0 3 276.361 2.217 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000040632974 174359648 /nfs/dbraw/zinc/35/96/48/174359648.db2.gz RKTAQBCJBVYQHT-VXGBXAGGSA-N 0 3 276.361 2.217 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3ccc(C)cc3)c[nH]2)C1 ZINC000040637725 174361896 /nfs/dbraw/zinc/36/18/96/174361896.db2.gz MSJNPQVFESXZNU-OLZOCXBDSA-N 0 3 257.337 2.435 10 0 CEAEHN COc1ccccc1[C@H](C)NCCc1nccn1C ZINC000040638673 174363082 /nfs/dbraw/zinc/36/30/82/174363082.db2.gz LIFWYIMXKFCRDD-LBPRGKRZSA-N 0 3 259.353 2.322 10 0 CEAEHN C[C@@H]1CC(=O)N(C[C@H](N)c2ccc(C(C)(C)C)cc2)C1=O ZINC000040739859 174390488 /nfs/dbraw/zinc/39/04/88/174390488.db2.gz IZTPKJTZNUEVDS-RISCZKNCSA-N 0 3 288.391 2.379 10 0 CEAEHN Nc1ccc(F)cc1C(=O)NCCN1CCCCCC1 ZINC000040766949 174398513 /nfs/dbraw/zinc/39/85/13/174398513.db2.gz UPSNHOYQRVBVCS-UHFFFAOYSA-N 0 3 279.359 2.014 10 0 CEAEHN C[C@H](C(=O)NCC[C@@H]1CCCO1)[C@H](N)c1ccccc1 ZINC000130271290 414814539 /nfs/dbraw/zinc/81/45/39/414814539.db2.gz XRYWMEZXIKJNMO-QEJZJMRPSA-N 0 3 276.380 2.008 10 0 CEAEHN Cc1ccc(F)c(C(=O)N(C)[C@H](CN)C(F)(F)F)c1 ZINC000662978830 414816623 /nfs/dbraw/zinc/81/66/23/414816623.db2.gz IAKLQUUMPZXJEP-SNVBAGLBSA-N 0 3 278.249 2.096 10 0 CEAEHN Cc1cccc(C(=O)N(C)[C@H](CN)C(F)(F)F)c1F ZINC000662982026 414819298 /nfs/dbraw/zinc/81/92/98/414819298.db2.gz XBLRZCJWKHZYQL-SECBINFHSA-N 0 3 278.249 2.096 10 0 CEAEHN CC[C@@H]1C[C@@H](N[C@@H](CN(C)C)c2ccccc2)CO1 ZINC000657297311 414840050 /nfs/dbraw/zinc/84/00/50/414840050.db2.gz LKKPPXFHSSYXSZ-OAGGEKHMSA-N 0 3 262.397 2.446 10 0 CEAEHN C[C@H](CN1CCCC1)Nc1c(F)cc(N)cc1F ZINC000042598710 174815936 /nfs/dbraw/zinc/81/59/36/174815936.db2.gz NUOWXDKQXFOVHQ-SECBINFHSA-N 0 3 255.312 2.443 10 0 CEAEHN CN1C[C@@H](CNCc2ccc(Cl)cc2F)CC1=O ZINC000657696093 415050824 /nfs/dbraw/zinc/05/08/24/415050824.db2.gz RYUWDJXBUYYIAY-SECBINFHSA-N 0 3 270.735 2.047 10 0 CEAEHN C[C@]1(C2CC2)CN(C[C@H]2CCC[C@H](O)C2)CCO1 ZINC000661172002 415121939 /nfs/dbraw/zinc/12/19/39/415121939.db2.gz PVVRXRLLNZEBEE-AEGPPILISA-N 0 3 253.386 2.038 10 0 CEAEHN N[C@@H](c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299873 175000393 /nfs/dbraw/zinc/00/03/93/175000393.db2.gz KTBGJSFRLUGQEU-CABCVRRESA-N 0 3 275.373 2.274 10 0 CEAEHN N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043299971 175000847 /nfs/dbraw/zinc/00/08/47/175000847.db2.gz FNYSQJWVAPTLDK-WRWORJQWSA-N 0 3 294.203 2.428 10 0 CEAEHN CCCN[C@H](c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301213 175001915 /nfs/dbraw/zinc/00/19/15/175001915.db2.gz XNLPUWPBDOVTEC-TZMCWYRMSA-N 0 3 285.384 2.301 10 0 CEAEHN CCCN[C@H](c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000043301222 175001927 /nfs/dbraw/zinc/00/19/27/175001927.db2.gz YHHLZJAZOFEQEU-WFASDCNBSA-N 0 3 297.420 2.171 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N1CCOCC1(C)C ZINC000043335710 175011217 /nfs/dbraw/zinc/01/12/17/175011217.db2.gz SMIIOMCLRCZNCI-DGCLKSJQSA-N 0 3 252.358 2.169 10 0 CEAEHN CC[C@H](N)[C@H](c1ccco1)N1CCOCC1(C)C ZINC000043335709 175011546 /nfs/dbraw/zinc/01/15/46/175011546.db2.gz SMIIOMCLRCZNCI-WCQYABFASA-N 0 3 252.358 2.169 10 0 CEAEHN Cc1nc2ccccc2n1[C@H](CN)c1ccccn1 ZINC000043341348 175015287 /nfs/dbraw/zinc/01/52/87/175015287.db2.gz HNLWHFKRBPNWHQ-OAHLLOKOSA-N 0 3 252.321 2.288 10 0 CEAEHN COc1cc(C)ccc1O[C@@H](CN)c1ccncc1 ZINC000043355511 175022963 /nfs/dbraw/zinc/02/29/63/175022963.db2.gz UONJWBLJRUCACY-HNNXBMFYSA-N 0 3 258.321 2.477 10 0 CEAEHN CCC(CC)N(CCO)[C@@H](CN)c1ccc(C)o1 ZINC000043365182 175026268 /nfs/dbraw/zinc/02/62/68/175026268.db2.gz IAAAJZJVDXFJHK-ZDUSSCGKSA-N 0 3 254.374 2.071 10 0 CEAEHN O=S1(=O)CC[C@@H](CNCc2ccc(Cl)c(F)c2)C1 ZINC000043389928 175033465 /nfs/dbraw/zinc/03/34/65/175033465.db2.gz MYLHUCUVESLEEQ-JTQLQIEISA-N 0 3 291.775 2.003 10 0 CEAEHN CCN1CCN(C[C@@H](NC)c2cc3ccccc3o2)CC1 ZINC000043805911 175108722 /nfs/dbraw/zinc/10/87/22/175108722.db2.gz FOPCGRDBXOVTBB-OAHLLOKOSA-N 0 3 287.407 2.331 10 0 CEAEHN CN[C@@H](CN1CCOCC1)c1ccc(OC(C)C)cc1 ZINC000043808091 175108931 /nfs/dbraw/zinc/10/89/31/175108931.db2.gz CTTDAOVBVFXRCB-INIZCTEOSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N1CCC[C@@H](C)C1 ZINC000043811765 175111258 /nfs/dbraw/zinc/11/12/58/175111258.db2.gz NFETYESEKORPOZ-XPKDYRNWSA-N 0 3 260.381 2.440 10 0 CEAEHN CCN(C)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043820088 175113797 /nfs/dbraw/zinc/11/37/97/175113797.db2.gz OOBAMPZBSLLBKD-CYBMUJFWSA-N 0 3 264.369 2.060 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N(CCOC)C1CC1 ZINC000043970018 175131228 /nfs/dbraw/zinc/13/12/28/175131228.db2.gz WBFJOFAVGRMQJD-WBVHZDCISA-N 0 3 290.407 2.209 10 0 CEAEHN Cc1cc(N)ccc1C(=O)NC[C@@H](C)N1CCCCC1 ZINC000044748909 175244118 /nfs/dbraw/zinc/24/41/18/175244118.db2.gz CUHJKWZMPFAVMN-CYBMUJFWSA-N 0 3 275.396 2.181 10 0 CEAEHN C[C@H]1CCCCN1C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044795528 175254604 /nfs/dbraw/zinc/25/46/04/175254604.db2.gz XYVAJQOWGDHGKK-DZGCQCFKSA-N 0 3 260.381 2.205 10 0 CEAEHN Cc1nn(C)c(C)c1-c1csc(C(C)(C)N)n1 ZINC000045167897 175319433 /nfs/dbraw/zinc/31/94/33/175319433.db2.gz MQRMPJBRTNMNIG-UHFFFAOYSA-N 0 3 250.371 2.354 10 0 CEAEHN CC[C@H](C)[C@H](N)c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169386 175320188 /nfs/dbraw/zinc/32/01/88/175320188.db2.gz HSTYENFOOLZFKW-SDBXPKJASA-N 0 3 261.373 2.473 10 0 CEAEHN CC[C@H]1CSC(NCc2ccc(S(C)(=O)=O)cc2)=N1 ZINC000045173908 175323088 /nfs/dbraw/zinc/32/30/88/175323088.db2.gz SPGFGLNQVORTNV-NSHDSACASA-N 0 3 298.433 2.061 10 0 CEAEHN COc1ccc(-c2nccc(CNC3CC3)n2)cc1 ZINC000045206142 175327712 /nfs/dbraw/zinc/32/77/12/175327712.db2.gz JQFVUFVAJFUTTM-UHFFFAOYSA-N 0 3 255.321 2.404 10 0 CEAEHN CC(C)[NH2+][C@](C)(CCN1CCCCCCC1)C(=O)[O-] ZINC000045223731 175331469 /nfs/dbraw/zinc/33/14/69/175331469.db2.gz XTHVPQNTSHTMMN-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CC(C)N[C@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223731 175331471 /nfs/dbraw/zinc/33/14/71/175331471.db2.gz XTHVPQNTSHTMMN-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@@](C)(CN1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231793 175335763 /nfs/dbraw/zinc/33/57/63/175335763.db2.gz LXFMOCCIWZLESK-YDHLFZDLSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCCCN(C)C[C@](C)(NC(C)C)C(=O)OC ZINC000045268158 175340850 /nfs/dbraw/zinc/34/08/50/175340850.db2.gz XDZHFANKMQAIIJ-AWEZNQCLSA-N 0 3 258.406 2.038 10 0 CEAEHN CCC(CC)C[N@H+](CC)CC[C@@](C)(NC)C(=O)[O-] ZINC000045277817 175347629 /nfs/dbraw/zinc/34/76/29/175347629.db2.gz QLEZYPKIYJIHHA-CQSZACIVSA-N 0 3 258.406 2.197 10 0 CEAEHN CCC(CC)C[N@@H+](CC)CC[C@@](C)(NC)C(=O)[O-] ZINC000045277817 175347632 /nfs/dbraw/zinc/34/76/32/175347632.db2.gz QLEZYPKIYJIHHA-CQSZACIVSA-N 0 3 258.406 2.197 10 0 CEAEHN CCCCC[N@H+](CC[C@@](C)(NC)C(=O)[O-])C(C)C ZINC000045278599 175348809 /nfs/dbraw/zinc/34/88/09/175348809.db2.gz JABSONZFTOSQOE-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCCC[N@@H+](CC[C@@](C)(NC)C(=O)[O-])C(C)C ZINC000045278599 175348811 /nfs/dbraw/zinc/34/88/11/175348811.db2.gz JABSONZFTOSQOE-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CN[C@@](CN(C)CCC(C)C)(C(=O)OC)c1ccccc1 ZINC000045281183 175352218 /nfs/dbraw/zinc/35/22/18/175352218.db2.gz HCZLOGOXDJKQNS-QGZVFWFLSA-N 0 3 292.423 2.252 10 0 CEAEHN CCOC(=O)[C@H](CN1CCCCCCC1)NC(C)C ZINC000045371301 175364545 /nfs/dbraw/zinc/36/45/45/175364545.db2.gz GOHSDZRBLORBGD-AWEZNQCLSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN[C@@H](CN(C)C1CCCCCC1)C(=O)OC ZINC000045419085 175377367 /nfs/dbraw/zinc/37/73/67/175377367.db2.gz MEFDZHFCHBCXFM-AWEZNQCLSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCCN(C[C@H](NCCC)C(=O)OCC)C1CC1 ZINC000045421703 175380057 /nfs/dbraw/zinc/38/00/57/175380057.db2.gz XYXJPPVQJYKFPG-AWEZNQCLSA-N 0 3 270.417 2.182 10 0 CEAEHN C[C@H](NC[C@H]1CC(=O)N(C)C1)c1ccccc1Cl ZINC000658243742 415277982 /nfs/dbraw/zinc/27/79/82/415277982.db2.gz GGGVJTAJFQBUDN-WDEREUQCSA-N 0 3 266.772 2.469 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000070824493 176008193 /nfs/dbraw/zinc/00/81/93/176008193.db2.gz ZYWUOOHXBIRLEQ-LDYMZIIASA-N 0 3 259.136 2.272 10 0 CEAEHN Cc1ccc([C@H]2[C@H](N)CCC(=O)N2C2CC2)s1 ZINC000070987553 176018362 /nfs/dbraw/zinc/01/83/62/176018362.db2.gz CHMAWRNOFBBWMD-ZWNOBZJWSA-N 0 3 250.367 2.210 10 0 CEAEHN Cc1ccc([C@@H]2[C@H](N)CCC(=O)N2C(C)C)s1 ZINC000070987021 176018461 /nfs/dbraw/zinc/01/84/61/176018461.db2.gz FCGGCBHSQMPWQD-MFKMUULPSA-N 0 3 252.383 2.456 10 0 CEAEHN Cc1nn(Cc2ccc3c(c2)CCC3)c(C)c1CN ZINC000071029491 176021969 /nfs/dbraw/zinc/02/19/69/176021969.db2.gz XBEKITMHUWVUMP-UHFFFAOYSA-N 0 3 255.365 2.496 10 0 CEAEHN Cc1ccc(CN2CCC[C@@H](NC3CC3)C2=O)cc1 ZINC000071033089 176023605 /nfs/dbraw/zinc/02/36/05/176023605.db2.gz QKOJMJOEBOTUDE-OAHLLOKOSA-N 0 3 258.365 2.238 10 0 CEAEHN CCC1CCC(N2CC[C@@H](NC3CC3)C2=O)CC1 ZINC000071035270 176024805 /nfs/dbraw/zinc/02/48/05/176024805.db2.gz JBCTWTGDKGUSKI-UXUKBGGZSA-N 0 3 250.386 2.308 10 0 CEAEHN Cc1cc([C@H](C)N2CC[C@H](NC3CC3)C2=O)c(C)o1 ZINC000071035189 176024937 /nfs/dbraw/zinc/02/49/37/176024937.db2.gz JYYOFJADCNFFCR-HZMBPMFUSA-N 0 3 262.353 2.310 10 0 CEAEHN NC(=S)CCN(C[C@@H]1OCCc2ccccc21)C1CC1 ZINC000071091330 176031864 /nfs/dbraw/zinc/03/18/64/176031864.db2.gz NBPWWMYFSSHIAI-HNNXBMFYSA-N 0 3 290.432 2.441 10 0 CEAEHN NCc1cnc(Sc2ncnc3ccccc32)cn1 ZINC000071178559 176055594 /nfs/dbraw/zinc/05/55/94/176055594.db2.gz LVZQLXXEMVPGFN-UHFFFAOYSA-N 0 3 269.333 2.030 10 0 CEAEHN C[C@@H](C(=O)c1ccc(F)c(F)c1)N(C)C[C@@H]1CCN(C)C1 ZINC000071189983 176065451 /nfs/dbraw/zinc/06/54/51/176065451.db2.gz ZNHWIGQIFVLPPM-NWDGAFQWSA-N 0 3 296.361 2.420 10 0 CEAEHN C[C@@H]1CCC[C@H]1NCc1cc(C(N)=O)ccc1F ZINC000071207302 176080784 /nfs/dbraw/zinc/08/07/84/176080784.db2.gz KEFHFFRWUZAIIA-NOZJJQNGSA-N 0 3 250.317 2.203 10 0 CEAEHN CN[C@H](C)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000071209876 176082047 /nfs/dbraw/zinc/08/20/47/176082047.db2.gz NIMWVPWWQVUMJM-YWPYICTPSA-N 0 3 296.436 2.434 10 0 CEAEHN C[C@@H](N)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000071209858 176082065 /nfs/dbraw/zinc/08/20/65/176082065.db2.gz DXQHMTDCHBYIHM-WDMOLILDSA-N 0 3 282.409 2.173 10 0 CEAEHN C[C@H]1CCCCN1CCC[NH2+]CCCCCC(=O)[O-] ZINC000071293006 176110928 /nfs/dbraw/zinc/11/09/28/176110928.db2.gz SALPXJPJRZJKJN-AWEZNQCLSA-N 0 3 270.417 2.486 10 0 CEAEHN c1cc2c(cc1[C@@H]1CNC[C@@H](C3CC3)O1)OCCCO2 ZINC000071308805 176116219 /nfs/dbraw/zinc/11/62/19/176116219.db2.gz FYFJELGSCHXVIB-HOTGVXAUSA-N 0 3 275.348 2.287 10 0 CEAEHN CCCCOC(=O)COc1ccc(C)cc1CNC ZINC000071403467 176154620 /nfs/dbraw/zinc/15/46/20/176154620.db2.gz OOGWHRDGXXTPPC-UHFFFAOYSA-N 0 3 265.353 2.437 10 0 CEAEHN CCNCc1cc(C)ccc1OCCCC(=O)OC ZINC000071403872 176155410 /nfs/dbraw/zinc/15/54/10/176155410.db2.gz VKRTUXCOWKOFGC-UHFFFAOYSA-N 0 3 265.353 2.437 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1ccc(C)cc1CNCCOC ZINC000071407446 176156201 /nfs/dbraw/zinc/15/62/01/176156201.db2.gz GBPBTESUMMVPTI-ZDUSSCGKSA-N 0 3 295.379 2.061 10 0 CEAEHN CCN(Cc1ccc(OC)c(C(C)C)c1)C(=O)CN ZINC000076680151 177057861 /nfs/dbraw/zinc/05/78/61/177057861.db2.gz ADTGUVPZHOESBC-UHFFFAOYSA-N 0 3 264.369 2.126 10 0 CEAEHN NCc1cncn1-c1ccc(Br)cc1 ZINC000076694767 177059965 /nfs/dbraw/zinc/05/99/65/177059965.db2.gz XDSQNIIGUZTQHN-UHFFFAOYSA-N 0 3 252.115 2.094 10 0 CEAEHN CCNCc1cn2c(cccc2Br)n1 ZINC000076792291 177097303 /nfs/dbraw/zinc/09/73/03/177097303.db2.gz GZLFPAYXVAAMRC-UHFFFAOYSA-N 0 3 254.131 2.206 10 0 CEAEHN COC[C@@](C)(N)c1cc(Br)cs1 ZINC000077430001 177266327 /nfs/dbraw/zinc/26/63/27/177266327.db2.gz KRLMOZAHQGNVFQ-MRVPVSSYSA-N 0 3 250.161 2.331 10 0 CEAEHN CCN(C[C@@H]1OCCc2ccccc21)CC(C)(C)O ZINC000078838365 177396812 /nfs/dbraw/zinc/39/68/12/177396812.db2.gz GJEUZBHWBVWOOH-HNNXBMFYSA-N 0 3 263.381 2.393 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCC2CCCC2)C1 ZINC000194149329 270293850 /nfs/dbraw/zinc/29/38/50/270293850.db2.gz FJOOXOFEFCTQFG-AWEZNQCLSA-N 0 3 267.417 2.350 10 0 CEAEHN CCOc1ccccc1OCCN1C[C@H](O)CC[C@H]1C ZINC000399455740 270370083 /nfs/dbraw/zinc/37/00/83/270370083.db2.gz IDXUHKLZYHVWQD-ZIAGYGMSSA-N 0 3 279.380 2.309 10 0 CEAEHN c1ccn2c(c1)nnc2CN[C@@H]1CCc2ccccc2C1 ZINC000035012062 275072421 /nfs/dbraw/zinc/07/24/21/275072421.db2.gz HOBQDVWKMSCUBF-OAHLLOKOSA-N 0 3 278.359 2.376 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1nncn1C ZINC000037989109 275994514 /nfs/dbraw/zinc/99/45/14/275994514.db2.gz BXBHJQCSDNEDHU-FRRDWIJNSA-N 0 3 250.390 2.366 10 0 CEAEHN CC(C)[C@H]1CC[C@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514939 276029139 /nfs/dbraw/zinc/02/91/39/276029139.db2.gz OJWQZTWLDDLZQH-QDIHITRGSA-N 0 3 294.439 2.338 10 0 CEAEHN CC(C)[C@H]1CC[C@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514939 276029142 /nfs/dbraw/zinc/02/91/42/276029142.db2.gz OJWQZTWLDDLZQH-QDIHITRGSA-N 0 3 294.439 2.338 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(N(C)C)c1 ZINC000177424235 276169576 /nfs/dbraw/zinc/16/95/76/276169576.db2.gz RYRPPSVVQHDSLY-MRXNPFEDSA-N 0 3 289.423 2.309 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1sccc1OC ZINC000176982819 276182409 /nfs/dbraw/zinc/18/24/09/276182409.db2.gz MOHSSLJITISJGE-NSHDSACASA-N 0 3 282.409 2.313 10 0 CEAEHN CC(C)c1ccc([C@@H](C)NC(=O)C2(N)CCOCC2)cc1 ZINC000132111821 278044721 /nfs/dbraw/zinc/04/47/21/278044721.db2.gz UGEKCDPDUOABGH-CYBMUJFWSA-N 0 3 290.407 2.495 10 0 CEAEHN C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)[C@@H](C)CN1 ZINC000090804060 278799788 /nfs/dbraw/zinc/79/97/88/278799788.db2.gz XYYLWWKVDLLTNM-BDAKNGLRSA-N 0 3 259.275 2.287 10 0 CEAEHN Cc1ccc2cc(C(=O)N3CC[C@H](N(C)C)C3)ccc2n1 ZINC000161572911 278895924 /nfs/dbraw/zinc/89/59/24/278895924.db2.gz ZBQRCAMBUUUQST-HNNXBMFYSA-N 0 3 283.375 2.319 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000263466690 279059425 /nfs/dbraw/zinc/05/94/25/279059425.db2.gz CTWOJDVEVJDUKP-GFJIZPEISA-N 0 3 268.401 2.092 10 0 CEAEHN CC[C@H](O)CN1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000254976998 288110563 /nfs/dbraw/zinc/11/05/63/288110563.db2.gz ABFFCXAMHMORCU-LIMHQNJXSA-N 0 3 292.398 2.227 10 0 CEAEHN Cn1c(-c2nc3c([nH]2)CNCC3)cc2ccccc21 ZINC000095360935 279301372 /nfs/dbraw/zinc/30/13/72/279301372.db2.gz YLJBRYZJVPPXHT-UHFFFAOYSA-N 0 3 252.321 2.214 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCCC2(C)C)C1 ZINC000246602609 279321349 /nfs/dbraw/zinc/32/13/49/279321349.db2.gz KIAXSCRQAQBROU-STQMWFEESA-N 0 3 267.417 2.349 10 0 CEAEHN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000249299836 280028956 /nfs/dbraw/zinc/02/89/56/280028956.db2.gz NUVIYVJGJUSBAX-RFGFWPKPSA-N 0 3 252.402 2.123 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)c1nc(C2CC2)no1 ZINC000245473166 280243272 /nfs/dbraw/zinc/24/32/72/280243272.db2.gz PRQZYYBCNOEWDL-DGCLKSJQSA-N 0 3 278.400 2.424 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC000245714281 280257540 /nfs/dbraw/zinc/25/75/40/280257540.db2.gz UMVWJRBWNXEKRC-FZMZJTMJSA-N 0 3 292.427 2.121 10 0 CEAEHN CCc1ccc([O-])c(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245717024 280257973 /nfs/dbraw/zinc/25/79/73/280257973.db2.gz CZJLZEXCUXBXAI-TZMCWYRMSA-N 0 3 288.391 2.263 10 0 CEAEHN CCc1ccc([O-])c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000245717024 280257975 /nfs/dbraw/zinc/25/79/75/280257975.db2.gz CZJLZEXCUXBXAI-TZMCWYRMSA-N 0 3 288.391 2.263 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@H]2CCc3ncnn3C2)cc1 ZINC000180590574 280942247 /nfs/dbraw/zinc/94/22/47/280942247.db2.gz UHSOJRNKMSNVBU-OCCSQVGLSA-N 0 3 256.353 2.252 10 0 CEAEHN CCC[C@@H](C(=O)N(C)CCN(C)c1ccccc1)N(C)C ZINC000153628634 289118169 /nfs/dbraw/zinc/11/81/69/289118169.db2.gz OWKLBQLOSHOOIF-INIZCTEOSA-N 0 3 291.439 2.312 10 0 CEAEHN C[C@H](C(=O)OC(C)(C)C)N(C)CCN1CCC(C)CC1 ZINC000154136094 289136172 /nfs/dbraw/zinc/13/61/72/289136172.db2.gz HLHPVNGCAUXMJR-CQSZACIVSA-N 0 3 284.444 2.380 10 0 CEAEHN C[C@H](N)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000237411083 289764866 /nfs/dbraw/zinc/76/48/66/289764866.db2.gz NSNRGBJJTLIAFW-VIFPVBQESA-N 0 3 262.309 2.014 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1sc(C)nc1C)N(C)C ZINC000162062764 297449929 /nfs/dbraw/zinc/44/99/29/297449929.db2.gz FMDJDIUFISHVID-LBPRGKRZSA-N 0 3 283.441 2.149 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](C)Oc1cccc(F)c1)N(C)C ZINC000162319464 297450893 /nfs/dbraw/zinc/45/08/93/297450893.db2.gz FJUGHPWTOFZISE-WFASDCNBSA-N 0 3 296.386 2.440 10 0 CEAEHN CCC[C@H](C(=O)N1CCS[C@H](C(C)C)C1)N(C)C ZINC000162346659 297451836 /nfs/dbraw/zinc/45/18/36/297451836.db2.gz UHRZCOLCZMRZPF-OLZOCXBDSA-N 0 3 272.458 2.317 10 0 CEAEHN C[C@@H]1CCCN([C@@H]2CNC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960847 330384219 /nfs/dbraw/zinc/38/42/19/330384219.db2.gz UEYACEUEEIQLQV-RDBSUJKOSA-N 0 3 282.428 2.038 10 0 CEAEHN C[C@@H]1C[C@@]2(CO)CN(Cc3ccccc3)CC[C@@H]2O1 ZINC000536961037 330384333 /nfs/dbraw/zinc/38/43/33/330384333.db2.gz VGBCYGHICHZLQC-KBMXLJTQSA-N 0 3 261.365 2.048 10 0 CEAEHN CCNCCS(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000049641038 519925148 /nfs/dbraw/zinc/92/51/48/519925148.db2.gz HWJIGQZHQVWCEN-UHFFFAOYSA-N 0 3 270.398 2.161 10 0 CEAEHN CCNCc1cc(Cl)ccc1O[C@H](C)C(=O)OC ZINC000049850634 519991868 /nfs/dbraw/zinc/99/18/68/519991868.db2.gz HATUBAOOALTHCY-SECBINFHSA-N 0 3 271.744 2.390 10 0 CEAEHN CCCN[C@H]1c2ccccc2CCC[C@@H]1S(C)(=O)=O ZINC000054930495 520098448 /nfs/dbraw/zinc/09/84/48/520098448.db2.gz ANDOLBPEKNIJNJ-GJZGRUSLSA-N 0 3 281.421 2.477 10 0 CEAEHN CCOC[C@H](O)COc1cc(C)ccc1[C@H](C)NC ZINC000069276308 520164528 /nfs/dbraw/zinc/16/45/28/520164528.db2.gz IIZGDSQMBQMPIW-STQMWFEESA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@H](CCOc1cc(C)ccc1C(C)C)C(N)=O ZINC000062548757 520191807 /nfs/dbraw/zinc/19/18/07/520191807.db2.gz RLQPDPQRFPPPEQ-CQSZACIVSA-N 0 3 278.396 2.351 10 0 CEAEHN CC[C@@H](C)CNS(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000054489104 521997733 /nfs/dbraw/zinc/99/77/33/521997733.db2.gz WPYRILBYONXRRK-GHMZBOCLSA-N 0 3 270.398 2.031 10 0 CEAEHN COC(=O)c1cc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)cs1 ZINC000412050896 533803457 /nfs/dbraw/zinc/80/34/57/533803457.db2.gz VEEZLRJZTBTHDL-AVGNSLFASA-N 0 3 295.404 2.128 10 0 CEAEHN CN[C@@H](c1ccc(OC)c(Cl)c1)[C@H]1COCCO1 ZINC000055299273 522370048 /nfs/dbraw/zinc/37/00/48/522370048.db2.gz JYDWRPQBGOATRP-OLZOCXBDSA-N 0 3 271.744 2.025 10 0 CEAEHN CC(C)CCC[C@H](C)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000049128624 519648194 /nfs/dbraw/zinc/64/81/94/519648194.db2.gz LQJDHMNQYHWVQO-QWHCGFSZSA-N 0 3 268.401 2.327 10 0 CEAEHN CC(C)N1CCN(C[C@H]2C[C@@H](C)CCC2=O)CC1 ZINC000053927335 519682101 /nfs/dbraw/zinc/68/21/01/519682101.db2.gz RICDMUMWPGQLCP-UONOGXRCSA-N 0 3 252.402 2.018 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000155815702 519696860 /nfs/dbraw/zinc/69/68/60/519696860.db2.gz TWHLVZWUVNMCSJ-HZMBPMFUSA-N 0 3 282.334 2.423 10 0 CEAEHN CC(C)NCCS(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000049632262 519722053 /nfs/dbraw/zinc/72/20/53/519722053.db2.gz XPFSLFXWSIJAJX-ZDUSSCGKSA-N 0 3 296.436 2.156 10 0 CEAEHN CC(C)CN1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000055080476 519726406 /nfs/dbraw/zinc/72/64/06/519726406.db2.gz ZWMAPCCWUPLORU-KRWDZBQOSA-N 0 3 276.424 2.168 10 0 CEAEHN CC(C)NCc1occc1COC[C@@H]1CCOC1 ZINC000052704394 519730337 /nfs/dbraw/zinc/73/03/37/519730337.db2.gz JKYRFNSUSNGUDQ-GFCCVEGCSA-N 0 3 253.342 2.331 10 0 CEAEHN CC(C)N[C@@H](CCOc1ccc2c(c1)CCCC2)C(N)=O ZINC000062542255 519734890 /nfs/dbraw/zinc/73/48/90/519734890.db2.gz LRTZLARWULOJGT-INIZCTEOSA-N 0 3 290.407 2.186 10 0 CEAEHN CC(C)N[C@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451263 519738128 /nfs/dbraw/zinc/73/81/28/519738128.db2.gz RKKGATPRUYAUMC-CQSZACIVSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)N[C@H](CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451263 519738129 /nfs/dbraw/zinc/73/81/29/519738129.db2.gz RKKGATPRUYAUMC-CQSZACIVSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)Oc1ccc([C@@H](N)Cn2ccc(=O)cc2)cc1 ZINC000061627925 519781644 /nfs/dbraw/zinc/78/16/44/519781644.db2.gz JWHOOOAFCDVEKG-INIZCTEOSA-N 0 3 272.348 2.336 10 0 CEAEHN CC(C)c1nc(COc2ccc3c(c2)OC[C@H]3N)no1 ZINC000062803380 519864797 /nfs/dbraw/zinc/86/47/97/519864797.db2.gz DEXAMIAGPLMFJB-LLVKDONJSA-N 0 3 275.308 2.164 10 0 CEAEHN CCCC1CCN(CC[C@](C)([NH2+]CC)C(=O)[O-])CC1 ZINC000050905701 519901518 /nfs/dbraw/zinc/90/15/18/519901518.db2.gz PNKMJHOLEACRLR-HNNXBMFYSA-N 0 3 270.417 2.341 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000061292172 519906425 /nfs/dbraw/zinc/90/64/25/519906425.db2.gz GSLVVYFVNRNVTD-UHFFFAOYSA-N 0 3 272.352 2.403 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(OCCOC)cc1 ZINC000061293035 519907417 /nfs/dbraw/zinc/90/74/17/519907417.db2.gz RLJZMVYDQWZACC-UHFFFAOYSA-N 0 3 280.368 2.038 10 0 CEAEHN CCCNCc1cc(CN(CC)[C@H](C)COC)on1 ZINC000052504846 519944942 /nfs/dbraw/zinc/94/49/42/519944942.db2.gz RMNPNZYWCIWABE-GFCCVEGCSA-N 0 3 269.389 2.031 10 0 CEAEHN CCCNCc1ccc(CN(CCOC)[C@H](C)COC)o1 ZINC000052572331 519946880 /nfs/dbraw/zinc/94/68/80/519946880.db2.gz DJMRWFNYUNLEFF-CQSZACIVSA-N 0 3 298.427 2.263 10 0 CEAEHN CCCNCc1nc(COCCOCC)cs1 ZINC000052603916 519967865 /nfs/dbraw/zinc/96/78/65/519967865.db2.gz WPIDIWSENBCHEC-UHFFFAOYSA-N 0 3 258.387 2.196 10 0 CEAEHN CCNCc1c(C)nn(CCOCC(F)(F)F)c1C ZINC000049311744 519985263 /nfs/dbraw/zinc/98/52/63/519985263.db2.gz NFAAFYKAIODFSH-UHFFFAOYSA-N 0 3 279.306 2.188 10 0 CEAEHN CCNCc1coc(CN(C)[C@@H]2CCSC2)c1 ZINC000052453451 520018185 /nfs/dbraw/zinc/01/81/85/520018185.db2.gz DUMMEFNODALVJH-GFCCVEGCSA-N 0 3 254.399 2.326 10 0 CEAEHN CCC[NH2+][C@@H](CCN1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443520 520002099 /nfs/dbraw/zinc/00/20/99/520002099.db2.gz WPQQQQKNYFKJOB-AVGNSLFASA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN[C@@H](CN1CCN(C)C1=O)c1ccccc1 ZINC000052885563 520008161 /nfs/dbraw/zinc/00/81/61/520008161.db2.gz XGKSSXXIANLWKI-AWEZNQCLSA-N 0 3 261.369 2.095 10 0 CEAEHN CCNCc1cnc(N(CCOC)CC(C)C)s1 ZINC000054906805 520015656 /nfs/dbraw/zinc/01/56/56/520015656.db2.gz ATWAADWIDYDWMR-UHFFFAOYSA-N 0 3 271.430 2.361 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1)[C@@H]1COCCO1 ZINC000055300399 520017762 /nfs/dbraw/zinc/01/77/62/520017762.db2.gz ISFHKGWERPSZBX-KBPBESRZSA-N 0 3 253.317 2.282 10 0 CEAEHN CCOCCOc1c(CNCCOC)cccc1OCC ZINC000062732778 520036292 /nfs/dbraw/zinc/03/62/92/520036292.db2.gz YHSHKYGPRPDTPZ-UHFFFAOYSA-N 0 3 297.395 2.237 10 0 CEAEHN CCCN[C@@](CN(CC)CC)(C(=O)OCC)C1CC1 ZINC000069093385 520049641 /nfs/dbraw/zinc/04/96/41/520049641.db2.gz FNZAXBQNUMIHHK-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@@](CN1CCCC(C)(C)C1)(C(=O)OC)C1CC1 ZINC000069517022 520051923 /nfs/dbraw/zinc/05/19/23/520051923.db2.gz IDPGSWDPVRNJOI-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCN[C@@](COc1cccc(CC)c1)(C(N)=O)C1CC1 ZINC000069196623 520057551 /nfs/dbraw/zinc/05/75/51/520057551.db2.gz UWDGUKUMPIRGBC-QGZVFWFLSA-N 0 3 290.407 2.262 10 0 CEAEHN CCN[C@@H](C)c1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053764 520074622 /nfs/dbraw/zinc/07/46/22/520074622.db2.gz HVTDVFDRWFXNDI-JQWIXIFHSA-N 0 3 287.787 2.397 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@H](CC)C(N)=O ZINC000062746899 520076099 /nfs/dbraw/zinc/07/60/99/520076099.db2.gz LCYXNNUXXJMGDT-JOYOIKCWSA-N 0 3 268.332 2.139 10 0 CEAEHN CCCN[C@H](CCc1ccccc1)CS(C)(=O)=O ZINC000052789202 520080244 /nfs/dbraw/zinc/08/02/44/520080244.db2.gz PEFRVQKMPMQAQQ-CQSZACIVSA-N 0 3 269.410 2.032 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1F)[C@@H]1COCCO1 ZINC000055300564 520090741 /nfs/dbraw/zinc/09/07/41/520090741.db2.gz BPFOXNJUJBRLCB-UONOGXRCSA-N 0 3 271.307 2.421 10 0 CEAEHN CCCN[C@H](c1ccc(OC)c(OC)c1)[C@H]1COCCO1 ZINC000055300397 520091073 /nfs/dbraw/zinc/09/10/73/520091073.db2.gz XYMNCLFEAHWCPY-HZPDHXFCSA-N 0 3 295.379 2.160 10 0 CEAEHN CCCN[C@H]1COc2cc(OCC(=O)OCC)ccc21 ZINC000062805162 520097452 /nfs/dbraw/zinc/09/74/52/520097452.db2.gz BAKQUOQMMQLTIF-ZDUSSCGKSA-N 0 3 279.336 2.062 10 0 CEAEHN CCN[C@@H]1c2ccccc2CCC[C@@H]1S(C)(=O)=O ZINC000054930334 520126976 /nfs/dbraw/zinc/12/69/76/520126976.db2.gz QLMIXNYIYVIREE-UONOGXRCSA-N 0 3 267.394 2.087 10 0 CEAEHN CCCNc1cc(C(=O)N[C@@H](CN(C)C)C(C)C)ccn1 ZINC000050779723 520132428 /nfs/dbraw/zinc/13/24/28/520132428.db2.gz HIBCFLGOSBRPMS-AWEZNQCLSA-N 0 3 292.427 2.220 10 0 CEAEHN CCN[C@@](CN(CC)C(C)C)(C(=O)OCC)C1CC1 ZINC000069097178 520151864 /nfs/dbraw/zinc/15/18/64/520151864.db2.gz OHIPTVYRCVTZTN-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN[C@H](c1cc(C)sc1C)[C@@H]1COCCO1 ZINC000055300145 520205784 /nfs/dbraw/zinc/20/57/84/520205784.db2.gz XTQYTYNRNJDKRV-QWHCGFSZSA-N 0 3 255.383 2.431 10 0 CEAEHN CCN[C@](C)(CSCc1ccccc1C)C(N)=O ZINC000054964685 520233529 /nfs/dbraw/zinc/23/35/29/520233529.db2.gz ZJDLWEGZZFEMBT-CQSZACIVSA-N 0 3 266.410 2.082 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1ccc(C)c(C)c1)C(N)=O ZINC000068656043 520240021 /nfs/dbraw/zinc/24/00/21/520240021.db2.gz RSIZTTYVEHAWSN-XJKSGUPXSA-N 0 3 278.396 2.314 10 0 CEAEHN CCCO[C@@H]1CCCN(Cc2occc2CN)C1 ZINC000052371565 520275718 /nfs/dbraw/zinc/27/57/18/520275718.db2.gz NTWDWDVZYHLOCB-CYBMUJFWSA-N 0 3 252.358 2.129 10 0 CEAEHN CCNc1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000050779364 520339838 /nfs/dbraw/zinc/33/98/38/520339838.db2.gz NBWREJTYKVDFPC-LBPRGKRZSA-N 0 3 273.380 2.085 10 0 CEAEHN CCCOc1cccc([C@@H](NCC2CC2)C(N)=O)c1 ZINC000052921467 520464979 /nfs/dbraw/zinc/46/49/79/520464979.db2.gz TXOSBVQXBFHZOJ-CQSZACIVSA-N 0 3 262.353 2.001 10 0 CEAEHN CCCOc1ccccc1O[C@H](C)C[C@](C)(NC)C(N)=O ZINC000068653980 520486172 /nfs/dbraw/zinc/48/61/72/520486172.db2.gz IYWUTPBLMKVOAA-WBMJQRKESA-N 0 3 294.395 2.096 10 0 CEAEHN CCN(CC)C(=O)[C@@H](CN)Cc1cc(F)c(F)c(F)c1 ZINC000062706160 520521862 /nfs/dbraw/zinc/52/18/62/520521862.db2.gz YXYJNCWXBHJOTH-SNVBAGLBSA-N 0 3 288.313 2.090 10 0 CEAEHN CCOC(=O)CCN[C@@H](C)c1ccc(OC)cc1F ZINC000045688158 520689510 /nfs/dbraw/zinc/68/95/10/520689510.db2.gz MHWVOUROKZRQQU-JTQLQIEISA-N 0 3 269.316 2.438 10 0 CEAEHN CCOc1cc(CNCCOC)ccc1OCCCOC ZINC000062731207 520715630 /nfs/dbraw/zinc/71/56/30/520715630.db2.gz ZXHANWNGPPWLNR-UHFFFAOYSA-N 0 3 297.395 2.237 10 0 CEAEHN CCN(CC)c1c(CNC(C)(C)C)c(C)nn1C ZINC000062734118 520875500 /nfs/dbraw/zinc/87/55/00/520875500.db2.gz JVBAFXOTFWNEPI-UHFFFAOYSA-N 0 3 252.406 2.463 10 0 CEAEHN CC1CCC(CNC(=O)[C@H]2CCC[C@H](C)N2)CC1 ZINC000063147041 520922740 /nfs/dbraw/zinc/92/27/40/520922740.db2.gz RZVFPXPBCCOLGT-GNRIBBGQSA-N 0 3 252.402 2.460 10 0 CEAEHN CCCC[C@@H](N)C(=O)Nc1ccccc1[C@H](C)O ZINC000049547483 521074054 /nfs/dbraw/zinc/07/40/54/521074054.db2.gz XOVMPUIWPKVCQP-CMPLNLGQSA-N 0 3 250.342 2.196 10 0 CEAEHN CCCC[C@H](C)N[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000050887994 521153033 /nfs/dbraw/zinc/15/30/33/521153033.db2.gz HBIUIPRYRAAHBI-GXTWGEPZSA-N 0 3 274.364 2.487 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1c(CNC2CC2)cccc1OC ZINC000049954858 521215510 /nfs/dbraw/zinc/21/55/10/521215510.db2.gz WPNACTWFVUPHIW-NSHDSACASA-N 0 3 293.363 2.278 10 0 CEAEHN CCOc1ccc([C@@H](O)CN(C)C)cc1OCC ZINC000062359397 521230845 /nfs/dbraw/zinc/23/08/45/521230845.db2.gz LMVJPZHEHXNMRW-LBPRGKRZSA-N 0 3 253.342 2.079 10 0 CEAEHN CCOc1ccc([C@H](Cn2ccc(=O)cc2)NC)cc1 ZINC000061627785 521263509 /nfs/dbraw/zinc/26/35/09/521263509.db2.gz YZXGUXXHIUUYTM-INIZCTEOSA-N 0 3 272.348 2.208 10 0 CEAEHN CCN(Cc1cc(CN)c(C)o1)Cc1ccncc1 ZINC000052514959 521288688 /nfs/dbraw/zinc/28/86/88/521288688.db2.gz VPKBHEALSLCPLW-UHFFFAOYSA-N 0 3 259.353 2.464 10 0 CEAEHN CCOc1cccc(CN)c1OCCOC(C)C ZINC000049258924 521332213 /nfs/dbraw/zinc/33/22/13/521332213.db2.gz ARFNCSDBVRGGPA-UHFFFAOYSA-N 0 3 253.342 2.348 10 0 CEAEHN CCCc1cc(NC)nc(CCN(CC)CC)n1 ZINC000050849850 521379147 /nfs/dbraw/zinc/37/91/47/521379147.db2.gz TVBSJCUJVIZTLG-UHFFFAOYSA-N 0 3 250.390 2.355 10 0 CEAEHN CCCc1ccc(OCC[C@H](NC(C)C)C(N)=O)cc1 ZINC000062596192 521405390 /nfs/dbraw/zinc/40/53/90/521405390.db2.gz YKFWHTGTQJMURZ-HNNXBMFYSA-N 0 3 278.396 2.260 10 0 CEAEHN CCN(c1cccc2ccccc21)S(=O)(=O)CCNC ZINC000049629985 521496080 /nfs/dbraw/zinc/49/60/80/521496080.db2.gz YHJHFOJXKBVBJV-UHFFFAOYSA-N 0 3 292.404 2.215 10 0 CEAEHN CCCc1nc(N(C)CCOC)sc1CNC1CC1 ZINC000055001719 521528953 /nfs/dbraw/zinc/52/89/53/521528953.db2.gz CMIOUPAZIKUGAQ-UHFFFAOYSA-N 0 3 283.441 2.430 10 0 CEAEHN CCN1CCC(N(C)c2nc(C)c([C@H](C)O)s2)CC1 ZINC000054927995 521567001 /nfs/dbraw/zinc/56/70/01/521567001.db2.gz CIIHUDHHTHDZOY-NSHDSACASA-N 0 3 283.441 2.425 10 0 CEAEHN CCN1CCC(N(C)c2ncc([C@@H](C)O)s2)CC1 ZINC000054927999 521570933 /nfs/dbraw/zinc/57/09/33/521570933.db2.gz NPHBXTMXLQKMDF-SNVBAGLBSA-N 0 3 269.414 2.117 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000052501163 521620900 /nfs/dbraw/zinc/62/09/00/521620900.db2.gz BCJANSRFFQMSGO-QWHCGFSZSA-N 0 3 279.384 2.433 10 0 CEAEHN CCNC(=O)[C@H](C)NC[C@@H](O)c1ccc(CC(C)C)cc1 ZINC000049201638 521745454 /nfs/dbraw/zinc/74/54/54/521745454.db2.gz KSDZNVVFWPVTCF-XJKSGUPXSA-N 0 3 292.423 2.033 10 0 CEAEHN COc1c(C)cnc(CN[C@H](C)CN2CCCC2)c1C ZINC000049180430 521810892 /nfs/dbraw/zinc/81/08/92/521810892.db2.gz FOEUNLNAMJOBHY-CYBMUJFWSA-N 0 3 277.412 2.281 10 0 CEAEHN COCC[C@@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000052785246 521832118 /nfs/dbraw/zinc/83/21/18/521832118.db2.gz QVIPCIWWZJAHJJ-MRVPVSSYSA-N 0 3 284.157 2.362 10 0 CEAEHN COCC[C@@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000052785246 521832122 /nfs/dbraw/zinc/83/21/22/521832122.db2.gz QVIPCIWWZJAHJJ-MRVPVSSYSA-N 0 3 284.157 2.362 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1nc(C(C)(C)C)c(CO)s1 ZINC000061655625 521844635 /nfs/dbraw/zinc/84/46/35/521844635.db2.gz OURNWFHDLHPBJG-NSHDSACASA-N 0 3 297.468 2.463 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1nc(C2CC2)c(C=O)s1 ZINC000069181234 521875467 /nfs/dbraw/zinc/87/54/67/521875467.db2.gz LRXSLLCMBOSZBM-LLVKDONJSA-N 0 3 279.409 2.363 10 0 CEAEHN CN(C)Cc1cccc(NC(=O)c2csc(N)n2)c1 ZINC000055186167 521930863 /nfs/dbraw/zinc/93/08/63/521930863.db2.gz KPVSZXGEYURNAT-UHFFFAOYSA-N 0 3 276.365 2.039 10 0 CEAEHN CC[C@@H](C)CN[C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000054469772 522000166 /nfs/dbraw/zinc/00/01/66/522000166.db2.gz VJLJIXXQNAJOQJ-OCCSQVGLSA-N 0 3 280.412 2.472 10 0 CEAEHN CNCc1cc(C)nc(Cc2ccc(OC)c(OC)c2)n1 ZINC000054830872 522104195 /nfs/dbraw/zinc/10/41/95/522104195.db2.gz DJFBCQKSGSAJCV-UHFFFAOYSA-N 0 3 287.363 2.112 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ncc([C@@H](C)N)s2)CC1 ZINC000055076313 522137082 /nfs/dbraw/zinc/13/70/82/522137082.db2.gz QPMQANOPOHPNGQ-GHMZBOCLSA-N 0 3 268.430 2.083 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000062806585 522370500 /nfs/dbraw/zinc/37/05/00/522370500.db2.gz PWASLMXQXZHRLR-HOCLYGCPSA-N 0 3 274.364 2.035 10 0 CEAEHN CN[C@@](COc1ccccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197797 522430157 /nfs/dbraw/zinc/43/01/57/522430157.db2.gz LKONBAVEFQRIJX-MRXNPFEDSA-N 0 3 276.380 2.042 10 0 CEAEHN CN[C@@](CSc1ccc(C)c(C)c1)(C(N)=O)C1CC1 ZINC000069187521 522432539 /nfs/dbraw/zinc/43/25/39/522432539.db2.gz HNZXGNFUIZZDGK-OAHLLOKOSA-N 0 3 278.421 2.249 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000048775787 522438613 /nfs/dbraw/zinc/43/86/13/522438613.db2.gz MUWDJNQTRTZDEV-MRVPVSSYSA-N 0 3 271.158 2.304 10 0 CEAEHN CN[C@H](COC1CCC1)c1ccc2c(c1)OCCO2 ZINC000050520072 522468477 /nfs/dbraw/zinc/46/84/77/522468477.db2.gz WYMJHCVLDBMELV-CYBMUJFWSA-N 0 3 263.337 2.287 10 0 CEAEHN CN[C@H](Cn1ncccc1=O)c1ccc2ccccc2c1 ZINC000061402627 522478159 /nfs/dbraw/zinc/47/81/59/522478159.db2.gz ZOUXHHXEMWFRNW-MRXNPFEDSA-N 0 3 279.343 2.357 10 0 CEAEHN COc1cc(CN[C@@H]2C[C@H]2C)cc(OC)c1OC ZINC000052269324 522481381 /nfs/dbraw/zinc/48/13/81/522481381.db2.gz XFPVHDBEATUEKC-MWLCHTKSSA-N 0 3 251.326 2.210 10 0 CEAEHN CN[C@H](c1ccnn1C)c1ccc2ncccc2c1 ZINC000069468106 522484609 /nfs/dbraw/zinc/48/46/09/522484609.db2.gz NANIACJWRLWJSL-HNNXBMFYSA-N 0 3 252.321 2.277 10 0 CEAEHN CN[C@H](c1cncnc1)c1ccc2ncccc2c1 ZINC000062802216 522484719 /nfs/dbraw/zinc/48/47/19/522484719.db2.gz XLCPALYERNEFNX-HNNXBMFYSA-N 0 3 250.305 2.334 10 0 CEAEHN CN[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000049648364 522504049 /nfs/dbraw/zinc/50/40/49/522504049.db2.gz AKOIWTPYIKHOHQ-VIFPVBQESA-N 0 3 259.136 2.318 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069133024 522546838 /nfs/dbraw/zinc/54/68/38/522546838.db2.gz PCVJNXJWQYLSFF-UWVGGRQHSA-N 0 3 282.771 2.171 10 0 CEAEHN CCc1nccn1-c1ccc(CNCCOC)cc1 ZINC000062738831 522578386 /nfs/dbraw/zinc/57/83/86/522578386.db2.gz CVWDHBJZWGGAAT-UHFFFAOYSA-N 0 3 259.353 2.171 10 0 CEAEHN COc1cc(F)c([C@H](N)C2CCOCC2)c(F)c1 ZINC000061672156 522586661 /nfs/dbraw/zinc/58/66/61/522586661.db2.gz FMPMVUZKHXTXJL-CYBMUJFWSA-N 0 3 257.280 2.400 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N[C@@H](CN(C)C)C(C)C ZINC000053004074 522604683 /nfs/dbraw/zinc/60/46/83/522604683.db2.gz FGOZKBOCHFCZDD-HNNXBMFYSA-N 0 3 277.412 2.353 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1cc(F)ccc1F)C(F)(F)F ZINC000062784620 522652320 /nfs/dbraw/zinc/65/23/20/522652320.db2.gz XPKNWYGKCRXJBP-ZJUUUORDSA-N 0 3 269.213 2.452 10 0 CEAEHN COC1CCN(c2nc3c(s2)[C@H](N)CCC3)CC1 ZINC000054895421 522710094 /nfs/dbraw/zinc/71/00/94/522710094.db2.gz FYLPFEKAGURCLR-SNVBAGLBSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@H](Oc1ccc(Cl)cc1CNC(C)C)C(N)=O ZINC000061675740 522871868 /nfs/dbraw/zinc/87/18/68/522871868.db2.gz SWHDXHZBGPUHCK-LBPRGKRZSA-N 0 3 284.787 2.481 10 0 CEAEHN COC(=O)COC[C@@H](N)c1ccc2cc(OC)ccc2c1 ZINC000049955943 523215485 /nfs/dbraw/zinc/21/54/85/523215485.db2.gz UGQKUDFPMWSMSK-OAHLLOKOSA-N 0 3 289.331 2.038 10 0 CEAEHN COc1ccc(-c2ncc([C@H](C)N)c(C)n2)cc1OC ZINC000054962515 523237001 /nfs/dbraw/zinc/23/70/01/523237001.db2.gz DVWYWCWRWMFEDI-VIFPVBQESA-N 0 3 273.336 2.489 10 0 CEAEHN COCCCNC(=O)[C@H](C)N[C@@H]1CCCc2sccc21 ZINC000061362446 523358047 /nfs/dbraw/zinc/35/80/47/523358047.db2.gz LYCCRWMMNHDYIA-WCQYABFASA-N 0 3 296.436 2.256 10 0 CEAEHN CC[C@@H]1CN(c2nc(C3CC3)c(CNC)s2)CCO1 ZINC000069147045 523473025 /nfs/dbraw/zinc/47/30/25/523473025.db2.gz UMZAQODCTRXRDG-LLVKDONJSA-N 0 3 281.425 2.355 10 0 CEAEHN CN(Cc1cnn(C)c1)Cc1oc2ccccc2c1CN ZINC000052570376 523514923 /nfs/dbraw/zinc/51/49/23/523514923.db2.gz ZACJCLHDAMXHKI-UHFFFAOYSA-N 0 3 284.363 2.257 10 0 CEAEHN CN(Cc1cnn(C)c1)Cc1c2ccccc2oc1CN ZINC000052570343 523517313 /nfs/dbraw/zinc/51/73/13/523517313.db2.gz MEKYIMYJNPOXCW-UHFFFAOYSA-N 0 3 284.363 2.257 10 0 CEAEHN CCn1nccc1[C@@H](Cc1cccc(OC)c1)NC ZINC000069471415 523745302 /nfs/dbraw/zinc/74/53/02/523745302.db2.gz AKDOCTFCMKRVEJ-CQSZACIVSA-N 0 3 259.353 2.415 10 0 CEAEHN CN1CCCC[C@@H]1CCNc1ccc(S(C)(=O)=O)cc1 ZINC000052205293 523793575 /nfs/dbraw/zinc/79/35/75/523793575.db2.gz PNJGMVSLVUAVAS-CQSZACIVSA-N 0 3 296.436 2.376 10 0 CEAEHN CN1CCCC[C@H]1CNC(=O)c1cccc2c1CCCN2 ZINC000061412505 523799088 /nfs/dbraw/zinc/79/90/88/523799088.db2.gz LOUDOFMKNXTJGC-ZDUSSCGKSA-N 0 3 287.407 2.259 10 0 CEAEHN COCCNC[C@@H](O)c1c(OC)ccc2ccccc21 ZINC000055030652 523940368 /nfs/dbraw/zinc/94/03/68/523940368.db2.gz PPBBXBHZMYMNGJ-CQSZACIVSA-N 0 3 275.348 2.118 10 0 CEAEHN COCCNCc1cc(OC)ccc1OCC(F)F ZINC000062727678 523949755 /nfs/dbraw/zinc/94/97/55/523949755.db2.gz IOUNDLSSRIYNJM-UHFFFAOYSA-N 0 3 275.295 2.075 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000055068932 523955202 /nfs/dbraw/zinc/95/52/02/523955202.db2.gz AYPCHAFNXCBDRO-RDJZCZTQSA-N 0 3 276.424 2.310 10 0 CEAEHN COCCNCc1ccccc1N1CCC(OC)CC1 ZINC000062735598 523955788 /nfs/dbraw/zinc/95/57/88/523955788.db2.gz DTDUECSBFFRGKW-UHFFFAOYSA-N 0 3 278.396 2.038 10 0 CEAEHN COCCNCc1cnc(-c2ccc(F)cc2)nc1 ZINC000054856831 523957077 /nfs/dbraw/zinc/95/70/77/523957077.db2.gz DAGBZEHEMFMWEY-UHFFFAOYSA-N 0 3 261.300 2.019 10 0 CEAEHN CC[C@H](C)N1CCN(c2nc(C)cc(C)c2CO)CC1 ZINC000055069079 523962221 /nfs/dbraw/zinc/96/22/21/523962221.db2.gz UJMFDXUQWOGORF-AWEZNQCLSA-N 0 3 277.412 2.111 10 0 CEAEHN COc1ccc(CN[C@H]2C[C@@H]2C)c(OC)c1OC ZINC000052269477 524094656 /nfs/dbraw/zinc/09/46/56/524094656.db2.gz GPOLHSYXBHZSRR-ONGXEEELSA-N 0 3 251.326 2.210 10 0 CEAEHN Cc1cc(C)c(C(=O)N2[C@H](C)CNC[C@H]2C)c(C)c1 ZINC000069133034 524230071 /nfs/dbraw/zinc/23/00/71/524230071.db2.gz QJIXGEHFDMZQEP-ZIAGYGMSSA-N 0 3 260.381 2.434 10 0 CEAEHN C[C@H](CN1CCCC1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601139 524313023 /nfs/dbraw/zinc/31/30/23/524313023.db2.gz LYFGAZIOMMFRQY-MCIONIFRSA-N 0 3 250.386 2.057 10 0 CEAEHN Cc1ccc(CN(C)c2ccnc(C(=N)N)c2)cc1 ZINC000061814041 524401199 /nfs/dbraw/zinc/40/11/99/524401199.db2.gz XOUVMRCOIQEBLP-UHFFFAOYSA-N 0 3 254.337 2.310 10 0 CEAEHN Cc1cc(C)cc(NS(=O)(=O)C[C@H]2CCCCN2)c1 ZINC000049630851 524438378 /nfs/dbraw/zinc/43/83/78/524438378.db2.gz PDEHIMMHFLGGGE-CYBMUJFWSA-N 0 3 282.409 2.187 10 0 CEAEHN Cc1cc(C)cc(NS(=O)(=O)C[C@@H]2CCCCN2)c1 ZINC000049630850 524438660 /nfs/dbraw/zinc/43/86/60/524438660.db2.gz PDEHIMMHFLGGGE-ZDUSSCGKSA-N 0 3 282.409 2.187 10 0 CEAEHN Cc1ccc(CN2CCN(CC(C)C)CC2)cc1N ZINC000055083689 524457561 /nfs/dbraw/zinc/45/75/61/524457561.db2.gz HWGSWRIUMFJZFV-UHFFFAOYSA-N 0 3 261.413 2.351 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2NCCC[C@@H]2C)c(C)c1 ZINC000061568493 524601398 /nfs/dbraw/zinc/60/13/98/524601398.db2.gz GWHYXNKJWRKSNU-IINYFYTJSA-N 0 3 262.353 2.330 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(=O)[O-])[NH+]1CCC(C)(C)CC1 ZINC000068643196 524632066 /nfs/dbraw/zinc/63/20/66/524632066.db2.gz QFSFYMKUHDDYIY-MLGOLLRUSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)Nc1ccccc1F ZINC000069133500 524696065 /nfs/dbraw/zinc/69/60/65/524696065.db2.gz FOCLJMWNULVWOM-UWVGGRQHSA-N 0 3 251.305 2.040 10 0 CEAEHN Cc1cc(CO)ccc1N1CCN(CC2CC2)CC1 ZINC000050561060 524795017 /nfs/dbraw/zinc/79/50/17/524795017.db2.gz ZRTQBKWNPHBNOM-UHFFFAOYSA-N 0 3 260.381 2.019 10 0 CEAEHN Cc1ccc(F)c([C@@]([O-])([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784287 524836307 /nfs/dbraw/zinc/83/63/07/524836307.db2.gz KMKBGQKHOHWQSY-XCBNKYQSSA-N 0 3 251.223 2.231 10 0 CEAEHN COc1ccc(OC)c(CN[C@H](CN(C)C)C(C)C)c1 ZINC000049196513 524840334 /nfs/dbraw/zinc/84/03/34/524840334.db2.gz ZYDAMKQOBQUZIB-OAHLLOKOSA-N 0 3 280.412 2.380 10 0 CEAEHN C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)[C@H](C)CN1 ZINC000062665702 524849414 /nfs/dbraw/zinc/84/94/14/524849414.db2.gz NDOYRQPLCYHOJH-RKDXNWHRSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@H]([NH3+])[C@]([O-])(c1cnc2ccccc2c1)C(F)(F)F ZINC000062784201 524861642 /nfs/dbraw/zinc/86/16/42/524861642.db2.gz QKDDWJIFYXKEIC-UFBFGSQYSA-N 0 3 270.254 2.332 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@@H+]1CCC[C@@H](C)CC1 ZINC000068646902 524863957 /nfs/dbraw/zinc/86/39/57/524863957.db2.gz HWKWUGGVSITHHS-WWGRRREGSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@H+]1CCC[C@@H](C)CC1 ZINC000068646902 524863970 /nfs/dbraw/zinc/86/39/70/524863970.db2.gz HWKWUGGVSITHHS-WWGRRREGSA-N 0 3 282.428 2.482 10 0 CEAEHN COc1ccc(O[C@H]2CCOC2=O)c(CNC(C)(C)C)c1 ZINC000062727556 524990857 /nfs/dbraw/zinc/99/08/57/524990857.db2.gz NTARTQMEKRYJFR-AWEZNQCLSA-N 0 3 293.363 2.278 10 0 CEAEHN Cc1cc(F)ccc1NC(=O)c1ccnc(NN)c1 ZINC000051112530 524996021 /nfs/dbraw/zinc/99/60/21/524996021.db2.gz TZYUJVHOBJSEAK-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN Cc1cc(F)ccc1NC(=O)c1cc[nH]c(=NN)c1 ZINC000051112530 524996031 /nfs/dbraw/zinc/99/60/31/524996031.db2.gz TZYUJVHOBJSEAK-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN C[C@@H](N)c1ccc(F)cc1OCCCC(=O)N(C)C ZINC000062745303 525026133 /nfs/dbraw/zinc/02/61/33/525026133.db2.gz GHXZEYSIXWPXOS-SNVBAGLBSA-N 0 3 268.332 2.093 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000062709361 525055611 /nfs/dbraw/zinc/05/56/11/525055611.db2.gz IXPANOBXWRQBCA-RWEMILLDSA-N 0 3 288.313 2.213 10 0 CEAEHN Cc1ccc(NC(=O)CN[C@H](C)CN2CCCC2)cc1 ZINC000049180361 525064602 /nfs/dbraw/zinc/06/46/02/525064602.db2.gz OFINCFDVKPXMNL-CQSZACIVSA-N 0 3 275.396 2.007 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Cc1ccccc1Cl ZINC000069133272 525096224 /nfs/dbraw/zinc/09/62/24/525096224.db2.gz PMHANHAVHRLUNO-GHMZBOCLSA-N 0 3 266.772 2.091 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccccc1Cl ZINC000069132839 525097947 /nfs/dbraw/zinc/09/79/47/525097947.db2.gz QERIZNRIJNKLFR-NXEZZACHSA-N 0 3 252.745 2.162 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc(F)cc1Cl ZINC000069133203 525098101 /nfs/dbraw/zinc/09/81/01/525098101.db2.gz MTOVZFXVTKQKJL-RKDXNWHRSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)Cc1ccc(Cl)cc1 ZINC000069132840 525099533 /nfs/dbraw/zinc/09/95/33/525099533.db2.gz SDNGVDFHGLJAJP-PHIMTYICSA-N 0 3 266.772 2.091 10 0 CEAEHN COc1ccc([C@@H](N)[C@@H]2CCCCO2)c(OC)c1OC ZINC000050962774 525190138 /nfs/dbraw/zinc/19/01/38/525190138.db2.gz ARKWOVPVBKRYLO-WCQYABFASA-N 0 3 281.352 2.281 10 0 CEAEHN Cc1ccc(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)cc1 ZINC000068653505 525470755 /nfs/dbraw/zinc/47/07/55/525470755.db2.gz BIVJDVVDULJDRB-MLGOLLRUSA-N 0 3 276.380 2.148 10 0 CEAEHN C[C@@H](NS(=O)(=O)c1cccc(CN)c1)C1CCCCC1 ZINC000052341338 525578213 /nfs/dbraw/zinc/57/82/13/525578213.db2.gz JLCHBORBRONRHM-GFCCVEGCSA-N 0 3 296.436 2.392 10 0 CEAEHN COc1cccc(CNC(C)(C)C)c1OC[C@@H](C)C(N)=O ZINC000062732213 526008428 /nfs/dbraw/zinc/00/84/28/526008428.db2.gz QCOXPNUZTXLEIK-LLVKDONJSA-N 0 3 294.395 2.084 10 0 CEAEHN COc1cccc(N(C)Cc2cccnc2CN)c1 ZINC000061656896 526132145 /nfs/dbraw/zinc/13/21/45/526132145.db2.gz RZSHFFPAMCOHHW-UHFFFAOYSA-N 0 3 257.337 2.185 10 0 CEAEHN C[C@H](C(=O)c1ccc(F)cc1)N1CCC[C@@H]1CN(C)C ZINC000061645704 526190796 /nfs/dbraw/zinc/19/07/96/526190796.db2.gz MVZJQZWYZOFMFI-IUODEOHRSA-N 0 3 278.371 2.423 10 0 CEAEHN Cc1ccc(C(C)C)c(O[C@@H](C)C[C@@](C)(N)C(N)=O)c1 ZINC000068655717 526248539 /nfs/dbraw/zinc/24/85/39/526248539.db2.gz OPUCRHQPHUCGIE-BLLLJJGKSA-N 0 3 278.396 2.479 10 0 CEAEHN Cc1ccc(C(C)C)c(O[C@H](C)C[C@@](C)(N)C(N)=O)c1 ZINC000068655718 526249793 /nfs/dbraw/zinc/24/97/93/526249793.db2.gz OPUCRHQPHUCGIE-MLGOLLRUSA-N 0 3 278.396 2.479 10 0 CEAEHN Cc1nn([C@H](CN)c2cccnc2)c(C)c1Br ZINC000050589172 526306477 /nfs/dbraw/zinc/30/64/77/526306477.db2.gz HTJYWMMCNIHNHT-LLVKDONJSA-N 0 3 295.184 2.206 10 0 CEAEHN c1nc(N2CCO[C@@H]3CCC[C@@H]32)sc1CNC1CC1 ZINC000054907060 526602297 /nfs/dbraw/zinc/60/22/97/526602297.db2.gz BLIYGAKMIPGVBZ-QWHCGFSZSA-N 0 3 279.409 2.153 10 0 CEAEHN Cc1nc(C)n([C@@H](CNC2CC2)c2ccccc2)n1 ZINC000052574535 526765102 /nfs/dbraw/zinc/76/51/02/526765102.db2.gz PNFFZCCNKVCRJA-HNNXBMFYSA-N 0 3 256.353 2.236 10 0 CEAEHN Cc1oc(CNC(C)C)cc1CN1CCO[C@@H](C)C1 ZINC000052382714 526775011 /nfs/dbraw/zinc/77/50/11/526775011.db2.gz WLWLBDMUXBYENU-LBPRGKRZSA-N 0 3 266.385 2.307 10 0 CEAEHN Cc1nc(CN(C)C(=O)c2ccc3c(c2)CNC3)cs1 ZINC000156745510 526838103 /nfs/dbraw/zinc/83/81/03/526838103.db2.gz MLSMOBRBBPPCLJ-UHFFFAOYSA-N 0 3 287.388 2.327 10 0 CEAEHN Cc1nc(Cl)cc(N[C@@H](C)CN2CCCC2)n1 ZINC000052836704 526934426 /nfs/dbraw/zinc/93/44/26/526934426.db2.gz QUKIDJXEXHPFLN-VIFPVBQESA-N 0 3 254.765 2.335 10 0 CEAEHN Cc1nc(N2CCCSCC2)sc1[C@@H](C)N ZINC000054898637 526965160 /nfs/dbraw/zinc/96/51/60/526965160.db2.gz UHKVQPVTEILQIU-MRVPVSSYSA-N 0 3 257.428 2.415 10 0 CEAEHN Cc1nc(N2CCO[C@H]3CCC[C@@H]32)sc1CNC1CC1 ZINC000054999070 526972534 /nfs/dbraw/zinc/97/25/34/526972534.db2.gz JJDPXDJAZDYEHV-STQMWFEESA-N 0 3 293.436 2.461 10 0 CEAEHN NC(=S)c1c(Cl)cccc1OCCN1CCCC1 ZINC000052908531 527113315 /nfs/dbraw/zinc/11/33/15/527113315.db2.gz ZNWLSQSDTCWFCG-UHFFFAOYSA-N 0 3 284.812 2.449 10 0 CEAEHN NC[C@H](Oc1cc(F)cc(F)c1)c1ccncc1 ZINC000054932483 527229076 /nfs/dbraw/zinc/22/90/76/527229076.db2.gz DGFGLJOKRNOSQW-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN NCc1cc(CN2C(=O)CCc3ccc(F)cc32)ccn1 ZINC000068750927 527247991 /nfs/dbraw/zinc/24/79/91/527247991.db2.gz IYUKJLFJQGFPHG-UHFFFAOYSA-N 0 3 285.322 2.159 10 0 CEAEHN NCc1cccc(Br)c1OC1CCOCC1 ZINC000068955213 527259071 /nfs/dbraw/zinc/25/90/71/527259071.db2.gz MLHYZSNGWOZEAS-UHFFFAOYSA-N 0 3 286.169 2.466 10 0 CEAEHN NCc1coc(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000052418218 527264652 /nfs/dbraw/zinc/26/46/52/527264652.db2.gz DUDLWBKMUSKHHA-UHFFFAOYSA-N 0 3 289.354 2.200 10 0 CEAEHN NCc1sc2cccc(F)c2c1CN1CCOCC1 ZINC000052377809 527268883 /nfs/dbraw/zinc/26/88/83/527268883.db2.gz OFLBHSGTJXDIGA-UHFFFAOYSA-N 0 3 280.368 2.331 10 0 CEAEHN Cc1ncc(CNC[C@@H]2CNc3ccccc3O2)s1 ZINC000049538900 527270001 /nfs/dbraw/zinc/27/00/01/527270001.db2.gz ZUUFFKNZESQBTG-LLVKDONJSA-N 0 3 275.377 2.414 10 0 CEAEHN Cn1cnnc1Sc1ccc(Cl)cc1CN ZINC000052858711 527529595 /nfs/dbraw/zinc/52/95/95/527529595.db2.gz WMMVYELAFOJNRG-UHFFFAOYSA-N 0 3 254.746 2.078 10 0 CEAEHN Cc1nn(C)c(-n2ccc(C(C)C)n2)c1CNC1CC1 ZINC000052884887 527596794 /nfs/dbraw/zinc/59/67/94/527596794.db2.gz IPEGNKFYHUNXNW-UHFFFAOYSA-N 0 3 273.384 2.290 10 0 CEAEHN OC[C@H](NC[C@@H]1CCCO1)c1cccc2cccnc21 ZINC000069504729 527608967 /nfs/dbraw/zinc/60/89/67/527608967.db2.gz WFQURJXNJXWUQF-ZFWWWQNUSA-N 0 3 272.348 2.037 10 0 CEAEHN O[C@@H]1CCCN(c2ccc(F)cc2CNC2CC2)C1 ZINC000048965635 527670626 /nfs/dbraw/zinc/67/06/26/527670626.db2.gz XKDRTDVNKCQLOA-CQSZACIVSA-N 0 3 264.344 2.039 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2cc(F)c(F)c(F)c2)C1 ZINC000062707715 527672042 /nfs/dbraw/zinc/67/20/42/527672042.db2.gz KEABKHNERXOYEJ-NXEZZACHSA-N 0 3 259.271 2.497 10 0 CEAEHN O[C@@H]1c2ccccc2OC[C@@H]1N1Cc2ccccc2C1 ZINC000050912090 527680602 /nfs/dbraw/zinc/68/06/02/527680602.db2.gz IFCFEQWAZLKUFI-DOTOQJQBSA-N 0 3 267.328 2.497 10 0 CEAEHN CCCC(O)(CCC)CC(=O)N[C@@H]1CCCN(CC)C1 ZINC000178517307 528009745 /nfs/dbraw/zinc/00/97/45/528009745.db2.gz WPPJPJBHCDFWSR-CQSZACIVSA-N 0 3 284.444 2.308 10 0 CEAEHN CCN(Cc1ccccn1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000176439977 528845367 /nfs/dbraw/zinc/84/53/67/528845367.db2.gz WGCRCFYCGSZFSD-HNNXBMFYSA-N 0 3 290.411 2.097 10 0 CEAEHN CCCCc1noc(CN(C)C[C@H]2CCCN2CC)n1 ZINC000175354598 529054353 /nfs/dbraw/zinc/05/43/53/529054353.db2.gz GIRAKUKJJGKQQF-CYBMUJFWSA-N 0 3 280.416 2.328 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@@H](C)C2(C)CC2)C1 ZINC000176440020 529087340 /nfs/dbraw/zinc/08/73/40/529087340.db2.gz INIUEDUJLPHQJJ-STQMWFEESA-N 0 3 267.417 2.301 10 0 CEAEHN Brc1ccc(-c2cnn3c2CNCC3)cc1 ZINC000675079579 574511803 /nfs/dbraw/zinc/51/18/03/574511803.db2.gz IMHZKOPUXXFILD-UHFFFAOYSA-N 0 3 278.153 2.416 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2ccc(Cl)nc2C)C1 ZINC000178535644 628852318 /nfs/dbraw/zinc/85/23/18/628852318.db2.gz ONFDKHPMEDNNMK-NSHDSACASA-N 0 3 281.787 2.258 10 0 CEAEHN O=C(CCC1CCCC1)N[C@H]1CN2CCC1CC2 ZINC000222585153 639383157 /nfs/dbraw/zinc/38/31/57/639383157.db2.gz NNOLJZFSVWMRBT-AWEZNQCLSA-N 0 3 250.386 2.167 10 0 CEAEHN C[C@@H](NC(=O)[C@H](N)CC1CC1)c1ccc(F)c(F)c1 ZINC000312028133 639992309 /nfs/dbraw/zinc/99/23/09/639992309.db2.gz XCODPNLELZARDM-AMIZOPFISA-N 0 3 268.307 2.269 10 0 CEAEHN CCc1ccc([C@@H](C)NC[C@H]2CCCS2(=O)=O)cc1 ZINC000126970574 651039664 /nfs/dbraw/zinc/03/96/64/651039664.db2.gz VLOWJDVXZZZWED-IUODEOHRSA-N 0 3 281.421 2.477 10 0 CEAEHN Cc1nc(CN[C@@H]2CCCC[C@H]2CO)sc1C ZINC000125016715 649778088 /nfs/dbraw/zinc/77/80/88/649778088.db2.gz FBPPLSRFGAXFRN-NWDGAFQWSA-N 0 3 254.399 2.401 10 0 CEAEHN FC1(F)CCC[C@H]1CN1CCO[C@@]2(CCCOC2)C1 ZINC000336265862 365540438 /nfs/dbraw/zinc/54/04/38/365540438.db2.gz ZLKAVAOTLWUUKL-STQMWFEESA-N 0 3 275.339 2.303 10 0 CEAEHN c1[nH]nc2cc(CN3CCN4CCCC[C@@H]4C3)ccc12 ZINC000121292523 365547227 /nfs/dbraw/zinc/54/72/27/365547227.db2.gz GAHPXWUMFBNCGE-OAHLLOKOSA-N 0 3 270.380 2.233 10 0 CEAEHN CCCC(=O)OC[C@H](O)CN(Cc1cccs1)C1CC1 ZINC000036031643 361824839 /nfs/dbraw/zinc/82/48/39/361824839.db2.gz SURNVZBQPLDYPC-CYBMUJFWSA-N 0 3 297.420 2.417 10 0 CEAEHN CC[C@@H](O)CN(CCCOC)Cc1ccccc1F ZINC000036096276 361827629 /nfs/dbraw/zinc/82/76/29/361827629.db2.gz SBNONHQECWJKNC-CQSZACIVSA-N 0 3 269.360 2.435 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000037032609 361890069 /nfs/dbraw/zinc/89/00/69/361890069.db2.gz VSICZIQIUDOUEL-JOYOIKCWSA-N 0 3 268.332 2.139 10 0 CEAEHN CC(C)(C)OC(=O)N1Cc2sccc2[C@H](N)C1 ZINC000096958592 185142397 /nfs/dbraw/zinc/14/23/97/185142397.db2.gz IZCIRLRIZXUCCD-SECBINFHSA-N 0 3 254.355 2.499 10 0 CEAEHN COc1ccc(CN2CCC[C@@H](O)[C@H]2C)cc1OC ZINC000294972934 199278130 /nfs/dbraw/zinc/27/81/30/199278130.db2.gz JFXGMWQKRZFHOC-DGCLKSJQSA-N 0 3 265.353 2.049 10 0 CEAEHN Cn1c2ccccc2cc(CNCCN2CCCCC2)c1=O ZINC000039287331 361987854 /nfs/dbraw/zinc/98/78/54/361987854.db2.gz KXXXDVLKXRWSCB-UHFFFAOYSA-N 0 3 299.418 2.114 10 0 CEAEHN CCc1ccc([C@H](C)N[C@H](C)C(=O)NCCCOC)cc1 ZINC000037980707 361970741 /nfs/dbraw/zinc/97/07/41/361970741.db2.gz LRXPFLRGKMGVRU-UONOGXRCSA-N 0 3 292.423 2.441 10 0 CEAEHN Cn1nc(CN2CCC[C@@H]2CCCO)c2ccccc21 ZINC000089178795 539031921 /nfs/dbraw/zinc/03/19/21/539031921.db2.gz VCGJLNRNZICIGQ-CYBMUJFWSA-N 0 3 273.380 2.310 10 0 CEAEHN CC(C)n1ccnc1CN[C@H]1CCCC[C@H]1CO ZINC000124994824 539212682 /nfs/dbraw/zinc/21/26/82/539212682.db2.gz CIJUTSYOOMHNNG-STQMWFEESA-N 0 3 251.374 2.105 10 0 CEAEHN CN(Cc1ccc2ccccc2n1)C[C@H](O)C1CC1 ZINC000079770102 539224252 /nfs/dbraw/zinc/22/42/52/539224252.db2.gz NFLYLFOSDYKYRJ-INIZCTEOSA-N 0 3 256.349 2.438 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000170868110 282196260 /nfs/dbraw/zinc/19/62/60/282196260.db2.gz XNAPYJDCDKXTMJ-GFCCVEGCSA-N 0 3 278.371 2.266 10 0 CEAEHN Cc1ccc([C@@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)o1 ZINC000127870595 187338681 /nfs/dbraw/zinc/33/86/81/187338681.db2.gz ZCKCOVWAIAJSLH-RYUDHWBXSA-N 0 3 299.392 2.075 10 0 CEAEHN COc1cc2c(cc1CN[C@@H]1CCC[C@H](O)C1)O[C@H](C)C2 ZINC000109133098 344266904 /nfs/dbraw/zinc/26/69/04/344266904.db2.gz IKTDYMZVPJUUPI-DFBGVHRSSA-N 0 3 291.391 2.412 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2cccc(F)c2)C1 ZINC000113267365 344276145 /nfs/dbraw/zinc/27/61/45/344276145.db2.gz NEUKAHGFVYHHTN-SWLSCSKDSA-N 0 3 266.360 2.197 10 0 CEAEHN CCN1CCO[C@H](CNCc2cc(C)cc(C)c2)C1 ZINC000134434193 344373922 /nfs/dbraw/zinc/37/39/22/344373922.db2.gz RHKQFWTZFPAWBT-MRXNPFEDSA-N 0 3 262.397 2.114 10 0 CEAEHN CCc1ccc(CNC[C@@H]2CN(CC)CCO2)cc1 ZINC000134435465 344374201 /nfs/dbraw/zinc/37/42/01/344374201.db2.gz UYAPOANUMODGFM-MRXNPFEDSA-N 0 3 262.397 2.059 10 0 CEAEHN C[C@](CN)(c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000134482965 344374855 /nfs/dbraw/zinc/37/48/55/344374855.db2.gz MXDKGSYSCRRQGS-KRWDZBQOSA-N 0 3 280.327 2.157 10 0 CEAEHN C[C@@H](NC(=O)NC[C@H]1CCCN1C)c1cccs1 ZINC000139379549 344393411 /nfs/dbraw/zinc/39/34/11/344393411.db2.gz OFQBAGCVRHCJCB-GHMZBOCLSA-N 0 3 267.398 2.203 10 0 CEAEHN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCNC[C@H]1F ZINC000147919888 344412807 /nfs/dbraw/zinc/41/28/07/344412807.db2.gz PULOLFIJJRREEK-MNOVXSKESA-N 0 3 258.337 2.086 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000170834224 344491100 /nfs/dbraw/zinc/49/11/00/344491100.db2.gz OOSZWTIUFNTJGG-MCIONIFRSA-N 0 3 267.417 2.158 10 0 CEAEHN CNCc1cc2c(s1)c(Br)cn(C)c2=O ZINC000220090146 344537522 /nfs/dbraw/zinc/53/75/22/344537522.db2.gz BAALCUBYXCYXLJ-UHFFFAOYSA-N 0 3 287.182 2.082 10 0 CEAEHN CN[C@H](CO)c1cc(Br)c(Cl)s1 ZINC000227936813 344557525 /nfs/dbraw/zinc/55/75/25/344557525.db2.gz YOENQMWJOKPVEE-RXMQYKEDSA-N 0 3 270.579 2.417 10 0 CEAEHN Cc1cccc(N2C(=O)c3ccccc3C2=O)c1CN ZINC000236012847 344593661 /nfs/dbraw/zinc/59/36/61/344593661.db2.gz UPKYHCRPENOZLE-UHFFFAOYSA-N 0 3 266.300 2.254 10 0 CEAEHN Cc1noc(C)c1[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246750871 539396706 /nfs/dbraw/zinc/39/67/06/539396706.db2.gz BJKGVQUROKPPCD-SUNKGSAMSA-N 0 3 293.411 2.240 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H](C)C(C)(C)C)C1 ZINC000246537241 344616988 /nfs/dbraw/zinc/61/69/88/344616988.db2.gz HHZZBVDKICDPAD-VXGBXAGGSA-N 0 3 255.406 2.205 10 0 CEAEHN CN(C)C[C@H](NC(=O)NCc1ccccn1)c1ccccc1 ZINC000053249321 362488851 /nfs/dbraw/zinc/48/88/51/362488851.db2.gz WAFBPDJEECWNMG-INIZCTEOSA-N 0 3 298.390 2.184 10 0 CEAEHN NCc1ccnc(OC(F)(F)F)c1Br ZINC000238690622 344607484 /nfs/dbraw/zinc/60/74/84/344607484.db2.gz KCUVUBNOEYRZJE-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN CCC[C@H](C)CN1CCN(CCOCC)[C@@H](C)C1 ZINC000252733714 344641406 /nfs/dbraw/zinc/64/14/06/344641406.db2.gz BJWCWBJOZPCNSH-GJZGRUSLSA-N 0 3 256.434 2.465 10 0 CEAEHN Cc1nnsc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000311588661 344734842 /nfs/dbraw/zinc/73/48/42/344734842.db2.gz ZLDPSQOYZFJVLD-XQQFMLRXSA-N 0 3 281.425 2.362 10 0 CEAEHN Cn1ncc([C@H](N)C(C)(C)C)c1I ZINC000306728918 344716775 /nfs/dbraw/zinc/71/67/75/344716775.db2.gz CFIXRVHJSXCPNO-ZETCQYMHSA-N 0 3 293.152 2.071 10 0 CEAEHN CC(C)=CCN(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328622076 344755815 /nfs/dbraw/zinc/75/58/15/344755815.db2.gz BAHZEGHFFUHMRQ-HOTGVXAUSA-N 0 3 292.402 2.287 10 0 CEAEHN NC[C@H](NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000083774971 178745982 /nfs/dbraw/zinc/74/59/82/178745982.db2.gz WBMUMBOHXRLBIQ-VIFPVBQESA-N 0 3 252.667 2.492 10 0 CEAEHN Cc1cc(C)c(CN2CC[C@H]3OCCN[C@H]3C2)c(C)c1 ZINC000404118363 344878434 /nfs/dbraw/zinc/87/84/34/344878434.db2.gz LXAOPEKLHYNWMC-DLBZAZTESA-N 0 3 274.408 2.175 10 0 CEAEHN CCCC[S@@](=O)C[C@H](N)c1ccc(OC)cc1 ZINC000084037928 178776778 /nfs/dbraw/zinc/77/67/78/178776778.db2.gz JANBWZGJMPUDJX-GUYCJALGSA-N 0 3 255.383 2.244 10 0 CEAEHN CN(CCCO)CCN(C)Cc1ccc(Cl)cc1 ZINC000584621225 344966978 /nfs/dbraw/zinc/96/69/78/344966978.db2.gz VHOBCUUCJPTZRW-UHFFFAOYSA-N 0 3 270.804 2.086 10 0 CEAEHN C[C@H](O)[C@]1(C)COC(C)(C)CN1Cc1ccccc1 ZINC000584645728 344972502 /nfs/dbraw/zinc/97/25/02/344972502.db2.gz CMORFXOTVLUKQA-BBRMVZONSA-N 0 3 263.381 2.437 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000054072987 362508851 /nfs/dbraw/zinc/50/88/51/362508851.db2.gz SXNRJLVIKKHFQN-NWDGAFQWSA-N 0 3 264.369 2.259 10 0 CEAEHN CN[C@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000054074968 362510661 /nfs/dbraw/zinc/51/06/61/362510661.db2.gz LGAGFSLPWPJPNN-CHWSQXEVSA-N 0 3 260.381 2.422 10 0 CEAEHN CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](C)NC ZINC000054075141 362510716 /nfs/dbraw/zinc/51/07/16/362510716.db2.gz FCVIKJJMOSJIAZ-MWLCHTKSSA-N 0 3 252.383 2.192 10 0 CEAEHN NCc1cc(F)ccc1CS(=O)(=O)C1CCCC1 ZINC000084272552 178838928 /nfs/dbraw/zinc/83/89/28/178838928.db2.gz GNDCQLJDDXISKB-UHFFFAOYSA-N 0 3 271.357 2.142 10 0 CEAEHN CCCN[C@H](COC)c1cccc2c1OCCO2 ZINC000097304431 185580684 /nfs/dbraw/zinc/58/06/84/185580684.db2.gz BCJQWZMZYPNWFP-GFCCVEGCSA-N 0 3 251.326 2.145 10 0 CEAEHN CCO[C@H](CN)c1ccc(OC)c(OC)c1Cl ZINC000097328971 185585505 /nfs/dbraw/zinc/58/55/05/185585505.db2.gz LZMYTRRHVXWFEU-SNVBAGLBSA-N 0 3 259.733 2.394 10 0 CEAEHN CC[C@@H](C)n1ccc(Cn2nc(C)c(CN)c2C)n1 ZINC000085180988 178964801 /nfs/dbraw/zinc/96/48/01/178964801.db2.gz NQYJFLCLEWUMOL-SNVBAGLBSA-N 0 3 261.373 2.174 10 0 CEAEHN O=Cc1c(Cl)cccc1N1CCN2CCC[C@@H]2C1 ZINC000094461556 136513837 /nfs/dbraw/zinc/51/38/37/136513837.db2.gz JXJJSKGIDDZWDQ-LLVKDONJSA-N 0 3 264.756 2.437 10 0 CEAEHN CCN[C@](C)(CO)CSc1nc2ccccc2o1 ZINC000085292461 179007653 /nfs/dbraw/zinc/00/76/53/179007653.db2.gz ZDJSWXDENXIEST-CYBMUJFWSA-N 0 3 266.366 2.280 10 0 CEAEHN CCN[C@@H](CO)CSc1nc2ccccc2s1 ZINC000085298715 179009388 /nfs/dbraw/zinc/00/93/88/179009388.db2.gz LUMNUNWPULYUFP-VIFPVBQESA-N 0 3 268.407 2.359 10 0 CEAEHN CN(CCCF)C[C@@H](c1cccs1)N1CCOCC1 ZINC000128887044 365809217 /nfs/dbraw/zinc/80/92/17/365809217.db2.gz HVMPFIXHRHGEMG-ZDUSSCGKSA-N 0 3 286.416 2.413 10 0 CEAEHN Ic1cnc([C@@H]2CCCN2)s1 ZINC000085352037 179029897 /nfs/dbraw/zinc/02/98/97/179029897.db2.gz UQQLXOHUGLLGJY-YFKPBYRVSA-N 0 3 280.134 2.172 10 0 CEAEHN CC(C)c1ncc(Cl)c(C(=O)N2CC[C@@H](N(C)C)C2)n1 ZINC000062969380 362738203 /nfs/dbraw/zinc/73/82/03/362738203.db2.gz OYBQYXGSRZIZSM-SNVBAGLBSA-N 0 3 296.802 2.030 10 0 CEAEHN NCc1cnn(Cc2cc(Br)cs2)c1 ZINC000063169677 362754289 /nfs/dbraw/zinc/75/42/89/362754289.db2.gz IZMUZJUWLNDGKY-UHFFFAOYSA-N 0 3 272.171 2.214 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](C)CC2)C1 ZINC000063403279 362765916 /nfs/dbraw/zinc/76/59/16/362765916.db2.gz BOTBYRRZCWYDTK-KBPBESRZSA-N 0 3 267.417 2.302 10 0 CEAEHN COc1cc(CN[C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccn1 ZINC000085676514 179112350 /nfs/dbraw/zinc/11/23/50/179112350.db2.gz TZJDNRPHOVTYHQ-QEJZJMRPSA-N 0 3 276.380 2.383 10 0 CEAEHN CCO[C@H]1C[C@H](N[C@@H](C)C(OC)OC)C12CCCC2 ZINC000085681654 179113624 /nfs/dbraw/zinc/11/36/24/179113624.db2.gz XEVLWLRORHGHOR-AVGNSLFASA-N 0 3 271.401 2.321 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](SCC)C1 ZINC000236912613 370651543 /nfs/dbraw/zinc/65/15/43/370651543.db2.gz JSYVGZKRVUDIMV-UTUOFQBUSA-N 0 3 258.431 2.294 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@@](C)(O)C2CC2)c1C ZINC000336817438 365861134 /nfs/dbraw/zinc/86/11/34/365861134.db2.gz QIDKLMYFTFEHPF-ZUZCIYMTSA-N 0 3 265.401 2.331 10 0 CEAEHN C[C@@H]1CC[C@H](NCc2nnnn2-c2ccccc2)[C@@H]1C ZINC000086076816 179225826 /nfs/dbraw/zinc/22/58/26/179225826.db2.gz NNKBBAHLYXNTSX-BZPMIXESSA-N 0 3 271.368 2.187 10 0 CEAEHN N[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000086020261 179218117 /nfs/dbraw/zinc/21/81/17/179218117.db2.gz JYKGUWLCPPISNZ-WRWORJQWSA-N 0 3 294.203 2.428 10 0 CEAEHN CN[C@H](c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086020642 179218192 /nfs/dbraw/zinc/21/81/92/179218192.db2.gz VQKSHAPJVRXGKB-JQWIXIFHSA-N 0 3 273.423 2.060 10 0 CEAEHN CCOc1ccc(C)cc1[C@H](NC)[C@H]1CCS(=O)(=O)C1 ZINC000086022541 179218411 /nfs/dbraw/zinc/21/84/11/179218411.db2.gz TWDZSXOJBPHXOX-SWLSCSKDSA-N 0 3 297.420 2.089 10 0 CEAEHN CCN[C@H](c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086021232 179218665 /nfs/dbraw/zinc/21/86/65/179218665.db2.gz FNTQKKQOKGQCGX-KCJUWKMLSA-N 0 3 293.841 2.487 10 0 CEAEHN Cc1cc([C@@H](N)[C@@H]2CCS(=O)(=O)C2)c(C)cc1Cl ZINC000086023048 179218673 /nfs/dbraw/zinc/21/86/73/179218673.db2.gz LWECSSASPYOUMF-MFKMUULPSA-N 0 3 287.812 2.391 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000086021984 179218690 /nfs/dbraw/zinc/21/86/90/179218690.db2.gz DTILVXLOEVITHJ-IUODEOHRSA-N 0 3 297.420 2.089 10 0 CEAEHN CCOc1ccc(C)cc1[C@@H](NC)[C@H]1CCS(=O)(=O)C1 ZINC000086022547 179218817 /nfs/dbraw/zinc/21/88/17/179218817.db2.gz TWDZSXOJBPHXOX-WFASDCNBSA-N 0 3 297.420 2.089 10 0 CEAEHN C[C@H]([C@@H]1CCCO1)N1CCN[C@@](C)(c2ccccc2)C1 ZINC000086127727 179235950 /nfs/dbraw/zinc/23/59/50/179235950.db2.gz QZSYZHYYROKBPN-HYVNUMGLSA-N 0 3 274.408 2.375 10 0 CEAEHN CCn1cc(N2CCN[C@@H](c3ccccc3)C2)cn1 ZINC000086127959 179236068 /nfs/dbraw/zinc/23/60/68/179236068.db2.gz FMEBXVVEEFGWKK-OAHLLOKOSA-N 0 3 256.353 2.054 10 0 CEAEHN C[C@]1(c2ccccc2)CN(Cc2cscn2)CCN1 ZINC000086149429 179240515 /nfs/dbraw/zinc/24/05/15/179240515.db2.gz BWTRNNHOEKBKJT-OAHLLOKOSA-N 0 3 273.405 2.464 10 0 CEAEHN CCOC[C@@H](C)N1CCN[C@@](C)(c2ccccc2)C1 ZINC000086146012 179238893 /nfs/dbraw/zinc/23/88/93/179238893.db2.gz ZTPZRWXMKFBXJY-GDBMZVCRSA-N 0 3 262.397 2.232 10 0 CEAEHN Cc1cc(CN2CCN[C@](C)(c3ccccc3)C2)no1 ZINC000086146035 179239182 /nfs/dbraw/zinc/23/91/82/179239182.db2.gz ICGIJYNPPCFEGN-INIZCTEOSA-N 0 3 271.364 2.304 10 0 CEAEHN COc1ccc(CN2CCN[C@@H](c3ccccc3)C2)cn1 ZINC000086148623 179239516 /nfs/dbraw/zinc/23/95/16/179239516.db2.gz SDFLUIHMOFVWMQ-MRXNPFEDSA-N 0 3 283.375 2.237 10 0 CEAEHN COC(=O)c1cccnc1CN(CC1CC1)CC1CC1 ZINC000336829055 365892241 /nfs/dbraw/zinc/89/22/41/365892241.db2.gz FQMLQUFTYDZYPF-UHFFFAOYSA-N 0 3 274.364 2.490 10 0 CEAEHN CN(c1nc(Br)cs1)[C@@H]1CCCN(C)C1 ZINC000086290983 179265528 /nfs/dbraw/zinc/26/55/28/179265528.db2.gz QHUBFPSKGUPINC-MRVPVSSYSA-N 0 3 290.230 2.436 10 0 CEAEHN C[C@H](N)c1ccccc1NC(=O)c1ccncc1F ZINC000086316286 179269755 /nfs/dbraw/zinc/26/97/55/179269755.db2.gz GMYLRWTXIRSTDE-VIFPVBQESA-N 0 3 259.284 2.493 10 0 CEAEHN C[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3N)C[C@H](C)O1 ZINC000086442194 179293443 /nfs/dbraw/zinc/29/34/43/179293443.db2.gz YJVUAEXKRHWGJK-AEJSXWLSSA-N 0 3 267.398 2.093 10 0 CEAEHN CC[C@H]1COCCN1c1nc2c(s1)CCC[C@@H]2N ZINC000086442942 179293954 /nfs/dbraw/zinc/29/39/54/179293954.db2.gz QMKVJVVOIIFPFR-UWVGGRQHSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccccc2OC)[C@H](CC)CN1 ZINC000086445998 179295066 /nfs/dbraw/zinc/29/50/66/179295066.db2.gz JICOXGSIAVCEQB-CHWSQXEVSA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccoc2C)[C@@H](CC)CN1 ZINC000086446770 179295458 /nfs/dbraw/zinc/29/54/58/179295458.db2.gz HXMMQQKCWJDLDW-NEPJUHHUSA-N 0 3 250.342 2.191 10 0 CEAEHN CC[C@@H]1CN(C(=O)NC2CCCCC2)[C@H](CC)CN1 ZINC000086448224 179295914 /nfs/dbraw/zinc/29/59/14/179295914.db2.gz PTFOLWMJKJVOJU-TZMCWYRMSA-N 0 3 267.417 2.491 10 0 CEAEHN C[C@@H]1CN(C(=O)c2ccccc2OC(F)F)[C@@H](C)CN1 ZINC000086467275 179296975 /nfs/dbraw/zinc/29/69/75/179296975.db2.gz LNZOQZQHMJEBJX-ZJUUUORDSA-N 0 3 284.306 2.110 10 0 CEAEHN COC[C@H]1CCN([C@@H](CN)c2ccc(OC)c(Cl)c2)C1 ZINC000086595227 179310746 /nfs/dbraw/zinc/31/07/46/179310746.db2.gz YDWJBLBYIOVFLN-FZMZJTMJSA-N 0 3 298.814 2.317 10 0 CEAEHN COC[C@@H]1CCN([C@@H](CN)c2ccc(OC)c(Cl)c2)C1 ZINC000086595224 179311142 /nfs/dbraw/zinc/31/11/42/179311142.db2.gz YDWJBLBYIOVFLN-RISCZKNCSA-N 0 3 298.814 2.317 10 0 CEAEHN COCCN([C@H](CN)c1ccc(OC)c(Cl)c1)C1CC1 ZINC000086594976 179311154 /nfs/dbraw/zinc/31/11/54/179311154.db2.gz APVDIGVEOHSURR-CQSZACIVSA-N 0 3 298.814 2.459 10 0 CEAEHN CN1CCC(Nc2nc(Cl)ncc2Cl)CC1 ZINC000086621897 179311808 /nfs/dbraw/zinc/31/18/08/179311808.db2.gz CDNOLFQHPLLPHI-UHFFFAOYSA-N 0 3 261.156 2.290 10 0 CEAEHN CCN1CCC[C@](NCCOC)(c2nccs2)CC1 ZINC000086851706 179359707 /nfs/dbraw/zinc/35/97/07/179359707.db2.gz XWOUFQODTWJUKQ-CQSZACIVSA-N 0 3 283.441 2.080 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1cccc(F)c1 ZINC000086978488 179372781 /nfs/dbraw/zinc/37/27/81/179372781.db2.gz VYQWRMYRQHSUEF-LBPRGKRZSA-N 0 3 259.346 2.040 10 0 CEAEHN CCC[C@@H]1CCC[C@](NC[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000086949347 179369044 /nfs/dbraw/zinc/36/90/44/179369044.db2.gz OPBDMUBVOJBMBK-IJEWVQPXSA-N 0 3 282.428 2.360 10 0 CEAEHN C[C@@H]1SCCC[C@]1(CO)NCc1cccs1 ZINC000086968903 179370851 /nfs/dbraw/zinc/37/08/51/179370851.db2.gz YWQRXDATWZPHNF-CMPLNLGQSA-N 0 3 257.424 2.484 10 0 CEAEHN Cc1cc2ncc(CNCC3(O)CCC(C)CC3)cn2n1 ZINC000087044107 179387982 /nfs/dbraw/zinc/38/79/82/179387982.db2.gz DCHBVSSSKWWEPR-UHFFFAOYSA-N 0 3 288.395 2.069 10 0 CEAEHN N[C@H]1COC[C@@H]1c1nc2cc(Br)ccc2o1 ZINC000087049587 179388874 /nfs/dbraw/zinc/38/88/74/179388874.db2.gz CIVFDRYTFXGTON-YUMQZZPRSA-N 0 3 283.125 2.031 10 0 CEAEHN CC[C@H]1CNC[C@H](c2cc(OC)c(OC)cc2OC)O1 ZINC000087090211 179394313 /nfs/dbraw/zinc/39/43/13/179394313.db2.gz ARUPHGAXQKWUSV-ZUZCIYMTSA-N 0 3 281.352 2.152 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2ccc(OC)c(OC)c2)O1 ZINC000087090249 179394345 /nfs/dbraw/zinc/39/43/45/179394345.db2.gz WXRFZCDNLFVAEM-FZMZJTMJSA-N 0 3 251.326 2.143 10 0 CEAEHN Cc1ccccc1NC(=O)CNC[C@@]1(O)CCC[C@H](C)C1 ZINC000087065621 179390063 /nfs/dbraw/zinc/39/00/63/179390063.db2.gz SUSFALXEEAFXAH-SUMWQHHRSA-N 0 3 290.407 2.464 10 0 CEAEHN Cc1ccc(NC(=O)CNC[C@@]2(O)CCC[C@H](C)C2)cc1 ZINC000087064542 179390315 /nfs/dbraw/zinc/39/03/15/179390315.db2.gz MAAUJNGLBNLGNU-WMLDXEAASA-N 0 3 290.407 2.464 10 0 CEAEHN Cc1nc(C)c(CN2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000670991203 539614524 /nfs/dbraw/zinc/61/45/24/539614524.db2.gz GYHMLUBKOZYNIB-HIFRSBDPSA-N 0 3 264.369 2.418 10 0 CEAEHN OCc1ccc([C@@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000616632570 348541230 /nfs/dbraw/zinc/54/12/30/348541230.db2.gz RDJMOYHUFWBWFB-SFHVURJKSA-N 0 3 282.387 2.325 10 0 CEAEHN Nc1cccc([C@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000616633505 348541818 /nfs/dbraw/zinc/54/18/18/348541818.db2.gz YVAQEWVQVXDHJD-QGZVFWFLSA-N 0 3 267.376 2.415 10 0 CEAEHN CC(C)[C@@H]1COCCCN1CCNC(=O)OC(C)(C)C ZINC000616646439 348546072 /nfs/dbraw/zinc/54/60/72/348546072.db2.gz WHEVCZSBGDFLJQ-ZDUSSCGKSA-N 0 3 286.416 2.258 10 0 CEAEHN CC(C)(C)N1CCOCC[C@H]1c1ccccc1C(N)=O ZINC000616598321 348529028 /nfs/dbraw/zinc/52/90/28/348529028.db2.gz OZZIFDHNWIIWAM-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN CC(C)[C@H]1CCOCCN1CCNC(=O)OC(C)(C)C ZINC000616599774 348530530 /nfs/dbraw/zinc/53/05/30/348530530.db2.gz WLMWHVMERMEWEA-CYBMUJFWSA-N 0 3 286.416 2.258 10 0 CEAEHN CC(=O)Nc1ccc([C@@H]2COCCN(C(C)C)C2)cc1 ZINC000616658976 348551259 /nfs/dbraw/zinc/55/12/59/348551259.db2.gz ALAVUAPRQXOVQO-HNNXBMFYSA-N 0 3 276.380 2.469 10 0 CEAEHN OCCN1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616618431 348536021 /nfs/dbraw/zinc/53/60/21/348536021.db2.gz UWOUZMUEIQHZJN-HNNXBMFYSA-N 0 3 256.349 2.407 10 0 CEAEHN c1nc([C@H]2CCN(Cc3ccccc3)CCO2)c[nH]1 ZINC000616662199 348553041 /nfs/dbraw/zinc/55/30/41/348553041.db2.gz DKAUNPOSKHXOSG-OAHLLOKOSA-N 0 3 257.337 2.373 10 0 CEAEHN CCN[C@H](Cn1c(=O)oc2cccnc21)c1ccccc1 ZINC000088396914 179590944 /nfs/dbraw/zinc/59/09/44/179590944.db2.gz VQWMPJASSQLEJH-CYBMUJFWSA-N 0 3 283.331 2.340 10 0 CEAEHN CN[C@@H](Cc1ncnn1CC(C)C)c1cccc(C)n1 ZINC000088612240 179639394 /nfs/dbraw/zinc/63/93/94/179639394.db2.gz PWKSRSDXNUJTEX-AWEZNQCLSA-N 0 3 273.384 2.141 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(C)cc2Cl)C1 ZINC000233486946 539672112 /nfs/dbraw/zinc/67/21/12/539672112.db2.gz BAHVNITUISBRES-AWEZNQCLSA-N 0 3 282.815 2.459 10 0 CEAEHN Cn1nc(CN2CCC[C@H]2CCCO)c2ccccc21 ZINC000089178796 179743582 /nfs/dbraw/zinc/74/35/82/179743582.db2.gz VCGJLNRNZICIGQ-ZDUSSCGKSA-N 0 3 273.380 2.310 10 0 CEAEHN CCn1nc(C)cc1C[C@@H](N)c1ccccc1OC ZINC000089192440 179749120 /nfs/dbraw/zinc/74/91/20/179749120.db2.gz SUFMLQWGCAJINZ-CQSZACIVSA-N 0 3 259.353 2.463 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1cccc(Cl)c1Cl ZINC000623764749 350106220 /nfs/dbraw/zinc/10/62/20/350106220.db2.gz JKVNCWHZMNWVMR-MNOVXSKESA-N 0 3 276.163 2.233 10 0 CEAEHN CC(C)Cc1ccc(CN[C@H]2CCOC[C@@H]2O)cc1 ZINC000623765677 350106351 /nfs/dbraw/zinc/10/63/51/350106351.db2.gz VZJVGCCHXGEQLH-HOTGVXAUSA-N 0 3 263.381 2.125 10 0 CEAEHN C[C@@]1(c2nc3cc(F)ccc3s2)COC[C@H]1N ZINC000090573017 180007496 /nfs/dbraw/zinc/00/74/96/180007496.db2.gz GPONTLLWLCZPRC-ZYHUDNBSSA-N 0 3 252.314 2.051 10 0 CEAEHN CCCn1c2cc(F)ccc2nc1[C@@]1(C)COC[C@H]1N ZINC000090571859 180007801 /nfs/dbraw/zinc/00/78/01/180007801.db2.gz ILEGBBBFMFTFAB-HIFRSBDPSA-N 0 3 277.343 2.201 10 0 CEAEHN CCCn1c2ccc(F)cc2nc1[C@]1(C)COC[C@H]1N ZINC000090571722 180007986 /nfs/dbraw/zinc/00/79/86/180007986.db2.gz WBAJJIFLDQECMO-UKRRQHHQSA-N 0 3 277.343 2.201 10 0 CEAEHN C[C@@]1(c2nc(-c3ccccc3Cl)no2)COC[C@@H]1N ZINC000090573649 180008031 /nfs/dbraw/zinc/00/80/31/180008031.db2.gz LIBCORRZBFDYBP-GXFFZTMASA-N 0 3 279.727 2.005 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc3ccccc3c2)COC[C@H]1N ZINC000090585809 180009417 /nfs/dbraw/zinc/00/94/17/180009417.db2.gz FAGHZMHRZGHYHB-GDBMZVCRSA-N 0 3 270.332 2.142 10 0 CEAEHN CCN(Cc1ccccc1Cl)C(=O)[C@]1(C)COC[C@@H]1N ZINC000090592299 180010580 /nfs/dbraw/zinc/01/05/80/180010580.db2.gz OQEXHZWMHXHDEE-DZGCQCFKSA-N 0 3 296.798 2.052 10 0 CEAEHN Cc1ccc(C=O)cc1OCCCCN1CCN(C)CC1 ZINC000090669013 180020010 /nfs/dbraw/zinc/02/00/10/180020010.db2.gz XZWNEXZTVBWAEA-UHFFFAOYSA-N 0 3 290.407 2.214 10 0 CEAEHN C[C@@H](O[C@H](C)C(F)(F)F)C(=O)Nc1cccc(CN)c1 ZINC000090671959 180021024 /nfs/dbraw/zinc/02/10/24/180021024.db2.gz CNNUYODNEGPQOK-RKDXNWHRSA-N 0 3 290.285 2.440 10 0 CEAEHN CCOc1ncnc(NCCN2CCC(C)CC2)c1C ZINC000090790959 180042841 /nfs/dbraw/zinc/04/28/41/180042841.db2.gz SLEORKGOENTOGN-UHFFFAOYSA-N 0 3 278.400 2.328 10 0 CEAEHN CCOc1ncnc(N[C@H](CN(C)C)C(C)C)c1C ZINC000090791055 180043134 /nfs/dbraw/zinc/04/31/34/180043134.db2.gz JRIYNIPZWWHSSK-GFCCVEGCSA-N 0 3 266.389 2.182 10 0 CEAEHN COc1ccc([C@H](C)NC[C@@H](C)[S@](C)=O)c(OC)c1 ZINC000090841832 180043276 /nfs/dbraw/zinc/04/32/76/180043276.db2.gz OOVIDSYFRNTDSL-RMDKCXRXSA-N 0 3 285.409 2.121 10 0 CEAEHN CC[C@H](NC[C@@H](C)[S@](C)=O)c1ccc2c(c1)CCO2 ZINC000090841655 180043522 /nfs/dbraw/zinc/04/35/22/180043522.db2.gz FHALJTZVHSJHKV-CILWKZBWSA-N 0 3 281.421 2.429 10 0 CEAEHN COc1ncccc1CNC[C@@H]1Cc2ccccc2O1 ZINC000090874319 180049844 /nfs/dbraw/zinc/04/98/44/180049844.db2.gz AGMHWQDSLNGBNI-AWEZNQCLSA-N 0 3 270.332 2.184 10 0 CEAEHN NCc1nn(C[C@@H]2Cc3ccccc3O2)c2ccccc12 ZINC000090877723 180052304 /nfs/dbraw/zinc/05/23/04/180052304.db2.gz KGLQGZFKKKALAL-ZDUSSCGKSA-N 0 3 279.343 2.499 10 0 CEAEHN Fc1ccc2c(c1)C[C@@H](CNCc1cccnc1)O2 ZINC000090892055 180053570 /nfs/dbraw/zinc/05/35/70/180053570.db2.gz WIWIROLTUDZZAW-AWEZNQCLSA-N 0 3 258.296 2.314 10 0 CEAEHN Cc1nn(C[C@H]2Cc3cc(F)ccc3O2)c(C)c1CN ZINC000090894370 180055670 /nfs/dbraw/zinc/05/56/70/180055670.db2.gz BZLQDVSQHGSGGA-CYBMUJFWSA-N 0 3 275.327 2.101 10 0 CEAEHN NC[C@H](c1cc2ccccc2o1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905674 180060120 /nfs/dbraw/zinc/06/01/20/180060120.db2.gz WIBNFRVBSNESCD-HZSPNIEDSA-N 0 3 272.348 2.296 10 0 CEAEHN N[C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907531 180062183 /nfs/dbraw/zinc/06/21/83/180062183.db2.gz HNQHYZWMGFYKOV-TYNCELHUSA-N 0 3 264.344 2.079 10 0 CEAEHN CCOCCCNCc1sccc1NC(C)=O ZINC000090959020 180075658 /nfs/dbraw/zinc/07/56/58/180075658.db2.gz IJMODOMNYYHJRY-UHFFFAOYSA-N 0 3 256.371 2.223 10 0 CEAEHN C[C@H](NCc1ccccc1N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000090962095 180076326 /nfs/dbraw/zinc/07/63/26/180076326.db2.gz QMBDVMOPLSARJQ-JTQLQIEISA-N 0 3 282.347 2.289 10 0 CEAEHN CCN1CCC[C@H](NCc2ccccc2NC(C)=O)C1 ZINC000090962324 180076340 /nfs/dbraw/zinc/07/63/40/180076340.db2.gz KUFPAUAYFBTOKX-HNNXBMFYSA-N 0 3 275.396 2.219 10 0 CEAEHN NC[C@@H](NC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000090987170 180080974 /nfs/dbraw/zinc/08/09/74/180080974.db2.gz LLLBIANNMXJUOT-HZPDHXFCSA-N 0 3 266.344 2.143 10 0 CEAEHN CCNCc1cccn1CC(=O)Nc1ccc(F)cc1 ZINC000090996046 180083201 /nfs/dbraw/zinc/08/32/01/180083201.db2.gz WVXGTAHULKZUQX-UHFFFAOYSA-N 0 3 275.327 2.375 10 0 CEAEHN CCn1c(C[C@@H]2CSCCN2)nc2cc(F)ccc21 ZINC000091128526 180100552 /nfs/dbraw/zinc/10/05/52/180100552.db2.gz KBFHSCNOYGRNKK-LLVKDONJSA-N 0 3 279.384 2.443 10 0 CEAEHN CN[C@@H]1CCCc2nc(-c3cncn3C3CC3)ncc21 ZINC000091274876 180119098 /nfs/dbraw/zinc/11/90/98/180119098.db2.gz YLNQXMIRWXMRJI-GFCCVEGCSA-N 0 3 269.352 2.272 10 0 CEAEHN CN(CC1CCCC1)[C@H](CN)c1cncn1C1CC1 ZINC000091276566 180119649 /nfs/dbraw/zinc/11/96/49/180119649.db2.gz UVQUMFFCUCDSFA-CQSZACIVSA-N 0 3 262.401 2.340 10 0 CEAEHN CCC1CCN([C@@H](CN)c2cncn2C2CC2)CC1 ZINC000091276335 180120411 /nfs/dbraw/zinc/12/04/11/180120411.db2.gz GCEJQFRTUNPCSJ-AWEZNQCLSA-N 0 3 262.401 2.340 10 0 CEAEHN Fc1cccc2c1nc(C[C@@H]1CNCCO1)n2C1CC1 ZINC000091293293 180124337 /nfs/dbraw/zinc/12/43/37/180124337.db2.gz HRVVPEXSMPMXIH-LLVKDONJSA-N 0 3 275.327 2.041 10 0 CEAEHN CC[C@@H]1CCC[C@H](c2noc(C[C@@H]3CNCCO3)n2)C1 ZINC000091295191 180124748 /nfs/dbraw/zinc/12/47/48/180124748.db2.gz KQFPODMCMWANRK-FRRDWIJNSA-N 0 3 279.384 2.284 10 0 CEAEHN O=C(C[C@H]1CNCCO1)Nc1ccccc1C(F)(F)F ZINC000091298921 180125434 /nfs/dbraw/zinc/12/54/34/180125434.db2.gz XKWVROXSFYPNMD-VIFPVBQESA-N 0 3 288.269 2.022 10 0 CEAEHN OC1CC(NCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000091429337 180153004 /nfs/dbraw/zinc/15/30/04/180153004.db2.gz WBNPTWDVGUWLSV-UHFFFAOYSA-N 0 3 283.755 2.114 10 0 CEAEHN CNCc1cncc(Oc2cccc(F)c2F)n1 ZINC000091435232 180154312 /nfs/dbraw/zinc/15/43/12/180154312.db2.gz GPYMTPPYYJOHHH-UHFFFAOYSA-N 0 3 251.236 2.267 10 0 CEAEHN CN(Cc1cc2ccccc2nc1N)CC1CC(O)C1 ZINC000091451229 180159278 /nfs/dbraw/zinc/15/92/78/180159278.db2.gz GOLJYVWGJCZZSP-UHFFFAOYSA-N 0 3 271.364 2.020 10 0 CEAEHN CSC1(C(N)=S)CCN(Cc2ccncc2)CC1 ZINC000091478104 180166080 /nfs/dbraw/zinc/16/60/80/180166080.db2.gz PVQIFDWJVSJFDS-UHFFFAOYSA-N 0 3 281.450 2.065 10 0 CEAEHN CN[C@@H]1CCN(c2cc(C(F)(F)F)ccc2C)C1=O ZINC000091480235 180166708 /nfs/dbraw/zinc/16/67/08/180166708.db2.gz OJUCSEPKRCFZDK-SNVBAGLBSA-N 0 3 272.270 2.339 10 0 CEAEHN CN(C)[C@H]1CCCN(CC(=O)c2ccc(F)cc2F)C1 ZINC000091395582 180146193 /nfs/dbraw/zinc/14/61/93/180146193.db2.gz LANITUDOUBICNH-LBPRGKRZSA-N 0 3 282.334 2.174 10 0 CEAEHN COCCN(CC(C)C)c1cncc(CNC(C)(C)C)n1 ZINC000091419956 180150960 /nfs/dbraw/zinc/15/09/60/180150960.db2.gz QGAIBOLLVBPSMN-UHFFFAOYSA-N 0 3 294.443 2.474 10 0 CEAEHN CCOc1ccccc1[C@H](N)C(C)(C)N1CCOCC1 ZINC000091566359 180193900 /nfs/dbraw/zinc/19/39/00/180193900.db2.gz QAQVUSRLQHUIBL-HNNXBMFYSA-N 0 3 278.396 2.196 10 0 CEAEHN CN[C@@H](c1cc(C)ccc1OC)C(C)(C)N1CCOCC1 ZINC000091566740 180194704 /nfs/dbraw/zinc/19/47/04/180194704.db2.gz YHJXSDVUJFHOPQ-INIZCTEOSA-N 0 3 292.423 2.375 10 0 CEAEHN CCCn1ncnc1CC(=O)[C@@](C)(CC)N(CC)CC ZINC000091572678 180196323 /nfs/dbraw/zinc/19/63/23/180196323.db2.gz UWXCZQZXERYJPT-OAHLLOKOSA-N 0 3 280.416 2.310 10 0 CEAEHN CC(C)c1nn(C)c(N[C@@H](C)CN2CCCCC2)c1N ZINC000091584024 180199708 /nfs/dbraw/zinc/19/97/08/180199708.db2.gz WDKVUBZBYQJWFD-LBPRGKRZSA-N 0 3 279.432 2.412 10 0 CEAEHN CCN[C@@H](c1cnccn1)[C@](C)(CC)N1CCCC1 ZINC000091607191 180204763 /nfs/dbraw/zinc/20/47/63/180204763.db2.gz SXCKZMOIHAGAKF-GJZGRUSLSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@](C)([C@H](NC)c1cncnc1)N1CCCCC1 ZINC000091609654 180205947 /nfs/dbraw/zinc/20/59/47/180205947.db2.gz WACQUKVVJCWXCL-HUUCEWRRSA-N 0 3 262.401 2.392 10 0 CEAEHN CCN[C@H](c1ccoc1)[C@](C)(CC)N1CCOCC1 ZINC000091612981 180206998 /nfs/dbraw/zinc/20/69/98/180206998.db2.gz NMIIJGGWIZPIEL-CABCVRRESA-N 0 3 266.385 2.431 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091611926 180207154 /nfs/dbraw/zinc/20/71/54/180207154.db2.gz BXIPGYAFNCATNA-HUUCEWRRSA-N 0 3 284.350 2.466 10 0 CEAEHN CCN[C@H](c1ccco1)[C@](C)(CC)N1CCOCC1 ZINC000091612889 180207473 /nfs/dbraw/zinc/20/74/73/180207473.db2.gz KNMHUQWACNHULP-CABCVRRESA-N 0 3 266.385 2.431 10 0 CEAEHN Nc1cc(CC(=O)C2(N3CCCC3)CCCC2)ccn1 ZINC000091639983 180212552 /nfs/dbraw/zinc/21/25/52/180212552.db2.gz QLKDAVWHYOYYQJ-UHFFFAOYSA-N 0 3 273.380 2.184 10 0 CEAEHN CN[C@@H](c1cnccn1)C1(N2CCCC2)CCCC1 ZINC000091640875 180213003 /nfs/dbraw/zinc/21/30/03/180213003.db2.gz IAIPMKQKSWIXRO-AWEZNQCLSA-N 0 3 260.385 2.146 10 0 CEAEHN COc1cccc([C@@H](N)C2(N3CCOCC3)CCCC2)c1 ZINC000091642886 180214170 /nfs/dbraw/zinc/21/41/70/180214170.db2.gz GSKCBJMFSFBFPK-MRXNPFEDSA-N 0 3 290.407 2.340 10 0 CEAEHN N[C@H](c1ccccc1F)C1(N2CCOCC2)CCCC1 ZINC000091642968 180214235 /nfs/dbraw/zinc/21/42/35/180214235.db2.gz JTIXGCAZPRSKBS-OAHLLOKOSA-N 0 3 278.371 2.471 10 0 CEAEHN CCN1CCC[C@H](Nc2nc(Cl)ncc2C)C1 ZINC000091658471 180218364 /nfs/dbraw/zinc/21/83/64/180218364.db2.gz DOTOYSDSGPMXNO-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN Cc1cnc(Cl)nc1NC[C@H]1CCCN(C)C1 ZINC000091658751 180218747 /nfs/dbraw/zinc/21/87/47/180218747.db2.gz CSDQQIYBCMNMAT-SNVBAGLBSA-N 0 3 254.765 2.192 10 0 CEAEHN O=C(CCN[C@@H]1CCCc2cccnc21)N1CCCC1 ZINC000091660325 180218839 /nfs/dbraw/zinc/21/88/39/180218839.db2.gz GBGDQHPABUYZMZ-CQSZACIVSA-N 0 3 273.380 2.061 10 0 CEAEHN CC[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccco1 ZINC000091662292 180219509 /nfs/dbraw/zinc/21/95/09/180219509.db2.gz ALZTVOLRKGUFSL-MCIONIFRSA-N 0 3 264.369 2.184 10 0 CEAEHN Cc1nc(Cl)c(C)c(NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091677198 180225457 /nfs/dbraw/zinc/22/54/57/180225457.db2.gz VJBGBPGVBVHYRL-NEPJUHHUSA-N 0 3 296.802 2.022 10 0 CEAEHN CN[C@H](c1ccccc1C(F)(F)F)[C@H]1CN(C)CCO1 ZINC000091717729 180232874 /nfs/dbraw/zinc/23/28/74/180232874.db2.gz YMXOENWVMLLFDP-CHWSQXEVSA-N 0 3 288.313 2.297 10 0 CEAEHN CCCN[C@H](c1cccc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719203 180234254 /nfs/dbraw/zinc/23/42/54/180234254.db2.gz YCTDZZWNFQSUGW-JKSUJKDBSA-N 0 3 262.397 2.366 10 0 CEAEHN N[C@H](c1cnc2ccccc2c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720622 180236589 /nfs/dbraw/zinc/23/65/89/180236589.db2.gz XUOXLWZKRXNQLW-HYVNUMGLSA-N 0 3 283.375 2.098 10 0 CEAEHN N[C@H](Cc1ccc(Cl)s1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720496 180236773 /nfs/dbraw/zinc/23/67/73/180236773.db2.gz UNERCHWNKACLOX-YUSALJHKSA-N 0 3 286.828 2.135 10 0 CEAEHN CC(C)Oc1ccc([C@H](C)N[C@H]2CCOC[C@H]2O)cc1 ZINC000624235877 350239495 /nfs/dbraw/zinc/23/94/95/350239495.db2.gz RFCIZFXUWXNIOA-VBNZEHGJSA-N 0 3 279.380 2.274 10 0 CEAEHN CCCOc1ccc([C@H](C)N[C@H]2CCOC[C@@H]2O)cc1 ZINC000624236154 350239723 /nfs/dbraw/zinc/23/97/23/350239723.db2.gz XGXFRVPLUDJBEU-RCBQFDQVSA-N 0 3 279.380 2.276 10 0 CEAEHN Cc1ccc(C)n1NC(=O)[C@H]1CNCc2ccccc21 ZINC000091795690 180258036 /nfs/dbraw/zinc/25/80/36/180258036.db2.gz KMJDVPQTOBYEOP-HNNXBMFYSA-N 0 3 269.348 2.062 10 0 CEAEHN CCn1nc(C)cc1CN(C)C1CCC2(CC1)OCCO2 ZINC000091853524 180273414 /nfs/dbraw/zinc/27/34/14/180273414.db2.gz JLFVHHIOOJDZCY-UHFFFAOYSA-N 0 3 293.411 2.329 10 0 CEAEHN COc1cccc(CN(C)C2CCC3(CC2)OCCO3)n1 ZINC000091853617 180273851 /nfs/dbraw/zinc/27/38/51/180273851.db2.gz SOZZTDKTXFEXLN-UHFFFAOYSA-N 0 3 292.379 2.208 10 0 CEAEHN C[NH2+]C1CCC(N(C)C(=O)c2cccc(OC)c2[O-])CC1 ZINC000091854532 180274468 /nfs/dbraw/zinc/27/44/68/180274468.db2.gz XJGKHFOOWIIMLK-UHFFFAOYSA-N 0 3 292.379 2.003 10 0 CEAEHN CNCc1nc(C)ccc1OC[C@H]1Cc2ccccc2O1 ZINC000091994528 180300869 /nfs/dbraw/zinc/30/08/69/180300869.db2.gz FYRPMNYMDKVCHG-CQSZACIVSA-N 0 3 284.359 2.492 10 0 CEAEHN CNCc1nc(C)ccc1OCc1c(C)noc1C ZINC000091994579 180301512 /nfs/dbraw/zinc/30/15/12/180301512.db2.gz UBAMLPBNSXDSJF-UHFFFAOYSA-N 0 3 261.325 2.293 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@@H](C)C(=O)N[C@H](C)CC ZINC000091994793 180301567 /nfs/dbraw/zinc/30/15/67/180301567.db2.gz XYTQGEBCMVXICO-YPMHNXCESA-N 0 3 293.411 2.182 10 0 CEAEHN CC[C@@H](O)COc1ccc(C)nc1CNCC(C)C ZINC000091996386 180301765 /nfs/dbraw/zinc/30/17/65/180301765.db2.gz JWYIKDMPGYTPJO-CYBMUJFWSA-N 0 3 266.385 2.285 10 0 CEAEHN COCCOCCOc1ccc(C)nc1CNCC(C)C ZINC000091996361 180301882 /nfs/dbraw/zinc/30/18/82/180301882.db2.gz MPTLSJMPSWMRRM-UHFFFAOYSA-N 0 3 296.411 2.177 10 0 CEAEHN COCCOCCOc1ccc(C)nc1CNC(C)(C)C ZINC000091996074 180302290 /nfs/dbraw/zinc/30/22/90/180302290.db2.gz ZWOSAMLRCGWVHM-UHFFFAOYSA-N 0 3 296.411 2.320 10 0 CEAEHN CCCN[C@H](c1c(C)ccnc1N)C(C)(C)OC ZINC000092140002 180333717 /nfs/dbraw/zinc/33/37/17/180333717.db2.gz YNUKOAXMEUSFEV-GFCCVEGCSA-N 0 3 251.374 2.438 10 0 CEAEHN CN[C@@H](c1ccc(OC)cc1OC)C(C)(C)OC ZINC000092138828 180333791 /nfs/dbraw/zinc/33/37/91/180333791.db2.gz HSZRVZZCHLJVNV-ZDUSSCGKSA-N 0 3 253.342 2.389 10 0 CEAEHN Cc1cc(N)ccc1NC(=O)CN1C[C@H](C)[C@@H](C)C1 ZINC000092080680 180318888 /nfs/dbraw/zinc/31/88/88/180318888.db2.gz ZNRAWKCGIUCDKB-RYUDHWBXSA-N 0 3 261.369 2.104 10 0 CEAEHN CCCNCc1c(C)nn(C)c1N1C[C@H](C)[C@@H](C)C1 ZINC000092086765 180320372 /nfs/dbraw/zinc/32/03/72/180320372.db2.gz UIPXEYFCWDNXIN-RYUDHWBXSA-N 0 3 264.417 2.320 10 0 CEAEHN C[C@@H]1CN(c2ncc(CNC3CC3)s2)C[C@H]1C ZINC000092089673 180321160 /nfs/dbraw/zinc/32/11/60/180321160.db2.gz MSENHKCNDFNZQO-NXEZZACHSA-N 0 3 251.399 2.487 10 0 CEAEHN CCCN[C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccccc1 ZINC000092094013 180322782 /nfs/dbraw/zinc/32/27/82/180322782.db2.gz ABUUGRJCLLRALI-VNHYZAJKSA-N 0 3 288.391 2.368 10 0 CEAEHN CNCc1c(C)nn(C[C@@H]2COc3ccccc32)c1C ZINC000092304770 180360114 /nfs/dbraw/zinc/36/01/14/180360114.db2.gz BBAXIIFJRIZDDE-CYBMUJFWSA-N 0 3 271.364 2.396 10 0 CEAEHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(C)(C)O)C1 ZINC000106385219 186111311 /nfs/dbraw/zinc/11/13/11/186111311.db2.gz GXAZONNPVXFRAK-LBPRGKRZSA-N 0 3 286.416 2.089 10 0 CEAEHN CCNc1cccc(CN(CCCO)C(C)C)n1 ZINC000092370044 180370158 /nfs/dbraw/zinc/37/01/58/180370158.db2.gz YGVXNJHTPIFGIM-UHFFFAOYSA-N 0 3 251.374 2.106 10 0 CEAEHN COc1ccc2c(c1)[C@@H](NCC(OC)OC)CCC2 ZINC000092383683 180372879 /nfs/dbraw/zinc/37/28/79/180372879.db2.gz YPMVUPKJLVRNQK-AWEZNQCLSA-N 0 3 265.353 2.281 10 0 CEAEHN NNc1nc(-c2ccc(O)cc2)nc2c1CCCC2 ZINC000106865764 186144759 /nfs/dbraw/zinc/14/47/59/186144759.db2.gz WYNKOXQLGWEQDI-UHFFFAOYSA-N 0 3 256.309 2.014 10 0 CEAEHN CC(C)[C@H]1CSC(NCCN2CCCCC2)=N1 ZINC000092402441 180377441 /nfs/dbraw/zinc/37/74/41/180377441.db2.gz GNNPAVSLILMATE-GFCCVEGCSA-N 0 3 255.431 2.189 10 0 CEAEHN CCN[C@@H]1c2cc(OC)ccc2CC[C@@H]1n1cncn1 ZINC000092386011 180373589 /nfs/dbraw/zinc/37/35/89/180373589.db2.gz HBDKNCLRJNAEAU-LSDHHAIUSA-N 0 3 272.352 2.125 10 0 CEAEHN COC[C@H](C)O[C@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092386848 180373652 /nfs/dbraw/zinc/37/36/52/180373652.db2.gz BZAGYTPUZCCUJG-LKTVYLICSA-N 0 3 265.353 2.061 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](N1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000092385167 180373828 /nfs/dbraw/zinc/37/38/28/180373828.db2.gz MOYDJUFDORPPDQ-AWBCAMRRSA-N 0 3 290.407 2.119 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@@H]1OC[C@@H]1CCCO1 ZINC000092386456 180373901 /nfs/dbraw/zinc/37/39/01/180373901.db2.gz ZVQRIRDYEWZEIX-BHYGNILZSA-N 0 3 291.391 2.466 10 0 CEAEHN CCCCCN(CCCCC)C(=O)CNCCOC ZINC000092495902 180397850 /nfs/dbraw/zinc/39/78/50/180397850.db2.gz INPJRZWZLFECGW-UHFFFAOYSA-N 0 3 272.433 2.431 10 0 CEAEHN CN[C@H](Cc1nc(-c2cnccn2)no1)c1ccccc1 ZINC000109507089 186257541 /nfs/dbraw/zinc/25/75/41/186257541.db2.gz VXUNZHQHMPFMHW-GFCCVEGCSA-N 0 3 281.319 2.030 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=S)NC1CCCCC1 ZINC000109671238 186268654 /nfs/dbraw/zinc/26/86/54/186268654.db2.gz NKRGDDSWXKPRTP-CYBMUJFWSA-N 0 3 269.458 2.220 10 0 CEAEHN Cn1cnnc1CCN[C@@H]1CCSc2c(F)cccc21 ZINC000109422457 186251528 /nfs/dbraw/zinc/25/15/28/186251528.db2.gz DCUIVWMLBOXGKB-GFCCVEGCSA-N 0 3 292.383 2.323 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(C[C@@H](C)CCC)CC1 ZINC000109470184 186254602 /nfs/dbraw/zinc/25/46/02/186254602.db2.gz OGVBGBDRHLMJMA-UONOGXRCSA-N 0 3 285.501 2.495 10 0 CEAEHN NCc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000110535783 186301832 /nfs/dbraw/zinc/30/18/32/186301832.db2.gz ZTJDMRMPDVHDCD-UHFFFAOYSA-N 0 3 266.304 2.274 10 0 CEAEHN CNCc1cc2ccccc2c(O[C@H]2CCOC2)n1 ZINC000110532706 186302234 /nfs/dbraw/zinc/30/22/34/186302234.db2.gz CDTFQQYIFIGHQZ-ZDUSSCGKSA-N 0 3 258.321 2.122 10 0 CEAEHN COC[C@@H](C)Cn1c(N)nc2cc(F)c(OC)cc21 ZINC000110630031 186307614 /nfs/dbraw/zinc/30/76/14/186307614.db2.gz LKFOXGPQVZTWSY-QMMMGPOBSA-N 0 3 267.304 2.049 10 0 CEAEHN COCCN([C@@H](CN)c1ccc(C)c(F)c1)[C@@H](C)COC ZINC000110977603 186339094 /nfs/dbraw/zinc/33/90/94/186339094.db2.gz JUEPAEZCBCJQTO-BBRMVZONSA-N 0 3 298.402 2.117 10 0 CEAEHN CC[C@H]1CN(CCNc2cccc(F)c2)CCN1C ZINC000110757378 186322172 /nfs/dbraw/zinc/32/21/72/186322172.db2.gz DPPIRRGGSSLUAE-HNNXBMFYSA-N 0 3 265.376 2.264 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=O)c1c(N)cccc1Cl ZINC000111012666 186342721 /nfs/dbraw/zinc/34/27/21/186342721.db2.gz XJXIOLSTKASPGX-JTQLQIEISA-N 0 3 281.787 2.088 10 0 CEAEHN CCCOCCOC(=O)C[C@H](N)c1ccccc1 ZINC000111106291 186352816 /nfs/dbraw/zinc/35/28/16/186352816.db2.gz UQEPKPRTWRLNGO-ZDUSSCGKSA-N 0 3 251.326 2.046 10 0 CEAEHN NCc1cc2c(nc1Sc1ccncn1)CCCC2 ZINC000111114620 186353369 /nfs/dbraw/zinc/35/33/69/186353369.db2.gz XKNVCNZZBGWKLS-UHFFFAOYSA-N 0 3 272.377 2.360 10 0 CEAEHN CCCOCCOC[C@@H](NC)c1cc(OC)ccc1OC ZINC000111108225 186354167 /nfs/dbraw/zinc/35/41/67/186354167.db2.gz HPAVQCYWYJWQGU-OAHLLOKOSA-N 0 3 297.395 2.408 10 0 CEAEHN CCCOCCOC[C@H](NC)c1cc(OC)ccc1OC ZINC000111108222 186354183 /nfs/dbraw/zinc/35/41/83/186354183.db2.gz HPAVQCYWYJWQGU-HNNXBMFYSA-N 0 3 297.395 2.408 10 0 CEAEHN CCOCCN(CC)Cc1cc(CNC(C)C)no1 ZINC000111124069 186354345 /nfs/dbraw/zinc/35/43/45/186354345.db2.gz WHMGMIDRWUSURS-UHFFFAOYSA-N 0 3 269.389 2.031 10 0 CEAEHN CCOCCN(CC)C[C@H](NC)c1cccc(OC)c1 ZINC000111118298 186355216 /nfs/dbraw/zinc/35/52/16/186355216.db2.gz FHOIHHQTWGBFQV-INIZCTEOSA-N 0 3 280.412 2.314 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1cc(F)c(F)c(F)c1 ZINC000111117775 186355352 /nfs/dbraw/zinc/35/53/52/186355352.db2.gz HZRKWFLEUZECPP-CYBMUJFWSA-N 0 3 290.329 2.462 10 0 CEAEHN CN(Cc1cccc(C(N)=S)c1)C[C@H]1CCCOC1 ZINC000111163064 186364262 /nfs/dbraw/zinc/36/42/62/186364262.db2.gz CUTVTJYQWZJCTF-CYBMUJFWSA-N 0 3 278.421 2.179 10 0 CEAEHN N[C@@H](c1nc2c(s1)CCCC2)[C@@H]1CCCOC1 ZINC000111322164 186397291 /nfs/dbraw/zinc/39/72/91/186397291.db2.gz VROQJBJWCNIYCO-BXKDBHETSA-N 0 3 252.383 2.448 10 0 CEAEHN NCc1ccc(C(=O)Nc2cnc3ccccc3c2)nc1 ZINC000111282369 186390084 /nfs/dbraw/zinc/39/00/84/186390084.db2.gz MUFFNRYLEFFXKV-UHFFFAOYSA-N 0 3 278.315 2.341 10 0 CEAEHN COC(=O)c1ccc(CN2C[C@H]3CCCN3C[C@@H]2C)s1 ZINC000119181416 186807890 /nfs/dbraw/zinc/80/78/90/186807890.db2.gz BCRICAXUAJYTIB-NWDGAFQWSA-N 0 3 294.420 2.203 10 0 CEAEHN c1cnn(CC2CCN(Cc3ccncc3)CC2)c1 ZINC000130402329 187492022 /nfs/dbraw/zinc/49/20/22/187492022.db2.gz OQTBZSNWIUNHFW-UHFFFAOYSA-N 0 3 256.353 2.190 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@@H](O)C(C)C)c1C ZINC000131328531 366043025 /nfs/dbraw/zinc/04/30/25/366043025.db2.gz CAVNPSBXODLWHO-ZWNOBZJWSA-N 0 3 253.390 2.187 10 0 CEAEHN CCC[C@@H](N)C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000121875370 187002286 /nfs/dbraw/zinc/00/22/86/187002286.db2.gz KQCNPZBDCYHGEE-SNVBAGLBSA-N 0 3 266.307 2.305 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC[C@H](C)N1CCOCC1 ZINC000123354570 187086438 /nfs/dbraw/zinc/08/64/38/187086438.db2.gz ZRZJYZIVACLZEZ-GJZGRUSLSA-N 0 3 292.423 2.375 10 0 CEAEHN CC[C@@H](O)CN1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000123569906 187099119 /nfs/dbraw/zinc/09/91/19/187099119.db2.gz ABFFCXAMHMORCU-REMYHPOOSA-N 0 3 292.398 2.227 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000123669703 187103785 /nfs/dbraw/zinc/10/37/85/187103785.db2.gz IDPLBAZAVFHRCB-MRXNPFEDSA-N 0 3 280.387 2.104 10 0 CEAEHN CC(=O)c1cccc(NC(=O)N2C[C@H](C)[C@H](N(C)C)C2)c1 ZINC000123934706 187115421 /nfs/dbraw/zinc/11/54/21/187115421.db2.gz MTEQGMLPWFDUIL-XHDPSFHLSA-N 0 3 289.379 2.303 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H]2CCCNC(=O)C2)cc1F ZINC000094955417 539888500 /nfs/dbraw/zinc/88/85/00/539888500.db2.gz PXUYTMQBQLWMIR-WCQYABFASA-N 0 3 264.344 2.453 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CCCO1 ZINC000252692652 539893309 /nfs/dbraw/zinc/89/33/09/539893309.db2.gz AQHGKJFKKKSHGE-RBSFLKMASA-N 0 3 252.402 2.114 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccc[nH]1)c1ccccc1 ZINC000155295161 188196709 /nfs/dbraw/zinc/19/67/09/188196709.db2.gz TXIPEEDLMGGONE-CQSZACIVSA-N 0 3 257.337 2.047 10 0 CEAEHN CNC(=O)CCCN(C)Cc1ccc2ccccc2n1 ZINC000155359800 188200698 /nfs/dbraw/zinc/20/06/98/188200698.db2.gz RDDNJUYBNFTOIF-UHFFFAOYSA-N 0 3 271.364 2.193 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2[nH]nc3ccccc32)[C@@H](C)C1 ZINC000155492030 188210565 /nfs/dbraw/zinc/21/05/65/188210565.db2.gz WLMFCWLWFPLOKC-FZMZJTMJSA-N 0 3 286.379 2.021 10 0 CEAEHN CCc1ccccc1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000155758587 188225922 /nfs/dbraw/zinc/22/59/22/188225922.db2.gz QHNPCIIBHOLYTI-OAHLLOKOSA-N 0 3 275.396 2.095 10 0 CEAEHN COc1c(CNCCCc2ccccc2)c(C)nn1C ZINC000134088377 366284684 /nfs/dbraw/zinc/28/46/84/366284684.db2.gz JGHIPMLJXLTBBB-UHFFFAOYSA-N 0 3 273.380 2.460 10 0 CEAEHN CC(C)c1ncc(C(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000134160193 366292485 /nfs/dbraw/zinc/29/24/85/366292485.db2.gz WTEFUFZQKCQLKV-SNVBAGLBSA-N 0 3 267.398 2.043 10 0 CEAEHN CC[C@](C)(N)c1ccc(I)cn1 ZINC000575557859 366295806 /nfs/dbraw/zinc/29/58/06/366295806.db2.gz ABFJRFRVXJOVNP-VIFPVBQESA-N 0 3 276.121 2.270 10 0 CEAEHN Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H]2C)N(C)C)cc1 ZINC000076077899 363519774 /nfs/dbraw/zinc/51/97/74/363519774.db2.gz RKTAYGHSYAXDQI-QEJZJMRPSA-N 0 3 275.396 2.305 10 0 CEAEHN COC(=O)CCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134824785 366363231 /nfs/dbraw/zinc/36/32/31/366363231.db2.gz VOVMOUZUSRUPBT-CQSZACIVSA-N 0 3 293.338 2.426 10 0 CEAEHN Cc1nn(C)cc1CN[C@H](CN(C)C)c1ccccc1 ZINC000148868094 366585128 /nfs/dbraw/zinc/58/51/28/366585128.db2.gz RQONEQGDSSYECU-MRXNPFEDSA-N 0 3 272.396 2.121 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000236960388 370666059 /nfs/dbraw/zinc/66/60/59/370666059.db2.gz QWRVZKHCSCGYKA-QMMMGPOBSA-N 0 3 265.338 2.469 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCc2cn(C)c3ccccc23)C1 ZINC000151430697 366644072 /nfs/dbraw/zinc/64/40/72/366644072.db2.gz CJQXQBWLCGKHPP-HNNXBMFYSA-N 0 3 299.418 2.273 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NOCc1ccccc1 ZINC000177317585 189043573 /nfs/dbraw/zinc/04/35/73/189043573.db2.gz ACLAIYCDZBXAFG-OAHLLOKOSA-N 0 3 291.395 2.244 10 0 CEAEHN CCCCOC(=O)[C@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000178318585 189107185 /nfs/dbraw/zinc/10/71/85/189107185.db2.gz VEBRNBJVTUDDGP-DZGCQCFKSA-N 0 3 293.411 2.388 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179147732 189173213 /nfs/dbraw/zinc/17/32/13/189173213.db2.gz VSXJJUWDXYDMNV-REBRKWNGSA-N 0 3 273.380 2.139 10 0 CEAEHN COc1cc(C(=O)N2CCN3CCC[C@@H]3C2)ccc1Cl ZINC000179342268 189187386 /nfs/dbraw/zinc/18/73/86/189187386.db2.gz LYQOJHRRISMCMW-GFCCVEGCSA-N 0 3 294.782 2.269 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)COCc1ccccc1)N(C)C ZINC000179468294 189196254 /nfs/dbraw/zinc/19/62/54/189196254.db2.gz FFVCULVUHKVJLN-GDBMZVCRSA-N 0 3 292.423 2.438 10 0 CEAEHN COc1ccc([C@@H](C)N[C@H]2CCc3ncnn3C2)cc1F ZINC000180605818 189265545 /nfs/dbraw/zinc/26/55/45/189265545.db2.gz PKVJOEHKPROTOR-PWSUYJOCSA-N 0 3 290.342 2.091 10 0 CEAEHN CC(C)c1nnc2n1C[C@@H](N[C@@H](C)c1ccccn1)CC2 ZINC000180504998 189259415 /nfs/dbraw/zinc/25/94/15/189259415.db2.gz CDGCGAQYDQBHPM-STQMWFEESA-N 0 3 285.395 2.462 10 0 CEAEHN Cc1cccc(CCCN2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000181093836 189288650 /nfs/dbraw/zinc/28/86/50/189288650.db2.gz DUTBXOONUQFSLO-IAGOWNOFSA-N 0 3 290.451 2.315 10 0 CEAEHN Cc1ccc(C[C@@H](C)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000181200400 189290540 /nfs/dbraw/zinc/29/05/40/189290540.db2.gz YRQWCKHQVMCNFF-ZBFHGGJFSA-N 0 3 274.408 2.336 10 0 CEAEHN O[C@@H](CN1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000152428960 366697154 /nfs/dbraw/zinc/69/71/54/366697154.db2.gz VAPGOEWHBWXNDT-IRXDYDNUSA-N 0 3 284.359 2.268 10 0 CEAEHN Cc1ccc([N-]S(=O)(=O)c2ccc(CC[NH3+])cc2)cc1 ZINC000011849311 361366435 /nfs/dbraw/zinc/36/64/35/361366435.db2.gz AANMGLGWNGVYQC-UHFFFAOYSA-N 0 3 290.388 2.297 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000183068361 189345040 /nfs/dbraw/zinc/34/50/40/189345040.db2.gz KPJRCVXIRXEPEH-TYNCELHUSA-N 0 3 293.411 2.249 10 0 CEAEHN CN(C)C[C@@H]1CN(CCSc2ccc(F)cc2)CCO1 ZINC000155267677 366812567 /nfs/dbraw/zinc/81/25/67/366812567.db2.gz VHJHROQBCYWVEI-CQSZACIVSA-N 0 3 298.427 2.180 10 0 CEAEHN Cc1cccc2c(NC[C@H](O)c3cnn(C)c3)ccnc12 ZINC000301678312 201133104 /nfs/dbraw/zinc/13/31/04/201133104.db2.gz QYCMHPSVIHRDQW-HNNXBMFYSA-N 0 3 282.347 2.422 10 0 CEAEHN N[C@H]1CCOc2ccc(I)cc21 ZINC000016082996 361483435 /nfs/dbraw/zinc/48/34/35/361483435.db2.gz IMWOQKPUSMKPEC-QMMMGPOBSA-N 0 3 275.089 2.074 10 0 CEAEHN CCOc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000027932533 361663416 /nfs/dbraw/zinc/66/34/16/361663416.db2.gz VIYWIIWKNGUECB-AWEZNQCLSA-N 0 3 274.364 2.006 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](C)c1nc(C)cs1)N(C)C ZINC000186001174 189427572 /nfs/dbraw/zinc/42/75/72/189427572.db2.gz MRTVOJIOWBBRDP-PWSUYJOCSA-N 0 3 283.441 2.402 10 0 CEAEHN COc1ccsc1[C@@H](C)N[C@@H]1CCc2ncnn2C1 ZINC000186207363 189432971 /nfs/dbraw/zinc/43/29/71/189432971.db2.gz OYWSTTIOBJXIKB-NXEZZACHSA-N 0 3 278.381 2.014 10 0 CEAEHN CN(C)C[C@@H]1CN(CCSCc2ccccc2)CCO1 ZINC000186417149 189438905 /nfs/dbraw/zinc/43/89/05/189438905.db2.gz ODENPNVVPNMWJC-MRXNPFEDSA-N 0 3 294.464 2.182 10 0 CEAEHN Cc1nc(CN2CCC[C@H]2CCCO)sc1C ZINC000088538080 363906699 /nfs/dbraw/zinc/90/66/99/363906699.db2.gz WEPSEYFAFSSBBW-LBPRGKRZSA-N 0 3 254.399 2.497 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCN2 ZINC000092630064 364090298 /nfs/dbraw/zinc/09/02/98/364090298.db2.gz BRVWPUWZPJDCDE-OAHLLOKOSA-N 0 3 287.407 2.211 10 0 CEAEHN Cc1c(CNC[C@H](c2ccco2)N2CCCC2)cnn1C ZINC000093649272 364208272 /nfs/dbraw/zinc/20/82/72/364208272.db2.gz CGXDIPFYBHZTAK-OAHLLOKOSA-N 0 3 288.395 2.248 10 0 CEAEHN O=[S@@](c1nc2ccccc2nc1Cl)[C@@H]1CCCNC1 ZINC000095069764 364329801 /nfs/dbraw/zinc/32/98/01/364329801.db2.gz UHYBAPCJUWUVRV-HOGDKLEQSA-N 0 3 295.795 2.143 10 0 CEAEHN O=[S@](c1nc2ccccc2nc1Cl)[C@H]1CCCNC1 ZINC000095069765 364329910 /nfs/dbraw/zinc/32/99/10/364329910.db2.gz UHYBAPCJUWUVRV-ZRNGKTOUSA-N 0 3 295.795 2.143 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1nn(C)cc1Cl ZINC000335445617 364745297 /nfs/dbraw/zinc/74/52/97/364745297.db2.gz TUSXYCIGYYMNPR-NEPJUHHUSA-N 0 3 282.819 2.132 10 0 CEAEHN CCc1nc([C@H](C)NC(=O)N2CC[C@H](N(C)C)C2)cs1 ZINC000111895105 364767384 /nfs/dbraw/zinc/76/73/84/364767384.db2.gz GYUUVEVKFBVMJN-QWRGUYRKSA-N 0 3 296.440 2.112 10 0 CEAEHN CC(C)CCSCC(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113231012 364879361 /nfs/dbraw/zinc/87/93/61/364879361.db2.gz CHJBVNPEXVIBNV-UONOGXRCSA-N 0 3 284.469 2.461 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(CCCC(=O)OC)C1 ZINC000116399427 365053731 /nfs/dbraw/zinc/05/37/31/365053731.db2.gz WOFSURYALIQSOD-ZDUSSCGKSA-N 0 3 279.384 2.036 10 0 CEAEHN COCOc1ccc(OC)cc1CN[C@H]1C[C@H]1C ZINC000119223821 365238257 /nfs/dbraw/zinc/23/82/57/365238257.db2.gz YDVXIGWCYMCKLA-MFKMUULPSA-N 0 3 251.326 2.176 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000119679173 365309705 /nfs/dbraw/zinc/30/97/05/365309705.db2.gz PWTUJYIPSXOUMF-RYUDHWBXSA-N 0 3 289.379 2.022 10 0 CEAEHN CN(Cc1cccc(O)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120243400 365394445 /nfs/dbraw/zinc/39/44/45/365394445.db2.gz HVWVNRBIGGBWQF-HNNXBMFYSA-N 0 3 298.390 2.283 10 0 CEAEHN CCc1cnc(NC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)s1 ZINC000120743307 365469882 /nfs/dbraw/zinc/46/98/82/365469882.db2.gz VRBYQVIRGBCRRA-QWRGUYRKSA-N 0 3 294.424 2.406 10 0 CEAEHN C[C@@H](O)CN1CCN(CCCC2CCCC2)C[C@@H]1C ZINC000120442498 365423862 /nfs/dbraw/zinc/42/38/62/365423862.db2.gz VUUIZSBLSJRCNL-LSDHHAIUSA-N 0 3 268.445 2.344 10 0 CEAEHN COc1cc([C@H](C)N[C@H]2C[C@H]2C)ccc1S(C)(=O)=O ZINC000120470095 365429592 /nfs/dbraw/zinc/42/95/92/365429592.db2.gz PKCFTNIGVGPUPX-SCVCMEIPSA-N 0 3 283.393 2.158 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)c1ccc(C)o1)N(C)C ZINC000161570329 367098930 /nfs/dbraw/zinc/09/89/30/367098930.db2.gz GWXWGLMMPTXRAQ-VXGBXAGGSA-N 0 3 252.358 2.496 10 0 CEAEHN CCC(CC)NC(=O)[C@H](C)N(C)C[C@H]1CCCN1CC ZINC000245481604 370826847 /nfs/dbraw/zinc/82/68/47/370826847.db2.gz YMORMBHTAWFHSE-DZGCQCFKSA-N 0 3 283.460 2.096 10 0 CEAEHN Cc1cccc(CCCN2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000245534335 370833376 /nfs/dbraw/zinc/83/33/76/370833376.db2.gz DUTBXOONUQFSLO-IRXDYDNUSA-N 0 3 290.451 2.315 10 0 CEAEHN CC(C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000616569241 367232116 /nfs/dbraw/zinc/23/21/16/367232116.db2.gz HLHXVLHNALXPLK-KGLIPLIRSA-N 0 3 264.344 2.125 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000163604649 367252364 /nfs/dbraw/zinc/25/23/64/367252364.db2.gz DAVXXXDRXUKOAV-RAIGVLPGSA-N 0 3 294.345 2.231 10 0 CEAEHN CC/C=C\CCN1CCN(CCOCC)[C@H](C)C1 ZINC000342254568 367397298 /nfs/dbraw/zinc/39/72/98/367397298.db2.gz WGIFGJZZLWVABM-IDTUSYRASA-N 0 3 254.418 2.385 10 0 CEAEHN CC1CCC(CNC(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000170833708 367428422 /nfs/dbraw/zinc/42/84/22/367428422.db2.gz ISTSIJMFWKZXLO-JXQTWKCFSA-N 0 3 267.417 2.158 10 0 CEAEHN CCN1CC(CO)=C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000169343079 367369005 /nfs/dbraw/zinc/36/90/05/367369005.db2.gz YOTFCLNNTOINOV-GDBMZVCRSA-N 0 3 268.360 2.430 10 0 CEAEHN CCc1ccsc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170855865 367432183 /nfs/dbraw/zinc/43/21/83/367432183.db2.gz GOMFYHWZKSGATD-LLVKDONJSA-N 0 3 252.383 2.087 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCc2ccccc2Cl)C1 ZINC000170861326 367433835 /nfs/dbraw/zinc/43/38/35/367433835.db2.gz GJNVDFOLGHUMPX-ZDUSSCGKSA-N 0 3 280.799 2.435 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2OCC2CC2)C1 ZINC000170863770 367434467 /nfs/dbraw/zinc/43/44/67/367434467.db2.gz KCCUZFGYGAWCDM-CQSZACIVSA-N 0 3 288.391 2.252 10 0 CEAEHN CC[C@@H](CC(=O)N1CCN2CCC[C@@H]2C1)C(C)C ZINC000171471064 367549033 /nfs/dbraw/zinc/54/90/33/367549033.db2.gz FJVJQQZRZZHDMX-UONOGXRCSA-N 0 3 252.402 2.365 10 0 CEAEHN O=C(NCc1ccccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000171807198 367620058 /nfs/dbraw/zinc/62/00/58/367620058.db2.gz MJKAFZXONDHVTF-ZDUSSCGKSA-N 0 3 293.798 2.330 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(CCc2cccnc2)C1 ZINC000172159601 367686528 /nfs/dbraw/zinc/68/65/28/367686528.db2.gz UHRPYLAJANQLIU-HNNXBMFYSA-N 0 3 275.396 2.005 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(CCc3cccnc3)C2)no1 ZINC000172159087 367686825 /nfs/dbraw/zinc/68/68/25/367686825.db2.gz GQEDFZMGNOSRLL-HNNXBMFYSA-N 0 3 286.379 2.270 10 0 CEAEHN CCn1cnnc1C1CCN(CCc2cccnc2)CC1 ZINC000172163415 367687930 /nfs/dbraw/zinc/68/79/30/367687930.db2.gz JMGCCWKPQQYMQT-UHFFFAOYSA-N 0 3 285.395 2.115 10 0 CEAEHN Cc1nc(C)c(CN2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000172823294 367824704 /nfs/dbraw/zinc/82/47/04/367824704.db2.gz MVMWHFFASGSSLE-LBPRGKRZSA-N 0 3 276.409 2.483 10 0 CEAEHN CCc1cnc(NC(=O)N2CCN3CCC[C@@H]3C2)s1 ZINC000173473708 367913775 /nfs/dbraw/zinc/91/37/75/367913775.db2.gz QEXYXCNQSJHVIB-SNVBAGLBSA-N 0 3 280.397 2.017 10 0 CEAEHN CCc1ncc(C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)s1 ZINC000174961985 368084515 /nfs/dbraw/zinc/08/45/15/368084515.db2.gz DNGJBMPINGJIPB-NWDGAFQWSA-N 0 3 293.436 2.404 10 0 CEAEHN Cc1c(F)cccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000175031680 368090822 /nfs/dbraw/zinc/09/08/22/368090822.db2.gz RGQDTYJGNJPXEX-LLVKDONJSA-N 0 3 265.332 2.302 10 0 CEAEHN CC(C)N(C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000175759764 368172987 /nfs/dbraw/zinc/17/29/87/368172987.db2.gz DLTMCVBUSOFTNZ-CQSZACIVSA-N 0 3 263.385 2.339 10 0 CEAEHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C)O1)N(C)Cc1ccccc1 ZINC000245988400 370897492 /nfs/dbraw/zinc/89/74/92/370897492.db2.gz HYWRTKJLCDOPMU-SQWLQELKSA-N 0 3 290.407 2.191 10 0 CEAEHN CNC(=O)[C@@H](C)CN(C)Cc1ccc2ccccc2n1 ZINC000176384048 368233214 /nfs/dbraw/zinc/23/32/14/368233214.db2.gz NRVSCPTUCCEHQW-LBPRGKRZSA-N 0 3 271.364 2.049 10 0 CEAEHN Cc1cccnc1CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000180476029 368383411 /nfs/dbraw/zinc/38/34/11/368383411.db2.gz SGXVYPYSWMIJGJ-HNNXBMFYSA-N 0 3 297.406 2.281 10 0 CEAEHN CCCCCS(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1CC ZINC000181409777 368451470 /nfs/dbraw/zinc/45/14/70/368451470.db2.gz RMUZWGQWEPHGCY-KBPBESRZSA-N 0 3 288.457 2.065 10 0 CEAEHN CCc1cnccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000182568537 368568825 /nfs/dbraw/zinc/56/88/25/368568825.db2.gz FLVDLSBGPKELNJ-SWLSCSKDSA-N 0 3 275.396 2.103 10 0 CEAEHN OCc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000182729674 368584572 /nfs/dbraw/zinc/58/45/72/368584572.db2.gz HSVCCBMHIUDCRI-UHFFFAOYSA-N 0 3 271.364 2.282 10 0 CEAEHN Cc1ccc(F)cc1CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246041670 370902614 /nfs/dbraw/zinc/90/26/14/370902614.db2.gz XCVKKDCQTZRHMZ-PBHICJAKSA-N 0 3 292.398 2.287 10 0 CEAEHN CC[C@@H]1CN([C@@H]2C=CCCC2)CCN1CCOC ZINC000246215661 370929104 /nfs/dbraw/zinc/92/91/04/370929104.db2.gz CIEYKLRKRBGACY-HUUCEWRRSA-N 0 3 252.402 2.138 10 0 CEAEHN CSCCCCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000186159117 368928004 /nfs/dbraw/zinc/92/80/04/368928004.db2.gz DEWDCRAIQUORRO-CYBMUJFWSA-N 0 3 285.457 2.009 10 0 CEAEHN Cc1cc(CNC(=O)N2CC[C@H](N(C)C)C2)ccc1Cl ZINC000187059620 369094334 /nfs/dbraw/zinc/09/43/34/369094334.db2.gz UZUAHFBLYUUCRX-ZDUSSCGKSA-N 0 3 295.814 2.494 10 0 CEAEHN COC[C@H](C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187174842 369115556 /nfs/dbraw/zinc/11/55/56/369115556.db2.gz UNCKVXMCTGBXNQ-GUTXKFCHSA-N 0 3 278.396 2.077 10 0 CEAEHN C[C@@H](N[C@@H]1CCCn2ncnc21)C1CCSCC1 ZINC000187286030 369133540 /nfs/dbraw/zinc/13/35/40/369133540.db2.gz XYIRBEVILGCWLP-ZYHUDNBSSA-N 0 3 266.414 2.234 10 0 CEAEHN CCOc1ccccc1OCCN[C@H](C)COC ZINC000053565007 541764344 /nfs/dbraw/zinc/76/43/44/541764344.db2.gz VXFGRHFATJXEAV-GFCCVEGCSA-N 0 3 253.342 2.089 10 0 CEAEHN CCN(C)C(=O)[C@@H](C)NC[C@@H](C)c1ccc(OC)cc1 ZINC000188896484 369425778 /nfs/dbraw/zinc/42/57/78/369425778.db2.gz OZMAAQHUOXPHIR-CHWSQXEVSA-N 0 3 278.396 2.255 10 0 CEAEHN CCN(C)C(=O)[C@H](C)NC[C@@H](C)c1ccc(OC)cc1 ZINC000188896504 369426357 /nfs/dbraw/zinc/42/63/57/369426357.db2.gz OZMAAQHUOXPHIR-OLZOCXBDSA-N 0 3 278.396 2.255 10 0 CEAEHN CCc1ncsc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246364140 370951107 /nfs/dbraw/zinc/95/11/07/370951107.db2.gz XSQOJLALGVHZPG-MNOVXSKESA-N 0 3 279.409 2.014 10 0 CEAEHN C[C@H]1OCCC[C@@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000191717845 369736082 /nfs/dbraw/zinc/73/60/82/369736082.db2.gz QKQXZNGNTPFZQV-CJNGLKHVSA-N 0 3 290.407 2.180 10 0 CEAEHN O=C(N[C@H]1CCCc2occc21)N1CCN2CCC[C@H]2C1 ZINC000247655523 284188843 /nfs/dbraw/zinc/18/88/43/284188843.db2.gz YFRWGUAXVKOUDK-JSGCOSHPSA-N 0 3 289.379 2.147 10 0 CEAEHN COc1cc(CNCCn2cc(C)cn2)ccc1C ZINC000194298930 370022688 /nfs/dbraw/zinc/02/26/88/370022688.db2.gz ADBJZTSGLGHCFM-UHFFFAOYSA-N 0 3 259.353 2.298 10 0 CEAEHN CCCCOC[C@H](O)CN(C)[C@@H](C)c1ccncc1 ZINC000195203758 370114291 /nfs/dbraw/zinc/11/42/91/370114291.db2.gz LYYCQGMQFHAGKB-DZGCQCFKSA-N 0 3 266.385 2.252 10 0 CEAEHN C[C@H](CNc1nnc(C(F)(F)F)s1)N(C)C1CC1 ZINC000220101245 370229705 /nfs/dbraw/zinc/22/97/05/370229705.db2.gz YPWSILNFVWOUJO-ZCFIWIBFSA-N 0 3 280.319 2.452 10 0 CEAEHN COCCOC[C@@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000234749341 370541518 /nfs/dbraw/zinc/54/15/18/370541518.db2.gz JFKQYEAEMSBVQT-ZJUUUORDSA-N 0 3 293.816 2.076 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000246791192 371010587 /nfs/dbraw/zinc/01/05/87/371010587.db2.gz RPVJRAONCCKWJC-BMFZPTHFSA-N 0 3 287.407 2.359 10 0 CEAEHN O[C@@H](Cc1ccccc1)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000246831413 371016910 /nfs/dbraw/zinc/01/69/10/371016910.db2.gz SNQMGVCZJQNXQZ-FUHWJXTLSA-N 0 3 298.386 2.138 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000246862063 371021885 /nfs/dbraw/zinc/02/18/85/371021885.db2.gz FPNHWEJQANFJHU-SMDDNHRTSA-N 0 3 264.344 2.284 10 0 CEAEHN COc1cccc([C@H](C)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000247261049 371085379 /nfs/dbraw/zinc/08/53/79/371085379.db2.gz VIGWIHMWYUWGIS-BBRMVZONSA-N 0 3 278.396 2.019 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000247485060 371114636 /nfs/dbraw/zinc/11/46/36/371114636.db2.gz TUBJKUGWXXMDKP-MNOVXSKESA-N 0 3 279.771 2.044 10 0 CEAEHN CCC[C@@H](CC)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247489645 371114774 /nfs/dbraw/zinc/11/47/74/371114774.db2.gz LLDIMHLLKADWRT-OLZOCXBDSA-N 0 3 253.390 2.055 10 0 CEAEHN CO[C@@H](C)CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000248428353 371192740 /nfs/dbraw/zinc/19/27/40/371192740.db2.gz PAWUQLSOVDGCIP-GXFFZTMASA-N 0 3 251.374 2.209 10 0 CEAEHN CC(C)n1ccc(CN2CCN3CCCC[C@H]3C2)n1 ZINC000248367498 371179986 /nfs/dbraw/zinc/17/99/86/371179986.db2.gz UCZABFUSWMAXHK-HNNXBMFYSA-N 0 3 262.401 2.134 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCO1 ZINC000248627243 371226518 /nfs/dbraw/zinc/22/65/18/371226518.db2.gz ZCUGKQFAGZHBHB-FPCVCCKLSA-N 0 3 296.455 2.427 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cnccn2)C12CCOCC2 ZINC000248634816 371227458 /nfs/dbraw/zinc/22/74/58/371227458.db2.gz JXQULDOZUFBOQX-BPLDGKMQSA-N 0 3 291.395 2.101 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cnn(C(C)C)c1 ZINC000248965037 371275392 /nfs/dbraw/zinc/27/53/92/371275392.db2.gz HAXOMUGFSMPNML-CABCVRRESA-N 0 3 290.411 2.163 10 0 CEAEHN CC[C@](C)(O)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000249342986 371315193 /nfs/dbraw/zinc/31/51/93/371315193.db2.gz JFNGNZNTDNQWNT-IRXDYDNUSA-N 0 3 277.408 2.481 10 0 CEAEHN OC[C@@H]1CN(CCOCC2CC2)C[C@@H]1c1ccsc1 ZINC000249576700 371339952 /nfs/dbraw/zinc/33/99/52/371339952.db2.gz PSBTTWVTWPJHOQ-LSDHHAIUSA-N 0 3 281.421 2.182 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccco2)C1 ZINC000250208519 371379930 /nfs/dbraw/zinc/37/99/30/371379930.db2.gz LTECOUAANQNDMH-OLZOCXBDSA-N 0 3 279.384 2.466 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C\c1cccnc1 ZINC000254951419 371543619 /nfs/dbraw/zinc/54/36/19/371543619.db2.gz QLEHRLSDHWEYDV-ZPIQOJFGSA-N 0 3 275.396 2.187 10 0 CEAEHN C[C@@H](CCC(C)(C)C)NC(=O)[C@H](N)C1CCOCC1 ZINC000261605597 371675301 /nfs/dbraw/zinc/67/53/01/371675301.db2.gz AOLFMINUUJXDAM-WCQYABFASA-N 0 3 270.417 2.071 10 0 CEAEHN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261875722 371759625 /nfs/dbraw/zinc/75/96/25/371759625.db2.gz UDYVNORPVHTQPB-RBSFLKMASA-N 0 3 282.428 2.071 10 0 CEAEHN CC(C)n1ccnc1CN1CCNC[C@H]1c1cccnc1 ZINC000261887878 371762875 /nfs/dbraw/zinc/76/28/75/371762875.db2.gz ZGPGCMPBLKTRQY-HNNXBMFYSA-N 0 3 285.395 2.006 10 0 CEAEHN CCCC[C@@H](CC)CNC(=O)[C@H](N)C1CCOCC1 ZINC000261951790 371781720 /nfs/dbraw/zinc/78/17/20/371781720.db2.gz KDZHEQLQIHURHM-TZMCWYRMSA-N 0 3 270.417 2.073 10 0 CEAEHN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H]1CCCCN1 ZINC000262496510 371868600 /nfs/dbraw/zinc/86/86/00/371868600.db2.gz ZSZWSBWQYLAJHS-HZPDHXFCSA-N 0 3 290.407 2.019 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)C1 ZINC000263524255 371940800 /nfs/dbraw/zinc/94/08/00/371940800.db2.gz SNRSGZRAJBCBOL-FKQQDJLNSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1nnc(C)s1 ZINC000362273627 372293882 /nfs/dbraw/zinc/29/38/82/372293882.db2.gz BPFXJHRTFGVCGN-OLZOCXBDSA-N 0 3 280.441 2.295 10 0 CEAEHN CC[C@H](NC(=O)[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000644016978 373340581 /nfs/dbraw/zinc/34/05/81/373340581.db2.gz XYVANJDDPYHGAB-OLZOCXBDSA-N 0 3 282.334 2.499 10 0 CEAEHN CC1(C)CN[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000645295923 373974768 /nfs/dbraw/zinc/97/47/68/373974768.db2.gz KSNFDKDGNATXOP-KXUCPTDWSA-N 0 3 278.318 2.222 10 0 CEAEHN COc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)cc1Cl ZINC000282187970 375423563 /nfs/dbraw/zinc/42/35/63/375423563.db2.gz BTKAMQDNNCENSI-CABZTGNLSA-N 0 3 282.771 2.105 10 0 CEAEHN CCn1nccc1CNC[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000282629160 375535143 /nfs/dbraw/zinc/53/51/43/375535143.db2.gz GCUFJSQUHOSYOK-GFCCVEGCSA-N 0 3 296.415 2.248 10 0 CEAEHN COc1ccc([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)cc1F ZINC000282509417 375502327 /nfs/dbraw/zinc/50/23/27/375502327.db2.gz YVPNRKWKINDOHY-CWSCBRNRSA-N 0 3 280.343 2.152 10 0 CEAEHN C[C@@H](CNCc1cncs1)N(C)C(=O)OC(C)(C)C ZINC000282674504 375545270 /nfs/dbraw/zinc/54/52/70/375545270.db2.gz JTYYCGRBQXWVII-JTQLQIEISA-N 0 3 285.413 2.488 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@H](OC)c1ccccc1F ZINC000262175921 190050288 /nfs/dbraw/zinc/05/02/88/190050288.db2.gz YKBPZCBVNUMASI-GVARAGBVSA-N 0 3 296.386 2.391 10 0 CEAEHN CCCOc1ccc(CNC(=O)[C@@](C)(N)CCC)cn1 ZINC000262720390 190061132 /nfs/dbraw/zinc/06/11/32/190061132.db2.gz YUHCSYMDXVFXJQ-HNNXBMFYSA-N 0 3 279.384 2.004 10 0 CEAEHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([O-])ccc2F)C1 ZINC000296568510 378578729 /nfs/dbraw/zinc/57/87/29/378578729.db2.gz QGRQKRMVJRIBFT-NHYWBVRUSA-N 0 3 292.354 2.088 10 0 CEAEHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([O-])ccc2F)C1 ZINC000296568510 378578734 /nfs/dbraw/zinc/57/87/34/378578734.db2.gz QGRQKRMVJRIBFT-NHYWBVRUSA-N 0 3 292.354 2.088 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C\c1cccc(O)c1 ZINC000492518391 380585925 /nfs/dbraw/zinc/58/59/25/380585925.db2.gz BGJHUOFSFBPXCG-WHLNPGIBSA-N 0 3 290.407 2.498 10 0 CEAEHN CN[C@H]1c2ccc(OC)cc2CC[C@@H]1Sc1nc[nH]n1 ZINC000081850636 184597477 /nfs/dbraw/zinc/59/74/77/184597477.db2.gz GJHSRJDQHURHKJ-STQMWFEESA-N 0 3 290.392 2.181 10 0 CEAEHN CCN1C[C@@H](C)[C@H](NCc2ccc(Br)o2)C1 ZINC000381296590 542351862 /nfs/dbraw/zinc/35/18/62/542351862.db2.gz GQZNTNRRUXMGFN-MWLCHTKSSA-N 0 3 287.201 2.472 10 0 CEAEHN CCOC(=O)C[C@]1(NC)CCc2ccc(OC)cc21 ZINC000092861442 184633059 /nfs/dbraw/zinc/63/30/59/184633059.db2.gz AXCDVPXIJIKYTE-OAHLLOKOSA-N 0 3 263.337 2.009 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC000194551879 542361103 /nfs/dbraw/zinc/36/11/03/542361103.db2.gz OTGDFDHPUSQYKG-CYBMUJFWSA-N 0 3 291.395 2.498 10 0 CEAEHN NCc1c(F)cccc1-n1ccc(C(F)(F)F)n1 ZINC000093395578 184670926 /nfs/dbraw/zinc/67/09/26/184670926.db2.gz NQCBLLNOBQKKJM-UHFFFAOYSA-N 0 3 259.206 2.489 10 0 CEAEHN CCN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1cccc(OC)c1 ZINC000081923485 177896769 /nfs/dbraw/zinc/89/67/69/177896769.db2.gz GTPYWFHZLKHAII-CABCVRRESA-N 0 3 297.420 2.390 10 0 CEAEHN N[C@H]1CCCCC[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000081921287 177895395 /nfs/dbraw/zinc/89/53/95/177895395.db2.gz NXMMWLGAANKBJN-STQMWFEESA-N 0 3 271.357 2.259 10 0 CEAEHN Cc1ccc(C)c([C@@H](C)N[C@@H](C)CS(C)(=O)=O)c1 ZINC000081900162 177883435 /nfs/dbraw/zinc/88/34/35/177883435.db2.gz MMYSNVHGVQHVMX-QWHCGFSZSA-N 0 3 269.410 2.387 10 0 CEAEHN CN[C@@H]1c2ccccc2C[C@H]1Sc1ncccn1 ZINC000081871197 177869776 /nfs/dbraw/zinc/86/97/76/177869776.db2.gz NTRAJHVDOJAHEI-CHWSQXEVSA-N 0 3 257.362 2.454 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2cccc(C)n2)C12CCOCC2 ZINC000186262438 270249354 /nfs/dbraw/zinc/24/93/54/270249354.db2.gz NRURQULYCBDRCV-HZPDHXFCSA-N 0 3 290.407 2.454 10 0 CEAEHN O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCCCN1 ZINC000080993194 177749473 /nfs/dbraw/zinc/74/94/73/177749473.db2.gz WACMZQXUAMGMIQ-ZDUSSCGKSA-N 0 3 290.363 2.319 10 0 CEAEHN CCCN[C@@H](C)c1csc(N2CCn3ccnc3C2)n1 ZINC000080830871 177712627 /nfs/dbraw/zinc/71/26/27/177712627.db2.gz OITJSJRNQFKNRL-NSHDSACASA-N 0 3 291.424 2.420 10 0 CEAEHN CCCN[C@@H](c1c(C)ccnc1N)[C@H](C)OCC ZINC000080744224 177697517 /nfs/dbraw/zinc/69/75/17/177697517.db2.gz LKBAAZRVVYKXGK-WCQYABFASA-N 0 3 251.374 2.438 10 0 CEAEHN COc1ccc2cc([C@@H]3NC(=O)CC[C@@H]3N)ccc2c1 ZINC000080695821 177693097 /nfs/dbraw/zinc/69/30/97/177693097.db2.gz BAUOBWQQCFLUOG-HOCLYGCPSA-N 0 3 270.332 2.127 10 0 CEAEHN CC(=O)c1ccc(N(C)C[C@H]2CCCN2C)cc1O ZINC000093669720 184704574 /nfs/dbraw/zinc/70/45/74/184704574.db2.gz YDUFYZLZVAGURQ-CYBMUJFWSA-N 0 3 262.353 2.125 10 0 CEAEHN CCCn1c2ccccc2nc1CC1(O)CCN(C)CC1 ZINC000094166982 184758877 /nfs/dbraw/zinc/75/88/77/184758877.db2.gz CDJVKUNCRRDHJR-UHFFFAOYSA-N 0 3 287.407 2.446 10 0 CEAEHN Cn1c(Cl)cnc1COc1ccc(CNC2CC2)nc1 ZINC000094210875 184762870 /nfs/dbraw/zinc/76/28/70/184762870.db2.gz XWCVUOLXGREMQK-UHFFFAOYSA-N 0 3 292.770 2.300 10 0 CEAEHN C[C@H]1CN(C[C@@H]2CCCC(C)(C)C2=O)CCN1C ZINC000094285806 184775699 /nfs/dbraw/zinc/77/56/99/184775699.db2.gz PFEOTLAFDVFQSL-STQMWFEESA-N 0 3 252.402 2.018 10 0 CEAEHN CC(C)(C)NCc1cn([C@H]2CCOC3(CCC3)C2)nn1 ZINC000094419111 184794860 /nfs/dbraw/zinc/79/48/60/184794860.db2.gz CENPDEDEIABQTP-ZDUSSCGKSA-N 0 3 278.400 2.440 10 0 CEAEHN CCCOc1ncnc(N[C@@H](CC(C)C)CN(C)C)c1N ZINC000094734047 184848986 /nfs/dbraw/zinc/84/89/86/184848986.db2.gz OVDCPPALXKSFPY-LBPRGKRZSA-N 0 3 295.431 2.236 10 0 CEAEHN CCOc1ccc([C@@H](N)[C@@H]2CSCCO2)cc1 ZINC000094502271 184811210 /nfs/dbraw/zinc/81/12/10/184811210.db2.gz GMZJEQCPSFYGOE-QWHCGFSZSA-N 0 3 253.367 2.217 10 0 CEAEHN CCOc1ccc([C@@H](NC)[C@@H]2CSCCO2)cc1 ZINC000094502757 184811450 /nfs/dbraw/zinc/81/14/50/184811450.db2.gz MUSUWEXYDHIMHZ-UONOGXRCSA-N 0 3 267.394 2.478 10 0 CEAEHN CC(C)(C)NCc1ccn(Cc2nccs2)n1 ZINC000094978879 184910217 /nfs/dbraw/zinc/91/02/17/184910217.db2.gz KUTIAMCDMZYALV-UHFFFAOYSA-N 0 3 250.371 2.276 10 0 CEAEHN CCOCCCC(=O)Nc1ccccc1[C@H](C)N ZINC000095035440 184920679 /nfs/dbraw/zinc/92/06/79/184920679.db2.gz RDAZXLBMFJLRTI-NSHDSACASA-N 0 3 250.342 2.462 10 0 CEAEHN COc1cc(N2CCN[C@H](C)C2)c(OC)cc1Cl ZINC000083517928 135026822 /nfs/dbraw/zinc/02/68/22/135026822.db2.gz BZRVNFHIBUIMHC-SECBINFHSA-N 0 3 270.760 2.155 10 0 CEAEHN NCc1cc2ccccc2nc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905341 135066021 /nfs/dbraw/zinc/06/60/21/135066021.db2.gz PXUSQANOSWRQIL-OKILXGFUSA-N 0 3 269.348 2.061 10 0 CEAEHN c1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(CNC2CC2)c1 ZINC000090906716 135066031 /nfs/dbraw/zinc/06/60/31/135066031.db2.gz QTPYCAZAXPKQPS-GASCZTMLSA-N 0 3 258.365 2.306 10 0 CEAEHN CN(C)[C@@H]1CCCN(c2ccc(C=O)cc2F)C1 ZINC000091392351 135068345 /nfs/dbraw/zinc/06/83/45/135068345.db2.gz GJENEPJSRJPZJK-GFCCVEGCSA-N 0 3 250.317 2.169 10 0 CEAEHN C[C@@H]1c2ccsc2CCN1c1cncc(CN)n1 ZINC000091419863 135069327 /nfs/dbraw/zinc/06/93/27/135069327.db2.gz RUIWNFIPFDXUPS-SECBINFHSA-N 0 3 260.366 2.121 10 0 CEAEHN COCC1CCN(c2cncc(CNC(C)(C)C)n2)CC1 ZINC000091421817 135069375 /nfs/dbraw/zinc/06/93/75/135069375.db2.gz CZOSXDLSRHOIFS-UHFFFAOYSA-N 0 3 292.427 2.228 10 0 CEAEHN Nc1ccnc(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000092418016 135076321 /nfs/dbraw/zinc/07/63/21/135076321.db2.gz LPUXMFFNWHYCRJ-UHFFFAOYSA-N 0 3 286.354 2.125 10 0 CEAEHN Cc1cccc(N2CCN([C@@H]3CC[C@@H](O)C3)CC2)c1C ZINC000093798451 135082699 /nfs/dbraw/zinc/08/26/99/135082699.db2.gz FANYMYKBKNANFU-HZPDHXFCSA-N 0 3 274.408 2.339 10 0 CEAEHN CC[C@@](C)(N)C(=O)N1CCCc2cc(OC)ccc21 ZINC000094236804 135084301 /nfs/dbraw/zinc/08/43/01/135084301.db2.gz NZKSYLBRJVFISC-OAHLLOKOSA-N 0 3 262.353 2.102 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(Cl)c(CN)n1 ZINC000094443305 135088764 /nfs/dbraw/zinc/08/87/64/135088764.db2.gz UIKZPBWBADYWDB-NWDGAFQWSA-N 0 3 294.830 2.257 10 0 CEAEHN C[C@@H]1CCC[C@@H](CN2CCO[C@@H](CN(C)C)C2)C1 ZINC000245636694 394503370 /nfs/dbraw/zinc/50/33/70/394503370.db2.gz XDXPYPGKKUCXHD-KFWWJZLASA-N 0 3 254.418 2.075 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2ccccc2Cl)C[C@H]1C ZINC000247737071 394535093 /nfs/dbraw/zinc/53/50/93/394535093.db2.gz MXPOFHOIRXIEET-OLZOCXBDSA-N 0 3 282.815 2.227 10 0 CEAEHN C[C@H]1CC(CCN2CCN3C(=O)NC[C@@H]3C2)C[C@H](C)C1 ZINC000152143554 394988972 /nfs/dbraw/zinc/98/89/72/394988972.db2.gz JVYUKUAZSOHGQR-UMVBOHGHSA-N 0 3 279.428 2.158 10 0 CEAEHN CCCCO[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158880321 395056304 /nfs/dbraw/zinc/05/63/04/395056304.db2.gz LNVFTXXNDBAEGS-BFHYXJOUSA-N 0 3 270.417 2.037 10 0 CEAEHN CCC[C@H](C(=O)N1CC[C@@H](Nc2ccccc2)C1)N(C)C ZINC000161985781 395068169 /nfs/dbraw/zinc/06/81/69/395068169.db2.gz QZADQSGZSTTZTJ-HZPDHXFCSA-N 0 3 289.423 2.430 10 0 CEAEHN CCCC[C@H](COC)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000177526463 395151583 /nfs/dbraw/zinc/15/15/83/395151583.db2.gz YIRUTFDWPBIICS-HUUCEWRRSA-N 0 3 299.459 2.317 10 0 CEAEHN COCCN(C)CCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183602089 395259483 /nfs/dbraw/zinc/25/94/83/395259483.db2.gz JVEZMRJUGRRVMG-UONOGXRCSA-N 0 3 284.444 2.143 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCc2cccc(OC)c2)C1 ZINC000194645010 395444951 /nfs/dbraw/zinc/44/49/51/395444951.db2.gz HYHGUWQQASLPTK-HNNXBMFYSA-N 0 3 290.407 2.228 10 0 CEAEHN CC(C)OC1CCC(NC(=O)[C@@]2(C)CCCCN2)CC1 ZINC000649375508 396133237 /nfs/dbraw/zinc/13/32/37/396133237.db2.gz DEHSTQWADDSXEG-ZBCRRDGASA-N 0 3 282.428 2.371 10 0 CEAEHN Cc1csc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000150858246 400281470 /nfs/dbraw/zinc/28/14/70/400281470.db2.gz FGSCPKGPLPXWQQ-ONGXEEELSA-N 0 3 282.413 2.302 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C2(Cc3ccccc3F)CC2)C1 ZINC000188439382 153053734 /nfs/dbraw/zinc/05/37/34/153053734.db2.gz GXASBGCUMFYOCA-CQSZACIVSA-N 0 3 290.382 2.311 10 0 CEAEHN O[C@H](CC1CCCC1)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000190737470 153140817 /nfs/dbraw/zinc/14/08/17/153140817.db2.gz TWAMATJFPLWZNB-NVXWUHKLSA-N 0 3 290.407 2.476 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191608718 153179334 /nfs/dbraw/zinc/17/93/34/153179334.db2.gz MZEKLACXSRNDSH-INIZCTEOSA-N 0 3 287.407 2.410 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1CCO[C@@H]1CCCCO1 ZINC000193062898 153227241 /nfs/dbraw/zinc/22/72/41/153227241.db2.gz HZAQUTQAPXFUQX-JKSUJKDBSA-N 0 3 293.411 2.199 10 0 CEAEHN O=C(c1ccc(-n2cccc2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000195318958 153281224 /nfs/dbraw/zinc/28/12/24/153281224.db2.gz SKPDRJRCSYVHNM-QGZVFWFLSA-N 0 3 295.386 2.398 10 0 CEAEHN Cc1ccccc1SCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195309195 153281547 /nfs/dbraw/zinc/28/15/47/153281547.db2.gz TWGPHQVTHBJXSC-CQSZACIVSA-N 0 3 290.432 2.394 10 0 CEAEHN CCc1ccc(CCC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000195317664 153283452 /nfs/dbraw/zinc/28/34/52/153283452.db2.gz HGDBXOBHNYUHRW-KRWDZBQOSA-N 0 3 286.419 2.488 10 0 CEAEHN CCCc1noc(CN2CCC(c3ccn[nH]3)CC2)n1 ZINC000195507727 153294040 /nfs/dbraw/zinc/29/40/40/153294040.db2.gz FMGIFDZAGWFDDH-UHFFFAOYSA-N 0 3 275.356 2.125 10 0 CEAEHN Cc1cccc(O[C@@H](C)C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000249833723 153711001 /nfs/dbraw/zinc/71/10/01/153711001.db2.gz QCCAEBZXTPEJJF-GJZGRUSLSA-N 0 3 288.391 2.069 10 0 CEAEHN CC[C@H](OC1CCCC1)c1nc([C@H]2CNCCN2C)no1 ZINC000263221680 154037340 /nfs/dbraw/zinc/03/73/40/154037340.db2.gz LZDMKJSIIMOOEN-OLZOCXBDSA-N 0 3 294.399 2.056 10 0 CEAEHN Cc1cccc2cc(-c3nc([C@H]4CNCCN4C)no3)oc21 ZINC000263226124 154039229 /nfs/dbraw/zinc/03/92/29/154039229.db2.gz MTMFKVGPIIBNIP-GFCCVEGCSA-N 0 3 298.346 2.367 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(/C=C/C2CCCCC2)n1 ZINC000263266375 154045303 /nfs/dbraw/zinc/04/53/03/154045303.db2.gz RPBMSEOXUDZNIY-SBDDDAINSA-N 0 3 276.384 2.239 10 0 CEAEHN CC[C@@H]([NH2+]C1CC(N(CC)CC(=O)[O-])C1)C1CCC1 ZINC000263522371 154110600 /nfs/dbraw/zinc/11/06/00/154110600.db2.gz RREJXZQTPDZXKO-JXQTWKCFSA-N 0 3 268.401 2.092 10 0 CEAEHN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCN2CCC[C@@H]2C1 ZINC000175742691 304393420 /nfs/dbraw/zinc/39/34/20/304393420.db2.gz MMIYZGMMDMFVOH-HHXXYDBFSA-N 0 3 296.414 2.197 10 0 CEAEHN C[C@H](CCN[C@H](C)c1cnccn1)NC(=O)OC(C)(C)C ZINC000180519963 298441371 /nfs/dbraw/zinc/44/13/71/298441371.db2.gz VNQBVTMNTAZQKK-VXGBXAGGSA-N 0 3 294.399 2.431 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000161700853 162332021 /nfs/dbraw/zinc/33/20/21/162332021.db2.gz PWQPQHAPXFLTKI-MJBXVCDLSA-N 0 3 282.428 2.310 10 0 CEAEHN CC[C@H](OC1CCCC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171976326 162392570 /nfs/dbraw/zinc/39/25/70/162392570.db2.gz XLOPTFOIFNYPJC-HIFRSBDPSA-N 0 3 280.412 2.031 10 0 CEAEHN CCN1CCC[C@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000167069754 165034710 /nfs/dbraw/zinc/03/47/10/165034710.db2.gz ISVFCYRXGXWGKV-VIFPVBQESA-N 0 3 274.290 2.392 10 0 CEAEHN CCCCC[C@H](C)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171897361 165052203 /nfs/dbraw/zinc/05/22/03/165052203.db2.gz OPXIBKNRCDYYNS-UONOGXRCSA-N 0 3 267.417 2.445 10 0 CEAEHN O=C(NCc1ccc(Cl)s1)N1CCN2CCC[C@@H]2C1 ZINC000171901821 165054540 /nfs/dbraw/zinc/05/45/40/165054540.db2.gz OOYDISCTYMFKQC-SNVBAGLBSA-N 0 3 299.827 2.391 10 0 CEAEHN CCN(CC)CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173751447 165083002 /nfs/dbraw/zinc/08/30/02/165083002.db2.gz AQAIJQLRWHXQSV-ZDUSSCGKSA-N 0 3 295.452 2.499 10 0 CEAEHN CC(C)CSCCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000178957114 165264273 /nfs/dbraw/zinc/26/42/73/165264273.db2.gz AHXGYOSUIUXOEG-AWEZNQCLSA-N 0 3 299.484 2.255 10 0 CEAEHN O=C(Nc1ccc2c(c1)COC2)N1CCN2CCC[C@@H]2C1 ZINC000179413973 165278545 /nfs/dbraw/zinc/27/85/45/165278545.db2.gz QSPOCRGDAFLNIX-OAHLLOKOSA-N 0 3 287.363 2.029 10 0 CEAEHN CC[C@H]1CN(Cc2cnn(C(C)C)c2)CCN1CCOC ZINC000179512664 165284702 /nfs/dbraw/zinc/28/47/02/165284702.db2.gz ZRJNGVXEMOLJGX-INIZCTEOSA-N 0 3 294.443 2.007 10 0 CEAEHN CCc1cccc(CC)c1NS(=O)(=O)[C@H]1CCCNC1 ZINC000019515391 170822386 /nfs/dbraw/zinc/82/23/86/170822386.db2.gz FFAWUTGNSOIKIO-AWEZNQCLSA-N 0 3 296.436 2.305 10 0 CEAEHN C[C@@H](NCCC(=O)N1CCCC1)c1ccc(F)cc1 ZINC000020127228 171012020 /nfs/dbraw/zinc/01/20/20/171012020.db2.gz IGANAFATPIIWCB-GFCCVEGCSA-N 0 3 264.344 2.489 10 0 CEAEHN CC[C@@H]([C@H](N)c1ccccc1)N1CCN(CC)CC1 ZINC000020260060 171116175 /nfs/dbraw/zinc/11/61/75/171116175.db2.gz YIWUMKODFNNSNO-JKSUJKDBSA-N 0 3 261.413 2.103 10 0 CEAEHN CCCCOCCO[C@H]1COc2ccccc2[C@H]1N ZINC000020509985 171230236 /nfs/dbraw/zinc/23/02/36/171230236.db2.gz KGZYTRPVENAREO-LSDHHAIUSA-N 0 3 265.353 2.281 10 0 CEAEHN O=C(CNC1CCCC1)Nc1ccc(Br)cn1 ZINC000021265161 171300510 /nfs/dbraw/zinc/30/05/10/171300510.db2.gz NYCLOZJWPXOACB-UHFFFAOYSA-N 0 3 298.184 2.315 10 0 CEAEHN CCCN(CCC)CC(=O)Nc1ccc(F)c(N)c1 ZINC000022151432 171358656 /nfs/dbraw/zinc/35/86/56/171358656.db2.gz KPHYXJBPBCAARF-UHFFFAOYSA-N 0 3 267.348 2.468 10 0 CEAEHN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1CN ZINC000022171565 171368116 /nfs/dbraw/zinc/36/81/16/171368116.db2.gz ULZMUNYPWKCQTH-DGCLKSJQSA-N 0 3 282.409 2.002 10 0 CEAEHN CCCCS(=O)(=O)[N-]c1ccccc1[C@H](C)[NH3+] ZINC000022211057 171373370 /nfs/dbraw/zinc/37/33/70/171373370.db2.gz NVMHXSLBIVMXHD-JTQLQIEISA-N 0 3 256.371 2.248 10 0 CEAEHN NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000022216049 171375762 /nfs/dbraw/zinc/37/57/62/171375762.db2.gz JHLCTKRJCCGYFE-INIZCTEOSA-N 0 3 253.349 2.140 10 0 CEAEHN C[C@@H](NCC(=O)Nc1c(F)cccc1F)C1CC1 ZINC000035174497 172027844 /nfs/dbraw/zinc/02/78/44/172027844.db2.gz LWDMMYJXKVHMBJ-MRVPVSSYSA-N 0 3 254.280 2.291 10 0 CEAEHN NCc1cnc(-c2ccc(Br)cc2)nc1 ZINC000035323082 172125559 /nfs/dbraw/zinc/12/55/59/172125559.db2.gz UKUGBMCVJRXSHM-UHFFFAOYSA-N 0 3 264.126 2.365 10 0 CEAEHN C[C@H](NC1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000035652249 172328674 /nfs/dbraw/zinc/32/86/74/172328674.db2.gz JOHJFNJHKCFHQA-JTQLQIEISA-N 0 3 271.357 2.054 10 0 CEAEHN Cc1ccsc1[C@H](CN)N(C)[C@@H]1CCSC1 ZINC000037174487 173008404 /nfs/dbraw/zinc/00/84/04/173008404.db2.gz VJJHUYQOCGCYRG-MNOVXSKESA-N 0 3 256.440 2.494 10 0 CEAEHN COC(=O)c1ccccc1CN[C@H](C)[C@@H]1CCCO1 ZINC000037242272 173058431 /nfs/dbraw/zinc/05/84/31/173058431.db2.gz COBIOCBWSZMLED-RISCZKNCSA-N 0 3 263.337 2.130 10 0 CEAEHN CNC(=O)CN[C@@H](Cc1cccs1)c1cccs1 ZINC000037254198 173065407 /nfs/dbraw/zinc/06/54/07/173065407.db2.gz SRBXINDDBKTLOK-NSHDSACASA-N 0 3 280.418 2.429 10 0 CEAEHN COC1CCN([C@@H](CN)c2cccc(Cl)c2)CC1 ZINC000037265871 173074569 /nfs/dbraw/zinc/07/45/69/173074569.db2.gz RNQTWKBMACDQQT-AWEZNQCLSA-N 0 3 268.788 2.451 10 0 CEAEHN Cc1cccc([C@@H](N)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000037308709 173111772 /nfs/dbraw/zinc/11/17/72/173111772.db2.gz WHANAHKXJPEWNH-CQSZACIVSA-N 0 3 254.289 2.478 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc3ccccc3n2C2CC2)C1 ZINC000037323691 173124173 /nfs/dbraw/zinc/12/41/73/173124173.db2.gz YWKGLTGAOPARSE-YPMHNXCESA-N 0 3 257.337 2.421 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc3cc(Cl)ccc3n2C)C1 ZINC000037440317 173210171 /nfs/dbraw/zinc/21/01/71/173210171.db2.gz BNIWGQPZZFRNTG-ONGXEEELSA-N 0 3 265.744 2.276 10 0 CEAEHN N[C@@H](Cc1cccc(Br)c1)c1cnccn1 ZINC000037467120 173226934 /nfs/dbraw/zinc/22/69/34/173226934.db2.gz PEAQMGIWWQRZDQ-NSHDSACASA-N 0 3 278.153 2.482 10 0 CEAEHN CCOC(=O)[C@@H](NCCN(C)C)c1ccccc1Cl ZINC000037965190 173910285 /nfs/dbraw/zinc/91/02/85/173910285.db2.gz XLVKZDVPDMJGRW-ZDUSSCGKSA-N 0 3 284.787 2.095 10 0 CEAEHN C[C@@H](CNc1ccnc(C(=O)N(C)C)c1)N1CCCCC1 ZINC000038029268 174019773 /nfs/dbraw/zinc/01/97/73/174019773.db2.gz KADTZQGVBSKMPP-ZDUSSCGKSA-N 0 3 290.411 2.070 10 0 CEAEHN CC[C@H](C)N[C@@](CC)(C(N)=O)c1ccc(F)cc1 ZINC000038065511 174076313 /nfs/dbraw/zinc/07/63/13/174076313.db2.gz DCBUZVZBPJKZBY-IINYFYTJSA-N 0 3 252.333 2.304 10 0 CEAEHN C[C@@H](Cc1ccco1)NCc1ccccc1C(N)=O ZINC000038093045 174106908 /nfs/dbraw/zinc/10/69/08/174106908.db2.gz AOEMVUULZHUCCF-NSHDSACASA-N 0 3 258.321 2.099 10 0 CEAEHN C[C@H]1c2ccsc2CCN1C(=O)C1(N)CCCC1 ZINC000038100934 174116323 /nfs/dbraw/zinc/11/63/23/174116323.db2.gz BNFNOGQLNNTKOZ-JTQLQIEISA-N 0 3 264.394 2.465 10 0 CEAEHN C[C@H](NC(=O)CNC1CC1)c1ccc(Br)cc1 ZINC000040415377 174255691 /nfs/dbraw/zinc/25/56/91/174255691.db2.gz GNIICFZTXLSHDI-VIFPVBQESA-N 0 3 297.196 2.378 10 0 CEAEHN CSCC[C@H](N)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000040467333 174275357 /nfs/dbraw/zinc/27/53/57/174275357.db2.gz YRQXMLNHKATVIY-SRVKXCTJSA-N 0 3 258.431 2.104 10 0 CEAEHN CCCCN(CC(F)(F)F)C(=O)[C@@H](N)CCSC ZINC000040467781 174276486 /nfs/dbraw/zinc/27/64/86/174276486.db2.gz FDWRUANAGDZLHW-VIFPVBQESA-N 0 3 286.363 2.258 10 0 CEAEHN CC(C)C[C@H](N)C(=O)NCc1cc2c(s1)CCC2 ZINC000040627976 174356979 /nfs/dbraw/zinc/35/69/79/174356979.db2.gz RIAQNDQVCXIGML-LBPRGKRZSA-N 0 3 266.410 2.226 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3cc(C)oc3C)c[nH]2)C1 ZINC000040637754 174361634 /nfs/dbraw/zinc/36/16/34/174361634.db2.gz OSLFCXGPCYYEFM-ZYHUDNBSSA-N 0 3 261.325 2.336 10 0 CEAEHN C[C@@H](NCCc1nccn1C)c1nc2ccccc2n1C ZINC000040638812 174362705 /nfs/dbraw/zinc/36/27/05/174362705.db2.gz VZLLUXKAVXASFE-GFCCVEGCSA-N 0 3 283.379 2.200 10 0 CEAEHN COc1ccc2c(c1)[C@H](N[C@H]1CCCN(C)C1)CCO2 ZINC000040673109 174371603 /nfs/dbraw/zinc/37/16/03/174371603.db2.gz BQUXFVVDDFAICP-SWLSCSKDSA-N 0 3 276.380 2.203 10 0 CEAEHN CN1CCC[C@H](Nc2ccc3cc(N)ccc3n2)C1 ZINC000040715786 174382722 /nfs/dbraw/zinc/38/27/22/174382722.db2.gz BFWWBUWBMFDCQQ-ZDUSSCGKSA-N 0 3 256.353 2.323 10 0 CEAEHN CN(C)Nc1ncnc(Oc2cccc3cccnc32)c1N ZINC000040752116 174395507 /nfs/dbraw/zinc/39/55/07/174395507.db2.gz FWMZDYQAQANNMU-UHFFFAOYSA-N 0 3 296.334 2.288 10 0 CEAEHN Cc1nn(-c2ccc(Cl)nn2)c(C)c1CNC1CC1 ZINC000040932406 174436142 /nfs/dbraw/zinc/43/61/42/174436142.db2.gz WZGCHIKMILPMAL-UHFFFAOYSA-N 0 3 277.759 2.185 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccccc2OC(F)F)nn1 ZINC000070118800 414765373 /nfs/dbraw/zinc/76/53/73/414765373.db2.gz DGJAYBUJNLHCCW-UHFFFAOYSA-N 0 3 282.294 2.122 10 0 CEAEHN Fc1cccc(Cl)c1CN1CC[C@H]2OCCN[C@H]2C1 ZINC000404276189 414779337 /nfs/dbraw/zinc/77/93/37/414779337.db2.gz RYNSSRZULIIXLR-UONOGXRCSA-N 0 3 284.762 2.042 10 0 CEAEHN CN(C(=O)Cc1cccc(Cl)c1)[C@H](CN)C(F)(F)F ZINC000662979694 414816270 /nfs/dbraw/zinc/81/62/70/414816270.db2.gz XJJYMUWXNYKCAB-SNVBAGLBSA-N 0 3 294.704 2.231 10 0 CEAEHN CC(C)(C)n1cc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cn1 ZINC000660805490 414981178 /nfs/dbraw/zinc/98/11/78/414981178.db2.gz CSJKOLHSRQWDOX-RRFJBIMHSA-N 0 3 277.412 2.231 10 0 CEAEHN CC[C@H](N)[C@@H](c1cccc(F)c1)N(C)CC(=O)NC(C)C ZINC000042973029 174936577 /nfs/dbraw/zinc/93/65/77/174936577.db2.gz MEVFWAVUTPLEPO-GOEBONIOSA-N 0 3 295.402 2.061 10 0 CEAEHN Cn1cc([C@H](CN)Oc2ccc3c(c2)CCCC3)cn1 ZINC000043236778 174987604 /nfs/dbraw/zinc/98/76/04/174987604.db2.gz WADIQJRKGHHFER-INIZCTEOSA-N 0 3 271.364 2.378 10 0 CEAEHN CCN[C@@H](c1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043315512 175004780 /nfs/dbraw/zinc/00/47/80/175004780.db2.gz ZMSFVFQARNCYJD-UKRRQHHQSA-N 0 3 281.421 2.389 10 0 CEAEHN NC[C@H](c1ccncc1)N(Cc1ccco1)C1CC1 ZINC000043354772 175022137 /nfs/dbraw/zinc/02/21/37/175022137.db2.gz NLIAYHQVPYQBQA-OAHLLOKOSA-N 0 3 257.337 2.339 10 0 CEAEHN Cc1ccc([C@H](CN)Oc2cccc(S(C)(=O)=O)c2)o1 ZINC000043366994 175027026 /nfs/dbraw/zinc/02/70/26/175027026.db2.gz KMKARXKRUZWPRS-AWEZNQCLSA-N 0 3 295.360 2.070 10 0 CEAEHN CN[C@@H](CN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000043807983 175108943 /nfs/dbraw/zinc/10/89/43/175108943.db2.gz ITIUGCRVFUTTFI-ZDUSSCGKSA-N 0 3 288.313 2.298 10 0 CEAEHN CCCN[C@@H](CN1CCOCC1)c1cc(C)ccc1OC ZINC000043808706 175109001 /nfs/dbraw/zinc/10/90/01/175109001.db2.gz NOBOUWBKJOHPAF-INIZCTEOSA-N 0 3 292.423 2.377 10 0 CEAEHN CCN[C@@H](CN(C)CC)c1cc(OC)ccc1OC ZINC000043820455 175114024 /nfs/dbraw/zinc/11/40/24/175114024.db2.gz DBELRMHPAPCLBQ-AWEZNQCLSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@@H](CN(C)C1CC1)c1cc(OC)ccc1OC ZINC000043823166 175114852 /nfs/dbraw/zinc/11/48/52/175114852.db2.gz JUQIWXKVALNIMX-HNNXBMFYSA-N 0 3 278.396 2.449 10 0 CEAEHN CN[C@@H](CN(C)Cc1ccncc1)c1ccccc1OC ZINC000043893821 175118681 /nfs/dbraw/zinc/11/86/81/175118681.db2.gz OZPBNNJSTUUXQO-INIZCTEOSA-N 0 3 285.391 2.483 10 0 CEAEHN CCCN[C@H]1c2ccccc2OC[C@H]1N1CCOC[C@@H]1C ZINC000043891918 175118840 /nfs/dbraw/zinc/11/88/40/175118840.db2.gz GJDCCPWEKXLHBS-LXZKKBNFSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](CN(C)CC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000043900609 175122161 /nfs/dbraw/zinc/12/21/61/175122161.db2.gz KOPXQMVBTARHDK-JTQLQIEISA-N 0 3 290.285 2.170 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966160 175127458 /nfs/dbraw/zinc/12/74/58/175127458.db2.gz QPMMTRBJCOZGSE-JLJPHGGASA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](CN(CCOC)C1CC1)c1cc(C)ccc1OC ZINC000043969755 175131343 /nfs/dbraw/zinc/13/13/43/175131343.db2.gz DKAYYYGDEQHYMS-INIZCTEOSA-N 0 3 292.423 2.375 10 0 CEAEHN C[C@H](CN1CCCC1=O)N[C@H]1CCCc2cc(O)ccc21 ZINC000044747391 175243139 /nfs/dbraw/zinc/24/31/39/175243139.db2.gz IODGUQDFIYYSJM-WBMJQRKESA-N 0 3 288.391 2.370 10 0 CEAEHN CCCN(CCC)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044796530 175254479 /nfs/dbraw/zinc/25/44/79/175254479.db2.gz PHXYRAMEDBVAMV-HNNXBMFYSA-N 0 3 262.397 2.453 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@@H](C)NCCOCCC(C)C ZINC000045106866 175308400 /nfs/dbraw/zinc/30/84/00/175308400.db2.gz YDTMAUNRCXAEIY-UONOGXRCSA-N 0 3 272.433 2.332 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H]1CCCCN1C ZINC000045172745 175322399 /nfs/dbraw/zinc/32/23/99/175322399.db2.gz KQFJCLOTJVPMQS-RISCZKNCSA-N 0 3 264.417 2.172 10 0 CEAEHN CCN[C@](C)(CCN1CCC(C)CC1)C(=O)OCC ZINC000045225549 175333000 /nfs/dbraw/zinc/33/30/00/175333000.db2.gz KPFPFADFSZTQSG-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN1CCCCCC1)C(=O)[O-] ZINC000045228844 175334081 /nfs/dbraw/zinc/33/40/81/175334081.db2.gz LRZGKQZBUNTULZ-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@@](C)(CC[NH+](CCC)CCC)C(=O)[O-] ZINC000045230404 175334881 /nfs/dbraw/zinc/33/48/81/175334881.db2.gz AWSRTJDZJPTGPM-AWEZNQCLSA-N 0 3 258.406 2.341 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(CCC)CCC)C(=O)[O-] ZINC000045230404 175334883 /nfs/dbraw/zinc/33/48/83/175334883.db2.gz AWSRTJDZJPTGPM-AWEZNQCLSA-N 0 3 258.406 2.341 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)C1CCCCC1)C(=O)[O-] ZINC000045231223 175335054 /nfs/dbraw/zinc/33/50/54/175335054.db2.gz XBOFGZGFFJVNSY-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231223 175335056 /nfs/dbraw/zinc/33/50/56/175335056.db2.gz XBOFGZGFFJVNSY-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231223 175335058 /nfs/dbraw/zinc/33/50/58/175335058.db2.gz XBOFGZGFFJVNSY-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CCC[NH+](CCC)CC[C@@](C)(NC1CC1)C(=O)[O-] ZINC000045230420 175335293 /nfs/dbraw/zinc/33/52/93/175335293.db2.gz VPEQCYXMHKPYCN-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCOC(=O)[C@](CN(C)[C@@H](C)CC)(NC)c1ccccc1 ZINC000045263779 175337908 /nfs/dbraw/zinc/33/79/08/175337908.db2.gz PWFHDENKVCRFRP-WMLDXEAASA-N 0 3 292.423 2.395 10 0 CEAEHN CCC[N@H+](CC[C@](C)(NC(C)C)C(=O)[O-])C(C)C ZINC000045266874 175339403 /nfs/dbraw/zinc/33/94/03/175339403.db2.gz VAOONVSKIHTGNZ-AWEZNQCLSA-N 0 3 258.406 2.338 10 0 CEAEHN CCC[N@@H+](CC[C@](C)(NC(C)C)C(=O)[O-])C(C)C ZINC000045266874 175339404 /nfs/dbraw/zinc/33/94/04/175339404.db2.gz VAOONVSKIHTGNZ-AWEZNQCLSA-N 0 3 258.406 2.338 10 0 CEAEHN CCCN(CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000045266874 175339405 /nfs/dbraw/zinc/33/94/05/175339405.db2.gz VAOONVSKIHTGNZ-AWEZNQCLSA-N 0 3 258.406 2.338 10 0 CEAEHN CCCN(CC)C[C@@](NCC)(C(=O)OC)c1ccccc1 ZINC000045267457 175339566 /nfs/dbraw/zinc/33/95/66/175339566.db2.gz NLARNCIEAZCVJW-KRWDZBQOSA-N 0 3 292.423 2.396 10 0 CEAEHN CCCN[C@@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272090 175343011 /nfs/dbraw/zinc/34/30/11/175343011.db2.gz OQASZOKORXBVHO-UXLLHSPISA-N 0 3 296.455 2.430 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(CC(C)C)C1CC1)NC1CC1 ZINC000045277518 175347507 /nfs/dbraw/zinc/34/75/07/175347507.db2.gz JPHHUMOTCBHKLP-MRXNPFEDSA-N 0 3 282.428 2.181 10 0 CEAEHN CCN[C@](C)(CN(C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000045279952 175350175 /nfs/dbraw/zinc/35/01/75/175350175.db2.gz NIKAUUOSGDVWAG-DZGCQCFKSA-N 0 3 272.433 2.284 10 0 CEAEHN C[C@@H](NC[C@@H]1CC(=O)N(C)C1)c1cccc(F)c1F ZINC000658241650 415274618 /nfs/dbraw/zinc/27/46/18/415274618.db2.gz YNOGDCAQHLEBMY-ZJUUUORDSA-N 0 3 268.307 2.094 10 0 CEAEHN CCc1nc(N2C[C@@H](C)S[C@@H](C)C2)sc1CN ZINC000070387059 175905272 /nfs/dbraw/zinc/90/52/72/175905272.db2.gz YFNDDBZBMLRZMU-DTORHVGOSA-N 0 3 271.455 2.494 10 0 CEAEHN CCCNCc1ccc(-n2cc(C(F)(F)F)cn2)nn1 ZINC000070467756 175947803 /nfs/dbraw/zinc/94/78/03/175947803.db2.gz WRHNJCJDGDOIKX-UHFFFAOYSA-N 0 3 285.273 2.181 10 0 CEAEHN OC[C@](COCC(F)(F)F)(NC1CC1)c1ccccc1 ZINC000070517841 175965815 /nfs/dbraw/zinc/96/58/15/175965815.db2.gz GRCOMXMYXUFPQP-CYBMUJFWSA-N 0 3 289.297 2.205 10 0 CEAEHN NCc1ccnn1Cc1ccccc1Br ZINC000070708218 176002635 /nfs/dbraw/zinc/00/26/35/176002635.db2.gz ISQQGOXYXLWBFZ-UHFFFAOYSA-N 0 3 266.142 2.153 10 0 CEAEHN C[C@H](c1ccccc1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071032703 176023879 /nfs/dbraw/zinc/02/38/79/176023879.db2.gz HZSJSORIBVDVBE-IUODEOHRSA-N 0 3 258.365 2.491 10 0 CEAEHN Cc1ccc([C@H](C)N2CCC[C@@H](NC3CC3)C2=O)o1 ZINC000071033759 176024256 /nfs/dbraw/zinc/02/42/56/176024256.db2.gz CDOHXRJJLJTOQT-WCQYABFASA-N 0 3 262.353 2.392 10 0 CEAEHN C[C@@H](c1cccc(F)c1)N1CC[C@@H](NC2CC2)C1=O ZINC000071034924 176024558 /nfs/dbraw/zinc/02/45/58/176024558.db2.gz GSZALWPIFVLEAJ-IINYFYTJSA-N 0 3 262.328 2.240 10 0 CEAEHN Cc1ccc(CN2CCC[C@@H](NC3CC3)C2=O)s1 ZINC000071042032 176028434 /nfs/dbraw/zinc/02/84/34/176028434.db2.gz CXWMBTXJYNKIPC-CYBMUJFWSA-N 0 3 264.394 2.300 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1Cc1cccc(Cl)c1 ZINC000071042466 176028771 /nfs/dbraw/zinc/02/87/71/176028771.db2.gz IQLQXVQULNZZNV-ZDUSSCGKSA-N 0 3 264.756 2.193 10 0 CEAEHN C[C@H](c1ccsc1)N1CC[C@H](NC2CC2)C1=O ZINC000071042810 176029001 /nfs/dbraw/zinc/02/90/01/176029001.db2.gz QHGDVKYYUMEFQQ-SKDRFNHKSA-N 0 3 250.367 2.162 10 0 CEAEHN CN[C@H](C)c1cc(Cl)ccc1O[C@@H]1CCN(C)C1=O ZINC000071183087 176058308 /nfs/dbraw/zinc/05/83/08/176058308.db2.gz XDIURKZKOPLBQB-NOZJJQNGSA-N 0 3 282.771 2.230 10 0 CEAEHN CC(=O)c1cc(F)ccc1N(C)C[C@H]1CCN(C)C1 ZINC000071189371 176064579 /nfs/dbraw/zinc/06/45/79/176064579.db2.gz UPHBWTGUMNQSMG-LBPRGKRZSA-N 0 3 264.344 2.416 10 0 CEAEHN CCOC(=O)CCCCCNCc1cccnc1OC ZINC000071293566 176111887 /nfs/dbraw/zinc/11/18/87/176111887.db2.gz GHQLQTCBUSZZKW-UHFFFAOYSA-N 0 3 280.368 2.303 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1Cc1ccc(Cl)s1 ZINC000071321630 176122402 /nfs/dbraw/zinc/12/24/02/176122402.db2.gz SCCDXURHNAGUAD-JTQLQIEISA-N 0 3 270.785 2.254 10 0 CEAEHN Cc1cccnc1CNC(=O)Nc1cccc(CN)c1 ZINC000071345507 176131428 /nfs/dbraw/zinc/13/14/28/176131428.db2.gz GXVHGIBVJNIEDH-UHFFFAOYSA-N 0 3 270.336 2.170 10 0 CEAEHN CN(CCN1[C@@H]2CCC[C@H]1CC(=O)C2)C1CCCC1 ZINC000071379308 176143775 /nfs/dbraw/zinc/14/37/75/176143775.db2.gz KACLCAXYRFYSKE-GASCZTMLSA-N 0 3 264.413 2.447 10 0 CEAEHN CCN(CC)CCN[C@@](C)(C(=O)OC)C1CCCCC1 ZINC000071399827 176152242 /nfs/dbraw/zinc/15/22/42/176152242.db2.gz GFYHLXBULNPJJL-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCOC(=O)COc1ccc(C)cc1CNC(C)C ZINC000071406612 176155645 /nfs/dbraw/zinc/15/56/45/176155645.db2.gz SFKTVVHOXUVGIV-UHFFFAOYSA-N 0 3 265.353 2.435 10 0 CEAEHN CCS(=O)(=O)CCOc1ccc(C)cc1CNC(C)C ZINC000071406571 176155827 /nfs/dbraw/zinc/15/58/27/176155827.db2.gz VVRWBQFZRILANY-UHFFFAOYSA-N 0 3 299.436 2.307 10 0 CEAEHN Cc1ccc(OCCC(=O)N(C)C)c(CNC(C)C)c1 ZINC000071406455 176155975 /nfs/dbraw/zinc/15/59/75/176155975.db2.gz MFJDUBFFKDIIOE-UHFFFAOYSA-N 0 3 278.396 2.350 10 0 CEAEHN CCS(=O)(=O)CCOc1ccc(C)cc1CNC1CC1 ZINC000071406922 176156518 /nfs/dbraw/zinc/15/65/18/176156518.db2.gz QCKXRXLWRUORLC-UHFFFAOYSA-N 0 3 297.420 2.061 10 0 CEAEHN Cc1ccc(O[C@H]2CCCCNC2=O)c(CNC2CC2)c1 ZINC000071407037 176156537 /nfs/dbraw/zinc/15/65/37/176156537.db2.gz OXJMFGTXMYSEJH-INIZCTEOSA-N 0 3 288.391 2.295 10 0 CEAEHN CO[C@](C)(CN)c1ccc(Br)s1 ZINC000071571736 176197397 /nfs/dbraw/zinc/19/73/97/176197397.db2.gz CWAGANMSVVPVPN-MRVPVSSYSA-N 0 3 250.161 2.331 10 0 CEAEHN CN[C@H](C(=O)c1ccc(OC)c(C)c1OC)C(C)C ZINC000071597836 176221576 /nfs/dbraw/zinc/22/15/76/176221576.db2.gz QCHWAMCVHNAEEJ-ZDUSSCGKSA-N 0 3 265.353 2.439 10 0 CEAEHN Brc1ccccc1CC[C@H]1COCCN1 ZINC000071601322 176228376 /nfs/dbraw/zinc/22/83/76/176228376.db2.gz CCUPNTVHWAHUTO-NSHDSACASA-N 0 3 270.170 2.370 10 0 CEAEHN Cc1cc(Br)c2nc([C@H](C)N)cn2c1 ZINC000076792254 177097299 /nfs/dbraw/zinc/09/72/99/177097299.db2.gz DJLAZUGKEAGPPN-ZETCQYMHSA-N 0 3 254.131 2.425 10 0 CEAEHN Cc1ccc(C)c(CN2CCN(CCn3ccnc3)CC2)c1 ZINC000077120166 177226246 /nfs/dbraw/zinc/22/62/46/177226246.db2.gz HYKAZBAZXFIUNF-UHFFFAOYSA-N 0 3 298.434 2.318 10 0 CEAEHN C[C@@H](NCC1(O)CCCCC1)C(=O)Nc1ccccc1 ZINC000078515925 177349111 /nfs/dbraw/zinc/34/91/11/177349111.db2.gz QHCAVFZDTDICNW-CYBMUJFWSA-N 0 3 276.380 2.298 10 0 CEAEHN Cc1cc(N[C@H](C)CS(C)(=O)=O)c2ccccc2n1 ZINC000078637865 177362922 /nfs/dbraw/zinc/36/29/22/177362922.db2.gz WZMUBFBFRYCELJ-LLVKDONJSA-N 0 3 278.377 2.388 10 0 CEAEHN CN(C)C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000667770092 419795643 /nfs/dbraw/zinc/79/56/43/419795643.db2.gz OMTFDPQIHLWBMA-IXDOHACOSA-N 0 3 274.408 2.446 10 0 CEAEHN CSCCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000192932987 270281991 /nfs/dbraw/zinc/28/19/91/270281991.db2.gz SABNIWJBDLZBOG-CYBMUJFWSA-N 0 3 266.410 2.159 10 0 CEAEHN CCOc1ncccc1NC(=O)N[C@H]1CCCN(CC)C1 ZINC000194342045 270297918 /nfs/dbraw/zinc/29/79/18/270297918.db2.gz UTDXELPQOMKDDL-LBPRGKRZSA-N 0 3 292.383 2.086 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@@H](CNCc2ccno2)C1 ZINC000231884568 270314730 /nfs/dbraw/zinc/31/47/30/270314730.db2.gz HJHXJUSJQPBJOX-LBPRGKRZSA-N 0 3 295.383 2.411 10 0 CEAEHN CC1(C)CCCN[C@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000232947283 273579986 /nfs/dbraw/zinc/57/99/86/273579986.db2.gz UIDCPZBPRYWRRQ-JSGCOSHPSA-N 0 3 274.364 2.015 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](OC)c1ccccc1)N(C)C ZINC000178651744 276038386 /nfs/dbraw/zinc/03/83/86/276038386.db2.gz WXFTXHUTKYENER-CABCVRRESA-N 0 3 278.396 2.221 10 0 CEAEHN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)N)o1 ZINC000157379336 276690708 /nfs/dbraw/zinc/69/07/08/276690708.db2.gz IJPCTNSJFYWJCN-LOWVWBTDSA-N 0 3 264.369 2.489 10 0 CEAEHN C[C@@H](N[C@H]1CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000219241379 277634366 /nfs/dbraw/zinc/63/43/66/277634366.db2.gz HJTKKSLWKPQDJG-PWSUYJOCSA-N 0 3 285.434 2.246 10 0 CEAEHN C[C@H]1CC(NC(=O)[C@]2(C)CCCCN2)C[C@H](C)C1 ZINC000136188644 278326192 /nfs/dbraw/zinc/32/61/92/278326192.db2.gz FRZYQXKDTKDYBH-JMSVASOKSA-N 0 3 252.402 2.460 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1 ZINC000105872287 278376297 /nfs/dbraw/zinc/37/62/97/278376297.db2.gz WDKFSRRCCVLDSE-MWLCHTKSSA-N 0 3 278.306 2.222 10 0 CEAEHN Cc1cnc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)o1 ZINC000374175918 279011795 /nfs/dbraw/zinc/01/17/95/279011795.db2.gz URZXIFJDTJWOEA-MCIONIFRSA-N 0 3 264.369 2.499 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000282289568 279027026 /nfs/dbraw/zinc/02/70/26/279027026.db2.gz IYFWKQPONNMSNE-CABZTGNLSA-N 0 3 286.297 2.462 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ncc(F)cc1F ZINC000191963644 279133238 /nfs/dbraw/zinc/13/32/38/279133238.db2.gz DEDMMCZBHCZGAX-LLVKDONJSA-N 0 3 285.338 2.066 10 0 CEAEHN C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)N1CCC[C@@H](C)C1 ZINC000249208044 279341144 /nfs/dbraw/zinc/34/11/44/279341144.db2.gz CDKCTLBICRISGE-APIJFGDWSA-N 0 3 282.428 2.038 10 0 CEAEHN CCC[C@@H](C(=O)NCC[C@@H](OCC)C(C)C)N(C)C ZINC000126712750 279840746 /nfs/dbraw/zinc/84/07/46/279840746.db2.gz GQVIRTORANHAOP-UONOGXRCSA-N 0 3 272.433 2.284 10 0 CEAEHN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000249299842 280027990 /nfs/dbraw/zinc/02/79/90/280027990.db2.gz NUVIYVJGJUSBAX-ZOBORPQBSA-N 0 3 252.402 2.123 10 0 CEAEHN C[NH+](C)[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000185820551 280126721 /nfs/dbraw/zinc/12/67/21/280126721.db2.gz REDOCUXSAAMBGR-ZDUSSCGKSA-N 0 3 288.391 2.047 10 0 CEAEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(Cl)c(F)c1 ZINC000215000710 280207978 /nfs/dbraw/zinc/20/79/78/280207978.db2.gz JZHBFVRDGJQZRE-ZYHUDNBSSA-N 0 3 286.778 2.460 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1scnc1C1CC1 ZINC000245854900 280262548 /nfs/dbraw/zinc/26/25/48/280262548.db2.gz JXNZFTJRGZFAQZ-PWSUYJOCSA-N 0 3 291.420 2.329 10 0 CEAEHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000246104191 280274117 /nfs/dbraw/zinc/27/41/17/280274117.db2.gz QJXLNFMRDHLERF-BARDWOONSA-N 0 3 279.428 2.301 10 0 CEAEHN COC(=O)[C@@H]1CCCN(CCN(C)c2ccccc2)C1 ZINC000246126608 280275644 /nfs/dbraw/zinc/27/56/44/280275644.db2.gz AQKZNTNUJYWMBH-CQSZACIVSA-N 0 3 276.380 2.008 10 0 CEAEHN CCSCC[C@@H](C)NC(=O)N[C@H]1CCCN(CC)C1 ZINC000246368378 280289306 /nfs/dbraw/zinc/28/93/06/280289306.db2.gz QDACUQPYAZPDMT-OLZOCXBDSA-N 0 3 287.473 2.302 10 0 CEAEHN CN(CCN1CCN2CCCC[C@H]2C1)c1ccccc1 ZINC000246752383 280308878 /nfs/dbraw/zinc/30/88/78/280308878.db2.gz ZJNQKHFUIJLACH-KRWDZBQOSA-N 0 3 273.424 2.293 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccnn2C)C12CCOCC2 ZINC000248877787 280371078 /nfs/dbraw/zinc/37/10/78/280371078.db2.gz JVYUTHWQFXXKDE-BPLDGKMQSA-N 0 3 293.411 2.045 10 0 CEAEHN CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000248996901 280378736 /nfs/dbraw/zinc/37/87/36/280378736.db2.gz MHFVKRHFSBKYHZ-MGPQQGTHSA-N 0 3 252.402 2.365 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C/c2cncc(C)c2)C1 ZINC000151552431 289061199 /nfs/dbraw/zinc/06/11/99/289061199.db2.gz JSFQTYKVIFHHCD-LQYUOIDQSA-N 0 3 273.380 2.004 10 0 CEAEHN COc1cc([C@H](C)NC[C@H](C)N2CCOCC2)ccc1F ZINC000152726100 289096261 /nfs/dbraw/zinc/09/62/61/289096261.db2.gz VLTUPQKRMHIMQC-STQMWFEESA-N 0 3 296.386 2.206 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC000155427085 289174138 /nfs/dbraw/zinc/17/41/38/289174138.db2.gz YIJYIRPKGFNMPD-CJNGLKHVSA-N 0 3 289.423 2.211 10 0 CEAEHN CC1CCC(CN2CCO[C@H](CN(C)C)C2)CC1 ZINC000156650082 289199947 /nfs/dbraw/zinc/19/99/47/289199947.db2.gz XZPXXDWXPYJYGA-YMAMQOFZSA-N 0 3 254.418 2.075 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)N1CCc2ccccc21 ZINC000246450166 297098023 /nfs/dbraw/zinc/09/80/23/297098023.db2.gz MRXORTGUCWRAIY-HIFRSBDPSA-N 0 3 285.391 2.338 10 0 CEAEHN C[C@H](NCC1CC(O)C1)c1cncc(Br)c1 ZINC000528018604 297778502 /nfs/dbraw/zinc/77/85/02/297778502.db2.gz NBHNHQVRNTVHAB-QTZUAFFRSA-N 0 3 285.185 2.266 10 0 CEAEHN CC(C)N(Cc1ccnc(C(N)=S)c1)CC1CC1 ZINC000068752545 519662297 /nfs/dbraw/zinc/66/22/97/519662297.db2.gz QMKBBPCHFNKOQH-UHFFFAOYSA-N 0 3 263.410 2.336 10 0 CEAEHN CC(C)NCc1cnn([C@H]2CCCCC[C@H]2O)c1 ZINC000054600478 519728316 /nfs/dbraw/zinc/72/83/16/519728316.db2.gz GNAHTGWYYAWMFW-UONOGXRCSA-N 0 3 251.374 2.247 10 0 CEAEHN CCCC1CCN(CC[C@@](C)(N)C(=O)OCC)CC1 ZINC000050905723 519901711 /nfs/dbraw/zinc/90/17/11/519901711.db2.gz TZYDIMLKZHDWFD-OAHLLOKOSA-N 0 3 270.417 2.169 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(OCC)c(OC)c1 ZINC000061291938 519907533 /nfs/dbraw/zinc/90/75/33/519907533.db2.gz UQFFWDLXCMGIBP-UHFFFAOYSA-N 0 3 280.368 2.421 10 0 CEAEHN CCNCc1cc(CN(CCOC)[C@H](C)CC)on1 ZINC000052547321 519987238 /nfs/dbraw/zinc/98/72/38/519987238.db2.gz YXJJFMVUJMURRA-GFCCVEGCSA-N 0 3 269.389 2.031 10 0 CEAEHN CCCN[C@H](CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442989 520069324 /nfs/dbraw/zinc/06/93/24/520069324.db2.gz MNHPVSYIIJMZAX-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@H](CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000062442989 520069332 /nfs/dbraw/zinc/06/93/32/520069332.db2.gz MNHPVSYIIJMZAX-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCC[NH2+][C@H](CCN(C)C1CCCCC1)C(=O)[O-] ZINC000062442989 520069339 /nfs/dbraw/zinc/06/93/39/520069339.db2.gz MNHPVSYIIJMZAX-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@H](CSCc1cccc(C)c1)C(N)=O ZINC000054966455 520084388 /nfs/dbraw/zinc/08/43/88/520084388.db2.gz HTQXOFDGLXWTDJ-CYBMUJFWSA-N 0 3 266.410 2.082 10 0 CEAEHN CCN[C@@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689757 520136183 /nfs/dbraw/zinc/13/61/83/520136183.db2.gz NLVHHBUHGUWFQA-NSHDSACASA-N 0 3 276.149 2.405 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Sc1cccc(OC)c1)C(N)=O ZINC000068634254 520142016 /nfs/dbraw/zinc/14/20/16/520142016.db2.gz NFAITBODKLDVJJ-ABAIWWIYSA-N 0 3 296.436 2.419 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1ccc(C)c(C)c1)C(N)=O ZINC000068656042 520147096 /nfs/dbraw/zinc/14/70/96/520147096.db2.gz RSIZTTYVEHAWSN-BBRMVZONSA-N 0 3 278.396 2.314 10 0 CEAEHN CCN[C@@](CN(C)CC1CCC1)(C(=O)OCC)C1CC1 ZINC000069231933 520150023 /nfs/dbraw/zinc/15/00/23/520150023.db2.gz KIUBEZPYMMHKOB-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN(CC)c1nc(C)c(CNC(C)C)c(C)n1 ZINC000054854328 520925349 /nfs/dbraw/zinc/92/53/49/520925349.db2.gz IUVLCKZELDBREQ-UHFFFAOYSA-N 0 3 250.390 2.438 10 0 CEAEHN CC[C@@H](C)CNS(=O)(=O)c1cccc([C@H](C)NC)c1 ZINC000054489147 521998049 /nfs/dbraw/zinc/99/80/49/521998049.db2.gz BCDCJVRQPGJHOP-NEPJUHHUSA-N 0 3 284.425 2.291 10 0 CEAEHN CNCc1ccccc1OCCN(C)CC(F)(F)F ZINC000052483303 522140345 /nfs/dbraw/zinc/14/03/45/522140345.db2.gz UGBDAGFHZCNCRB-UHFFFAOYSA-N 0 3 276.302 2.279 10 0 CEAEHN CNCc1cnc(N2C[C@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000051399808 522149627 /nfs/dbraw/zinc/14/96/27/522149627.db2.gz KZLVEYFOFKQCIS-UWVGGRQHSA-N 0 3 269.776 2.068 10 0 CEAEHN CNCc1nc(C(C)C)ncc1N(C)[C@H]1CCSC1 ZINC000051442336 522152567 /nfs/dbraw/zinc/15/25/67/522152567.db2.gz HGSACBJAVMTNMG-NSHDSACASA-N 0 3 280.441 2.261 10 0 CEAEHN COC(=O)c1cc(CN2CCC[C@H]2CCCO)cs1 ZINC000411218528 533793037 /nfs/dbraw/zinc/79/30/37/533793037.db2.gz OOLXYNWMYHKUHA-LBPRGKRZSA-N 0 3 283.393 2.272 10 0 CEAEHN COC[C@@H](C)N(C)Cc1csc(CNC(C)(C)C)n1 ZINC000052511279 522221206 /nfs/dbraw/zinc/22/12/06/522221206.db2.gz AOZFJWHGRPYAFI-LLVKDONJSA-N 0 3 285.457 2.498 10 0 CEAEHN CCc1nc(N(C)[C@H](C)COC)sc1CNC1CC1 ZINC000054998834 522381046 /nfs/dbraw/zinc/38/10/46/522381046.db2.gz WJLLXTGSKFPVEC-SNVBAGLBSA-N 0 3 283.441 2.429 10 0 CEAEHN CC(C)(C)N1CCN(Cc2ccc(CNC3CC3)o2)CC1 ZINC000052571625 518713810 /nfs/dbraw/zinc/71/38/10/518713810.db2.gz DGPSXPPVUKKCFA-UHFFFAOYSA-N 0 3 291.439 2.448 10 0 CEAEHN CC(C)(C)NCc1c(Cl)cccc1N1CCNC(=O)C1 ZINC000062734820 518762468 /nfs/dbraw/zinc/76/24/68/518762468.db2.gz PQKKEOJYNPNING-UHFFFAOYSA-N 0 3 295.814 2.164 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(CCOCC3CC3)C2)no1 ZINC000172771254 534411522 /nfs/dbraw/zinc/41/15/22/534411522.db2.gz GBGZQPSGYRUOGF-AWEZNQCLSA-N 0 3 279.384 2.059 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCC(=O)Nc1ccccc1F ZINC000049555995 519340198 /nfs/dbraw/zinc/34/01/98/519340198.db2.gz KOFSNVSXBGMBDW-CYBMUJFWSA-N 0 3 295.402 2.330 10 0 CEAEHN CC(C)N1CCN(Cc2ccc(Cl)cc2N)CC1 ZINC000050442961 519682318 /nfs/dbraw/zinc/68/23/18/519682318.db2.gz VWZHHEBYQQRCOK-UHFFFAOYSA-N 0 3 267.804 2.448 10 0 CEAEHN CC(C)N[C@@](CO[C@@H]1CCC[C@@H](C)C1)(C(N)=O)C1CC1 ZINC000069195367 519737640 /nfs/dbraw/zinc/73/76/40/519737640.db2.gz WXTXRUVOVHCJDN-XNRPHZJLSA-N 0 3 282.428 2.214 10 0 CEAEHN CC(C)OC(=O)COc1cc(F)ccc1[C@H](C)N ZINC000062745117 519747485 /nfs/dbraw/zinc/74/74/85/519747485.db2.gz RAMVSBSVAJIUMS-VIFPVBQESA-N 0 3 255.289 2.176 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670581 519775680 /nfs/dbraw/zinc/77/56/80/519775680.db2.gz NBPCVUMASZBJQH-AWEZNQCLSA-N 0 3 288.395 2.269 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@@H](CN2CCC(CO)CC2)C1 ZINC000054558811 519801772 /nfs/dbraw/zinc/80/17/72/519801772.db2.gz NEZIPMQNXIAMKX-HUUCEWRRSA-N 0 3 267.413 2.332 10 0 CEAEHN CCCN1CCC(O)([C@H](C(=O)OCC)C(C)C)CC1 ZINC000052254638 519847928 /nfs/dbraw/zinc/84/79/28/519847928.db2.gz RZVOIQLTXARENR-ZDUSSCGKSA-N 0 3 271.401 2.059 10 0 CEAEHN CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)N ZINC000062745686 519888751 /nfs/dbraw/zinc/88/87/51/519888751.db2.gz HYXIUJUWAKCESG-NXEZZACHSA-N 0 3 268.332 2.139 10 0 CEAEHN CCCC1CCN(C[C@](NC)(C(=O)OCC)C2CC2)CC1 ZINC000069231676 519902077 /nfs/dbraw/zinc/90/20/77/519902077.db2.gz SYJIHMRCSQSRCV-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCC1CCN(C[C@@](N)(C(=O)OCC)C2CC2)CC1 ZINC000069231663 519902378 /nfs/dbraw/zinc/90/23/78/519902378.db2.gz NSBDBUUUGVWTQZ-INIZCTEOSA-N 0 3 282.428 2.169 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(C)cc1C(=O)OC ZINC000061290695 519906512 /nfs/dbraw/zinc/90/65/12/519906512.db2.gz WESUVHRNLAONLY-UHFFFAOYSA-N 0 3 278.352 2.108 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000061293787 519907586 /nfs/dbraw/zinc/90/75/86/519907586.db2.gz FYJPXZXJAQNRDQ-UHFFFAOYSA-N 0 3 287.367 2.107 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000061298728 519908046 /nfs/dbraw/zinc/90/80/46/519908046.db2.gz HDEORGNNJFGIJW-UHFFFAOYSA-N 0 3 289.383 2.339 10 0 CEAEHN CCNCc1c(C)nn([C@H]2CCCCC[C@H]2O)c1C ZINC000054600450 519985720 /nfs/dbraw/zinc/98/57/20/519985720.db2.gz HRDRGGKUHWHQNZ-LSDHHAIUSA-N 0 3 265.401 2.476 10 0 CEAEHN CCNCc1cc(CN2CCOCC2(C)C)c(C)o1 ZINC000052546204 519991689 /nfs/dbraw/zinc/99/16/89/519991689.db2.gz BAJBROJXZITFQE-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN CCNCc1cnc(N2CCN(C(C)(C)C)CC2)s1 ZINC000054908848 520015639 /nfs/dbraw/zinc/01/56/39/520015639.db2.gz AJVZOUBTSHVFDY-UHFFFAOYSA-N 0 3 282.457 2.173 10 0 CEAEHN CCNCc1nc(CN2CCN(CC(C)C)CC2)cs1 ZINC000055083060 520020256 /nfs/dbraw/zinc/02/02/56/520020256.db2.gz ZQGGMOZUJLPZHN-UHFFFAOYSA-N 0 3 296.484 2.026 10 0 CEAEHN CCNCc1nc(CN2C[C@H]3CC[C@@H]2C3)cs1 ZINC000052543773 520021924 /nfs/dbraw/zinc/02/19/24/520021924.db2.gz JVSZSMSVCDTMBT-CMPLNLGQSA-N 0 3 251.399 2.237 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCC(=O)NC(C)C)ccc21 ZINC000062805227 520027019 /nfs/dbraw/zinc/02/70/19/520027019.db2.gz MVHWEXJVAKHVCF-CQSZACIVSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCN[C@H](CN(C)C(C)(C)CC)C(=O)OCC ZINC000069446472 520081538 /nfs/dbraw/zinc/08/15/38/520081538.db2.gz BBSNHLDQXBITLN-GFCCVEGCSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCN[C@](CN(CCC)C1CC1)(C(=O)OC)C1CC1 ZINC000069098163 520119745 /nfs/dbraw/zinc/11/97/45/520119745.db2.gz GDEWHELTYLZCOB-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCN[C@](CN(C)[C@@H](C)CC)(C(=O)OC)C1CC1 ZINC000069096674 520120127 /nfs/dbraw/zinc/12/01/27/520120127.db2.gz VALSNUWSXPLQDK-WFASDCNBSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN[C@@](CN1CCC(CC)CC1)(C(=O)OCC)C1CC1 ZINC000069183863 520151140 /nfs/dbraw/zinc/15/11/40/520151140.db2.gz QPSWRQDFOVQTAD-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCN[C@@](CN1CCC(C)(C)CC1)(C(=O)OC)C1CC1 ZINC000069232035 520151253 /nfs/dbraw/zinc/15/12/53/520151253.db2.gz WHCLIPZNAHQWSE-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCNc1ccc(C)cc1C(=O)N[C@@H]1CCN(C)C1 ZINC000053004428 520154607 /nfs/dbraw/zinc/15/46/07/520154607.db2.gz VIJOEZFGHJRXDJ-CYBMUJFWSA-N 0 3 275.396 2.251 10 0 CEAEHN CCN[C@@](COc1ccc(C(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197025 520156325 /nfs/dbraw/zinc/15/63/25/520156325.db2.gz ACQFOQYFXXSKEE-QGZVFWFLSA-N 0 3 290.407 2.432 10 0 CEAEHN CCCCC[N@H+](CC[C@H](NCC)C(=O)[O-])C(C)C ZINC000062463204 520175853 /nfs/dbraw/zinc/17/58/53/520175853.db2.gz GJLMXBAVRSQNTQ-ZDUSSCGKSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCCC[N@@H+](CC[C@H](NCC)C(=O)[O-])C(C)C ZINC000062463204 520175860 /nfs/dbraw/zinc/17/58/60/520175860.db2.gz GJLMXBAVRSQNTQ-ZDUSSCGKSA-N 0 3 258.406 2.340 10 0 CEAEHN CCN[C@H](CCSc1ccc2c(c1)CCC2)C(N)=O ZINC000062600465 520194672 /nfs/dbraw/zinc/19/46/72/520194672.db2.gz PMFWVLQTFFBKIB-CQSZACIVSA-N 0 3 278.421 2.121 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1OC)[C@H]1COCCO1 ZINC000055300888 520206287 /nfs/dbraw/zinc/20/62/87/520206287.db2.gz HVBUBHNZEQVIRV-HUUCEWRRSA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1ccc2c(c1)CCC2)C(N)=O ZINC000068654505 520237757 /nfs/dbraw/zinc/23/77/57/520237757.db2.gz JZYJPYUZKXMOJR-SJKOYZFVSA-N 0 3 290.407 2.186 10 0 CEAEHN CCNc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)ccn1 ZINC000050777065 520264841 /nfs/dbraw/zinc/26/48/41/520264841.db2.gz IPMFNFICCFFLRM-CQSZACIVSA-N 0 3 292.427 2.220 10 0 CEAEHN CCO[C@@H]1C[C@@](N)(C(=O)N[C@H](C)C2CCCC2)C1(C)C ZINC000157483031 520396377 /nfs/dbraw/zinc/39/63/77/520396377.db2.gz LHLLRKHGPSPVAB-AXAPSJFSSA-N 0 3 282.428 2.214 10 0 CEAEHN CCCCOC(=O)COc1ccc2c(c1)OC[C@H]2NC ZINC000062804012 520714071 /nfs/dbraw/zinc/71/40/71/520714071.db2.gz VEFFRWLZIYIZSF-CYBMUJFWSA-N 0 3 279.336 2.062 10 0 CEAEHN CCC[C@@H](O)[C@H](CC)N1CCN(CC(C)C)CC1 ZINC000055080871 520808639 /nfs/dbraw/zinc/80/86/39/520808639.db2.gz HCSXQONIZHWORH-LSDHHAIUSA-N 0 3 256.434 2.200 10 0 CEAEHN CCOc1ccc(NC(=O)C(C)(C)NC)c(C)c1 ZINC000061316767 521052303 /nfs/dbraw/zinc/05/23/03/521052303.db2.gz HRMDIHFVBAGESG-UHFFFAOYSA-N 0 3 250.342 2.330 10 0 CEAEHN CCOC(=O)[C@@](C)(CCCN1Cc2ccccc2C1)NC ZINC000050912265 521145024 /nfs/dbraw/zinc/14/50/24/521145024.db2.gz CWUKWXKEFOXLRR-QGZVFWFLSA-N 0 3 290.407 2.324 10 0 CEAEHN CCOc1cccc(CNC(C)C)c1O[C@@H](CC)C(N)=O ZINC000061675790 521358330 /nfs/dbraw/zinc/35/83/30/521358330.db2.gz OUJAVFCBWKUAKB-ZDUSSCGKSA-N 0 3 294.395 2.226 10 0 CEAEHN CCN(Cc1ccccc1)c1ccnc(C(=N)N)c1 ZINC000061814048 521377028 /nfs/dbraw/zinc/37/70/28/521377028.db2.gz UZZWUAWMHBRBRM-UHFFFAOYSA-N 0 3 254.337 2.392 10 0 CEAEHN CCCc1cc(NN)nc(-c2cccc(OC)c2)n1 ZINC000051152681 521380418 /nfs/dbraw/zinc/38/04/18/521380418.db2.gz XLKIBJRIJFULOL-UHFFFAOYSA-N 0 3 258.325 2.390 10 0 CEAEHN CCOc1cccc(OCc2ccnc(C(=N)N)c2)c1 ZINC000068762709 521403965 /nfs/dbraw/zinc/40/39/65/521403965.db2.gz OBPBIBAJSWBNLP-UHFFFAOYSA-N 0 3 271.320 2.343 10 0 CEAEHN CCCc1ccc([C@@H](CN2CCN(C)C2=O)NC)cc1 ZINC000052885587 521415497 /nfs/dbraw/zinc/41/54/97/521415497.db2.gz WDUIOVPPQRTDHL-OAHLLOKOSA-N 0 3 275.396 2.267 10 0 CEAEHN CCCc1ccccc1-n1nnnc1CNCC(C)C ZINC000054762462 521430351 /nfs/dbraw/zinc/43/03/51/521430351.db2.gz MPQNAACNGPNOSF-UHFFFAOYSA-N 0 3 273.384 2.360 10 0 CEAEHN CCN(Cc1nc(NN)ccc1Cl)C[C@@H]1CCCO1 ZINC000061631328 521450788 /nfs/dbraw/zinc/45/07/88/521450788.db2.gz FJMRETQKJQGQOS-JTQLQIEISA-N 0 3 284.791 2.022 10 0 CEAEHN CCN([C@H](C)COC)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062711245 521477742 /nfs/dbraw/zinc/47/77/42/521477742.db2.gz JQWDUJJTSHERHA-RNCFNFMXSA-N 0 3 290.329 2.461 10 0 CEAEHN CCCN(CC)c1nc2ccccn2c1CNCCOC ZINC000062735247 521618786 /nfs/dbraw/zinc/61/87/86/521618786.db2.gz LSPWSNJAAHCIJN-UHFFFAOYSA-N 0 3 290.411 2.307 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2cccnc2)C1 ZINC000068587665 521619562 /nfs/dbraw/zinc/61/95/62/521619562.db2.gz DVTIPZMGDJBIAY-DZGCQCFKSA-N 0 3 290.411 2.268 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H](C)CC2)C1 ZINC000068884983 521619876 /nfs/dbraw/zinc/61/98/76/521619876.db2.gz BOTBYRRZCWYDTK-UONOGXRCSA-N 0 3 267.417 2.302 10 0 CEAEHN CCOC1CCN([C@H]2CNCc3ccccc32)CC1 ZINC000069266083 521658116 /nfs/dbraw/zinc/65/81/16/521658116.db2.gz JIRAXRXOWCTGQZ-INIZCTEOSA-N 0 3 260.381 2.332 10 0 CEAEHN COCC[C@H](N)c1nc(-c2ccc(OC)c(OC)c2)c[nH]1 ZINC000052811157 521951490 /nfs/dbraw/zinc/95/14/90/521951490.db2.gz VCDWTDSEYKHTBA-NSHDSACASA-N 0 3 291.351 2.130 10 0 CEAEHN CC[C@@H](C)CN(C)c1ncc(CNCCOC)s1 ZINC000054903124 521975631 /nfs/dbraw/zinc/97/56/31/521975631.db2.gz ONJORWHYMWESSU-LLVKDONJSA-N 0 3 271.430 2.361 10 0 CEAEHN CNCc1c(C)nn(C)c1N1CCC[C@@H](C)[C@@H]1C ZINC000050566044 522101571 /nfs/dbraw/zinc/10/15/71/522101571.db2.gz JURXGOIPVMLGJH-PWSUYJOCSA-N 0 3 250.390 2.073 10 0 CEAEHN CC[C@@H](C)N1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000055078007 522111584 /nfs/dbraw/zinc/11/15/84/522111584.db2.gz YBFXXIDASDKRAG-GDBMZVCRSA-N 0 3 289.423 2.019 10 0 CEAEHN CNCc1cc(Cn2cc(Br)cn2)c(C)o1 ZINC000052577586 522111974 /nfs/dbraw/zinc/11/19/74/522111974.db2.gz FCHUATDGQUNCDL-UHFFFAOYSA-N 0 3 284.157 2.315 10 0 CEAEHN CNCc1ccc(CN2CCN(c3ccccc3)CC2)o1 ZINC000052417307 522115918 /nfs/dbraw/zinc/11/59/18/522115918.db2.gz PNEHFFWCZUAGLC-UHFFFAOYSA-N 0 3 285.391 2.321 10 0 CEAEHN CNCc1ccc(Oc2cc(F)cc(F)c2)nn1 ZINC000054934398 522125094 /nfs/dbraw/zinc/12/50/94/522125094.db2.gz MBURTYRUMNKKSU-UHFFFAOYSA-N 0 3 251.236 2.267 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2ccccc2C(N)=S)CC1 ZINC000055066711 522125792 /nfs/dbraw/zinc/12/57/92/522125792.db2.gz PFIGVPRRDJJVMU-CYBMUJFWSA-N 0 3 291.464 2.237 10 0 CEAEHN CC[C@@H](C)N1CCN([C@@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055069439 522128499 /nfs/dbraw/zinc/12/84/99/522128499.db2.gz GVBZXMDHCPJUBA-OLMNPRSZSA-N 0 3 288.435 2.451 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(F)cc2CO)CC1 ZINC000055067969 522134257 /nfs/dbraw/zinc/13/42/57/522134257.db2.gz DABGEEHYXFKNFE-GFCCVEGCSA-N 0 3 266.360 2.239 10 0 CEAEHN CN(C)c1ccccc1NC(=O)[C@@H](CN)c1ccccc1 ZINC000061611775 522297178 /nfs/dbraw/zinc/29/71/78/522297178.db2.gz MICNJRQBDBVMGE-AWEZNQCLSA-N 0 3 283.375 2.434 10 0 CEAEHN CN[C@@H](C)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000054074525 522320237 /nfs/dbraw/zinc/32/02/37/522320237.db2.gz XSEMKUWEESVEQV-QMMMGPOBSA-N 0 3 263.728 2.435 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000052395619 522322625 /nfs/dbraw/zinc/32/26/25/522322625.db2.gz BLCNBGMWQSCQHG-BDAKNGLRSA-N 0 3 285.185 2.234 10 0 CEAEHN CN[C@@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632771 522420166 /nfs/dbraw/zinc/42/01/66/522420166.db2.gz RXFPXLDUSIARTC-BJJXKVORSA-N 0 3 282.428 2.482 10 0 CEAEHN CN[C@@](C)(C[C@H](C)[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632771 522420176 /nfs/dbraw/zinc/42/01/76/522420176.db2.gz RXFPXLDUSIARTC-BJJXKVORSA-N 0 3 282.428 2.482 10 0 CEAEHN COc1cc(CNCC2(O)CCCCCC2)ccn1 ZINC000062070227 522443980 /nfs/dbraw/zinc/44/39/80/522443980.db2.gz MHWXMXMMLLUYOY-UHFFFAOYSA-N 0 3 264.369 2.265 10 0 CEAEHN CC[C@H](NC(=O)c1c[nH]c(=NN)c(Cl)c1)C(C)C ZINC000051113493 522549680 /nfs/dbraw/zinc/54/96/80/522549680.db2.gz UXVBHUMGAHHOQX-JTQLQIEISA-N 0 3 270.764 2.185 10 0 CEAEHN CN(CC(F)(F)F)c1nc2c(s1)[C@H](N)CCC2 ZINC000054896137 522579363 /nfs/dbraw/zinc/57/93/63/522579363.db2.gz LOSZVIFWSGAQOC-ZCFIWIBFSA-N 0 3 265.304 2.478 10 0 CEAEHN CCc1nccn1-c1cnc(C(C)C)nc1CNC ZINC000051518111 522579596 /nfs/dbraw/zinc/57/95/96/522579596.db2.gz AKFZNGQTDKVQBU-UHFFFAOYSA-N 0 3 259.357 2.068 10 0 CEAEHN COC[C@H](C)N(C)Cc1c2ccccc2oc1CN ZINC000052511537 522592662 /nfs/dbraw/zinc/59/26/62/522592662.db2.gz ZVDMQOFZPHYCMP-NSHDSACASA-N 0 3 262.353 2.358 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784732 522654995 /nfs/dbraw/zinc/65/49/95/522654995.db2.gz PTHOBYHQIACRIP-NXEZZACHSA-N 0 3 269.213 2.452 10 0 CEAEHN CNc1nc2ccccc2cc1CN1CCC[C@H](CO)C1 ZINC000050791787 522690146 /nfs/dbraw/zinc/69/01/46/522690146.db2.gz OSOPQFQGHSBSOL-ZDUSSCGKSA-N 0 3 285.391 2.481 10 0 CEAEHN COc1cc(OC)c(OC)cc1CN[C@@H]1C[C@H]1C ZINC000052269563 522828131 /nfs/dbraw/zinc/82/81/31/522828131.db2.gz UUUOACBRDQFQSP-MWLCHTKSSA-N 0 3 251.326 2.210 10 0 CEAEHN CC[C@H]1CCCCN1Cc1ccnc(C(N)=S)c1 ZINC000068751897 523027966 /nfs/dbraw/zinc/02/79/66/523027966.db2.gz PJBDWBAJJYGGLI-LBPRGKRZSA-N 0 3 263.410 2.480 10 0 CEAEHN CN(C[C@H]1CCCO1)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710611 523127851 /nfs/dbraw/zinc/12/78/51/523127851.db2.gz AFNWTHWJLVUXQS-MFKMUULPSA-N 0 3 288.313 2.215 10 0 CEAEHN CC[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2CN)C1 ZINC000068602103 523143222 /nfs/dbraw/zinc/14/32/22/523143222.db2.gz RJRMWWIPLWAOLL-JSGCOSHPSA-N 0 3 296.436 2.392 10 0 CEAEHN CN(Cc1ccc(F)cc1)Cc1cccnc1C(=N)N ZINC000061658102 523251690 /nfs/dbraw/zinc/25/16/90/523251690.db2.gz ZRZXRPNZUNMIDE-UHFFFAOYSA-N 0 3 272.327 2.137 10 0 CEAEHN CN(Cc1ccnc(C(N)=S)c1)CC1CCCC1 ZINC000068753080 523451928 /nfs/dbraw/zinc/45/19/28/523451928.db2.gz CPISBBRHQQPJGZ-UHFFFAOYSA-N 0 3 263.410 2.338 10 0 CEAEHN CCn1cc([C@@H](N)c2ccc3ncccc3c2)cn1 ZINC000062802099 523464754 /nfs/dbraw/zinc/46/47/54/523464754.db2.gz QMPGDFQTPRGABU-HNNXBMFYSA-N 0 3 252.321 2.499 10 0 CEAEHN CN(Cc1cscn1)C[C@](C)(N)c1ccccc1 ZINC000052883605 523540452 /nfs/dbraw/zinc/54/04/52/523540452.db2.gz JSJHLYGOKCITFS-AWEZNQCLSA-N 0 3 261.394 2.449 10 0 CEAEHN COC(=O)[C@@H](CCN1CCCC(C)(C)C1)NC(C)C ZINC000069516713 523571218 /nfs/dbraw/zinc/57/12/18/523571218.db2.gz CMJOAWREFHUOPV-CYBMUJFWSA-N 0 3 270.417 2.038 10 0 CEAEHN CN(c1ccc(Br)cn1)[C@H]1CCCN(C)C1 ZINC000053250797 523633677 /nfs/dbraw/zinc/63/36/77/523633677.db2.gz VCGOKFAOMFYPPY-NSHDSACASA-N 0 3 284.201 2.375 10 0 CEAEHN CN1C(=O)C[C@@H](N)[C@H]1c1ccc(Cl)cc1Cl ZINC000062208841 523702503 /nfs/dbraw/zinc/70/25/03/523702503.db2.gz RGVFKTXRBWEYGZ-MWLCHTKSSA-N 0 3 259.136 2.224 10 0 CEAEHN CCn1nccc1[C@@H](Cc1nc(C)cs1)NC ZINC000069472217 523744336 /nfs/dbraw/zinc/74/43/36/523744336.db2.gz PQHYYMDCDRGLDR-SNVBAGLBSA-N 0 3 250.371 2.171 10 0 CEAEHN CN1CCC[C@@H](Nc2cccc(Br)n2)C1 ZINC000069017784 523818107 /nfs/dbraw/zinc/81/81/07/523818107.db2.gz FQPBGIJULWRNKM-SECBINFHSA-N 0 3 270.174 2.350 10 0 CEAEHN COCCNCCN(C)c1ccccc1C(F)(F)F ZINC000053706066 523937964 /nfs/dbraw/zinc/93/79/64/523937964.db2.gz KWIUBXDRZYCFAN-UHFFFAOYSA-N 0 3 276.302 2.378 10 0 CEAEHN COCCNC[C@](C)(O)c1ccc(Cl)cc1Cl ZINC000055033669 523944327 /nfs/dbraw/zinc/94/43/27/523944327.db2.gz QKKOMYCUGFNFCR-LBPRGKRZSA-N 0 3 278.179 2.437 10 0 CEAEHN COCCNCc1cc(F)ccc1N1CCCO[C@@H](C)C1 ZINC000062738352 523950335 /nfs/dbraw/zinc/95/03/35/523950335.db2.gz JMPQEVJCCJGHSC-ZDUSSCGKSA-N 0 3 296.386 2.177 10 0 CEAEHN COCCNCc1cc(F)ccc1N(CCOC)C1CC1 ZINC000062737379 523950447 /nfs/dbraw/zinc/95/04/47/523950447.db2.gz SDCDRFKGZDQLQG-UHFFFAOYSA-N 0 3 296.386 2.177 10 0 CEAEHN COCCNCc1ccc(Br)cc1N(C)C ZINC000062734864 523951325 /nfs/dbraw/zinc/95/13/25/523951325.db2.gz LFOADOBLHSEENK-UHFFFAOYSA-N 0 3 287.201 2.251 10 0 CEAEHN COCCNCc1cccc(OCCc2ccncc2)c1 ZINC000062731639 523954663 /nfs/dbraw/zinc/95/46/63/523954663.db2.gz IDKVTUWKQHVIGM-UHFFFAOYSA-N 0 3 286.375 2.439 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2cccc(N)c2C)CC1 ZINC000055063522 523957216 /nfs/dbraw/zinc/95/72/16/523957216.db2.gz WCUZBKHHEAIATA-ZDUSSCGKSA-N 0 3 261.413 2.493 10 0 CEAEHN COC(=O)[C@](C)(CCN1CCCC(C)(C)C1)NC(C)C ZINC000069517083 523998733 /nfs/dbraw/zinc/99/87/33/523998733.db2.gz KVAPKMXJJMIYMW-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2CN)[C@@H]1C ZINC000050564990 524237884 /nfs/dbraw/zinc/23/78/84/524237884.db2.gz XEAFWSYWBSEUFG-CHWSQXEVSA-N 0 3 296.436 2.096 10 0 CEAEHN C[C@H](CN1CCCCC1)NCc1nccn1C(F)F ZINC000049501706 524333935 /nfs/dbraw/zinc/33/39/35/524333935.db2.gz NWJALHFUOGUMMS-LLVKDONJSA-N 0 3 272.343 2.242 10 0 CEAEHN Cc1cc(C)c([C@H](N)Cn2ccc(=O)cc2)c(C)c1 ZINC000061627972 524335619 /nfs/dbraw/zinc/33/56/19/524335619.db2.gz UYNUKJXVYFMLEC-OAHLLOKOSA-N 0 3 256.349 2.474 10 0 CEAEHN C[C@@H](CCc1ccc(O)cc1)NCc1ccncn1 ZINC000054789506 524526264 /nfs/dbraw/zinc/52/62/64/524526264.db2.gz RMPWPRNQGONOSH-LBPRGKRZSA-N 0 3 257.337 2.293 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000062709364 524663975 /nfs/dbraw/zinc/66/39/75/524663975.db2.gz IXPANOBXWRQBCA-RVBZMBCESA-N 0 3 288.313 2.213 10 0 CEAEHN Cc1cccc(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)c1C ZINC000068655468 524776303 /nfs/dbraw/zinc/77/63/03/524776303.db2.gz NWWRKMDTJFWBGT-SJCJKPOMSA-N 0 3 290.407 2.457 10 0 CEAEHN COc1ccsc1C(=O)NC[C@@H](N)c1ccccc1 ZINC000161682911 524873807 /nfs/dbraw/zinc/87/38/07/524873807.db2.gz GMFYBTSZUKWAOR-LLVKDONJSA-N 0 3 276.361 2.187 10 0 CEAEHN COc1ccc(OC)c([C@H](N)Cc2cccnc2)c1 ZINC000055234825 524908433 /nfs/dbraw/zinc/90/84/33/524908433.db2.gz KDJLVTULWBRPNC-CQSZACIVSA-N 0 3 258.321 2.341 10 0 CEAEHN C[C@@H](N)c1cnc(N(C)Cc2cscn2)s1 ZINC000054896582 525033642 /nfs/dbraw/zinc/03/36/42/525033642.db2.gz APDUHJYUOJMQIU-SSDOTTSWSA-N 0 3 254.384 2.256 10 0 CEAEHN C[C@](N)(C(=O)Nc1nc(C2CC2)cs1)C1CC1 ZINC000049237156 525147515 /nfs/dbraw/zinc/14/75/15/525147515.db2.gz JAGZHSDDFYLUGT-GFCCVEGCSA-N 0 3 251.355 2.086 10 0 CEAEHN C[C@](O)(COc1ccc2c(c1)OC[C@@H]2N)c1ccccc1 ZINC000062803390 525183245 /nfs/dbraw/zinc/18/32/45/525183245.db2.gz HQCCGDWYAUVYBM-RDJZCZTQSA-N 0 3 285.343 2.365 10 0 CEAEHN COc1ccc([C@@H](O)[C@@H](N)c2ccccc2)cc1OC ZINC000054682352 525208886 /nfs/dbraw/zinc/20/88/86/525208886.db2.gz WTJNLWXCIYIEEW-JKSUJKDBSA-N 0 3 273.332 2.437 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](CN)c1ccccc1)c1ccncc1 ZINC000061611308 525262898 /nfs/dbraw/zinc/26/28/98/525262898.db2.gz RMKYDVWCQUDBST-DOMZBBRYSA-N 0 3 269.348 2.001 10 0 CEAEHN CS(=O)(=O)c1ccc(Sc2cc(CN)ccn2)cc1 ZINC000063131474 525265075 /nfs/dbraw/zinc/26/50/75/525265075.db2.gz WTEYCFFASLQIQG-UHFFFAOYSA-N 0 3 294.401 2.095 10 0 CEAEHN Cc1ccccc1SC[C@](NC1CC1)(C(N)=O)C1CC1 ZINC000069188280 525339679 /nfs/dbraw/zinc/33/96/79/525339679.db2.gz TVHXASXVIRWLFO-MRXNPFEDSA-N 0 3 290.432 2.473 10 0 CEAEHN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O ZINC000056194658 525606868 /nfs/dbraw/zinc/60/68/68/525606868.db2.gz KLBPIOAAHGOGMO-WDEREUQCSA-N 0 3 291.395 2.218 10 0 CEAEHN CSC[C@@H](C)CNC(=O)C[C@H](N)c1ccccc1 ZINC000069448775 525617134 /nfs/dbraw/zinc/61/71/34/525617134.db2.gz TWBNIBLCFPYQPF-AAEUAGOBSA-N 0 3 266.410 2.192 10 0 CEAEHN C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000050509519 525656215 /nfs/dbraw/zinc/65/62/15/525656215.db2.gz AJFRDKVIGLPPMT-YUELXQCFSA-N 0 3 276.380 2.132 10 0 CEAEHN C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000050509519 525656217 /nfs/dbraw/zinc/65/62/17/525656217.db2.gz AJFRDKVIGLPPMT-YUELXQCFSA-N 0 3 276.380 2.132 10 0 CEAEHN C[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000069141032 525680140 /nfs/dbraw/zinc/68/01/40/525680140.db2.gz LJUUQNZFWCVLQF-WBMJQRKESA-N 0 3 293.432 2.403 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(Cc2ccncc2)CCN1 ZINC000068693747 525902240 /nfs/dbraw/zinc/90/22/40/525902240.db2.gz UVKRHAGWZGFUTA-KRWDZBQOSA-N 0 3 267.376 2.402 10 0 CEAEHN COc1cccc(CNC(C)(C)C)c1OCCCO ZINC000062732259 526009115 /nfs/dbraw/zinc/00/91/15/526009115.db2.gz CYSUPQXFQKMKNX-UHFFFAOYSA-N 0 3 267.369 2.345 10 0 CEAEHN COc1cccc(COCc2cccnc2C(=N)N)c1 ZINC000061658486 526055454 /nfs/dbraw/zinc/05/54/54/526055454.db2.gz VUVNJBUUQBCKGJ-UHFFFAOYSA-N 0 3 271.320 2.091 10 0 CEAEHN C[C@@H](c1nc(-c2cnccn2)no1)[C@H](N)c1ccccc1 ZINC000157958759 526164630 /nfs/dbraw/zinc/16/46/30/526164630.db2.gz POVYHYCDCDHRDU-MFKMUULPSA-N 0 3 281.319 2.330 10 0 CEAEHN c1[nH]c2ccccc2c1CCNCc1ccncn1 ZINC000054788728 526393281 /nfs/dbraw/zinc/39/32/81/526393281.db2.gz GCZUSFOCUYINJJ-UHFFFAOYSA-N 0 3 252.321 2.290 10 0 CEAEHN Cc1oc(CN2CCOC[C@@H]2C)cc1CNC1CC1 ZINC000052475812 526771788 /nfs/dbraw/zinc/77/17/88/526771788.db2.gz QCQRMCWMWAOXTP-NSHDSACASA-N 0 3 264.369 2.061 10 0 CEAEHN N=C(N)c1cc(COc2cc(F)ccc2F)ccn1 ZINC000068762748 526819464 /nfs/dbraw/zinc/81/94/64/526819464.db2.gz PBCSIGWQNBGVBJ-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN N=C(N)c1cc(CN2CCCc3ccccc32)ccn1 ZINC000068761039 526819980 /nfs/dbraw/zinc/81/99/80/526819980.db2.gz MYVPMGFAMCCXGE-UHFFFAOYSA-N 0 3 266.348 2.318 10 0 CEAEHN Cc1nc(CNCCn2c(C)nc3ccccc32)c[nH]1 ZINC000054798587 526887812 /nfs/dbraw/zinc/88/78/12/526887812.db2.gz IMLSPIZALYSYQY-UHFFFAOYSA-N 0 3 269.352 2.166 10 0 CEAEHN Cc1ncc(CNCCn2c(C)nc3ccccc32)[nH]1 ZINC000054798587 526887818 /nfs/dbraw/zinc/88/78/18/526887818.db2.gz IMLSPIZALYSYQY-UHFFFAOYSA-N 0 3 269.352 2.166 10 0 CEAEHN Cc1nc(Cc2nc3c(s2)CNCC3)cs1 ZINC000055296771 526929161 /nfs/dbraw/zinc/92/91/61/526929161.db2.gz IRTBHAPFYHBYRI-UHFFFAOYSA-N 0 3 251.380 2.145 10 0 CEAEHN NC[C@@H](Sc1nnc2ccccn21)c1ccco1 ZINC000061406375 527206726 /nfs/dbraw/zinc/20/67/26/527206726.db2.gz AXEUYPHDVLGQIF-SNVBAGLBSA-N 0 3 260.322 2.114 10 0 CEAEHN NCc1cc(CN2CCC[C@@H]2c2cccnc2)ccn1 ZINC000068749633 527247490 /nfs/dbraw/zinc/24/74/90/527247490.db2.gz NQOBRBJCADZQNA-MRXNPFEDSA-N 0 3 268.364 2.272 10 0 CEAEHN NCc1cc(COc2cccc(F)c2F)ccn1 ZINC000068751919 527247799 /nfs/dbraw/zinc/24/77/99/527247799.db2.gz GSCGAGFSAIRMEL-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN NCc1cc2ccccc2nc1N1CCC[C@@H]1CCCO ZINC000052761680 527250223 /nfs/dbraw/zinc/25/02/23/527250223.db2.gz BSNDBMFIGKRVMW-OAHLLOKOSA-N 0 3 285.391 2.435 10 0 CEAEHN NCc1ccc(NC(=O)c2ccc3ncccc3c2)nc1 ZINC000061410589 527255612 /nfs/dbraw/zinc/25/56/12/527255612.db2.gz DUXAIAOBPXPGRQ-UHFFFAOYSA-N 0 3 278.315 2.341 10 0 CEAEHN N[C@@H](Cc1ccccc1Br)c1cncnc1 ZINC000055335183 527337609 /nfs/dbraw/zinc/33/76/09/527337609.db2.gz BCVNPKAXWBSTKD-LBPRGKRZSA-N 0 3 278.153 2.482 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc(Cl)c1 ZINC000062211705 527394404 /nfs/dbraw/zinc/39/44/04/527394404.db2.gz CSUAQNYUQPVGSK-GXTWGEPZSA-N 0 3 264.756 2.493 10 0 CEAEHN Cc1nn(C)c(-n2cc(-c3ccccc3)cn2)c1CN ZINC000054961625 527596426 /nfs/dbraw/zinc/59/64/26/527596426.db2.gz GZFYBWUBXDEDBI-UHFFFAOYSA-N 0 3 267.336 2.040 10 0 CEAEHN FC(F)(F)CO[C@@H]1CCC[C@@H](NCc2cncnc2)C1 ZINC000054767842 527671456 /nfs/dbraw/zinc/67/14/56/527671456.db2.gz DKXNXBYNBPCDIP-VXGBXAGGSA-N 0 3 289.301 2.456 10 0 CEAEHN FC(F)(F)CO[C@H]1CCC[C@H](NCc2ccncn2)C1 ZINC000054789530 527672041 /nfs/dbraw/zinc/67/20/41/527672041.db2.gz GOYVXJXBYDUSAB-JQWIXIFHSA-N 0 3 289.301 2.456 10 0 CEAEHN Cc1nn(C)c(N2CCSCC2)c1CNC(C)(C)C ZINC000062734938 527676632 /nfs/dbraw/zinc/67/66/32/527676632.db2.gz YWYNGYBKSPXDDR-UHFFFAOYSA-N 0 3 282.457 2.170 10 0 CEAEHN CCC[C@@H]1C[C@@H]1NCc1cc(C(=O)OC)c(C)n1C ZINC000291318817 527830940 /nfs/dbraw/zinc/83/09/40/527830940.db2.gz YPBJFSQHGBAEIA-RISCZKNCSA-N 0 3 264.369 2.398 10 0 CEAEHN CCCn1cc(CN[C@@H](CC(C)C)CN(C)C)cn1 ZINC000116916430 528846679 /nfs/dbraw/zinc/84/66/79/528846679.db2.gz XLVMPCBOFUHQGY-HNNXBMFYSA-N 0 3 266.433 2.359 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1noc(C(C)C)n1 ZINC000175335253 529098874 /nfs/dbraw/zinc/09/88/74/529098874.db2.gz QLSPZHUSKLQUKD-LBPRGKRZSA-N 0 3 266.389 2.109 10 0 CEAEHN CC(C)CNCc1cncc(N2C[C@@H](C)OC(C)(C)C2)n1 ZINC000091420400 535169305 /nfs/dbraw/zinc/16/93/05/535169305.db2.gz WKWABTKQMZOJBB-CYBMUJFWSA-N 0 3 292.427 2.226 10 0 CEAEHN COc1ccc(Br)c(N2CCN[C@@H](C)C2)c1 ZINC000083869881 536630413 /nfs/dbraw/zinc/63/04/13/536630413.db2.gz UWHXEFBDGUADDM-VIFPVBQESA-N 0 3 285.185 2.256 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1sccc1Cl ZINC000309781300 538741992 /nfs/dbraw/zinc/74/19/92/538741992.db2.gz MYVQPZZHMFEAJX-APPZFPTMSA-N 0 3 258.774 2.158 10 0 CEAEHN CC(C)(C)OC(=O)N(CCF)c1ccc(CN)nc1 ZINC000757135990 574510150 /nfs/dbraw/zinc/51/01/50/574510150.db2.gz XMLIQRNLNAZCOV-UHFFFAOYSA-N 0 3 269.320 2.251 10 0 CEAEHN CCOCCN(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757134181 622817657 /nfs/dbraw/zinc/81/76/57/622817657.db2.gz LAVVATDKQKRBPT-UHFFFAOYSA-N 0 3 295.383 2.318 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@@H](C)C(=O)OC(C)(C)C ZINC000090814931 623640008 /nfs/dbraw/zinc/64/00/08/623640008.db2.gz VXYGLJDYXUNVNT-QWHCGFSZSA-N 0 3 272.433 2.283 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cnc(Cl)cc1C ZINC000236902419 625264766 /nfs/dbraw/zinc/26/47/66/625264766.db2.gz IOMQHSXPEQVYOY-WRWORJQWSA-N 0 3 255.749 2.355 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 ZINC000178139456 625948599 /nfs/dbraw/zinc/94/85/99/625948599.db2.gz PSZXEUMMEIAFCD-NSHDSACASA-N 0 3 284.743 2.193 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1F ZINC000261892676 629304777 /nfs/dbraw/zinc/30/47/77/629304777.db2.gz VSBAYANUZUKYQH-NHYWBVRUSA-N 0 3 294.370 2.065 10 0 CEAEHN C[C@H](NCC[S@](C)=O)c1ccc(Cl)s1 ZINC000133794140 652720148 /nfs/dbraw/zinc/72/01/48/652720148.db2.gz JYCVRWFDGZAVMN-JKYUHCHBSA-N 0 3 251.804 2.431 10 0 CEAEHN CCOC(=O)CSc1cccc(Cl)c1CN ZINC000082619251 178127264 /nfs/dbraw/zinc/12/72/64/178127264.db2.gz HCGRWLNZDHSMPB-UHFFFAOYSA-N 0 3 259.758 2.454 10 0 CEAEHN NC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000127705298 187327225 /nfs/dbraw/zinc/32/72/25/187327225.db2.gz YFALDIFQRWSDSH-UHFFFAOYSA-N 0 3 289.162 2.440 10 0 CEAEHN COCCCSCc1nc(NN)ccc1Cl ZINC000082630264 178141081 /nfs/dbraw/zinc/14/10/81/178141081.db2.gz PNRWZHVXEPLTDP-UHFFFAOYSA-N 0 3 261.778 2.290 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@H]1CC[C@H](SCC)C1 ZINC000121591696 365590655 /nfs/dbraw/zinc/59/06/55/365590655.db2.gz LLKGZIUXUYOULV-SRVKXCTJSA-N 0 3 258.431 2.246 10 0 CEAEHN Cc1nc2cc(Br)ccn2c1[C@H](C)N ZINC000082694919 178190637 /nfs/dbraw/zinc/19/06/37/178190637.db2.gz XRAJDPQXRPVONF-LURJTMIESA-N 0 3 254.131 2.425 10 0 CEAEHN COC(=O)C[C@H](N)c1cncc(-c2ccccc2)c1 ZINC000034436459 361790676 /nfs/dbraw/zinc/79/06/76/361790676.db2.gz YAHJZQDXUPXJRA-AWEZNQCLSA-N 0 3 256.305 2.312 10 0 CEAEHN CN[C@H](c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000082998673 178333332 /nfs/dbraw/zinc/33/33/32/178333332.db2.gz HAYAOPNIWFZNSN-XCBNKYQSSA-N 0 3 279.814 2.097 10 0 CEAEHN COc1ccc(C(=O)[C@H]2CCCN2)c(Br)c1 ZINC000082954610 178330118 /nfs/dbraw/zinc/33/01/18/178330118.db2.gz HBTRXEDRORIIDK-LLVKDONJSA-N 0 3 284.153 2.392 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000125692773 365682592 /nfs/dbraw/zinc/68/25/92/365682592.db2.gz NOUYUICWSDCZJY-CHWSQXEVSA-N 0 3 255.406 2.205 10 0 CEAEHN Nc1cccc(OCCCN2CCSCC2)c1 ZINC000036671477 361850433 /nfs/dbraw/zinc/85/04/33/361850433.db2.gz XOJHLYJSTNJOII-UHFFFAOYSA-N 0 3 252.383 2.087 10 0 CEAEHN NCc1cccc(NC(=O)NCc2ccccc2)c1 ZINC000037010083 361881379 /nfs/dbraw/zinc/88/13/79/361881379.db2.gz CEVLPHJYVAIEHX-UHFFFAOYSA-N 0 3 255.321 2.467 10 0 CEAEHN C[C@H](NC(=O)CNC1CC1)c1ccccc1Cl ZINC000040415373 361992067 /nfs/dbraw/zinc/99/20/67/361992067.db2.gz LGNRFTVTMVBQLJ-VIFPVBQESA-N 0 3 252.745 2.269 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCOCC1)c1cccc(Cl)c1 ZINC000127836995 187336068 /nfs/dbraw/zinc/33/60/68/187336068.db2.gz ZMQSQHAWMNJJDZ-JTQLQIEISA-N 0 3 282.771 2.025 10 0 CEAEHN Cc1c(CNC[C@H]2OCCc3ccccc32)cnn1C ZINC000229810545 539178848 /nfs/dbraw/zinc/17/88/48/539178848.db2.gz VLVWHDRMUWXNCI-MRXNPFEDSA-N 0 3 271.364 2.132 10 0 CEAEHN CCCn1cc(CN2CCC[C@H]2Cn2ccnc2)cn1 ZINC000188401332 539178855 /nfs/dbraw/zinc/17/88/55/539178855.db2.gz MOYLQLKHMMJTCS-HNNXBMFYSA-N 0 3 273.384 2.154 10 0 CEAEHN C[C@@H]1CNCCN1c1cc(N)ccc1C(F)(F)F ZINC000725263655 539212198 /nfs/dbraw/zinc/21/21/98/539212198.db2.gz YVLXSEYMXHNRET-MRVPVSSYSA-N 0 3 259.275 2.086 10 0 CEAEHN C[C@H](c1cnn(CC2CCC2)c1)N1CCC(CO)CC1 ZINC000725264526 539213137 /nfs/dbraw/zinc/21/31/37/539213137.db2.gz TZFMXTWTAAWNRN-CYBMUJFWSA-N 0 3 277.412 2.449 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CC[C@@H]1CCOC1 ZINC000220398417 539256592 /nfs/dbraw/zinc/25/65/92/539256592.db2.gz JIIULZUPHIFAPE-BZUAXINKSA-N 0 3 266.429 2.362 10 0 CEAEHN N[C@H]1CCC[S@@](=O)c2c(Br)cccc21 ZINC000040977259 362010184 /nfs/dbraw/zinc/01/01/84/362010184.db2.gz FCWPIJRWQWVDCS-XPTSAGLGSA-N 0 3 274.183 2.350 10 0 CEAEHN N[C@@H]1CCC[S@](=O)c2c(Br)cccc21 ZINC000040977260 362011217 /nfs/dbraw/zinc/01/12/17/362011217.db2.gz FCWPIJRWQWVDCS-YMTOWFKASA-N 0 3 274.183 2.350 10 0 CEAEHN CCC[C@H](N)C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000037801404 343430806 /nfs/dbraw/zinc/43/08/06/343430806.db2.gz XLABUUIRCXJGGJ-OCCSQVGLSA-N 0 3 296.436 2.383 10 0 CEAEHN FC(F)(F)COc1ccccc1N1CCNCC1 ZINC000038955352 343434895 /nfs/dbraw/zinc/43/48/95/343434895.db2.gz STALANBIHAODET-UHFFFAOYSA-N 0 3 260.259 2.037 10 0 CEAEHN O=C(NCCNC[C@H](O)c1ccccc1)Nc1ccccc1 ZINC000040640918 343437719 /nfs/dbraw/zinc/43/77/19/343437719.db2.gz NDOIJOBFLZAZEY-INIZCTEOSA-N 0 3 299.374 2.131 10 0 CEAEHN COCCC1(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCC1 ZINC000127369250 365743081 /nfs/dbraw/zinc/74/30/81/365743081.db2.gz PZPKJZNESUJLSW-KGLIPLIRSA-N 0 3 282.428 2.038 10 0 CEAEHN COc1ccc(CN[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000228597690 539349620 /nfs/dbraw/zinc/34/96/20/539349620.db2.gz UEMUNKULFVTLEM-UONOGXRCSA-N 0 3 253.317 2.227 10 0 CEAEHN CN(Cc1ccccc1)C[C@H](O)CN(CC(F)F)C1CC1 ZINC000106936276 344259851 /nfs/dbraw/zinc/25/98/51/344259851.db2.gz RRKCRIVJMOFNRX-HNNXBMFYSA-N 0 3 298.377 2.209 10 0 CEAEHN NCc1ncc(Br)cc1Br ZINC000129815509 344346775 /nfs/dbraw/zinc/34/67/75/344346775.db2.gz LPWOKAPMJQZVMF-UHFFFAOYSA-N 0 3 265.936 2.065 10 0 CEAEHN CSCC[C@@H](N)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000130852921 344355233 /nfs/dbraw/zinc/35/52/33/344355233.db2.gz OSBBTSOVHDAHGB-PRHODGIISA-N 0 3 288.363 2.222 10 0 CEAEHN OCCN[C@H]1CCCc2sc(Br)cc21 ZINC000132258641 344362590 /nfs/dbraw/zinc/36/25/90/344362590.db2.gz POAXXVGBSVOZTG-QMMMGPOBSA-N 0 3 276.199 2.470 10 0 CEAEHN O[C@@]1(c2ccc(Br)cc2)CN2CCC1CC2 ZINC000140214391 344397189 /nfs/dbraw/zinc/39/71/89/344397189.db2.gz RMLARMRXQRUGCT-CYBMUJFWSA-N 0 3 282.181 2.362 10 0 CEAEHN c1ccc(-c2nnc(N3CCN4CCC[C@H]4C3)s2)cc1 ZINC000148269887 344413576 /nfs/dbraw/zinc/41/35/76/344413576.db2.gz NTNHXLQPFBPZBN-ZDUSSCGKSA-N 0 3 286.404 2.490 10 0 CEAEHN C[C@@H]1CN[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)S1 ZINC000159137585 344453792 /nfs/dbraw/zinc/45/37/92/344453792.db2.gz MTOSODIIGDSUHS-MFKMUULPSA-N 0 3 272.414 2.439 10 0 CEAEHN C[C@@H]1CS[C@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000159143712 344453868 /nfs/dbraw/zinc/45/38/68/344453868.db2.gz XIQIMXQZEIXMSI-MFKMUULPSA-N 0 3 272.414 2.439 10 0 CEAEHN CCC1CCC(NC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000170832304 344491115 /nfs/dbraw/zinc/49/11/15/344491115.db2.gz LWVOCSHCUGHPLW-RUXDESIVSA-N 0 3 267.417 2.301 10 0 CEAEHN CCCCS[C@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170864618 344492060 /nfs/dbraw/zinc/49/20/60/344492060.db2.gz FLIKDMSABDSWOU-VXGBXAGGSA-N 0 3 258.431 2.071 10 0 CEAEHN CC(C)(C)OC(=O)NCCNCc1ccc(Cl)nc1 ZINC000236787801 344597541 /nfs/dbraw/zinc/59/75/41/344597541.db2.gz YXEQMWKSGNVEIU-UHFFFAOYSA-N 0 3 285.775 2.349 10 0 CEAEHN CC1CCC(N(C)C(=O)CN2CCC[C@H]2CCCO)CC1 ZINC000052762048 362474171 /nfs/dbraw/zinc/47/41/71/362474171.db2.gz ROGLALSDNJRMEO-GPANFISMSA-N 0 3 296.455 2.260 10 0 CEAEHN O=C(CN1CCC[C@H]1CCCO)NCCC1=CCCCC1 ZINC000052762852 362474316 /nfs/dbraw/zinc/47/43/16/362474316.db2.gz WBYQTKOQUWZRSM-INIZCTEOSA-N 0 3 294.439 2.230 10 0 CEAEHN CCN1CCO[C@@H](CNC/C=C\c2ccccc2)C1 ZINC000381567207 344824838 /nfs/dbraw/zinc/82/48/38/344824838.db2.gz MEQORXWGYGFKKN-HWYHOQROSA-N 0 3 260.381 2.010 10 0 CEAEHN CN(C)CC[C@@]1(O)c2ccccc2Oc2cccnc21 ZINC000584615754 344965908 /nfs/dbraw/zinc/96/59/08/344965908.db2.gz RBTZHSVPFKABPO-MRXNPFEDSA-N 0 3 270.332 2.375 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1 ZINC000116928810 232201174 /nfs/dbraw/zinc/20/11/74/232201174.db2.gz BJFBWCJJELBSEA-ZDUSSCGKSA-N 0 3 297.786 2.134 10 0 CEAEHN CCn1nc(C)cc1[C@@H](Cc1c(Cl)c(C)nn1C)NC ZINC000097273934 185575530 /nfs/dbraw/zinc/57/55/30/185575530.db2.gz UJLZZOKITMONDE-LLVKDONJSA-N 0 3 295.818 2.410 10 0 CEAEHN COc1cccc([C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1 ZINC000175645866 232315705 /nfs/dbraw/zinc/31/57/05/232315705.db2.gz IWZWRPRCVFVAOB-KFWWJZLASA-N 0 3 292.423 2.143 10 0 CEAEHN CCN[C@@](CO)(CO[C@H](C)CC)c1ccccc1 ZINC000085286977 179004858 /nfs/dbraw/zinc/00/48/58/179004858.db2.gz CZVXMMQZPREVIB-HIFRSBDPSA-N 0 3 251.370 2.299 10 0 CEAEHN CCc1ccc([C@H](C)NCC(=O)NC2CCOCC2)cc1 ZINC000062768601 362722950 /nfs/dbraw/zinc/72/29/50/362722950.db2.gz KZFYICIQCDDQJP-ZDUSSCGKSA-N 0 3 290.407 2.195 10 0 CEAEHN CC(=O)c1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000062984089 362737961 /nfs/dbraw/zinc/73/79/61/362737961.db2.gz YMYKFQHJSRYKID-AWEZNQCLSA-N 0 3 275.352 2.057 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1cc(C)ccc1F)C(N)=O ZINC000085560542 179094300 /nfs/dbraw/zinc/09/43/00/179094300.db2.gz PVULUMOJMYFWJD-IAQYHMDHSA-N 0 3 282.359 2.145 10 0 CEAEHN CN1CC[C@@H](n2c3c(nc2C2CCCCC2)CNCC3)C1 ZINC000085607105 179100835 /nfs/dbraw/zinc/10/08/35/179100835.db2.gz HSCFADMQSGZVDA-CQSZACIVSA-N 0 3 288.439 2.453 10 0 CEAEHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000063171227 362754487 /nfs/dbraw/zinc/75/44/87/362754487.db2.gz LWIWRKMNAMNRAQ-SSDOTTSWSA-N 0 3 297.207 2.009 10 0 CEAEHN Cc1cc(CN[C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000085675878 179112710 /nfs/dbraw/zinc/11/27/10/179112710.db2.gz XGQBBUNTDLPQQU-AVGNSLFASA-N 0 3 250.342 2.276 10 0 CEAEHN COC(=O)CCNCc1ccc(Br)c(C)c1 ZINC000085706700 179121585 /nfs/dbraw/zinc/12/15/85/179121585.db2.gz UNAVPJPXHIIUCC-UHFFFAOYSA-N 0 3 286.169 2.410 10 0 CEAEHN CCCn1cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000129357564 365851158 /nfs/dbraw/zinc/85/11/58/365851158.db2.gz ZXWAHYKKLNFTMY-CVEARBPZSA-N 0 3 277.412 2.420 10 0 CEAEHN NCc1ccccc1NC(=O)[C@H]1OCCc2ccccc21 ZINC000085810127 179177660 /nfs/dbraw/zinc/17/76/60/179177660.db2.gz JUOOAIKJYMSLPF-INIZCTEOSA-N 0 3 282.343 2.398 10 0 CEAEHN COC[C@H](C)N(C)Cc1ccc(CNCC(C)C)o1 ZINC000052511519 522595601 /nfs/dbraw/zinc/59/56/01/522595601.db2.gz IYXJILUWEAQOHV-ZDUSSCGKSA-N 0 3 268.401 2.492 10 0 CEAEHN CC[C@@H]1CC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)[C@@H]1C ZINC000086094022 179228895 /nfs/dbraw/zinc/22/88/95/179228895.db2.gz OCXSQSGHZWJVAH-DTZQCDIJSA-N 0 3 274.408 2.497 10 0 CEAEHN Clc1ccc2snc(N3CCNCC3)c2c1 ZINC000065739371 362845383 /nfs/dbraw/zinc/84/53/83/362845383.db2.gz JKDFFXCLXIRDAK-UHFFFAOYSA-N 0 3 253.758 2.359 10 0 in-vitro CEAEHN Cc1noc(CN2C[C@](C)(c3ccccc3)NC[C@@H]2C)n1 ZINC000086260320 179259048 /nfs/dbraw/zinc/25/90/48/179259048.db2.gz NPLOIKPNNZHWLP-BLLLJJGKSA-N 0 3 286.379 2.087 10 0 CEAEHN C[C@@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265141 179261283 /nfs/dbraw/zinc/26/12/83/179261283.db2.gz JHLLOCYGLFVGCH-BMFZPTHFSA-N 0 3 260.381 2.200 10 0 CEAEHN Brc1csc(NCCN2CCCC2)n1 ZINC000086279803 179263555 /nfs/dbraw/zinc/26/35/55/179263555.db2.gz SZJOEEDDVBWKPU-UHFFFAOYSA-N 0 3 276.203 2.413 10 0 CEAEHN COc1ccc(CN[C@@H]2CCCC[C@H]2CO)c(F)c1 ZINC000231311351 539567135 /nfs/dbraw/zinc/56/71/35/539567135.db2.gz PXROSVRJQSJLIV-SWLSCSKDSA-N 0 3 267.344 2.475 10 0 CEAEHN NC[C@@H](NC[C@@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333401 179273713 /nfs/dbraw/zinc/27/37/13/179273713.db2.gz UZFXKVKLAPBXAK-VHSXEESVSA-N 0 3 260.790 2.170 10 0 CEAEHN CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3N)CCN1C ZINC000086444159 179293998 /nfs/dbraw/zinc/29/39/98/179293998.db2.gz DPGHZHBLIQCFEA-QWRGUYRKSA-N 0 3 280.441 2.010 10 0 CEAEHN CCCN1CCN(c2nc3c(s2)CCC[C@@H]3NC)CC1 ZINC000086441972 179294043 /nfs/dbraw/zinc/29/40/43/179294043.db2.gz AJMPJEIQNRSSBE-LBPRGKRZSA-N 0 3 294.468 2.272 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)[C@@H](CC)CN1 ZINC000086446365 179294881 /nfs/dbraw/zinc/29/48/81/179294881.db2.gz LQQAAHDXYRUFBR-CABCVRRESA-N 0 3 289.423 2.355 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)[C@@H](CC)CN1 ZINC000086447170 179296049 /nfs/dbraw/zinc/29/60/49/179296049.db2.gz FDHLFTSWXMNNKQ-MNOVXSKESA-N 0 3 269.776 2.271 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)CCc1ccco1 ZINC000086447329 179295484 /nfs/dbraw/zinc/29/54/84/179295484.db2.gz HVLLWMJFWPWADI-QWHCGFSZSA-N 0 3 264.369 2.201 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccs1 ZINC000086447948 179295797 /nfs/dbraw/zinc/29/57/97/179295797.db2.gz APLVDYDQISEKAS-WDEREUQCSA-N 0 3 252.383 2.351 10 0 CEAEHN CN[C@H]1CCCc2sc(C[C@@H]3CCCO3)nc21 ZINC000086439076 179292583 /nfs/dbraw/zinc/29/25/83/179292583.db2.gz RJTUFSSWSQBNRF-UWVGGRQHSA-N 0 3 252.383 2.461 10 0 CEAEHN CC[C@@H](CC[NH3+])CCC(=O)[N-]OCc1ccccc1 ZINC000086437201 179292587 /nfs/dbraw/zinc/29/25/87/179292587.db2.gz FKYMJUXUXNBTAF-CYBMUJFWSA-N 0 3 264.369 2.390 10 0 CEAEHN [NH3+]C1(CC(=O)[N-]OCc2ccccc2)CCCCC1 ZINC000086436926 179292721 /nfs/dbraw/zinc/29/27/21/179292721.db2.gz RTICRRSPMMERNA-UHFFFAOYSA-N 0 3 262.353 2.286 10 0 CEAEHN COc1ccc([C@@H](NC2CCCC2)C(N)=O)cc1Cl ZINC000086595420 179310825 /nfs/dbraw/zinc/31/08/25/179310825.db2.gz SYQYQDDAOHHFLQ-CYBMUJFWSA-N 0 3 282.771 2.407 10 0 CEAEHN C[C@@H]1CN=C(NC[C@H]2Cc3ccccc3O2)SC1 ZINC000086633269 179314770 /nfs/dbraw/zinc/31/47/70/179314770.db2.gz SWGRLZVZUDDNCO-ZYHUDNBSSA-N 0 3 262.378 2.319 10 0 CEAEHN C[C@H]1CN=C(NC[C@H]2Cc3ccccc3O2)SC1 ZINC000086633272 179314805 /nfs/dbraw/zinc/31/48/05/179314805.db2.gz SWGRLZVZUDDNCO-CMPLNLGQSA-N 0 3 262.378 2.319 10 0 CEAEHN Cc1cccc(CN[C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086671434 179317532 /nfs/dbraw/zinc/31/75/32/179317532.db2.gz PKXRWIUHNMDKDT-KBPBESRZSA-N 0 3 267.394 2.050 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@H]1NCCSc1ccccc1 ZINC000086675298 179318517 /nfs/dbraw/zinc/31/85/17/179318517.db2.gz GNJYLXZTNVAQLM-KGLIPLIRSA-N 0 3 299.461 2.334 10 0 CEAEHN C[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676013 179319307 /nfs/dbraw/zinc/31/93/07/179319307.db2.gz QIOWMJKKJHOIJG-SNPRPXQTSA-N 0 3 281.421 2.173 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(CC)CC)CCC[C@H]1C ZINC000086678045 179319446 /nfs/dbraw/zinc/31/94/46/179319446.db2.gz DGJQSCGMKCCJCR-HIFRSBDPSA-N 0 3 270.417 2.040 10 0 CEAEHN CC[C@@H](C(C)C)N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776221 179327902 /nfs/dbraw/zinc/32/79/02/179327902.db2.gz SCLAYHPOSSLPAB-LSDHHAIUSA-N 0 3 282.428 2.434 10 0 CEAEHN CC[C@@H](C(C)C)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776221 179327904 /nfs/dbraw/zinc/32/79/04/179327904.db2.gz SCLAYHPOSSLPAB-LSDHHAIUSA-N 0 3 282.428 2.434 10 0 CEAEHN CC[C@@](C)(N)C(=O)N(C)Cc1ccc(Br)o1 ZINC000086803723 179336856 /nfs/dbraw/zinc/33/68/56/179336856.db2.gz ORKWBGGILPHLMV-LLVKDONJSA-N 0 3 289.173 2.128 10 0 CEAEHN C[C@@H]([NH3+])c1nnc(-c2ncc(Cl)cc2Cl)[n-]1 ZINC000086784424 179332469 /nfs/dbraw/zinc/33/24/69/179332469.db2.gz BPZXXMWPDURRCH-SCSAIBSYSA-N 0 3 258.112 2.193 10 0 CEAEHN C[C@@H](N)c1nc(-c2ncc(Cl)cc2Cl)n[nH]1 ZINC000086784424 179332470 /nfs/dbraw/zinc/33/24/70/179332470.db2.gz BPZXXMWPDURRCH-SCSAIBSYSA-N 0 3 258.112 2.193 10 0 CEAEHN COC(=O)[C@@]1(Nc2cccc(F)c2)CCCN(C)CC1 ZINC000086833312 179349199 /nfs/dbraw/zinc/34/91/99/179349199.db2.gz WNNRXJKKKKXJPN-OAHLLOKOSA-N 0 3 280.343 2.265 10 0 CEAEHN COC(=O)[C@]1(Nc2cccc(OC)c2)CCCN(C)CC1 ZINC000086833301 179349409 /nfs/dbraw/zinc/34/94/09/179349409.db2.gz UXDPDIYNTZJBOK-INIZCTEOSA-N 0 3 292.379 2.135 10 0 CEAEHN CC1(C)CC[C@@H](S(=O)(=O)c2cccs2)[C@@H]1N ZINC000086866844 179360400 /nfs/dbraw/zinc/36/04/00/179360400.db2.gz FEORCXQPLNJTQF-SCZZXKLOSA-N 0 3 259.396 2.038 10 0 CEAEHN CCCN1CCC[C@](C(=O)[O-])([NH+](CC)CC)CC1 ZINC000086867809 179360879 /nfs/dbraw/zinc/36/08/79/179360879.db2.gz UOWDULIOZPBLNZ-AWEZNQCLSA-N 0 3 256.390 2.048 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869101 179362067 /nfs/dbraw/zinc/36/20/67/179362067.db2.gz LSMPNFOOGBGZQN-UKRRQHHQSA-N 0 3 268.401 2.048 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869101 179362069 /nfs/dbraw/zinc/36/20/69/179362069.db2.gz LSMPNFOOGBGZQN-UKRRQHHQSA-N 0 3 268.401 2.048 10 0 CEAEHN CCN1CCC[C@@](NCCOC)(c2nc(C)cs2)CC1 ZINC000086851695 179359255 /nfs/dbraw/zinc/35/92/55/179359255.db2.gz XJMFBRWJZXMYGF-HNNXBMFYSA-N 0 3 297.468 2.389 10 0 CEAEHN C1Cc2nc([C@@H]3CSCCS3)sc2CN1 ZINC000086985335 179373793 /nfs/dbraw/zinc/37/37/93/179373793.db2.gz BHJCIJYXFPXBEU-VIFPVBQESA-N 0 3 258.437 2.310 10 0 CEAEHN Cc1nc([C@@H]2CSCCS2)ncc1[C@@H](C)N ZINC000086985381 179373608 /nfs/dbraw/zinc/37/36/08/179373608.db2.gz DMKRGEOXHNWWIM-XCBNKYQSSA-N 0 3 255.412 2.326 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC2(O)CCCC2)c1C ZINC000087016916 179380630 /nfs/dbraw/zinc/38/06/30/179380630.db2.gz GGHYLXCINRQSHK-NSHDSACASA-N 0 3 265.401 2.476 10 0 CEAEHN CC(C)NCc1cnc([C@@H]2CSCCO2)s1 ZINC000086989823 179374712 /nfs/dbraw/zinc/37/47/12/179374712.db2.gz UCILYFMNRDHWOQ-JTQLQIEISA-N 0 3 258.412 2.446 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1ccc(OC)c(F)c1 ZINC000086992286 179375253 /nfs/dbraw/zinc/37/52/53/179375253.db2.gz YVYYDLQUCLHPKD-AWEZNQCLSA-N 0 3 284.375 2.193 10 0 CEAEHN c1cc2c(cc1[C@H]1CNCC3(CCCC3)O1)OCCO2 ZINC000087007869 179378287 /nfs/dbraw/zinc/37/82/87/179378287.db2.gz BWUYKSSMAZJVSJ-OAHLLOKOSA-N 0 3 275.348 2.432 10 0 CEAEHN C[C@H](NC[C@@]1(O)CCC[C@@H](C)C1)c1nccn1C ZINC000087049995 179388935 /nfs/dbraw/zinc/38/89/35/179388935.db2.gz SBDBUUKEELMSRE-MBNYWOFBSA-N 0 3 251.374 2.012 10 0 CEAEHN C[C@H]1CCC[C@](O)(CNCC(=O)Nc2ccccc2F)C1 ZINC000087064776 179389880 /nfs/dbraw/zinc/38/98/80/179389880.db2.gz QOOSHCNMEWLPGD-BLLLJJGKSA-N 0 3 294.370 2.295 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@H](C)NCC1(O)CCC(C)(C)CC1 ZINC000087063962 179390377 /nfs/dbraw/zinc/39/03/77/179390377.db2.gz NITGJNQISMGYCH-OLZOCXBDSA-N 0 3 284.444 2.211 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@H](C)c2c[nH]nc2C)C12CCOCC2 ZINC000248633325 539638489 /nfs/dbraw/zinc/63/84/89/539638489.db2.gz IXOWLVRIFRPZKS-BYCMXARLSA-N 0 3 293.411 2.343 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)[C@@H]1CCCO1 ZINC000248632879 539638570 /nfs/dbraw/zinc/63/85/70/539638570.db2.gz WXXDMGAQJIQCAE-RMEBNNNOSA-N 0 3 282.428 2.322 10 0 CEAEHN CCN1CCCO[C@@H](c2cnnc3ccccc32)C1 ZINC000616653301 348549209 /nfs/dbraw/zinc/54/92/09/348549209.db2.gz LLNZLKVFQOOYHJ-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1coc(C2CCC2)n1 ZINC000248751786 539647477 /nfs/dbraw/zinc/64/74/77/539647477.db2.gz HASSGJFRORHGTE-YPMHNXCESA-N 0 3 289.379 2.251 10 0 CEAEHN CC(C)N1CCOC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616596847 348529125 /nfs/dbraw/zinc/52/91/25/348529125.db2.gz CTFIDUFJAZWYMS-AWEZNQCLSA-N 0 3 271.364 2.454 10 0 CEAEHN Cc1cnc(NN)nc1Oc1ccc(F)cc1F ZINC000087881091 179509406 /nfs/dbraw/zinc/50/94/06/179509406.db2.gz JJNZDJTXRSAGTL-UHFFFAOYSA-N 0 3 252.224 2.141 10 0 CEAEHN CC(=O)Nc1ccccc1[C@@H]1CN(C(C)(C)C)CCN1 ZINC000616600823 348531119 /nfs/dbraw/zinc/53/11/19/348531119.db2.gz BXONTSHUKVTQQW-HNNXBMFYSA-N 0 3 275.396 2.390 10 0 CEAEHN Cc1cnc(NN)nc1OC1C[C@H](C)C[C@@H](C)C1 ZINC000087890870 179514332 /nfs/dbraw/zinc/51/43/32/179514332.db2.gz ACITZAIOLVOWJN-RKDXNWHRSA-N 0 3 250.346 2.274 10 0 CEAEHN CCN1CCOC[C@@H](c2cccc3ccnnc32)C1 ZINC000616661962 348552906 /nfs/dbraw/zinc/55/29/06/348552906.db2.gz WVHJKKTWMXGUTP-ZDUSSCGKSA-N 0 3 257.337 2.066 10 0 CEAEHN c1nc([C@@H]2CCN(Cc3ccccc3)CCO2)c[nH]1 ZINC000616662895 348553913 /nfs/dbraw/zinc/55/39/13/348553913.db2.gz DKAUNPOSKHXOSG-HNNXBMFYSA-N 0 3 257.337 2.373 10 0 CEAEHN COCc1ccc([C@@H](CN)N(C)Cc2cccnc2)cc1 ZINC000088568742 179626831 /nfs/dbraw/zinc/62/68/31/179626831.db2.gz RFLRTFVCRPGCGS-QGZVFWFLSA-N 0 3 285.391 2.360 10 0 CEAEHN CC(C)CN(C1CC1)S(=O)(=O)c1cc(CN)cs1 ZINC000089004358 179691026 /nfs/dbraw/zinc/69/10/26/179691026.db2.gz IQTKDIYBNSPYFM-UHFFFAOYSA-N 0 3 288.438 2.016 10 0 CEAEHN CN1CCO[C@H](CNCc2csc(C(F)(F)F)c2)C1 ZINC000623404974 350010723 /nfs/dbraw/zinc/01/07/23/350010723.db2.gz SHCQVUSOQXKRRI-SNVBAGLBSA-N 0 3 294.342 2.187 10 0 CEAEHN CCCn1c2ccc(F)cc2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571721 180007879 /nfs/dbraw/zinc/00/78/79/180007879.db2.gz WBAJJIFLDQECMO-ZFWWWQNUSA-N 0 3 277.343 2.201 10 0 CEAEHN CC(C)c1ccccc1NC(=O)[C@]1(C)COC[C@H]1N ZINC000090580477 180008429 /nfs/dbraw/zinc/00/84/29/180008429.db2.gz DFMNRKDJTAAQSI-UKRRQHHQSA-N 0 3 262.353 2.112 10 0 CEAEHN CC(C)CCN(CCC(C)C)C(=O)[C@]1(C)COC[C@@H]1N ZINC000090591425 180010133 /nfs/dbraw/zinc/01/01/33/180010133.db2.gz AJTAXNBCDGIFKK-GOEBONIOSA-N 0 3 284.444 2.271 10 0 CEAEHN CCCCN(C(=O)[C@]1(C)COC[C@@H]1N)c1ccccc1 ZINC000090605517 180011302 /nfs/dbraw/zinc/01/13/02/180011302.db2.gz FOONSCUUOZIMJH-GOEBONIOSA-N 0 3 276.380 2.184 10 0 CEAEHN C[C@@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1cccc(CN)c1 ZINC000090671957 180021012 /nfs/dbraw/zinc/02/10/12/180021012.db2.gz CNNUYODNEGPQOK-BDAKNGLRSA-N 0 3 290.285 2.440 10 0 CEAEHN CC(C)NCc1ccc(O[C@@H](C)C(F)(F)F)nn1 ZINC000090675364 180022368 /nfs/dbraw/zinc/02/23/68/180022368.db2.gz PSYPZEQQMUJVAZ-QMMMGPOBSA-N 0 3 263.263 2.304 10 0 CEAEHN OCCN(Cc1ccccc1)C[C@H]1Cc2ccccc2O1 ZINC000090876827 180051849 /nfs/dbraw/zinc/05/18/49/180051849.db2.gz YEGSUEUJYDDBHW-QGZVFWFLSA-N 0 3 283.371 2.485 10 0 CEAEHN CCNCc1cnn(C[C@H]2Cc3cc(C)ccc3O2)c1 ZINC000090901924 180060068 /nfs/dbraw/zinc/06/00/68/180060068.db2.gz MECXUBLOFYWWJL-OAHLLOKOSA-N 0 3 271.364 2.305 10 0 CEAEHN CC(C)(C)c1nc(N2C[C@H]3CC[C@@H](C2)O3)sc1CN ZINC000090908184 180061640 /nfs/dbraw/zinc/06/16/40/180061640.db2.gz QJXIMIJBGKFHPB-AOOOYVTPSA-N 0 3 281.425 2.267 10 0 CEAEHN CC(C)(C)NCc1nc(CN2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000090907968 180061730 /nfs/dbraw/zinc/06/17/30/180061730.db2.gz FEBBZCMALFRTBI-BETUJISGSA-N 0 3 295.452 2.394 10 0 CEAEHN CC(=O)Nc1ccsc1CNCCc1nccs1 ZINC000090960689 180075964 /nfs/dbraw/zinc/07/59/64/180075964.db2.gz FNHNLVZUBYUHHI-UHFFFAOYSA-N 0 3 281.406 2.495 10 0 CEAEHN CNCc1cccn1CC(=O)Nc1ccccc1C ZINC000090995781 180083012 /nfs/dbraw/zinc/08/30/12/180083012.db2.gz YWWJBXRJDIVHQS-UHFFFAOYSA-N 0 3 257.337 2.155 10 0 CEAEHN COCCNCc1cccn1CCC(F)(F)F ZINC000091002007 180084071 /nfs/dbraw/zinc/08/40/71/180084071.db2.gz YYVJXYJZLSRXHW-UHFFFAOYSA-N 0 3 250.264 2.177 10 0 CEAEHN c1cnc2c(c1)nc(C[C@H]1CSCCN1)n2C1CC1 ZINC000091128715 180100519 /nfs/dbraw/zinc/10/05/19/180100519.db2.gz GWHRSABCVPBNNW-JTQLQIEISA-N 0 3 274.393 2.014 10 0 CEAEHN Fc1ccc2oc(C[C@@H]3CSCCN3)nc2c1 ZINC000091129353 180101095 /nfs/dbraw/zinc/10/10/95/180101095.db2.gz MRRZNTQACDEIPP-SECBINFHSA-N 0 3 252.314 2.214 10 0 CEAEHN CC(C)n1cncc1[C@H](O)[C@H]1NCCc2ccccc21 ZINC000091273571 180117784 /nfs/dbraw/zinc/11/77/84/180117784.db2.gz XLGPPWHVCDGASN-HOTGVXAUSA-N 0 3 271.364 2.384 10 0 CEAEHN CCCN(CCC)[C@H](CN)c1cncn1C1CC1 ZINC000091276189 180118811 /nfs/dbraw/zinc/11/88/11/180118811.db2.gz UVEBAUNTBZMDAL-CYBMUJFWSA-N 0 3 250.390 2.340 10 0 CEAEHN CCCCN(CC)[C@H](CN)c1cncn1C1CC1 ZINC000091276199 180120378 /nfs/dbraw/zinc/12/03/78/180120378.db2.gz JJNIFHXJPXIUAL-CYBMUJFWSA-N 0 3 250.390 2.340 10 0 CEAEHN C[C@H](NC(=O)C[C@H]1CSCCN1)c1ccsc1 ZINC000091291156 180122713 /nfs/dbraw/zinc/12/27/13/180122713.db2.gz RPWCYJIXAKRKAF-ONGXEEELSA-N 0 3 270.423 2.020 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)Nc1c(F)cc(F)cc1F ZINC000091291825 180122767 /nfs/dbraw/zinc/12/27/67/180122767.db2.gz GZMXUNHGMAOYQK-MRVPVSSYSA-N 0 3 290.310 2.138 10 0 CEAEHN CC(C)n1c(C[C@H]2CNCCO2)nc2c1cccc2F ZINC000091293290 180124303 /nfs/dbraw/zinc/12/43/03/180124303.db2.gz KMKCCBQNSQJMMH-NSHDSACASA-N 0 3 277.343 2.287 10 0 CEAEHN COc1ccc2ccccc2c1CNC1CC(O)C1 ZINC000091432232 180153682 /nfs/dbraw/zinc/15/36/82/180153682.db2.gz SYSIKJPOAXQQFR-UHFFFAOYSA-N 0 3 257.333 2.461 10 0 CEAEHN CCCOCCOc1cncc(CNCC(C)C)n1 ZINC000091435336 180154135 /nfs/dbraw/zinc/15/41/35/180154135.db2.gz HVRVRBULCXVCDS-UHFFFAOYSA-N 0 3 267.373 2.028 10 0 CEAEHN C[C@@H](O)c1ccc(NC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000091433274 180154429 /nfs/dbraw/zinc/15/44/29/180154429.db2.gz CGOFOXOWLFRYIZ-DOMZBBRYSA-N 0 3 291.395 2.298 10 0 CEAEHN CNCc1cncc(Oc2cc(F)cc(F)c2)n1 ZINC000091435211 180154518 /nfs/dbraw/zinc/15/45/18/180154518.db2.gz JCSPZQFOHVHYKP-UHFFFAOYSA-N 0 3 251.236 2.267 10 0 CEAEHN CCN1C(=O)C[C@@H](N)[C@@H]1c1ccc(Br)c(C)c1 ZINC000091476280 180165938 /nfs/dbraw/zinc/16/59/38/180165938.db2.gz VUSWGADBXIFGPG-YPMHNXCESA-N 0 3 297.196 2.378 10 0 CEAEHN CSC1(C(N)=S)CCN(CCc2cccnc2)CC1 ZINC000091478929 180166107 /nfs/dbraw/zinc/16/61/07/180166107.db2.gz NGJNQJRDFRRTHT-UHFFFAOYSA-N 0 3 295.477 2.108 10 0 CEAEHN CSC1(C(N)=S)CCN(Cc2ccccn2)CC1 ZINC000091488577 180168311 /nfs/dbraw/zinc/16/83/11/180168311.db2.gz LTMGKFKBHHJRTC-UHFFFAOYSA-N 0 3 281.450 2.065 10 0 CEAEHN CC1(C)C(C(=O)N[C@@H]2c3ccccc3C[C@H]2N)C1(C)C ZINC000091494707 180171454 /nfs/dbraw/zinc/17/14/54/180171454.db2.gz KTNRRRKFWJUGFR-CHWSQXEVSA-N 0 3 272.392 2.410 10 0 CEAEHN CN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2N)C1 ZINC000091393047 180145401 /nfs/dbraw/zinc/14/54/01/180145401.db2.gz PQUQAVRZCSDEKI-NSHDSACASA-N 0 3 281.787 2.088 10 0 CEAEHN CN(C)[C@H]1CCCN(C(=O)c2c(N)cccc2Cl)C1 ZINC000091395422 180146255 /nfs/dbraw/zinc/14/62/55/180146255.db2.gz MLNDUJDWZHGWRB-JTQLQIEISA-N 0 3 281.787 2.088 10 0 CEAEHN CCOC(=O)[C@H]1C[C@@]12CCN(Cc1ccccc1)C2 ZINC000104853503 186028978 /nfs/dbraw/zinc/02/89/78/186028978.db2.gz FCWLRKKKNGDVQE-GDBMZVCRSA-N 0 3 259.349 2.462 10 0 CEAEHN c1ncc(CN[C@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000091415110 180149125 /nfs/dbraw/zinc/14/91/25/180149125.db2.gz MXXVAJWIKCWLOC-HNNXBMFYSA-N 0 3 271.364 2.429 10 0 CEAEHN CNCc1cncc(-n2cc(-c3ccccc3)cn2)n1 ZINC000091422528 180151173 /nfs/dbraw/zinc/15/11/73/180151173.db2.gz ZWRMHPPSQZAXHV-UHFFFAOYSA-N 0 3 265.320 2.049 10 0 CEAEHN Cc1cc(C)n(-c2cncc(CNC(C)(C)C)n2)n1 ZINC000091422353 180151382 /nfs/dbraw/zinc/15/13/82/180151382.db2.gz YZWXFPMLUSVHID-UHFFFAOYSA-N 0 3 259.357 2.167 10 0 CEAEHN CCCNCc1cncc(-n2ccnc2CCC)n1 ZINC000091422537 180151512 /nfs/dbraw/zinc/15/15/12/180151512.db2.gz SLFLHONZYSYPHE-UHFFFAOYSA-N 0 3 259.357 2.114 10 0 CEAEHN CC(C)([C@@H](N)c1ccc(F)c(F)c1F)N1CCOCC1 ZINC000091566326 180194001 /nfs/dbraw/zinc/19/40/01/180194001.db2.gz ULMGAGWAKSRPKW-ZDUSSCGKSA-N 0 3 288.313 2.215 10 0 CEAEHN CN[C@@H](c1ccc(F)cc1F)C(C)(C)N1CCOCC1 ZINC000091566460 180194218 /nfs/dbraw/zinc/19/42/18/180194218.db2.gz NQOKWWKVWURNEW-AWEZNQCLSA-N 0 3 284.350 2.336 10 0 CEAEHN COc1ccc(Cl)cc1[C@@H](N)C(C)(C)N1CCOCC1 ZINC000091566311 180194251 /nfs/dbraw/zinc/19/42/51/180194251.db2.gz RNQVRPAYITXRPM-CQSZACIVSA-N 0 3 298.814 2.459 10 0 CEAEHN CCCn1cc([C@H](NCC)C(C)(C)N2CCOCC2)cn1 ZINC000091567008 180194886 /nfs/dbraw/zinc/19/48/86/180194886.db2.gz IGNBXBWDMMGJBO-HNNXBMFYSA-N 0 3 294.443 2.055 10 0 CEAEHN CCCn1nccc1[C@H](NC)[C@](C)(CC)N(C)C ZINC000091570498 180195734 /nfs/dbraw/zinc/19/57/34/180195734.db2.gz QXAJHAKRUCKSKO-KBPBESRZSA-N 0 3 252.406 2.284 10 0 CEAEHN CCN1C(=O)C[C@H](N[C@@H](c2cccs2)C(C)C)C1=O ZINC000105113204 186042175 /nfs/dbraw/zinc/04/21/75/186042175.db2.gz QJOKYFCLTBUFLJ-GXFFZTMASA-N 0 3 280.393 2.182 10 0 CEAEHN CCN(CC)[C@@](C)(CC)[C@@H](NC)c1cnccn1 ZINC000091599176 180202620 /nfs/dbraw/zinc/20/26/20/180202620.db2.gz ISSCSNQPDVWGKT-KBPBESRZSA-N 0 3 250.390 2.248 10 0 CEAEHN CCN[C@@H](c1cnn(CC)c1)[C@](C)(CC)N1CCOCC1 ZINC000091612999 180207543 /nfs/dbraw/zinc/20/75/43/180207543.db2.gz MEOWRJXSAPBRFI-HOTGVXAUSA-N 0 3 294.443 2.055 10 0 CEAEHN Cc1cc(F)cc([N-]S(=O)(=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000091516511 180177460 /nfs/dbraw/zinc/17/74/60/180177460.db2.gz UEUHZQDKIFTHTM-GFCCVEGCSA-N 0 3 286.372 2.018 10 0 CEAEHN CN(C)C(C)(C)C(=O)CCc1ccc2c(c1)CCO2 ZINC000091528052 180180027 /nfs/dbraw/zinc/18/00/27/180180027.db2.gz YXEPETUJTXGURA-UHFFFAOYSA-N 0 3 261.365 2.463 10 0 CEAEHN CCCN[C@@H](c1nccn1CC)C(C)(C)N(C)C ZINC000091529546 180180986 /nfs/dbraw/zinc/18/09/86/180180986.db2.gz MWMLTMAJNMGXID-LBPRGKRZSA-N 0 3 252.406 2.284 10 0 CEAEHN COc1ccccc1CCN(C)C[C@@H](O)COC(C)(C)C ZINC000104962726 186037012 /nfs/dbraw/zinc/03/70/12/186037012.db2.gz NDBSNCMITWWTEE-OAHLLOKOSA-N 0 3 295.423 2.346 10 0 CEAEHN CCN(CC)C1([C@H](NC)c2cnccn2)CCCC1 ZINC000091639450 180212228 /nfs/dbraw/zinc/21/22/28/180212228.db2.gz RTLGGYKBVGWNGH-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718696 180233115 /nfs/dbraw/zinc/23/31/15/180233115.db2.gz ZWIAPBSGOQYRTD-CVEARBPZSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@@H](c1ccc(C)cc1)[C@H]1CN(C)CCO1 ZINC000091719236 180234472 /nfs/dbraw/zinc/23/44/72/180234472.db2.gz IFUKMIUUNGCWHB-CVEARBPZSA-N 0 3 262.397 2.366 10 0 CEAEHN N[C@H](c1cnc2ccccc2c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720624 180235606 /nfs/dbraw/zinc/23/56/06/180235606.db2.gz XUOXLWZKRXNQLW-DJIMGWMZSA-N 0 3 283.375 2.098 10 0 CEAEHN CN[C@H](c1cc(F)ccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721357 180238367 /nfs/dbraw/zinc/23/83/67/180238367.db2.gz HSKDOPKYWQTBRB-VNQPRFMTSA-N 0 3 278.371 2.258 10 0 CEAEHN CN[C@@H]1CC(C)(C)Cc2nc([C@@H]3CN(C)CCO3)sc21 ZINC000091722478 180240057 /nfs/dbraw/zinc/24/00/57/180240057.db2.gz ODXJTMRVRMZTBP-PWSUYJOCSA-N 0 3 295.452 2.379 10 0 CEAEHN Cc1noc(CCNCc2cnc(C(C)(C)C)s2)n1 ZINC000105469003 186058688 /nfs/dbraw/zinc/05/86/88/186058688.db2.gz VTGNNQNJKCVYAA-UHFFFAOYSA-N 0 3 280.397 2.464 10 0 CEAEHN C[NH2+]C1CCC(N(C)C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000091854535 180274327 /nfs/dbraw/zinc/27/43/27/180274327.db2.gz KLMPZYQYQZLTAG-UHFFFAOYSA-N 0 3 292.379 2.003 10 0 CEAEHN CNCc1ncoc1-c1cc(OC)c(OC)cc1OC ZINC000091957675 180292673 /nfs/dbraw/zinc/29/26/73/180292673.db2.gz MFHFIIZEFODGNN-UHFFFAOYSA-N 0 3 278.308 2.087 10 0 CEAEHN CCN(CC)C(=O)N1CCNCC12CCCCC2 ZINC000091962130 180293403 /nfs/dbraw/zinc/29/34/03/180293403.db2.gz URGZAEGAVWSCBD-UHFFFAOYSA-N 0 3 253.390 2.056 10 0 CEAEHN CC[C@H]1CN(Cc2nc(C)ccc2[O-])[C@@H](CC)C[NH2+]1 ZINC000091996180 180302159 /nfs/dbraw/zinc/30/21/59/180302159.db2.gz CDGPSDWMWFFEKO-STQMWFEESA-N 0 3 263.385 2.058 10 0 CEAEHN Cc1ccc(C(=O)CN2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000092002062 180304306 /nfs/dbraw/zinc/30/43/06/180304306.db2.gz YWZIGGOVBFXFOT-CVEARBPZSA-N 0 3 272.392 2.346 10 0 CEAEHN CCC[C@H](C)N(C)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115709 180327350 /nfs/dbraw/zinc/32/73/50/180327350.db2.gz XGFJHXPQQBHDBF-JTQLQIEISA-N 0 3 288.388 2.094 10 0 CEAEHN CN[C@H](c1ccc(OC)cc1OC)C(C)(C)OC ZINC000092138827 180333821 /nfs/dbraw/zinc/33/38/21/180333821.db2.gz HSZRVZZCHLJVNV-CYBMUJFWSA-N 0 3 253.342 2.389 10 0 CEAEHN COC(C)(C)c1nc(C)c(CNC(C)C)c(C)n1 ZINC000092141019 180333878 /nfs/dbraw/zinc/33/38/78/180333878.db2.gz CQLBQIOUODDBNH-UHFFFAOYSA-N 0 3 251.374 2.473 10 0 CEAEHN CCNCc1nc(CN2C[C@H](C)[C@@H](C)C2)cs1 ZINC000092089351 180321755 /nfs/dbraw/zinc/32/17/55/180321755.db2.gz HDBLOJAYNZVBPM-QWRGUYRKSA-N 0 3 253.415 2.340 10 0 CEAEHN C[C@@H]1CN(c2ccc(CNC(C)(C)C)nn2)C[C@H]1C ZINC000092089035 180321765 /nfs/dbraw/zinc/32/17/65/180321765.db2.gz FGFHXYLOARUYLX-VXGBXAGGSA-N 0 3 262.401 2.457 10 0 CEAEHN CCN[C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)cc1 ZINC000092093968 180323013 /nfs/dbraw/zinc/32/30/13/180323013.db2.gz HBDROPZYTNEMMH-VNHYZAJKSA-N 0 3 288.391 2.287 10 0 CEAEHN CCOC(=O)CCN(C)C[C@@H]1COc2ccccc21 ZINC000092305685 180360501 /nfs/dbraw/zinc/36/05/01/180360501.db2.gz ZXXXUKMQMJUFIZ-GFCCVEGCSA-N 0 3 263.337 2.048 10 0 CEAEHN CNCc1c(C)nn(C[C@H]2COc3ccccc32)c1C ZINC000092304772 180360586 /nfs/dbraw/zinc/36/05/86/180360586.db2.gz BBAXIIFJRIZDDE-ZDUSSCGKSA-N 0 3 271.364 2.396 10 0 CEAEHN CC(C)CCOCCN1CCC(Nc2cccnn2)CC1 ZINC000105909967 186089870 /nfs/dbraw/zinc/08/98/70/186089870.db2.gz ZCTMMMSWMVRXLY-UHFFFAOYSA-N 0 3 292.427 2.416 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)N1CCC[C@@H](NC2CC2)C1=O ZINC000092341994 180365801 /nfs/dbraw/zinc/36/58/01/180365801.db2.gz LTFUWBXQAPLTIS-ZWNOBZJWSA-N 0 3 277.368 2.095 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1CCC(=O)NC(C)C ZINC000105895757 186086435 /nfs/dbraw/zinc/08/64/35/186086435.db2.gz HSZPARRCLGZFFD-AWEZNQCLSA-N 0 3 292.427 2.089 10 0 CEAEHN COc1ccc(CN(C)Cc2cc(N)ccn2)cc1 ZINC000092418562 180380861 /nfs/dbraw/zinc/38/08/61/180380861.db2.gz NYINOPORGIZKIQ-UHFFFAOYSA-N 0 3 257.337 2.304 10 0 CEAEHN CCCNc1ccnc(CN2CCn3ccnc3C2)c1 ZINC000092419102 180381809 /nfs/dbraw/zinc/38/18/09/180381809.db2.gz UBORTHGPEKFESX-UHFFFAOYSA-N 0 3 271.368 2.116 10 0 CEAEHN CCCNc1ccnc(CSCC(=O)OC)c1 ZINC000092420902 180382228 /nfs/dbraw/zinc/38/22/28/180382228.db2.gz QWPOGECAKQCTMJ-UHFFFAOYSA-N 0 3 254.355 2.310 10 0 CEAEHN CCOCCO[C@H]1CCc2ccc(OC)cc2[C@@H]1NC ZINC000092386387 180373391 /nfs/dbraw/zinc/37/33/91/180373391.db2.gz AZVXEAARFGCLPV-HOTGVXAUSA-N 0 3 279.380 2.324 10 0 CEAEHN CCOCCO[C@H]1CCc2ccc(OC)cc2[C@H]1N ZINC000092386399 180373453 /nfs/dbraw/zinc/37/34/53/180373453.db2.gz QCUHETCOTWIWFH-LSDHHAIUSA-N 0 3 265.353 2.063 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](OCC1CCOCC1)CC2 ZINC000092386805 180374208 /nfs/dbraw/zinc/37/42/08/180374208.db2.gz LZSMHCQMHSBJFW-SJORKVTESA-N 0 3 291.391 2.453 10 0 CEAEHN Cc1nnc(-c2ccccc2NC(=O)CNC(C)(C)C)o1 ZINC000092460645 180389622 /nfs/dbraw/zinc/38/96/22/180389622.db2.gz JNEADUOFDWIERE-UHFFFAOYSA-N 0 3 288.351 2.372 10 0 CEAEHN CC[C@@H](C)CN[C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000107862976 186194988 /nfs/dbraw/zinc/19/49/88/186194988.db2.gz VJLJIXXQNAJOQJ-TZMCWYRMSA-N 0 3 280.412 2.472 10 0 CEAEHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1F ZINC000107926133 186198088 /nfs/dbraw/zinc/19/80/88/186198088.db2.gz MDWKEZKAPFCOEU-FUNVUKJBSA-N 0 3 265.328 2.322 10 0 CEAEHN Cc1nc(N2CC[C@@H](N3CCCCC3)C2)sc1CO ZINC000110276249 186289545 /nfs/dbraw/zinc/28/95/45/186289545.db2.gz HTWVXXZFMPESTE-GFCCVEGCSA-N 0 3 281.425 2.008 10 0 CEAEHN CCc1nc(-c2ccc3c(c2)CCN3C)nc(NN)c1C ZINC000110477644 186299127 /nfs/dbraw/zinc/29/91/27/186299127.db2.gz QOAISACEHVANNC-UHFFFAOYSA-N 0 3 283.379 2.292 10 0 CEAEHN CN[C@@H](CO[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000110526854 186301174 /nfs/dbraw/zinc/30/11/74/186301174.db2.gz RSTGZZMMPGNFHL-STQMWFEESA-N 0 3 261.321 2.499 10 0 CEAEHN COc1cc(N(CCN(C)C)CC(C)C)c(N)cc1F ZINC000110627315 186307079 /nfs/dbraw/zinc/30/70/79/186307079.db2.gz JPRJCJLTLHLPQX-UHFFFAOYSA-N 0 3 283.391 2.441 10 0 CEAEHN COC(=O)[C@](N)(CN(C)CC1CCCC1)c1ccccc1 ZINC000110840552 186328871 /nfs/dbraw/zinc/32/88/71/186328871.db2.gz DMYAZLDSNOWLFV-KRWDZBQOSA-N 0 3 290.407 2.136 10 0 CEAEHN Nc1ccc2nc(CCSc3cnccn3)[nH]c2c1 ZINC000110912437 186333008 /nfs/dbraw/zinc/33/30/08/186333008.db2.gz HABLMSNVOSVVKE-UHFFFAOYSA-N 0 3 271.349 2.270 10 0 CEAEHN CCN([C@@H]1CCCNC1)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000110941400 186334704 /nfs/dbraw/zinc/33/47/04/186334704.db2.gz RRONGQMDJMQPHE-CQSZACIVSA-N 0 3 296.436 2.066 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1O[C@H]1CCCCNC1=O ZINC000110959958 186336279 /nfs/dbraw/zinc/33/62/79/186336279.db2.gz REKVFULCJJBSNV-JSGCOSHPSA-N 0 3 276.380 2.323 10 0 CEAEHN CCOc1ccc(N)cc1CN1CCN(C)[C@@H](CC)C1 ZINC000110703546 186314668 /nfs/dbraw/zinc/31/46/68/186314668.db2.gz ZGGUABKYFAUSAB-HNNXBMFYSA-N 0 3 277.412 2.194 10 0 CEAEHN CC[C@H]1CN(Cc2cc([C@@H](C)O)ccc2OC)CCN1C ZINC000110736010 186316881 /nfs/dbraw/zinc/31/68/81/186316881.db2.gz PZOBGGCVDCFLNM-CJNGLKHVSA-N 0 3 292.423 2.275 10 0 CEAEHN CCc1ccc([C@@H](O)CN2CCN(C)C(C)(C)C2)cc1 ZINC000110736294 186318020 /nfs/dbraw/zinc/31/80/20/186318020.db2.gz QVMXLLQLTVFMRJ-INIZCTEOSA-N 0 3 276.424 2.308 10 0 CEAEHN CCNc1cc(CN2CCN(C)C(C)(C)C2)ccn1 ZINC000110743246 186318419 /nfs/dbraw/zinc/31/84/19/186318419.db2.gz XOKWFKVLPUAWIK-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN CCOC(CCN1CCN(C(C)(C)C)CC1)OCC ZINC000110785189 186324604 /nfs/dbraw/zinc/32/46/04/186324604.db2.gz JHNBDBCVDCKNDC-UHFFFAOYSA-N 0 3 272.433 2.192 10 0 CEAEHN CS(=O)(=O)CCS[C@@H](CN)c1cccc(Cl)c1 ZINC000111003955 186341614 /nfs/dbraw/zinc/34/16/14/186341614.db2.gz SCJVRKZXJAVWCV-NSHDSACASA-N 0 3 293.841 2.118 10 0 CEAEHN CN[C@H](C)c1c(F)cccc1SCCS(C)(=O)=O ZINC000111005133 186342204 /nfs/dbraw/zinc/34/22/04/186342204.db2.gz UIMNOOLHUAIVAR-SECBINFHSA-N 0 3 291.413 2.243 10 0 CEAEHN CN(C[C@@H]1CCCO1)[C@@H](CN)c1cccc(F)c1F ZINC000111039515 186346450 /nfs/dbraw/zinc/34/64/50/186346450.db2.gz LMJUGDPTOXLYPQ-GWCFXTLKSA-N 0 3 270.323 2.075 10 0 CEAEHN CCCOCCOC[C@@H](NC)c1ccc2c(c1)OCCO2 ZINC000111107883 186352252 /nfs/dbraw/zinc/35/22/52/186352252.db2.gz PRTQDHOZMABAIY-CQSZACIVSA-N 0 3 295.379 2.162 10 0 CEAEHN CCCOCCOC[C@H](NC)c1ccc(OC)c(OC)c1 ZINC000111107890 186352653 /nfs/dbraw/zinc/35/26/53/186352653.db2.gz XYUXISPWDHXQKL-AWEZNQCLSA-N 0 3 297.395 2.408 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1cccc(OCC)c1 ZINC000111117275 186354867 /nfs/dbraw/zinc/35/48/67/186354867.db2.gz PJOCWQNUJJQMPW-INIZCTEOSA-N 0 3 280.412 2.444 10 0 CEAEHN Cc1nc(N(C)C[C@H]2CCCOC2)sc1[C@@H](C)N ZINC000111177016 186364922 /nfs/dbraw/zinc/36/49/22/186364922.db2.gz LJBJCROVKCWJIS-MWLCHTKSSA-N 0 3 269.414 2.334 10 0 CEAEHN CCNc1ncccc1CN(C)C[C@@H]1CCCOC1 ZINC000111170711 186365359 /nfs/dbraw/zinc/36/53/59/186365359.db2.gz FOLJUZDJWLMWBG-ZDUSSCGKSA-N 0 3 263.385 2.372 10 0 CEAEHN Cc1nn(-c2ccccn2)c2ncc(CNC3CC3)cc12 ZINC000111339780 186401866 /nfs/dbraw/zinc/40/18/66/186401866.db2.gz ZAKWBMNRRODBPF-UHFFFAOYSA-N 0 3 279.347 2.376 10 0 CEAEHN Cc1ccccc1CN(C)C(=O)c1ccc(CN)cn1 ZINC000111281500 186387954 /nfs/dbraw/zinc/38/79/54/186387954.db2.gz HYDKLIUEDSNUCQ-UHFFFAOYSA-N 0 3 269.348 2.121 10 0 CEAEHN CC(C)CCC[C@@H](C)NC(=O)c1ccc(CN)cn1 ZINC000111281801 186388304 /nfs/dbraw/zinc/38/83/04/186388304.db2.gz HECOQHMPMUVJFR-GFCCVEGCSA-N 0 3 263.385 2.485 10 0 CEAEHN Cc1ccc(C(=O)N2CCC[C@H]2CCC[NH3+])c([O-])c1 ZINC000111370946 186408322 /nfs/dbraw/zinc/40/83/22/186408322.db2.gz YQFFMVIHBVXWBP-GFCCVEGCSA-N 0 3 262.353 2.044 10 0 CEAEHN CCN1CCC[C@H](NCc2ccc(Br)cn2)C1 ZINC000070396502 363078501 /nfs/dbraw/zinc/07/85/01/363078501.db2.gz OWGPXXJATOGLJT-ZDUSSCGKSA-N 0 3 298.228 2.418 10 0 CEAEHN COc1ccccc1[C@@H](C)NC[C@@H](C)N1CCOCC1 ZINC000123340707 187085813 /nfs/dbraw/zinc/08/58/13/187085813.db2.gz VFTDWFUKBACKIZ-ZIAGYGMSSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN1CCC[C@H]1CN(C)c1cc(C(C)=O)ccn1 ZINC000094997424 539889239 /nfs/dbraw/zinc/88/92/39/539889239.db2.gz FPYDZCBMLYJADT-AWEZNQCLSA-N 0 3 261.369 2.205 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2sccc2C)C1 ZINC000252744196 539897610 /nfs/dbraw/zinc/89/76/10/539897610.db2.gz RFBJBOYUDMFCCB-CHWSQXEVSA-N 0 3 268.426 2.428 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@@H]1CCCO1 ZINC000252692648 539893347 /nfs/dbraw/zinc/89/33/47/539893347.db2.gz AQHGKJFKKKSHGE-ILXRZTDVSA-N 0 3 252.402 2.114 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)CNc1ccccc1)N(C)C ZINC000153975641 188115544 /nfs/dbraw/zinc/11/55/44/188115544.db2.gz XCBLYAFOSAIBMU-DZGCQCFKSA-N 0 3 277.412 2.334 10 0 CEAEHN CCC[C@@H](C(=O)N1CCN(c2cccs2)CC1)N(C)C ZINC000154061406 188120893 /nfs/dbraw/zinc/12/08/93/188120893.db2.gz CZJXILUJMLUEOQ-ZDUSSCGKSA-N 0 3 295.452 2.127 10 0 CEAEHN Cc1nc(C)c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000155313290 188198423 /nfs/dbraw/zinc/19/84/23/188198423.db2.gz OJHYWFHRFOQHIN-CABZTGNLSA-N 0 3 281.425 2.218 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000155754494 188225701 /nfs/dbraw/zinc/22/57/01/188225701.db2.gz QNBRODDETZEUGD-RISCZKNCSA-N 0 3 264.344 2.284 10 0 CEAEHN CCc1nnc([C@@H]2C[N@H+](C[C@H]3CC=CCC3)CCO2)[n-]1 ZINC000156703978 188277350 /nfs/dbraw/zinc/27/73/50/188277350.db2.gz MJZOELYIGNAQLI-STQMWFEESA-N 0 3 276.384 2.097 10 0 CEAEHN CCc1nnc([C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)[n-]1 ZINC000156703978 188277352 /nfs/dbraw/zinc/27/73/52/188277352.db2.gz MJZOELYIGNAQLI-STQMWFEESA-N 0 3 276.384 2.097 10 0 CEAEHN Cn1cc([C@H]2CCCN2CCN2CCCCC2)cn1 ZINC000132276658 366132378 /nfs/dbraw/zinc/13/23/78/366132378.db2.gz JUPUWXHYJWOVPJ-OAHLLOKOSA-N 0 3 262.401 2.043 10 0 CEAEHN C[C@@H]1CCC[C@H](CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000133396083 366218798 /nfs/dbraw/zinc/21/87/98/366218798.db2.gz MGEULEDXIREOHZ-PMPSAXMXSA-N 0 3 277.412 2.410 10 0 CEAEHN Cn1nc(NC(=O)OC(C)(C)C)cc1CNC1CC1 ZINC000675051659 540065306 /nfs/dbraw/zinc/06/53/06/540065306.db2.gz WQUVECSHPPRHTP-UHFFFAOYSA-N 0 3 266.345 2.019 10 0 CEAEHN CCCN[S@](=O)(=NC(C)C)c1ccc(N)cc1 ZINC000675076043 540117340 /nfs/dbraw/zinc/11/73/40/540117340.db2.gz SNQXHCALSWCFPR-KRWDZBQOSA-N 0 3 255.387 2.419 10 0 CEAEHN C[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cn1 ZINC000134063992 366282498 /nfs/dbraw/zinc/28/24/98/366282498.db2.gz WCWDCHRMTPQYID-MJVIPROJSA-N 0 3 252.333 2.422 10 0 CEAEHN CC1(C)C[C@]1(N)c1ccc(I)cn1 ZINC000575558038 366295598 /nfs/dbraw/zinc/29/55/98/366295598.db2.gz BCTHORXPZFPHGN-JTQLQIEISA-N 0 3 288.132 2.270 10 0 CEAEHN COc1cccc(CNC[C@H]2CCC[C@H]2O)c1F ZINC000165871161 540326226 /nfs/dbraw/zinc/32/62/26/540326226.db2.gz FYVIHQCOUZLVRW-ZYHUDNBSSA-N 0 3 253.317 2.085 10 0 CEAEHN C[C@@H]1[C@H](c2ccccc2)C[C@H](N)C(=O)N1CC(F)(F)F ZINC000149577961 366591307 /nfs/dbraw/zinc/59/13/07/366591307.db2.gz VKOYIDUVQJQGCB-JLLWLGSASA-N 0 3 286.297 2.281 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(COC)cc1 ZINC000176963890 189017455 /nfs/dbraw/zinc/01/74/55/189017455.db2.gz RCZDPVYWYXMQLD-INIZCTEOSA-N 0 3 290.407 2.389 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cnc(C)s1 ZINC000176980977 189018409 /nfs/dbraw/zinc/01/84/09/189018409.db2.gz PQUFPAJPWDRXLW-LLVKDONJSA-N 0 3 267.398 2.008 10 0 CEAEHN Cc1cc(NC(=O)N2CCN3CCC[C@@H]3C2)cnc1Cl ZINC000177963550 189082342 /nfs/dbraw/zinc/08/23/42/189082342.db2.gz XAYDEWCXNGRUQL-GFCCVEGCSA-N 0 3 294.786 2.355 10 0 CEAEHN CSC[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000152019771 366684097 /nfs/dbraw/zinc/68/40/97/366684097.db2.gz CAPQIVSKQSNJQC-JSGCOSHPSA-N 0 3 295.452 2.340 10 0 CEAEHN CC[C@@H](C)Oc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccn1 ZINC000180253587 189246566 /nfs/dbraw/zinc/24/65/66/189246566.db2.gz XHVUTZXLUFLQMW-OCCSQVGLSA-N 0 3 291.395 2.035 10 0 CEAEHN CC[C@@H](NC[C@H]1CN(C)CCO1)c1cc(C)ccc1OC ZINC000180490921 189258086 /nfs/dbraw/zinc/25/80/86/189258086.db2.gz RKPLLEFTJSZURI-GOEBONIOSA-N 0 3 292.423 2.375 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1O ZINC000181184685 189290081 /nfs/dbraw/zinc/29/00/81/189290081.db2.gz LAFSQTGKJSORKN-JSGCOSHPSA-N 0 3 276.380 2.159 10 0 CEAEHN COc1cccc(CN)c1Oc1nc(C)cc(C)n1 ZINC000011849431 361365970 /nfs/dbraw/zinc/36/59/70/361365970.db2.gz YYDLGPYTRRRAGA-UHFFFAOYSA-N 0 3 259.309 2.353 10 0 CEAEHN N[C@@H](Cn1cccn1)c1ccc(Br)cc1 ZINC000011849830 361366604 /nfs/dbraw/zinc/36/66/04/361366604.db2.gz FUMVJFJUIGNJAX-NSHDSACASA-N 0 3 266.142 2.346 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCc1cccnc1 ZINC000083704299 363784932 /nfs/dbraw/zinc/78/49/32/363784932.db2.gz XGVMXYLTNGPSRL-GOEBONIOSA-N 0 3 259.397 2.183 10 0 CEAEHN C[C@@H](NCC(=O)Nc1cc(F)ccc1F)[C@H]1CCCO1 ZINC000183089817 189346325 /nfs/dbraw/zinc/34/63/25/189346325.db2.gz GNEHCNKQQWBMML-NOZJJQNGSA-N 0 3 284.306 2.060 10 0 CEAEHN C[C@H](NCc1cc(F)cc2c1OCOC2)[C@@H]1CCCO1 ZINC000183190520 189349736 /nfs/dbraw/zinc/34/97/36/189349736.db2.gz LKEGOBXPWIRNQC-HZMBPMFUSA-N 0 3 281.327 2.349 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NCCN1CCOCC1 ZINC000019954678 361570634 /nfs/dbraw/zinc/57/06/34/361570634.db2.gz DAMGOAITVPGSHG-CQSZACIVSA-N 0 3 278.396 2.068 10 0 CEAEHN OC1CC(CNCc2ccccc2Br)C1 ZINC000084447719 363811478 /nfs/dbraw/zinc/81/14/78/363811478.db2.gz HDHXKHOLRJPRRI-UHFFFAOYSA-N 0 3 270.170 2.310 10 0 CEAEHN O=C(N[C@H]1CCCN(C2CCC2)C1)c1ccc2n[nH]cc2c1 ZINC000089196925 363946809 /nfs/dbraw/zinc/94/68/09/363946809.db2.gz HZECIBIWEYMBFU-AWEZNQCLSA-N 0 3 298.390 2.310 10 0 CEAEHN CC(=O)Nc1ccccc1CN1CCN2CCCC[C@@H]2C1 ZINC000092616211 364087829 /nfs/dbraw/zinc/08/78/29/364087829.db2.gz YLBIFRDOEDNLSA-MRXNPFEDSA-N 0 3 287.407 2.315 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(Cc3cccn3C)C2)no1 ZINC000092814308 364109341 /nfs/dbraw/zinc/10/93/41/364109341.db2.gz SSKWRVXVGYWYGA-ZDUSSCGKSA-N 0 3 274.368 2.171 10 0 CEAEHN c1cc(CN2CCCN(c3cccnn3)CC2)cs1 ZINC000093151005 364147491 /nfs/dbraw/zinc/14/74/91/364147491.db2.gz LHTRUFNWKUHUBL-UHFFFAOYSA-N 0 3 274.393 2.250 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC2(C)COC2)c1C ZINC000094721886 364291002 /nfs/dbraw/zinc/29/10/02/364291002.db2.gz GQVGVMKPPUKAJN-JTQLQIEISA-N 0 3 251.374 2.207 10 0 CEAEHN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCCN1 ZINC000156837405 366838774 /nfs/dbraw/zinc/83/87/74/366838774.db2.gz NWHPTOOTIGTZEK-MXWKQRLJSA-N 0 3 278.318 2.366 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000113232941 364879119 /nfs/dbraw/zinc/87/91/19/364879119.db2.gz BOOJVSRTQZWOIZ-NWDGAFQWSA-N 0 3 290.411 2.016 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nc(-c2ccccc2)no1 ZINC000113271931 364882399 /nfs/dbraw/zinc/88/23/99/364882399.db2.gz JDZSAMYJKPRQQI-UKRRQHHQSA-N 0 3 298.390 2.405 10 0 CEAEHN Cc1ncc(CN2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000116320475 365051721 /nfs/dbraw/zinc/05/17/21/365051721.db2.gz KEQSAGHFIVXHBU-LLVKDONJSA-N 0 3 262.382 2.175 10 0 CEAEHN CN(C)C[C@H]1CN(CCSc2ccccc2)CCO1 ZINC000117880780 365130356 /nfs/dbraw/zinc/13/03/56/365130356.db2.gz RPQHTKWEPHBYOQ-AWEZNQCLSA-N 0 3 280.437 2.041 10 0 CEAEHN C[C@H]1SCCN(C[C@@H](O)COCc2ccccc2)[C@@H]1C ZINC000118534436 365162835 /nfs/dbraw/zinc/16/28/35/365162835.db2.gz VTROOSJAPURTND-IIAWOOMASA-N 0 3 295.448 2.390 10 0 CEAEHN CCC1(CN2CCO[C@@H]3CCC[C@H]32)CCOCC1 ZINC000335979127 365246403 /nfs/dbraw/zinc/24/64/03/365246403.db2.gz MBZWPNDVABBMFS-ZIAGYGMSSA-N 0 3 253.386 2.447 10 0 CEAEHN CN(C)CCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119334022 365255656 /nfs/dbraw/zinc/25/56/56/365255656.db2.gz MCXNDRIBXVLVQH-AWEZNQCLSA-N 0 3 279.359 2.064 10 0 CEAEHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000119943571 365348898 /nfs/dbraw/zinc/34/88/98/365348898.db2.gz IUKDJZJVCCFDMF-XQQFMLRXSA-N 0 3 278.421 2.323 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2nc(C(C)(C)C)cs2)CCO1 ZINC000120609872 365449563 /nfs/dbraw/zinc/44/95/63/365449563.db2.gz DTRCNIDENJGVNO-GFCCVEGCSA-N 0 3 297.468 2.203 10 0 CEAEHN CCC[C@@H](N)C(=O)N(CC)C[C@@H](O)c1ccc(C)cc1 ZINC000161953905 367124432 /nfs/dbraw/zinc/12/44/32/367124432.db2.gz FDXIPADSSJNTHL-HUUCEWRRSA-N 0 3 278.396 2.004 10 0 CEAEHN Cc1ccc(C[C@H](C)NC(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000162121953 367139517 /nfs/dbraw/zinc/13/95/17/367139517.db2.gz WZTHCUGLTQOHNZ-AAEUAGOBSA-N 0 3 295.452 2.333 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](C)Oc1ccccc1)N(C)C ZINC000162143583 367140692 /nfs/dbraw/zinc/14/06/92/367140692.db2.gz LCKZVNSUFHVEBX-ZFWWWQNUSA-N 0 3 278.396 2.300 10 0 CEAEHN NCc1cn(-c2ccc(C(F)(F)F)nc2)nc1Cl ZINC000584619502 367174066 /nfs/dbraw/zinc/17/40/66/367174066.db2.gz RHMLBWQVJXHWHB-UHFFFAOYSA-N 0 3 276.649 2.398 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000245459030 370823947 /nfs/dbraw/zinc/82/39/47/370823947.db2.gz DELMPPCBUJBNRK-XHSDSOJGSA-N 0 3 295.471 2.097 10 0 CEAEHN Cc1cc(F)ccc1CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000245693297 370858878 /nfs/dbraw/zinc/85/88/78/370858878.db2.gz BTKXFLLTVWLNJN-UONOGXRCSA-N 0 3 280.387 2.021 10 0 CEAEHN CCN1CCO[C@H](CNCc2cccc(C3CC3)c2)C1 ZINC000165901537 367314579 /nfs/dbraw/zinc/31/45/79/367314579.db2.gz OUFKFJMQEARONC-QGZVFWFLSA-N 0 3 274.408 2.374 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc(Cl)s2)C1 ZINC000170830921 367427652 /nfs/dbraw/zinc/42/76/52/367427652.db2.gz LQNGVOZOTUJPBC-SECBINFHSA-N 0 3 287.816 2.247 10 0 CEAEHN Cc1ccccc1C[C@@H](C)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170831941 367427919 /nfs/dbraw/zinc/42/79/19/367427919.db2.gz BXOHCNPIORTTLX-GDBMZVCRSA-N 0 3 289.423 2.272 10 0 CEAEHN C[C@@H](Cc1cccs1)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170830079 367428056 /nfs/dbraw/zinc/42/80/56/367428056.db2.gz DXQZLKGBZFXJBO-RYUDHWBXSA-N 0 3 281.425 2.025 10 0 CEAEHN CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170837057 367429234 /nfs/dbraw/zinc/42/92/34/367429234.db2.gz ZCKLCBJOOAFSCS-JKSUJKDBSA-N 0 3 289.423 2.353 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1cccs1 ZINC000170863214 367434570 /nfs/dbraw/zinc/43/45/70/367434570.db2.gz LVSGNRJNXGVXQJ-GHMZBOCLSA-N 0 3 267.398 2.155 10 0 CEAEHN COc1ccccc1/C(C)=C/C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170868564 367436185 /nfs/dbraw/zinc/43/61/85/367436185.db2.gz XFZXVHLPFLPJCS-YPDDLIOESA-N 0 3 288.391 2.261 10 0 CEAEHN Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170867271 367436254 /nfs/dbraw/zinc/43/62/54/367436254.db2.gz HXLMTCWUJIENSA-CYBMUJFWSA-N 0 3 285.391 2.181 10 0 CEAEHN Cn1cc(C(=O)N2CCN3CCC[C@@H]3C2)c2ccccc21 ZINC000171584966 367571584 /nfs/dbraw/zinc/57/15/84/367571584.db2.gz XLUGQZRTYDFRQC-CYBMUJFWSA-N 0 3 283.375 2.099 10 0 CEAEHN CCc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)s1 ZINC000171901535 367635498 /nfs/dbraw/zinc/63/54/98/367635498.db2.gz GJAASQAWNHKRCV-GFCCVEGCSA-N 0 3 293.436 2.300 10 0 CEAEHN CCc1ccccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000172633310 367790783 /nfs/dbraw/zinc/79/07/83/367790783.db2.gz KULWHOAKEREVSH-INIZCTEOSA-N 0 3 287.407 2.239 10 0 CEAEHN CC(C)c1noc([C@@H](C)N2CCN3CCCC[C@@H]3C2)n1 ZINC000172800782 367821242 /nfs/dbraw/zinc/82/12/42/367821242.db2.gz WISFBVLSMMSKQM-CHWSQXEVSA-N 0 3 278.400 2.424 10 0 CEAEHN COC(=O)c1oc(CN2CCN3CCCC[C@@H]3C2)cc1C ZINC000172805246 367821830 /nfs/dbraw/zinc/82/18/30/367821830.db2.gz PKQKXIHTRHBBMB-CYBMUJFWSA-N 0 3 292.379 2.045 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2cc(C)ccc2C)CC1 ZINC000174071901 367978302 /nfs/dbraw/zinc/97/83/02/367978302.db2.gz FTGQVHGWLFQOSK-QGZVFWFLSA-N 0 3 276.424 2.192 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1C ZINC000175357431 368128538 /nfs/dbraw/zinc/12/85/38/368128538.db2.gz PLSBDKJVHOAHTG-OAHLLOKOSA-N 0 3 289.423 2.350 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000174968814 368084241 /nfs/dbraw/zinc/08/42/41/368084241.db2.gz SGHQBQWAHAGYMV-CHWSQXEVSA-N 0 3 293.798 2.434 10 0 CEAEHN Cc1ccccc1CCCN1CCO[C@H](CN(C)C)C1 ZINC000175906525 368188003 /nfs/dbraw/zinc/18/80/03/368188003.db2.gz QUKUTKPHWVPACZ-QGZVFWFLSA-N 0 3 276.424 2.190 10 0 CEAEHN O[C@@H](CNc1ncc(Cl)cc1F)CN1CCCCC1 ZINC000175399337 368133319 /nfs/dbraw/zinc/13/33/19/368133319.db2.gz AIAFYOCAQODNAJ-NSHDSACASA-N 0 3 287.766 2.133 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N(C)C2CCCC2)[C@@H](C)C1 ZINC000176681829 368251432 /nfs/dbraw/zinc/25/14/32/368251432.db2.gz AUSDSGCKJKPICW-JSGCOSHPSA-N 0 3 267.417 2.299 10 0 CEAEHN COc1ccc([C@@H](C)CC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000176205382 368211705 /nfs/dbraw/zinc/21/17/05/368211705.db2.gz DIOVQKYEFQOTQY-ZFWWWQNUSA-N 0 3 290.407 2.351 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC1(O)CCCCC1 ZINC000177044019 368257544 /nfs/dbraw/zinc/25/75/44/368257544.db2.gz NWXAVXBXGXCXBS-CQSZACIVSA-N 0 3 282.428 2.014 10 0 CEAEHN CCc1onc(C)c1NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000179030989 368320194 /nfs/dbraw/zinc/32/01/94/368320194.db2.gz IZKXEUNIGMFXFT-LLVKDONJSA-N 0 3 280.372 2.151 10 0 CEAEHN C[C@@H](OC1CCCCCC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177549472 368273639 /nfs/dbraw/zinc/27/36/39/368273639.db2.gz AWICAEZFZPGHBJ-HUUCEWRRSA-N 0 3 294.439 2.421 10 0 CEAEHN C[C@H](Cc1ccccc1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000182038913 368517862 /nfs/dbraw/zinc/51/78/62/368517862.db2.gz PUUBBSNAEFBJLI-AEFFLSMTSA-N 0 3 299.418 2.463 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCCOC(C)C ZINC000182982791 368602680 /nfs/dbraw/zinc/60/26/80/368602680.db2.gz CBNOTPLKCXPKSU-AWEZNQCLSA-N 0 3 270.417 2.134 10 0 CEAEHN C[C@@H](CN(C)C[C@H](O)COC(C)(C)C)c1nccs1 ZINC000183973721 368660897 /nfs/dbraw/zinc/66/08/97/368660897.db2.gz XWWKKEGRPIITPV-RYUDHWBXSA-N 0 3 286.441 2.354 10 0 CEAEHN C/C=C/C[C@H](CO)NCc1cnc2c(cnn2C(C)C)c1 ZINC000185815910 368866626 /nfs/dbraw/zinc/86/66/26/368866626.db2.gz QJOXQEQHEYTHDE-MBVDDHJVSA-N 0 3 288.395 2.429 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2cncs2)C12CCOCC2 ZINC000186503975 368984405 /nfs/dbraw/zinc/98/44/05/368984405.db2.gz UWGCSULZLDMMKV-STQMWFEESA-N 0 3 282.409 2.207 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@H]2CCCS(=O)(=O)CC2)o1 ZINC000634950431 368985792 /nfs/dbraw/zinc/98/57/92/368985792.db2.gz RQGILZRVKRWQEQ-NEPJUHHUSA-N 0 3 271.382 2.206 10 0 CEAEHN CN(CCN(C)Cc1cnccn1)Cc1ccc(F)cc1 ZINC000187133686 369107793 /nfs/dbraw/zinc/10/77/93/369107793.db2.gz KICZFCCJJYNVPE-UHFFFAOYSA-N 0 3 288.370 2.180 10 0 CEAEHN CCOC(CN1C[C@@H](c2ccsc2)[C@H](CO)C1)OCC ZINC000188158192 369309002 /nfs/dbraw/zinc/30/90/02/369309002.db2.gz IRWQTVAIILNPHQ-KBPBESRZSA-N 0 3 299.436 2.155 10 0 CEAEHN CC[C@@H](N[C@@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000188182536 369312577 /nfs/dbraw/zinc/31/25/77/369312577.db2.gz UHGARELNJGDEQW-ZIAGYGMSSA-N 0 3 274.343 2.473 10 0 CEAEHN COC(=O)c1ccc(CN2C[C@@H]3CCCN3C[C@@H]2C)s1 ZINC000246410761 370958050 /nfs/dbraw/zinc/95/80/50/370958050.db2.gz BCRICAXUAJYTIB-RYUDHWBXSA-N 0 3 294.420 2.203 10 0 CEAEHN C[C@H](CNCc1ccc(Cl)cc1F)N1CCOCC1 ZINC000189242219 369481940 /nfs/dbraw/zinc/48/19/40/369481940.db2.gz KTUKDWWAHDRXKY-LLVKDONJSA-N 0 3 286.778 2.289 10 0 CEAEHN Cc1ccc2cc(CN[C@H]3CCc4ncnn4C3)ccc2n1 ZINC000189324700 369497475 /nfs/dbraw/zinc/49/74/75/369497475.db2.gz HSQSWBRDAQDNJS-HNNXBMFYSA-N 0 3 293.374 2.239 10 0 CEAEHN CC(=O)CC(C)(C)CC(=O)N[C@H](CC(C)C)CN(C)C ZINC000191788402 369743284 /nfs/dbraw/zinc/74/32/84/369743284.db2.gz HHUWLUQGPZZZCH-CQSZACIVSA-N 0 3 284.444 2.474 10 0 CEAEHN CCCCOC[C@H](O)CN(Cc1ccncc1)C1CC1 ZINC000195202876 370114682 /nfs/dbraw/zinc/11/46/82/370114682.db2.gz XWXZKMFLWDDMPB-MRXNPFEDSA-N 0 3 278.396 2.224 10 0 CEAEHN C[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCS1 ZINC000221543914 370241572 /nfs/dbraw/zinc/24/15/72/370241572.db2.gz UKLGZCSZOISRGZ-UKRRQHHQSA-N 0 3 281.421 2.001 10 0 CEAEHN CC(C)CC[C@H](N)C(=O)N[C@H](C)COCc1ccccc1 ZINC000638020604 370246820 /nfs/dbraw/zinc/24/68/20/370246820.db2.gz JYHATARTZDVURQ-ZBFHGGJFSA-N 0 3 292.423 2.471 10 0 CEAEHN Clc1cc(N2CCN3CCCC[C@@H]3C2)ccn1 ZINC000229719177 370429755 /nfs/dbraw/zinc/42/97/55/370429755.db2.gz YGFJPDFGNINHLJ-GFCCVEGCSA-N 0 3 251.761 2.410 10 0 CEAEHN COCc1ccc(CNCCn2cc(C)cn2)cc1 ZINC000230657188 370461988 /nfs/dbraw/zinc/46/19/88/370461988.db2.gz VFIBOYULOSFAKL-UHFFFAOYSA-N 0 3 259.353 2.128 10 0 CEAEHN COc1cccc(Cl)c1CNC(=O)[C@]1(C)CCCCN1 ZINC000234893820 370548090 /nfs/dbraw/zinc/54/80/90/370548090.db2.gz CTCVVPWTASUSRY-HNNXBMFYSA-N 0 3 296.798 2.497 10 0 CEAEHN CCCCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247049661 371054617 /nfs/dbraw/zinc/05/46/17/371054617.db2.gz IGZYJPYGZCUXCK-OLZOCXBDSA-N 0 3 255.406 2.157 10 0 CEAEHN COCc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000247086073 371061593 /nfs/dbraw/zinc/06/15/93/371061593.db2.gz HZYJSLRQGFANJU-CJNGLKHVSA-N 0 3 288.391 2.142 10 0 CEAEHN CCc1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000247263880 371084581 /nfs/dbraw/zinc/08/45/81/371084581.db2.gz YWJQHWSRKOQFOQ-GJZGRUSLSA-N 0 3 276.424 2.136 10 0 CEAEHN CN(C)C[C@H]1CN([C@H]2CCCc3ccccc32)CCO1 ZINC000247363688 371099125 /nfs/dbraw/zinc/09/91/25/371099125.db2.gz MSWFIYXIJHHBSX-RDJZCZTQSA-N 0 3 274.408 2.326 10 0 CEAEHN Cc1noc(C)c1[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000247462795 371110368 /nfs/dbraw/zinc/11/03/68/371110368.db2.gz QZCSMYXUALQCLB-UHIISALHSA-N 0 3 291.395 2.090 10 0 CEAEHN CC(C)[C@H](C)NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248764371 371243063 /nfs/dbraw/zinc/24/30/63/371243063.db2.gz NUOTZWDWFOSOJZ-MCIONIFRSA-N 0 3 269.433 2.451 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000249362586 371316216 /nfs/dbraw/zinc/31/62/16/371316216.db2.gz SXMCBMJCCGCCJD-HZSPNIEDSA-N 0 3 254.418 2.371 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCN2CC=CCC2)c1C ZINC000359062666 371323654 /nfs/dbraw/zinc/32/36/54/371323654.db2.gz ZVBDYSNZAQDHCP-ZDUSSCGKSA-N 0 3 276.428 2.432 10 0 CEAEHN Cc1csc([C@H]2CCCN(C[C@@H](O)COC(C)C)C2)n1 ZINC000249880928 371368380 /nfs/dbraw/zinc/36/83/80/371368380.db2.gz NKANZOLVYWTESN-UONOGXRCSA-N 0 3 298.452 2.417 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1CCCO ZINC000251701471 371413653 /nfs/dbraw/zinc/41/36/53/371413653.db2.gz IZCZFZPZUYNZMT-CABCVRRESA-N 0 3 282.428 2.014 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@](C)(CC)c1nccs1 ZINC000236917439 189852248 /nfs/dbraw/zinc/85/22/48/189852248.db2.gz OMMPQGDUHSSAMU-CABZTGNLSA-N 0 3 255.387 2.012 10 0 CEAEHN CN1CCC[C@H]1CNC(=O)N[C@H]1CCCc2ccccc21 ZINC000249946192 371371304 /nfs/dbraw/zinc/37/13/04/371371304.db2.gz YVJJOSMNCHTZEB-HOCLYGCPSA-N 0 3 287.407 2.457 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccccn2)C1 ZINC000250246204 371381529 /nfs/dbraw/zinc/38/15/29/371381529.db2.gz XDINIMKYHOMRQB-ZIAGYGMSSA-N 0 3 290.411 2.268 10 0 CEAEHN CCn1c(C)cc(C(=O)CN2CCN3CCC[C@H]3C2)c1C ZINC000250445718 371384400 /nfs/dbraw/zinc/38/44/00/371384400.db2.gz HHYQUUNDLBUWKH-HNNXBMFYSA-N 0 3 289.423 2.088 10 0 CEAEHN CCCCOCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252662122 371463753 /nfs/dbraw/zinc/46/37/53/371463753.db2.gz UVNGUTXYOGQRAX-CABCVRRESA-N 0 3 254.418 2.362 10 0 CEAEHN C(C1CCSCC1)N1CCN2CCCC[C@H]2C1 ZINC000252966758 371491902 /nfs/dbraw/zinc/49/19/02/371491902.db2.gz XRJKPVGAHLRDTG-AWEZNQCLSA-N 0 3 254.443 2.300 10 0 CEAEHN O=C(/C=C\c1cccc(F)c1)N1CCN2CCC[C@H]2C1 ZINC000255299871 371572607 /nfs/dbraw/zinc/57/26/07/371572607.db2.gz BCQSDDJZNRVUQB-XHPSBEMXSA-N 0 3 274.339 2.146 10 0 CEAEHN C[C@@H]1CCC[C@@H](CCNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261774235 371727880 /nfs/dbraw/zinc/72/78/80/371727880.db2.gz MMGOEZHMDJVDAF-IPYPFGDCSA-N 0 3 282.428 2.073 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(Cc3cccc(N)c3)C2)no1 ZINC000261630091 371684221 /nfs/dbraw/zinc/68/42/21/371684221.db2.gz DNKDWHVOHHRMAT-AWEZNQCLSA-N 0 3 286.379 2.415 10 0 CEAEHN CCCc1cc(N2CCO[C@H](CO)C2)c2ccccc2n1 ZINC000269724170 372548747 /nfs/dbraw/zinc/54/87/47/372548747.db2.gz CVQGUDFDMHOBEN-AWEZNQCLSA-N 0 3 286.375 2.385 10 0 CEAEHN CCCCc1ccc(NC(=O)[C@H]2CNCCOC2)cc1 ZINC000643615842 373222778 /nfs/dbraw/zinc/22/27/78/373222778.db2.gz ZDODLQRUHVBNPI-AWEZNQCLSA-N 0 3 276.380 2.204 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)[C@H]1CNCCC1(F)F ZINC000644089400 373401407 /nfs/dbraw/zinc/40/14/07/373401407.db2.gz IWYWKAGPQGSRHA-WCQYABFASA-N 0 3 282.334 2.417 10 0 CEAEHN Clc1cccc(-c2noc([C@H]3CNCCOC3)n2)c1 ZINC000644511646 373503314 /nfs/dbraw/zinc/50/33/14/373503314.db2.gz NFRKSMCRQRMOEK-JTQLQIEISA-N 0 3 279.727 2.093 10 0 CEAEHN CC(C)(C)[C@@H](O)CNCc1cncc(Br)c1 ZINC000274357049 373892653 /nfs/dbraw/zinc/89/26/53/373892653.db2.gz UKNQSXYFVRGMPE-NSHDSACASA-N 0 3 287.201 2.341 10 0 CEAEHN Cc1cc(Cl)ccc1CN[C@@H]1CCC(=O)N[C@@H]1C ZINC000282391666 375472529 /nfs/dbraw/zinc/47/25/29/375472529.db2.gz OZOKFJRFNWJXTM-ZWNOBZJWSA-N 0 3 266.772 2.405 10 0 CEAEHN Cc1cc([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)c(C)o1 ZINC000282485840 375495436 /nfs/dbraw/zinc/49/54/36/375495436.db2.gz XEPZQZRVTOTSFB-OPQQBVKSSA-N 0 3 250.342 2.214 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NCc1ccnc(O[C@@H](C)CC)c1 ZINC000262101165 190048679 /nfs/dbraw/zinc/04/86/79/190048679.db2.gz CWNMPCOSYYPZAG-BLLLJJGKSA-N 0 3 293.411 2.393 10 0 CEAEHN COc1ccc(CNC[C@H](O)C(C)(C)C)c(F)c1 ZINC000324474468 376840559 /nfs/dbraw/zinc/84/05/59/376840559.db2.gz BMPYZSAETKAXMJ-ZDUSSCGKSA-N 0 3 255.333 2.331 10 0 CEAEHN CCNC(=O)C(C)(C)NC[C@H]1CCCCC1(F)F ZINC000313075829 249378956 /nfs/dbraw/zinc/37/89/56/249378956.db2.gz NZGGXFIGEWSHJR-SNVBAGLBSA-N 0 3 262.344 2.316 10 0 CEAEHN C[C@@H](NCC1CC(O)C1)c1cncc(Br)c1 ZINC000528018605 379880110 /nfs/dbraw/zinc/88/01/10/379880110.db2.gz NBHNHQVRNTVHAB-YDNLMGDJSA-N 0 3 285.185 2.266 10 0 CEAEHN CC(C)(C)n1cc(CN2CCC[C@H]2Cn2ccnc2)cn1 ZINC000188418986 542322044 /nfs/dbraw/zinc/32/20/44/542322044.db2.gz IZFVHOIKOQJAAK-HNNXBMFYSA-N 0 3 287.411 2.499 10 0 CEAEHN CC[C@@H](C)CN(C)S(=O)(=O)c1ccc(CNC)s1 ZINC000088952770 184615566 /nfs/dbraw/zinc/61/55/66/184615566.db2.gz KRVQGHOLDAPMHJ-SNVBAGLBSA-N 0 3 290.454 2.134 10 0 CEAEHN COC(=O)[C@@H](C)[C@H](C)NCc1cc(F)ccc1F ZINC000093029623 184643492 /nfs/dbraw/zinc/64/34/92/184643492.db2.gz WWPCACXFSJQAKS-IUCAKERBSA-N 0 3 257.280 2.252 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(C(C)C)C(C)C ZINC000175337502 285239010 /nfs/dbraw/zinc/23/90/10/285239010.db2.gz CLGFLZPEFYWAED-OAHLLOKOSA-N 0 3 283.460 2.048 10 0 CEAEHN C[C@@H](N)[C@H](C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935646 177903087 /nfs/dbraw/zinc/90/30/87/177903087.db2.gz OZETUOKRWUMCML-SFYZADRCSA-N 0 3 281.299 2.215 10 0 CEAEHN CCN[C@@H]1CCC[C@H]1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000081934724 177901705 /nfs/dbraw/zinc/90/17/05/177901705.db2.gz BTPKOHRKCSWGMF-CHWSQXEVSA-N 0 3 289.347 2.269 10 0 CEAEHN CNCc1cc(N2CC[C@H](COC)C2)c2ccccc2n1 ZINC000081117067 177773349 /nfs/dbraw/zinc/77/33/49/177773349.db2.gz YEIMOAIMSUHABH-ZDUSSCGKSA-N 0 3 285.391 2.427 10 0 CEAEHN Cc1ccc(C[C@@H](C)N[C@@H](C)C(=O)N(C)C)s1 ZINC000080245160 177631102 /nfs/dbraw/zinc/63/11/02/177631102.db2.gz FBKAEYNLWWOITD-KOLCDFICSA-N 0 3 254.399 2.054 10 0 CEAEHN CCN[C@@H](c1cc(Cl)cnc1N)[C@@H]1CSCCO1 ZINC000094503569 184811540 /nfs/dbraw/zinc/81/15/40/184811540.db2.gz IZUFABNTUIWPMW-QWRGUYRKSA-N 0 3 287.816 2.100 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)Oc1ccc(F)cc1[C@@H](C)N ZINC000094619965 184828043 /nfs/dbraw/zinc/82/80/43/184828043.db2.gz IFBDCUBJCPJDLW-GHMZBOCLSA-N 0 3 282.359 2.481 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)CNC(C)C)cc1F ZINC000094956487 184903859 /nfs/dbraw/zinc/90/38/59/184903859.db2.gz NZZQCFWTQRGURB-LLVKDONJSA-N 0 3 252.333 2.309 10 0 CEAEHN CCN[C@@H]1CCCN(c2cc(F)ccc2C)C1=O ZINC000071033498 134955333 /nfs/dbraw/zinc/95/53/33/134955333.db2.gz SCXSZAPWHDMSAH-GFCCVEGCSA-N 0 3 250.317 2.239 10 0 CEAEHN CN1C(=O)C[C@@H](NC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000085963539 135038677 /nfs/dbraw/zinc/03/86/77/135038677.db2.gz PQGLTBSYLCONLG-BJJXKVORSA-N 0 3 288.391 2.235 10 0 CEAEHN c1ccc(C[C@H]2CN(c3cccnc3)CCN2)cc1 ZINC000086122171 135038786 /nfs/dbraw/zinc/03/87/86/135038786.db2.gz UVEZYMAABVLSNW-HNNXBMFYSA-N 0 3 253.349 2.103 10 0 CEAEHN C[C@H]1CN(c2cncc(CNC(C)(C)C)n2)CC(C)(C)O1 ZINC000091420403 135069406 /nfs/dbraw/zinc/06/94/06/135069406.db2.gz PJSBGQNLALMZSH-LBPRGKRZSA-N 0 3 292.427 2.368 10 0 CEAEHN COCC1CCN(c2cncc(CNCC(C)C)n2)CC1 ZINC000091421815 135069472 /nfs/dbraw/zinc/06/94/72/135069472.db2.gz USCMDKIBYDCZOD-UHFFFAOYSA-N 0 3 292.427 2.085 10 0 CEAEHN CCCNCc1cncc(N2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000091420827 135069582 /nfs/dbraw/zinc/06/95/82/135069582.db2.gz VMTKUHSTCZSKEP-GJZGRUSLSA-N 0 3 290.411 2.124 10 0 CEAEHN CC1(C)CC[C@@H](CN2CCN(c3ccccn3)CC2)[C@@H]1O ZINC000094319369 135086115 /nfs/dbraw/zinc/08/61/15/135086115.db2.gz XJNLVYONPVNUQS-HOCLYGCPSA-N 0 3 289.423 2.001 10 0 CEAEHN Nc1ccc2nc(N3CCN4CCCC[C@@H]4C3)ccc2c1 ZINC000094439049 135087844 /nfs/dbraw/zinc/08/78/44/135087844.db2.gz WPEHATBAQHRYIJ-OAHLLOKOSA-N 0 3 282.391 2.492 10 0 CEAEHN CCc1cnc(CN2C[C@@H]3CCCCN3C[C@H]2C)o1 ZINC000300404588 394454997 /nfs/dbraw/zinc/45/49/97/394454997.db2.gz GQHBQOMWSJHEKZ-OLZOCXBDSA-N 0 3 263.385 2.296 10 0 CEAEHN COCCN1[C@@H](C)CN(c2nc3ccccc3[nH]2)C[C@@H]1C ZINC000301900244 394467208 /nfs/dbraw/zinc/46/72/08/394467208.db2.gz YXYYECBEGWJLAC-STQMWFEESA-N 0 3 288.395 2.108 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCc2ccccc2F)C1 ZINC000052500721 394558299 /nfs/dbraw/zinc/55/82/99/394558299.db2.gz RTWYVPRVYHFDJN-CQSZACIVSA-N 0 3 293.386 2.152 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000246820350 394521774 /nfs/dbraw/zinc/52/17/74/394521774.db2.gz DMPWTAOBYVRNCQ-QWHCGFSZSA-N 0 3 299.484 2.252 10 0 CEAEHN CCN(Cc1ccccn1)C[C@@H](O)COC(C)(C)C ZINC000131334070 394907580 /nfs/dbraw/zinc/90/75/80/394907580.db2.gz YFTAIDIFBSBSGI-CQSZACIVSA-N 0 3 266.385 2.080 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H]1CCCO[C@@H]1C(C)C)N(C)C ZINC000132962753 394940957 /nfs/dbraw/zinc/94/09/57/394940957.db2.gz KDUHTDLIOARKRV-RBSFLKMASA-N 0 3 284.444 2.284 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C)o1 ZINC000175032308 395130946 /nfs/dbraw/zinc/13/09/46/395130946.db2.gz XXCOUQDLMOIODY-QWHCGFSZSA-N 0 3 262.353 2.287 10 0 CEAEHN Cc1ccc([C@H]2CCCCN2CCCC(=O)NC(N)=O)o1 ZINC000172868832 395107176 /nfs/dbraw/zinc/10/71/76/395107176.db2.gz AEFVJWXTNLRVTN-GFCCVEGCSA-N 0 3 293.367 2.090 10 0 CEAEHN C[C@H]1CC[C@@H](C(=O)N(CCN(C)C)C2CCCCC2)O1 ZINC000178260320 300029762 /nfs/dbraw/zinc/02/97/62/300029762.db2.gz CPLIDMMVUCKWOA-ZFWWWQNUSA-N 0 3 282.428 2.277 10 0 CEAEHN CC(C)(N)c1cn(Cc2cnc3ccccc3c2)nn1 ZINC000379668113 395164993 /nfs/dbraw/zinc/16/49/93/395164993.db2.gz ALTNGHUNIMIXPM-UHFFFAOYSA-N 0 3 267.336 2.068 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2csc(C)c2)C1 ZINC000381427673 395175672 /nfs/dbraw/zinc/17/56/72/395175672.db2.gz BYXRMHGBSBBOJN-JSGCOSHPSA-N 0 3 268.426 2.428 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCC(C)(C)CC)C1 ZINC000192344645 395380999 /nfs/dbraw/zinc/38/09/99/395380999.db2.gz CKJYJLOYQSALRW-LBPRGKRZSA-N 0 3 255.406 2.206 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCc2ccc(OC)cc2)C1 ZINC000194625696 395443953 /nfs/dbraw/zinc/44/39/53/395443953.db2.gz ZINMDUJHEXAUCH-HNNXBMFYSA-N 0 3 290.407 2.228 10 0 CEAEHN CN(Cc1ccccc1)C[C@H](O)c1ccc(O)c(CO)c1 ZINC000584615143 395665497 /nfs/dbraw/zinc/66/54/97/395665497.db2.gz PFHNMOKBDRTIBU-KRWDZBQOSA-N 0 3 287.359 2.050 10 0 CEAEHN CC(C)(CN1CC[C@@H]2OCCN[C@@H]2C1)c1ccccc1 ZINC000647541086 395730324 /nfs/dbraw/zinc/73/03/24/395730324.db2.gz ZUEYKVPEELSRCZ-CVEARBPZSA-N 0 3 274.408 2.027 10 0 CEAEHN CCC[C@@H](C(=O)N1CCSC(C)(C)C1)N(C)C ZINC000152524584 289091929 /nfs/dbraw/zinc/09/19/29/289091929.db2.gz MLEUJGYCAQCBAJ-NSHDSACASA-N 0 3 258.431 2.071 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(CCSc2ccccc2)C1 ZINC000401597176 533674071 /nfs/dbraw/zinc/67/40/71/533674071.db2.gz WTZGVFJDLUVKQE-CHWSQXEVSA-N 0 3 251.395 2.481 10 0 CEAEHN COc1ccc([C@H](C)N[C@@H]2CCCNC(=O)C2)cc1OC ZINC000111826024 400274073 /nfs/dbraw/zinc/27/40/73/400274073.db2.gz HPTVEWTZFMAVSO-WCQYABFASA-N 0 3 292.379 2.023 10 0 CEAEHN CC(C)c1nnc2n1C[C@H](NCc1ccc(F)nc1)CC2 ZINC000189019853 153078020 /nfs/dbraw/zinc/07/80/20/153078020.db2.gz JFGIPZDZAGOZIP-GFCCVEGCSA-N 0 3 289.358 2.040 10 0 CEAEHN C[C@@H](NCc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCCO1 ZINC000192470065 153206582 /nfs/dbraw/zinc/20/65/82/153206582.db2.gz TXUGZAHJQNEYEM-MFKMUULPSA-N 0 3 292.404 2.257 10 0 CEAEHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)c2ccccc2n1 ZINC000195316678 153280428 /nfs/dbraw/zinc/28/04/28/153280428.db2.gz SRJRDBYCJHEWNZ-AWEZNQCLSA-N 0 3 295.386 2.463 10 0 CEAEHN O=C(c1cc2ccccc2o1)N1CCN2CCC[C@@H]2C1 ZINC000195313114 153280951 /nfs/dbraw/zinc/28/09/51/153280951.db2.gz AEBJQMGVXFZTAK-CYBMUJFWSA-N 0 3 270.332 2.353 10 0 CEAEHN Cc1cccc(CCC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000195323650 153282218 /nfs/dbraw/zinc/28/22/18/153282218.db2.gz UTOYBPHUAFJITH-INIZCTEOSA-N 0 3 272.392 2.234 10 0 CEAEHN O=C(CCc1cccc(F)c1F)N1CCN2CCC[C@@H]2C1 ZINC000195190358 153282905 /nfs/dbraw/zinc/28/29/05/153282905.db2.gz HCNIHVMADKXICA-CYBMUJFWSA-N 0 3 294.345 2.204 10 0 CEAEHN OCC[C@@H]1CCN(CCOc2ccccc2Cl)C1 ZINC000227567526 153347229 /nfs/dbraw/zinc/34/72/29/153347229.db2.gz KSORXUNJFPPIDP-LBPRGKRZSA-N 0 3 269.772 2.423 10 0 CEAEHN CCc1cnc(CN2CCN3CCCC[C@@H]3C2)s1 ZINC000230368388 153395312 /nfs/dbraw/zinc/39/53/12/153395312.db2.gz VUSJDEOULQXUQM-GFCCVEGCSA-N 0 3 265.426 2.376 10 0 CEAEHN C[C@H]1CCCC[C@@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263482981 154097087 /nfs/dbraw/zinc/09/70/87/154097087.db2.gz GRFTVLIQBBKVSO-MFNGEMCRSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H]1CCCC[C@@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482981 154097089 /nfs/dbraw/zinc/09/70/89/154097089.db2.gz GRFTVLIQBBKVSO-MFNGEMCRSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H]1CCCC[C@@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482981 154097096 /nfs/dbraw/zinc/09/70/96/154097096.db2.gz GRFTVLIQBBKVSO-MFNGEMCRSA-N 0 3 294.439 2.482 10 0 CEAEHN CO[C@H]1C[C@@H](CO)N(Cc2csc3ccccc23)C1 ZINC000344081017 154269981 /nfs/dbraw/zinc/26/99/81/154269981.db2.gz CJDGNJPFKKEWKK-STQMWFEESA-N 0 3 277.389 2.483 10 0 CEAEHN CCC(O)(CC)CN1CCN(C2CCCC2)CC1 ZINC000165210901 162340145 /nfs/dbraw/zinc/34/01/45/162340145.db2.gz LBPQLZACHKKXJO-UHFFFAOYSA-N 0 3 254.418 2.098 10 0 CEAEHN Cc1cc(-c2noc(C3(CN)CCOCC3)n2)ccc1F ZINC000166102098 162348616 /nfs/dbraw/zinc/34/86/16/162348616.db2.gz ZBHLASKJVFCJBW-UHFFFAOYSA-N 0 3 291.326 2.191 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000170833166 162374757 /nfs/dbraw/zinc/37/47/57/162374757.db2.gz XHROFSWUHSLWGS-HUUCEWRRSA-N 0 3 279.428 2.445 10 0 CEAEHN Cc1ccccc1CCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171807183 162391083 /nfs/dbraw/zinc/39/10/83/162391083.db2.gz UQRGLOSQZOMUBC-MRXNPFEDSA-N 0 3 287.407 2.027 10 0 CEAEHN C[C@H](c1nc(C(C)(C)C)no1)N1CCN2CCC[C@@H]2C1 ZINC000171639360 165051418 /nfs/dbraw/zinc/05/14/18/165051418.db2.gz BQBNYXFVOFQTNO-VXGBXAGGSA-N 0 3 278.400 2.208 10 0 CEAEHN O=C(NCCC1CCCC1)N1CCN2CCC[C@@H]2C1 ZINC000171901265 165053171 /nfs/dbraw/zinc/05/31/71/165053171.db2.gz YDNFGUXCUMSJPV-CQSZACIVSA-N 0 3 265.401 2.056 10 0 CEAEHN CC1(CNC(=O)N2CCN3CCC[C@@H]3C2)CCCC1 ZINC000171908101 165055285 /nfs/dbraw/zinc/05/52/85/165055285.db2.gz LTUDFAAODQZOQK-CYBMUJFWSA-N 0 3 265.401 2.056 10 0 CEAEHN CCc1cnc(NC(=O)N[C@H]2CCCN(CC)C2)s1 ZINC000174224451 165096056 /nfs/dbraw/zinc/09/60/56/165096056.db2.gz HDJIMBSMHXAMCP-JTQLQIEISA-N 0 3 282.413 2.311 10 0 CEAEHN CCOc1ncccc1C(=O)N(C)C[C@@H]1CCCN1CC ZINC000177005506 165181171 /nfs/dbraw/zinc/18/11/71/165181171.db2.gz JSSMRCRAKFIXLF-ZDUSSCGKSA-N 0 3 291.395 2.037 10 0 CEAEHN CCc1cc(C(=O)N2CCN3CCC[C@H]3C2)oc1CC ZINC000178577067 165248892 /nfs/dbraw/zinc/24/88/92/165248892.db2.gz OJHXDCNVFUEMKS-ZDUSSCGKSA-N 0 3 276.380 2.325 10 0 CEAEHN Cn1c(CN[C@@H](CCO)C2CCCCC2)nnc1C1CC1 ZINC000181492114 165344603 /nfs/dbraw/zinc/34/46/03/165344603.db2.gz FZWBPDQUQRUSFU-AWEZNQCLSA-N 0 3 292.427 2.113 10 0 CEAEHN c1cc(C2CCN(CCO[C@H]3CCCCO3)CC2)n[nH]1 ZINC000181670699 165352977 /nfs/dbraw/zinc/35/29/77/165352977.db2.gz KSCCQHZULXPWES-HNNXBMFYSA-N 0 3 279.384 2.132 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCCCOC(C)C ZINC000181922437 165360055 /nfs/dbraw/zinc/36/00/55/165360055.db2.gz JLIHQNKOVFMUFE-OAHLLOKOSA-N 0 3 299.459 2.317 10 0 CEAEHN CN(C)[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000003788487 169912582 /nfs/dbraw/zinc/91/25/82/169912582.db2.gz CQLMPRVJRPPDRW-GFCCVEGCSA-N 0 3 271.364 2.334 10 0 CEAEHN CCN(CC)CCn1nc(-c2ccccc2)ccc1=O ZINC000005388293 170093210 /nfs/dbraw/zinc/09/32/10/170093210.db2.gz IRTYEKDQTLTOKJ-UHFFFAOYSA-N 0 3 271.364 2.252 10 0 CEAEHN NCc1c(OCCN2CCOCC2)ccc2ccccc21 ZINC000011955340 170461808 /nfs/dbraw/zinc/46/18/08/170461808.db2.gz GREAUWKKZZMKEA-UHFFFAOYSA-N 0 3 286.375 2.010 10 0 CEAEHN N[C@@H](c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F ZINC000019842781 170891491 /nfs/dbraw/zinc/89/14/91/170891491.db2.gz LALFRGWVYGIVHP-ZDUSSCGKSA-N 0 3 257.268 2.043 10 0 CEAEHN Oc1ccc2c(c1)OC[C@@H]2NCCc1ccccn1 ZINC000019916839 170926123 /nfs/dbraw/zinc/92/61/23/170926123.db2.gz YDOCVTWNIIJMIS-AWEZNQCLSA-N 0 3 256.305 2.053 10 0 CEAEHN C[C@@H](NCCc1cccs1)C(=O)NC(C)(C)C ZINC000020358499 171157392 /nfs/dbraw/zinc/15/73/92/171157392.db2.gz DWIQYIJDSDKBOG-SNVBAGLBSA-N 0 3 254.399 2.183 10 0 CEAEHN CCCNC(=O)[C@@H](C)NCCCN(C)c1ccccc1 ZINC000020361870 171159886 /nfs/dbraw/zinc/15/98/86/171159886.db2.gz LYQUNCXSEWJGAY-CQSZACIVSA-N 0 3 277.412 2.017 10 0 CEAEHN CCOc1cc2c(cc1CNCCN(C)C)O[C@@H](C)C2 ZINC000022141147 171355147 /nfs/dbraw/zinc/35/51/47/171355147.db2.gz ZPGWZMGDYSJENI-LBPRGKRZSA-N 0 3 278.396 2.060 10 0 CEAEHN NCc1ccc(Oc2ccc3c(c2)CCC(=O)N3)nc1 ZINC000022171088 171368384 /nfs/dbraw/zinc/36/83/84/171368384.db2.gz WSPZUZFMMWWECW-UHFFFAOYSA-N 0 3 269.304 2.217 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc(OC(F)F)cc2)CCO1 ZINC000022218415 171376987 /nfs/dbraw/zinc/37/69/87/171376987.db2.gz UWOKNOAYIVEAOZ-MFKMUULPSA-N 0 3 286.322 2.009 10 0 CEAEHN COc1ccc([C@@H](N)CN(C)C(C)C)c(OC)c1 ZINC000022564987 171391748 /nfs/dbraw/zinc/39/17/48/171391748.db2.gz JYWBQINQNMATBU-ZDUSSCGKSA-N 0 3 252.358 2.044 10 0 CEAEHN CCNCc1c(C)nn(C)c1N(CC)CC(C)C ZINC000034825073 171879798 /nfs/dbraw/zinc/87/97/98/171879798.db2.gz HDUUJGUPAQEBGX-UHFFFAOYSA-N 0 3 252.406 2.320 10 0 CEAEHN COC(=O)c1cc(CN[C@H](C)[C@H]2CCCO2)oc1C ZINC000035273875 172094132 /nfs/dbraw/zinc/09/41/32/172094132.db2.gz XEKFTMGGTZHHSF-NOZJJQNGSA-N 0 3 267.325 2.032 10 0 CEAEHN C[C@H](N)c1ccc2ccccc2c1O[C@@H](C)C(N)=O ZINC000035427253 172194413 /nfs/dbraw/zinc/19/44/13/172194413.db2.gz PQENBEDAGNGBHA-UWVGGRQHSA-N 0 3 258.321 2.112 10 0 CEAEHN CN(c1nc2sccn2c1CNC1CC1)C1CC1 ZINC000035430076 172198455 /nfs/dbraw/zinc/19/84/55/172198455.db2.gz NMUCXJVHVSKNKU-UHFFFAOYSA-N 0 3 262.382 2.246 10 0 CEAEHN CN[C@H](c1cccnc1)c1ccc(OC)c(OC)c1 ZINC000035463283 172211043 /nfs/dbraw/zinc/21/10/43/172211043.db2.gz WFBLDVIWWKWIKB-HNNXBMFYSA-N 0 3 258.321 2.408 10 0 CEAEHN C[C@H](NC(=O)c1cccc(CN)c1)c1ccccn1 ZINC000035694385 172363231 /nfs/dbraw/zinc/36/32/31/172363231.db2.gz YAEMIFXOKUFTCM-NSHDSACASA-N 0 3 255.321 2.031 10 0 CEAEHN CN(CCCn1cc(N)ccc1=O)Cc1ccsc1 ZINC000035718356 172371995 /nfs/dbraw/zinc/37/19/95/172371995.db2.gz UYBOGVCKMCGPDS-UHFFFAOYSA-N 0 3 277.393 2.014 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)Cc1ccccc1)c1cccs1 ZINC000035736836 172389661 /nfs/dbraw/zinc/38/96/61/172389661.db2.gz CZYVZORSEYHVDA-WCQYABFASA-N 0 3 274.389 2.495 10 0 CEAEHN CC(C)C[C@H](N)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000037018341 172880399 /nfs/dbraw/zinc/88/03/99/172880399.db2.gz MEYJIVCWMPDXDR-VIFPVBQESA-N 0 3 284.743 2.381 10 0 CEAEHN COc1ccc(OC)c(CN[C@@H]2CCC[C@@H](O)C2)c1 ZINC000037166264 173000962 /nfs/dbraw/zinc/00/09/62/173000962.db2.gz LKRYNCMGPUJNBD-CHWSQXEVSA-N 0 3 265.353 2.097 10 0 CEAEHN Cc1ccc([C@H](CN)N(C)[C@@H]2CCSC2)s1 ZINC000037174543 173009561 /nfs/dbraw/zinc/00/95/61/173009561.db2.gz HKIHGVZVVWTHKI-MNOVXSKESA-N 0 3 256.440 2.494 10 0 CEAEHN CC(C)NCc1ccc(I)o1 ZINC000037186244 173017153 /nfs/dbraw/zinc/01/71/53/173017153.db2.gz WGCZVIZOGPOHFK-UHFFFAOYSA-N 0 3 265.094 2.382 10 0 CEAEHN OCCN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037250662 173062689 /nfs/dbraw/zinc/06/26/89/173062689.db2.gz RYLSFTMRRJHBRJ-SNVBAGLBSA-N 0 3 262.136 2.399 10 0 CEAEHN CCNC(=O)CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000037262537 173072738 /nfs/dbraw/zinc/07/27/38/173072738.db2.gz KJSNKEVJNWXTQV-AWEZNQCLSA-N 0 3 250.317 2.003 10 0 CEAEHN CC[C@@H](C)CN(C)CC(=O)Nc1ccc(C)cc1N ZINC000037273548 173085455 /nfs/dbraw/zinc/08/54/55/173085455.db2.gz QMIOJWRLKXCETC-LLVKDONJSA-N 0 3 263.385 2.494 10 0 CEAEHN COC(=O)CCNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000037301373 173107142 /nfs/dbraw/zinc/10/71/42/173107142.db2.gz JAKQUBYYNOYMMN-UHFFFAOYSA-N 0 3 299.754 2.154 10 0 CEAEHN CCCN[C@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037513779 173244855 /nfs/dbraw/zinc/24/48/55/173244855.db2.gz JISLQJQJXATDJN-LBPRGKRZSA-N 0 3 274.286 2.406 10 0 CEAEHN CCCN[C@@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000037513894 173245509 /nfs/dbraw/zinc/24/55/09/173245509.db2.gz ORIZIFNMFZQNQE-CYBMUJFWSA-N 0 3 252.383 2.109 10 0 CEAEHN CN1CCCN(Cc2ccc(N)cc2Br)CC1 ZINC000037515936 173247710 /nfs/dbraw/zinc/24/77/10/173247710.db2.gz JUVFCJMJXLNLES-UHFFFAOYSA-N 0 3 298.228 2.169 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1OCC(=O)OC ZINC000037710884 173630919 /nfs/dbraw/zinc/63/09/19/173630919.db2.gz QHTUPWDMYQXEOK-LLVKDONJSA-N 0 3 251.326 2.217 10 0 CEAEHN CCn1c(CN[C@H]2CCC[C@@H](O)C2)nc2ccccc21 ZINC000038046841 174055772 /nfs/dbraw/zinc/05/57/72/174055772.db2.gz IJQFWKJZEICZEN-QWHCGFSZSA-N 0 3 273.380 2.449 10 0 CEAEHN Cc1cc(C)c([C@H](C)NC[C@@H]2COCCO2)c(C)n1 ZINC000038061085 174072626 /nfs/dbraw/zinc/07/26/26/174072626.db2.gz OWLARFVRFOUMKJ-GXTWGEPZSA-N 0 3 264.369 2.073 10 0 CEAEHN CC[C@H](C)N[C@]1(C(N)=O)CCSc2ccccc21 ZINC000038065301 174075967 /nfs/dbraw/zinc/07/59/67/174075967.db2.gz XIKFQQQAZUDMCG-IINYFYTJSA-N 0 3 264.394 2.251 10 0 CEAEHN CC[C@H](C)N[C@@]1(C(N)=O)CCSc2ccccc21 ZINC000038065303 174076062 /nfs/dbraw/zinc/07/60/62/174076062.db2.gz XIKFQQQAZUDMCG-HZMBPMFUSA-N 0 3 264.394 2.251 10 0 CEAEHN COc1ccc([C@@H](CO)NC2CC2)cc1Br ZINC000038124410 174130774 /nfs/dbraw/zinc/13/07/74/174130774.db2.gz AULBMAZACCXVAY-LLVKDONJSA-N 0 3 286.169 2.243 10 0 CEAEHN C[C@H](CNC(=O)[C@@H]1Cc2ccccc2N1)N1CCCCC1 ZINC000040469006 174277811 /nfs/dbraw/zinc/27/78/11/174277811.db2.gz HHEYBIAMAOKYAA-CJNGLKHVSA-N 0 3 287.407 2.014 10 0 CEAEHN COC(=O)C[C@H](C)N[C@H](C)c1sc(C)nc1C ZINC000040518624 174307852 /nfs/dbraw/zinc/30/78/52/174307852.db2.gz CERCSJIZHNOHSX-JGVFFNPUSA-N 0 3 256.371 2.362 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519134 174308772 /nfs/dbraw/zinc/30/87/72/174308772.db2.gz CSCQPQMETBGJGJ-ZANVPECISA-N 0 3 269.414 2.455 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3c(F)cccc3F)c[nH]2)C1 ZINC000040637831 174361757 /nfs/dbraw/zinc/36/17/57/174361757.db2.gz UEMUOESJPWUXPK-LDYMZIIASA-N 0 3 279.290 2.404 10 0 CEAEHN c1ccc(CCN2CC[C@H](NCc3ccccn3)C2)cc1 ZINC000040671207 174368904 /nfs/dbraw/zinc/36/89/04/174368904.db2.gz RFTDRBKCFVMVDU-SFHVURJKSA-N 0 3 281.403 2.488 10 0 CEAEHN COc1ccc2c(c1)[C@H](N[C@@H]1CCCN(C)C1)CCO2 ZINC000040673110 174371352 /nfs/dbraw/zinc/37/13/52/174371352.db2.gz BQUXFVVDDFAICP-IUODEOHRSA-N 0 3 276.380 2.203 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2ccsc2)CC1 ZINC000040689123 174375763 /nfs/dbraw/zinc/37/57/63/174375763.db2.gz DPNVAQWFVDKRCV-ZDUSSCGKSA-N 0 3 254.399 2.249 10 0 CEAEHN Cc1nnc(Oc2cccc(N(C)C)c2)c(CN)c1C ZINC000040714112 174382018 /nfs/dbraw/zinc/38/20/18/174382018.db2.gz QWMJCNYLJKTNLV-UHFFFAOYSA-N 0 3 272.352 2.410 10 0 CEAEHN CC(C)COc1nc(N[C@H]2CCCN(C)C2)ccc1N ZINC000040715767 174382650 /nfs/dbraw/zinc/38/26/50/174382650.db2.gz WUGLACWUJVVFKU-LBPRGKRZSA-N 0 3 278.400 2.205 10 0 CEAEHN C[C@H]1CCN([C@@H](CN)c2cnn(-c3ccccc3)c2)C1 ZINC000040717583 174384836 /nfs/dbraw/zinc/38/48/36/174384836.db2.gz NIHISDLDIDBVTH-BBRMVZONSA-N 0 3 270.380 2.214 10 0 CEAEHN COc1cccc([C@H](CN)N2CC[C@@H](C)C2)c1OC ZINC000040717432 174384921 /nfs/dbraw/zinc/38/49/21/174384921.db2.gz DUQWFQKLLYQGQG-YPMHNXCESA-N 0 3 264.369 2.045 10 0 CEAEHN CC(C)(C)[C@H](N)C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000040828985 174411242 /nfs/dbraw/zinc/41/12/42/174411242.db2.gz IUMDOXQTZMQYAK-LLVKDONJSA-N 0 3 274.324 2.049 10 0 CEAEHN COc1ccc(CN[C@@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000404594073 414789351 /nfs/dbraw/zinc/78/93/51/414789351.db2.gz OIGUFTIGAMXPHF-VXGBXAGGSA-N 0 3 253.317 2.227 10 0 CEAEHN CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@H](CN)C(F)(F)F ZINC000662986385 414819116 /nfs/dbraw/zinc/81/91/16/414819116.db2.gz DLCPEWMYYSDLAR-VHSXEESVSA-N 0 3 278.318 2.305 10 0 CEAEHN Cc1nc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)co1 ZINC000660464479 414835573 /nfs/dbraw/zinc/83/55/73/414835573.db2.gz LLTKINIFUFEALW-ZNMIVQPWSA-N 0 3 264.369 2.499 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2ccc(F)c(F)c2F)C1 ZINC000657325753 414859671 /nfs/dbraw/zinc/85/96/71/414859671.db2.gz KQTNYJBLISOTQW-UWVGGRQHSA-N 0 3 259.271 2.497 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2ccc(F)c(F)c2F)C1 ZINC000657325755 414861659 /nfs/dbraw/zinc/86/16/59/414861659.db2.gz KQTNYJBLISOTQW-ZJUUUORDSA-N 0 3 259.271 2.497 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1CCn1cc(Cl)cn1 ZINC000312221642 414863010 /nfs/dbraw/zinc/86/30/10/414863010.db2.gz BDNNEMMKXJHAPF-GJZGRUSLSA-N 0 3 296.846 2.485 10 0 CEAEHN OCC1CC(NCc2cc(Cl)cc3c2OCC3)C1 ZINC000657811114 415089643 /nfs/dbraw/zinc/08/96/43/415089643.db2.gz QXKQQKUMNHWYPT-UHFFFAOYSA-N 0 3 267.756 2.135 10 0 CEAEHN C[C@]1(C2CC2)CN(C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000661172004 415121436 /nfs/dbraw/zinc/12/14/36/415121436.db2.gz PVVRXRLLNZEBEE-BPLDGKMQSA-N 0 3 253.386 2.038 10 0 CEAEHN CCN[C@@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300987 175001637 /nfs/dbraw/zinc/00/16/37/175001637.db2.gz FWJJNIGWFWWCAS-GXFFZTMASA-N 0 3 287.812 2.425 10 0 CEAEHN CCCN[C@H]1CCN(c2cc(OC)ccc2Cl)C1=O ZINC000043318016 175005049 /nfs/dbraw/zinc/00/50/49/175005049.db2.gz KJXZDIWYTUPQMA-LBPRGKRZSA-N 0 3 282.771 2.454 10 0 CEAEHN CCN(C[C@@H]1CCCO1)[C@@H](c1ccco1)[C@@H](C)N ZINC000043335743 175011012 /nfs/dbraw/zinc/01/10/12/175011012.db2.gz YYXXSCAFIHNWRZ-MBNYWOFBSA-N 0 3 252.358 2.169 10 0 CEAEHN C[C@@H](N)[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000043337842 175012506 /nfs/dbraw/zinc/01/25/06/175012506.db2.gz JUYAUPTXLIQEHN-QMTHXVAHSA-N 0 3 295.360 2.150 10 0 CEAEHN COc1cc(C)ccc1O[C@@H](CN)c1cccnc1 ZINC000043349949 175019294 /nfs/dbraw/zinc/01/92/94/175019294.db2.gz IVZSHVCEMNKQCA-HNNXBMFYSA-N 0 3 258.321 2.477 10 0 CEAEHN NC[C@H](Oc1ccc2c(c1)CCC(=O)N2)c1cccnc1 ZINC000043349214 175019405 /nfs/dbraw/zinc/01/94/05/175019405.db2.gz PXJUPVANLIGECW-HNNXBMFYSA-N 0 3 283.331 2.045 10 0 CEAEHN CCCN(CC(F)(F)F)[C@@H](CN)c1ccncc1 ZINC000043354833 175022076 /nfs/dbraw/zinc/02/20/76/175022076.db2.gz CWRWRERZIPNFNK-NSHDSACASA-N 0 3 261.291 2.356 10 0 CEAEHN CCOc1ccccc1[C@H](CN1CCOC(C)(C)C1)NC ZINC000043897708 175120695 /nfs/dbraw/zinc/12/06/95/175120695.db2.gz GFEWMAKRERCLAY-HNNXBMFYSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@@H](CN1CCOCC1(C)C)c1cccc(OC)c1 ZINC000043916694 175125794 /nfs/dbraw/zinc/12/57/94/175125794.db2.gz PIINLEIDULYRBQ-HNNXBMFYSA-N 0 3 278.396 2.067 10 0 CEAEHN CN(Cc1ccccc1)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044796872 175254614 /nfs/dbraw/zinc/25/46/14/175254614.db2.gz OFEYLQQXUSWLEY-QGZVFWFLSA-N 0 3 282.387 2.463 10 0 CEAEHN NC[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000044794418 175254814 /nfs/dbraw/zinc/25/48/14/175254814.db2.gz NWKFGQKYNIRYDT-MRXNPFEDSA-N 0 3 280.371 2.393 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](CN)Cc1ccccc1)c1ccncc1 ZINC000044801142 175255670 /nfs/dbraw/zinc/25/56/70/175255670.db2.gz ZXXZBZSTUIDPML-CZUORRHYSA-N 0 3 283.375 2.076 10 0 CEAEHN CCN(c1c(CN)c(C)nn1C)c1cccc(F)c1 ZINC000044928376 175278791 /nfs/dbraw/zinc/27/87/91/175278791.db2.gz IAMWPVZCHODCQE-UHFFFAOYSA-N 0 3 262.332 2.484 10 0 CEAEHN C[C@@H](Cn1c(N)cc2ccccc2c1=O)N1CCCCC1 ZINC000045006815 175289093 /nfs/dbraw/zinc/28/90/93/175289093.db2.gz GUNZFQJGUUWNFO-ZDUSSCGKSA-N 0 3 285.391 2.458 10 0 CEAEHN O=C([C@@H]1CCCCN1)N1CCC[C@@H]1C1CCCC1 ZINC000045088279 175304539 /nfs/dbraw/zinc/30/45/39/175304539.db2.gz RIDPXMVTWJXVAR-UONOGXRCSA-N 0 3 250.386 2.310 10 0 CEAEHN Cn1ccnc1CCNC1=NC[C@H](c2ccccc2)S1 ZINC000045136081 175313519 /nfs/dbraw/zinc/31/35/19/175313519.db2.gz GZRGNEHWLTWINH-CYBMUJFWSA-N 0 3 286.404 2.396 10 0 CEAEHN CN[C@H](C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138148 175314528 /nfs/dbraw/zinc/31/45/28/175314528.db2.gz VCVGZIUKYQPSCO-MFKMUULPSA-N 0 3 282.409 2.044 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c(C2(N)CCCC2)n1 ZINC000045169485 175319819 /nfs/dbraw/zinc/31/98/19/175319819.db2.gz HXEPVRYWSJKYOQ-UHFFFAOYSA-N 0 3 259.357 2.155 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CCCN(C)C2)c1C ZINC000045172150 175321570 /nfs/dbraw/zinc/32/15/70/175321570.db2.gz LFOAMOBFKJAJPJ-SMDDNHRTSA-N 0 3 264.417 2.265 10 0 CEAEHN CCN[C@@](CN1CCCC1)(C(=O)OCC)c1ccccc1 ZINC000045225700 175332727 /nfs/dbraw/zinc/33/27/27/175332727.db2.gz CKOLUIKDPJRECR-QGZVFWFLSA-N 0 3 290.407 2.150 10 0 CEAEHN CCCN(CC)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045267442 175339986 /nfs/dbraw/zinc/33/99/86/175339986.db2.gz SCULVYPSNJOGGQ-INIZCTEOSA-N 0 3 278.396 2.006 10 0 CEAEHN CCCCCN(C)C[C@@](NCC)(C(N)=O)c1ccccc1 ZINC000045268084 175340120 /nfs/dbraw/zinc/34/01/20/175340120.db2.gz OIZOSZJKUVUGLC-KRWDZBQOSA-N 0 3 291.439 2.099 10 0 CEAEHN CCCCCN(C)CC[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045268199 175340890 /nfs/dbraw/zinc/34/08/90/175340890.db2.gz UAYULLFHDDQOCT-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCCC[N@H+](C)CC[C@@](C)(NC1CC1)C(=O)[O-] ZINC000045268199 175340891 /nfs/dbraw/zinc/34/08/91/175340891.db2.gz UAYULLFHDDQOCT-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCCC[N@@H+](C)CC[C@@](C)(NC1CC1)C(=O)[O-] ZINC000045268199 175340892 /nfs/dbraw/zinc/34/08/92/175340892.db2.gz UAYULLFHDDQOCT-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CN[C@@](CN(C)[C@@H](C)C(C)C)(C(=O)OC)c1ccccc1 ZINC000045269805 175341337 /nfs/dbraw/zinc/34/13/37/175341337.db2.gz QXRUZHUSQWLCQO-WMLDXEAASA-N 0 3 292.423 2.251 10 0 CEAEHN CCN[C@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272079 175343078 /nfs/dbraw/zinc/34/30/78/175343078.db2.gz XIHOFDXMFOHSFN-SQWLQELKSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN[C@@](C)(CN(C)[C@@H](C)CC(C)C)C(=O)OCC ZINC000045279950 175350395 /nfs/dbraw/zinc/35/03/95/175350395.db2.gz NIKAUUOSGDVWAG-ZFWWWQNUSA-N 0 3 272.433 2.284 10 0 CEAEHN CC(C)C[N@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C(C)C ZINC000045280741 175351353 /nfs/dbraw/zinc/35/13/53/175351353.db2.gz DQNDZRJHSFJLHZ-HNNXBMFYSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)C[N@@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C(C)C ZINC000045280741 175351354 /nfs/dbraw/zinc/35/13/54/175351354.db2.gz DQNDZRJHSFJLHZ-HNNXBMFYSA-N 0 3 270.417 2.338 10 0 CEAEHN CCCN[C@@](C)(CN(C)CCC(C)C)C(=O)OCC ZINC000045281235 175351573 /nfs/dbraw/zinc/35/15/73/175351573.db2.gz VQKUIBPEYNEQCY-HNNXBMFYSA-N 0 3 272.433 2.286 10 0 CEAEHN CCCN[C@H](CN1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379481 175367977 /nfs/dbraw/zinc/36/79/77/175367977.db2.gz XJFWUYAYRJHTPZ-HZSPNIEDSA-N 0 3 270.417 2.181 10 0 CEAEHN C[C@@H](NC[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1F ZINC000658245592 415280939 /nfs/dbraw/zinc/28/09/39/415280939.db2.gz SRTJXBLMGVQBJQ-NXEZZACHSA-N 0 3 268.307 2.094 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000655526393 415326679 /nfs/dbraw/zinc/32/66/79/415326679.db2.gz PTSKQTVXLPERQJ-GXSJLCMTSA-N 0 3 262.344 2.444 10 0 CEAEHN COc1ccc(OC)c([C@H](C)NC2CC(CO)C2)c1 ZINC000658351918 415334415 /nfs/dbraw/zinc/33/44/15/415334415.db2.gz QWJHQBGUWPHJJW-UNXYVOJBSA-N 0 3 265.353 2.125 10 0 CEAEHN C[C@@H](NC[C@H]1CCC(=O)N1)c1ccc(Cl)s1 ZINC000070680434 176001357 /nfs/dbraw/zinc/00/13/57/176001357.db2.gz OIGSOUZLEJKECD-HTQZYQBOSA-N 0 3 258.774 2.331 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943594 176016426 /nfs/dbraw/zinc/01/64/26/176016426.db2.gz CFWHFXIORJGYFZ-UHFFFAOYSA-N 0 3 262.353 2.044 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1cccc(Br)c1 ZINC000071032524 176023626 /nfs/dbraw/zinc/02/36/26/176023626.db2.gz QHZCRGLZRIANPS-LBPRGKRZSA-N 0 3 295.180 2.306 10 0 CEAEHN Cc1ccc([C@H](C)N2CC[C@H](NC3CC3)C2=O)cc1 ZINC000071036614 176026132 /nfs/dbraw/zinc/02/61/32/176026132.db2.gz VFYJKCFGTNLZFW-WFASDCNBSA-N 0 3 258.365 2.409 10 0 CEAEHN CCCc1ccc(N2CC[C@@H](NC3CC3)C2=O)cc1 ZINC000071039719 176027350 /nfs/dbraw/zinc/02/73/50/176027350.db2.gz XRWJCEPQBORONW-OAHLLOKOSA-N 0 3 258.365 2.496 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1Cc1cc(F)ccc1F ZINC000071043752 176029812 /nfs/dbraw/zinc/02/98/12/176029812.db2.gz QTFTWMKLHUNMHX-CQSZACIVSA-N 0 3 280.318 2.208 10 0 CEAEHN C[C@@H](Cn1ccnc1)NC[C@H]1OCCc2ccccc21 ZINC000071090882 176031526 /nfs/dbraw/zinc/03/15/26/176031526.db2.gz FXXVMILERCASHJ-XJKSGUPXSA-N 0 3 271.364 2.175 10 0 CEAEHN CCNCc1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071098955 176032557 /nfs/dbraw/zinc/03/25/57/176032557.db2.gz MZLCLPZIYWOWSO-INIZCTEOSA-N 0 3 271.364 2.307 10 0 CEAEHN CC[C@@H]1CCC[C@H](OC[C@](NC2CC2)(C(N)=O)C2CC2)C1 ZINC000071134040 176035642 /nfs/dbraw/zinc/03/56/42/176035642.db2.gz UZLDSQUEGUTOCY-ISTRZQFTSA-N 0 3 294.439 2.358 10 0 CEAEHN CCNCc1ccccc1N1C(=O)C(C)=C(C)C1=O ZINC000071164317 176047060 /nfs/dbraw/zinc/04/70/60/176047060.db2.gz ZRCRHSXTZKIQBY-UHFFFAOYSA-N 0 3 258.321 2.006 10 0 CEAEHN Cc1nnc(Oc2cc(F)ccc2F)c(C(=N)N)c1C ZINC000071167857 176049644 /nfs/dbraw/zinc/04/96/44/176049644.db2.gz HIALYQXOYRVCBG-UHFFFAOYSA-N 0 3 278.262 2.448 10 0 CEAEHN Cc1c(Cl)nnc(N[C@@H]2CN3CCC2CC3)c1C ZINC000071171215 176051521 /nfs/dbraw/zinc/05/15/21/176051521.db2.gz BPCTWIATFIZTBA-LLVKDONJSA-N 0 3 266.776 2.253 10 0 CEAEHN CN(Cc1ccc(Cl)s1)c1cnc(CN)cn1 ZINC000071177910 176055844 /nfs/dbraw/zinc/05/58/44/176055844.db2.gz WXDQTPYGCNNLKC-UHFFFAOYSA-N 0 3 268.773 2.287 10 0 CEAEHN CCC[C@H](N[C@H]1CCN(C)C1=O)c1cccs1 ZINC000071183726 176059113 /nfs/dbraw/zinc/05/91/13/176059113.db2.gz CPWHIOFFQGLCEK-QWRGUYRKSA-N 0 3 252.383 2.410 10 0 CEAEHN Cc1ccc(CN)c(N[C@H](CO)Cc2ccccc2)c1 ZINC000071187512 176060794 /nfs/dbraw/zinc/06/07/94/176060794.db2.gz NUYXJPBNFSPGSF-INIZCTEOSA-N 0 3 270.376 2.469 10 0 CEAEHN CCOC(=O)c1ncsc1NC[C@@H]1CCN(C(C)C)C1 ZINC000071202017 176078291 /nfs/dbraw/zinc/07/82/91/176078291.db2.gz BZFZXTIPOCEWHS-NSHDSACASA-N 0 3 297.424 2.462 10 0 CEAEHN CC[C@H](C)N(CC)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071239752 176094593 /nfs/dbraw/zinc/09/45/93/176094593.db2.gz DZYSXOWTNWYZTR-JTQLQIEISA-N 0 3 288.388 2.094 10 0 CEAEHN CCCC[C@H](C)NS(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071244496 176094889 /nfs/dbraw/zinc/09/48/89/176094889.db2.gz UAZCXFKESLPVNC-JTQLQIEISA-N 0 3 288.388 2.141 10 0 CEAEHN CCC[C@@H](CC)NS(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071244429 176095110 /nfs/dbraw/zinc/09/51/10/176095110.db2.gz XBVMQZXAAZDUOA-LLVKDONJSA-N 0 3 288.388 2.141 10 0 CEAEHN NC(=S)c1cc(F)ccc1CN1C[C@H]2CC[C@@H]1C2 ZINC000071266016 176098966 /nfs/dbraw/zinc/09/89/66/176098966.db2.gz UPBSXEUZAKMFMJ-JOYOIKCWSA-N 0 3 264.369 2.444 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1ccc(C)cc1CNC ZINC000071403665 176155414 /nfs/dbraw/zinc/15/54/14/176155414.db2.gz DNQZBAMUCFDEBG-LBPRGKRZSA-N 0 3 264.369 2.008 10 0 CEAEHN c1csc([C@H]2CCCCN2C[C@H]2CCC3(CNC3)O2)n1 ZINC000662260287 415727804 /nfs/dbraw/zinc/72/78/04/415727804.db2.gz KNAAJEJRWCKMPI-CHWSQXEVSA-N 0 3 293.436 2.191 10 0 CEAEHN Cc1cc(Br)c(=O)n(C2CCN(C)CC2)c1 ZINC000071517734 176194140 /nfs/dbraw/zinc/19/41/40/176194140.db2.gz JQLGFTYTTRPZOR-UHFFFAOYSA-N 0 3 285.185 2.186 10 0 CEAEHN CCN(CC)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000071999548 176308243 /nfs/dbraw/zinc/30/82/43/176308243.db2.gz RVBRMHXFVXOOSR-HNNXBMFYSA-N 0 3 277.412 2.211 10 0 CEAEHN NC(=O)CC[C@H]1CCCN(Cc2cccc3nccnc23)C1 ZINC000072167974 176331834 /nfs/dbraw/zinc/33/18/34/176331834.db2.gz HQSFSQXDOXHUKA-CYBMUJFWSA-N 0 3 298.390 2.107 10 0 CEAEHN OCCC[C@H]1CCCN1Cc1cnc2ccccc2n1 ZINC000659871822 415751075 /nfs/dbraw/zinc/75/10/75/415751075.db2.gz XHLUECWWWRGGCF-CQSZACIVSA-N 0 3 271.364 2.367 10 0 CEAEHN CO[C@@H](CN1CCN2CCCC[C@H]2C1)C1CCCC1 ZINC000660076919 415871737 /nfs/dbraw/zinc/87/17/37/415871737.db2.gz LYXQWTXSIKDLTD-HOTGVXAUSA-N 0 3 266.429 2.362 10 0 CEAEHN Cc1cc2nc([C@H](C)N)cn2cc1Br ZINC000076792495 177097118 /nfs/dbraw/zinc/09/71/18/177097118.db2.gz FCZFXPDNZUKLAH-ZETCQYMHSA-N 0 3 254.131 2.425 10 0 CEAEHN Cc1noc(C)c1CCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000077729623 177296712 /nfs/dbraw/zinc/29/67/12/177296712.db2.gz UBHMHFUDFXUJBF-CQSZACIVSA-N 0 3 295.427 2.317 10 0 CEAEHN OC1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000078066679 177320649 /nfs/dbraw/zinc/32/06/49/177320649.db2.gz HBTTUZQMUHTLAB-UHFFFAOYSA-N 0 3 274.408 2.108 10 0 CEAEHN Cc1cc(CN[C@@H](C)CS(C)(=O)=O)c2ccccc2n1 ZINC000078639911 177363691 /nfs/dbraw/zinc/36/36/91/177363691.db2.gz VPRQIUVNKCKEJQ-LBPRGKRZSA-N 0 3 292.404 2.066 10 0 CEAEHN CC[C@](C)(CO)NCC(=O)Nc1cccc(Cl)c1 ZINC000080108602 177610079 /nfs/dbraw/zinc/61/00/79/177610079.db2.gz XLAKWRNWPRDAIO-CYBMUJFWSA-N 0 3 270.760 2.029 10 0 CEAEHN C[C@H]1C[C@@H](c2nc(COCC3CC3)no2)CCN1C ZINC000333846153 228216716 /nfs/dbraw/zinc/21/67/16/228216716.db2.gz MIVQWJZJNHBFAY-JQWIXIFHSA-N 0 3 265.357 2.194 10 0 CEAEHN CCCCOC[C@H](O)CN(C)[C@@H](C)c1ccco1 ZINC000195172710 262247539 /nfs/dbraw/zinc/24/75/39/262247539.db2.gz PTDAIKUPSJEKFD-QWHCGFSZSA-N 0 3 255.358 2.450 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2cccc(C)n2)C12CCOCC2 ZINC000186262419 270249671 /nfs/dbraw/zinc/24/96/71/270249671.db2.gz NRURQULYCBDRCV-HOTGVXAUSA-N 0 3 290.407 2.454 10 0 CEAEHN CCC(CC)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000193015706 270282751 /nfs/dbraw/zinc/28/27/51/270282751.db2.gz ZGHZHCQHSHTQSX-CYBMUJFWSA-N 0 3 257.422 2.451 10 0 CEAEHN CN(C)C[C@H](NC(=O)CCc1ccccn1)c1ccccc1 ZINC000194425214 270298981 /nfs/dbraw/zinc/29/89/81/270298981.db2.gz JBRDVNHNWNPCKZ-KRWDZBQOSA-N 0 3 297.402 2.433 10 0 CEAEHN CCOc1ccccc1OCCN1C[C@H](O)CC[C@@H]1C ZINC000399455737 270370095 /nfs/dbraw/zinc/37/00/95/270370095.db2.gz IDXUHKLZYHVWQD-UONOGXRCSA-N 0 3 279.380 2.309 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000262526118 287717423 /nfs/dbraw/zinc/71/74/23/287717423.db2.gz GMBIYAVHSHWBSY-JLUCKKNBSA-N 0 3 296.386 2.391 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000262578100 287717915 /nfs/dbraw/zinc/71/79/15/287717915.db2.gz PJEJSJLQACQGLT-CYDGBPFRSA-N 0 3 270.417 2.070 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)[C@H](C)C1 ZINC000113623072 287777221 /nfs/dbraw/zinc/77/72/21/287777221.db2.gz NGAYVMAQAZMBOF-MQYQWHSLSA-N 0 3 267.417 2.157 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000236806209 276284952 /nfs/dbraw/zinc/28/49/52/276284952.db2.gz DUCWJEPJWMEZGY-LBPRGKRZSA-N 0 3 250.317 2.232 10 0 CEAEHN CN1CCO[C@@H](CN[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000180500226 277119801 /nfs/dbraw/zinc/11/98/01/277119801.db2.gz JWHLPNNQOMCATB-GXTWGEPZSA-N 0 3 296.411 2.283 10 0 CEAEHN CN1CC[C@]2(CCN(C(=O)N[C@H]3CCc4ccccc43)C2)C1 ZINC000291575408 277184788 /nfs/dbraw/zinc/18/47/88/277184788.db2.gz DORSAOAXFVPEEA-WMZOPIPTSA-N 0 3 299.418 2.411 10 0 CEAEHN CC(C)[C@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261967667 277935693 /nfs/dbraw/zinc/93/56/93/277935693.db2.gz LJFOISPFNKYWDH-DZGCQCFKSA-N 0 3 282.428 2.025 10 0 CEAEHN C[C@@H](Cn1cccn1)N[C@H]1CCOc2ccccc21 ZINC000037155073 278301152 /nfs/dbraw/zinc/30/11/52/278301152.db2.gz FTFRQPOJHMGWHB-JSGCOSHPSA-N 0 3 257.337 2.385 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000263530543 279059698 /nfs/dbraw/zinc/05/96/98/279059698.db2.gz WGHHQDCKIIWHEA-APSKQVOWSA-N 0 3 282.428 2.338 10 0 CEAEHN N[C@H](CO)c1cc(Br)cc(Br)c1 ZINC000072199729 279684812 /nfs/dbraw/zinc/68/48/12/279684812.db2.gz BSESVAZJMMNEGU-MRVPVSSYSA-N 0 3 294.974 2.204 10 0 CEAEHN COCCN(C)CCCNC(=O)N[C@@H](C)c1cccs1 ZINC000193083532 280184817 /nfs/dbraw/zinc/18/48/17/280184817.db2.gz WEPNDUKBNYRVLU-LBPRGKRZSA-N 0 3 299.440 2.077 10 0 CEAEHN CCOC(=O)COCCN[C@H](C)c1cccc(C)c1 ZINC000233682762 280219934 /nfs/dbraw/zinc/21/99/34/280219934.db2.gz WGIPAXDXLRFLBA-CYBMUJFWSA-N 0 3 265.353 2.225 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C)N(C)C ZINC000245519216 280247283 /nfs/dbraw/zinc/24/72/83/280247283.db2.gz SDMQRKBHZSBHJA-JMSVASOKSA-N 0 3 270.417 2.037 10 0 CEAEHN CC[C@H](NC(=O)N(C)C[C@H]1CCCN1CC)[C@H]1CCCO1 ZINC000245860381 280262890 /nfs/dbraw/zinc/26/28/90/280262890.db2.gz DFDYNISRIADGGJ-QLFBSQMISA-N 0 3 297.443 2.070 10 0 CEAEHN O=C1NCCC[C@@H]1CN1CCSC2(CCCCC2)C1 ZINC000334519993 280286938 /nfs/dbraw/zinc/28/69/38/280286938.db2.gz UNLICLXKGUHRMG-CYBMUJFWSA-N 0 3 282.453 2.264 10 0 CEAEHN COc1cccc(OCCN2CCN3CCCC[C@H]3C2)c1 ZINC000246690251 280306430 /nfs/dbraw/zinc/30/64/30/280306430.db2.gz MGSMLAFSMRXJGH-HNNXBMFYSA-N 0 3 290.407 2.244 10 0 CEAEHN CC[C@H](C)CN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247334730 280326809 /nfs/dbraw/zinc/32/68/09/280326809.db2.gz NDOJEXHVMZZADA-BFHYXJOUSA-N 0 3 269.433 2.403 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1CC1=CCCOC1 ZINC000375850772 281186269 /nfs/dbraw/zinc/18/62/69/281186269.db2.gz SOVGTBCGNKGXBQ-JKSUJKDBSA-N 0 3 264.413 2.282 10 0 CEAEHN Cc1cccc2c1[C@H](C)C[C@H]2NC[C@H]1CN(C)CCO1 ZINC000246415252 281304933 /nfs/dbraw/zinc/30/49/33/281304933.db2.gz MTSDIFULPJNFBM-IJEWVQPXSA-N 0 3 274.408 2.464 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@H]1CCCS(=O)(=O)C1 ZINC000069135401 281383210 /nfs/dbraw/zinc/38/32/10/281383210.db2.gz PNTXQGLUOOEGLE-STQMWFEESA-N 0 3 267.394 2.223 10 0 CEAEHN CCOCCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCC1 ZINC000124035481 289052025 /nfs/dbraw/zinc/05/20/25/289052025.db2.gz JEZKWPJIVZVUMV-LSDHHAIUSA-N 0 3 296.455 2.428 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(OC)c2)CCN1CCOC ZINC000155094578 289164719 /nfs/dbraw/zinc/16/47/19/289164719.db2.gz NSAQHMVIKBQZQH-MRXNPFEDSA-N 0 3 292.423 2.238 10 0 CEAEHN CCc1cnccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000155284331 289170554 /nfs/dbraw/zinc/17/05/54/289170554.db2.gz UUUPZGKSJYTKRV-CQSZACIVSA-N 0 3 277.412 2.350 10 0 CEAEHN N[C@H](C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCOCC1 ZINC000261774248 295328565 /nfs/dbraw/zinc/32/85/65/295328565.db2.gz MMHQGCJJFHCNFE-XZDPQHSOSA-N 0 3 294.439 2.215 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000163102522 297458155 /nfs/dbraw/zinc/45/81/55/297458155.db2.gz JIFMEMQGYPKHIH-ZDUSSCGKSA-N 0 3 252.402 2.365 10 0 CEAEHN CCc1ccc(CC)c(NC(=O)[C@H]2C[C@@H](OC)CN2)c1 ZINC000517358779 297620366 /nfs/dbraw/zinc/62/03/66/297620366.db2.gz UPOMQBQBYFNHMM-UKRRQHHQSA-N 0 3 276.380 2.127 10 0 CEAEHN C[C@H](CNC(=O)[C@H]1CCCO[C@H]1C)N1CCC(C)CC1 ZINC000251257720 298761192 /nfs/dbraw/zinc/76/11/92/298761192.db2.gz YKDSZKQTUYGWLW-ILXRZTDVSA-N 0 3 282.428 2.038 10 0 CEAEHN Cc1ccccc1[C@@H](C)N1CCO[C@H](CN(C)C)C1 ZINC000130366402 302118721 /nfs/dbraw/zinc/11/87/21/302118721.db2.gz PBKYSHFWENECLL-HUUCEWRRSA-N 0 3 262.397 2.318 10 0 CEAEHN CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCN1 ZINC000175390551 312698538 /nfs/dbraw/zinc/69/85/38/312698538.db2.gz DREPPFAHMNGHPC-VXGBXAGGSA-N 0 3 294.345 2.279 10 0 CEAEHN Cc1c(CN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cnn1C ZINC000381101471 321832616 /nfs/dbraw/zinc/83/26/16/321832616.db2.gz ZPPBYEPIHPORCZ-MNOVXSKESA-N 0 3 296.415 2.120 10 0 CEAEHN CC(C)(C)NCc1ccnc(Cc2cccnc2)n1 ZINC000054792040 518765751 /nfs/dbraw/zinc/76/57/51/518765751.db2.gz PNQIRLGHIXNTHU-UHFFFAOYSA-N 0 3 256.353 2.351 10 0 CEAEHN CC(C)(C)NCc1nccn1CCc1ccccn1 ZINC000051015416 518769142 /nfs/dbraw/zinc/76/91/42/518769142.db2.gz IXLWIVMIZUZBLP-UHFFFAOYSA-N 0 3 258.369 2.409 10 0 CEAEHN CC(C)CNCc1occc1CN1CCO[C@@H](C)C1 ZINC000052382747 519749523 /nfs/dbraw/zinc/74/95/23/519749523.db2.gz AVPAFWYZZAVKOL-ZDUSSCGKSA-N 0 3 266.385 2.246 10 0 CEAEHN CCC1CCC(NS(=O)(=O)C[C@H]2CCCCN2)CC1 ZINC000049631393 519856751 /nfs/dbraw/zinc/85/67/51/519856751.db2.gz ANSBABYMFYCYRQ-JXQTWKCFSA-N 0 3 288.457 2.017 10 0 CEAEHN CCCNCc1ccoc1CN1CCSCC1 ZINC000052425533 519959682 /nfs/dbraw/zinc/95/96/82/519959682.db2.gz NLFVLXQZVVPBOA-UHFFFAOYSA-N 0 3 254.399 2.328 10 0 CEAEHN CCNCc1cc(CN2C[C@H](C)C[C@@H](C)C2)on1 ZINC000052420675 519991276 /nfs/dbraw/zinc/99/12/76/519991276.db2.gz OBYVVNIZZCULTQ-VXGBXAGGSA-N 0 3 251.374 2.262 10 0 CEAEHN CCCN[C@@](CN(CC)C(C)C)(C(=O)OC)C1CC1 ZINC000069097108 520050282 /nfs/dbraw/zinc/05/02/82/520050282.db2.gz LVPBDPWSCMYSJJ-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CC[NH2+][C@@H](CCN1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC000062530590 520089034 /nfs/dbraw/zinc/08/90/34/520089034.db2.gz BMKPUHYXHZKLLG-ZDUSSCGKSA-N 0 3 270.417 2.197 10 0 CEAEHN CCN[C@@](CN1CCC(C)CC1)(C(=O)OCC)C1CC1 ZINC000069092612 520152559 /nfs/dbraw/zinc/15/25/59/520152559.db2.gz KAKWUZDNWYYCRZ-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN[C@H](CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439114 520186767 /nfs/dbraw/zinc/18/67/67/520186767.db2.gz CAUUBOGHYJEWGV-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@H](CC[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439114 520186776 /nfs/dbraw/zinc/18/67/76/520186776.db2.gz CAUUBOGHYJEWGV-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCCN(CC)C[C@@](NCCC)(C(=O)OC)C1CC1 ZINC000069090145 520477510 /nfs/dbraw/zinc/47/75/10/520477510.db2.gz BIVVPHOBZXNDMW-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCC[C@H](C)N(C)C[C@](NCC)(C(=O)OC)C1CC1 ZINC000069100275 521037137 /nfs/dbraw/zinc/03/71/37/521037137.db2.gz NZJQMULQMKNXNK-SWLSCSKDSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCc1nc(N(C)C2CC2)sc1CNCCOC ZINC000054996415 521529404 /nfs/dbraw/zinc/52/94/04/521529404.db2.gz MXSOKTXKTADLJV-UHFFFAOYSA-N 0 3 283.441 2.430 10 0 CEAEHN COCC[C@H](N)C(=O)Nc1c2ncsc2ccc1Cl ZINC000052791889 521944388 /nfs/dbraw/zinc/94/43/88/521944388.db2.gz SYCSSTOSHVIYPA-QMMMGPOBSA-N 0 3 299.783 2.252 10 0 CEAEHN COCC[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000052792085 521945224 /nfs/dbraw/zinc/94/52/24/521945224.db2.gz XSQTVOPGVGNZSP-KBPBESRZSA-N 0 3 282.359 2.003 10 0 CEAEHN CNCc1cc(CN2CCO[C@H]3CCC[C@@H]32)oc1C ZINC000052540181 522109334 /nfs/dbraw/zinc/10/93/34/522109334.db2.gz VNDINRLTGOQVEH-GJZGRUSLSA-N 0 3 264.369 2.061 10 0 CEAEHN CNCc1cnc(OC2CCOCC2)c(Cl)c1 ZINC000051522274 522149944 /nfs/dbraw/zinc/14/99/44/522149944.db2.gz RJALAEJKLYLFON-UHFFFAOYSA-N 0 3 256.733 2.012 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000052395608 522438743 /nfs/dbraw/zinc/43/87/43/522438743.db2.gz KTNCFNPSXNQULR-MRVPVSSYSA-N 0 3 271.158 2.304 10 0 CEAEHN CC(C)C[C@@H]1CSC(N[C@@H](C)Cn2ccnc2)=N1 ZINC000049236456 519276758 /nfs/dbraw/zinc/27/67/58/519276758.db2.gz XKKDHVLQMVYBJN-NWDGAFQWSA-N 0 3 266.414 2.379 10 0 CEAEHN CC(C)CCC[C@@H](C)NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631408 519645552 /nfs/dbraw/zinc/64/55/52/519645552.db2.gz ZAKXJVALUPTTMR-KGLIPLIRSA-N 0 3 290.473 2.263 10 0 CEAEHN CC(C)CN(CCN(C)C)C(=O)c1ccc2c[nH]nc2c1 ZINC000061670435 519716441 /nfs/dbraw/zinc/71/64/41/519716441.db2.gz FRCMOKXCXZVLSZ-UHFFFAOYSA-N 0 3 288.395 2.223 10 0 CEAEHN CC(C)NCC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000049500080 519719891 /nfs/dbraw/zinc/71/98/91/519719891.db2.gz YVCXYSKDDIURNF-UHFFFAOYSA-N 0 3 255.387 2.377 10 0 CEAEHN CC(C)CN1CCN(c2ccc(C(N)=S)cc2)CC1 ZINC000055080672 519728342 /nfs/dbraw/zinc/72/83/42/519728342.db2.gz CPCWSDBPSDIHLK-UHFFFAOYSA-N 0 3 277.437 2.099 10 0 CEAEHN CC(C)C[NH2+]Cc1nc2cc(Br)cnc2[n-]1 ZINC000062742485 519748698 /nfs/dbraw/zinc/74/86/98/519748698.db2.gz UVVYWIZEUXXYRT-UHFFFAOYSA-N 0 3 283.173 2.466 10 0 CEAEHN CC(C)[C@H](NC[C@@H]1CN(C)CCN1C)c1cccs1 ZINC000068802616 519820884 /nfs/dbraw/zinc/82/08/84/519820884.db2.gz BNADLJDSOZRPGB-HIFRSBDPSA-N 0 3 281.469 2.281 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)NC ZINC000062746477 519893623 /nfs/dbraw/zinc/89/36/23/519893623.db2.gz HDKRVPSTJIFSEV-QWRGUYRKSA-N 0 3 282.359 2.400 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000061293515 519906692 /nfs/dbraw/zinc/90/66/92/519906692.db2.gz QBRJXTVYICMDBR-UHFFFAOYSA-N 0 3 286.379 2.258 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000061290709 519906892 /nfs/dbraw/zinc/90/68/92/519906892.db2.gz PVIDLXGCRBBGRZ-UHFFFAOYSA-N 0 3 289.379 2.140 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(NC(=O)OC)cc1 ZINC000061292868 519907521 /nfs/dbraw/zinc/90/75/21/519907521.db2.gz JIZXCDRDTCGSCG-UHFFFAOYSA-N 0 3 279.340 2.192 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1-c1n[nH]c(C)n1 ZINC000061291516 519908333 /nfs/dbraw/zinc/90/83/33/519908333.db2.gz WXWPNFWGWWBGTJ-UHFFFAOYSA-N 0 3 287.367 2.107 10 0 CEAEHN CCCNCc1ccc(CN(CCOC)[C@@H](C)COC)o1 ZINC000052572330 519946908 /nfs/dbraw/zinc/94/69/08/519946908.db2.gz DJMRWFNYUNLEFF-AWEZNQCLSA-N 0 3 298.427 2.263 10 0 CEAEHN CC(C)n1cc(NC(=O)[C@@H](CN)Cc2ccccc2)cn1 ZINC000061683342 519963831 /nfs/dbraw/zinc/96/38/31/519963831.db2.gz ZQZICZHDHFINJP-CQSZACIVSA-N 0 3 286.379 2.220 10 0 CEAEHN CCNCc1c(C)cc(C)nc1OCCOCC ZINC000051524264 519983109 /nfs/dbraw/zinc/98/31/09/519983109.db2.gz OSDIZJPNOSPVDO-UHFFFAOYSA-N 0 3 252.358 2.223 10 0 CEAEHN CCCN[C@@H]1COc2cc(OC[C@H](O)CC)ccc21 ZINC000062805117 520027523 /nfs/dbraw/zinc/02/75/23/520027523.db2.gz VHZOSWDHGJIHCZ-BXUZGUMPSA-N 0 3 265.353 2.269 10 0 CEAEHN CCCN[C@@](C)(CSCc1cccc(C)c1)C(N)=O ZINC000054966384 520038409 /nfs/dbraw/zinc/03/84/09/520038409.db2.gz RPAIPRYPXVKEKR-HNNXBMFYSA-N 0 3 280.437 2.472 10 0 CEAEHN CCN[C@@H](C)c1cc(C)ccc1OC[C@H](O)COC ZINC000069053636 520074114 /nfs/dbraw/zinc/07/41/14/520074114.db2.gz LZLOQRWBQKQFPL-QWHCGFSZSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2CCN(C3CC3)CC2)s1 ZINC000054909512 520079421 /nfs/dbraw/zinc/07/94/21/520079421.db2.gz ZEALKKLZJORNBP-NSHDSACASA-N 0 3 280.441 2.098 10 0 CEAEHN CCN[C@@H](C)c1cnc(Cc2ccccn2)nc1C ZINC000054962992 520079614 /nfs/dbraw/zinc/07/96/14/520079614.db2.gz CIQIRCCQFDEMOB-NSHDSACASA-N 0 3 256.353 2.441 10 0 CEAEHN CCCN[C@H](CSc1ccc(Cl)cc1)C(N)=O ZINC000045555082 520087038 /nfs/dbraw/zinc/08/70/38/520087038.db2.gz IIZAWZMKXDYYTC-LLVKDONJSA-N 0 3 272.801 2.286 10 0 CEAEHN CCOC[C@@H](O)CN(Cc1ccsc1)C1CC1 ZINC000069276900 520095204 /nfs/dbraw/zinc/09/52/04/520095204.db2.gz AASQIZLPACGJDO-ZDUSSCGKSA-N 0 3 255.383 2.110 10 0 CEAEHN CCCN[C@H]1c2ccc(OC)cc2CC[C@H]1S(C)(=O)=O ZINC000054930623 520097586 /nfs/dbraw/zinc/09/75/86/520097586.db2.gz YJJFKQZWRJAIOF-CABCVRRESA-N 0 3 297.420 2.095 10 0 CEAEHN CCN[C@@H](Cc1ccccc1OC)c1cncnc1 ZINC000052887289 520106493 /nfs/dbraw/zinc/10/64/93/520106493.db2.gz IIMWLBHFHXLIQL-AWEZNQCLSA-N 0 3 257.337 2.379 10 0 CEAEHN CCN[C@@H](Cn1ncccc1=O)c1ccc(CC)cc1 ZINC000061402159 520108343 /nfs/dbraw/zinc/10/83/43/520108343.db2.gz YAIAPDXMSXQDSZ-HNNXBMFYSA-N 0 3 271.364 2.157 10 0 CEAEHN CCN[C@@H](Cc1nc(C)cs1)c1cnn(C)c1 ZINC000055268880 520108458 /nfs/dbraw/zinc/10/84/58/520108458.db2.gz NBTQEIGFXSAIQO-NSHDSACASA-N 0 3 250.371 2.078 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CC(C)(C)O2)[C@H]1COCCO1 ZINC000055301515 520111945 /nfs/dbraw/zinc/11/19/45/520111945.db2.gz OPMFLBQWMZTBBL-CVEARBPZSA-N 0 3 291.391 2.466 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3noc(CC)n3)ccc21 ZINC000062804602 520124517 /nfs/dbraw/zinc/12/45/17/520124517.db2.gz UNKHBCQKOLTDAG-GFCCVEGCSA-N 0 3 289.335 2.254 10 0 CEAEHN CCCNc1cc(C)nc(CCN(CC)CC)n1 ZINC000050849014 520136317 /nfs/dbraw/zinc/13/63/17/520136317.db2.gz CFGUSTGXWNEUQP-UHFFFAOYSA-N 0 3 250.390 2.491 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)N(CC)c1cccc(C)c1)C(N)=O ZINC000068627767 520139265 /nfs/dbraw/zinc/13/92/65/520139265.db2.gz HTCNZISJEBXXMW-PBHICJAKSA-N 0 3 291.439 2.453 10 0 CEAEHN CCN[C@@](CN(CC)c1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069231310 520152696 /nfs/dbraw/zinc/15/26/96/520152696.db2.gz XRPPLUUFSSPKQA-QGZVFWFLSA-N 0 3 289.423 2.065 10 0 CEAEHN CCN[C@@](CSc1ccc(OC)cc1)(C(N)=O)C1CC1 ZINC000069186985 520157910 /nfs/dbraw/zinc/15/79/10/520157910.db2.gz TXSMBBKYKODPNF-OAHLLOKOSA-N 0 3 294.420 2.031 10 0 CEAEHN CCN[C@H](Cc1ccc(OC)c(OC)c1)c1nccn1C ZINC000069473578 520202957 /nfs/dbraw/zinc/20/29/57/520202957.db2.gz JOSSTVSWRCBRGZ-CYBMUJFWSA-N 0 3 289.379 2.331 10 0 CEAEHN CCN[C@H]1COc2cc(OCCCOC)ccc21 ZINC000062804950 520220773 /nfs/dbraw/zinc/22/07/73/520220773.db2.gz AZLGBOZSLNWBHH-ZDUSSCGKSA-N 0 3 251.326 2.145 10 0 CEAEHN CCN[C@](COc1cc(C)cc(C)c1C)(C(N)=O)C1CC1 ZINC000069197887 520251608 /nfs/dbraw/zinc/25/16/08/520251608.db2.gz KWXAIPUOGCZEDK-KRWDZBQOSA-N 0 3 290.407 2.234 10 0 CEAEHN CCNc1ccc(C(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000050777719 520294223 /nfs/dbraw/zinc/29/42/23/520294223.db2.gz SKUMXJJBVCTWDT-HNNXBMFYSA-N 0 3 275.396 2.333 10 0 CEAEHN CCNc1ncccc1CN1CCN([C@H](C)CC)CC1 ZINC000055071213 520378173 /nfs/dbraw/zinc/37/81/73/520378173.db2.gz ALCOUXGEDHEMQE-CQSZACIVSA-N 0 3 276.428 2.430 10 0 CEAEHN CCCOc1ccc([C@@H]2[C@H](N)CC(=O)N2CC)cc1 ZINC000062209081 520424061 /nfs/dbraw/zinc/42/40/61/520424061.db2.gz ZNEWTKQZUOXSGT-UKRRQHHQSA-N 0 3 262.353 2.096 10 0 CEAEHN CCCOc1cccc([C@@H](CN)N(CC)CCOC)c1 ZINC000052921140 520465519 /nfs/dbraw/zinc/46/55/19/520465519.db2.gz BEKVFZJOBCYCMS-MRXNPFEDSA-N 0 3 280.412 2.444 10 0 CEAEHN CC1(C)CN(c2ccc(Cl)cc2CN)CCO1 ZINC000052856918 520493953 /nfs/dbraw/zinc/49/39/53/520493953.db2.gz KPFDTKZTRQUYMZ-UHFFFAOYSA-N 0 3 254.761 2.414 10 0 CEAEHN CC1(C)CSC(NC[C@H]2Cc3ccccc3O2)=N1 ZINC000051087012 520515424 /nfs/dbraw/zinc/51/54/24/520515424.db2.gz YIRQCALDRKBFAY-LLVKDONJSA-N 0 3 262.378 2.461 10 0 CEAEHN CCN(CC)C(=O)[C@@H](CN)Cc1ccc2ncccc2c1 ZINC000069500535 520521818 /nfs/dbraw/zinc/52/18/18/520521818.db2.gz YPDADIJOQWNFEQ-OAHLLOKOSA-N 0 3 285.391 2.221 10 0 CEAEHN CCCS(=O)(=O)NC[C@@H](CC(C)C)N1CCCCC1 ZINC000049737331 520532384 /nfs/dbraw/zinc/53/23/84/520532384.db2.gz CJNRBMZJTPEBAY-CQSZACIVSA-N 0 3 290.473 2.216 10 0 CEAEHN CCCCNC(=O)[C@H](C)N[C@H]1CCc2ccccc2C1 ZINC000052396226 520669284 /nfs/dbraw/zinc/66/92/84/520669284.db2.gz VVLOFFZYZLJKPK-BBRMVZONSA-N 0 3 274.408 2.438 10 0 CEAEHN CCOC(=O)C[C@@]1(N2CCOCC2)CCC[C@H](C)[C@@H]1C ZINC000068633928 520860395 /nfs/dbraw/zinc/86/03/95/520860395.db2.gz JYBHYDMZCQJDOH-DZKIICNBSA-N 0 3 283.412 2.467 10 0 CEAEHN CCN(CC)c1nc(C)cc(CNCC(C)C)n1 ZINC000054832312 520924986 /nfs/dbraw/zinc/92/49/86/520924986.db2.gz AHVIUQKHAHFPJN-UHFFFAOYSA-N 0 3 250.390 2.377 10 0 CEAEHN CCN(CC1CC1)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000069239448 520956975 /nfs/dbraw/zinc/95/69/75/520956975.db2.gz AOIMNAYNAABRFJ-KRWDZBQOSA-N 0 3 290.407 2.006 10 0 CEAEHN CCOc1ccc([C@@](C)(N)COC)cc1OCC ZINC000055198918 521251081 /nfs/dbraw/zinc/25/10/81/521251081.db2.gz RKAGQZRSOPFMAH-AWEZNQCLSA-N 0 3 253.342 2.304 10 0 CEAEHN CCOC(=O)[C@](CN1CCC(C)(CC)CC1)(NC)C1CC1 ZINC000069232522 521340203 /nfs/dbraw/zinc/34/02/03/521340203.db2.gz NUISHCRFWOIEFZ-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCOC(=O)[C@](CN1CCC(C)CC1)(NC1CC1)C1CC1 ZINC000069092557 521341063 /nfs/dbraw/zinc/34/10/63/521341063.db2.gz KHYFGCJGFCTQRT-QGZVFWFLSA-N 0 3 294.439 2.182 10 0 CEAEHN CCOc1cccc(NC(=O)c2ccnc(NN)c2)c1 ZINC000051117886 521398479 /nfs/dbraw/zinc/39/84/79/521398479.db2.gz CIRSLWDWCDQKSO-UHFFFAOYSA-N 0 3 272.308 2.018 10 0 CEAEHN CCOc1cccc(NC(=O)c2cc[nH]c(=NN)c2)c1 ZINC000051117886 521398483 /nfs/dbraw/zinc/39/84/83/521398483.db2.gz CIRSLWDWCDQKSO-UHFFFAOYSA-N 0 3 272.308 2.018 10 0 CEAEHN CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@H](C)NC ZINC000052395749 521404084 /nfs/dbraw/zinc/40/40/84/521404084.db2.gz RFEVZTVZJSRVFH-QMMMGPOBSA-N 0 3 296.392 2.349 10 0 CEAEHN CCCc1ccc([C@@H](N)Cn2nc(C)ccc2=O)cc1 ZINC000061810417 521414832 /nfs/dbraw/zinc/41/48/32/521414832.db2.gz WQLCATVHVCLYQJ-HNNXBMFYSA-N 0 3 271.364 2.204 10 0 CEAEHN CCN(Cc1csc(CNC(C)C)n1)[C@@H](C)COC ZINC000052504653 521443053 /nfs/dbraw/zinc/44/30/53/521443053.db2.gz RCZCUQRSUGKECX-LBPRGKRZSA-N 0 3 285.457 2.498 10 0 CEAEHN CCOc1ccccc1C(=O)CN1CCC[C@H]1CN(C)C ZINC000061645784 521449537 /nfs/dbraw/zinc/44/95/37/521449537.db2.gz ORVJYHRJVHFIAR-AWEZNQCLSA-N 0 3 290.407 2.294 10 0 CEAEHN CCN1C(=O)C[C@H](N)[C@H]1c1ccc2cc(OC)ccc2c1 ZINC000070293249 521524022 /nfs/dbraw/zinc/52/40/22/521524022.db2.gz ZPIANXKCTWTKEC-DOTOQJQBSA-N 0 3 284.359 2.469 10 0 CEAEHN CCCc1nc(N(C)[C@@H](C)COC)sc1CN ZINC000054998795 521529020 /nfs/dbraw/zinc/52/90/20/521529020.db2.gz LJSJRJFXXDAKCR-VIFPVBQESA-N 0 3 257.403 2.025 10 0 CEAEHN CCCN(CC)c1nc2sccn2c1CNCCOC ZINC000062735244 521618552 /nfs/dbraw/zinc/61/85/52/521618552.db2.gz RPKYVGHEBFLGAW-UHFFFAOYSA-N 0 3 296.440 2.368 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@@H](N)CCOC ZINC000052808145 521777804 /nfs/dbraw/zinc/77/78/04/521777804.db2.gz UWSAXUZVSFYSLX-JTQLQIEISA-N 0 3 268.382 2.101 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CC(=O)c1c[nH]c2ccccc12 ZINC000061645620 521835739 /nfs/dbraw/zinc/83/57/39/521835739.db2.gz RUTGJJCOOVGWCL-ZDUSSCGKSA-N 0 3 285.391 2.377 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CC(=O)c1ccc2c(c1)CCC2 ZINC000061645672 521835945 /nfs/dbraw/zinc/83/59/45/521835945.db2.gz VSWGSOHJFGNQIE-KRWDZBQOSA-N 0 3 286.419 2.384 10 0 CEAEHN COC(=O)c1cc(CN[C@@H](CN(C)C)C(C)C)oc1C ZINC000049198837 521860288 /nfs/dbraw/zinc/86/02/88/521860288.db2.gz UCZHSSIYIWICOR-AWEZNQCLSA-N 0 3 282.384 2.050 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1ccc(C=O)cc1F ZINC000061644948 521874442 /nfs/dbraw/zinc/87/44/42/521874442.db2.gz LOPZYBVVWFBDDY-GFCCVEGCSA-N 0 3 250.317 2.169 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc(Br)c1 ZINC000061300198 521942794 /nfs/dbraw/zinc/94/27/94/521942794.db2.gz SOQNFRMTIXWEPC-UHFFFAOYSA-N 0 3 271.158 2.386 10 0 CEAEHN COCC[C@H](N)c1nc(-c2ccc(OC)cc2OC)c[nH]1 ZINC000052811295 521951511 /nfs/dbraw/zinc/95/15/11/521951511.db2.gz VPPLVQYJBZTJBO-LBPRGKRZSA-N 0 3 291.351 2.130 10 0 CEAEHN CC[C@@H](C)CN(C)Cc1nc(NN)ccc1Cl ZINC000061639097 521969994 /nfs/dbraw/zinc/96/99/94/521969994.db2.gz LCTSUGSTPXLUEG-SECBINFHSA-N 0 3 256.781 2.499 10 0 CEAEHN COCCc1ccc(OCc2cccnc2C(=N)N)cc1 ZINC000061658763 522013359 /nfs/dbraw/zinc/01/33/59/522013359.db2.gz QHQLKBMICMFIHO-UHFFFAOYSA-N 0 3 285.347 2.134 10 0 CEAEHN CC[C@@H](C)N1CCN(CC(CC)(CC)CO)CC1 ZINC000055072896 522118061 /nfs/dbraw/zinc/11/80/61/522118061.db2.gz FPWKQUNHBZDLHO-CQSZACIVSA-N 0 3 256.434 2.201 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ncc([C@H](C)NC)s2)CC1 ZINC000055076255 522137921 /nfs/dbraw/zinc/13/79/21/522137921.db2.gz DMJKGVVQEPUVJV-NEPJUHHUSA-N 0 3 282.457 2.344 10 0 CEAEHN COC(=O)c1ccccc1CN[C@H](C)CN1CCCC1 ZINC000049150717 522265299 /nfs/dbraw/zinc/26/52/99/522265299.db2.gz WLSOVOVZTJQEOP-CYBMUJFWSA-N 0 3 276.380 2.047 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1ccc(OC)c(F)c1)C(F)(F)F ZINC000062784659 522342829 /nfs/dbraw/zinc/34/28/29/522342829.db2.gz HDZCWOABXGQJPY-QWRGUYRKSA-N 0 3 281.249 2.322 10 0 CEAEHN CN[C@@H](c1cncnc1)c1ccc2ncccc2c1 ZINC000062802217 522373988 /nfs/dbraw/zinc/37/39/88/522373988.db2.gz XLCPALYERNEFNX-OAHLLOKOSA-N 0 3 250.305 2.334 10 0 CEAEHN CCc1nc(N2CC[C@@H](C)C2)sc1CNCCOC ZINC000054998464 522387773 /nfs/dbraw/zinc/38/77/73/522387773.db2.gz XSSMUBVVMODKJD-LLVKDONJSA-N 0 3 283.441 2.288 10 0 CEAEHN CN[C@@H]1CCCc2nc(Cc3csc(C)n3)ncc21 ZINC000055296596 522390669 /nfs/dbraw/zinc/39/06/69/522390669.db2.gz BXXWNZTUJZMGQH-GFCCVEGCSA-N 0 3 274.393 2.429 10 0 CEAEHN CN[C@@H]1COc2cc(O[C@@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000062804385 522401323 /nfs/dbraw/zinc/40/13/23/522401323.db2.gz ZMDXOQDSPPVBLK-GXFFZTMASA-N 0 3 292.379 2.022 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1nccn1C ZINC000062746253 522446664 /nfs/dbraw/zinc/44/66/64/522446664.db2.gz KSJOPXAPTDOEQW-SNVBAGLBSA-N 0 3 263.316 2.419 10 0 CEAEHN CN[C@H]1COc2cc(OC[C@H](O)c3ccccc3)ccc21 ZINC000062804276 522507831 /nfs/dbraw/zinc/50/78/31/522507831.db2.gz WKKFXWKDFWKXSP-HOTGVXAUSA-N 0 3 285.343 2.452 10 0 CEAEHN CN[C@](COc1ccc2ccccc2c1)(C(N)=O)C1CC1 ZINC000069197783 522529937 /nfs/dbraw/zinc/52/99/37/522529937.db2.gz KMQCSIMPKFDNFM-KRWDZBQOSA-N 0 3 284.359 2.072 10 0 CEAEHN CN[C@](COc1ccc(C(C)(C)C)cc1)(C(N)=O)C1CC1 ZINC000069197223 522530677 /nfs/dbraw/zinc/53/06/77/522530677.db2.gz JSRHTLLOUWSNDB-KRWDZBQOSA-N 0 3 290.407 2.216 10 0 CEAEHN COC[C@H](C)N(C)Cc1ccoc1CNC(C)C ZINC000052511568 522594660 /nfs/dbraw/zinc/59/46/60/522594660.db2.gz WEVJOIAHGLOITN-LBPRGKRZSA-N 0 3 254.374 2.244 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000053003988 522606758 /nfs/dbraw/zinc/60/67/58/522606758.db2.gz ZOLZSNFYXOFKKU-LBPRGKRZSA-N 0 3 273.380 2.003 10 0 CEAEHN CC[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1=O)C(C)C ZINC000049128569 522921387 /nfs/dbraw/zinc/92/13/87/522921387.db2.gz RNWOHMWKNJKKLV-ZIAGYGMSSA-N 0 3 274.364 2.343 10 0 CEAEHN CC[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069142857 522925600 /nfs/dbraw/zinc/92/56/00/522925600.db2.gz DGLJJPDNOZUNOM-ZIAGYGMSSA-N 0 3 285.384 2.444 10 0 CEAEHN CN(C[C@@H]1CCCCO1)[C@@H]1CNCc2ccccc21 ZINC000069266174 523035491 /nfs/dbraw/zinc/03/54/91/523035491.db2.gz VLLQMFQVSNYWDY-GOEBONIOSA-N 0 3 260.381 2.332 10 0 CEAEHN COC(=O)CCOc1ccc2ccccc2c1CN ZINC000069317231 523107796 /nfs/dbraw/zinc/10/77/96/523107796.db2.gz IRGDDJOBDXKXLR-UHFFFAOYSA-N 0 3 259.305 2.240 10 0 CEAEHN CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(CN)c2)C1 ZINC000068602181 523281915 /nfs/dbraw/zinc/28/19/15/523281915.db2.gz GJJHVYPHPCSICF-TZMCWYRMSA-N 0 3 296.436 2.392 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1Cc1nc(NN)ccc1Cl ZINC000061638562 523345911 /nfs/dbraw/zinc/34/59/11/523345911.db2.gz JBHFJOIZMIDCKR-UWVGGRQHSA-N 0 3 284.791 2.020 10 0 CEAEHN CCn1cc(C[C@@H](N)c2ccc(F)cc2F)cn1 ZINC000062774242 523394030 /nfs/dbraw/zinc/39/40/30/523394030.db2.gz UEOIFCUSHZPSJR-CYBMUJFWSA-N 0 3 251.280 2.424 10 0 CEAEHN CCn1cc([C@@H](Cc2nc(C)cs2)NC)cn1 ZINC000055268335 523464695 /nfs/dbraw/zinc/46/46/95/523464695.db2.gz HWZWZFFCWVISBK-LLVKDONJSA-N 0 3 250.371 2.171 10 0 CEAEHN CCn1cc([C@H](N)c2ccc3ncccc3c2)cn1 ZINC000062802098 523479800 /nfs/dbraw/zinc/47/98/00/523479800.db2.gz QMPGDFQTPRGABU-OAHLLOKOSA-N 0 3 252.321 2.499 10 0 CEAEHN CC[C@@H]1COCCN1c1nc2c(s1)[C@H](N)CCC2 ZINC000054896009 523503566 /nfs/dbraw/zinc/50/35/66/523503566.db2.gz XBAHSSPGVHDRCF-NXEZZACHSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1c1ccccc1CNCCOC ZINC000062736913 523519477 /nfs/dbraw/zinc/51/94/77/523519477.db2.gz NELZEVQCTAYROB-GDBMZVCRSA-N 0 3 292.423 2.426 10 0 CEAEHN COCCN(C)c1nc2c(s1)[C@@H](N)CC(C)(C)C2 ZINC000054898338 523639548 /nfs/dbraw/zinc/63/95/48/523639548.db2.gz CLOZAPYYBAYRFH-VIFPVBQESA-N 0 3 269.414 2.198 10 0 CEAEHN CN(c1nc2c(s1)[C@@H](O)CCC2)C1CCN(C)CC1 ZINC000054910219 523665081 /nfs/dbraw/zinc/66/50/81/523665081.db2.gz OGXIQGLSEDLCEP-LBPRGKRZSA-N 0 3 281.425 2.043 10 0 CEAEHN CN1C(=O)CCC[C@H](N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000070292091 523682831 /nfs/dbraw/zinc/68/28/31/523682831.db2.gz REBLOPLLJYKYDA-GXFFZTMASA-N 0 3 272.270 2.115 10 0 CEAEHN CN1CCC(Oc2cccc(Br)n2)CC1 ZINC000069017211 523782876 /nfs/dbraw/zinc/78/28/76/523782876.db2.gz GWVHDSRCAMAHSM-UHFFFAOYSA-N 0 3 271.158 2.317 10 0 CEAEHN COC(=O)[C@@](C)(CN1CCCC(C)(C)C1)NC(C)C ZINC000069516830 523815581 /nfs/dbraw/zinc/81/55/81/523815581.db2.gz QIZADSYJCLAWNO-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CN1CCC[C@@H](Nc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788160 523817092 /nfs/dbraw/zinc/81/70/92/523817092.db2.gz OJRKOJVHKAFDDV-SNVBAGLBSA-N 0 3 283.828 2.480 10 0 CEAEHN COC(=O)[C@@](CN1CCCC(C)(C)C1)(NC(C)C)C1CC1 ZINC000069516903 523823510 /nfs/dbraw/zinc/82/35/10/523823510.db2.gz HPBFKCAIDGPSNR-KRWDZBQOSA-N 0 3 296.455 2.428 10 0 CEAEHN CCc1ccc(C(=O)CN2CCC[C@H]2CN(C)C)cc1 ZINC000061645711 523879396 /nfs/dbraw/zinc/87/93/96/523879396.db2.gz CBBJKNYWMQXQKT-INIZCTEOSA-N 0 3 274.408 2.458 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1ccnc(NC)c1 ZINC000052729280 523938781 /nfs/dbraw/zinc/93/87/81/523938781.db2.gz RNCQOKSLSKORAK-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN COCCNCc1c(C)nc(N2CCCCCC2)nc1C ZINC000054854590 523946063 /nfs/dbraw/zinc/94/60/63/523946063.db2.gz NCUCWWNYOZOPEJ-UHFFFAOYSA-N 0 3 292.427 2.210 10 0 CEAEHN COCCNCc1cc(F)ccc1-n1ccnc1C ZINC000062738608 523950143 /nfs/dbraw/zinc/95/01/43/523950143.db2.gz VGPIWJPXZZYXGH-UHFFFAOYSA-N 0 3 263.316 2.056 10 0 CEAEHN COCCNCc1ccc(-n2nnc3ccccc32)cc1 ZINC000062738637 523951296 /nfs/dbraw/zinc/95/12/96/523951296.db2.gz RBFQWTZBCNKCCR-UHFFFAOYSA-N 0 3 282.347 2.157 10 0 CEAEHN COCCNCc1ccc(OC)c(OCC(F)(F)F)c1 ZINC000062732589 523951712 /nfs/dbraw/zinc/95/17/12/523951712.db2.gz LTBYNAHTUDKIEY-UHFFFAOYSA-N 0 3 293.285 2.372 10 0 CEAEHN COCCNCc1ccccc1-n1nnc2ccccc21 ZINC000062738640 523954775 /nfs/dbraw/zinc/95/47/75/523954775.db2.gz MHEIIWBLGNUWOR-UHFFFAOYSA-N 0 3 282.347 2.157 10 0 CEAEHN COCCNCc1ccccc1N1C[C@@H](C)OC(C)(C)C1 ZINC000062738010 523956064 /nfs/dbraw/zinc/95/60/64/523956064.db2.gz NNMNQXYXAYYKIS-CQSZACIVSA-N 0 3 292.423 2.426 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2ccc(C(N)=S)cc2)CC1 ZINC000055066687 523956303 /nfs/dbraw/zinc/95/63/03/523956303.db2.gz JGAWNWIFCDBMON-ZDUSSCGKSA-N 0 3 291.464 2.237 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2ccnc(NC)c2)CC1 ZINC000055071269 523957030 /nfs/dbraw/zinc/95/70/30/523957030.db2.gz ULEZFSUXXUFZGZ-ZDUSSCGKSA-N 0 3 262.401 2.039 10 0 CEAEHN CN(C(=O)c1c[nH]c(=NN)c(Cl)c1)C1CCCCC1 ZINC000051096149 523958322 /nfs/dbraw/zinc/95/83/22/523958322.db2.gz DFUHWEFIRBKEIH-UHFFFAOYSA-N 0 3 282.775 2.425 10 0 CEAEHN COC(=O)[C@](CN1CCC(C)CC1)(NC(C)C)C1CC1 ZINC000069092599 524004827 /nfs/dbraw/zinc/00/48/27/524004827.db2.gz RKCYCBWNIQPLLQ-MRXNPFEDSA-N 0 3 282.428 2.038 10 0 CEAEHN CN1c2ccc([C@H](N)[C@@H]3CCCCO3)cc2CCC1=O ZINC000062806387 524033060 /nfs/dbraw/zinc/03/30/60/524033060.db2.gz CGOYSVUSKPCIML-HOCLYGCPSA-N 0 3 274.364 2.165 10 0 CEAEHN CNC(=O)CCCOc1cc(OC)ccc1CNC(C)C ZINC000068816573 524065324 /nfs/dbraw/zinc/06/53/24/524065324.db2.gz DRHVFRBGOQTTAT-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN CNC(=O)[C@H](C)Oc1c(CNC(C)(C)C)cccc1OC ZINC000062732209 524099419 /nfs/dbraw/zinc/09/94/19/524099419.db2.gz RWTDYPCMKMNELF-NSHDSACASA-N 0 3 294.395 2.097 10 0 CEAEHN CNC(=O)[C@H](CC(C)C)NCc1ccc(F)cc1C ZINC000050576381 524101667 /nfs/dbraw/zinc/10/16/67/524101667.db2.gz HYPDNSOUPVPLKD-AWEZNQCLSA-N 0 3 266.360 2.384 10 0 CEAEHN C[C@H]1CCC[C@@H](NC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000061611218 524150062 /nfs/dbraw/zinc/15/00/62/524150062.db2.gz MIKCHPBOHAIHCC-CFVMTHIKSA-N 0 3 260.381 2.424 10 0 CEAEHN Cc1cccc(C)c1NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049630881 524303514 /nfs/dbraw/zinc/30/35/14/524303514.db2.gz PMDJXHHTNPCKEY-CYBMUJFWSA-N 0 3 282.409 2.187 10 0 CEAEHN C[C@H](CN1CCCC1)N[C@H](c1ccco1)c1nccn1C ZINC000049150910 524319008 /nfs/dbraw/zinc/31/90/08/524319008.db2.gz DEDBYCSVBNGOMI-UKRRQHHQSA-N 0 3 288.395 2.176 10 0 CEAEHN C[C@@H]1CCC[C@H](C(=O)NCc2ccc(F)c(F)c2)N1 ZINC000049575592 524347869 /nfs/dbraw/zinc/34/78/69/524347869.db2.gz NLPLQJZFXPSGSP-NOZJJQNGSA-N 0 3 268.307 2.112 10 0 CEAEHN C[C@@H](CN1CCCC1)N1C(=S)N=NC1c1cccnc1 ZINC000049184527 524595810 /nfs/dbraw/zinc/59/58/10/524595810.db2.gz WBIZSVHVDSJEIH-NSHDSACASA-N 0 3 289.408 2.286 10 0 CEAEHN Cc1cc(C)nc(SCc2cccnc2C(=N)N)n1 ZINC000061659038 524602403 /nfs/dbraw/zinc/60/24/03/524602403.db2.gz YHSXAYVBADUJKA-UHFFFAOYSA-N 0 3 273.365 2.065 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cccc(OC(F)F)c1 ZINC000069133106 524699423 /nfs/dbraw/zinc/69/94/23/524699423.db2.gz FDVBUDFVLORKKT-UWVGGRQHSA-N 0 3 284.306 2.110 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc(OC(F)F)cc1 ZINC000069132681 524699940 /nfs/dbraw/zinc/69/99/40/524699940.db2.gz SAVBDVSODWKIKH-UWVGGRQHSA-N 0 3 284.306 2.110 10 0 CEAEHN C[C@H]1COCCN1c1nc(C(C)(C)C)c(CN)s1 ZINC000054997315 524724196 /nfs/dbraw/zinc/72/41/96/524724196.db2.gz MIGBMYVAEYNWNV-VIFPVBQESA-N 0 3 269.414 2.124 10 0 CEAEHN COc1ccccc1[C@@H](O)CN1CCN(CC(C)C)CC1 ZINC000055081001 524741256 /nfs/dbraw/zinc/74/12/56/524741256.db2.gz PFWUDGKMMKYMIZ-INIZCTEOSA-N 0 3 292.423 2.002 10 0 CEAEHN Cc1ccc(F)c(C(=O)N[C@@H](C)CN2CCCC2)c1 ZINC000053009598 524793890 /nfs/dbraw/zinc/79/38/90/524793890.db2.gz XJXINSSUYDWHMZ-LBPRGKRZSA-N 0 3 264.344 2.348 10 0 CEAEHN Cc1ccc(F)cc1NC(=O)c1ccnc(NN)c1 ZINC000051096692 524867879 /nfs/dbraw/zinc/86/78/79/524867879.db2.gz CSORUXBGMIXTID-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN Cc1ccc(F)cc1NC(=O)c1cc[nH]c(=NN)c1 ZINC000051096692 524867891 /nfs/dbraw/zinc/86/78/91/524867891.db2.gz CSORUXBGMIXTID-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)C2CCOCC2)c1 ZINC000061671375 524887600 /nfs/dbraw/zinc/88/76/00/524887600.db2.gz JJSCCPYLRZZTRN-AWEZNQCLSA-N 0 3 251.326 2.130 10 0 CEAEHN Cc1cc(F)ccc1[C@H](CN)N1CCSCC1 ZINC000050578346 525008301 /nfs/dbraw/zinc/00/83/01/525008301.db2.gz FPQZMCUPVFZCNN-ZDUSSCGKSA-N 0 3 254.374 2.183 10 0 CEAEHN C[C@@H](N)c1ccc(F)cc1OC[C@H](O)C(F)(F)F ZINC000068877956 525026023 /nfs/dbraw/zinc/02/60/23/525026023.db2.gz VYDUFZKEEOZDLZ-LDWIPMOCSA-N 0 3 267.222 2.147 10 0 CEAEHN C[C@@H]1CN(c2ncc(CNC3CC3)s2)C[C@H](C)O1 ZINC000054900506 525073430 /nfs/dbraw/zinc/07/34/30/525073430.db2.gz QJKXBZGFONKDDL-AOOOYVTPSA-N 0 3 267.398 2.009 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Nc1ccc(F)cc1F ZINC000069133543 525095325 /nfs/dbraw/zinc/09/53/25/525095325.db2.gz IALNSMZYXIUXPB-RKDXNWHRSA-N 0 3 269.295 2.179 10 0 CEAEHN COc1ccc([C@H](N)[C@@H]2CCCCO2)c(OC)c1OC ZINC000050962772 525363885 /nfs/dbraw/zinc/36/38/85/525363885.db2.gz ARKWOVPVBKRYLO-AAEUAGOBSA-N 0 3 281.352 2.281 10 0 CEAEHN COc1ccc([C@H]2[C@H](N)CC(=O)N2CC(C)C)cc1C ZINC000070294348 525436111 /nfs/dbraw/zinc/43/61/11/525436111.db2.gz YDCYBJKSGPVUGY-CJNGLKHVSA-N 0 3 276.380 2.260 10 0 CEAEHN CSCCCNCC(=O)NC1CCCCCC1 ZINC000069447055 525477203 /nfs/dbraw/zinc/47/72/03/525477203.db2.gz AXHYHECTQSAXPR-UHFFFAOYSA-N 0 3 258.431 2.168 10 0 CEAEHN Cc1cc([C@H](CN)N2CCOC(C)(C)C2)ccc1F ZINC000050546111 525535581 /nfs/dbraw/zinc/53/55/81/525535581.db2.gz QPSYOANJZSDIGH-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN C[C@H](O)CN(C)c1nc2sccn2c1CNC(C)(C)C ZINC000062738148 525745405 /nfs/dbraw/zinc/74/54/05/525745405.db2.gz HVFKBLZAUMLVJM-JTQLQIEISA-N 0 3 296.440 2.101 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(C[C@@H]2CCCCO2)CCN1 ZINC000068693704 525901026 /nfs/dbraw/zinc/90/10/26/525901026.db2.gz LJSJVGSTAZLNGN-IRXDYDNUSA-N 0 3 274.408 2.376 10 0 CEAEHN COc1cccc(CN(C)c2ncc(CN)s2)c1 ZINC000054898818 525919715 /nfs/dbraw/zinc/91/97/15/525919715.db2.gz UFIDRIBTHZUAKX-UHFFFAOYSA-N 0 3 263.366 2.247 10 0 CEAEHN Cc1ccc(-n2nnnc2CNCC(C)C)c(C)c1 ZINC000054744414 525936452 /nfs/dbraw/zinc/93/64/52/525936452.db2.gz KDZZTNQDAYBKKB-UHFFFAOYSA-N 0 3 259.357 2.025 10 0 CEAEHN Cc1ccc(-n2nnnc2CNCC(C)C)cc1Cl ZINC000054744708 525937494 /nfs/dbraw/zinc/93/74/94/525937494.db2.gz GRRVJLFCVJMMKM-UHFFFAOYSA-N 0 3 279.775 2.370 10 0 CEAEHN Cc1ccc(C(C)C)c(O[C@H](C)C[C@](C)(N)C(N)=O)c1 ZINC000068655715 526249451 /nfs/dbraw/zinc/24/94/51/526249451.db2.gz OPUCRHQPHUCGIE-WBMJQRKESA-N 0 3 278.396 2.479 10 0 CEAEHN Cc1ccc2[nH]c(Sc3nccnc3CN)nc2c1 ZINC000061440490 526256235 /nfs/dbraw/zinc/25/62/35/526256235.db2.gz KJPIEDRLWZJEQH-UHFFFAOYSA-N 0 3 271.349 2.271 10 0 CEAEHN Cc1ccc2nc(Sc3nccnc3CN)[nH]c2c1 ZINC000061440490 526256236 /nfs/dbraw/zinc/25/62/36/526256236.db2.gz KJPIEDRLWZJEQH-UHFFFAOYSA-N 0 3 271.349 2.271 10 0 CEAEHN O=C(NCCN1CCCCC1)[C@H]1CCc2ccccc2N1 ZINC000049575581 526308062 /nfs/dbraw/zinc/30/80/62/526308062.db2.gz ZVQLERAQRHKYTJ-MRXNPFEDSA-N 0 3 287.407 2.015 10 0 CEAEHN CNCc1c(Cl)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906730 536469051 /nfs/dbraw/zinc/46/90/51/536469051.db2.gz BKHDWLYOGOBBFU-PHIMTYICSA-N 0 3 266.772 2.427 10 0 CEAEHN Cc1oc(CN)cc1CN(C)C[C@@H]1CCCCO1 ZINC000052507446 526769281 /nfs/dbraw/zinc/76/92/81/526769281.db2.gz GYWKYNLULLUOIU-ZDUSSCGKSA-N 0 3 252.358 2.048 10 0 CEAEHN N=C(N)c1cc(COc2ccc(F)c(F)c2)ccn1 ZINC000068762570 526818859 /nfs/dbraw/zinc/81/88/59/526818859.db2.gz QSNZAMCMFKZULP-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN Cc1nc(N(C)CC(F)(F)F)sc1[C@@H](C)N ZINC000054896123 526950457 /nfs/dbraw/zinc/95/04/57/526950457.db2.gz GQPVNGNNQQASOZ-RXMQYKEDSA-N 0 3 253.293 2.470 10 0 CEAEHN Cc1nc(N2C[C@H](C)OC[C@@H]2C)sc1CNC1CC1 ZINC000054997266 526973635 /nfs/dbraw/zinc/97/36/35/526973635.db2.gz PHSFJTIQHGNIRK-UWVGGRQHSA-N 0 3 281.425 2.317 10 0 CEAEHN O=C1C[C@@H](NC[C@@H]2CC=CCC2)C(=O)N1C1CCCCC1 ZINC000045629442 527020332 /nfs/dbraw/zinc/02/03/32/527020332.db2.gz PUJURGZFEXZSJM-UKRRQHHQSA-N 0 3 290.407 2.393 10 0 CEAEHN Cn1c(Cl)cnc1COc1ccc2c(c1)OC[C@H]2N ZINC000062803580 527071085 /nfs/dbraw/zinc/07/10/85/527071085.db2.gz VOUXAUOUTALXQM-SNVBAGLBSA-N 0 3 279.727 2.045 10 0 CEAEHN NC[C@@H](c1ccccc1C(F)(F)F)N1CCCOCC1 ZINC000061916666 527207593 /nfs/dbraw/zinc/20/75/93/527207593.db2.gz BJGCNNGVKBFZJS-ZDUSSCGKSA-N 0 3 288.313 2.428 10 0 CEAEHN NC[C@H](Cc1ccc(F)cc1F)C(=O)N1CCCCC1 ZINC000050304944 527225330 /nfs/dbraw/zinc/22/53/30/527225330.db2.gz HUJGGPFUFKTHBG-LBPRGKRZSA-N 0 3 282.334 2.095 10 0 CEAEHN Cn1cc(C[C@@H](N)c2cc(F)c(F)c(F)c2)cn1 ZINC000050543168 527229724 /nfs/dbraw/zinc/22/97/24/527229724.db2.gz LTBVOWXOARQWPQ-LLVKDONJSA-N 0 3 255.243 2.080 10 0 CEAEHN NC[C@H](c1ccc2ncccc2c1)N1CCSCC1 ZINC000069502294 527230525 /nfs/dbraw/zinc/23/05/25/527230525.db2.gz KFJAOUMSQKJCAO-OAHLLOKOSA-N 0 3 273.405 2.283 10 0 CEAEHN NCc1ccc(F)cc1CN1C(=O)COc2ccccc21 ZINC000069401941 527254715 /nfs/dbraw/zinc/25/47/15/527254715.db2.gz TZPLUUFUEMNYCT-UHFFFAOYSA-N 0 3 286.306 2.210 10 0 CEAEHN NCc1ncccc1CN(Cc1ccco1)C1CC1 ZINC000061656850 527265695 /nfs/dbraw/zinc/26/56/95/527265695.db2.gz YBULKKKENVARFS-UHFFFAOYSA-N 0 3 257.337 2.298 10 0 CEAEHN N[C@H](CCN1CCSCC1)c1ccccc1F ZINC000053977840 527385126 /nfs/dbraw/zinc/38/51/26/527385126.db2.gz CSXPUAZICJUHQG-CYBMUJFWSA-N 0 3 254.374 2.264 10 0 CEAEHN N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299128 527391111 /nfs/dbraw/zinc/39/11/11/527391111.db2.gz GBANYBUJRQHRND-WDEREUQCSA-N 0 3 262.136 2.409 10 0 CEAEHN N[C@H]1COc2cc(OCc3nccn3C(F)F)ccc21 ZINC000062803577 527417533 /nfs/dbraw/zinc/41/75/33/527417533.db2.gz MVNPPYBCYKRJFW-JTQLQIEISA-N 0 3 281.262 2.249 10 0 CEAEHN Cn1ccnc1[C@@H](N)Cc1ccccc1Br ZINC000069029870 527451073 /nfs/dbraw/zinc/45/10/73/527451073.db2.gz ACZMPFXCTARHGO-NSHDSACASA-N 0 3 280.169 2.425 10 0 CEAEHN OCCn1cc(CN[C@@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000068691068 527575696 /nfs/dbraw/zinc/57/56/96/527575696.db2.gz XPCSPBURWFMRCK-VXGBXAGGSA-N 0 3 291.317 2.086 10 0 CEAEHN OCCn1cc(CN[C@H]2CCCc3ccccc32)cn1 ZINC000068690581 527576135 /nfs/dbraw/zinc/57/61/35/527576135.db2.gz LLJDRTJZWHXPHC-INIZCTEOSA-N 0 3 271.364 2.043 10 0 CEAEHN OC[C@@H](NC[C@@H]1CCCO1)c1ccc2ncccc2c1 ZINC000069504741 527582147 /nfs/dbraw/zinc/58/21/47/527582147.db2.gz JOFXRCZPDMSJSX-GOEBONIOSA-N 0 3 272.348 2.037 10 0 CEAEHN OCc1cccnc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702237 527637835 /nfs/dbraw/zinc/63/78/35/527637835.db2.gz CMLLWKPBXNIYMQ-MRXNPFEDSA-N 0 3 284.359 2.227 10 0 CEAEHN CCC(O)(CC)CN1CCN(c2ccccc2OC)CC1 ZINC000165198245 528966023 /nfs/dbraw/zinc/96/60/23/528966023.db2.gz PAFZLEKTGJDVIA-UHFFFAOYSA-N 0 3 292.423 2.368 10 0 CEAEHN CCNCc1cc(N2CCOCC2)c2ccccc2n1 ZINC000109587113 535478806 /nfs/dbraw/zinc/47/88/06/535478806.db2.gz NYENATKWOQOSMS-UHFFFAOYSA-N 0 3 271.364 2.181 10 0 CEAEHN CCC1Oc2c(c(Br)ccc2N)C1=O ZINC000757175992 574511275 /nfs/dbraw/zinc/51/12/75/574511275.db2.gz QWTKKFVVLFDKQF-ZETCQYMHSA-N 0 3 256.099 2.385 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)F ZINC000309764025 625311990 /nfs/dbraw/zinc/31/19/90/625311990.db2.gz YXRHYQPIZCWTGL-LBPRGKRZSA-N 0 3 266.360 2.371 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2cc(F)c(F)cc2F)C1 ZINC000225262907 627323906 /nfs/dbraw/zinc/32/39/06/627323906.db2.gz LOCGFHDKNULJMA-NXEZZACHSA-N 0 3 259.271 2.497 10 0 CEAEHN N[C@@H](CC1CC1)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000311351325 627642528 /nfs/dbraw/zinc/64/25/28/627642528.db2.gz LZOQBZDPXCTVFH-ILDUYXDCSA-N 0 3 278.318 2.351 10 0 CEAEHN N[C@@H](CC1CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000311817061 627701400 /nfs/dbraw/zinc/70/14/00/627701400.db2.gz JJANJDZGALBCMU-LSDHHAIUSA-N 0 3 258.365 2.308 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000236941533 628741776 /nfs/dbraw/zinc/74/17/76/628741776.db2.gz UXCOHZRKKIWAHL-NOZJJQNGSA-N 0 3 268.332 2.171 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000237036711 629170573 /nfs/dbraw/zinc/17/05/73/629170573.db2.gz ORTQZYDCOIFFGG-ISVAXAHUSA-N 0 3 288.313 2.436 10 0 CEAEHN O=C(CCCc1ccccc1)N[C@H]1CN2CCC1CC2 ZINC000222592464 629184137 /nfs/dbraw/zinc/18/41/37/629184137.db2.gz OVCVPIKTHDYKLR-INIZCTEOSA-N 0 3 272.392 2.220 10 0 CEAEHN C[C@@H]1CCCN1c1nc(-c2cccnc2)nc2c1CCNC2 ZINC000071753859 641804148 /nfs/dbraw/zinc/80/41/48/641804148.db2.gz XDVKQEANEDWRRX-GFCCVEGCSA-N 0 3 295.390 2.173 10 0 CEAEHN CCc1ccc([C@@H](C)NC[C@@H]2CCCS2(=O)=O)cc1 ZINC000126970051 651039542 /nfs/dbraw/zinc/03/95/42/651039542.db2.gz VLOWJDVXZZZWED-DOMZBBRYSA-N 0 3 281.421 2.477 10 0 CEAEHN CC(C)(CNC(=O)CN)c1ccc(Cl)cc1Cl ZINC000082254718 177928305 /nfs/dbraw/zinc/92/83/05/177928305.db2.gz OFOZPOYQENSCIC-UHFFFAOYSA-N 0 3 275.179 2.346 10 0 CEAEHN CNCc1sc(N2CCC(C)CC2)nc1COC ZINC000082447235 178025797 /nfs/dbraw/zinc/02/57/97/178025797.db2.gz OMPIPFJTQDWXQM-UHFFFAOYSA-N 0 3 269.414 2.245 10 0 CEAEHN C[C@@H]1C[C@@H]1CN(C)c1ncc(Br)cc1CN ZINC000082650285 178141675 /nfs/dbraw/zinc/14/16/75/178141675.db2.gz OZFYHFJXKLJYGA-PSASIEDQSA-N 0 3 284.201 2.395 10 0 CEAEHN NCc1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000082661924 178150023 /nfs/dbraw/zinc/15/00/23/178150023.db2.gz YWCHFKYDKUYVQV-UHFFFAOYSA-N 0 3 259.206 2.489 10 0 CEAEHN C[C@H](N)c1cnc2c(Br)cc(F)cn12 ZINC000082693656 178188423 /nfs/dbraw/zinc/18/84/23/178188423.db2.gz LASGPCAGRHGELM-YFKPBYRVSA-N 0 3 258.094 2.256 10 0 CEAEHN CC(C)C[C@@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939148 361798961 /nfs/dbraw/zinc/79/89/61/361798961.db2.gz VUGBMIFXEOZYHK-SECBINFHSA-N 0 3 261.325 2.380 10 0 CEAEHN O=[S@@](CCNC1CC1)c1ccccc1Br ZINC000082747344 178269418 /nfs/dbraw/zinc/26/94/18/178269418.db2.gz LQTNIVPZRSRDDU-OAHLLOKOSA-N 0 3 288.210 2.309 10 0 CEAEHN C[C@@H]1CNC[C@@H](c2ccccc2Br)O1 ZINC000036673170 361850045 /nfs/dbraw/zinc/85/00/45/361850045.db2.gz CQFGVXSNTPGXLO-KCJUWKMLSA-N 0 3 256.143 2.499 10 0 CEAEHN CCCCN(CC(F)(F)F)C(=O)[C@@H](N)CCC ZINC000037812037 361948318 /nfs/dbraw/zinc/94/83/18/361948318.db2.gz WHXVIJPIRMBNQO-VIFPVBQESA-N 0 3 254.296 2.305 10 0 CEAEHN CC1CCC(Nc2nc(N)nc(N3CCCC3)n2)CC1 ZINC000097030781 185154606 /nfs/dbraw/zinc/15/46/06/185154606.db2.gz ITEIODZBRLQTNL-UHFFFAOYSA-N 0 3 276.388 2.045 10 0 CEAEHN CCNCc1cc2cc(OCC)ccc2n(C)c1=O ZINC000039288609 361987702 /nfs/dbraw/zinc/98/77/02/361987702.db2.gz KBWQXSZYGWOXPO-UHFFFAOYSA-N 0 3 260.337 2.047 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000247200216 282200045 /nfs/dbraw/zinc/20/00/45/282200045.db2.gz BULYPOHBAHCMLF-ILXRZTDVSA-N 0 3 264.413 2.365 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NC[C@@H]1CN(CC)CCO1 ZINC000223644414 539268616 /nfs/dbraw/zinc/26/86/16/539268616.db2.gz PUPBZGXJFQTVGN-HUUCEWRRSA-N 0 3 292.423 2.457 10 0 CEAEHN Cn1nc(CN[C@@H]2CCCCC[C@H]2O)c2ccccc21 ZINC000135720566 539288775 /nfs/dbraw/zinc/28/87/75/539288775.db2.gz NZXGORXLSKJVEJ-CZUORRHYSA-N 0 3 273.380 2.357 10 0 CEAEHN CS[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000042853424 362124905 /nfs/dbraw/zinc/12/49/05/362124905.db2.gz BRKTYVYGLWAQDX-AAEUAGOBSA-N 0 3 266.410 2.157 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCCC[C@H](SC)C2)C1 ZINC000126629767 187252335 /nfs/dbraw/zinc/25/23/35/187252335.db2.gz JHDJORZKTGSKLZ-KGLIPLIRSA-N 0 3 299.484 2.398 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCCNC2=O)cc1Br ZINC000127895542 187339125 /nfs/dbraw/zinc/33/91/25/187339125.db2.gz KKTKPCZSRBVUSO-GFCCVEGCSA-N 0 3 297.196 2.126 10 0 CEAEHN C[C@@H](NC(=O)[C@@H]1CCCCN1)c1cc(F)ccc1F ZINC000037007632 343425074 /nfs/dbraw/zinc/42/50/74/343425074.db2.gz XVTNCKBLUXLPMI-RNCFNFMXSA-N 0 3 268.307 2.284 10 0 CEAEHN CSCC[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000040462427 343437928 /nfs/dbraw/zinc/43/79/28/343437928.db2.gz OSBBTSOVHDAHGB-UFBFGSQYSA-N 0 3 288.363 2.222 10 0 CEAEHN Cc1ccc([C@@H](C)NCCN2C(=O)CCC2=O)c(C)c1 ZINC000089683035 344127840 /nfs/dbraw/zinc/12/78/40/344127840.db2.gz OLLAVCLTLUIGAG-CYBMUJFWSA-N 0 3 274.364 2.103 10 0 CEAEHN O=C1c2ccccc2C(=O)N1Cc1ccc2c(c1)CNC2 ZINC000097830220 344246221 /nfs/dbraw/zinc/24/62/21/344246221.db2.gz ASLHBQJDMPLWAN-UHFFFAOYSA-N 0 3 278.311 2.086 10 0 CEAEHN COC(=O)c1csc(CN2CCC[C@@H]2CCCO)c1 ZINC000602461119 347042077 /nfs/dbraw/zinc/04/20/77/347042077.db2.gz BDFVZBIPGMAVPB-GFCCVEGCSA-N 0 3 283.393 2.272 10 0 CEAEHN O=[N+]([O-])c1ccc(N2CCNCC2)c2ccccc21 ZINC000141872113 344402027 /nfs/dbraw/zinc/40/20/27/344402027.db2.gz MHGRYJAQVFYAFH-UHFFFAOYSA-N 0 3 257.293 2.158 10 0 CEAEHN COc1ccc2c(c1)[C@](C)(CCN(C)C)C(=O)CC2 ZINC000145894555 344409564 /nfs/dbraw/zinc/40/95/64/344409564.db2.gz QYIOZKMPHUOYER-INIZCTEOSA-N 0 3 261.365 2.420 10 0 CEAEHN C[C@](CC1CC1)(NC(=O)OCc1ccccc1)C(=N)NO ZINC000146303250 344410123 /nfs/dbraw/zinc/41/01/23/344410123.db2.gz UOWFFOSPFHMHKC-OAHLLOKOSA-N 0 3 291.351 2.428 10 0 CEAEHN Cc1cccc(CSCC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170860776 344492032 /nfs/dbraw/zinc/49/20/32/344492032.db2.gz BXYYVQAGQNKOQF-HNNXBMFYSA-N 0 3 292.448 2.391 10 0 CEAEHN CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1CCCO ZINC000052761857 362473412 /nfs/dbraw/zinc/47/34/12/362473412.db2.gz IZCZFZPZUYNZMT-LSDHHAIUSA-N 0 3 282.428 2.014 10 0 CEAEHN COc1c(C)cnc(CN2CCC[C@@H]2CCCO)c1C ZINC000052762759 362473473 /nfs/dbraw/zinc/47/34/73/362473473.db2.gz XKSIESYHTGDIHZ-CQSZACIVSA-N 0 3 278.396 2.444 10 0 CEAEHN C[C@@H](N)c1sccc1I ZINC000238383043 344606733 /nfs/dbraw/zinc/60/67/33/344606733.db2.gz RTYIRPMPKRHQHF-SCSAIBSYSA-N 0 3 253.108 2.372 10 0 CEAEHN CCN1CCO[C@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000252668355 344640958 /nfs/dbraw/zinc/64/09/58/344640958.db2.gz VLWMNCZLZZQGJK-WBVHZDCISA-N 0 3 274.408 2.374 10 0 CEAEHN CCCCOC[C@@H](O)CNCc1sc(C)nc1C ZINC000311021397 344732748 /nfs/dbraw/zinc/73/27/48/344732748.db2.gz ZEQMIYMDKNVTMW-LBPRGKRZSA-N 0 3 272.414 2.027 10 0 CEAEHN Cc1nnsc1CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000311588662 344734928 /nfs/dbraw/zinc/73/49/28/344734928.db2.gz ZLDPSQOYZFJVLD-YNEHKIRRSA-N 0 3 281.425 2.362 10 0 CEAEHN CN1CC[C@@H](Oc2cc(N)cc(C(F)(F)F)c2)C1 ZINC000306083383 344711595 /nfs/dbraw/zinc/71/15/95/344711595.db2.gz JADIYJCBIDJEEN-SNVBAGLBSA-N 0 3 260.259 2.371 10 0 CEAEHN Nc1cccc(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000306869212 344718192 /nfs/dbraw/zinc/71/81/92/344718192.db2.gz SJFVJIQFLPAAKI-AWEZNQCLSA-N 0 3 268.364 2.350 10 0 CEAEHN CNc1c(N)cnc2ccc(N3CCCCC3)cc21 ZINC000584882199 344996285 /nfs/dbraw/zinc/99/62/85/344996285.db2.gz UDGJBSMCJQFIGK-UHFFFAOYSA-N 0 3 256.353 2.271 10 0 CEAEHN OCC1(C[C@H]2CO2)CCN(Cc2ccccc2)CC1 ZINC000584882382 344996588 /nfs/dbraw/zinc/99/65/88/344996588.db2.gz FXTYRYNUUBIIFP-HNNXBMFYSA-N 0 3 261.365 2.050 10 0 CEAEHN CCc1cc2c(ncnc2N2CCNC[C@@H]2C)s1 ZINC000054375262 362533925 /nfs/dbraw/zinc/53/39/25/362533925.db2.gz QDYCKSSQQIDOTB-VIFPVBQESA-N 0 3 262.382 2.052 10 0 CEAEHN CCc1nsc(NCc2ccc3c(c2)CNC3)n1 ZINC000097830159 232187033 /nfs/dbraw/zinc/18/70/33/232187033.db2.gz AAVHUBCNRSFCCB-UHFFFAOYSA-N 0 3 260.366 2.316 10 0 CEAEHN CCc1nn(C)c(C[C@H](N)c2cc(C)nn2CC)c1Cl ZINC000097276230 185576272 /nfs/dbraw/zinc/57/62/72/185576272.db2.gz OCRHMEIALIVQCS-JTQLQIEISA-N 0 3 295.818 2.403 10 0 CEAEHN Cn1nccc1C1CCN(Cc2cccc3nccn32)CC1 ZINC000179981301 232396823 /nfs/dbraw/zinc/39/68/23/232396823.db2.gz VUOQJZLVSIHHHP-UHFFFAOYSA-N 0 3 295.390 2.447 10 0 CEAEHN NCc1c[nH]c(-c2ccc(Br)cc2)n1 ZINC000062820812 362724562 /nfs/dbraw/zinc/72/45/62/362724562.db2.gz WUYUUXMKFYKAHY-UHFFFAOYSA-N 0 3 252.115 2.298 10 0 CEAEHN CC(C)[C@@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085506256 179084798 /nfs/dbraw/zinc/08/47/98/179084798.db2.gz PLSRNSHIYRTPEE-IKGGRYGDSA-N 0 3 274.408 2.446 10 0 CEAEHN Cn1cc([C@H]2CCN(Cc3cccc4c3OCO4)C2)cn1 ZINC000128409880 187368926 /nfs/dbraw/zinc/36/89/26/187368926.db2.gz GVFOTXTZXYQIKI-LBPRGKRZSA-N 0 3 285.347 2.138 10 0 CEAEHN CCC[C@H]1CN[C@@H](c2ccccc2)CN1CCOC ZINC000085506003 179084166 /nfs/dbraw/zinc/08/41/66/179084166.db2.gz ASBJMDMDNXXWOQ-JKSUJKDBSA-N 0 3 262.397 2.448 10 0 CEAEHN C[C@@H](N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2ccccn21 ZINC000085632543 179108794 /nfs/dbraw/zinc/10/87/94/179108794.db2.gz JCOJKUOQHWRQAU-XWUBHJNHSA-N 0 3 286.379 2.193 10 0 CEAEHN CN(C)C(C)(C)[C@@H](O)c1occc1Br ZINC000085735758 179134231 /nfs/dbraw/zinc/13/42/31/179134231.db2.gz MGOJPPMUJZEGER-VIFPVBQESA-N 0 3 262.147 2.416 10 0 CEAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)[C@@H]1CCCO1 ZINC000336816841 365859211 /nfs/dbraw/zinc/85/92/11/365859211.db2.gz NOMNIVKBFYYXBO-BPUTZDHNSA-N 0 3 262.397 2.446 10 0 CEAEHN CN(Cc1ccc2ccccc2n1)CC1(CO)CC1 ZINC000065370922 362811177 /nfs/dbraw/zinc/81/11/77/362811177.db2.gz FDEALDYLMGBKFU-UHFFFAOYSA-N 0 3 256.349 2.439 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NC[C@@H]1CCCC[C@@H]1O ZINC000085980071 179209224 /nfs/dbraw/zinc/20/92/24/179209224.db2.gz QKXWYGSXVAHXJD-SWHYSGLUSA-N 0 3 265.401 2.239 10 0 CEAEHN CCN[C@H](c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086021224 179218996 /nfs/dbraw/zinc/21/89/96/179218996.db2.gz QAPJYSRNYVXPEH-AAEUAGOBSA-N 0 3 287.450 2.450 10 0 CEAEHN CC[C@@H]1CC[C@H](NC(=O)c2ccc(CN)cn2)[C@@H]1C ZINC000086082850 179228049 /nfs/dbraw/zinc/22/80/49/179228049.db2.gz MDOYOBDOFJHJSY-RTXFEEFZSA-N 0 3 261.369 2.095 10 0 CEAEHN CC[C@H]1CC[C@@H](NC(=O)c2ccc(CN)cn2)[C@@H]1C ZINC000086082853 179228497 /nfs/dbraw/zinc/22/84/97/179228497.db2.gz MDOYOBDOFJHJSY-KGYLQXTDSA-N 0 3 261.369 2.095 10 0 CEAEHN CC[C@H]1CC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)[C@@H]1C ZINC000086094025 179228914 /nfs/dbraw/zinc/22/89/14/179228914.db2.gz OCXSQSGHZWJVAH-SLBVQIDZSA-N 0 3 274.408 2.497 10 0 CEAEHN Cc1cnc(CN2C[C@@H](C)NC[C@@H]2c2ccccc2)cn1 ZINC000086174961 179245412 /nfs/dbraw/zinc/24/54/12/179245412.db2.gz CYMYRUTXASTZIK-RHSMWYFYSA-N 0 3 282.391 2.320 10 0 CEAEHN COc1cc(CN2CCNC[C@@H]2c2ccccc2)ccn1 ZINC000086177787 179246205 /nfs/dbraw/zinc/24/62/05/179246205.db2.gz KHOANTJFCJAKNP-MRXNPFEDSA-N 0 3 283.375 2.237 10 0 CEAEHN CC[C@H]1CN[C@H](c2ccccc2)CN1c1cnn(C)c1 ZINC000086218331 179249760 /nfs/dbraw/zinc/24/97/60/179249760.db2.gz YCOSJWVNWFWJJY-HOCLYGCPSA-N 0 3 270.380 2.350 10 0 CEAEHN CC[C@H]1COCCN1c1nc2c(s1)CCC[C@@H]2NC ZINC000086442945 179293655 /nfs/dbraw/zinc/29/36/55/179293655.db2.gz CFMWZACKPMTCKR-QWRGUYRKSA-N 0 3 281.425 2.355 10 0 CEAEHN CN[C@@H]1CCCc2sc(N3CCOCC3(C)C)nc21 ZINC000086443854 179293863 /nfs/dbraw/zinc/29/38/63/179293863.db2.gz YCYKRCWYNWWITE-SNVBAGLBSA-N 0 3 281.425 2.355 10 0 CEAEHN CN[C@H]1CCCc2sc(N3CCOCC3(C)C)nc21 ZINC000086443853 179293922 /nfs/dbraw/zinc/29/39/22/179293922.db2.gz YCYKRCWYNWWITE-JTQLQIEISA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(C)nc1C ZINC000086446151 179294717 /nfs/dbraw/zinc/29/47/17/179294717.db2.gz KVRZEVNWHWKVRP-UONOGXRCSA-N 0 3 275.396 2.301 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cc(OC)ccc1O ZINC000086446222 179294833 /nfs/dbraw/zinc/29/48/33/179294833.db2.gz ORHXIHNGBUUXBX-NWDGAFQWSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccccc2)[C@H](CC)CN1 ZINC000086446910 179295538 /nfs/dbraw/zinc/29/55/38/179295538.db2.gz VYIOHYZWQJZVPW-HUUCEWRRSA-N 0 3 260.381 2.218 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccc(F)c1 ZINC000086446998 179295587 /nfs/dbraw/zinc/29/55/87/179295587.db2.gz VXJRYZKHXPCBBQ-UONOGXRCSA-N 0 3 264.344 2.428 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cccs2)[C@@H](CC)CN1 ZINC000086447951 179295650 /nfs/dbraw/zinc/29/56/50/179295650.db2.gz APLVDYDQISEKAS-QWRGUYRKSA-N 0 3 252.383 2.351 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(F)c2)[C@@H](CC)CN1 ZINC000086446996 179295779 /nfs/dbraw/zinc/29/57/79/179295779.db2.gz VXJRYZKHXPCBBQ-KGLIPLIRSA-N 0 3 264.344 2.428 10 0 CEAEHN CCCC1(C(=O)[N-]OCc2ccccc2)CC[NH2+]CC1 ZINC000086437052 179292847 /nfs/dbraw/zinc/29/28/47/179292847.db2.gz NULSNYCZUCBVFA-UHFFFAOYSA-N 0 3 276.380 2.404 10 0 CEAEHN N[C@@H]1COC[C@H]1c1nc2ccc(Br)cc2s1 ZINC000086479304 179300614 /nfs/dbraw/zinc/30/06/14/179300614.db2.gz NZARRPHTFJZGSE-HTQZYQBOSA-N 0 3 299.193 2.500 10 0 CEAEHN CNC(=O)[C@H]1C[C@@H](c2cc(C)c(C)cc2C)CCN1 ZINC000086492925 179302226 /nfs/dbraw/zinc/30/22/26/179302226.db2.gz UCJGGKQZINJPQW-DZGCQCFKSA-N 0 3 260.381 2.193 10 0 CEAEHN COC[C@@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000086695545 179320588 /nfs/dbraw/zinc/32/05/88/179320588.db2.gz OAZYJILVIACKFQ-SMDDNHRTSA-N 0 3 292.379 2.339 10 0 CEAEHN CN(C)C[C@H](O)Cc1cc(F)cc(Br)c1 ZINC000086696006 179320658 /nfs/dbraw/zinc/32/06/58/179320658.db2.gz SVIASSCHXAXWKB-LLVKDONJSA-N 0 3 276.149 2.053 10 0 CEAEHN C[C@H](N[C@H]1CCC[C@@H]1S(C)(=O)=O)c1cccs1 ZINC000086671757 179317544 /nfs/dbraw/zinc/31/75/44/179317544.db2.gz ZFUBYPUCXMRKFD-NHCYSSNCSA-N 0 3 273.423 2.364 10 0 CEAEHN Cc1cccc(CN[C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086671433 179317680 /nfs/dbraw/zinc/31/76/80/179317680.db2.gz PKXRWIUHNMDKDT-KGLIPLIRSA-N 0 3 267.394 2.050 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@H]1NCCCOc1ccccc1 ZINC000086675871 179319472 /nfs/dbraw/zinc/31/94/72/179319472.db2.gz GTNNCZWWAUQQSS-CABCVRRESA-N 0 3 297.420 2.011 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(CC)CC)CCC[C@@H]1C ZINC000086678040 179319589 /nfs/dbraw/zinc/31/95/89/179319589.db2.gz DGJQSCGMKCCJCR-ZFWWWQNUSA-N 0 3 270.417 2.040 10 0 CEAEHN C[C@@H]1CCCC[C@H]1N(C)Cc1c[nH]c(=NN)s1 ZINC000086767655 179325576 /nfs/dbraw/zinc/32/55/76/179325576.db2.gz ZOPMOSPCLDOQAO-MWLCHTKSSA-N 0 3 254.403 2.439 10 0 CEAEHN CC[C@@](C)(N)c1nc2cc(Br)cnc2[nH]1 ZINC000086797364 179335698 /nfs/dbraw/zinc/33/56/98/179335698.db2.gz QKZVMGRGXKPQTI-SNVBAGLBSA-N 0 3 269.146 2.304 10 0 CEAEHN CC(C)N1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086869168 179361360 /nfs/dbraw/zinc/36/13/60/179361360.db2.gz JEBIHQQXDJRHCB-SOUVJXGZSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](C)CCCC(=O)[O-])CC1 ZINC000086869213 179361784 /nfs/dbraw/zinc/36/17/84/179361784.db2.gz URCYQNRRBKHXTF-ZDUSSCGKSA-N 0 3 256.390 2.048 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](C)CCCC(=O)[O-])CC1 ZINC000086869213 179361786 /nfs/dbraw/zinc/36/17/86/179361786.db2.gz URCYQNRRBKHXTF-ZDUSSCGKSA-N 0 3 256.390 2.048 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CC(=O)[O-])CC(C)C)CC1 ZINC000086869087 179362536 /nfs/dbraw/zinc/36/25/36/179362536.db2.gz SEMSCINLEJGMDL-CQSZACIVSA-N 0 3 270.417 2.294 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CC(=O)[O-])CC(C)C)CC1 ZINC000086869087 179362539 /nfs/dbraw/zinc/36/25/39/179362539.db2.gz SEMSCINLEJGMDL-CQSZACIVSA-N 0 3 270.417 2.294 10 0 CEAEHN Brc1csc(N2CCN3CCC[C@@H]3C2)n1 ZINC000086933287 179368005 /nfs/dbraw/zinc/36/80/05/179368005.db2.gz QXZFABQXRKSQSL-MRVPVSSYSA-N 0 3 288.214 2.190 10 0 CEAEHN CCN[C@@H](CCCOC)c1cc(Cl)cnc1N ZINC000086970203 179370665 /nfs/dbraw/zinc/37/06/65/179370665.db2.gz JPKQJGZTYLZGMH-NSHDSACASA-N 0 3 257.765 2.394 10 0 CEAEHN CCS(=O)(=O)CCCOc1cc(F)ccc1[C@@H](C)N ZINC000086973029 179371446 /nfs/dbraw/zinc/37/14/46/179371446.db2.gz HZTZFQSXHINJIR-SNVBAGLBSA-N 0 3 289.372 2.049 10 0 CEAEHN CCS(=O)(=O)CCCOc1ccccc1CNC(C)C ZINC000086972720 179371639 /nfs/dbraw/zinc/37/16/39/179371639.db2.gz XHROIKWTBVHYTD-UHFFFAOYSA-N 0 3 299.436 2.388 10 0 CEAEHN CCC(O)(CC)CNC[C@@H](O)c1c(F)cccc1F ZINC000087028490 179381757 /nfs/dbraw/zinc/38/17/57/179381757.db2.gz QZPCCUDXSLSDPL-GFCCVEGCSA-N 0 3 273.323 2.139 10 0 CEAEHN COc1ccc([C@H](CN)N2CCSC[C@@H]2C)cc1F ZINC000086992361 179375258 /nfs/dbraw/zinc/37/52/58/179375258.db2.gz QQRHIQYCQSXJDO-GWCFXTLKSA-N 0 3 284.400 2.271 10 0 CEAEHN COc1ccc([C@H]2[C@H](N)CCCC(=O)N2C2CC2)cc1F ZINC000086995329 179376022 /nfs/dbraw/zinc/37/60/22/179376022.db2.gz CSGKMUWLCQFFOW-CJNGLKHVSA-N 0 3 292.354 2.378 10 0 CEAEHN CC[C@]1(C)CNC[C@H](c2ccc3c(c2)OCCO3)O1 ZINC000087006684 179378635 /nfs/dbraw/zinc/37/86/35/179378635.db2.gz SGUVUAKIJCEZJJ-HUUCEWRRSA-N 0 3 263.337 2.287 10 0 CEAEHN Cc1ccccc1NC(=O)CNCC1(O)CCCCC1 ZINC000087029318 179382559 /nfs/dbraw/zinc/38/25/59/179382559.db2.gz BZZFDGURCBLVIE-UHFFFAOYSA-N 0 3 276.380 2.218 10 0 CEAEHN COc1cc(OC)c([C@H]2CNCC(C)(C)O2)c(OC)c1 ZINC000087090422 179394378 /nfs/dbraw/zinc/39/43/78/179394378.db2.gz AWEIOTOLQAOTMI-CYBMUJFWSA-N 0 3 281.352 2.152 10 0 CEAEHN C[C@H](NC[C@]1(O)CCC[C@@H](C)C1)C(=O)NC1CCCCC1 ZINC000087065686 179389852 /nfs/dbraw/zinc/38/98/52/179389852.db2.gz BUCSMSJRDQALLA-KEYYUXOJSA-N 0 3 296.455 2.355 10 0 CEAEHN C[C@@H]1CCC[C@@](O)(CNCC(=O)Nc2ccccc2)C1 ZINC000087065151 179389906 /nfs/dbraw/zinc/38/99/06/179389906.db2.gz UQYWXIOIZWOXHR-CJNGLKHVSA-N 0 3 276.380 2.156 10 0 CEAEHN COc1cccc(CNC[C@@]2(O)CCC[C@H](C)C2)n1 ZINC000087064089 179389921 /nfs/dbraw/zinc/38/99/21/179389921.db2.gz YHWKXGTUSOKKAK-SWLSCSKDSA-N 0 3 264.369 2.121 10 0 CEAEHN Cc1ccccc1CNC(=O)[C@H](C)N[C@H](C)[C@H]1CCCO1 ZINC000248619270 539638461 /nfs/dbraw/zinc/63/84/61/539638461.db2.gz SMGFOOHHAICHDU-IJEWVQPXSA-N 0 3 290.407 2.157 10 0 CEAEHN Nc1ccc([C@@H]2COCCN(Cc3ccccc3)C2)cn1 ZINC000616659979 348551752 /nfs/dbraw/zinc/55/17/52/348551752.db2.gz LUGDAFBCKVWKFH-INIZCTEOSA-N 0 3 283.375 2.110 10 0 CEAEHN OCc1cccc([C@H]2CNCCN2Cc2ccccc2)c1 ZINC000616637792 348542910 /nfs/dbraw/zinc/54/29/10/348542910.db2.gz YWKRJAYBTVQLPB-GOSISDBHSA-N 0 3 282.387 2.325 10 0 CEAEHN CCN1CCOCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000616660280 348552176 /nfs/dbraw/zinc/55/21/76/348552176.db2.gz WSOAOBIQPWPPMP-GFCCVEGCSA-N 0 3 272.389 2.012 10 0 CEAEHN c1ccc(CN2CCO[C@H](c3cncnc3)CC2)cc1 ZINC000616592301 348527434 /nfs/dbraw/zinc/52/74/34/348527434.db2.gz CYMSFMQJVGRQFW-INIZCTEOSA-N 0 3 269.348 2.440 10 0 CEAEHN CN[C@H](c1cccnc1N)[C@H]1COc2ccccc2C1 ZINC000088021548 179536225 /nfs/dbraw/zinc/53/62/25/179536225.db2.gz MSTYXAZVPQJOBL-DOMZBBRYSA-N 0 3 269.348 2.176 10 0 CEAEHN CN(C(=O)OC(C)(C)C)[C@H]1COCCN(C(C)(C)C)C1 ZINC000616661999 348552980 /nfs/dbraw/zinc/55/29/80/348552980.db2.gz YBHWAZCDSDVOCJ-GFCCVEGCSA-N 0 3 286.416 2.353 10 0 CEAEHN CN[C@@H](Cn1c(=O)oc2cccnc21)c1ccccc1C ZINC000088396898 179591053 /nfs/dbraw/zinc/59/10/53/179591053.db2.gz SCCGWRJEKGTDMR-ZDUSSCGKSA-N 0 3 283.331 2.259 10 0 CEAEHN CC(C)Cn1ncnc1C[C@@H]1NCCc2ccccc21 ZINC000088612410 179639425 /nfs/dbraw/zinc/63/94/25/179639425.db2.gz VTYLWSWRFTXGEV-HNNXBMFYSA-N 0 3 270.380 2.364 10 0 CEAEHN CCCNCc1cc(S(=O)(=O)NCCC)cn1C1CC1 ZINC000088976113 179688077 /nfs/dbraw/zinc/68/80/77/179688077.db2.gz JRWLEYPYUYONRR-UHFFFAOYSA-N 0 3 299.440 2.011 10 0 CEAEHN CCNCc1ccc(CC)c(S(=O)(=O)N[C@@H]2C[C@H]2C)c1 ZINC000089024362 179692465 /nfs/dbraw/zinc/69/24/65/179692465.db2.gz AHQIVNZYCQRDKK-BXUZGUMPSA-N 0 3 296.436 2.045 10 0 CEAEHN Cc1nnc(Sc2c(CNC3CC3)c(C)nn2C)s1 ZINC000104290922 185956820 /nfs/dbraw/zinc/95/68/20/185956820.db2.gz FCLDKKUTKPZRIW-UHFFFAOYSA-N 0 3 295.437 2.292 10 0 CEAEHN CCn1nc(C)cc1COc1cccc(F)c1CN ZINC000089180727 179744583 /nfs/dbraw/zinc/74/45/83/179744583.db2.gz NYCYBYLHWYXFDD-UHFFFAOYSA-N 0 3 263.316 2.388 10 0 CEAEHN COc1ccc(OCc2c(Cl)c(C)nn2C)c(CN)c1 ZINC000089231304 179758759 /nfs/dbraw/zinc/75/87/59/179758759.db2.gz FRXIKIZYLLUWQY-UHFFFAOYSA-N 0 3 295.770 2.428 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1O[C@H](C)C(=O)NC ZINC000104335288 185974123 /nfs/dbraw/zinc/97/41/23/185974123.db2.gz MPYPGNOIGKZSOW-NWDGAFQWSA-N 0 3 264.369 2.179 10 0 CEAEHN C[C@]1(c2nc(-c3cccc(Cl)c3)no2)COC[C@H]1N ZINC000090573289 180007417 /nfs/dbraw/zinc/00/74/17/180007417.db2.gz JEQHBEYUJCRTPO-MFKMUULPSA-N 0 3 279.727 2.005 10 0 CEAEHN CC(C)n1c2cccc(F)c2nc1[C@]1(C)COC[C@@H]1N ZINC000090571792 180007812 /nfs/dbraw/zinc/00/78/12/180007812.db2.gz ZYXAKPIRSPSOFH-SWLSCSKDSA-N 0 3 277.343 2.372 10 0 CEAEHN C[C@]1(c2nc(C3CCC(C)(C)CC3)no2)COC[C@H]1N ZINC000090574148 180008587 /nfs/dbraw/zinc/00/85/87/180008587.db2.gz LRDLBOJYFTTWNG-ABAIWWIYSA-N 0 3 279.384 2.369 10 0 CEAEHN C[C@]1(C(=O)Nc2cccc3ccccc32)COC[C@@H]1N ZINC000090580167 180008829 /nfs/dbraw/zinc/00/88/29/180008829.db2.gz ZVTDARXZFUDHBB-HOCLYGCPSA-N 0 3 270.332 2.142 10 0 CEAEHN CC(C)c1ccc([C@H](C)NC(=O)[C@@]2(C)COC[C@@H]2N)cc1 ZINC000090587307 180009487 /nfs/dbraw/zinc/00/94/87/180009487.db2.gz VXWITUFDIWHHTP-NUTKFTJISA-N 0 3 290.407 2.351 10 0 CEAEHN CCCCN(C(=O)[C@@]1(C)COC[C@@H]1N)c1ccccc1 ZINC000090605518 180011255 /nfs/dbraw/zinc/01/12/55/180011255.db2.gz FOONSCUUOZIMJH-HOCLYGCPSA-N 0 3 276.380 2.184 10 0 CEAEHN CC(C)CC(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090700526 180027886 /nfs/dbraw/zinc/02/78/86/180027886.db2.gz UGFVPKRWUJJWLA-AWEZNQCLSA-N 0 3 284.469 2.462 10 0 CEAEHN Cc1ccncc1[C@H](N)[C@@H]1COc2ccccc2O1 ZINC000090710174 180027900 /nfs/dbraw/zinc/02/79/00/180027900.db2.gz DRLRPVWTCOLLDA-GJZGRUSLSA-N 0 3 256.305 2.230 10 0 CEAEHN CC(=O)Nc1cccc([C@H](C)NC[C@@H](C)[S@](C)=O)c1 ZINC000090842180 180043719 /nfs/dbraw/zinc/04/37/19/180043719.db2.gz XFSKMMNKZCJEJH-RMDKCXRXSA-N 0 3 282.409 2.063 10 0 CEAEHN COC(=O)C[C@@H]1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000090876766 180052320 /nfs/dbraw/zinc/05/23/20/180052320.db2.gz NAHXPKPFWRRART-GJZGRUSLSA-N 0 3 289.375 2.408 10 0 CEAEHN OC1CCN(C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900890 180058678 /nfs/dbraw/zinc/05/86/78/180058678.db2.gz GQVLJDUZLJJTDC-ZDUSSCGKSA-N 0 3 267.756 2.100 10 0 CEAEHN CCc1ccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905866 180061045 /nfs/dbraw/zinc/06/10/45/180061045.db2.gz FUAVFVBBEWBZDM-XHSDSOJGSA-N 0 3 260.381 2.112 10 0 CEAEHN CC1CCC(CO)(CN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090907670 180062097 /nfs/dbraw/zinc/06/20/97/180062097.db2.gz JSQWIBPYYKDHJX-HFDVOGEKSA-N 0 3 253.386 2.038 10 0 CEAEHN C[C@@H](N)c1nc(CN2CCN(C3CCCC3)CC2)cs1 ZINC000090958524 180074939 /nfs/dbraw/zinc/07/49/39/180074939.db2.gz PKWUVVJSDBVCES-GFCCVEGCSA-N 0 3 294.468 2.223 10 0 CEAEHN Nc1ccccc1CN[C@H]1CCC[C@H]1n1ccnc1 ZINC000090961942 180075960 /nfs/dbraw/zinc/07/59/60/180075960.db2.gz DCGGDHLBLQQWJY-LSDHHAIUSA-N 0 3 256.353 2.349 10 0 CEAEHN CC[C@H](COC)NCc1sccc1NC(C)=O ZINC000090960772 180076276 /nfs/dbraw/zinc/07/62/76/180076276.db2.gz RTOLSHGOFMAXDG-SNVBAGLBSA-N 0 3 256.371 2.221 10 0 CEAEHN NC[C@H](NC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000090987171 180080863 /nfs/dbraw/zinc/08/08/63/180080863.db2.gz LLLBIANNMXJUOT-CVEARBPZSA-N 0 3 266.344 2.143 10 0 CEAEHN CC(C)CNCc1nccn1CC1CCOCC1 ZINC000091002910 180083812 /nfs/dbraw/zinc/08/38/12/180083812.db2.gz KORQAIZZTXSGGL-UHFFFAOYSA-N 0 3 251.374 2.055 10 0 CEAEHN CCCn1cccc1CNCCCC(=O)OCC ZINC000091127869 180099516 /nfs/dbraw/zinc/09/95/16/180099516.db2.gz CLPKDYGMZSDMKM-UHFFFAOYSA-N 0 3 252.358 2.331 10 0 CEAEHN Cn1c(C[C@H]2CSCCN2)nc2cc(Cl)ccc21 ZINC000091128541 180100097 /nfs/dbraw/zinc/10/00/97/180100097.db2.gz QTSPNSFDSGBEMI-JTQLQIEISA-N 0 3 281.812 2.474 10 0 CEAEHN C[C@@H]1CCC[C@@H](OC(=O)C[C@@H]2CSCCN2)C1 ZINC000091130014 180101356 /nfs/dbraw/zinc/10/13/56/180101356.db2.gz KKAXILVXPBQIBH-IJLUTSLNSA-N 0 3 257.399 2.203 10 0 CEAEHN CCN(Cc1cccc(C)c1)C(=O)C[C@@H]1CSCCN1 ZINC000091136103 180105062 /nfs/dbraw/zinc/10/50/62/180105062.db2.gz HYACYJIUEZOKHG-OAHLLOKOSA-N 0 3 292.448 2.439 10 0 CEAEHN CC[C@H](C)n1ncc(CNCCOC)c1C1CC1 ZINC000091337834 180136554 /nfs/dbraw/zinc/13/65/54/180136554.db2.gz GFJOSGKUKHXWEO-NSHDSACASA-N 0 3 251.374 2.468 10 0 CEAEHN Cc1cc([N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000091358733 180140368 /nfs/dbraw/zinc/14/03/68/180140368.db2.gz LSVIXZILUOZCME-SRVKXCTJSA-N 0 3 263.341 2.232 10 0 CEAEHN CN[C@@H](CSC[C@H](C)CO)c1ccc(OC)cc1 ZINC000091260826 180116012 /nfs/dbraw/zinc/11/60/12/180116012.db2.gz ZWOCZQMFLKOOHF-RISCZKNCSA-N 0 3 269.410 2.317 10 0 CEAEHN COc1ccc(OC)c([C@H](N)CSC[C@@H](C)CO)c1 ZINC000091261625 180116129 /nfs/dbraw/zinc/11/61/29/180116129.db2.gz URUVTHDCQMBBPH-GXFFZTMASA-N 0 3 285.409 2.065 10 0 CEAEHN Cn1cncc1COc1ccc(Br)cc1CN ZINC000091278237 180120798 /nfs/dbraw/zinc/12/07/98/180120798.db2.gz GKDMRFCPEUXBIK-UHFFFAOYSA-N 0 3 296.168 2.220 10 0 CEAEHN CCCC1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000091290913 180123321 /nfs/dbraw/zinc/12/33/21/180123321.db2.gz GDMZELYPAMIUTA-ZDUSSCGKSA-N 0 3 270.442 2.120 10 0 CEAEHN O=C(C[C@@H]1CNCCO1)Nc1ccc2sccc2c1 ZINC000091299896 180126806 /nfs/dbraw/zinc/12/68/06/180126806.db2.gz LPXIPSCWCAKZGA-GFCCVEGCSA-N 0 3 276.361 2.218 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)C[C@H]1CNCCO1 ZINC000091300521 180128057 /nfs/dbraw/zinc/12/80/57/180128057.db2.gz SXHCSSGYYCPQKU-NSHDSACASA-N 0 3 298.770 2.056 10 0 CEAEHN NCc1cncc(Oc2cccc3cccnc32)n1 ZINC000091434825 180154378 /nfs/dbraw/zinc/15/43/78/180154378.db2.gz ZTMWQCFUKZPDFN-UHFFFAOYSA-N 0 3 252.277 2.276 10 0 CEAEHN Cc1cc([C@H](NCC2CC2)C(N)=O)ccc1Br ZINC000091471545 180165337 /nfs/dbraw/zinc/16/53/37/180165337.db2.gz VANQDIDHSJIEJE-LBPRGKRZSA-N 0 3 297.196 2.284 10 0 CEAEHN CCCNCc1cncc(N(CC)CC(F)(F)F)n1 ZINC000091419774 180150871 /nfs/dbraw/zinc/15/08/71/180150871.db2.gz PYPZZKIEKJTBAY-UHFFFAOYSA-N 0 3 276.306 2.365 10 0 CEAEHN CCNCc1cncc(N(C)c2ccccc2F)n1 ZINC000091420365 180150902 /nfs/dbraw/zinc/15/09/02/180150902.db2.gz XYPJRFFUBFWJLO-UHFFFAOYSA-N 0 3 260.316 2.493 10 0 CEAEHN CC(C)(C)NCc1cncc(OCC(F)(F)F)n1 ZINC000091422747 180151328 /nfs/dbraw/zinc/15/13/28/180151328.db2.gz HVIUUOPVMADKSJ-UHFFFAOYSA-N 0 3 263.263 2.306 10 0 CEAEHN CNCc1cncc(N2CCC[C@@H](C(C)C)CC2)n1 ZINC000091421948 180151398 /nfs/dbraw/zinc/15/13/98/180151398.db2.gz MYJFJSMPVZKXRS-CYBMUJFWSA-N 0 3 262.401 2.459 10 0 CEAEHN CCCNCc1cncc(-n2cc(Cl)c(C)n2)n1 ZINC000091422579 180151466 /nfs/dbraw/zinc/15/14/66/180151466.db2.gz LQFLOVIQPYFFNF-UHFFFAOYSA-N 0 3 265.748 2.124 10 0 CEAEHN CN[C@@H](c1cnccc1N)C(C)(C)N1CCCCC1 ZINC000091564799 180193554 /nfs/dbraw/zinc/19/35/54/180193554.db2.gz CEJABIJLXGXGJW-AWEZNQCLSA-N 0 3 262.401 2.189 10 0 CEAEHN Cc1cc(C)cc([C@@H](N)C(C)(C)N2CCOCC2)c1 ZINC000091566069 180194063 /nfs/dbraw/zinc/19/40/63/180194063.db2.gz LYVJTZIXZOERRE-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN CCCn1ccnc1[C@@H](NCC)C(C)(C)N1CCOCC1 ZINC000091567011 180194957 /nfs/dbraw/zinc/19/49/57/180194957.db2.gz DTYHYCJPBXWQOG-CQSZACIVSA-N 0 3 294.443 2.055 10 0 CEAEHN CN[C@@H](c1cnccn1)C(C)(C)N1CCCCCC1 ZINC000091568159 180195101 /nfs/dbraw/zinc/19/51/01/180195101.db2.gz UHABXNPKAMYVRE-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN CCCc1nn(C)c(N2CC[C@H](N3CCCCC3)C2)c1N ZINC000091578665 180198213 /nfs/dbraw/zinc/19/82/13/180198213.db2.gz DARDOSKQFUDCOC-ZDUSSCGKSA-N 0 3 291.443 2.019 10 0 CEAEHN CC[C@@](C)(C(=O)Cc1ccnc(N)c1)N1CCCC1 ZINC000091601743 180203310 /nfs/dbraw/zinc/20/33/10/180203310.db2.gz WSCDHPDQPGSKNV-HNNXBMFYSA-N 0 3 261.369 2.040 10 0 CEAEHN CCn1ccnc1[C@@H](NC)[C@](C)(CC)N1CCCC1 ZINC000091606723 180204567 /nfs/dbraw/zinc/20/45/67/180204567.db2.gz QGKXBVUBYBPILG-HIFRSBDPSA-N 0 3 264.417 2.428 10 0 CEAEHN CCN[C@H](c1cnccn1)[C@@](C)(CC)N1CCCC1 ZINC000091607190 180204634 /nfs/dbraw/zinc/20/46/34/180204634.db2.gz SXCKZMOIHAGAKF-HUUCEWRRSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@](C)([C@H](N)c1cccc(C)c1)N1CCOCC1 ZINC000091611854 180206306 /nfs/dbraw/zinc/20/63/06/180206306.db2.gz HUGCNYJHZDVZMW-HZPDHXFCSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccccc1F)N1CCOCC1 ZINC000091611878 180206858 /nfs/dbraw/zinc/20/68/58/180206858.db2.gz FNVFXFAWOXPUHZ-HUUCEWRRSA-N 0 3 266.360 2.326 10 0 CEAEHN CC[C@@](C)([C@H](NC)c1ccco1)N1CCOCC1 ZINC000091612477 180207009 /nfs/dbraw/zinc/20/70/09/180207009.db2.gz YDGOODMHIXYULT-KGLIPLIRSA-N 0 3 252.358 2.041 10 0 CEAEHN N[C@@H](c1ccccc1F)C1(N2CCOCC2)CCCC1 ZINC000091642967 180214056 /nfs/dbraw/zinc/21/40/56/180214056.db2.gz JTIXGCAZPRSKBS-HNNXBMFYSA-N 0 3 278.371 2.471 10 0 CEAEHN C[C@H]1CCC[C@](C(=O)Cc2cccnc2N)(N(C)C)C1 ZINC000091650487 180216529 /nfs/dbraw/zinc/21/65/29/180216529.db2.gz ZKEAFSRRUKHHLJ-LRDDRELGSA-N 0 3 275.396 2.286 10 0 CEAEHN CCN1CCC[C@H]1CNc1nc(Cl)ncc1F ZINC000091655234 180217124 /nfs/dbraw/zinc/21/71/24/180217124.db2.gz YXZLRMBCAQNEPZ-QMMMGPOBSA-N 0 3 258.728 2.165 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719518 180234151 /nfs/dbraw/zinc/23/41/51/180234151.db2.gz HJCCAQZMLDZTMR-HOTGVXAUSA-N 0 3 296.386 2.206 10 0 CEAEHN CN[C@H](c1ccc(OC)cc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721509 180238202 /nfs/dbraw/zinc/23/82/02/180238202.db2.gz BCSJASNYULCCIC-XOKHGSTOSA-N 0 3 290.407 2.127 10 0 CEAEHN CN[C@H](c1csc(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721417 180239068 /nfs/dbraw/zinc/23/90/68/180239068.db2.gz VVMMUWKKKZQPGK-HZSPNIEDSA-N 0 3 266.410 2.180 10 0 CEAEHN CCN[C@@H]1CCCc2nc([C@H]3CN(C)CCO3)sc21 ZINC000091722468 180240184 /nfs/dbraw/zinc/24/01/84/180240184.db2.gz SXOIIJBXNRBQRX-ZYHUDNBSSA-N 0 3 281.425 2.133 10 0 CEAEHN CCCNCc1cnc([C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722438 180240938 /nfs/dbraw/zinc/24/09/38/180240938.db2.gz GLNJQJNCIYGBEP-YPMHNXCESA-N 0 3 281.425 2.178 10 0 CEAEHN CCNCc1sc([C@H]2CN3CCC[C@@H]3CO2)nc1C ZINC000091723130 180241709 /nfs/dbraw/zinc/24/17/09/180241709.db2.gz PVILBYSFMCZIRY-VXGBXAGGSA-N 0 3 281.425 2.097 10 0 CEAEHN CC(C)CNCc1cnc([C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091723183 180242377 /nfs/dbraw/zinc/24/23/77/180242377.db2.gz MLRXBCORFBBKAG-OCCSQVGLSA-N 0 3 295.452 2.424 10 0 CEAEHN CN[C@H]1COC[C@@H]1c1nc2ccc(F)cc2s1 ZINC000091939594 180289592 /nfs/dbraw/zinc/28/95/92/180289592.db2.gz HGKBDDCIYPPCOK-WPRPVWTQSA-N 0 3 252.314 2.137 10 0 CEAEHN N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCCCCC1 ZINC000091971946 180295557 /nfs/dbraw/zinc/29/55/57/180295557.db2.gz DKIWAZUOHXDEKG-CABCVRRESA-N 0 3 273.380 2.197 10 0 CEAEHN CCCNCc1nc(C)ccc1OC1CCOCC1 ZINC000091995014 180300950 /nfs/dbraw/zinc/30/09/50/180300950.db2.gz WAXIINDAIMMDTF-UHFFFAOYSA-N 0 3 264.369 2.447 10 0 CEAEHN Cc1cc(C=O)ccc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092001898 180303871 /nfs/dbraw/zinc/30/38/71/180303871.db2.gz TWRKDCLSNMCZQN-CABCVRRESA-N 0 3 258.365 2.480 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)OCCO2)C(C)(C)OC ZINC000092138975 180333721 /nfs/dbraw/zinc/33/37/21/180333721.db2.gz PFJHKMUYCUEZBW-ZDUSSCGKSA-N 0 3 251.326 2.143 10 0 CEAEHN CCN(CCC(=O)OC)C[C@@H]1COc2ccccc21 ZINC000092305667 180360140 /nfs/dbraw/zinc/36/01/40/180360140.db2.gz IJUFDUXNEMUTKW-GFCCVEGCSA-N 0 3 263.337 2.048 10 0 CEAEHN Cn1cc(CNC[C@H]2Cc3ccccc3S2)cn1 ZINC000092243033 180351790 /nfs/dbraw/zinc/35/17/90/180351790.db2.gz GAGGTRNICVAYIZ-CYBMUJFWSA-N 0 3 259.378 2.227 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000105871168 186081497 /nfs/dbraw/zinc/08/14/97/186081497.db2.gz VELJRYFZBKWPIZ-ZWNOBZJWSA-N 0 3 260.316 2.083 10 0 CEAEHN COC(=O)CCCN(C)C[C@@H]1COc2ccccc21 ZINC000092305677 180360857 /nfs/dbraw/zinc/36/08/57/180360857.db2.gz AFQWPIKQTLVCFU-GFCCVEGCSA-N 0 3 263.337 2.048 10 0 CEAEHN COCCN1CCN(CCOc2cccc(C)c2)C[C@H]1C ZINC000105831826 186075268 /nfs/dbraw/zinc/07/52/68/186075268.db2.gz ZJTXOVALYMDXKV-MRXNPFEDSA-N 0 3 292.423 2.026 10 0 CEAEHN CCOC(=O)CCN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105922263 186091275 /nfs/dbraw/zinc/09/12/75/186091275.db2.gz STINDBLKGJEPFF-CYBMUJFWSA-N 0 3 279.384 2.127 10 0 CEAEHN CC(C)(C)OC(=O)CCN1CCC(Cn2cccn2)CC1 ZINC000105920061 186091512 /nfs/dbraw/zinc/09/15/12/186091512.db2.gz GSROHDMAHBAWKP-UHFFFAOYSA-N 0 3 293.411 2.327 10 0 CEAEHN COC(=O)CCN[C@@H]1CCCc2ccc(OC)cc21 ZINC000092383500 180372397 /nfs/dbraw/zinc/37/23/97/180372397.db2.gz ZYUQQBIEYOZCFA-CQSZACIVSA-N 0 3 263.337 2.225 10 0 CEAEHN Cc1noc(C)c1[C@H](C)N[C@H]1CCN(C(C)C)C1 ZINC000092326444 180363358 /nfs/dbraw/zinc/36/33/58/180363358.db2.gz RHLZLNMNRAKOGX-GWCFXTLKSA-N 0 3 251.374 2.425 10 0 CEAEHN COc1ccc([C@H](CN)NCc2ccccc2)cc1OC ZINC000106024087 186098775 /nfs/dbraw/zinc/09/87/75/186098775.db2.gz NFDJTLOOUQNBGC-HNNXBMFYSA-N 0 3 286.375 2.493 10 0 CEAEHN COC(=O)[C@@H](CNCc1c(C)noc1C)c1ccccc1 ZINC000092339572 180365283 /nfs/dbraw/zinc/36/52/83/180365283.db2.gz SGPIGJZPOYIQOU-HNNXBMFYSA-N 0 3 288.347 2.338 10 0 CEAEHN CNc1cccc(CN(CCOC)CC(C)C)n1 ZINC000092368803 180369670 /nfs/dbraw/zinc/36/96/70/180369670.db2.gz RXYOGMOYHWYAGR-UHFFFAOYSA-N 0 3 251.374 2.228 10 0 CEAEHN CCNc1cccc(CN2CCN(CC(C)C)CC2)n1 ZINC000092370268 180370405 /nfs/dbraw/zinc/37/04/05/180370405.db2.gz WETUWTXOJDIWNS-UHFFFAOYSA-N 0 3 276.428 2.287 10 0 CEAEHN COC[C@H](C)N(C)[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387842 180374858 /nfs/dbraw/zinc/37/48/58/180374858.db2.gz NOJVCFVRAQPPOC-XZJROXQQSA-N 0 3 279.380 2.010 10 0 CEAEHN CCNc1ccnc(CN(C)[C@@H]2CCSC2)c1 ZINC000092418124 180380893 /nfs/dbraw/zinc/38/08/93/180380893.db2.gz YVBUSMSIECYIML-CYBMUJFWSA-N 0 3 251.399 2.451 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](N1CCCO[C@@H](C)C1)CC2 ZINC000092385812 180373562 /nfs/dbraw/zinc/37/35/62/180373562.db2.gz WVYDYSPIVOYLMV-VUCTXSBTSA-N 0 3 290.407 2.121 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@@H](OCC1CCOCC1)CC2 ZINC000092386810 180374029 /nfs/dbraw/zinc/37/40/29/180374029.db2.gz LZSMHCQMHSBJFW-DLBZAZTESA-N 0 3 291.391 2.453 10 0 CEAEHN CC(C)[C@@H](NCc1cccc(Br)c1)C(N)=O ZINC000107322899 186169078 /nfs/dbraw/zinc/16/90/78/186169078.db2.gz NDNBQIBMMFXKMB-LLVKDONJSA-N 0 3 285.185 2.049 10 0 CEAEHN CC[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(C)cc1 ZINC000109041121 186241684 /nfs/dbraw/zinc/24/16/84/186241684.db2.gz BLYNBHPJWQZECU-CQSZACIVSA-N 0 3 298.452 2.364 10 0 CEAEHN Cc1cc(NC[C@H]2CN(C)CCO2)c2ccccc2n1 ZINC000108945682 186237475 /nfs/dbraw/zinc/23/74/75/186237475.db2.gz JYPYIIHMWONLJS-ZDUSSCGKSA-N 0 3 271.364 2.286 10 0 CEAEHN CN[C@H](COC)Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000109514017 186257973 /nfs/dbraw/zinc/25/79/73/186257973.db2.gz TZZBDKWSZGHQKP-VIFPVBQESA-N 0 3 299.733 2.306 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@@H]2CCCOC2)c1C ZINC000109546068 186262194 /nfs/dbraw/zinc/26/21/94/186262194.db2.gz SBDIPYXUQOYJHJ-ZWNOBZJWSA-N 0 3 251.374 2.349 10 0 CEAEHN COc1ccc(NC(=O)CNC(C)(C)C)cc1F ZINC000109215942 186246220 /nfs/dbraw/zinc/24/62/20/186246220.db2.gz AJNVAYBSXARNLG-UHFFFAOYSA-N 0 3 254.305 2.161 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1cc[nH]c1)c1ccccc1 ZINC000109250013 186246396 /nfs/dbraw/zinc/24/63/96/186246396.db2.gz KZANNTFSFYTHIK-AWEZNQCLSA-N 0 3 257.337 2.047 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(CCC(C)C)C1CC1)NC ZINC000109956386 186280989 /nfs/dbraw/zinc/28/09/89/186280989.db2.gz JULAWLWEUIGNJK-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1O[C@H](C)C(=O)OC ZINC000110960304 186336868 /nfs/dbraw/zinc/33/68/68/186336868.db2.gz ZXSHNESLXHQCJG-GHMZBOCLSA-N 0 3 251.326 2.216 10 0 CEAEHN C[C@@H]1CN(Cc2ccc(N)cc2Br)CCN1C ZINC000110701255 186314267 /nfs/dbraw/zinc/31/42/67/186314267.db2.gz WDPSLBKSQQSKDX-SNVBAGLBSA-N 0 3 298.228 2.167 10 0 CEAEHN CC[C@H]1CN(Cc2cc3ccccc3nc2N)CCN1C ZINC000110742877 186319033 /nfs/dbraw/zinc/31/90/33/186319033.db2.gz KGTQEJCKRPSXGG-HNNXBMFYSA-N 0 3 284.407 2.343 10 0 CEAEHN C[C@H]1CN(CCNc2ccc(Cl)cc2)CCN1C ZINC000110756524 186319773 /nfs/dbraw/zinc/31/97/73/186319773.db2.gz RMUPJBAQIFCEIR-LBPRGKRZSA-N 0 3 267.804 2.388 10 0 CEAEHN Cc1nc(N2CCN(C)C(C)(C)C2)sc1CNC1CC1 ZINC000110760376 186322993 /nfs/dbraw/zinc/32/29/93/186322993.db2.gz QKTPBOFYGYDQBQ-UHFFFAOYSA-N 0 3 294.468 2.234 10 0 CEAEHN CCOC(CCN1CCN([C@@H](C)CC)CC1)OCC ZINC000110785931 186324582 /nfs/dbraw/zinc/32/45/82/186324582.db2.gz MDBYPYKYQOQTCO-AWEZNQCLSA-N 0 3 272.433 2.192 10 0 CEAEHN COc1cc(N(CCN(C)C)CC(C)C)ccc1N ZINC000111053914 186348617 /nfs/dbraw/zinc/34/86/17/186348617.db2.gz WLSFIBVIHQXMRQ-UHFFFAOYSA-N 0 3 265.401 2.301 10 0 CEAEHN CN[C@H](C)c1ccccc1SCCS(C)(=O)=O ZINC000111005167 186342301 /nfs/dbraw/zinc/34/23/01/186342301.db2.gz WXJMMARKCAOFGV-SNVBAGLBSA-N 0 3 273.423 2.104 10 0 CEAEHN COCc1ccc([C@@H]2CCCN2CC(C)(C)O)o1 ZINC000130773459 365989086 /nfs/dbraw/zinc/98/90/86/365989086.db2.gz MERAJEJXJWCWHK-LBPRGKRZSA-N 0 3 253.342 2.334 10 0 CEAEHN COCc1ccc([C@H]2CCCN2CC(C)(C)O)o1 ZINC000130773265 365989172 /nfs/dbraw/zinc/98/91/72/365989172.db2.gz MERAJEJXJWCWHK-GFCCVEGCSA-N 0 3 253.342 2.334 10 0 CEAEHN Nc1cccc(Cl)c1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000111012838 186343462 /nfs/dbraw/zinc/34/34/62/186343462.db2.gz AWLHSROZHUKIAK-NSHDSACASA-N 0 3 293.798 2.233 10 0 CEAEHN NC(=S)c1cc(F)ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000111032140 186346362 /nfs/dbraw/zinc/34/63/62/186346362.db2.gz XUFMXYAHVFVABD-SNVBAGLBSA-N 0 3 279.384 2.109 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC2(O)CCC2)c1C ZINC000130798122 365992341 /nfs/dbraw/zinc/99/23/41/365992341.db2.gz MQBOYJIMUXNMFZ-JTQLQIEISA-N 0 3 251.374 2.085 10 0 CEAEHN CN(CC1CCOCC1)[C@H](CN)c1c(F)cccc1F ZINC000111159629 186362913 /nfs/dbraw/zinc/36/29/13/186362913.db2.gz WOQCYLCCJMJYKL-CQSZACIVSA-N 0 3 284.350 2.323 10 0 CEAEHN CCOCCN(CC)C[C@@H](NC)c1ccc2c(c1)OCO2 ZINC000111119142 186355103 /nfs/dbraw/zinc/35/51/03/186355103.db2.gz TWILBNGMKUIETJ-CQSZACIVSA-N 0 3 294.395 2.034 10 0 CEAEHN CCOCCN(CC)Cc1cc(CNC)oc1C ZINC000111124110 186355348 /nfs/dbraw/zinc/35/53/48/186355348.db2.gz RJRBIJZKNKTICL-UHFFFAOYSA-N 0 3 254.374 2.166 10 0 CEAEHN CN(C)CCN(C)CC[C@@H](O)c1ccc(Cl)cc1 ZINC000111148561 186359379 /nfs/dbraw/zinc/35/93/79/186359379.db2.gz TUCVJWKWCNPILD-CQSZACIVSA-N 0 3 270.804 2.257 10 0 CEAEHN Cc1ccc([C@@H](CN)Sc2nnc(N(C)C)s2)o1 ZINC000111315412 186396455 /nfs/dbraw/zinc/39/64/55/186396455.db2.gz OJCMEDUKCQNAAS-SECBINFHSA-N 0 3 284.410 2.298 10 0 CEAEHN Cc1ccc(CN(C)C[C@]2(CO)CCCOC2)cc1 ZINC000111331084 186399423 /nfs/dbraw/zinc/39/94/23/186399423.db2.gz UCLLOCQCWGBCDN-INIZCTEOSA-N 0 3 263.381 2.216 10 0 CEAEHN CC[C@](C)(O)CN(C)Cc1ccc(C(=O)OC)cc1 ZINC000123369051 187087817 /nfs/dbraw/zinc/08/78/17/187087817.db2.gz QPKFTKMELJJGPM-HNNXBMFYSA-N 0 3 265.353 2.066 10 0 CEAEHN COc1ccc(OC)c(CN[C@@H]2CCCCC[C@@H]2O)c1 ZINC000135658497 187846279 /nfs/dbraw/zinc/84/62/79/187846279.db2.gz AQQCCMCTTGJTDP-CABCVRRESA-N 0 3 279.380 2.487 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccccc2C)C1 ZINC000148503379 539929263 /nfs/dbraw/zinc/92/92/63/539929263.db2.gz VCMFMMAULWZTKL-HUUCEWRRSA-N 0 3 262.397 2.366 10 0 CEAEHN NC1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000147746536 303356590 /nfs/dbraw/zinc/35/65/90/303356590.db2.gz KKCIXLAKRBXWCX-IUCAKERBSA-N 0 3 264.291 2.105 10 0 CEAEHN CCCOc1cccc(CC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000153609967 188093355 /nfs/dbraw/zinc/09/33/55/188093355.db2.gz BKXMDKQQQVMCOI-HNNXBMFYSA-N 0 3 290.407 2.180 10 0 CEAEHN CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(C)ccc1[O-] ZINC000156082399 188241905 /nfs/dbraw/zinc/24/19/05/188241905.db2.gz RIANYGDOUTVXFL-CYBMUJFWSA-N 0 3 263.385 2.012 10 0 CEAEHN CC[N@H+]1CCC[C@@H]1CN(C)Cc1nc(C)ccc1[O-] ZINC000156082399 188241906 /nfs/dbraw/zinc/24/19/06/188241906.db2.gz RIANYGDOUTVXFL-CYBMUJFWSA-N 0 3 263.385 2.012 10 0 CEAEHN Cc1ccc(OCC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000155724212 188223694 /nfs/dbraw/zinc/22/36/94/188223694.db2.gz HRJDCIGONOMLNC-HOCLYGCPSA-N 0 3 290.407 2.219 10 0 CEAEHN CCOC(=O)CCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000132613090 366157915 /nfs/dbraw/zinc/15/79/15/366157915.db2.gz NVTSAPPDKWBTOT-KBPBESRZSA-N 0 3 269.385 2.363 10 0 CEAEHN Cc1cc2[nH]c(=O)c(CN)cc2c(C)c1Br ZINC000675070193 540111909 /nfs/dbraw/zinc/11/19/09/540111909.db2.gz RCEAYEOOWZBWEO-UHFFFAOYSA-N 0 3 281.153 2.366 10 0 CEAEHN NCc1cc2c(F)c(Br)c(F)cc2[nH]c1=O ZINC000675070151 540112212 /nfs/dbraw/zinc/11/22/12/540112212.db2.gz QIBIDKUXDKSXSE-UHFFFAOYSA-N 0 3 289.079 2.440 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCCN(CCO)C2)c(Cl)c1 ZINC000384275822 540204843 /nfs/dbraw/zinc/20/48/43/540204843.db2.gz ABBPCYWINMTDBD-CQSZACIVSA-N 0 3 282.815 2.195 10 0 CEAEHN Clc1ccc2c(c1)nccc2NC[C@@H]1CNCCO1 ZINC000134271011 366305898 /nfs/dbraw/zinc/30/58/98/366305898.db2.gz OZWMPNSCGPGQPS-NSHDSACASA-N 0 3 277.755 2.289 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000075959439 363502725 /nfs/dbraw/zinc/50/27/25/363502725.db2.gz DFYWSGFGEVNSFB-CJNGLKHVSA-N 0 3 287.407 2.359 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000075978031 363503555 /nfs/dbraw/zinc/50/35/55/363503555.db2.gz WDVQJMKVSJIYDY-ZBFHGGJFSA-N 0 3 287.407 2.312 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCC(=O)NC(C)C)c1C ZINC000135106154 366396242 /nfs/dbraw/zinc/39/62/42/366396242.db2.gz DZZBZQFIDZHHEQ-NSHDSACASA-N 0 3 280.416 2.085 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)COc1ccccc1 ZINC000177016103 189020756 /nfs/dbraw/zinc/02/07/56/189020756.db2.gz CCHNYRJHUIKDMM-AWEZNQCLSA-N 0 3 276.380 2.008 10 0 CEAEHN CCc1nc(CC(=O)N(C)C[C@H]2CCCN2CC)cs1 ZINC000177042349 189023154 /nfs/dbraw/zinc/02/31/54/189023154.db2.gz FNVDOLQTKXHVJB-CYBMUJFWSA-N 0 3 295.452 2.191 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1nc(C)cs1 ZINC000177320336 189043970 /nfs/dbraw/zinc/04/39/70/189043970.db2.gz ADIHALNITRFFRS-GFCCVEGCSA-N 0 3 296.440 2.077 10 0 CEAEHN CC[C@@H](NC[C@@H]1CN(C)CCO1)c1cc(C)ccc1OC ZINC000180490883 189258463 /nfs/dbraw/zinc/25/84/63/189258463.db2.gz RKPLLEFTJSZURI-GDBMZVCRSA-N 0 3 292.423 2.375 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)CCC2 ZINC000180582459 189263447 /nfs/dbraw/zinc/26/34/47/189263447.db2.gz WYVMSELXHBIVOB-MLGOLLRUSA-N 0 3 282.391 2.432 10 0 CEAEHN CCc1cc(-c2ccccc2)nn(CCN(C)C)c1=O ZINC000003624294 361286860 /nfs/dbraw/zinc/28/68/60/361286860.db2.gz JJKNEVNXGSPGQZ-UHFFFAOYSA-N 0 3 271.364 2.034 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000182100624 189313925 /nfs/dbraw/zinc/31/39/25/189313925.db2.gz PGQFHVYIGAOTAD-HZMBPMFUSA-N 0 3 293.411 2.039 10 0 CEAEHN COc1ccccc1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000182396439 189322234 /nfs/dbraw/zinc/32/22/34/189322234.db2.gz RESAVUWHRLDETG-OAHLLOKOSA-N 0 3 290.407 2.180 10 0 CEAEHN COC(=O)[C@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000083798919 363787591 /nfs/dbraw/zinc/78/75/91/363787591.db2.gz VFOVKYLVBSMZND-ZDUSSCGKSA-N 0 3 270.332 2.230 10 0 CEAEHN Cc1ccc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)nc1 ZINC000184251841 189380529 /nfs/dbraw/zinc/38/05/29/189380529.db2.gz ABHOWHIXFPBMRJ-QWHCGFSZSA-N 0 3 276.384 2.240 10 0 CEAEHN Cc1cccc(C(=O)N[C@H](CN(C)C)c2ccccc2)n1 ZINC000026323487 361638939 /nfs/dbraw/zinc/63/89/39/361638939.db2.gz FMHWTLQYUWBQSB-MRXNPFEDSA-N 0 3 283.375 2.423 10 0 CEAEHN O=C(Cc1ccc(Cl)cc1)N1CCN2CCC[C@H]2C1 ZINC000027932906 361663211 /nfs/dbraw/zinc/66/32/11/361663211.db2.gz XKBGFCOOKCSVNW-AWEZNQCLSA-N 0 3 278.783 2.189 10 0 CEAEHN CCn1c(CNC[C@H]2CCC[C@H]2O)nc2ccccc21 ZINC000089165048 363944621 /nfs/dbraw/zinc/94/46/21/363944621.db2.gz XISMOAJHCUIGME-IUODEOHRSA-N 0 3 273.380 2.307 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccncc1Cl ZINC000092632251 364090750 /nfs/dbraw/zinc/09/07/50/364090750.db2.gz KFSFJJXNDNXCSH-NSHDSACASA-N 0 3 281.787 2.291 10 0 CEAEHN CCC[C@H](C(=O)N1CC(C)(C)OC(C)(C)C1)N(C)C ZINC000188923334 283761408 /nfs/dbraw/zinc/76/14/08/283761408.db2.gz PZGVZGANQMEDAG-GFCCVEGCSA-N 0 3 270.417 2.133 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H]2CCCNC2=O)cc1F ZINC000094837846 364304351 /nfs/dbraw/zinc/30/43/51/364304351.db2.gz RBQQISAEHXMJGA-GXFFZTMASA-N 0 3 250.317 2.063 10 0 CEAEHN c1n[nH]cc1[C@@H]1CCCCN1CCN1CCCCC1 ZINC000158163280 366853880 /nfs/dbraw/zinc/85/38/80/366853880.db2.gz UMRLDZUSXIJARI-HNNXBMFYSA-N 0 3 262.401 2.423 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2coc3ccccc23)C1 ZINC000113170048 364873768 /nfs/dbraw/zinc/87/37/68/364873768.db2.gz CLLIIXBGDRRWDA-NSHDSACASA-N 0 3 258.321 2.209 10 0 CEAEHN Cc1noc(C)c1[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000113225745 364876995 /nfs/dbraw/zinc/87/69/95/364876995.db2.gz QZCSMYXUALQCLB-MJVIPROJSA-N 0 3 291.395 2.090 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CSc1ccccc1 ZINC000113223743 364877054 /nfs/dbraw/zinc/87/70/54/364877054.db2.gz FZOURKHDMSEUEN-ZIAGYGMSSA-N 0 3 290.432 2.474 10 0 CEAEHN CC[C@H]1CCCCN1CCNC(=O)N1CCS[C@H](C)C1 ZINC000113403995 364891914 /nfs/dbraw/zinc/89/19/14/364891914.db2.gz LFAGVKYJHJGKTJ-KGLIPLIRSA-N 0 3 299.484 2.398 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(N(C)C)c1 ZINC000113444787 364895220 /nfs/dbraw/zinc/89/52/20/364895220.db2.gz DREZXOUWNQTOMF-CZUORRHYSA-N 0 3 287.407 2.061 10 0 CEAEHN Cn1cc([C@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)cn1 ZINC000116315307 365050030 /nfs/dbraw/zinc/05/00/30/365050030.db2.gz VBPRBHQVHQZFIC-AWEZNQCLSA-N 0 3 299.374 2.181 10 0 CEAEHN C[C@H]1C[C@H]1NCc1ccccc1OCC(=O)NCC1CC1 ZINC000116338860 365051129 /nfs/dbraw/zinc/05/11/29/365051129.db2.gz RBMSAKYJZPGLAA-SWLSCSKDSA-N 0 3 288.391 2.090 10 0 CEAEHN CC(C)CCOCCN1CC[C@H](c2cnn(C)c2)C1 ZINC000116407682 365053675 /nfs/dbraw/zinc/05/36/75/365053675.db2.gz BADUBYLONIDLED-AWEZNQCLSA-N 0 3 265.401 2.272 10 0 CEAEHN Cc1cc(NC(=O)N2CC[C@H](N(C)C)C2)cnc1Cl ZINC000119466377 365276677 /nfs/dbraw/zinc/27/66/77/365276677.db2.gz TZJTYRUYPUOCCC-NSHDSACASA-N 0 3 282.775 2.211 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](C)c1c(C)noc1C)N(C)C ZINC000120366214 365414113 /nfs/dbraw/zinc/41/41/13/365414113.db2.gz IBNUDDLULKJOIK-GWCFXTLKSA-N 0 3 281.400 2.241 10 0 CEAEHN CS[C@H](C)CNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000120785810 365475840 /nfs/dbraw/zinc/47/58/40/365475840.db2.gz QUPNSNNJEHFGTM-OCCSQVGLSA-N 0 3 295.452 2.340 10 0 CEAEHN C[C@H](N[C@H]1C[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000120478539 365430731 /nfs/dbraw/zinc/43/07/31/365430731.db2.gz IWWWBADYMYMYQT-PTRXPTGYSA-N 0 3 271.357 2.288 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CC[C@@H]1CCOC1=O ZINC000120495690 365432273 /nfs/dbraw/zinc/43/22/73/365432273.db2.gz VXANFTJLPQCODF-ZIAGYGMSSA-N 0 3 291.395 2.127 10 0 CEAEHN CCc1noc([C@H](C)N2CCN(C[C@@H](C)CC)CC2)n1 ZINC000120502305 365433765 /nfs/dbraw/zinc/43/37/65/365433765.db2.gz ZQQOEYVYFMTHSR-STQMWFEESA-N 0 3 280.416 2.357 10 0 CEAEHN CC[C@H]1CN(Cc2cc(F)cc(F)c2)CCN1C[C@@H](C)O ZINC000120681340 365460183 /nfs/dbraw/zinc/46/01/83/365460183.db2.gz LQDBOZKDTLVATF-WBMJQRKESA-N 0 3 298.377 2.242 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)CC(C)(C)OC ZINC000245420558 370817020 /nfs/dbraw/zinc/81/70/20/370817020.db2.gz MWCQFRZHJLNVNH-KGLIPLIRSA-N 0 3 299.459 2.316 10 0 CEAEHN CCC[C@@H](C(=O)N1CCCC[C@@H](SC)C1)N(C)C ZINC000161780778 367111428 /nfs/dbraw/zinc/11/14/28/367111428.db2.gz GUCPIKIDPPCGQV-OLZOCXBDSA-N 0 3 272.458 2.461 10 0 CEAEHN CCC[C@@H](C(=O)N1CCCC[C@H](SC)C1)N(C)C ZINC000161780540 367112009 /nfs/dbraw/zinc/11/20/09/367112009.db2.gz GUCPIKIDPPCGQV-STQMWFEESA-N 0 3 272.458 2.461 10 0 CEAEHN CNC(=O)N(c1ccccc1)[C@@H]1CCN(C(C)C)C1 ZINC000584649286 367175409 /nfs/dbraw/zinc/17/54/09/367175409.db2.gz KQUNQXQMPXUVPB-CQSZACIVSA-N 0 3 261.369 2.315 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000245459028 370823513 /nfs/dbraw/zinc/82/35/13/370823513.db2.gz DELMPPCBUJBNRK-BZUAXINKSA-N 0 3 295.471 2.097 10 0 CEAEHN COCc1ccsc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000245515230 370832082 /nfs/dbraw/zinc/83/20/82/370832082.db2.gz DGFANCSGJBYFOK-YPMHNXCESA-N 0 3 294.420 2.203 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(C)s2)CCN1C[C@H](C)O ZINC000245705226 370860697 /nfs/dbraw/zinc/86/06/97/370860697.db2.gz DZDWJLKUHCDAEY-GXTWGEPZSA-N 0 3 282.453 2.334 10 0 CEAEHN CN(C)C[C@H](NC(=O)Cc1ccoc1)c1ccccc1 ZINC000163776514 367264722 /nfs/dbraw/zinc/26/47/22/367264722.db2.gz WIYHBTXKMXQAJJ-HNNXBMFYSA-N 0 3 272.348 2.241 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C1 ZINC000170826119 367426552 /nfs/dbraw/zinc/42/65/52/367426552.db2.gz ZTWJUGNXTJTNRJ-AWEZNQCLSA-N 0 3 295.814 2.228 10 0 CEAEHN Cc1cc(F)ccc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000171071547 367471719 /nfs/dbraw/zinc/47/17/19/367471719.db2.gz HBWGKMYABCJBFS-LBPRGKRZSA-N 0 3 265.332 2.302 10 0 CEAEHN COCc1ccccc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000171076805 367472694 /nfs/dbraw/zinc/47/26/94/367472694.db2.gz ZWDDMGWFASYEOL-ZDUSSCGKSA-N 0 3 277.368 2.001 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCc2ccccc2Cl)C1 ZINC000170834830 367429424 /nfs/dbraw/zinc/42/94/24/367429424.db2.gz RAEUPMPOZFTRIV-ZDUSSCGKSA-N 0 3 295.814 2.228 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000170834879 367429468 /nfs/dbraw/zinc/42/94/68/367429468.db2.gz KUHITZIXFREUHV-KFWWJZLASA-N 0 3 291.370 2.027 10 0 CEAEHN CCn1cc(C(=O)N2CC[C@@H](N(C)C)C2)c2ccccc21 ZINC000170857637 367432348 /nfs/dbraw/zinc/43/23/48/367432348.db2.gz GPNGQPZQXIUFKC-CYBMUJFWSA-N 0 3 285.391 2.437 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2cccc(Cl)c2)C1 ZINC000170861733 367434914 /nfs/dbraw/zinc/43/49/14/367434914.db2.gz ZFGZZOVWKQYOLJ-CYBMUJFWSA-N 0 3 281.787 2.186 10 0 CEAEHN COc1ccccc1[C@H](C)CC(=O)N1CC[C@H](N(C)C)C1 ZINC000171303157 367518506 /nfs/dbraw/zinc/51/85/06/367518506.db2.gz PCTGCZCDZMEFKN-KGLIPLIRSA-N 0 3 290.407 2.351 10 0 CEAEHN COCCN(CCN(C)C)C(=O)N[C@H](C)c1cccs1 ZINC000171587037 367573581 /nfs/dbraw/zinc/57/35/81/367573581.db2.gz ZHJAFIUEXDIOLY-GFCCVEGCSA-N 0 3 299.440 2.029 10 0 CEAEHN C/C(=C\C(=O)N1CC[C@@H](N(C)C)C1)c1cccc(F)c1 ZINC000171777950 367614279 /nfs/dbraw/zinc/61/42/79/367614279.db2.gz IKFRBSWJUPGIIW-SAAWKEMMSA-N 0 3 276.355 2.392 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@@H]1C ZINC000171897430 367635263 /nfs/dbraw/zinc/63/52/63/367635263.db2.gz OLKJZQRPDPDRBW-TUVASFSCSA-N 0 3 279.428 2.301 10 0 CEAEHN CC[C@H]1CN(Cc2sccc2C)CCN1C[C@H](C)O ZINC000245727440 370864801 /nfs/dbraw/zinc/86/48/01/370864801.db2.gz JBAPXTGXYOESHN-KBPBESRZSA-N 0 3 282.453 2.334 10 0 CEAEHN O=C1C[C@@H](NCc2cc[nH]c2)[C@H](c2cccnc2)N1C1CC1 ZINC000343415772 367802375 /nfs/dbraw/zinc/80/23/75/367802375.db2.gz CJIGYQFIACXDNU-WBVHZDCISA-N 0 3 296.374 2.004 10 0 CEAEHN C[C@H]1CN(C[C@@H](O)COCc2cccs2)CCS1 ZINC000245808363 370874934 /nfs/dbraw/zinc/87/49/34/370874934.db2.gz DWXPWKDXTRELHY-NWDGAFQWSA-N 0 3 287.450 2.063 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1cccs1 ZINC000173422421 367909387 /nfs/dbraw/zinc/90/93/87/367909387.db2.gz XUKMWNRSQZCKMW-STQMWFEESA-N 0 3 291.420 2.465 10 0 CEAEHN COc1cncc(CN2C[C@H]3CCCCN3C[C@H]2C)c1 ZINC000343869009 368049601 /nfs/dbraw/zinc/04/96/01/368049601.db2.gz OVSCVWMBARFYGM-UKRRQHHQSA-N 0 3 275.396 2.149 10 0 CEAEHN COCCN1CCN(c2ccnc3ccccc32)C[C@@H]1C ZINC000174735336 368060815 /nfs/dbraw/zinc/06/08/15/368060815.db2.gz RXYFWVLPQIJLLS-AWEZNQCLSA-N 0 3 285.391 2.392 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)c1cccnc1 ZINC000174290861 368005950 /nfs/dbraw/zinc/00/59/50/368005950.db2.gz LZRAHIILCGVBKE-ZFWWWQNUSA-N 0 3 277.412 2.278 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1cccc(F)c1 ZINC000175358824 368129024 /nfs/dbraw/zinc/12/90/24/368129024.db2.gz ABZZZORYGHNWCS-HNNXBMFYSA-N 0 3 293.386 2.180 10 0 CEAEHN CN(CCN1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000176329023 368225500 /nfs/dbraw/zinc/22/55/00/368225500.db2.gz KTRXTLOWVYXHOU-INIZCTEOSA-N 0 3 285.395 2.051 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ncc(C)s1 ZINC000176266959 368218271 /nfs/dbraw/zinc/21/82/71/368218271.db2.gz NEWLARQVRHBJNF-NSHDSACASA-N 0 3 282.413 2.400 10 0 CEAEHN Cc1nc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C)s1 ZINC000178919974 368315122 /nfs/dbraw/zinc/31/51/22/368315122.db2.gz LRHVKXBPIFGAEO-JOYOIKCWSA-N 0 3 281.425 2.218 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](OC)c1ccccc1)N(C)C ZINC000178651730 368307789 /nfs/dbraw/zinc/30/77/89/368307789.db2.gz WXFTXHUTKYENER-GJZGRUSLSA-N 0 3 278.396 2.221 10 0 CEAEHN CC(C)(CN[C@@H]1CCOc2ccccc21)N1CCOCC1 ZINC000020120728 541654807 /nfs/dbraw/zinc/65/48/07/541654807.db2.gz AOXSAHNIDXUQDT-OAHLLOKOSA-N 0 3 290.407 2.211 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000163853989 541680765 /nfs/dbraw/zinc/68/07/65/541680765.db2.gz OAMSBSGGVREEMR-GXTWGEPZSA-N 0 3 296.386 2.206 10 0 CEAEHN CN(Cc1ccccc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000185845016 368871333 /nfs/dbraw/zinc/87/13/33/368871333.db2.gz PGWHXTNJMRUOLU-HNNXBMFYSA-N 0 3 273.380 2.018 10 0 CEAEHN COC1(C(=O)N[C@H](CC(C)C)CN(C)C)CCCCC1 ZINC000185717097 368848210 /nfs/dbraw/zinc/84/82/10/368848210.db2.gz QSNDCVDJKALUPM-CQSZACIVSA-N 0 3 284.444 2.428 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2cc(C)no2)C12CCOCC2 ZINC000186321419 368955606 /nfs/dbraw/zinc/95/56/06/368955606.db2.gz OMRXYIKJLJOJDZ-KGLIPLIRSA-N 0 3 280.368 2.047 10 0 CEAEHN Cc1ccn(C)c1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000188936331 369431316 /nfs/dbraw/zinc/43/13/16/369431316.db2.gz DZQPJKLUWNTJJT-HNNXBMFYSA-N 0 3 285.391 2.366 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000189551504 369537992 /nfs/dbraw/zinc/53/79/92/369537992.db2.gz QDQLNZVTWKZKAW-HUUCEWRRSA-N 0 3 299.418 2.122 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000246654972 370990750 /nfs/dbraw/zinc/99/07/50/370990750.db2.gz LLKGZIUXUYOULV-UTUOFQBUSA-N 0 3 258.431 2.246 10 0 CEAEHN Cc1ccnc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190449844 369625567 /nfs/dbraw/zinc/62/55/67/369625567.db2.gz PRBJSQPQXHSHLN-INIZCTEOSA-N 0 3 297.406 2.138 10 0 CEAEHN CC(C)(O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192462512 369816297 /nfs/dbraw/zinc/81/62/97/369816297.db2.gz HXVTXDZBPDWYGX-UHFFFAOYSA-N 0 3 279.355 2.491 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@H](C)c1ccnn1C ZINC000192249617 369785147 /nfs/dbraw/zinc/78/51/47/369785147.db2.gz YVOKFKFFVLEJQC-CHWSQXEVSA-N 0 3 252.406 2.047 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)[C@@H](C)c1cccnc1 ZINC000195203805 370114010 /nfs/dbraw/zinc/11/40/10/370114010.db2.gz QQANICQEUZYOJJ-ZFWWWQNUSA-N 0 3 266.385 2.252 10 0 CEAEHN CCCCOC[C@H](O)CN(C)[C@@H](C)c1cccnc1 ZINC000195203795 370114344 /nfs/dbraw/zinc/11/43/44/370114344.db2.gz QQANICQEUZYOJJ-DZGCQCFKSA-N 0 3 266.385 2.252 10 0 CEAEHN CC(C)n1nccc1CNC[C@@H]1CCCC[C@@H]1O ZINC000354424795 370356634 /nfs/dbraw/zinc/35/66/34/370356634.db2.gz TXFKUKUEFXYLSQ-JSGCOSHPSA-N 0 3 251.374 2.105 10 0 CEAEHN Cc1ccnc(N2C[C@H](C)NC[C@@H]2C)c1Br ZINC000235665476 370572238 /nfs/dbraw/zinc/57/22/38/370572238.db2.gz MQOAEAPTIYKYKL-UWVGGRQHSA-N 0 3 284.201 2.339 10 0 CEAEHN CCC[C@H](N)C(=O)NCC(C)(C)C(F)(F)CC ZINC000638601585 370630543 /nfs/dbraw/zinc/63/05/43/370630543.db2.gz ROVHRYUSMIRWGD-VIFPVBQESA-N 0 3 250.333 2.302 10 0 CEAEHN C[C@H](c1cccc(F)c1)N1CCO[C@@H](CN(C)C)C1 ZINC000247105978 371064243 /nfs/dbraw/zinc/06/42/43/371064243.db2.gz IRBCCNVQGVMGNS-DOMZBBRYSA-N 0 3 266.360 2.149 10 0 CEAEHN C[C@H](O)CN1CCN(CCc2ccccc2Cl)C[C@H]1C ZINC000247116365 371066315 /nfs/dbraw/zinc/06/63/15/371066315.db2.gz JFYFTCGYUVTWKM-KGLIPLIRSA-N 0 3 296.842 2.269 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)[C@H](C)Oc2ccccc2)[C@@H](C)C1 ZINC000247366607 371098599 /nfs/dbraw/zinc/09/85/99/371098599.db2.gz OWMCCCRJBJUECF-DZKIICNBSA-N 0 3 290.407 2.299 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247218920 371079055 /nfs/dbraw/zinc/07/90/55/371079055.db2.gz BNKJRFPXZMDIHW-RDBSUJKOSA-N 0 3 265.401 2.055 10 0 CEAEHN CCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCC1 ZINC000247362821 371098951 /nfs/dbraw/zinc/09/89/51/371098951.db2.gz OQRDKCZILUISOJ-CHWSQXEVSA-N 0 3 252.402 2.412 10 0 CEAEHN Cc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000247270967 371086225 /nfs/dbraw/zinc/08/62/25/371086225.db2.gz JWUFMCXVSRCZLB-HIFRSBDPSA-N 0 3 260.381 2.454 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(C)c2)CCN1C[C@H](C)O ZINC000247738355 371138996 /nfs/dbraw/zinc/13/89/96/371138996.db2.gz NFOQPDRYYLZYMR-DOTOQJQBSA-N 0 3 276.424 2.272 10 0 CEAEHN CCCCCCOCC(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000247468264 371112338 /nfs/dbraw/zinc/11/23/38/371112338.db2.gz RLHNVSKFHKWFAC-HUUCEWRRSA-N 0 3 282.428 2.278 10 0 CEAEHN C[C@H]1CN(CCc2ccccc2F)C[C@H]1N1CCOCC1 ZINC000248726357 371239268 /nfs/dbraw/zinc/23/92/68/371239268.db2.gz NDRYKEWPFLCIAN-WMLDXEAASA-N 0 3 292.398 2.021 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccnc(F)c1F ZINC000248795631 371246956 /nfs/dbraw/zinc/24/69/56/371246956.db2.gz YUSKAGNRWUJDAT-QWRGUYRKSA-N 0 3 295.333 2.059 10 0 CEAEHN CC(C)N(C(=O)[C@H](C)N[C@@H](C)[C@H]1CCCO1)C(C)C ZINC000248850055 371255640 /nfs/dbraw/zinc/25/56/40/371255640.db2.gz FAEQQAGSRXTAJB-MELADBBJSA-N 0 3 270.417 2.177 10 0 CEAEHN Cc1cnn(CCNCc2cc(C)c(O)c(C)c2)c1 ZINC000235948133 189831586 /nfs/dbraw/zinc/83/15/86/189831586.db2.gz WIRZZZLJAXQWMV-UHFFFAOYSA-N 0 3 259.353 2.304 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(C[C@@H](O)CC(F)(F)F)C2)c1 ZINC000248965115 371275442 /nfs/dbraw/zinc/27/54/42/371275442.db2.gz HCAQTUOMLGHCIJ-NEPJUHHUSA-N 0 3 291.317 2.142 10 0 CEAEHN C[C@@H]1CC[C@H](CN2C[C@@H](CO)[C@@H](c3ccsc3)C2)O1 ZINC000249139033 371300464 /nfs/dbraw/zinc/30/04/64/371300464.db2.gz VWXJCHWFUFFGRD-FAAHXZRKSA-N 0 3 281.421 2.323 10 0 CEAEHN CCN(C)c1ccc(CN[C@@H](C)[C@H]2CCCO2)cn1 ZINC000249692875 371353949 /nfs/dbraw/zinc/35/39/49/371353949.db2.gz XNDZIXVYCROGBU-GXTWGEPZSA-N 0 3 263.385 2.195 10 0 CEAEHN C[C@H]1CC(CCN2CCN(CCO)[C@@H](C)C2)C[C@H](C)C1 ZINC000249564170 371339000 /nfs/dbraw/zinc/33/90/00/371339000.db2.gz MNVDTXFMCSWWNV-OAGGEKHMSA-N 0 3 282.472 2.447 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC[C@H](C)[S@](C)=O)c1C ZINC000252729221 371474417 /nfs/dbraw/zinc/47/44/17/371474417.db2.gz FSEUBENAXBVQPO-ADWYPQAOSA-N 0 3 285.457 2.328 10 0 CEAEHN C[C@@H](CCCO)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000253562396 371528369 /nfs/dbraw/zinc/52/83/69/371528369.db2.gz DFIAPDWOPQOICF-LBPRGKRZSA-N 0 3 286.416 2.137 10 0 CEAEHN Clc1cnc(NC[C@@H]2NCCc3ccccc32)nc1 ZINC000261587104 371664242 /nfs/dbraw/zinc/66/42/42/371664242.db2.gz JFSJEGGMCDEBRK-ZDUSSCGKSA-N 0 3 274.755 2.429 10 0 CEAEHN CCc1nsc(NC[C@@H]2NCCc3ccccc32)n1 ZINC000261610216 371677822 /nfs/dbraw/zinc/67/78/22/371677822.db2.gz SILIAOYBNGHATP-LBPRGKRZSA-N 0 3 274.393 2.399 10 0 CEAEHN CC(C)CCC1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261701209 371705125 /nfs/dbraw/zinc/70/51/25/371705125.db2.gz BMHPITSWQIYKBX-INIZCTEOSA-N 0 3 296.455 2.415 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(Cc3cccc(N)c3)C2)no1 ZINC000261630094 371683085 /nfs/dbraw/zinc/68/30/85/371683085.db2.gz DNKDWHVOHHRMAT-CQSZACIVSA-N 0 3 286.379 2.415 10 0 CEAEHN Cc1sc2nc(C)nc(NC[C@@H]3CNCCO3)c2c1C ZINC000261650475 371692759 /nfs/dbraw/zinc/69/27/59/371692759.db2.gz DDVQXNGZNJPZTC-NSHDSACASA-N 0 3 292.408 2.017 10 0 CEAEHN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261875709 371758646 /nfs/dbraw/zinc/75/86/46/371758646.db2.gz UDYVNORPVHTQPB-ILXRZTDVSA-N 0 3 282.428 2.071 10 0 CEAEHN Fc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2COCCN2)c(F)c1 ZINC000261882711 371760764 /nfs/dbraw/zinc/76/07/64/371760764.db2.gz FNRFMISZRVNKRK-FVQBIDKESA-N 0 3 296.361 2.212 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262496501 371868460 /nfs/dbraw/zinc/86/84/60/371868460.db2.gz ZSEHGLNCRFYKAP-HRCADAONSA-N 0 3 290.407 2.459 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000262496499 371868629 /nfs/dbraw/zinc/86/86/29/371868629.db2.gz ZSEHGLNCRFYKAP-ARFHVFGLSA-N 0 3 290.407 2.459 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262730763 371902900 /nfs/dbraw/zinc/90/29/00/371902900.db2.gz BLMYOIPEQFUHNC-XRGAULLZSA-N 0 3 272.392 2.307 10 0 CEAEHN C/C(=C/c1nc([C@H]2CNCCN2C)no1)C(C)(C)C ZINC000263229787 371932618 /nfs/dbraw/zinc/93/26/18/371932618.db2.gz NFMPEHJCWDNGAW-HIJJYWJESA-N 0 3 264.373 2.095 10 0 CEAEHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CNCCOC1 ZINC000643620561 373224901 /nfs/dbraw/zinc/22/49/01/373224901.db2.gz AQSONRRQOIPUIO-GOEBONIOSA-N 0 3 290.407 2.050 10 0 CEAEHN CC[C@H](NC(=O)[C@H]1CNCCOC1)c1cccc(Cl)c1 ZINC000643633808 373227026 /nfs/dbraw/zinc/22/70/26/373227026.db2.gz SADWQBXEMRCEOU-JSGCOSHPSA-N 0 3 296.798 2.143 10 0 CEAEHN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CNCCOC1 ZINC000643633601 373227443 /nfs/dbraw/zinc/22/74/43/373227443.db2.gz NDPDYRLCNFANQJ-WCQYABFASA-N 0 3 296.798 2.095 10 0 CEAEHN C[C@@H](NC(=O)[C@H]1NCC1(C)C)c1ccc(F)c(F)c1 ZINC000644007407 373336033 /nfs/dbraw/zinc/33/60/33/373336033.db2.gz XKRHDGIXKIDGRD-PRHODGIISA-N 0 3 268.307 2.140 10 0 CEAEHN C[C@@H](NC(=O)[C@H]1CNCCC1(F)F)c1cccs1 ZINC000644016492 373340090 /nfs/dbraw/zinc/34/00/90/373340090.db2.gz XEWZOOVJYWSDPL-RKDXNWHRSA-N 0 3 274.336 2.170 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000644089457 373401140 /nfs/dbraw/zinc/40/11/40/373401140.db2.gz YFOJDPVNMWIFGU-RISCZKNCSA-N 0 3 276.380 2.179 10 0 CEAEHN CCc1ccc(-c2noc([C@H]3CNCCOC3)n2)cc1 ZINC000644511675 373504027 /nfs/dbraw/zinc/50/40/27/373504027.db2.gz NRTQNHHECPTDOE-ZDUSSCGKSA-N 0 3 273.336 2.002 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N(CC)CCC(F)(F)F ZINC000645815065 374203408 /nfs/dbraw/zinc/20/34/08/374203408.db2.gz YYDRCDBHLDBGRD-DTWKUNHWSA-N 0 3 254.296 2.161 10 0 CEAEHN CC(=O)c1nc(N2C[C@H](N(C)C)[C@@H](C)C2)sc1C ZINC000384128548 375208061 /nfs/dbraw/zinc/20/80/61/375208061.db2.gz KUBRZLHNZMDMSG-KWQFWETISA-N 0 3 267.398 2.040 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(C(F)F)cc1 ZINC000282247158 375438898 /nfs/dbraw/zinc/43/88/98/375438898.db2.gz GKPPJDGVGMQLKK-JOYOIKCWSA-N 0 3 268.307 2.381 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1cc(F)cc(F)c1 ZINC000282432282 375482822 /nfs/dbraw/zinc/48/28/22/375482822.db2.gz TZZHUMNVDNGEBJ-RVBZMBCESA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccccc1Cl ZINC000282471615 375492168 /nfs/dbraw/zinc/49/21/68/375492168.db2.gz UTSDMBXTNCMHAU-CABZTGNLSA-N 0 3 252.745 2.097 10 0 CEAEHN C[C@H]1[C@H](N2CCCNC2=O)CCN1Cc1ccccc1 ZINC000306716662 376553789 /nfs/dbraw/zinc/55/37/89/376553789.db2.gz BRZFYBHZSWVLAT-DZGCQCFKSA-N 0 3 273.380 2.065 10 0 CEAEHN OCC[C@H]1CCN(Cc2cnc3ccccc3c2)C1 ZINC000311276157 376661756 /nfs/dbraw/zinc/66/17/56/376661756.db2.gz HGUHIGCVOFQFIH-CYBMUJFWSA-N 0 3 256.349 2.439 10 0 CEAEHN CCN1CC[C@@H](N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448725 376851406 /nfs/dbraw/zinc/85/14/06/376851406.db2.gz COVSKAMFCOESCS-QWHCGFSZSA-N 0 3 278.396 2.449 10 0 CEAEHN CNc1c(Cl)ncnc1N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000302604775 379405080 /nfs/dbraw/zinc/40/50/80/379405080.db2.gz ZKBIECMTULOLOU-NXEZZACHSA-N 0 3 283.807 2.312 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000334745951 207005544 /nfs/dbraw/zinc/00/55/44/207005544.db2.gz LNWAILVPOJXFSF-XJKSGUPXSA-N 0 3 271.364 2.075 10 0 CEAEHN COc1ccc([C@H]2[C@H](N)CCC(=O)N2C(C)C)c(OC)c1 ZINC000070986576 184574332 /nfs/dbraw/zinc/57/43/32/184574332.db2.gz UAZBGGVWIKAMLI-CJNGLKHVSA-N 0 3 292.379 2.103 10 0 CEAEHN CNCc1c(C)nn(C)c1N1CCc2ccccc2CC1 ZINC000079573879 184593592 /nfs/dbraw/zinc/59/35/92/184593592.db2.gz RXWMQEYEZSUTJZ-UHFFFAOYSA-N 0 3 284.407 2.053 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](Sc1nnc(C)o1)C2 ZINC000092860684 184632317 /nfs/dbraw/zinc/63/23/17/184632317.db2.gz HCWBAMDTMJGMTK-RYUDHWBXSA-N 0 3 277.349 2.103 10 0 CEAEHN CC(C)(C)c1ncc(CN[C@H]2CCC[C@@H](O)C2)cn1 ZINC000388573848 542371010 /nfs/dbraw/zinc/37/10/10/542371010.db2.gz UMFCAENSIKGAJK-QWHCGFSZSA-N 0 3 263.385 2.167 10 0 CEAEHN CC(C)(C)c1ncc(CNCC[C@@H]2CCCO2)cn1 ZINC000388613274 542371394 /nfs/dbraw/zinc/37/13/94/542371394.db2.gz HJLNDMXGIAPSJF-ZDUSSCGKSA-N 0 3 263.385 2.433 10 0 CEAEHN CCc1nnc(CN2C[C@@H]3CCCN3C[C@@H]2CC)s1 ZINC000392153278 542375422 /nfs/dbraw/zinc/37/54/22/542375422.db2.gz ZREHTNMDDYJUGH-RYUDHWBXSA-N 0 3 280.441 2.159 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000177022901 285271813 /nfs/dbraw/zinc/27/18/13/285271813.db2.gz RCHHFVNXPFWNOA-CABCVRRESA-N 0 3 292.427 2.004 10 0 CEAEHN CC(C)(C)[C@H](N)CS(=O)(=O)c1cc(F)ccc1F ZINC000081946058 177906878 /nfs/dbraw/zinc/90/68/78/177906878.db2.gz DFLLQNFRSXYDFL-LLVKDONJSA-N 0 3 277.336 2.112 10 0 CEAEHN CCN(Cc1ccccc1)c1cccc(C(=N)N)n1 ZINC000081620421 177832600 /nfs/dbraw/zinc/83/26/00/177832600.db2.gz BLHAIUYJWMILBS-UHFFFAOYSA-N 0 3 254.337 2.392 10 0 CEAEHN C[C@@H]1CCC[C@@](N)(C(=O)N(C)Cc2ccoc2)C1 ZINC000080928419 177731236 /nfs/dbraw/zinc/73/12/36/177731236.db2.gz GLMJFHLKTWFKAH-RISCZKNCSA-N 0 3 250.342 2.146 10 0 CEAEHN CC[C@H]1CC[C@@](NCCN(CC)CC)(C(=O)OC)C1 ZINC000080467921 177656426 /nfs/dbraw/zinc/65/64/26/177656426.db2.gz IOBUDTIESHEDBP-ZFWWWQNUSA-N 0 3 270.417 2.040 10 0 CEAEHN CCc1ccc(OCC[C@@H]2CCC[C@]2(N)C(N)=O)cc1 ZINC000093624515 184697672 /nfs/dbraw/zinc/69/76/72/184697672.db2.gz GUXQHTYSILEGHD-XJKSGUPXSA-N 0 3 276.380 2.001 10 0 CEAEHN CCCNCc1ccc(OCCCOCC)cn1 ZINC000094210149 184762766 /nfs/dbraw/zinc/76/27/66/184762766.db2.gz ROGOPCDPTRRCEM-UHFFFAOYSA-N 0 3 252.358 2.387 10 0 CEAEHN Cc1cc(F)c([C@@H](N)C[C@@H](C)CC(N)=O)cc1F ZINC000094708331 184844867 /nfs/dbraw/zinc/84/48/67/184844867.db2.gz RGPUZXKYIVNIQF-KRTXAFLBSA-N 0 3 256.296 2.175 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cc(F)cc(Cl)c1 ZINC000282410475 195601774 /nfs/dbraw/zinc/60/17/74/195601774.db2.gz QEOJNXYIGATAIR-UFBFGSQYSA-N 0 3 270.735 2.236 10 0 CEAEHN Fc1cc(F)c(N2CCN[C@@H](C3CC3)C2)c(F)c1 ZINC000088724304 135056647 /nfs/dbraw/zinc/05/66/47/135056647.db2.gz YHWSILXWYZTDIJ-GFCCVEGCSA-N 0 3 256.271 2.292 10 0 CEAEHN C[C@H]1CC[C@H](C)N(c2ccc(CNC3CC3)nn2)C1 ZINC000088710957 135056678 /nfs/dbraw/zinc/05/66/78/135056678.db2.gz IFJZAKXCVQDDEL-RYUDHWBXSA-N 0 3 260.385 2.353 10 0 CEAEHN CCNCc1nc(C(C)C)ncc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907704 135066525 /nfs/dbraw/zinc/06/65/25/135066525.db2.gz LKVRDGAEPOLZBV-BETUJISGSA-N 0 3 290.411 2.077 10 0 CEAEHN CCCNCc1cncc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC000091421888 135069981 /nfs/dbraw/zinc/06/99/81/135069981.db2.gz AQJDMUQIJYBQSK-RYUDHWBXSA-N 0 3 280.441 2.306 10 0 CEAEHN CCNCc1cncc(N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000091422122 135069992 /nfs/dbraw/zinc/06/99/92/135069992.db2.gz DYMFVUXYSAOACA-SNVBAGLBSA-N 0 3 288.317 2.365 10 0 CEAEHN C[C@@H]1CN(C[C@H](O)COCc2ccccc2)C[C@H](C)S1 ZINC000070384746 394587113 /nfs/dbraw/zinc/58/71/13/394587113.db2.gz GLDUWTVWYYESIM-LZWOXQAQSA-N 0 3 295.448 2.390 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCC[C@@H]2C)C1 ZINC000246835445 394522535 /nfs/dbraw/zinc/52/25/35/394522535.db2.gz DXSWKKUAFRZSJG-RDBSUJKOSA-N 0 3 267.417 2.299 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCS[C@@H](C)[C@H]2C)C1 ZINC000247513891 394531903 /nfs/dbraw/zinc/53/19/03/394531903.db2.gz YOAJVDVMKJYMDH-MQYQWHSLSA-N 0 3 299.484 2.251 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCSC[C@@H](C)C2)C1 ZINC000248807497 394547606 /nfs/dbraw/zinc/54/76/06/394547606.db2.gz RVTQHJLYKSEIBX-BFHYXJOUSA-N 0 3 299.484 2.110 10 0 CEAEHN OC1CC(CNCc2ccccc2OC(F)(F)F)C1 ZINC000091423686 394657077 /nfs/dbraw/zinc/65/70/77/394657077.db2.gz BRLVNLPLGNDAJK-UHFFFAOYSA-N 0 3 275.270 2.446 10 0 CEAEHN Cc1oc2ccccc2c1CN[C@@H]1CCC(=O)N[C@@H]1C ZINC000281883582 394868133 /nfs/dbraw/zinc/86/81/33/394868133.db2.gz XKZGTGMXIMTZID-QMTHXVAHSA-N 0 3 272.348 2.498 10 0 CEAEHN CCN1CCC[C@H](Nc2ccc(C(=O)OC)c(C)n2)C1 ZINC000130264170 394884590 /nfs/dbraw/zinc/88/45/90/394884590.db2.gz KWJWYZKFTXNJIA-LBPRGKRZSA-N 0 3 277.368 2.073 10 0 CEAEHN CN(C)C[C@H]1CN([C@@H]2CCCc3ccc(F)cc32)CCO1 ZINC000132683863 394935869 /nfs/dbraw/zinc/93/58/69/394935869.db2.gz FOFWBDAMACBYAP-DOTOQJQBSA-N 0 3 292.398 2.466 10 0 CEAEHN Cc1cc(C)c(C(=O)N2CCO[C@H](CN(C)C)C2)c(C)c1 ZINC000153615491 395012248 /nfs/dbraw/zinc/01/22/48/395012248.db2.gz CIDFEOVFLQXYMH-OAHLLOKOSA-N 0 3 290.407 2.014 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H](C)C2CCCC2)C1 ZINC000172224121 395101575 /nfs/dbraw/zinc/10/15/75/395101575.db2.gz DKSGKUZFHIURLZ-JSGCOSHPSA-N 0 3 267.417 2.349 10 0 CEAEHN Cc1cnc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000177029322 395145157 /nfs/dbraw/zinc/14/51/57/395145157.db2.gz CDTGVDCZMCBCNL-GXSJLCMTSA-N 0 3 282.413 2.302 10 0 CEAEHN O[C@@H]1CC[C@H]2CN(CCOc3ccccc3F)C[C@H]2C1 ZINC000398929926 395240595 /nfs/dbraw/zinc/24/05/95/395240595.db2.gz OGAKJRHCMRTDSD-BFHYXJOUSA-N 0 3 279.355 2.297 10 0 CEAEHN CCN1CCC[C@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC000194631456 395444232 /nfs/dbraw/zinc/44/42/32/395444232.db2.gz DDHXJWUNHKMOMP-HNNXBMFYSA-N 0 3 290.407 2.283 10 0 CEAEHN CCCOc1ccc([C@H](C)NCCC(N)=O)cc1 ZINC000036746950 400113705 /nfs/dbraw/zinc/11/37/05/400113705.db2.gz TXWDICOCIJVCRD-NSHDSACASA-N 0 3 250.342 2.001 10 0 CEAEHN CNCC(=O)Nc1ccc(Br)cc1Cl ZINC000037389145 173172082 /nfs/dbraw/zinc/17/20/82/173172082.db2.gz XFOSILWJPVPNNN-UHFFFAOYSA-N 0 3 277.549 2.260 10 0 CEAEHN CCN1CCC[C@@H](NCc2nccn2-c2ccccc2)C1 ZINC000190851441 153148082 /nfs/dbraw/zinc/14/80/82/153148082.db2.gz YYUHKJLCIIRWTC-OAHLLOKOSA-N 0 3 284.407 2.446 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000193127893 153228341 /nfs/dbraw/zinc/22/83/41/153228341.db2.gz JWLMNVYZNXFRKH-KKUMJFAQSA-N 0 3 284.444 2.475 10 0 CEAEHN CSc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000195317279 153280498 /nfs/dbraw/zinc/28/04/98/153280498.db2.gz QTVWZPAZKOKFDF-ZDUSSCGKSA-N 0 3 276.405 2.329 10 0 CEAEHN O=C(Cc1ccc2c(c1)CCC2)N1CCN2CCC[C@H]2C1 ZINC000195317172 153282113 /nfs/dbraw/zinc/28/21/13/153282113.db2.gz NRJIVPZUWBVWGE-KRWDZBQOSA-N 0 3 284.403 2.024 10 0 CEAEHN CSc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195317269 153283203 /nfs/dbraw/zinc/28/32/03/153283203.db2.gz QTVWZPAZKOKFDF-CYBMUJFWSA-N 0 3 276.405 2.329 10 0 CEAEHN CC(C)CCSCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195337806 153286116 /nfs/dbraw/zinc/28/61/16/153286116.db2.gz ICIWYNUJEAZSCX-CYBMUJFWSA-N 0 3 270.442 2.072 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2C[C@@H](O)C2(C)C)c1C ZINC000228855493 153368999 /nfs/dbraw/zinc/36/89/99/153368999.db2.gz QJILSPOMNMVZIF-TVYUQYBPSA-N 0 3 265.401 2.330 10 0 CEAEHN CSc1ccccc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263299934 154052165 /nfs/dbraw/zinc/05/21/65/154052165.db2.gz WYANJQFTFNMXLZ-LLVKDONJSA-N 0 3 290.392 2.035 10 0 CEAEHN C[C@@H]1CCC[C@@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263461926 154095833 /nfs/dbraw/zinc/09/58/33/154095833.db2.gz BXJCGZKGZKCPHX-WPPJOMGTSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]1CCC[C@@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461926 154095837 /nfs/dbraw/zinc/09/58/37/154095837.db2.gz BXJCGZKGZKCPHX-WPPJOMGTSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@@H]1CCC[C@@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461926 154095845 /nfs/dbraw/zinc/09/58/45/154095845.db2.gz BXJCGZKGZKCPHX-WPPJOMGTSA-N 0 3 280.412 2.092 10 0 CEAEHN CC(C)OCCCN1CCC[C@@H]1c1cnn(C)c1 ZINC000171504303 165048201 /nfs/dbraw/zinc/04/82/01/165048201.db2.gz QPNGGNOWXUOJJL-CQSZACIVSA-N 0 3 251.374 2.372 10 0 CEAEHN CC[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1nccs1 ZINC000172617069 165059864 /nfs/dbraw/zinc/05/98/64/165059864.db2.gz OHCPZQFKYDXQQJ-NEPJUHHUSA-N 0 3 294.424 2.084 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC[C@@H]1CCCCO1 ZINC000177024029 165185824 /nfs/dbraw/zinc/18/58/24/165185824.db2.gz MATWUDMSMRSQHL-CABCVRRESA-N 0 3 282.428 2.278 10 0 CEAEHN Cn1cc([C@H]2CCN(Cc3cccc4nccn43)C2)cn1 ZINC000180330962 165305617 /nfs/dbraw/zinc/30/56/17/165305617.db2.gz AAHDIXNFMCFVOO-ZDUSSCGKSA-N 0 3 281.363 2.057 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C)o1)CC2 ZINC000180611457 165317882 /nfs/dbraw/zinc/31/78/82/165317882.db2.gz FFPSXZNKAJJDOV-VXGBXAGGSA-N 0 3 274.368 2.408 10 0 CEAEHN COCc1ccsc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000182375328 165370985 /nfs/dbraw/zinc/37/09/85/165370985.db2.gz YRQGEKMRNGSQDN-YPMHNXCESA-N 0 3 296.436 2.353 10 0 CEAEHN CN(C)C(=O)[C@H]1CCCN1CCCc1cccc(F)c1 ZINC000182635289 165375517 /nfs/dbraw/zinc/37/55/17/165375517.db2.gz HTEPNYGNKXZBDV-OAHLLOKOSA-N 0 3 278.371 2.311 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H]1CC(C)(C)OC1(C)C)N(C)C ZINC000183102698 165384046 /nfs/dbraw/zinc/38/40/46/165384046.db2.gz HAUZIOSUCRHGRI-NWDGAFQWSA-N 0 3 270.417 2.179 10 0 CEAEHN CN(C)CCSc1nccc(-c2cccn2C)n1 ZINC000006072429 170174065 /nfs/dbraw/zinc/17/40/65/170174065.db2.gz BAUNNMQIHMPUPR-UHFFFAOYSA-N 0 3 262.382 2.136 10 0 CEAEHN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](N)C(C)C)c1 ZINC000011958791 170462258 /nfs/dbraw/zinc/46/22/58/170462258.db2.gz FFCLULQCEPEZAR-NSHDSACASA-N 0 3 284.743 2.048 10 0 CEAEHN COc1cccc(NC(=O)c2cccc(CN)c2)c1 ZINC000019399779 170784380 /nfs/dbraw/zinc/78/43/80/170784380.db2.gz LOWFBUUSLRNOQV-UHFFFAOYSA-N 0 3 256.305 2.406 10 0 CEAEHN CN1CCC(NCc2nc3ccccc3s2)CC1 ZINC000020135963 171023401 /nfs/dbraw/zinc/02/34/01/171023401.db2.gz BNGJQRYNOUJECC-UHFFFAOYSA-N 0 3 261.394 2.480 10 0 CEAEHN [NH3+]Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1F ZINC000020189262 171054312 /nfs/dbraw/zinc/05/43/12/171054312.db2.gz XMWFWELWQDGOCQ-UHFFFAOYSA-N 0 3 298.314 2.224 10 0 CEAEHN Clc1ccccc1OCc1ncc2c(n1)CCNC2 ZINC000020383475 171173979 /nfs/dbraw/zinc/17/39/79/171173979.db2.gz AHZAGQPQFAEMSB-UHFFFAOYSA-N 0 3 275.739 2.355 10 0 CEAEHN CC(C)CNC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)N ZINC000020419494 171184336 /nfs/dbraw/zinc/18/43/36/171184336.db2.gz LLSKFRVYXHQLOK-VXGBXAGGSA-N 0 3 264.369 2.246 10 0 CEAEHN CCC[C@H](C)NS(=O)(=O)c1cccc([C@H](C)N)c1 ZINC000021814401 171331720 /nfs/dbraw/zinc/33/17/20/171331720.db2.gz KQOSHKJQDKOKIX-QWRGUYRKSA-N 0 3 270.398 2.173 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccc1CN)N1CCC(C)CC1 ZINC000022155317 171361808 /nfs/dbraw/zinc/36/18/08/171361808.db2.gz HHUCCTTVLCHESB-ZDUSSCGKSA-N 0 3 275.396 2.204 10 0 CEAEHN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1cccc(CN)c1 ZINC000022167405 171366385 /nfs/dbraw/zinc/36/63/85/171366385.db2.gz RAVURAOAWSXAPB-RYUDHWBXSA-N 0 3 282.409 2.097 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000022168381 171366967 /nfs/dbraw/zinc/36/69/67/171366967.db2.gz CFVQXHGAFNUKCZ-RULNRJAQSA-N 0 3 270.323 2.074 10 0 CEAEHN N[C@@H](CN1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000022562916 171391066 /nfs/dbraw/zinc/39/10/66/171391066.db2.gz CXDCXRFTAJGMRK-AWEZNQCLSA-N 0 3 276.380 2.334 10 0 CEAEHN COCCCNC1=NC[C@H](c2ccccc2)S1 ZINC000035295266 172106928 /nfs/dbraw/zinc/10/69/28/172106928.db2.gz SIUCAQYGZGONOX-GFCCVEGCSA-N 0 3 250.367 2.457 10 0 CEAEHN CC(C)NCc1c(N2CCCC2)nc2sccn12 ZINC000035429554 172197476 /nfs/dbraw/zinc/19/74/76/172197476.db2.gz CFMXHJVREYBVOP-UHFFFAOYSA-N 0 3 264.398 2.494 10 0 CEAEHN CNCc1c(Oc2cccnc2)nc2sccn12 ZINC000035430807 172199161 /nfs/dbraw/zinc/19/91/61/172199161.db2.gz XULNOQRALSHGOL-UHFFFAOYSA-N 0 3 260.322 2.303 10 0 CEAEHN CC[C@@H](C)N(CC)c1nc2sccn2c1CN ZINC000035430238 172199516 /nfs/dbraw/zinc/19/95/16/172199516.db2.gz XMXCWRREVARYKL-SECBINFHSA-N 0 3 252.387 2.479 10 0 CEAEHN CC[C@@H](C)NS(=O)(=O)c1cccc([C@H](C)NC)c1 ZINC000035632855 172315248 /nfs/dbraw/zinc/31/52/48/172315248.db2.gz ZMZRIPODIDKKCX-MNOVXSKESA-N 0 3 270.398 2.044 10 0 CEAEHN CCCN[C@@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760517 172398864 /nfs/dbraw/zinc/39/88/64/172398864.db2.gz BOTMFKMQMYGFSM-GFCCVEGCSA-N 0 3 253.367 2.295 10 0 CEAEHN N[C@@H](c1ccc(F)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000036892144 172784975 /nfs/dbraw/zinc/78/49/75/172784975.db2.gz BKYMXKGUULQUDZ-ZDUSSCGKSA-N 0 3 258.252 2.308 10 0 CEAEHN OCCN[C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037250664 173062814 /nfs/dbraw/zinc/06/28/14/173062814.db2.gz RYLSFTMRRJHBRJ-JTQLQIEISA-N 0 3 262.136 2.399 10 0 CEAEHN COC(=O)CCNCc1ccc(OC(F)(F)F)cc1 ZINC000037302292 173108349 /nfs/dbraw/zinc/10/83/49/173108349.db2.gz XTZWMPWRXSSIBW-UHFFFAOYSA-N 0 3 277.242 2.238 10 0 CEAEHN Cc1nc2sccn2c1CN[C@@H]1CCC[C@H](O)C1 ZINC000037321072 173121653 /nfs/dbraw/zinc/12/16/53/173121653.db2.gz DMUSPNCTUDJDIB-MNOVXSKESA-N 0 3 265.382 2.097 10 0 CEAEHN CC(=O)Nc1cccc(NC(=O)CNC2CCCC2)c1 ZINC000037386894 173171140 /nfs/dbraw/zinc/17/11/40/173171140.db2.gz UJGFBAAHKRRNIN-UHFFFAOYSA-N 0 3 275.352 2.116 10 0 CEAEHN COC(=O)CCCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000037417152 173194727 /nfs/dbraw/zinc/19/47/27/173194727.db2.gz CCYNMFCRSONZNB-NSHDSACASA-N 0 3 281.352 2.308 10 0 CEAEHN CCn1c2ccc(C)cc2nc1[C@H]1C[C@H](OC)CN1 ZINC000037438196 173208454 /nfs/dbraw/zinc/20/84/54/173208454.db2.gz ZGOXRROJKBDULC-WCQYABFASA-N 0 3 259.353 2.414 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc3cc(Cl)ccc3n2C)C1 ZINC000037440319 173210177 /nfs/dbraw/zinc/21/01/77/173210177.db2.gz BNIWGQPZZFRNTG-GXSJLCMTSA-N 0 3 265.744 2.276 10 0 CEAEHN O=C(CNC1CC1)N1CC=C(c2ccccc2)CC1 ZINC000037495217 173235174 /nfs/dbraw/zinc/23/51/74/173235174.db2.gz RIGJNABURHQDTD-UHFFFAOYSA-N 0 3 256.349 2.054 10 0 CEAEHN CCN(CC)C[C@@H]1CN(C(=O)c2ccc(C)cc2)CCO1 ZINC000037545234 173264239 /nfs/dbraw/zinc/26/42/39/173264239.db2.gz VQQJXRPXEBBDKK-MRXNPFEDSA-N 0 3 290.407 2.178 10 0 CEAEHN COc1cccc([C@H](NC2CCCCC2)C(N)=O)c1 ZINC000037969748 173918137 /nfs/dbraw/zinc/91/81/37/173918137.db2.gz VRSNNIRQKXVIKK-AWEZNQCLSA-N 0 3 262.353 2.144 10 0 CEAEHN CCCN1CCC(N[C@H](C)CC)(C(=O)OCC)CC1 ZINC000038067403 174078900 /nfs/dbraw/zinc/07/89/00/174078900.db2.gz HHDFRHKCVIRFHZ-CYBMUJFWSA-N 0 3 270.417 2.182 10 0 CEAEHN CSCC[C@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000040462490 174271656 /nfs/dbraw/zinc/27/16/56/174271656.db2.gz PMKCKXRSTPAAAE-JTQLQIEISA-N 0 3 296.392 2.213 10 0 CEAEHN COC(=O)C[C@@H](C)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491084 174292555 /nfs/dbraw/zinc/29/25/55/174292555.db2.gz LHQOARUMXRQGBM-GHMZBOCLSA-N 0 3 281.352 2.306 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000040630244 174358013 /nfs/dbraw/zinc/35/80/13/174358013.db2.gz ZWLZGWPVQPSQHU-ZIAGYGMSSA-N 0 3 262.353 2.125 10 0 CEAEHN COc1ccc(C)cc1-c1c[nH]c([C@@H]2C[C@@H](OC)CN2)n1 ZINC000040637857 174361637 /nfs/dbraw/zinc/36/16/37/174361637.db2.gz BAVDSWXRZJJUBU-YPMHNXCESA-N 0 3 287.363 2.443 10 0 CEAEHN C[C@H](NC(C)(C)C(N)=O)c1ccc(Br)cc1 ZINC000040674049 174372382 /nfs/dbraw/zinc/37/23/82/174372382.db2.gz DSJDTSFWKBNIPK-QMMMGPOBSA-N 0 3 285.185 2.364 10 0 CEAEHN CCOC1CCN(CCOc2ccccc2N)CC1 ZINC000040678366 174374178 /nfs/dbraw/zinc/37/41/78/174374178.db2.gz SQVSUKCBXWPBHY-UHFFFAOYSA-N 0 3 264.369 2.149 10 0 CEAEHN CCOC1CCN([C@H](CN)c2ccccc2F)CC1 ZINC000040678721 174374918 /nfs/dbraw/zinc/37/49/18/174374918.db2.gz WAMDHQUZJROPKG-OAHLLOKOSA-N 0 3 266.360 2.326 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2ccccc2OC)CC1 ZINC000040689121 174375960 /nfs/dbraw/zinc/37/59/60/174375960.db2.gz WBNXEWOIPIYCCH-HNNXBMFYSA-N 0 3 278.396 2.196 10 0 CEAEHN C[C@H]1CCN([C@@H](CN)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000040717379 174385026 /nfs/dbraw/zinc/38/50/26/174385026.db2.gz ATZNDUCDQGMQLJ-GWCFXTLKSA-N 0 3 296.798 2.453 10 0 CEAEHN C[C@@H]1CCN(c2nc3ccccn3c2CNC2CC2)C1 ZINC000040723777 174385975 /nfs/dbraw/zinc/38/59/75/174385975.db2.gz KHPZOSVFNPPIMU-GFCCVEGCSA-N 0 3 270.380 2.433 10 0 CEAEHN CCCc1ccc([C@H](N)CN2C(=O)C[C@H](C)C2=O)cc1 ZINC000040739763 174390705 /nfs/dbraw/zinc/39/07/05/174390705.db2.gz RUTVBAPBUFNDAH-SMDDNHRTSA-N 0 3 274.364 2.034 10 0 CEAEHN Cc1cc(C)c(Cn2cc(C(C)(C)N)nn2)c(C)c1 ZINC000070118680 414766023 /nfs/dbraw/zinc/76/60/23/414766023.db2.gz YDGIRMKKKHLTHK-UHFFFAOYSA-N 0 3 258.369 2.445 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)N(C)[C@@H](CN)C(F)(F)F)C1 ZINC000662976514 414816682 /nfs/dbraw/zinc/81/66/82/414816682.db2.gz GALUPSVXRPPYSH-BBBLOLIVSA-N 0 3 266.307 2.161 10 0 CEAEHN CC(C)(C)N1CCN([C@H](CN)c2cccs2)CC1 ZINC000042308594 174681107 /nfs/dbraw/zinc/68/11/07/174681107.db2.gz PRSNQVVHHJBYDO-GFCCVEGCSA-N 0 3 267.442 2.164 10 0 CEAEHN COc1c(CNC[C@@H]2CCC[C@H]3C[C@H]32)c(C)nn1C ZINC000657657872 415037569 /nfs/dbraw/zinc/03/75/69/415037569.db2.gz UOFXVCITTWGLSJ-RWMBFGLXSA-N 0 3 263.385 2.263 10 0 CEAEHN CC(C)c1ccc([C@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000043299985 175001116 /nfs/dbraw/zinc/00/11/16/175001116.db2.gz GJRJCSBBFCJVKF-KGLIPLIRSA-N 0 3 267.394 2.245 10 0 CEAEHN CCOC1CCN([C@H](c2ccco2)[C@H](C)N)CC1 ZINC000043335490 175011214 /nfs/dbraw/zinc/01/12/14/175011214.db2.gz DOOSJNDQYWAEFC-FZMZJTMJSA-N 0 3 252.358 2.169 10 0 CEAEHN NC[C@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccccn1 ZINC000043341770 175015062 /nfs/dbraw/zinc/01/50/62/175015062.db2.gz UMEBOJJTZRLWGK-HNNXBMFYSA-N 0 3 283.331 2.045 10 0 CEAEHN NC[C@H](OCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000043342824 175015689 /nfs/dbraw/zinc/01/56/89/175015689.db2.gz HHDFYJZCJJRMPT-HNNXBMFYSA-N 0 3 272.304 2.027 10 0 CEAEHN NC[C@@H](c1cccnc1)N1CCC[C@@H]1c1ccncc1 ZINC000043346747 175017311 /nfs/dbraw/zinc/01/73/11/175017311.db2.gz BJUVIZDJIIMZQX-CVEARBPZSA-N 0 3 268.364 2.314 10 0 CEAEHN CN(Cc1ccc(F)cc1)[C@@H](CN)c1ccncc1 ZINC000043353575 175021011 /nfs/dbraw/zinc/02/10/11/175021011.db2.gz SSFCHCOZCWXGQG-HNNXBMFYSA-N 0 3 259.328 2.353 10 0 CEAEHN Cc1ccc([C@H]([C@@H](C)N)N(C)CC(F)(F)F)o1 ZINC000043364513 175025921 /nfs/dbraw/zinc/02/59/21/175025921.db2.gz QGKQUQYIWJXEPX-SCZZXKLOSA-N 0 3 250.264 2.470 10 0 CEAEHN OC[C@@H](NC[C@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391483 175034108 /nfs/dbraw/zinc/03/41/08/175034108.db2.gz WHDJQHYGRHGBTG-ZWNOBZJWSA-N 0 3 273.735 2.281 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1cc(C)cc(C)c1 ZINC000043394196 175034806 /nfs/dbraw/zinc/03/48/06/175034806.db2.gz YOAANWQHGWGEGJ-HOTGVXAUSA-N 0 3 262.397 2.414 10 0 CEAEHN CCC(CC)N(CCOC)c1nc(C)ccc1CN ZINC000043396018 175035488 /nfs/dbraw/zinc/03/54/88/175035488.db2.gz WWWJLSWJHWJPML-UHFFFAOYSA-N 0 3 265.401 2.490 10 0 CEAEHN CNCc1c(C)nn(Cc2ccccc2OC)c1C ZINC000043457545 175050201 /nfs/dbraw/zinc/05/02/01/175050201.db2.gz AYUYHCIEECNEEZ-UHFFFAOYSA-N 0 3 259.353 2.276 10 0 CEAEHN CN[C@@H](CN1CCC(OC)CC1)c1ccccc1OC ZINC000043889924 175117656 /nfs/dbraw/zinc/11/76/56/175117656.db2.gz PLYIPCAXFMJNDP-HNNXBMFYSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOc1ccc([C@@H](CN2CCOC[C@@H]2C)NC)cc1 ZINC000043891111 175117977 /nfs/dbraw/zinc/11/79/77/175117977.db2.gz MXUPIUCROVFQIJ-XJKSGUPXSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](CN1CCOCC1(C)C)c1ccc(OC)cc1 ZINC000043916686 175125782 /nfs/dbraw/zinc/12/57/82/175125782.db2.gz QGLOTQROTCYPMG-OAHLLOKOSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](CN(C)C[C@@H]1CCCCO1)c1ccc(OC)cc1 ZINC000043966413 175127956 /nfs/dbraw/zinc/12/79/56/175127956.db2.gz DFWUIUQFSPBHFS-DLBZAZTESA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H](CN(C)[C@@H](C)COC)c1ccc2c(c1)OCO2 ZINC000043969215 175130696 /nfs/dbraw/zinc/13/06/96/175130696.db2.gz YWNATQJCDWWEIM-JSGCOSHPSA-N 0 3 294.395 2.033 10 0 CEAEHN CCCc1ccc([C@@H](O)CN(CCOC)CCOC)cc1 ZINC000044177061 175149746 /nfs/dbraw/zinc/14/97/46/175149746.db2.gz SMVHXPHJXXYOJJ-KRWDZBQOSA-N 0 3 295.423 2.267 10 0 CEAEHN CCOC(=O)CCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000044299241 175161406 /nfs/dbraw/zinc/16/14/06/175161406.db2.gz BIAKIJACKKYZKW-NSHDSACASA-N 0 3 279.336 2.062 10 0 CEAEHN Cc1cccc(NC(=O)[C@@H](CN)Cc2ccccc2)n1 ZINC000044799246 175255125 /nfs/dbraw/zinc/25/51/25/175255125.db2.gz HKSRTYOZKBEVNU-CQSZACIVSA-N 0 3 269.348 2.146 10 0 CEAEHN CCN(C(=O)[C@@H](N)CCSC)c1cccc(F)c1 ZINC000044880604 175269398 /nfs/dbraw/zinc/26/93/98/175269398.db2.gz CEISCDZCWVKRPP-LBPRGKRZSA-N 0 3 270.373 2.259 10 0 CEAEHN CCN[C@H]1CCN(CC2CCC(CC)CC2)C1=O ZINC000044995026 175287414 /nfs/dbraw/zinc/28/74/14/175287414.db2.gz KDBVNSMRXOESMC-RUXDESIVSA-N 0 3 252.402 2.413 10 0 CEAEHN O=C([C@H]1CCCCN1)N1CCC[C@H]1C1CCCC1 ZINC000045088281 175304160 /nfs/dbraw/zinc/30/41/60/175304160.db2.gz RIDPXMVTWJXVAR-KGLIPLIRSA-N 0 3 250.386 2.310 10 0 CEAEHN C[C@@H](CN1C(=S)N=NC1c1cccs1)N(C)C ZINC000045108452 175308931 /nfs/dbraw/zinc/30/89/31/175308931.db2.gz NKLTUSPQKCFMMX-QMMMGPOBSA-N 0 3 268.411 2.245 10 0 CEAEHN CC[C@@H](N)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138173 175314452 /nfs/dbraw/zinc/31/44/52/175314452.db2.gz BNBPGHXBRXHKGO-OLZOCXBDSA-N 0 3 282.409 2.173 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@H]2CCN(C3CC3)C2)c1C ZINC000045172780 175322475 /nfs/dbraw/zinc/32/24/75/175322475.db2.gz QJLGGUQMFLZATF-RISCZKNCSA-N 0 3 276.428 2.407 10 0 CEAEHN CCCCN(C)C[C@](NC(C)C)(C(N)=O)c1ccccc1 ZINC000045221946 175330742 /nfs/dbraw/zinc/33/07/42/175330742.db2.gz MDVBTMFVPKRKRS-QGZVFWFLSA-N 0 3 291.439 2.097 10 0 CEAEHN CCN[C@@](C)(CN1CCCCCCC1)C(=O)OCC ZINC000045223667 175331213 /nfs/dbraw/zinc/33/12/13/175331213.db2.gz GQECBSBJQKNTOP-HNNXBMFYSA-N 0 3 270.417 2.184 10 0 CEAEHN CCCCN(CC)C[C@](C)(NC(C)C)C(=O)OC ZINC000045223311 175331481 /nfs/dbraw/zinc/33/14/81/175331481.db2.gz OKQBYWKWQXBZSW-AWEZNQCLSA-N 0 3 258.406 2.038 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCCC[C@@H]1C)NC(C)C ZINC000045226991 175333281 /nfs/dbraw/zinc/33/32/81/175333281.db2.gz WHWQXQIFYVJKQY-DZGCQCFKSA-N 0 3 270.417 2.181 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCCCCC1)NC(C)C ZINC000045228803 175334378 /nfs/dbraw/zinc/33/43/78/175334378.db2.gz QRUOKHBYASHFIN-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCCCN(C)C[C@@](C)(NCCC)C(=O)OCC ZINC000045268151 175340371 /nfs/dbraw/zinc/34/03/71/175340371.db2.gz ZPGWIZACOBWUPF-OAHLLOKOSA-N 0 3 272.433 2.430 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN(C)CC(C)(C)C)C(=O)[O-] ZINC000045279363 175349567 /nfs/dbraw/zinc/34/95/67/175349567.db2.gz ZMTRKGVJUSGLDT-AWEZNQCLSA-N 0 3 258.406 2.196 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCC(CC)CC1)NC1CC1 ZINC000045281406 175351953 /nfs/dbraw/zinc/35/19/53/175351953.db2.gz ZLARQZNGBHHJEG-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCC1CCN(CC[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000045281424 175352198 /nfs/dbraw/zinc/35/21/98/175352198.db2.gz BJDPEVNOIGRFBP-HNNXBMFYSA-N 0 3 268.401 2.094 10 0 CEAEHN CCC1CC[NH+](CC[C@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000045281424 175352199 /nfs/dbraw/zinc/35/21/99/175352199.db2.gz BJDPEVNOIGRFBP-HNNXBMFYSA-N 0 3 268.401 2.094 10 0 CEAEHN CCN[C@@](C)(CCN1CCC(CC)CC1)C(=O)OCC ZINC000045281452 175352448 /nfs/dbraw/zinc/35/24/48/175352448.db2.gz HQOOVAPNCHDWGL-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCCN(CC)C[C@H](NCCC)C(=O)OCC ZINC000045370299 175363976 /nfs/dbraw/zinc/36/39/76/175363976.db2.gz SOEZDCJWQDKJLW-ZDUSSCGKSA-N 0 3 258.406 2.040 10 0 CEAEHN CCCN[C@@H](CN(CC)C1CCCC1)C(=O)OCC ZINC000045390345 175374988 /nfs/dbraw/zinc/37/49/88/175374988.db2.gz BTHNYECNMLVRAW-AWEZNQCLSA-N 0 3 270.417 2.182 10 0 CEAEHN COc1ccc([C@@H](C)NC2CC(CO)C2)cc1F ZINC000658352492 415332850 /nfs/dbraw/zinc/33/28/50/415332850.db2.gz XNNDLTDYDHEVOE-GRZMOONWSA-N 0 3 253.317 2.256 10 0 CEAEHN C[C@@H](N)c1csc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC000070846606 176008662 /nfs/dbraw/zinc/00/86/62/176008662.db2.gz JEOLQBSKPPSWSR-XHNCKOQMSA-N 0 3 257.428 2.493 10 0 CEAEHN CCCN[C@@H]1CCCN(c2ccsc2C(=O)OC)C1=O ZINC000071032489 176023696 /nfs/dbraw/zinc/02/36/96/176023696.db2.gz WRBVTHWUKDVJJU-SNVBAGLBSA-N 0 3 296.392 2.030 10 0 CEAEHN CCN[C@H]1CCCN(c2nc(C(C)C)cs2)C1=O ZINC000071033803 176024456 /nfs/dbraw/zinc/02/44/56/176024456.db2.gz XBFRNOCLOFRKGO-JTQLQIEISA-N 0 3 267.398 2.371 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc(Br)cc1 ZINC000071035502 176025315 /nfs/dbraw/zinc/02/53/15/176025315.db2.gz PKOGYELPPCIXNT-GFCCVEGCSA-N 0 3 295.180 2.306 10 0 CEAEHN CCc1cccc(C)c1N1CC[C@H](NC2CC2)C1=O ZINC000071035855 176025419 /nfs/dbraw/zinc/02/54/19/176025419.db2.gz SOIKKKGETDARPO-AWEZNQCLSA-N 0 3 258.365 2.415 10 0 CEAEHN Cc1nc(N2CCC[C@H](NC(C)C)C2=O)sc1C ZINC000071037177 176025856 /nfs/dbraw/zinc/02/58/56/176025856.db2.gz QFVWYWCWJGGTEH-NSHDSACASA-N 0 3 267.398 2.253 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc2c(c1)CCC2 ZINC000071037841 176026363 /nfs/dbraw/zinc/02/63/63/176026363.db2.gz FISVMTQZWGVVCI-HNNXBMFYSA-N 0 3 256.349 2.033 10 0 CEAEHN CCCc1ccc(N2CC[C@H](NC3CC3)C2=O)cc1 ZINC000071039718 176027135 /nfs/dbraw/zinc/02/71/35/176027135.db2.gz XRWJCEPQBORONW-HNNXBMFYSA-N 0 3 258.365 2.496 10 0 CEAEHN COc1ccc(N2CC[C@H](NC(C)C)C2=O)c(C)c1 ZINC000071042608 176028398 /nfs/dbraw/zinc/02/83/98/176028398.db2.gz SGQJEZSIQJNUCM-ZDUSSCGKSA-N 0 3 262.353 2.107 10 0 CEAEHN CCN[C@H]1CCCN(c2cc(F)c(F)c(F)c2)C1=O ZINC000071042887 176029062 /nfs/dbraw/zinc/02/90/62/176029062.db2.gz JUUIKXPEMJYLBN-NSHDSACASA-N 0 3 272.270 2.209 10 0 CEAEHN C[C@@H](Cn1ccnc1)NC[C@@H]1OCCc2ccccc21 ZINC000071090884 176031171 /nfs/dbraw/zinc/03/11/71/176031171.db2.gz FXXVMILERCASHJ-BBRMVZONSA-N 0 3 271.364 2.175 10 0 CEAEHN Cc1noc(C)c1CN[C@]1(CO)CCC[C@@H](C)C1 ZINC000071137725 176036427 /nfs/dbraw/zinc/03/64/27/176036427.db2.gz GFIWVNPTHAIZOL-QMTHXVAHSA-N 0 3 252.358 2.322 10 0 CEAEHN C[C@H]1CCC[C@H](N(CC(N)=O)Cc2cccc(N)c2)C1 ZINC000071150522 176045197 /nfs/dbraw/zinc/04/51/97/176045197.db2.gz LNCJUSDLAQFNAT-WFASDCNBSA-N 0 3 275.396 2.135 10 0 CEAEHN C[C@H](Cn1cccn1)N1Cc2ccc(F)cc2C1=N ZINC000071268861 176102485 /nfs/dbraw/zinc/10/24/85/176102485.db2.gz QKKYDOBKJKEBOE-SNVBAGLBSA-N 0 3 258.300 2.252 10 0 CEAEHN C[C@@H](c1cccs1)N(C)CCn1ccc(N)n1 ZINC000071378060 176142828 /nfs/dbraw/zinc/14/28/28/176142828.db2.gz SJUFXMSYORGFJW-JTQLQIEISA-N 0 3 250.371 2.220 10 0 CEAEHN COC(=O)[C@H](C)Oc1ccc(C)cc1CNC(C)C ZINC000071406486 176156040 /nfs/dbraw/zinc/15/60/40/176156040.db2.gz VMPKYZZFJPMSLO-LBPRGKRZSA-N 0 3 265.353 2.433 10 0 CEAEHN COCCNCc1cc(C)ccc1OCC(=O)OC(C)C ZINC000071407404 176156467 /nfs/dbraw/zinc/15/64/67/176156467.db2.gz PGMALOCSCOQUQX-UHFFFAOYSA-N 0 3 295.379 2.061 10 0 CEAEHN COc1ccc(I)cc1[C@@H](C)N ZINC000071463197 176179695 /nfs/dbraw/zinc/17/96/95/176179695.db2.gz UBDDSAAEFIGMMU-ZCFIWIBFSA-N 0 3 277.105 2.320 10 0 CEAEHN COc1ccc2c(ccn(CCN3CCCCC3)c2=O)c1 ZINC000071503235 176192959 /nfs/dbraw/zinc/19/29/59/176192959.db2.gz ROQDPRRTINLNCY-UHFFFAOYSA-N 0 3 286.375 2.496 10 0 CEAEHN Cc1cc2c([nH]c(SC3CCN(C)CC3)nc2=O)s1 ZINC000071514825 176193453 /nfs/dbraw/zinc/19/34/53/176193453.db2.gz NXGKPOAELPGQRW-UHFFFAOYSA-N 0 3 295.433 2.479 10 0 CEAEHN CN[C@H](C(=O)c1cc(OC)ccc1OC)C(C)C ZINC000071573097 176199742 /nfs/dbraw/zinc/19/97/42/176199742.db2.gz PENQBKRQNWQOEH-ZDUSSCGKSA-N 0 3 251.326 2.131 10 0 CEAEHN CN[C@@H](C(=O)c1ccc(OC)c(C)c1OC)C(C)C ZINC000071597835 176221606 /nfs/dbraw/zinc/22/16/06/176221606.db2.gz QCHWAMCVHNAEEJ-CYBMUJFWSA-N 0 3 265.353 2.439 10 0 CEAEHN CN(c1ccc2c(c1)CCN2C)C1CCN(C)CC1 ZINC000071711307 176248686 /nfs/dbraw/zinc/24/86/86/176248686.db2.gz MQAFASCELMSEIU-UHFFFAOYSA-N 0 3 259.397 2.209 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662348960 415796959 /nfs/dbraw/zinc/79/69/59/415796959.db2.gz YZKYZOGNQCLILP-SECBINFHSA-N 0 3 252.383 2.168 10 0 CEAEHN C[C@H](CS(C)(=O)=O)Nc1ccnc2ccccc21 ZINC000078637823 177362944 /nfs/dbraw/zinc/36/29/44/177362944.db2.gz ZNJHECLHYIJNGD-SNVBAGLBSA-N 0 3 264.350 2.080 10 0 CEAEHN CC(C)[C@H]1CCC(=O)N(Cc2ccnc(CN)c2)CC1 ZINC000079248347 177456670 /nfs/dbraw/zinc/45/66/70/177456670.db2.gz RNEHHXLTLBMSEI-AWEZNQCLSA-N 0 3 275.396 2.325 10 0 CEAEHN Cc1noc(C)c1[C@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000136187255 419441280 /nfs/dbraw/zinc/44/12/80/419441280.db2.gz ZACCRUDDBHCTBZ-XPTSAGLGSA-N 0 3 265.357 2.001 10 0 CEAEHN COCc1nc(CNC[C@@H]2C[C@H](C)O[C@H]2C)cs1 ZINC000666429314 419664649 /nfs/dbraw/zinc/66/46/49/419664649.db2.gz PKVCKTHNPNILBB-DCAQKATOSA-N 0 3 270.398 2.193 10 0 CEAEHN CCC[C@@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000187683479 270255449 /nfs/dbraw/zinc/25/54/49/270255449.db2.gz UYLPJTNQLUVOGG-CYBMUJFWSA-N 0 3 278.400 2.186 10 0 CEAEHN CCC[C@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000187682991 270255692 /nfs/dbraw/zinc/25/56/92/270255692.db2.gz JXZNEQMRVHFYQW-RYUDHWBXSA-N 0 3 266.389 2.245 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)c2ccc(F)cc2)C1 ZINC000194170116 270293508 /nfs/dbraw/zinc/29/35/08/270293508.db2.gz FRXQLKQGPITULV-CYBMUJFWSA-N 0 3 279.359 2.456 10 0 CEAEHN CCc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)nc1 ZINC000398758268 270362469 /nfs/dbraw/zinc/36/24/69/270362469.db2.gz AQNQFBOTDLOTCH-OFQRWUPVSA-N 0 3 260.381 2.237 10 0 CEAEHN CCc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)nc1 ZINC000398758263 270362552 /nfs/dbraw/zinc/36/25/52/270362552.db2.gz AQNQFBOTDLOTCH-DZKIICNBSA-N 0 3 260.381 2.237 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399094940 270366057 /nfs/dbraw/zinc/36/60/57/270366057.db2.gz XYCJJLPQYUFNEE-NHYWBVRUSA-N 0 3 276.380 2.308 10 0 CEAEHN CC(C)C[C@@H](CO)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000040776321 273517021 /nfs/dbraw/zinc/51/70/21/273517021.db2.gz WZBPADHDLRSANK-JSGCOSHPSA-N 0 3 276.380 2.091 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000236988615 273617400 /nfs/dbraw/zinc/61/74/00/273617400.db2.gz PFBYIVCJJAIVES-ZIAGYGMSSA-N 0 3 264.344 2.447 10 0 CEAEHN COc1ccc2c(C)nc(N3CCN4CCC[C@@H]4C3)nc2c1 ZINC000067770238 274120867 /nfs/dbraw/zinc/12/08/67/274120867.db2.gz KDESNRZSJXXJNE-CYBMUJFWSA-N 0 3 298.390 2.231 10 0 CEAEHN CC(C)C[C@H](CO)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000040776323 275597135 /nfs/dbraw/zinc/59/71/35/275597135.db2.gz WZBPADHDLRSANK-OCCSQVGLSA-N 0 3 276.380 2.091 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@@H]2CCc3ccccc32)[C@@H]1OC ZINC000131393606 276353848 /nfs/dbraw/zinc/35/38/48/276353848.db2.gz JLQVNVVSJVXIOO-QXSJWSMHSA-N 0 3 261.365 2.456 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H]1CCC=CO1 ZINC000248824573 277105542 /nfs/dbraw/zinc/10/55/42/277105542.db2.gz FUJIBLNRUMOTIZ-YJNKXOJESA-N 0 3 279.380 2.485 10 0 CEAEHN CC(C)CCNCc1cccnc1N1CCOCC1 ZINC000236731983 277356484 /nfs/dbraw/zinc/35/64/84/277356484.db2.gz ZROOHMCCJDCEMA-UHFFFAOYSA-N 0 3 263.385 2.054 10 0 CEAEHN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2N)c1 ZINC000035571723 278022271 /nfs/dbraw/zinc/02/22/71/278022271.db2.gz DIPGATWUKWINFF-KGLIPLIRSA-N 0 3 292.379 2.357 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1N(C)C ZINC000180581712 278376661 /nfs/dbraw/zinc/37/66/61/278376661.db2.gz XUIOXFGAPKRHFA-CHWSQXEVSA-N 0 3 285.395 2.010 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H]1CCOc2ccccc21)N(C)C ZINC000154172207 278856230 /nfs/dbraw/zinc/85/62/30/278856230.db2.gz BSRSZEUEENFBBO-HIFRSBDPSA-N 0 3 290.407 2.399 10 0 CEAEHN Cc1nc(C)c([C@H](C)N[C@H]2CCc3ncnn3C2)s1 ZINC000180586078 279079539 /nfs/dbraw/zinc/07/95/39/279079539.db2.gz WHXGENYDXQFKLC-ONGXEEELSA-N 0 3 277.397 2.017 10 0 CEAEHN C[C@@H](Cc1ccccc1)CN1CCCNC(=O)[C@H]1C ZINC000189093862 280142689 /nfs/dbraw/zinc/14/26/89/280142689.db2.gz DEXWWBPJJLAQKA-UONOGXRCSA-N 0 3 260.381 2.076 10 0 CEAEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(Cl)c(F)c1 ZINC000215000797 280208564 /nfs/dbraw/zinc/20/85/64/280208564.db2.gz JZHBFVRDGJQZRE-PWSUYJOCSA-N 0 3 286.778 2.460 10 0 CEAEHN COC[C@H](C)OC[C@H](O)CN[C@@H](C)c1cccc(C)c1 ZINC000234846120 280220909 /nfs/dbraw/zinc/22/09/09/280220909.db2.gz OUCIVPUMSFOMLU-OFQRWUPVSA-N 0 3 281.396 2.058 10 0 CEAEHN Cc1c([C@@H](C)N[C@@H]2CCc3ncnn3C2)cnn1C(C)C ZINC000191357319 280252980 /nfs/dbraw/zinc/25/29/80/280252980.db2.gz OCKMHVLCGFJPCH-DGCLKSJQSA-N 0 3 288.399 2.030 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H](C)[C@H]2C)C1 ZINC000246477441 280296341 /nfs/dbraw/zinc/29/63/41/280296341.db2.gz VPSOIDRXHQLFLP-MJBXVCDLSA-N 0 3 267.417 2.301 10 0 CEAEHN Cc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1[O-] ZINC000246487641 280296810 /nfs/dbraw/zinc/29/68/10/280296810.db2.gz QZOSPKCAEAEDDW-OCCSQVGLSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[O-] ZINC000246487641 280296812 /nfs/dbraw/zinc/29/68/12/280296812.db2.gz QZOSPKCAEAEDDW-OCCSQVGLSA-N 0 3 276.380 2.159 10 0 CEAEHN CCc1ncc(C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)s1 ZINC000246864836 280312708 /nfs/dbraw/zinc/31/27/08/280312708.db2.gz DNGJBMPINGJIPB-NEPJUHHUSA-N 0 3 293.436 2.404 10 0 CEAEHN Cc1ccc(CCCN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000248445767 280347300 /nfs/dbraw/zinc/34/73/00/280347300.db2.gz GPZIPUAOCLVCQG-IRXDYDNUSA-N 0 3 290.451 2.315 10 0 CEAEHN C[C@H](CCc1cccc(F)c1)N1CCCNC(=O)[C@@H]1C ZINC000249095639 280383841 /nfs/dbraw/zinc/38/38/41/280383841.db2.gz VLBBHFKYXUIOKI-OLZOCXBDSA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@H](SC)C(=O)N1C[C@H]2CCCN2C[C@H]1CC ZINC000246081083 281014625 /nfs/dbraw/zinc/01/46/25/281014625.db2.gz GEGALWRGXIKEGG-UPJWGTAASA-N 0 3 270.442 2.213 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)CSC(F)(F)F ZINC000246983321 288315552 /nfs/dbraw/zinc/31/55/52/288315552.db2.gz OQCPTXDRYPEYLH-UWVGGRQHSA-N 0 3 296.358 2.325 10 0 CEAEHN C[C@H](OC1CCCCCC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000154433869 289145245 /nfs/dbraw/zinc/14/52/45/289145245.db2.gz JUBXWCZULQWZFA-UONOGXRCSA-N 0 3 282.428 2.277 10 0 CEAEHN Cc1c(CN[C@]2(C)CCN(Cc3ccccc3)C2)cnn1C ZINC000406025961 289293277 /nfs/dbraw/zinc/29/32/77/289293277.db2.gz HHZZSXPYXGFQKF-GOSISDBHSA-N 0 3 298.434 2.483 10 0 CEAEHN C[C@H]1CC2(CCC2)CN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000334551774 290362018 /nfs/dbraw/zinc/36/20/18/290362018.db2.gz YRJWWEODYIQSGZ-ZFWWWQNUSA-N 0 3 292.423 2.031 10 0 CEAEHN CC(C)c1csc(NC(=O)N2CC[C@H](N(C)C)C2)n1 ZINC000170874697 297472077 /nfs/dbraw/zinc/47/20/77/297472077.db2.gz XDVOMJLDGOKHLH-JTQLQIEISA-N 0 3 282.413 2.434 10 0 CEAEHN FC(F)(F)c1cc(N2CCNCC2)nc2c1CCCC2 ZINC000521400948 328674255 /nfs/dbraw/zinc/67/42/55/328674255.db2.gz TUWDALUQEGUNCL-UHFFFAOYSA-N 0 3 285.313 2.389 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1c1cccc(N)c1 ZINC000536954253 330382851 /nfs/dbraw/zinc/38/28/51/330382851.db2.gz QZPJZXNISACYEL-QWHCGFSZSA-N 0 3 277.368 2.278 10 0 CEAEHN CC(C)NCc1cnc(N2CCSCC2)s1 ZINC000054901798 519728655 /nfs/dbraw/zinc/72/86/55/519728655.db2.gz HGAABLKCQLCULS-UHFFFAOYSA-N 0 3 257.428 2.194 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCCC(=O)OC ZINC000069317638 520076582 /nfs/dbraw/zinc/07/65/82/520076582.db2.gz YWMWLDHDXPFGJW-JTQLQIEISA-N 0 3 269.316 2.438 10 0 CEAEHN CCCN[C@H](CN1CCN(C)C1=O)c1ccccc1 ZINC000052885564 520082285 /nfs/dbraw/zinc/08/22/85/520082285.db2.gz XGKSSXXIANLWKI-CQSZACIVSA-N 0 3 261.369 2.095 10 0 CEAEHN CCCNc1ccc(CN(C)[C@H](C)COC)cn1 ZINC000050815216 520154697 /nfs/dbraw/zinc/15/46/97/520154697.db2.gz WHGNTFGNBRMMKZ-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN CCN[C@H](Cc1ccccc1OC)c1nccn1C ZINC000069473603 520204535 /nfs/dbraw/zinc/20/45/35/520204535.db2.gz QAJHNCAXIHXAET-CYBMUJFWSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@H]1CCN([C@H](CC)c2cccs2)C1=O ZINC000049660070 520215407 /nfs/dbraw/zinc/21/54/07/520215407.db2.gz QWMLRRKDKPBBIS-WDEREUQCSA-N 0 3 252.383 2.410 10 0 CEAEHN CCCOc1ccc(NC(=O)C(C)(C)NC)cc1 ZINC000061319248 520385451 /nfs/dbraw/zinc/38/54/51/520385451.db2.gz FKCNPCASBGHDEW-UHFFFAOYSA-N 0 3 250.342 2.412 10 0 CEAEHN CCO[C@H]1CCCN(Cc2cc(CN)oc2C)C1 ZINC000052372230 520527034 /nfs/dbraw/zinc/52/70/34/520527034.db2.gz AYSLZTGOFDQCPA-ZDUSSCGKSA-N 0 3 252.358 2.048 10 0 CEAEHN CCOC(=O)C[C@@]1(N2CCOCC2)C[C@@H](C)CC[C@@H]1C ZINC000068633924 520860995 /nfs/dbraw/zinc/86/09/95/520860995.db2.gz MDAHJRPTIWXQPU-DZKIICNBSA-N 0 3 283.412 2.467 10 0 CEAEHN CCCc1nc(N(C)[C@H]2CCCN(C)C2)sc1CO ZINC000055003699 521528832 /nfs/dbraw/zinc/52/88/32/521528832.db2.gz WIYMXWIQNDHJTI-NSHDSACASA-N 0 3 283.441 2.118 10 0 CEAEHN CCCn1cc(Cl)cc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069132898 521654030 /nfs/dbraw/zinc/65/40/30/521654030.db2.gz NNAYXNRYTSWGEE-GHMZBOCLSA-N 0 3 283.803 2.374 10 0 CEAEHN CNCc1cc(CN2CCO[C@H]3CCC[C@@H]32)c(C)o1 ZINC000052540361 522106947 /nfs/dbraw/zinc/10/69/47/522106947.db2.gz YSZQNWXSWIYEHQ-GJZGRUSLSA-N 0 3 264.369 2.061 10 0 CEAEHN CNCc1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000054719119 522148033 /nfs/dbraw/zinc/14/80/33/522148033.db2.gz FATNETHTBIGZLR-UHFFFAOYSA-N 0 3 253.708 2.443 10 0 CEAEHN CN[C@H](C)c1cnc(N(C)C2CCOCC2)s1 ZINC000054904617 522454570 /nfs/dbraw/zinc/45/45/70/522454570.db2.gz YZVGCRJKAVVIIZ-SECBINFHSA-N 0 3 255.387 2.039 10 0 CEAEHN COc1ccc(CN[C@]2(CO)CCC[C@@H](C)C2)cc1O ZINC000053115402 518152388 /nfs/dbraw/zinc/15/23/88/518152388.db2.gz GHNBAMRCGMXTIL-MLGOLLRUSA-N 0 3 279.380 2.432 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000183285520 518203029 /nfs/dbraw/zinc/20/30/29/518203029.db2.gz IWMJGMXGQFLNBO-UKRRQHHQSA-N 0 3 297.395 2.370 10 0 CEAEHN c1ccc2c(c1)CNC[C@@H]2c1nc(-c2ccncc2)no1 ZINC000087611676 518203911 /nfs/dbraw/zinc/20/39/11/518203911.db2.gz USGUPOIBXUIGGS-AWEZNQCLSA-N 0 3 278.315 2.367 10 0 CEAEHN CC(C)(C)c1ccc(SCC[C@H](N)C(N)=O)cc1 ZINC000062600375 519047755 /nfs/dbraw/zinc/04/77/55/519047755.db2.gz YGTOHQHDHIPMHV-LBPRGKRZSA-N 0 3 266.410 2.279 10 0 CEAEHN CC(C)CCC[C@@H](C)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000049128621 519645763 /nfs/dbraw/zinc/64/57/63/519645763.db2.gz LQJDHMNQYHWVQO-CHWSQXEVSA-N 0 3 268.401 2.327 10 0 CEAEHN CC(C)NCc1ccoc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000052380294 519727720 /nfs/dbraw/zinc/72/77/20/519727720.db2.gz ZMOWKYPVMLYMJN-BETUJISGSA-N 0 3 266.385 2.387 10 0 CEAEHN CC(C)NCc1cnn([C@H]2CCCCC[C@@H]2O)c1 ZINC000054600476 519728549 /nfs/dbraw/zinc/72/85/49/519728549.db2.gz GNAHTGWYYAWMFW-KBPBESRZSA-N 0 3 251.374 2.247 10 0 CEAEHN CC(C)C[C@@H](C)OC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069196506 519774028 /nfs/dbraw/zinc/77/40/28/519774028.db2.gz HFKCSWBXHHQJLL-IUODEOHRSA-N 0 3 270.417 2.070 10 0 CEAEHN CC(C)[C@@H]1CCc2nc(N3CCNCC3)sc2C1 ZINC000054556887 519803503 /nfs/dbraw/zinc/80/35/03/519803503.db2.gz ZKXHRDCEOHDCBH-LLVKDONJSA-N 0 3 265.426 2.314 10 0 CEAEHN CCCN1CCC(Nc2nc(Cl)nc(OCC)n2)CC1 ZINC000061516890 519847814 /nfs/dbraw/zinc/84/78/14/519847814.db2.gz FUWUBTMFIHQLOZ-UHFFFAOYSA-N 0 3 299.806 2.210 10 0 CEAEHN CCCN1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054558124 519859782 /nfs/dbraw/zinc/85/97/82/519859782.db2.gz QOHPMNYDPXIIHD-XHSDSOJGSA-N 0 3 268.445 2.200 10 0 CEAEHN CCCC1CCN(CC[C@H](NCC)C(=O)OC)CC1 ZINC000062531154 519901587 /nfs/dbraw/zinc/90/15/87/519901587.db2.gz JQYLVUBXCRLIEI-AWEZNQCLSA-N 0 3 270.417 2.040 10 0 CEAEHN CC(C)c1noc(COc2ccc3c(c2)OC[C@H]3N)n1 ZINC000062803386 519904607 /nfs/dbraw/zinc/90/46/07/519904607.db2.gz WDPADIDPJIWUBP-LLVKDONJSA-N 0 3 275.308 2.164 10 0 CEAEHN CCCNCc1cc2c(cc1OC1CCOCC1)OCO2 ZINC000069289149 519947615 /nfs/dbraw/zinc/94/76/15/519947615.db2.gz GANOJTDDIZHTQU-UHFFFAOYSA-N 0 3 293.363 2.473 10 0 CEAEHN CCNCc1c(Cl)cccc1N1CC[C@H](O)C1 ZINC000061711222 519984807 /nfs/dbraw/zinc/98/48/07/519984807.db2.gz VMZFNSKPKTUOBN-JTQLQIEISA-N 0 3 254.761 2.021 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OCC(=O)NCC ZINC000062747444 519988772 /nfs/dbraw/zinc/98/87/72/519988772.db2.gz ZFDHGUIGTUMMOK-NSHDSACASA-N 0 3 282.359 2.401 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OCC(=O)NC ZINC000062747474 519989291 /nfs/dbraw/zinc/98/92/91/519989291.db2.gz CNLSIOSXZJIJOO-JTQLQIEISA-N 0 3 268.332 2.011 10 0 CEAEHN CCNCc1cccc(OC)c1OC1CCOCC1 ZINC000069288914 520003652 /nfs/dbraw/zinc/00/36/52/520003652.db2.gz YAXHATZQSJXZFU-UHFFFAOYSA-N 0 3 265.353 2.363 10 0 CEAEHN CCNCc1cnc(N2CC(=O)Nc3ccccc32)s1 ZINC000054902030 520016017 /nfs/dbraw/zinc/01/60/17/520016017.db2.gz SFFDAXZWNNZMID-UHFFFAOYSA-N 0 3 288.376 2.343 10 0 CEAEHN CCCN[C@@H]1COc2cc(O[C@@H]3CCC[C@@H]3O)ccc21 ZINC000062805111 520026306 /nfs/dbraw/zinc/02/63/06/520026306.db2.gz ZRMXAJHIDJAGCY-QLFBSQMISA-N 0 3 277.364 2.412 10 0 CEAEHN CCN[C@@H](C)c1cnn(CCOCC(F)(F)F)c1 ZINC000054721357 520079442 /nfs/dbraw/zinc/07/94/42/520079442.db2.gz PHSLXJNFWRHIEP-VIFPVBQESA-N 0 3 265.279 2.133 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OCC(=O)NCC ZINC000062747445 520064653 /nfs/dbraw/zinc/06/46/53/520064653.db2.gz ZFDHGUIGTUMMOK-LLVKDONJSA-N 0 3 282.359 2.401 10 0 CEAEHN CCC[NH2+][C@H](CCN(C)CC1CCCCC1)C(=O)[O-] ZINC000062526684 520070254 /nfs/dbraw/zinc/07/02/54/520070254.db2.gz XOROZQBLFNAYDU-CQSZACIVSA-N 0 3 270.417 2.341 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OC[C@H](O)COCC ZINC000069276104 520076258 /nfs/dbraw/zinc/07/62/58/520076258.db2.gz KDPPCBAOLCSYGO-WCQYABFASA-N 0 3 285.359 2.272 10 0 CEAEHN CCN[C@@H](C)c1cnn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054600081 520079563 /nfs/dbraw/zinc/07/95/63/520079563.db2.gz LISHDHPLCBFZLD-GDLCADMTSA-N 0 3 251.374 2.338 10 0 CEAEHN CCCN[C@H](c1cc(OC)ccc1OC)[C@@H]1COCCO1 ZINC000055300458 520089070 /nfs/dbraw/zinc/08/90/70/520089070.db2.gz UKQLMPRUAMNGLG-JKSUJKDBSA-N 0 3 295.379 2.160 10 0 CEAEHN CCCN[C@H](c1ccc2c(c1)C[C@@H](C)O2)[C@@H]1COCCO1 ZINC000055300730 520090540 /nfs/dbraw/zinc/09/05/40/520090540.db2.gz XIOYMDSPUHWMAY-OAUYIBNBSA-N 0 3 291.391 2.466 10 0 CEAEHN CCCN[C@H]1COc2cc(O[C@H](C)C(=O)OC)ccc21 ZINC000062805018 520098139 /nfs/dbraw/zinc/09/81/39/520098139.db2.gz XTOLWBQCCVQZNN-MFKMUULPSA-N 0 3 279.336 2.060 10 0 CEAEHN CCN[C@@H](Cc1ccc(OC)c(OC)c1)c1nccn1C ZINC000069473577 520104216 /nfs/dbraw/zinc/10/42/16/520104216.db2.gz JOSSTVSWRCBRGZ-ZDUSSCGKSA-N 0 3 289.379 2.331 10 0 CEAEHN CCN[C@@H](Cc1c(F)cccc1Cl)CS(C)(=O)=O ZINC000052789119 520104564 /nfs/dbraw/zinc/10/45/64/520104564.db2.gz VZNRLDPWMQCVQI-VIFPVBQESA-N 0 3 293.791 2.044 10 0 CEAEHN CCN[C@@H](c1cc(C)sc1C)[C@H]1COCCO1 ZINC000055300147 520108274 /nfs/dbraw/zinc/10/82/74/520108274.db2.gz XTQYTYNRNJDKRV-OLZOCXBDSA-N 0 3 255.383 2.431 10 0 CEAEHN CCN[C@@H](c1ccc(OC)c(OC)c1OC)[C@@H]1CCOC1 ZINC000048626099 520109745 /nfs/dbraw/zinc/10/97/45/520109745.db2.gz IAWZPUZRGNNEEH-BXUZGUMPSA-N 0 3 295.379 2.400 10 0 CEAEHN CCN[C@@](C)(CCOc1c(C)ccc(C)c1C)C(N)=O ZINC000045520327 520134503 /nfs/dbraw/zinc/13/45/03/520134503.db2.gz DAXYTVHUKBGFLB-INIZCTEOSA-N 0 3 278.396 2.234 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1cccc(CC)c1)C(N)=O ZINC000068654362 520147300 /nfs/dbraw/zinc/14/73/00/520147300.db2.gz RWELAHOQDPTQQV-LRDDRELGSA-N 0 3 278.396 2.260 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Sc1ccccc1OC)C(N)=O ZINC000068639794 520147871 /nfs/dbraw/zinc/14/78/71/520147871.db2.gz INBWCWIQTABXQB-NHYWBVRUSA-N 0 3 296.436 2.419 10 0 CEAEHN CCN[C@@](CN1CCC[C@@H](CC)C1)(C(=O)OCC)C1CC1 ZINC000069099975 520153213 /nfs/dbraw/zinc/15/32/13/520153213.db2.gz CCOTTZJZVWIGQV-RHSMWYFYSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCNc1cccc(C(=O)N[C@@H](CN(C)C)C(C)C)n1 ZINC000051071769 520174287 /nfs/dbraw/zinc/17/42/87/520174287.db2.gz MMIJXDWLVZPANZ-AWEZNQCLSA-N 0 3 292.427 2.220 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1OC[C@H](O)COCC ZINC000069275538 520176808 /nfs/dbraw/zinc/17/68/08/520176808.db2.gz VEAOPWIECVBFSK-ZIAGYGMSSA-N 0 3 281.396 2.442 10 0 CEAEHN CCCNc1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000050779261 520177572 /nfs/dbraw/zinc/17/75/72/520177572.db2.gz MDXOLLCIUCZYSF-CYBMUJFWSA-N 0 3 287.407 2.475 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@@H]1CCOC1=O ZINC000062746957 520177550 /nfs/dbraw/zinc/17/75/50/520177550.db2.gz DWWJODCXDSYCNB-BXKDBHETSA-N 0 3 267.300 2.191 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@@H](CC)C(N)=O ZINC000062746896 520178622 /nfs/dbraw/zinc/17/86/22/520178622.db2.gz LCYXNNUXXJMGDT-SKDRFNHKSA-N 0 3 268.332 2.139 10 0 CEAEHN CCN[C@H](c1ccccc1)[C@@H](C(C)C)S(C)(=O)=O ZINC000054930405 520209765 /nfs/dbraw/zinc/20/97/65/520209765.db2.gz QHGXJOTVFNATKR-ZIAGYGMSSA-N 0 3 269.410 2.406 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CC(=O)N2C)[C@H]1CCCCO1 ZINC000050962164 520210650 /nfs/dbraw/zinc/21/06/50/520210650.db2.gz PTBZYXPJGQUPDF-NVXWUHKLSA-N 0 3 288.391 2.425 10 0 CEAEHN CCN[C@H](c1ccccc1CC)[C@H]1CCS(=O)(=O)C1 ZINC000052201605 520211522 /nfs/dbraw/zinc/21/15/22/520211522.db2.gz OKESJWSZHUVVLF-ZFWWWQNUSA-N 0 3 281.421 2.334 10 0 CEAEHN CCN[C@H]1COc2cc(OCCn3ccnc3)ccc21 ZINC000062804658 520220801 /nfs/dbraw/zinc/22/08/01/520220801.db2.gz DYTYJHKJQGVIAJ-AWEZNQCLSA-N 0 3 273.336 2.005 10 0 CEAEHN CCN[C@H]1COc2cc(OCCCC(=O)OC)ccc21 ZINC000062804694 520221322 /nfs/dbraw/zinc/22/13/22/520221322.db2.gz ACGLWKYSMGJDPE-ZDUSSCGKSA-N 0 3 279.336 2.062 10 0 CEAEHN CCN[C@H]1COc2cc(O[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000062804762 520222088 /nfs/dbraw/zinc/22/20/88/520222088.db2.gz QRGGFNPELRUORE-SOUVJXGZSA-N 0 3 277.364 2.412 10 0 CEAEHN CCN[C@](C)(CCN1CCCC(C)(C)C1)C(=O)OCC ZINC000069516400 520229581 /nfs/dbraw/zinc/22/95/81/520229581.db2.gz QHSKEFCDOXYRDW-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Sc1ccc(OC)cc1)C(N)=O ZINC000068635827 520242839 /nfs/dbraw/zinc/24/28/39/520242839.db2.gz QGSHQZPNZRQSSD-XHDPSFHLSA-N 0 3 296.436 2.419 10 0 CEAEHN CCNc1ccc(CN(CCCO)C(C)C)cn1 ZINC000050818068 520299762 /nfs/dbraw/zinc/29/97/62/520299762.db2.gz YXVSJJPEVBSGOA-UHFFFAOYSA-N 0 3 251.374 2.106 10 0 CEAEHN CCCCNC(=O)[C@H](C)N[C@@H]1CCc2ccccc2C1 ZINC000052396224 520669530 /nfs/dbraw/zinc/66/95/30/520669530.db2.gz VVLOFFZYZLJKPK-XJKSGUPXSA-N 0 3 274.408 2.438 10 0 CEAEHN CCCCOCCOc1ccc(OC)cc1CN ZINC000049261410 520794136 /nfs/dbraw/zinc/79/41/36/520794136.db2.gz FHFANXVHTYLDON-UHFFFAOYSA-N 0 3 253.342 2.349 10 0 CEAEHN CCOC(=O)COc1ccc(Cl)cc1[C@@H](C)N ZINC000050209374 520803691 /nfs/dbraw/zinc/80/36/91/520803691.db2.gz OXONIGONLRSYRU-MRVPVSSYSA-N 0 3 257.717 2.302 10 0 CEAEHN CCCC[C@@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC000049547807 521074995 /nfs/dbraw/zinc/07/49/95/521074995.db2.gz GUFWIBIZUDLOTC-MRVPVSSYSA-N 0 3 253.371 2.088 10 0 CEAEHN CCN(CCOC)c1ccc(F)cc1CNCCOC ZINC000062737249 521137614 /nfs/dbraw/zinc/13/76/14/521137614.db2.gz AGCVHTZQAKKMIL-UHFFFAOYSA-N 0 3 284.375 2.034 10 0 CEAEHN CCN(CCOC)[C@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710847 521138128 /nfs/dbraw/zinc/13/81/28/521138128.db2.gz MVOBRTWGXWXTRK-GFCCVEGCSA-N 0 3 276.302 2.072 10 0 CEAEHN CCOC(=O)[C@@](CN1CCC(C)(CC)CC1)(NC)C1CC1 ZINC000069232524 521166691 /nfs/dbraw/zinc/16/66/91/521166691.db2.gz NUISHCRFWOIEFZ-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCOC(=O)[C@@](CN1[C@H](C)CCC[C@@H]1C)(NC)C1CC1 ZINC000069096132 521167437 /nfs/dbraw/zinc/16/74/37/521167437.db2.gz PXRBAFLYZROTOH-ZENOOKHLSA-N 0 3 282.428 2.181 10 0 CEAEHN CCN(Cc1ccncc1)Cc1nc(NN)ccc1Cl ZINC000061631466 521421635 /nfs/dbraw/zinc/42/16/35/521421635.db2.gz TVZQKYOVCSIRIU-UHFFFAOYSA-N 0 3 291.786 2.438 10 0 CEAEHN CCN(Cc1nc(NN)ccc1Cl)CC(F)(F)F ZINC000061631168 521452269 /nfs/dbraw/zinc/45/22/69/521452269.db2.gz DRJIDCVEPWQZRE-UHFFFAOYSA-N 0 3 282.697 2.405 10 0 CEAEHN CCN1CCC(N(C)C(=O)c2cc(C)ccc2N)CC1 ZINC000053004321 521555177 /nfs/dbraw/zinc/55/51/77/521555177.db2.gz MYZWLYWHXSGLEN-UHFFFAOYSA-N 0 3 275.396 2.134 10 0 CEAEHN CCOc1ccccc1Oc1ccc(CNC)nn1 ZINC000051546411 521569039 /nfs/dbraw/zinc/56/90/39/521569039.db2.gz UFUNLZKJZNEMRE-UHFFFAOYSA-N 0 3 259.309 2.387 10 0 CEAEHN CCCn1cc(N)cc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000049500476 521654132 /nfs/dbraw/zinc/65/41/32/521654132.db2.gz JRFDFEMWZCMOTE-ZDUSSCGKSA-N 0 3 292.427 2.085 10 0 CEAEHN CCOC1CCN(c2nc3c(s2)[C@@H](N)CCC3)CC1 ZINC000054896429 521658002 /nfs/dbraw/zinc/65/80/02/521658002.db2.gz XFONWCBXLLKIBT-NSHDSACASA-N 0 3 281.425 2.485 10 0 CEAEHN CCSc1ccc(C(=O)N[C@@H]2CCCN(CC)C2)cn1 ZINC000069392299 521735285 /nfs/dbraw/zinc/73/52/85/521735285.db2.gz ZJEYJEWWDSIVHG-CYBMUJFWSA-N 0 3 293.436 2.408 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@H](N)CCOC ZINC000052808144 521778564 /nfs/dbraw/zinc/77/85/64/521778564.db2.gz UWSAXUZVSFYSLX-SNVBAGLBSA-N 0 3 268.382 2.101 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000061316695 521940332 /nfs/dbraw/zinc/94/03/32/521940332.db2.gz DVAWYVNNGYGJFG-UHFFFAOYSA-N 0 3 259.309 2.278 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531952 521958241 /nfs/dbraw/zinc/95/82/41/521958241.db2.gz CLRNWNHDQXUCBS-ZANVPECISA-N 0 3 250.342 2.316 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000163606689 522052905 /nfs/dbraw/zinc/05/29/05/522052905.db2.gz SHOXFGXZPHSFRO-BZPMIXESSA-N 0 3 294.345 2.231 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1cccnc1NC ZINC000052729236 522091684 /nfs/dbraw/zinc/09/16/84/522091684.db2.gz CFPWBZWFALKWCI-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN CNCc1cc(CN2CCCSCC2)c(C)o1 ZINC000052371167 522106188 /nfs/dbraw/zinc/10/61/88/522106188.db2.gz QFWZNTKYNJOFDX-UHFFFAOYSA-N 0 3 254.399 2.246 10 0 CEAEHN CNCc1ccc(OC)cc1OCCOC(C)C ZINC000049259183 522120702 /nfs/dbraw/zinc/12/07/02/522120702.db2.gz WCINJOYLELXQFJ-UHFFFAOYSA-N 0 3 253.342 2.218 10 0 CEAEHN CC[C@@H](C)N1CCN([C@H](CN)c2ccc(C)s2)CC1 ZINC000055063804 522131692 /nfs/dbraw/zinc/13/16/92/522131692.db2.gz HEJACUXUUVTISX-TZMCWYRMSA-N 0 3 281.469 2.472 10 0 CEAEHN COC(=O)c1cccc(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000061980512 522243214 /nfs/dbraw/zinc/24/32/14/522243214.db2.gz VEJBKXSBVQEFBO-CYBMUJFWSA-N 0 3 260.337 2.122 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1cc(F)ccc1F)C(F)(F)F ZINC000062784621 522346305 /nfs/dbraw/zinc/34/63/05/522346305.db2.gz XPKNWYGKCRXJBP-VHSXEESVSA-N 0 3 269.213 2.452 10 0 CEAEHN CN[C@@H](c1ccccc1)[C@@H](C(C)C)S(C)(=O)=O ZINC000054930245 522372779 /nfs/dbraw/zinc/37/27/79/522372779.db2.gz XMWMVJZOKXMZMV-QWHCGFSZSA-N 0 3 255.383 2.016 10 0 CEAEHN CN[C@@](C)(C[C@H](C)Oc1ccc(C(C)C)cc1)C(N)=O ZINC000068655283 522419327 /nfs/dbraw/zinc/41/93/27/522419327.db2.gz HOXZNXNVMBVHKR-LRDDRELGSA-N 0 3 278.396 2.431 10 0 CEAEHN CN[C@H](CN1CCN(C)C1=O)c1cccc2ccccc21 ZINC000052885680 522467993 /nfs/dbraw/zinc/46/79/93/522467993.db2.gz SCLBZZSYSYRJTJ-MRXNPFEDSA-N 0 3 283.375 2.468 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1ccc(OC)c(F)c1)C(F)(F)F ZINC000062784660 522652282 /nfs/dbraw/zinc/65/22/82/522652282.db2.gz HDZCWOABXGQJPY-MNOVXSKESA-N 0 3 281.249 2.322 10 0 CEAEHN COC1CCN(c2ccc(Cl)cc2CN)CC1 ZINC000052856696 522709450 /nfs/dbraw/zinc/70/94/50/522709450.db2.gz KJLZPLFJXSPQAX-UHFFFAOYSA-N 0 3 254.761 2.414 10 0 CEAEHN COc1cc(OC)c(OC)cc1CN[C@@H]1C[C@@H]1C ZINC000052269565 522826399 /nfs/dbraw/zinc/82/63/99/522826399.db2.gz UUUOACBRDQFQSP-GXSJLCMTSA-N 0 3 251.326 2.210 10 0 CEAEHN COCC1CCN(Cc2ccc(N)c(F)c2)CC1 ZINC000070084575 522936408 /nfs/dbraw/zinc/93/64/08/522936408.db2.gz KMWXNNBBNCABOS-UHFFFAOYSA-N 0 3 252.333 2.266 10 0 CEAEHN CC[C@@H](Oc1ccc(OC)cc1CNC(C)(C)C)C(N)=O ZINC000062727573 523044191 /nfs/dbraw/zinc/04/41/91/523044191.db2.gz YHMYHOWDUFOEGV-CYBMUJFWSA-N 0 3 294.395 2.226 10 0 CEAEHN COC(=O)CCN(Cc1ccccc1N)C(C)C ZINC000069318158 523068528 /nfs/dbraw/zinc/06/85/28/523068528.db2.gz UMXWITIFCOSHBV-UHFFFAOYSA-N 0 3 250.342 2.042 10 0 CEAEHN COC(=O)CCOc1cc(OC)ccc1CNC(C)C ZINC000069317304 523104178 /nfs/dbraw/zinc/10/41/78/523104178.db2.gz NRGWFDRQSGMELM-UHFFFAOYSA-N 0 3 281.352 2.135 10 0 CEAEHN CC[C@@H]1CCCCN1Cc1ccnc(C(N)=S)c1 ZINC000068751895 523178755 /nfs/dbraw/zinc/17/87/55/523178755.db2.gz PJBDWBAJJYGGLI-GFCCVEGCSA-N 0 3 263.410 2.480 10 0 CEAEHN COCCCN(CCOC)Cc1ccc(Cl)cc1N ZINC000050443130 523255015 /nfs/dbraw/zinc/25/50/15/523255015.db2.gz SXSAOPLIDAJDAR-UHFFFAOYSA-N 0 3 286.803 2.407 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1Cc1nc(NN)ccc1Cl ZINC000061638560 523351014 /nfs/dbraw/zinc/35/10/14/523351014.db2.gz JBHFJOIZMIDCKR-ZJUUUORDSA-N 0 3 284.791 2.020 10 0 CEAEHN CC[C@H]1CSC(NC[C@@H]2Cc3ccccc3O2)=N1 ZINC000051087004 523354755 /nfs/dbraw/zinc/35/47/55/523354755.db2.gz SRYYGLSVBKFMGK-RYUDHWBXSA-N 0 3 262.378 2.461 10 0 CEAEHN CCn1cc(CN2CCN[C@](C)(c3ccccc3)C2)cn1 ZINC000068693784 523375507 /nfs/dbraw/zinc/37/55/07/523375507.db2.gz IMGQRHAYSWRJQQ-KRWDZBQOSA-N 0 3 284.407 2.224 10 0 CEAEHN COCCN(Cc1cc(CNC(C)C)co1)[C@@H](C)COC ZINC000052572392 523740275 /nfs/dbraw/zinc/74/02/75/523740275.db2.gz HHDLVKOTYONLGC-AWEZNQCLSA-N 0 3 298.427 2.261 10 0 CEAEHN COCCN(Cc1ccoc1CNC(C)C)[C@@H](C)COC ZINC000052572350 523770054 /nfs/dbraw/zinc/77/00/54/523770054.db2.gz RNOVSTURMPAPLO-AWEZNQCLSA-N 0 3 298.427 2.261 10 0 CEAEHN CN(C(=O)CNCCc1ccc(Cl)cc1)C1CC1 ZINC000049305265 523826304 /nfs/dbraw/zinc/82/63/04/523826304.db2.gz VHCOFNZIKQTFQB-UHFFFAOYSA-N 0 3 266.772 2.093 10 0 CEAEHN CN(C(=O)CN[C@H]1CCCc2sccc21)C1CC1 ZINC000061362057 523828185 /nfs/dbraw/zinc/82/81/85/523828185.db2.gz JFRZRDHMAMVBCN-LBPRGKRZSA-N 0 3 264.394 2.336 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1nc(NN)ccc1Cl ZINC000061638498 523938700 /nfs/dbraw/zinc/93/87/00/523938700.db2.gz WMTWSBYDCDCTHS-JTQLQIEISA-N 0 3 286.807 2.268 10 0 CEAEHN COCCNCc1cc(F)ccc1N1CCOCC1(C)C ZINC000062737009 523950570 /nfs/dbraw/zinc/95/05/70/523950570.db2.gz PFXMRPLWDAARCC-UHFFFAOYSA-N 0 3 296.386 2.177 10 0 CEAEHN COCCNCc1cccc(OCc2cc(C)on2)c1 ZINC000062731682 523954851 /nfs/dbraw/zinc/95/48/51/523954851.db2.gz IXYOFFNBJNJQDC-UHFFFAOYSA-N 0 3 276.336 2.298 10 0 CEAEHN COCCNCc1ccccc1N1C[C@H](C)OC(C)(C)C1 ZINC000062738011 523955972 /nfs/dbraw/zinc/95/59/72/523955972.db2.gz NNMNQXYXAYYKIS-AWEZNQCLSA-N 0 3 292.423 2.426 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2ccccc2C(N)=S)CC1 ZINC000055066715 523957325 /nfs/dbraw/zinc/95/73/25/523957325.db2.gz PFIGVPRRDJJVMU-ZDUSSCGKSA-N 0 3 291.464 2.237 10 0 CEAEHN COC(=O)[C@](C)(CN1CCCC(C)(C)C1)NC(C)C ZINC000069516827 523999132 /nfs/dbraw/zinc/99/91/32/523999132.db2.gz QIZADSYJCLAWNO-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN C[C@H]1CCC[C@H](C(=O)NCc2ccc(F)cc2F)N1 ZINC000051017940 524178516 /nfs/dbraw/zinc/17/85/16/524178516.db2.gz JKBCCNRKDUMVBQ-TVQRCGJNSA-N 0 3 268.307 2.112 10 0 CEAEHN Cc1cc(C)c(-c2cc(N3CCNCC3)n[nH]2)c(C)c1 ZINC000062669882 524211735 /nfs/dbraw/zinc/21/17/35/524211735.db2.gz LAKSPFTVMWWYJV-UHFFFAOYSA-N 0 3 270.380 2.412 10 0 CEAEHN Cc1ccc(CC(=O)N2[C@H](C)CNC[C@@H]2C)cc1C ZINC000069132642 524258437 /nfs/dbraw/zinc/25/84/37/524258437.db2.gz WUFXLABGPHTXRY-OKILXGFUSA-N 0 3 260.381 2.055 10 0 CEAEHN Cc1cc(C)c(C[C@@H](CN)C(=O)NC2CC2)c(C)c1 ZINC000050304358 524274734 /nfs/dbraw/zinc/27/47/34/524274734.db2.gz OJAZHLJMBBXGDK-ZDUSSCGKSA-N 0 3 260.381 2.008 10 0 CEAEHN C[C@H](CN1CCCC1)Nc1nc(Cl)nc(Cl)n1 ZINC000061518641 524321601 /nfs/dbraw/zinc/32/16/01/524321601.db2.gz IKHIYNKJHUPATJ-SSDOTTSWSA-N 0 3 276.171 2.075 10 0 CEAEHN C[C@H]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C[C@@H]1C ZINC000068584385 524420191 /nfs/dbraw/zinc/42/01/91/524420191.db2.gz HJGKAPSRVGIPBJ-DARAHFNDSA-N 0 3 274.408 2.497 10 0 CEAEHN COc1ccccc1CN(C)c1ccnc(C(=N)N)c1 ZINC000061814185 524437042 /nfs/dbraw/zinc/43/70/42/524437042.db2.gz CZWDFKPTEDKGIB-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN Cc1cc(C)cc(OCCCC[C@](C)(N)C(N)=O)c1 ZINC000045516194 524442572 /nfs/dbraw/zinc/44/25/72/524442572.db2.gz KWWRENQBMLYVFP-HNNXBMFYSA-N 0 3 264.369 2.055 10 0 CEAEHN C[C@@H](CN1CCCC1)N[C@H](c1ccco1)c1nccn1C ZINC000049150907 524595927 /nfs/dbraw/zinc/59/59/27/524595927.db2.gz DEDBYCSVBNGOMI-DZGCQCFKSA-N 0 3 288.395 2.176 10 0 CEAEHN C[C@@H](CN1CCCCC1)NCC(=O)Nc1ccccc1F ZINC000049501827 524604293 /nfs/dbraw/zinc/60/42/93/524604293.db2.gz ZDOSOENTJGMPKS-ZDUSSCGKSA-N 0 3 293.386 2.228 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)CCc1c[nH]c2ccccc12 ZINC000069133188 524698035 /nfs/dbraw/zinc/69/80/35/524698035.db2.gz LSXAMXMNMWTDCK-STQMWFEESA-N 0 3 285.391 2.309 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccccc1OC(F)F ZINC000069132570 524698666 /nfs/dbraw/zinc/69/86/66/524698666.db2.gz UHZCQLLOMBDWFX-UWVGGRQHSA-N 0 3 284.306 2.110 10 0 CEAEHN C[C@H](N)c1cnc(N(C)Cc2cscn2)s1 ZINC000054896580 524869006 /nfs/dbraw/zinc/86/90/06/524869006.db2.gz APDUHJYUOJMQIU-ZETCQYMHSA-N 0 3 254.384 2.256 10 0 CEAEHN C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)[C@@H](C)CN1 ZINC000062665705 524849985 /nfs/dbraw/zinc/84/99/85/524849985.db2.gz NDOYRQPLCYHOJH-BDAKNGLRSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@H]1C[C@@H]1NCC(=O)Nc1cccc(Br)c1 ZINC000052287810 524852051 /nfs/dbraw/zinc/85/20/51/524852051.db2.gz GNJFQJGUXBUDNU-KWQFWETISA-N 0 3 283.169 2.386 10 0 CEAEHN C[C@@H](C[C@](C)(N)C(N)=O)Oc1cccc(C(C)(C)C)c1 ZINC000068657524 524863548 /nfs/dbraw/zinc/86/35/48/524863548.db2.gz RMABWROKANZSQE-ZBEGNZNMSA-N 0 3 278.396 2.344 10 0 CEAEHN COc1nc(N(C)C)sc1CNCCCSC ZINC000069432808 524976390 /nfs/dbraw/zinc/97/63/90/524976390.db2.gz WBLRGZSVXUKOIG-UHFFFAOYSA-N 0 3 275.443 2.060 10 0 CEAEHN COc1ccc(O[C@@H](C)C[C@@](C)(NC(C)C)C(N)=O)cc1 ZINC000068656840 524982671 /nfs/dbraw/zinc/98/26/71/524982671.db2.gz JZQZGVMBSXTVAO-BLLLJJGKSA-N 0 3 294.395 2.095 10 0 CEAEHN COc1ccc(O[C@H]2CCOC2=O)c(CNCC(C)C)c1 ZINC000062727643 524989957 /nfs/dbraw/zinc/98/99/57/524989957.db2.gz YIQBWDSQBNOFBF-HNNXBMFYSA-N 0 3 293.363 2.135 10 0 CEAEHN Cc1cc(F)ccc1[C@@H](CN)N1CCSCC1 ZINC000050578342 525002738 /nfs/dbraw/zinc/00/27/38/525002738.db2.gz FPQZMCUPVFZCNN-CYBMUJFWSA-N 0 3 254.374 2.183 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccccn1)N1CCOc2ccccc2C1 ZINC000063012304 525007055 /nfs/dbraw/zinc/00/70/55/525007055.db2.gz MZRUMJLTSPJCDM-DYVFJYSZSA-N 0 3 283.375 2.365 10 0 CEAEHN Cc1cc(F)ccc1[C@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000050578099 525009338 /nfs/dbraw/zinc/00/93/38/525009338.db2.gz BAQJVUNCTGXJLF-ZOWXZIJZSA-N 0 3 266.360 2.243 10 0 CEAEHN C[C@@H]([NH3+])[C@@]([O-])(c1ccccc1Cl)C(F)(F)F ZINC000062784754 525013839 /nfs/dbraw/zinc/01/38/39/525013839.db2.gz IUIMTKDSDKFNOE-HZGVNTEJSA-N 0 3 253.651 2.437 10 0 CEAEHN C[C@@H]([NH3+])[C@@]([O-])(c1cc(F)ccc1F)C(F)(F)F ZINC000062784616 525015142 /nfs/dbraw/zinc/01/51/42/525015142.db2.gz DOWMMUVALXMRSD-MLUIRONXSA-N 0 3 255.186 2.062 10 0 CEAEHN CS(=O)(=O)CCC[C@H](N)c1ccc(Cl)cc1F ZINC000063017450 525119957 /nfs/dbraw/zinc/11/99/57/525119957.db2.gz UWEGMRFBWUQBMC-NSHDSACASA-N 0 3 279.764 2.304 10 0 CEAEHN Cc1ccccc1CSC[C@@](C)(NC1CC1)C(N)=O ZINC000054964703 525183868 /nfs/dbraw/zinc/18/38/68/525183868.db2.gz TXVGJYUIKZNGKQ-OAHLLOKOSA-N 0 3 278.421 2.224 10 0 CEAEHN CS(=O)(=O)[C@@H](c1ccccc1)[C@@H](N)Cc1ccccc1 ZINC000054930071 525231017 /nfs/dbraw/zinc/23/10/17/525231017.db2.gz HNQWEKPDGGIRND-HOTGVXAUSA-N 0 3 289.400 2.342 10 0 CEAEHN COc1ccc([C@H]2[C@@H](N)CC(=O)N2C(C)C)cc1C ZINC000070293598 525434267 /nfs/dbraw/zinc/43/42/67/525434267.db2.gz LTZFWSUOYRHPOG-WFASDCNBSA-N 0 3 262.353 2.013 10 0 CEAEHN Cc1ccc(OC[C@](NC2CC2)(C(N)=O)C2CC2)cc1C ZINC000069197330 525443540 /nfs/dbraw/zinc/44/35/40/525443540.db2.gz WXZBACWJBSOFRB-QGZVFWFLSA-N 0 3 288.391 2.068 10 0 CEAEHN Cc1nc[nH]c1CN[C@H]1CCN(Cc2ccccc2)C1 ZINC000054795434 525463033 /nfs/dbraw/zinc/46/30/33/525463033.db2.gz NTHHCJBSAIONOL-HNNXBMFYSA-N 0 3 270.380 2.082 10 0 CEAEHN CSC[C@H](C)CNCC(=O)Nc1ccc(F)cc1 ZINC000069447610 525681642 /nfs/dbraw/zinc/68/16/42/525681642.db2.gz YEKKJJQOWQJGAV-SNVBAGLBSA-N 0 3 270.373 2.353 10 0 CEAEHN C[C@H](Oc1ccc(Cl)cc1CNC(C)(C)C)C(N)=O ZINC000062730780 525931303 /nfs/dbraw/zinc/93/13/03/525931303.db2.gz BGRGIIPZMGDIKA-VIFPVBQESA-N 0 3 284.787 2.481 10 0 CEAEHN Cc1ccc(=O)n(C[C@@H](N)c2ccc3ccccc3c2)n1 ZINC000061810451 525976491 /nfs/dbraw/zinc/97/64/91/525976491.db2.gz SUAUTJYLYYKOJF-MRXNPFEDSA-N 0 3 279.343 2.405 10 0 CEAEHN COc1cccc(NC(=O)CNC[C@H](C)CSC)c1 ZINC000069447435 526176568 /nfs/dbraw/zinc/17/65/68/526176568.db2.gz SYDIYBZGXLCTHR-NSHDSACASA-N 0 3 282.409 2.222 10 0 CEAEHN Cc1cc(C(=O)N2[C@H](C)CNC[C@H]2C)c2ccccc2n1 ZINC000069133354 526263231 /nfs/dbraw/zinc/26/32/31/526263231.db2.gz HTJZINOSOCNWBO-CHWSQXEVSA-N 0 3 283.375 2.366 10 0 CEAEHN Cc1nn([C@@H](CN)c2ccccn2)c(C)c1Cl ZINC000050585985 526302510 /nfs/dbraw/zinc/30/25/10/526302510.db2.gz FYAARRKMEODVEH-NSHDSACASA-N 0 3 250.733 2.096 10 0 CEAEHN O=C([O-])[C@H](c1csc2ccccc21)[N@@H+]1CCCNCC1 ZINC000054465272 526316187 /nfs/dbraw/zinc/31/61/87/526316187.db2.gz CSVRYDFRGYXEJB-AWEZNQCLSA-N 0 3 290.388 2.322 10 0 CEAEHN O=C([O-])[C@H](c1csc2ccccc21)[N@H+]1CCCNCC1 ZINC000054465272 526316194 /nfs/dbraw/zinc/31/61/94/526316194.db2.gz CSVRYDFRGYXEJB-AWEZNQCLSA-N 0 3 290.388 2.322 10 0 CEAEHN Cc1nc(C)n(Cc2oc3ccccc3c2CN)n1 ZINC000052574429 526765224 /nfs/dbraw/zinc/76/52/24/526765224.db2.gz BPQHTIGWRQPTDU-UHFFFAOYSA-N 0 3 256.309 2.148 10 0 CEAEHN N=C(N)c1ncccc1Cn1ccnc1-c1cccs1 ZINC000061658477 526825051 /nfs/dbraw/zinc/82/50/51/526825051.db2.gz URWIUBJKHMILEX-UHFFFAOYSA-N 0 3 283.360 2.339 10 0 CEAEHN N=C(N)c1ncccc1COc1cccc(F)c1F ZINC000062615566 526825589 /nfs/dbraw/zinc/82/55/89/526825589.db2.gz GFUPJKCZMDCVJT-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN Cc1nc(N2CCN(C(C)(C)C)CC2)sc1[C@@H](C)N ZINC000054898190 526966952 /nfs/dbraw/zinc/96/69/52/526966952.db2.gz XSISOYYJPGOQJB-SNVBAGLBSA-N 0 3 282.457 2.392 10 0 CEAEHN CC(=O)c1c(F)cccc1NC[C@H](O)CN1CCCCC1 ZINC000174684309 527176604 /nfs/dbraw/zinc/17/66/04/527176604.db2.gz SPZCQCMUODNIDH-ZDUSSCGKSA-N 0 3 294.370 2.287 10 0 CEAEHN NC[C@@H](C(=O)NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000061613187 527200589 /nfs/dbraw/zinc/20/05/89/527200589.db2.gz XWQNXPHLWODXLY-UKRRQHHQSA-N 0 3 258.365 2.201 10 0 CEAEHN NC[C@H](Oc1cc(F)cc(F)c1)c1cccnc1 ZINC000054932443 527229328 /nfs/dbraw/zinc/22/93/28/527229328.db2.gz AEPPRWRZSVHEIC-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN NC[C@H](c1cccc(Cl)c1)N1CCn2ccnc2C1 ZINC000062245956 527229918 /nfs/dbraw/zinc/22/99/18/527229918.db2.gz ZHLSNQLDBFUIQP-CYBMUJFWSA-N 0 3 276.771 2.052 10 0 CEAEHN NC[C@H](c1ccccc1F)N1CCC[C@@H]1CCCO ZINC000052757571 527230546 /nfs/dbraw/zinc/23/05/46/527230546.db2.gz STIWZPHVHRORKD-IUODEOHRSA-N 0 3 266.360 2.062 10 0 CEAEHN NCc1cc(CN2CCC[C@@H]2c2ccncc2)ccn1 ZINC000068749661 527247021 /nfs/dbraw/zinc/24/70/21/527247021.db2.gz FAYNUOIUEWSSFA-MRXNPFEDSA-N 0 3 268.364 2.272 10 0 CEAEHN NCc1cc(COc2ccc(F)c(F)c2)ccn1 ZINC000068751738 527247125 /nfs/dbraw/zinc/24/71/25/527247125.db2.gz JPQNNPNUBDXHSJ-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN NCc1cc(Cl)ccc1OCCn1cccn1 ZINC000049313556 527248874 /nfs/dbraw/zinc/24/88/74/527248874.db2.gz KKTRUBPYLIIEJK-UHFFFAOYSA-N 0 3 251.717 2.074 10 0 CEAEHN NCc1cccc(C(=O)N2Cc3ccccc3C2)c1 ZINC000050910382 527258447 /nfs/dbraw/zinc/25/84/47/527258447.db2.gz DACFMIAMBXKZCT-UHFFFAOYSA-N 0 3 252.317 2.301 10 0 CEAEHN NCc1cnn(CCOc2cccc(Br)c2)c1 ZINC000054716817 527264745 /nfs/dbraw/zinc/26/47/45/527264745.db2.gz UXTDXHZVSGZQJQ-UHFFFAOYSA-N 0 3 296.168 2.183 10 0 CEAEHN O=C(Nc1ccc2n[nH]cc2c1)c1ccc2c(c1)CNC2 ZINC000156680999 527266905 /nfs/dbraw/zinc/26/69/05/527266905.db2.gz LJCASNBVBBZGBY-UHFFFAOYSA-N 0 3 278.315 2.418 10 0 CEAEHN NNc1ccc(Cl)c(CN2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000061638611 527280576 /nfs/dbraw/zinc/28/05/76/527280576.db2.gz PIVVABCRYSPPLK-QWHCGFSZSA-N 0 3 296.802 2.164 10 0 CEAEHN N[C@@H](Cn1ncccc1=O)c1cccc2ccccc21 ZINC000061402831 527337699 /nfs/dbraw/zinc/33/76/99/527337699.db2.gz ALHCYJANDIUUDX-HNNXBMFYSA-N 0 3 265.316 2.097 10 0 CEAEHN N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccccc1C(F)(F)F ZINC000070293796 527340844 /nfs/dbraw/zinc/34/08/44/527340844.db2.gz MPPLPNTYQGIDFS-YPMHNXCESA-N 0 3 284.281 2.469 10 0 CEAEHN N[C@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000049648311 527411723 /nfs/dbraw/zinc/41/17/23/527411723.db2.gz VFFAQHTXQMUVRX-VIFPVBQESA-N 0 3 278.661 2.423 10 0 CEAEHN C(c1nc(C2CCCC2)no1)N1CCN2CCCC[C@@H]2C1 ZINC000157555332 527495990 /nfs/dbraw/zinc/49/59/90/527495990.db2.gz VEFAOUTZGGWKNR-CQSZACIVSA-N 0 3 290.411 2.397 10 0 CEAEHN Nc1cnn(CCN2CCC(Cc3ccccc3)CC2)c1 ZINC000050614650 527538912 /nfs/dbraw/zinc/53/89/12/527538912.db2.gz GFFWEBRPJTYHRV-UHFFFAOYSA-N 0 3 284.407 2.420 10 0 CEAEHN OCCN(Cc1ccccc1)C[C@H]1COC2(CCCC2)O1 ZINC000050515360 527549908 /nfs/dbraw/zinc/54/99/08/527549908.db2.gz SYGKGSIWJJGVFN-INIZCTEOSA-N 0 3 291.391 2.167 10 0 CEAEHN OC[C@H](NC[C@@H]1CCCO1)c1ccc2ncccc2c1 ZINC000069504747 527608977 /nfs/dbraw/zinc/60/89/77/527608977.db2.gz JOFXRCZPDMSJSX-HOCLYGCPSA-N 0 3 272.348 2.037 10 0 CEAEHN Cn1nccc1[C@H](N)Cc1ccccc1Br ZINC000069021679 527628028 /nfs/dbraw/zinc/62/80/28/527628028.db2.gz HHFNWROPFWWERJ-LLVKDONJSA-N 0 3 280.169 2.425 10 0 CEAEHN Cc1nn(C)c(N2C[C@H]3CC[C@@H]2C3)c1CNCC(C)C ZINC000062737432 527676441 /nfs/dbraw/zinc/67/64/41/527676441.db2.gz UQMHRMKVNOUBBF-UONOGXRCSA-N 0 3 276.428 2.463 10 0 CEAEHN CC[C@@H]1COCCN1c1nc(C(F)(F)F)ccc1CN ZINC000094334138 535837401 /nfs/dbraw/zinc/83/74/01/535837401.db2.gz XMUBJBYXUADVMV-SNVBAGLBSA-N 0 3 289.301 2.174 10 0 CEAEHN CC(C)[C@H](NCc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000107323280 567850122 /nfs/dbraw/zinc/85/01/22/567850122.db2.gz RHTWRGVOWBRTET-NSHDSACASA-N 0 3 274.286 2.305 10 0 CEAEHN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000176198700 624183957 /nfs/dbraw/zinc/18/39/57/624183957.db2.gz BGSDKYIBJBCQBU-ZQDZILKHSA-N 0 3 288.391 2.017 10 0 CEAEHN Cc1cc(CNCC[C@@H](C)NC(=O)OC(C)(C)C)on1 ZINC000309996572 628237254 /nfs/dbraw/zinc/23/72/54/628237254.db2.gz BWIAIIKEKHBBPA-SNVBAGLBSA-N 0 3 283.372 2.376 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000236897935 628740304 /nfs/dbraw/zinc/74/03/04/628740304.db2.gz XAWGMARDWJFXDU-IINYFYTJSA-N 0 3 291.395 2.009 10 0 CEAEHN Cc1nsc(NC[C@@H]2NCCc3ccccc32)n1 ZINC000261574292 628939518 /nfs/dbraw/zinc/93/95/18/628939518.db2.gz MSBJQCZGFKPNCS-LBPRGKRZSA-N 0 3 260.366 2.145 10 0 CEAEHN Cn1cc([C@H]2CCCN2Cc2cccc(N)c2)cn1 ZINC000261583212 628942391 /nfs/dbraw/zinc/94/23/91/628942391.db2.gz HCASDRHOLALOTA-OAHLLOKOSA-N 0 3 256.353 2.339 10 0 CEAEHN CO[C@@H](CN)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000227373839 639588411 /nfs/dbraw/zinc/58/84/11/639588411.db2.gz BYRATDLLLVZOAA-CPCISQLKSA-N 0 3 291.178 2.144 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@H](CNCc2nccs2)C1 ZINC000230166998 639742889 /nfs/dbraw/zinc/74/28/89/639742889.db2.gz JZUSSGHHBFFWTC-NSHDSACASA-N 0 3 297.424 2.490 10 0 CEAEHN CC[C@@H](C)[C@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939132 361799048 /nfs/dbraw/zinc/79/90/48/361799048.db2.gz OPIVTJSOFLQCET-OQPBUACISA-N 0 3 261.325 2.380 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CCOCC1)c1ccc(Cl)s1 ZINC000127780068 187333115 /nfs/dbraw/zinc/33/31/15/187333115.db2.gz YZUNUCOYHJWEAC-MRVPVSSYSA-N 0 3 288.800 2.087 10 0 CEAEHN CCC[C@@H](C(=O)NCc1nc(C)c(C)s1)N(C)C ZINC000125015117 187165659 /nfs/dbraw/zinc/16/56/59/187165659.db2.gz FPWQZMDXONWIOD-NSHDSACASA-N 0 3 269.414 2.106 10 0 CEAEHN COc1cc(C)c(/C=C/C(=O)NCCN(C)C)c(C)c1 ZINC000096754250 185111345 /nfs/dbraw/zinc/11/13/45/185111345.db2.gz QRGYKNFQXIMSJB-VOTSOKGWSA-N 0 3 276.380 2.003 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)[N@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000096818539 185115766 /nfs/dbraw/zinc/11/57/66/185115766.db2.gz HQFAWNLBUBYSFW-DOMZBBRYSA-N 0 3 270.417 2.338 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)[N@@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000096818539 185115767 /nfs/dbraw/zinc/11/57/67/185115767.db2.gz HQFAWNLBUBYSFW-DOMZBBRYSA-N 0 3 270.417 2.338 10 0 CEAEHN C[NH2+][C@@](C)(C[C@@H](C)N(CCC(C)C)C1CC1)C(=O)[O-] ZINC000096818539 185115768 /nfs/dbraw/zinc/11/57/68/185115768.db2.gz HQFAWNLBUBYSFW-DOMZBBRYSA-N 0 3 270.417 2.338 10 0 CEAEHN CN(CCO)Cc1ccccc1[C@H](O)c1ccccc1 ZINC000039260121 361987557 /nfs/dbraw/zinc/98/75/57/361987557.db2.gz NHTAQNXZFMZXBU-QGZVFWFLSA-N 0 3 271.360 2.192 10 0 CEAEHN Brc1cccc2c(N3CCNCC3)ccnc12 ZINC000040175318 361991343 /nfs/dbraw/zinc/99/13/43/361991343.db2.gz TZIBBNBFNKSQHH-UHFFFAOYSA-N 0 3 292.180 2.407 10 0 CEAEHN Cc1c2c(ccc1Br)[C@@]1(C[C@H]1N)CN2 ZINC000725246948 539191945 /nfs/dbraw/zinc/19/19/45/539191945.db2.gz BJXBOTUXDXXZIH-MWLCHTKSSA-N 0 3 253.143 2.152 10 0 CEAEHN CCC[C@@H](N)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832829 362004226 /nfs/dbraw/zinc/00/42/26/362004226.db2.gz QDPZPFXBLTUMKH-GFCCVEGCSA-N 0 3 286.322 2.074 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2cc(C)oc2C)C1 ZINC000092052535 539229306 /nfs/dbraw/zinc/22/93/06/539229306.db2.gz MCWIXDMTEMNAHK-JSGCOSHPSA-N 0 3 266.385 2.268 10 0 CEAEHN COC[C@@H](N[C@@H](CN(C)C)c1ccccc1)C1CC1 ZINC000126039342 187212198 /nfs/dbraw/zinc/21/21/98/187212198.db2.gz MMOYKFCYNXZGNA-JKSUJKDBSA-N 0 3 262.397 2.304 10 0 CEAEHN CCN1CCO[C@@H](CNCc2sccc2Cl)C1 ZINC000310263036 539276326 /nfs/dbraw/zinc/27/63/26/539276326.db2.gz ZYEMYWXLGWVHQR-JTQLQIEISA-N 0 3 274.817 2.212 10 0 CEAEHN Cc1cc(F)c(C(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000133897393 539276434 /nfs/dbraw/zinc/27/64/34/539276434.db2.gz ZAGLEGSSCWRNFY-SNVBAGLBSA-N 0 3 268.307 2.049 10 0 CEAEHN CC(C)OC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000200127441 539277583 /nfs/dbraw/zinc/27/75/83/539277583.db2.gz YHFAMHNJNUQASN-AWEZNQCLSA-N 0 3 262.353 2.396 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)C[C@@H](C)SC ZINC000126377453 365708223 /nfs/dbraw/zinc/70/82/23/365708223.db2.gz XAQOEDSKRCAVRA-NEPJUHHUSA-N 0 3 258.431 2.071 10 0 CEAEHN C[C@@H](NC[C@H](O)Cn1cccn1)c1ccc(Cl)s1 ZINC000042587546 362105225 /nfs/dbraw/zinc/10/52/25/362105225.db2.gz MIFSPVBCBDUFOM-ZJUUUORDSA-N 0 3 285.800 2.310 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C(C1CC1)C1CC1 ZINC000126427524 365710507 /nfs/dbraw/zinc/71/05/07/365710507.db2.gz YECRQCVHSRAKSO-CQSZACIVSA-N 0 3 264.413 2.365 10 0 CEAEHN CC[C@H](O)CN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000174077556 529701962 /nfs/dbraw/zinc/70/19/62/529701962.db2.gz IRFPEBXCPMXEFP-FUHWJXTLSA-N 0 3 288.435 2.453 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2coc3ccccc23)CC1 ZINC000123502102 529700930 /nfs/dbraw/zinc/70/09/30/529700930.db2.gz IADOAEVXLOCOCO-HNNXBMFYSA-N 0 3 288.391 2.321 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000037166305 343426035 /nfs/dbraw/zinc/42/60/35/343426035.db2.gz GZKLEJQLADTNFI-DLBZAZTESA-N 0 3 285.391 2.325 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2cnc3ccccc3n2)C1 ZINC000037321177 343426589 /nfs/dbraw/zinc/42/65/89/343426589.db2.gz QVMLZTRBKYDSCN-AAEUAGOBSA-N 0 3 257.337 2.023 10 0 CEAEHN CCC[C@@H](N)C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000037801405 343430846 /nfs/dbraw/zinc/43/08/46/343430846.db2.gz XLABUUIRCXJGGJ-TZMCWYRMSA-N 0 3 296.436 2.383 10 0 CEAEHN c1ccc2nc(CNCC[C@@H]3CCCO3)cnc2c1 ZINC000038054764 343432831 /nfs/dbraw/zinc/43/28/31/343432831.db2.gz OKJRXRIGDHOHTB-ZDUSSCGKSA-N 0 3 257.337 2.289 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccsc2)C1 ZINC000252646006 539321275 /nfs/dbraw/zinc/32/12/75/539321275.db2.gz RHXBAVLDCGSGPK-YPMHNXCESA-N 0 3 254.399 2.119 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)CSCC(F)(F)F)[C@@H](C)C1 ZINC000128225597 365780354 /nfs/dbraw/zinc/78/03/54/365780354.db2.gz KFMJHOPPGQYFAV-UWVGGRQHSA-N 0 3 298.374 2.127 10 0 CEAEHN N[C@H](CNC(=O)OCc1ccccc1)Cc1ccccc1 ZINC000059221323 343652117 /nfs/dbraw/zinc/65/21/17/343652117.db2.gz NHWVAWJPZOHIOG-INIZCTEOSA-N 0 3 284.359 2.483 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCCOC2CCCC2)C1 ZINC000064241006 343687051 /nfs/dbraw/zinc/68/70/51/343687051.db2.gz IOGBNFSYFNVBSI-CQSZACIVSA-N 0 3 297.443 2.119 10 0 CEAEHN Cc1noc(-c2ccnc(NC[C@H]3CCCN(C)C3)c2)n1 ZINC000091482610 344164789 /nfs/dbraw/zinc/16/47/89/344164789.db2.gz SSLCRMSCIHJAOU-GFCCVEGCSA-N 0 3 287.367 2.194 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccccc2F)C1 ZINC000113267360 344276304 /nfs/dbraw/zinc/27/63/04/344276304.db2.gz HFTSMURWBDKUQX-STQMWFEESA-N 0 3 266.360 2.197 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1cc(C(=O)OC)cs1 ZINC000602471637 347047087 /nfs/dbraw/zinc/04/70/87/347047087.db2.gz BZFPMAWAZWBCFC-ZDUSSCGKSA-N 0 3 296.436 2.451 10 0 CEAEHN CC(C)CCC[C@@H](C)NC(=O)C(C)(C)N1CCNCC1 ZINC000129700207 344346246 /nfs/dbraw/zinc/34/62/46/344346246.db2.gz SUUHOVICYJRLCN-CQSZACIVSA-N 0 3 283.460 2.001 10 0 CEAEHN CCN1CCO[C@H](CNCc2cc(C)c(C)cc2C)C1 ZINC000134438838 344374143 /nfs/dbraw/zinc/37/41/43/344374143.db2.gz RHZPZUFGDZYOPH-QGZVFWFLSA-N 0 3 276.424 2.422 10 0 CEAEHN OC1(CN[C@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000162590720 344468110 /nfs/dbraw/zinc/46/81/10/344468110.db2.gz BUMOREMNKUDJKX-ZDUSSCGKSA-N 0 3 297.395 2.494 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2)C1 ZINC000170830241 344490872 /nfs/dbraw/zinc/49/08/72/344490872.db2.gz MSFNYVUJGAQDOS-HNNXBMFYSA-N 0 3 289.423 2.310 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000170868198 344491704 /nfs/dbraw/zinc/49/17/04/344491704.db2.gz ZKZGGVDAHBDZPL-YJBOKZPZSA-N 0 3 286.419 2.443 10 0 CEAEHN COc1ccc(CN2CC[C@H](CCO)C2)c(F)c1 ZINC000228635222 344563086 /nfs/dbraw/zinc/56/30/86/344563086.db2.gz HPOFIMIJOXKKMW-LLVKDONJSA-N 0 3 253.317 2.039 10 0 CEAEHN CC(C)c1ccc([C@H](O)CN2CCC(O)CC2)cc1 ZINC000051590138 362432373 /nfs/dbraw/zinc/43/23/73/362432373.db2.gz MKNZPHXJCCHAEB-MRXNPFEDSA-N 0 3 263.381 2.300 10 0 CEAEHN N[C@@H](CC1OCCO1)c1sccc1Br ZINC000236303703 344595450 /nfs/dbraw/zinc/59/54/50/344595450.db2.gz PZVSMRBACHRKQE-ZETCQYMHSA-N 0 3 278.171 2.273 10 0 CEAEHN O=C1NCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 ZINC000050394104 362416917 /nfs/dbraw/zinc/41/69/17/362416917.db2.gz ZTAXKZGCOHELEK-LLVKDONJSA-N 0 3 272.270 2.074 10 0 CEAEHN N[C@H](CF)c1ccc(I)cc1 ZINC000238685014 344607527 /nfs/dbraw/zinc/60/75/27/344607527.db2.gz NVRNYKAZRQWZDP-MRVPVSSYSA-N 0 3 265.069 2.261 10 0 CEAEHN C[C@@H]([C@H](N)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000307144017 344720202 /nfs/dbraw/zinc/72/02/02/344720202.db2.gz LKTXRDJQQSLQOD-NHYWBVRUSA-N 0 3 280.327 2.371 10 0 CEAEHN Cc1cc(CN)cc(N2C(=O)c3ccccc3C2=O)c1 ZINC000307633657 344724055 /nfs/dbraw/zinc/72/40/55/344724055.db2.gz OGFYJHHNQSXJSW-UHFFFAOYSA-N 0 3 266.300 2.254 10 0 CEAEHN Cc1ncccc1CN(C)C[C@@H]1CCc2nccn2C1 ZINC000328645207 344758221 /nfs/dbraw/zinc/75/82/21/344758221.db2.gz SCRBGTAALXAKDK-AWEZNQCLSA-N 0 3 270.380 2.281 10 0 CEAEHN Cc1ncsc1CN(C)C[C@H]1CCc2nccn2C1 ZINC000328625695 344756467 /nfs/dbraw/zinc/75/64/67/344756467.db2.gz DKXNAGJSUHGHBZ-GFCCVEGCSA-N 0 3 276.409 2.342 10 0 CEAEHN CC(C)(C)OC(=O)N1CCCc2nc(CN)ccc21 ZINC000393899847 344840726 /nfs/dbraw/zinc/84/07/26/344840726.db2.gz DCKHIBLVVGEXMB-UHFFFAOYSA-N 0 3 263.341 2.228 10 0 CEAEHN OCCN1CCC[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC000384749153 344829077 /nfs/dbraw/zinc/82/90/77/344829077.db2.gz RXBFSXKJFKKKHW-CYBMUJFWSA-N 0 3 286.778 2.025 10 0 CEAEHN Nc1ccncc1[C@@H](O)Cc1ccc(F)cc1F ZINC000083882387 178757326 /nfs/dbraw/zinc/75/73/26/178757326.db2.gz KTHMKDWGKPKDNJ-ZDUSSCGKSA-N 0 3 250.248 2.218 10 0 CEAEHN CC(C)(C)c1csc(CN2CC[C@H]3OCCN[C@H]3C2)n1 ZINC000403985951 344878024 /nfs/dbraw/zinc/87/80/24/344878024.db2.gz CBNQILSRHSNGNC-NWDGAFQWSA-N 0 3 295.452 2.003 10 0 CEAEHN N[C@H](C[S@](=O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000084040532 178776615 /nfs/dbraw/zinc/77/66/15/178776615.db2.gz MDPXDHFNKYXKSS-ZUOKHONESA-N 0 3 295.404 2.497 10 0 CEAEHN C[NH2+][C@@H](C)c1nc2cc(Br)cnc2[n-]1 ZINC000054053063 362507547 /nfs/dbraw/zinc/50/75/47/362507547.db2.gz JSLBUXMKLJXNKV-YFKPBYRVSA-N 0 3 255.119 2.001 10 0 CEAEHN CN[C@@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000054053063 362507550 /nfs/dbraw/zinc/50/75/50/362507550.db2.gz JSLBUXMKLJXNKV-YFKPBYRVSA-N 0 3 255.119 2.001 10 0 CEAEHN C[NH2+][C@H](C)c1nc2cc(Br)cnc2[n-]1 ZINC000054053064 362507688 /nfs/dbraw/zinc/50/76/88/362507688.db2.gz JSLBUXMKLJXNKV-RXMQYKEDSA-N 0 3 255.119 2.001 10 0 CEAEHN CN[C@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000054053064 362507689 /nfs/dbraw/zinc/50/76/89/362507689.db2.gz JSLBUXMKLJXNKV-RXMQYKEDSA-N 0 3 255.119 2.001 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(CC(C)C)C2CC2)C1 ZINC000057870481 362597754 /nfs/dbraw/zinc/59/77/54/362597754.db2.gz GUEDMDXUIGAZFX-CYBMUJFWSA-N 0 3 267.417 2.301 10 0 CEAEHN CCN[C@H](Cc1cccnc1)c1cc(C)nnc1C ZINC000097390830 185597448 /nfs/dbraw/zinc/59/74/48/185597448.db2.gz RGNRTUTYKPFISN-OAHLLOKOSA-N 0 3 256.353 2.382 10 0 CEAEHN COc1ccc(C)cc1[C@H](NN)C(C)(C)N1CCCC1 ZINC000097581254 185630173 /nfs/dbraw/zinc/63/01/73/185630173.db2.gz IHHCCESQRVNXKQ-HNNXBMFYSA-N 0 3 277.412 2.382 10 0 CEAEHN CCOc1ccc([C@H](NN)[C@](C)(CC)N(C)C)cc1 ZINC000097582963 185631266 /nfs/dbraw/zinc/63/12/66/185631266.db2.gz XNILVJHFRZJNKW-GJZGRUSLSA-N 0 3 265.401 2.320 10 0 CEAEHN CC(C)Oc1cncc([C@H](NN)C2(N(C)C)CCCC2)c1 ZINC000097587743 185633364 /nfs/dbraw/zinc/63/33/64/185633364.db2.gz CAEHGRIMXRNUQC-HNNXBMFYSA-N 0 3 292.427 2.248 10 0 CEAEHN Cc1cccc(OC[C@](N)(CO)c2ccccc2)c1 ZINC000085284895 179002567 /nfs/dbraw/zinc/00/25/67/179002567.db2.gz DFKYSQSSNXOGMV-MRXNPFEDSA-N 0 3 257.333 2.220 10 0 CEAEHN Cc1ccc2[nH]c(SC[C@H](CO)NC3CC3)nc2c1 ZINC000085288334 179005445 /nfs/dbraw/zinc/00/54/45/179005445.db2.gz SVHSZRXXCNZWTE-NSHDSACASA-N 0 3 277.393 2.076 10 0 CEAEHN Cc1ccc2nc(SC[C@H](CO)NC3CC3)[nH]c2c1 ZINC000085288334 179005449 /nfs/dbraw/zinc/00/54/49/179005449.db2.gz SVHSZRXXCNZWTE-NSHDSACASA-N 0 3 277.393 2.076 10 0 CEAEHN CN[C@](CO)(CSc1ccccn1)c1ccccc1 ZINC000085292011 179008035 /nfs/dbraw/zinc/00/80/35/179008035.db2.gz HXKGUVKBSSUNSL-OAHLLOKOSA-N 0 3 274.389 2.281 10 0 CEAEHN COC(CN[C@H]1C[C@H](OCC(C)C)C1(C)C)OC ZINC000085400639 179052000 /nfs/dbraw/zinc/05/20/00/179052000.db2.gz LSWXZYMAQHSPIQ-RYUDHWBXSA-N 0 3 259.390 2.035 10 0 CEAEHN C[C@@H]1CN[C@@](C)(c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085531823 179091726 /nfs/dbraw/zinc/09/17/26/179091726.db2.gz WIHAMYFYBLZFDE-RHSMWYFYSA-N 0 3 284.407 2.129 10 0 CEAEHN Cc1nccc(CN[C@H]2[C@H]3CCCO[C@@H]3C2(C)C)n1 ZINC000085674995 179111939 /nfs/dbraw/zinc/11/19/39/179111939.db2.gz LGXYNNLBZXGCGD-RDBSUJKOSA-N 0 3 261.369 2.078 10 0 CEAEHN COc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1O ZINC000128430830 187369878 /nfs/dbraw/zinc/36/98/78/187369878.db2.gz RHNONGCYRFYOQK-CYBMUJFWSA-N 0 3 287.363 2.124 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000236922711 370655690 /nfs/dbraw/zinc/65/56/90/370655690.db2.gz AELXXJMUQGIPCL-VHSXEESVSA-N 0 3 266.307 2.351 10 0 CEAEHN COc1nc2sccn2c1CNC[C@@H]1CCCC[C@@H]1O ZINC000085973265 179207180 /nfs/dbraw/zinc/20/71/80/179207180.db2.gz CJQGHEJOOHPFDM-JQWIXIFHSA-N 0 3 295.408 2.045 10 0 CEAEHN Cc1nccc(CN2CCN[C@@](C)(c3ccccc3)C2)n1 ZINC000086146276 179238523 /nfs/dbraw/zinc/23/85/23/179238523.db2.gz AKIFWRBMVQPKTL-QGZVFWFLSA-N 0 3 282.391 2.106 10 0 CEAEHN CCn1cc(N2CCN[C@](C)(c3ccccc3)C2)cn1 ZINC000086127910 179235678 /nfs/dbraw/zinc/23/56/78/179235678.db2.gz GLYGIKHTWKCUNX-INIZCTEOSA-N 0 3 270.380 2.228 10 0 CEAEHN CC(C)[C@H]1CSC(NCCc2cscn2)=N1 ZINC000086127317 179235905 /nfs/dbraw/zinc/23/59/05/179235905.db2.gz OJMCRSCPUDTHFI-SNVBAGLBSA-N 0 3 255.412 2.403 10 0 CEAEHN Cn1cc([C@H]2CCN(Cc3c[nH]nc3C(C)(C)C)C2)cn1 ZINC000128494971 187374667 /nfs/dbraw/zinc/37/46/67/187374667.db2.gz GWAAOISDRMWDIX-LBPRGKRZSA-N 0 3 287.411 2.430 10 0 CEAEHN CSCCN1CCN[C@](C)(c2ccccc2)C1 ZINC000086149790 179240494 /nfs/dbraw/zinc/24/04/94/179240494.db2.gz HSFQAKZFUYCGCY-AWEZNQCLSA-N 0 3 250.411 2.170 10 0 CEAEHN c1csc(CCN2CCN[C@@H](c3ccccc3)C2)n1 ZINC000086148917 179239639 /nfs/dbraw/zinc/23/96/39/179239639.db2.gz CPDNCWGYBLWIHJ-CQSZACIVSA-N 0 3 273.405 2.332 10 0 CEAEHN C[C@@H]1CN(c2nc(Br)cs2)C[C@H](C)N1 ZINC000086278401 179262966 /nfs/dbraw/zinc/26/29/66/179262966.db2.gz FUPPPKNCKXZBDL-KNVOCYPGSA-N 0 3 276.203 2.092 10 0 CEAEHN COc1ccc(CN[C@H]2CCCC[C@H]2CO)c(F)c1 ZINC000231311353 539567096 /nfs/dbraw/zinc/56/70/96/539567096.db2.gz PXROSVRJQSJLIV-WFASDCNBSA-N 0 3 267.344 2.475 10 0 CEAEHN CN[C@H]1CCCc2sc(N(C)CCN3CCCC3)nc21 ZINC000086444101 179293438 /nfs/dbraw/zinc/29/34/38/179293438.db2.gz GTOKDHKYPSEANB-LBPRGKRZSA-N 0 3 294.468 2.272 10 0 CEAEHN CCN1CCN(c2nc3c(s2)CCC[C@@H]3NC)C[C@@H]1C ZINC000086444155 179293457 /nfs/dbraw/zinc/29/34/57/179293457.db2.gz KCONPKKDPVQKML-RYUDHWBXSA-N 0 3 294.468 2.270 10 0 CEAEHN CN[C@H]1CCCc2sc(N(C)C3CCN(C)CC3)nc21 ZINC000086442035 179293883 /nfs/dbraw/zinc/29/38/83/179293883.db2.gz UWCXOPMIVCCYKY-LBPRGKRZSA-N 0 3 294.468 2.270 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(C)ccc2O)[C@@H](CC)CN1 ZINC000086446328 179294690 /nfs/dbraw/zinc/29/46/90/179294690.db2.gz REXIUUBYSZLCQL-OLZOCXBDSA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccsc1 ZINC000086446029 179294771 /nfs/dbraw/zinc/29/47/71/179294771.db2.gz PQKFTEPANLZBFS-NWDGAFQWSA-N 0 3 252.383 2.351 10 0 CEAEHN CC[C@H]1CN(C(=O)Cc2ccccc2F)[C@@H](CC)CN1 ZINC000086447319 179295929 /nfs/dbraw/zinc/29/59/29/179295929.db2.gz ZZASFTGTWDLAEK-KBPBESRZSA-N 0 3 278.371 2.357 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000086467835 179297720 /nfs/dbraw/zinc/29/77/20/179297720.db2.gz CUNOGNKCFYXCQY-ZJUUUORDSA-N 0 3 282.771 2.171 10 0 CEAEHN N[C@@]1(c2cscc2Br)CCCOC1 ZINC000086554051 179307276 /nfs/dbraw/zinc/30/72/76/179307276.db2.gz SBIDOBPYWNDUJS-VIFPVBQESA-N 0 3 262.172 2.475 10 0 CEAEHN C[C@@H]1CN=C(NCc2ccc3c(c2)OCO3)SC1 ZINC000086633443 179315187 /nfs/dbraw/zinc/31/51/87/179315187.db2.gz FWPGQEGDVGTKCG-SECBINFHSA-N 0 3 264.350 2.244 10 0 CEAEHN COC(OC)[C@@H](N)Cc1cc(F)cc(Br)c1 ZINC000086696437 179320798 /nfs/dbraw/zinc/32/07/98/179320798.db2.gz GEDPFFXFQVFKHO-JTQLQIEISA-N 0 3 292.148 2.077 10 0 CEAEHN COCCNC[C@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086645408 179316645 /nfs/dbraw/zinc/31/66/45/179316645.db2.gz JFAXLTPFOBBUOS-VIFPVBQESA-N 0 3 269.414 2.118 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@H]1NCCCc1ccccc1 ZINC000086671057 179318056 /nfs/dbraw/zinc/31/80/56/179318056.db2.gz ZHHZOEDFBNLKQG-HUUCEWRRSA-N 0 3 281.421 2.175 10 0 CEAEHN NN=c1[nH]cc(CN2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000086767401 179325822 /nfs/dbraw/zinc/32/58/22/179325822.db2.gz XMPJUJHGVPWPOG-WDEREUQCSA-N 0 3 266.414 2.441 10 0 CEAEHN COc1ccc([C@]2(O)CCCN(C)CC2)c(OC)c1 ZINC000086834123 179350371 /nfs/dbraw/zinc/35/03/71/179350371.db2.gz ISCIDNYMPDAAHI-HNNXBMFYSA-N 0 3 265.353 2.007 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CC)CCC(=O)[O-])CC1 ZINC000086868856 179362242 /nfs/dbraw/zinc/36/22/42/179362242.db2.gz GSVZRTUOZJFLBD-ZDUSSCGKSA-N 0 3 256.390 2.048 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CC)CCC(=O)[O-])CC1 ZINC000086868856 179362244 /nfs/dbraw/zinc/36/22/44/179362244.db2.gz GSVZRTUOZJFLBD-ZDUSSCGKSA-N 0 3 256.390 2.048 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CC)C(C)(C)C(=O)[O-])CC1 ZINC000086868922 179362281 /nfs/dbraw/zinc/36/22/81/179362281.db2.gz VMZIKILJIZFPMW-CYBMUJFWSA-N 0 3 270.417 2.436 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CC)C(C)(C)C(=O)[O-])CC1 ZINC000086868922 179362283 /nfs/dbraw/zinc/36/22/83/179362283.db2.gz VMZIKILJIZFPMW-CYBMUJFWSA-N 0 3 270.417 2.436 10 0 CEAEHN CCC[C@](C)([NH2+][C@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086868657 179362471 /nfs/dbraw/zinc/36/24/71/179362471.db2.gz HVNZCNGIEKGVJX-ZFWWWQNUSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)N1CCC[C@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849875 179358512 /nfs/dbraw/zinc/35/85/12/179358512.db2.gz XMFYSHDFUKCNNO-QGZVFWFLSA-N 0 3 290.407 2.494 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1cccc(F)c1 ZINC000086978490 179372446 /nfs/dbraw/zinc/37/24/46/179372446.db2.gz VYQWRMYRQHSUEF-GFCCVEGCSA-N 0 3 259.346 2.040 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](NC)c1cc(F)ccc1F ZINC000086979687 179372900 /nfs/dbraw/zinc/37/29/00/179372900.db2.gz ROGQANVOZSRYCC-ZDUSSCGKSA-N 0 3 291.363 2.440 10 0 CEAEHN CN[C@@]1(c2nc3c(s2)CCC3)CCCOCC1 ZINC000086876946 179365478 /nfs/dbraw/zinc/36/54/78/179365478.db2.gz XRKYIBKLAUFSCH-ZDUSSCGKSA-N 0 3 252.383 2.247 10 0 CEAEHN COC(=O)[C@@]1(NCCN(C)C)CCC[C@H](C(C)C)CC1 ZINC000086949896 179368370 /nfs/dbraw/zinc/36/83/70/179368370.db2.gz WXDMLHAHNZGGRH-GOEBONIOSA-N 0 3 284.444 2.286 10 0 CEAEHN COc1nc2sccn2c1CNCC1(O)CCCCC1 ZINC000087017655 179380922 /nfs/dbraw/zinc/38/09/22/179380922.db2.gz KKYAUKWKTROLBL-UHFFFAOYSA-N 0 3 295.408 2.189 10 0 CEAEHN CCCn1cc([C@@H](N)[C@@H]2CSCCS2)cn1 ZINC000086984264 179374228 /nfs/dbraw/zinc/37/42/28/179374228.db2.gz IPEPAJLBOKNQQJ-WDEREUQCSA-N 0 3 257.428 2.142 10 0 CEAEHN CCN([C@H](C)COC)[C@@H](CN)c1ccc(OC)c(F)c1 ZINC000086991972 179375065 /nfs/dbraw/zinc/37/50/65/179375065.db2.gz AAYJWMOHFVCGEA-RISCZKNCSA-N 0 3 284.375 2.191 10 0 CEAEHN COc1ccc([C@H](NC2CCCCC2)C(N)=O)cc1F ZINC000086992746 179375278 /nfs/dbraw/zinc/37/52/78/179375278.db2.gz STRXUQOFJIGTAW-AWEZNQCLSA-N 0 3 280.343 2.283 10 0 CEAEHN COc1ccc([C@@H]2[C@@H](N)CCC(=O)N2CC(C)C)cc1F ZINC000086995205 179376127 /nfs/dbraw/zinc/37/61/27/179376127.db2.gz LKDZZIIELZSZJO-XJKSGUPXSA-N 0 3 294.370 2.481 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2c(OC)cc(OC)cc2OC)O1 ZINC000087090293 179394388 /nfs/dbraw/zinc/39/43/88/179394388.db2.gz NTEWABMSCCUHBF-HZMBPMFUSA-N 0 3 281.352 2.152 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)NCC1(O)CCCCCC1 ZINC000087089317 179393556 /nfs/dbraw/zinc/39/35/56/179393556.db2.gz QKHSBZSENRLBGF-CYBMUJFWSA-N 0 3 284.444 2.355 10 0 CEAEHN N[C@@H]1CC(=O)N(c2ccc(Cl)c(Br)c2)C1 ZINC000087153286 179397875 /nfs/dbraw/zinc/39/78/75/179397875.db2.gz BUJVYWTZGLNREK-ZCFIWIBFSA-N 0 3 289.560 2.167 10 0 CEAEHN CNCc1cc(Br)ccc1O[C@H](C)[C@H](C)O ZINC000087125409 179396126 /nfs/dbraw/zinc/39/61/26/179396126.db2.gz AGPZQBBECGAYRB-DTWKUNHWSA-N 0 3 288.185 2.317 10 0 CEAEHN CN(CCCF)C[C@H](c1cccs1)N1CCOCC1 ZINC000128887316 187397292 /nfs/dbraw/zinc/39/72/92/187397292.db2.gz HVMPFIXHRHGEMG-CYBMUJFWSA-N 0 3 286.416 2.413 10 0 CEAEHN NCc1cc(Cl)ccc1OCC1(O)CCCC1 ZINC000087459335 179429027 /nfs/dbraw/zinc/42/90/27/179429027.db2.gz PERZHPCHZBZLII-UHFFFAOYSA-N 0 3 255.745 2.483 10 0 CEAEHN C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)[C@H]1CCCO1 ZINC000248494466 539636257 /nfs/dbraw/zinc/63/62/57/539636257.db2.gz KKUQVVGZUZCUHH-UMVBOHGHSA-N 0 3 297.420 2.006 10 0 CEAEHN CC(=O)Nc1cccc([C@@H]2CN(C(C)(C)C)CCN2)c1 ZINC000616634559 348542258 /nfs/dbraw/zinc/54/22/58/348542258.db2.gz VGNCQPUTLKCQOQ-HNNXBMFYSA-N 0 3 275.396 2.390 10 0 CEAEHN OCc1ccc([C@@H]2CNCCN2Cc2ccccc2)cc1 ZINC000616636200 348542535 /nfs/dbraw/zinc/54/25/35/348542535.db2.gz RPULVHUCESFWJO-SFHVURJKSA-N 0 3 282.387 2.325 10 0 CEAEHN CCN1CCO[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616594997 348528624 /nfs/dbraw/zinc/52/86/24/348528624.db2.gz SJVRGVKSVJNTKV-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(=O)Nc1cccc([C@@H]2CCCCN2CCO)c1 ZINC000616612145 348534000 /nfs/dbraw/zinc/53/40/00/348534000.db2.gz WYRMFICYCSMKPD-HNNXBMFYSA-N 0 3 262.353 2.164 10 0 CEAEHN CCOCOc1c(CNCCOC)cccc1OCC ZINC000087888691 179513228 /nfs/dbraw/zinc/51/32/28/179513228.db2.gz FGBXMCMVNSESMP-UHFFFAOYSA-N 0 3 283.368 2.194 10 0 CEAEHN OCCN1CCC[C@H](c2cccc3ccncc32)C1 ZINC000616617701 348535850 /nfs/dbraw/zinc/53/58/50/348535850.db2.gz FGCAKEYCXFSBKW-AWEZNQCLSA-N 0 3 256.349 2.407 10 0 CEAEHN CCOc1ccccc1OCCN1C[C@H](C)C[C@H](O)C1 ZINC000401484558 233182458 /nfs/dbraw/zinc/18/24/58/233182458.db2.gz BVYZXJMZYAZHCQ-KGLIPLIRSA-N 0 3 279.380 2.167 10 0 CEAEHN C[C@H]1C[C@H](O)CN(CCC(=O)c2ccc(F)cc2)C1 ZINC000401910207 233186033 /nfs/dbraw/zinc/18/60/33/233186033.db2.gz PYGZVHPVUIBVLV-FZMZJTMJSA-N 0 3 265.328 2.101 10 0 CEAEHN CN(Cc1ccc(Cl)cc1)[C@H](CN)c1cncn1C ZINC000090167495 179924210 /nfs/dbraw/zinc/92/42/10/179924210.db2.gz WDLNMRGGPQMOOY-CYBMUJFWSA-N 0 3 278.787 2.205 10 0 CEAEHN CCCNCc1cncn1CCOCCC(C)C ZINC000090241916 179939436 /nfs/dbraw/zinc/93/94/36/179939436.db2.gz MZEXFSVCYMUGBE-UHFFFAOYSA-N 0 3 253.390 2.445 10 0 CEAEHN CN[C@@H]1COC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000090431388 179985546 /nfs/dbraw/zinc/98/55/46/179985546.db2.gz YVUTZQRKKLTZAT-GZMMTYOYSA-N 0 3 289.162 2.166 10 0 CEAEHN CC(C)Cc1ccc(CN[C@H]2CCOC[C@H]2O)cc1 ZINC000623765679 350106522 /nfs/dbraw/zinc/10/65/22/350106522.db2.gz VZJVGCCHXGEQLH-JKSUJKDBSA-N 0 3 263.381 2.125 10 0 CEAEHN Cc1ccc2c(c1)nc([C@]1(C)COC[C@@H]1N)n2C1CC1 ZINC000090571704 180007217 /nfs/dbraw/zinc/00/72/17/180007217.db2.gz XAYTYTVQBKOAJM-GOEBONIOSA-N 0 3 271.364 2.295 10 0 CEAEHN CC(C)n1c2ccccc2nc1[C@]1(C)COC[C@H]1N ZINC000090571670 180007431 /nfs/dbraw/zinc/00/74/31/180007431.db2.gz HRCYJYMZMDYYIO-UKRRQHHQSA-N 0 3 259.353 2.232 10 0 CEAEHN C[C@@]1(c2nc(C3CCC(C)(C)CC3)no2)COC[C@H]1N ZINC000090574146 180008518 /nfs/dbraw/zinc/00/85/18/180008518.db2.gz LRDLBOJYFTTWNG-IAQYHMDHSA-N 0 3 279.384 2.369 10 0 CEAEHN CCc1cccc(CC)c1NC(=O)[C@]1(C)COC[C@@H]1N ZINC000090580280 180008729 /nfs/dbraw/zinc/00/87/29/180008729.db2.gz XDRKNDZQCBAGCH-XJKSGUPXSA-N 0 3 276.380 2.114 10 0 CEAEHN CCN(C(=O)[C@]1(C)COC[C@@H]1N)[C@H](C)c1ccc(F)cc1 ZINC000090593618 180009948 /nfs/dbraw/zinc/00/99/48/180009948.db2.gz OUOUJCGSABCAJT-DIOULYMOSA-N 0 3 294.370 2.099 10 0 CEAEHN C[C@@H](OCCC(=O)Nc1cccc(CN)c1)C(F)(F)F ZINC000090671941 180021229 /nfs/dbraw/zinc/02/12/29/180021229.db2.gz UACMSQMORKRWBW-SECBINFHSA-N 0 3 290.285 2.441 10 0 CEAEHN CC(C)(C)C(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000090700525 180027770 /nfs/dbraw/zinc/02/77/70/180027770.db2.gz HSWFAWNHOPYVLF-CYBMUJFWSA-N 0 3 284.469 2.462 10 0 CEAEHN COC(=O)c1cc(NC[C@H](C)N2CCCCC2)ccn1 ZINC000090737364 180034014 /nfs/dbraw/zinc/03/40/14/180034014.db2.gz WOYZLZWLWGCWPN-LBPRGKRZSA-N 0 3 277.368 2.155 10 0 CEAEHN COc1cc(CNC[C@@H]2Cc3ccccc3O2)ccn1 ZINC000090874608 180051021 /nfs/dbraw/zinc/05/10/21/180051021.db2.gz XUYWRHJSIRHIFF-AWEZNQCLSA-N 0 3 270.332 2.184 10 0 CEAEHN CC(=O)[C@H]1CCCN(C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893212 180055192 /nfs/dbraw/zinc/05/51/92/180055192.db2.gz CTMHWNPVIPYPCS-WFASDCNBSA-N 0 3 277.339 2.430 10 0 CEAEHN COc1cc(CNC[C@H]2Cc3cc(C)ccc3O2)ccn1 ZINC000090897988 180057160 /nfs/dbraw/zinc/05/71/60/180057160.db2.gz KULRKVIEFWZLEF-OAHLLOKOSA-N 0 3 284.359 2.492 10 0 CEAEHN COC(=O)[C@H](C)CN(C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900868 180059375 /nfs/dbraw/zinc/05/93/75/180059375.db2.gz OFUDIWFXJGLXOK-OCCSQVGLSA-N 0 3 277.364 2.039 10 0 CEAEHN CNCc1cnc(C)n1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090901953 180059781 /nfs/dbraw/zinc/05/97/81/180059781.db2.gz OKVCFGPPBSRCNQ-OAHLLOKOSA-N 0 3 271.364 2.223 10 0 CEAEHN NC[C@@H](c1ccccc1OC(F)F)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905805 180060751 /nfs/dbraw/zinc/06/07/51/180060751.db2.gz FJFBWVOEAHJIDD-LOWVWBTDSA-N 0 3 298.333 2.151 10 0 CEAEHN COCCN(Cc1csc([C@H](C)N)n1)CC(C)C ZINC000090958282 180075204 /nfs/dbraw/zinc/07/52/04/180075204.db2.gz WOKLPZKFLCQNRE-NSHDSACASA-N 0 3 271.430 2.267 10 0 CEAEHN C[C@@H](NCc1sccc1N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000090960127 180075436 /nfs/dbraw/zinc/07/54/36/180075436.db2.gz ZFKWXHDZPVPNQM-MRVPVSSYSA-N 0 3 288.376 2.351 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H](C)[C@@H]1CCCO1 ZINC000090959277 180075678 /nfs/dbraw/zinc/07/56/78/180075678.db2.gz ZMLVYAPPQMXYFR-SKDRFNHKSA-N 0 3 268.382 2.364 10 0 CEAEHN CO[C@@H]1CCC[C@H]1NCc1ccccc1NC(C)=O ZINC000090962519 180077130 /nfs/dbraw/zinc/07/71/30/180077130.db2.gz KOMPPPUQJDVTDZ-HUUCEWRRSA-N 0 3 262.353 2.302 10 0 CEAEHN FC(F)(F)COCCNCc1c[nH]c2ncccc12 ZINC000091018475 180087208 /nfs/dbraw/zinc/08/72/08/180087208.db2.gz GWUVYPMSHBHHFO-UHFFFAOYSA-N 0 3 273.258 2.231 10 0 CEAEHN CCn1cccc1CNC[C@H](c1ccco1)N(C)C ZINC000091022747 180088687 /nfs/dbraw/zinc/08/86/87/180088687.db2.gz MNUDHAOQLOYUFY-CQSZACIVSA-N 0 3 261.369 2.494 10 0 CEAEHN CCCn1cccc1CN[C@@H](CC(C)C)C(=O)N(C)C ZINC000091023528 180088770 /nfs/dbraw/zinc/08/87/70/180088770.db2.gz AYYUZPCQSWLQQF-HNNXBMFYSA-N 0 3 279.428 2.491 10 0 CEAEHN CCn1cccc1CN[C@H]1CCCc2c1cnn2C ZINC000091024650 180089498 /nfs/dbraw/zinc/08/94/98/180089498.db2.gz LHUDOAFQOIFLQV-AWEZNQCLSA-N 0 3 258.369 2.409 10 0 CEAEHN Clc1ccc2[nH]c(C[C@@H]3CSCCN3)nc2c1 ZINC000091128462 180100044 /nfs/dbraw/zinc/10/00/44/180100044.db2.gz ZRLYCJGGTBXHNZ-SECBINFHSA-N 0 3 267.785 2.464 10 0 CEAEHN Cc1ccc2c(c1)nc(C[C@H]1CSCCN1)n2C ZINC000091128501 180100443 /nfs/dbraw/zinc/10/04/43/180100443.db2.gz MDJGCAXPRULAIP-NSHDSACASA-N 0 3 261.394 2.129 10 0 CEAEHN CCCc1c(CNC2CC2)cnn1-c1ccccn1 ZINC000091335654 180136283 /nfs/dbraw/zinc/13/62/83/180136283.db2.gz TZFGYNMBMGVFHP-UHFFFAOYSA-N 0 3 256.353 2.472 10 0 CEAEHN CCNCc1c(S[C@H](C)CCO)nc2ccccn21 ZINC000091268230 180117009 /nfs/dbraw/zinc/11/70/09/180117009.db2.gz GLDAWJNBSWFOJN-LLVKDONJSA-N 0 3 279.409 2.307 10 0 CEAEHN CC(C)N1C(=O)CCC[C@@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275595 180119102 /nfs/dbraw/zinc/11/91/02/180119102.db2.gz VSSMVMGRYIVVJY-DOMZBBRYSA-N 0 3 276.384 2.007 10 0 CEAEHN CN(C)c1ccncc1NCc1cncn1C1CC1 ZINC000091274594 180119211 /nfs/dbraw/zinc/11/92/11/180119211.db2.gz XTCKIZVLWIRFIE-UHFFFAOYSA-N 0 3 257.341 2.291 10 0 CEAEHN CCCCN([C@H](CN)c1cncn1C1CC1)C1CC1 ZINC000091276378 180120207 /nfs/dbraw/zinc/12/02/07/180120207.db2.gz NWEGNWNGNXLSAO-CQSZACIVSA-N 0 3 262.401 2.482 10 0 CEAEHN CCC1CCN([C@H](CN)c2cncn2C2CC2)CC1 ZINC000091276336 180120308 /nfs/dbraw/zinc/12/03/08/180120308.db2.gz GCEJQFRTUNPCSJ-CQSZACIVSA-N 0 3 262.401 2.340 10 0 CEAEHN FC(F)(F)Cn1c(C[C@@H]2CNCCO2)nc2ccccc21 ZINC000091293363 180124094 /nfs/dbraw/zinc/12/40/94/180124094.db2.gz VUQPRLJHDIHTQV-SNVBAGLBSA-N 0 3 299.296 2.130 10 0 CEAEHN Clc1ccc2sc(C[C@H]3CNCCO3)nc2c1 ZINC000091294571 180124645 /nfs/dbraw/zinc/12/46/45/180124645.db2.gz WCJMHIJPRVXALQ-VIFPVBQESA-N 0 3 268.769 2.481 10 0 CEAEHN CCCNCc1cncc(O[C@@H](C)C(F)(F)F)n1 ZINC000091435607 180154479 /nfs/dbraw/zinc/15/44/79/180154479.db2.gz LRRYVZJIXIUUNY-QMMMGPOBSA-N 0 3 263.263 2.306 10 0 CEAEHN CCCNc1ncccc1CN(C)CC1CC(O)C1 ZINC000091464420 180163017 /nfs/dbraw/zinc/16/30/17/180163017.db2.gz RJZVJKPDYOFMNL-UHFFFAOYSA-N 0 3 263.385 2.106 10 0 CEAEHN CCCN[C@@H](Cc1ncccc1C)C(C)(C)S(C)(=O)=O ZINC000091384874 180143981 /nfs/dbraw/zinc/14/39/81/180143981.db2.gz UGQJPMPBJFFECS-AWEZNQCLSA-N 0 3 298.452 2.124 10 0 CEAEHN CN(C)[C@H]1CCCN(CC(=O)c2ccc(F)c(F)c2)C1 ZINC000091392380 180144742 /nfs/dbraw/zinc/14/47/42/180144742.db2.gz BRTPUQJPTRYRMY-LBPRGKRZSA-N 0 3 282.334 2.174 10 0 CEAEHN C[C@@H](NC1CC(O)C1)c1ccccc1OC(F)F ZINC000091416289 180149730 /nfs/dbraw/zinc/14/97/30/180149730.db2.gz VBHGJLRJGKHWQW-XNWIYYODSA-N 0 3 257.280 2.462 10 0 CEAEHN CCN(c1ccc(F)cc1)c1cncc(CNC)n1 ZINC000091420020 180150883 /nfs/dbraw/zinc/15/08/83/180150883.db2.gz XXAFKXVHMXIWKD-UHFFFAOYSA-N 0 3 260.316 2.493 10 0 CEAEHN Cc1nn(-c2cncc(CNC3CC3)n2)c(C)c1Cl ZINC000091422264 180151316 /nfs/dbraw/zinc/15/13/16/180151316.db2.gz RPNJOYQRJCNQBC-UHFFFAOYSA-N 0 3 277.759 2.185 10 0 CEAEHN CCc1c(C)nn(-c2cncc(CNC3CC3)n2)c1C ZINC000091422450 180151343 /nfs/dbraw/zinc/15/13/43/180151343.db2.gz UYXAGJKNJWVMQL-UHFFFAOYSA-N 0 3 271.368 2.094 10 0 CEAEHN Cc1ccc(F)cc1[C@H](N)C(C)(C)N1CCOCC1 ZINC000091566341 180193985 /nfs/dbraw/zinc/19/39/85/180193985.db2.gz ONFZJNIWUHPVHO-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN Cc1ccc(F)c([C@H](N)C(C)(C)N2CCOCC2)c1 ZINC000091566317 180194158 /nfs/dbraw/zinc/19/41/58/180194158.db2.gz KLAKIUUUWFIALV-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN Cc1ccc([C@H](N)C(C)(C)N2CCOCC2)s1 ZINC000091566411 180194200 /nfs/dbraw/zinc/19/42/00/180194200.db2.gz CPRAXWAIHXZMAR-LBPRGKRZSA-N 0 3 254.399 2.167 10 0 CEAEHN CC(C)([C@@H](N)c1ccccc1Cl)N1CCOCC1 ZINC000091566095 180194271 /nfs/dbraw/zinc/19/42/71/180194271.db2.gz SPLAWLBHKVCFSN-ZDUSSCGKSA-N 0 3 268.788 2.451 10 0 CEAEHN CCCN[C@@H](c1cncc(F)c1)C(C)(C)N1CCOCC1 ZINC000091567194 180194776 /nfs/dbraw/zinc/19/47/76/180194776.db2.gz VXOANBOYFYBGFA-HNNXBMFYSA-N 0 3 295.402 2.372 10 0 CEAEHN CCN(CC)[C@](C)(CC)C(=O)Cc1ncnn1C(C)C ZINC000091572563 180196671 /nfs/dbraw/zinc/19/66/71/180196671.db2.gz HBWXDNOPLHICAN-OAHLLOKOSA-N 0 3 280.416 2.481 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cccc(OC)c1)N1CCOCC1 ZINC000091611689 180206606 /nfs/dbraw/zinc/20/66/06/180206606.db2.gz JKLUNDRWURJEKC-CVEARBPZSA-N 0 3 278.396 2.196 10 0 CEAEHN CN(C)C1([C@@H](N)c2cc(Cl)cnc2N)CCCC1 ZINC000091637180 180211311 /nfs/dbraw/zinc/21/13/11/180211311.db2.gz IYAYFXXLRHGCRX-NSHDSACASA-N 0 3 268.792 2.191 10 0 CEAEHN CCN[C@@H](c1nccn1C)C1(N(C)C)CCCCC1 ZINC000091647800 180215119 /nfs/dbraw/zinc/21/51/19/180215119.db2.gz SLTUBSXJAARSAI-ZDUSSCGKSA-N 0 3 264.417 2.335 10 0 CEAEHN Cc1cnc(Cl)nc1OCCN1CCCCC1 ZINC000091657820 180218595 /nfs/dbraw/zinc/21/85/95/180218595.db2.gz DJINOHWTIGIOQF-UHFFFAOYSA-N 0 3 255.749 2.303 10 0 CEAEHN Nc1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c(Cl)c1 ZINC000091662822 180220311 /nfs/dbraw/zinc/22/03/11/180220311.db2.gz FDIZFRBPEMNCNS-NEPJUHHUSA-N 0 3 281.787 2.197 10 0 CEAEHN CCCOc1ccc([C@H](NC)[C@@H]2CN(C)CCO2)cc1 ZINC000091718034 180232760 /nfs/dbraw/zinc/23/27/60/180232760.db2.gz WEBDDILCZPWRAF-HOTGVXAUSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)c(F)c1)[C@H]1CN(C)CCO1 ZINC000091719520 180234440 /nfs/dbraw/zinc/23/44/40/180234440.db2.gz HJCCAQZMLDZTMR-CVEARBPZSA-N 0 3 296.386 2.206 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721583 180237492 /nfs/dbraw/zinc/23/74/92/180237492.db2.gz NASLAQINNQSJFB-DAXOMENPSA-N 0 3 296.361 2.479 10 0 CEAEHN COc1ccc(NC(=O)Cn2cccc2[C@@H](C)N)cc1 ZINC000091800085 180259401 /nfs/dbraw/zinc/25/94/01/180259401.db2.gz PTPQVHSREWTGON-LLVKDONJSA-N 0 3 273.336 2.155 10 0 CEAEHN CN[C@@H](C)c1cccn1CC(=O)Nc1cccc(OC)c1 ZINC000091800873 180259040 /nfs/dbraw/zinc/25/90/40/180259040.db2.gz BFQNTDBNANULMX-LBPRGKRZSA-N 0 3 287.363 2.416 10 0 CEAEHN Cc1ccccc1NC(=O)Cn1cccc1[C@H](C)N ZINC000091799978 180259294 /nfs/dbraw/zinc/25/92/94/180259294.db2.gz OGALJFWHPUEJGI-LBPRGKRZSA-N 0 3 257.337 2.455 10 0 CEAEHN CCN(C(=O)c1ccc(C)cc1[O-])C1CCC([NH3+])CC1 ZINC000091850349 180271936 /nfs/dbraw/zinc/27/19/36/180271936.db2.gz ZWLHEXYOLWSTTJ-UHFFFAOYSA-N 0 3 276.380 2.433 10 0 CEAEHN CN[C@@H]1COC[C@@H]1c1nc2ccc(F)cc2s1 ZINC000091939593 180289147 /nfs/dbraw/zinc/28/91/47/180289147.db2.gz HGKBDDCIYPPCOK-WCBMZHEXSA-N 0 3 252.314 2.137 10 0 CEAEHN CCN1CCO[C@@H](COc2ccccc2[C@@H](C)NC)C1 ZINC000092051125 180311781 /nfs/dbraw/zinc/31/17/81/180311781.db2.gz FVUIWURQVGYWNJ-ZIAGYGMSSA-N 0 3 278.396 2.067 10 0 CEAEHN CC[C@H]1CN(C(=O)N2CCCCCC2)[C@@H](CC)CN1 ZINC000091971678 180295649 /nfs/dbraw/zinc/29/56/49/180295649.db2.gz MGRBLUJOOZGFRM-KBPBESRZSA-N 0 3 267.417 2.445 10 0 CEAEHN CCCNCc1nc(C)ccc1O[C@@H](C)COC ZINC000091995108 180302488 /nfs/dbraw/zinc/30/24/88/180302488.db2.gz LSQUDXLMPZWIPU-LBPRGKRZSA-N 0 3 252.358 2.303 10 0 CEAEHN CC[C@@H]1CN(Cc2nc(C)ccc2[O-])[C@@H](CC)C[NH2+]1 ZINC000091996178 180302534 /nfs/dbraw/zinc/30/25/34/180302534.db2.gz CDGPSDWMWFFEKO-OLZOCXBDSA-N 0 3 263.385 2.058 10 0 CEAEHN O[C@H](CN1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000105805166 186072161 /nfs/dbraw/zinc/07/21/61/186072161.db2.gz UWLSZRCQCAVMFE-MRXNPFEDSA-N 0 3 298.390 2.087 10 0 CEAEHN CC(C)(C)NCc1cn(C[C@H]2COc3ccccc32)nn1 ZINC000092308055 180360150 /nfs/dbraw/zinc/36/01/50/180360150.db2.gz VPTLVVGGCCVNFZ-LBPRGKRZSA-N 0 3 286.379 2.342 10 0 CEAEHN CSc1ccccc1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000092232190 180348383 /nfs/dbraw/zinc/34/83/83/180348383.db2.gz QPQOBGGCZXAXKN-PHIMTYICSA-N 0 3 264.394 2.231 10 0 CEAEHN CCCN[C@H](CN1C(=O)C[C@H](C)C1=O)c1ccccc1 ZINC000105832458 186075854 /nfs/dbraw/zinc/07/58/54/186075854.db2.gz LSHTXSPEPQENTE-GXTWGEPZSA-N 0 3 274.364 2.122 10 0 CEAEHN CCOCCN1CCN(Cc2cccnc2)C[C@H]1CC ZINC000105838232 186077332 /nfs/dbraw/zinc/07/73/32/186077332.db2.gz MOZBKFAFLPIQKB-MRXNPFEDSA-N 0 3 277.412 2.014 10 0 CEAEHN CCOC(=O)CCN(C)C[C@H]1COc2ccccc21 ZINC000092305686 180359993 /nfs/dbraw/zinc/35/99/93/180359993.db2.gz ZXXXUKMQMJUFIZ-LBPRGKRZSA-N 0 3 263.337 2.048 10 0 CEAEHN COCCCCCN1CCCN(c2ccc(C)nn2)CC1 ZINC000105909393 186087076 /nfs/dbraw/zinc/08/70/76/186087076.db2.gz DQYYTBMYQZYXGC-UHFFFAOYSA-N 0 3 292.427 2.114 10 0 CEAEHN CCOCCN1CCN(Cc2ccccn2)C[C@H]1CC ZINC000105914825 186089134 /nfs/dbraw/zinc/08/91/34/186089134.db2.gz WAGGBSUHNWDWOK-MRXNPFEDSA-N 0 3 277.412 2.014 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000105925402 186091616 /nfs/dbraw/zinc/09/16/16/186091616.db2.gz VZCKEIGRNYIPFX-CQSZACIVSA-N 0 3 268.788 2.102 10 0 CEAEHN CCn1cnnc1C1CCN(CCOC(C)(C)C)CC1 ZINC000105928559 186091872 /nfs/dbraw/zinc/09/18/72/186091872.db2.gz HBALSPYWQTVQKO-UHFFFAOYSA-N 0 3 280.416 2.293 10 0 CEAEHN CC[C@H]1CN(Cc2ccccc2F)CCN1C[C@@H](C)O ZINC000106101654 186101252 /nfs/dbraw/zinc/10/12/52/186101252.db2.gz ITKZFDYNXQNGLH-HIFRSBDPSA-N 0 3 280.387 2.103 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(C)cc2)CCN1C[C@@H](C)O ZINC000106103896 186103021 /nfs/dbraw/zinc/10/30/21/186103021.db2.gz DFTFMLSVZMXXBJ-NVXWUHKLSA-N 0 3 276.424 2.272 10 0 CEAEHN Cc1noc(C)c1[C@H](C)N1CCC[C@H](NC2CC2)C1=O ZINC000092341993 180365573 /nfs/dbraw/zinc/36/55/73/180365573.db2.gz LTFUWBXQAPLTIS-GWCFXTLKSA-N 0 3 277.368 2.095 10 0 CEAEHN Cc1cc(C[C@@H](CN)C(=O)NC(C)C)c2ccccc2n1 ZINC000092344564 180366769 /nfs/dbraw/zinc/36/67/69/180366769.db2.gz IXTZECXNZPKCAF-AWEZNQCLSA-N 0 3 285.391 2.185 10 0 CEAEHN Cc1cc(NC(=O)[C@H](CN)c2ccccc2)ccn1 ZINC000092349313 180367194 /nfs/dbraw/zinc/36/71/94/180367194.db2.gz XJJDAJHRAPPACC-CQSZACIVSA-N 0 3 255.321 2.071 10 0 CEAEHN Cc1cc(NC(=O)[C@@H](CN)c2ccccc2)ccn1 ZINC000092349311 180367288 /nfs/dbraw/zinc/36/72/88/180367288.db2.gz XJJDAJHRAPPACC-AWEZNQCLSA-N 0 3 255.321 2.071 10 0 CEAEHN CCCNc1ccnc(CN(CCOC)[C@@H](C)COC)c1 ZINC000092418743 180380769 /nfs/dbraw/zinc/38/07/69/180380769.db2.gz IVEIBFLAJMCKAA-AWEZNQCLSA-N 0 3 295.427 2.387 10 0 CEAEHN CCNc1ccnc(CN2CCN(C)C(C)(C)C2)c1 ZINC000092419228 180382266 /nfs/dbraw/zinc/38/22/66/180382266.db2.gz QPMROMMPJPJRFO-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN CC[C@H](C)N[C@@]1(C(N)=O)CCCc2ccc(OC)cc21 ZINC000092384984 180373576 /nfs/dbraw/zinc/37/35/76/180373576.db2.gz SGECSRPUEOOLJS-ZBEGNZNMSA-N 0 3 276.380 2.100 10 0 CEAEHN CC[C@H](C)CN[C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000107863016 186195179 /nfs/dbraw/zinc/19/51/79/186195179.db2.gz CWROIKQKSPWXSQ-WCQYABFASA-N 0 3 266.385 2.082 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2sccc2C)CCN1C ZINC000107919712 186197850 /nfs/dbraw/zinc/19/78/50/186197850.db2.gz SXWHXULIQPPVRV-OLZOCXBDSA-N 0 3 267.442 2.082 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000625606843 350534975 /nfs/dbraw/zinc/53/49/75/350534975.db2.gz RMMCCIWCEBHTRH-CHWSQXEVSA-N 0 3 274.364 2.009 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000625606843 350534980 /nfs/dbraw/zinc/53/49/80/350534980.db2.gz RMMCCIWCEBHTRH-CHWSQXEVSA-N 0 3 274.364 2.009 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)c1cccc(O)c1)N(C)C ZINC000130625900 365975834 /nfs/dbraw/zinc/97/58/34/365975834.db2.gz USSXRKLKHRPWKJ-BXUZGUMPSA-N 0 3 264.369 2.300 10 0 CEAEHN CCNC(=O)CNCc1c[nH]c2cc(Cl)ccc12 ZINC000108647302 186224958 /nfs/dbraw/zinc/22/49/58/186224958.db2.gz KTLQAUUOWYFEPU-UHFFFAOYSA-N 0 3 265.744 2.047 10 0 CEAEHN Cc1cccc(C(=O)NCc2ccc(C[NH3+])cc2F)c1[O-] ZINC000109540274 186260589 /nfs/dbraw/zinc/26/05/89/186260589.db2.gz WCYOBSZOMKKPNX-UHFFFAOYSA-N 0 3 288.322 2.228 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2CCCOC2)c1C ZINC000109546075 186262064 /nfs/dbraw/zinc/26/20/64/186262064.db2.gz SBDIPYXUQOYJHJ-GWCFXTLKSA-N 0 3 251.374 2.349 10 0 CEAEHN Nc1cccc(F)c1CN(CCO)C1CCCC1 ZINC000109427579 186251647 /nfs/dbraw/zinc/25/16/47/186251647.db2.gz LXSGTJAVJLQPGS-UHFFFAOYSA-N 0 3 252.333 2.145 10 0 CEAEHN CCC[C@@H](C)CN1CCN([C@@H](CCC)C(N)=S)CC1 ZINC000109470176 186255034 /nfs/dbraw/zinc/25/50/34/186255034.db2.gz OGVBGBDRHLMJMA-KGLIPLIRSA-N 0 3 285.501 2.495 10 0 CEAEHN O=C(c1ccc([O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110325677 186291753 /nfs/dbraw/zinc/29/17/53/186291753.db2.gz MQNCUMOZSFIMPV-CQSZACIVSA-N 0 3 274.364 2.093 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CC[C@H]1CCCO1 ZINC000110629932 186308162 /nfs/dbraw/zinc/30/81/62/186308162.db2.gz DDEGSNDCOHUEGB-SECBINFHSA-N 0 3 279.315 2.335 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1O[C@@H](C)C(=O)NC1CC1 ZINC000110959579 186336371 /nfs/dbraw/zinc/33/63/71/186336371.db2.gz QEBRMDRPAMAKPK-NEPJUHHUSA-N 0 3 276.380 2.321 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1OCc1nnc(C)n1C ZINC000110959344 186336718 /nfs/dbraw/zinc/33/67/18/186336718.db2.gz GRBWNCMLVJAFKS-LLVKDONJSA-N 0 3 274.368 2.291 10 0 CEAEHN C[C@H]1CN(Cc2ccc(N)cc2Br)CCN1C ZINC000110701257 186314149 /nfs/dbraw/zinc/31/41/49/186314149.db2.gz WDPSLBKSQQSKDX-JTQLQIEISA-N 0 3 298.228 2.167 10 0 CEAEHN CC[C@H]1CN(Cc2cc(CNC(C)(C)C)no2)CCN1C ZINC000110753939 186319759 /nfs/dbraw/zinc/31/97/59/186319759.db2.gz CHOZGXYIFKJKFR-AWEZNQCLSA-N 0 3 294.443 2.089 10 0 CEAEHN CCOC(CCN1CCN([C@H](C)CC)CC1)OCC ZINC000110785928 186324525 /nfs/dbraw/zinc/32/45/25/186324525.db2.gz MDBYPYKYQOQTCO-CQSZACIVSA-N 0 3 272.433 2.192 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1sc(C)cc1C(=O)OCC ZINC000110777771 186324562 /nfs/dbraw/zinc/32/45/62/186324562.db2.gz ULBXGDVPEJOWQT-JTQLQIEISA-N 0 3 284.381 2.299 10 0 CEAEHN CCOC1CCN([C@H](CN)c2cccc(F)c2F)CC1 ZINC000111039390 186346657 /nfs/dbraw/zinc/34/66/57/186346657.db2.gz COZOGKSYNGBLAV-CQSZACIVSA-N 0 3 284.350 2.466 10 0 CEAEHN CN(Cc1ccncc1)[C@@H](CN)c1cccc(F)c1F ZINC000111039279 186347246 /nfs/dbraw/zinc/34/72/46/186347246.db2.gz FHEWQYWTECZDSW-AWEZNQCLSA-N 0 3 277.318 2.492 10 0 CEAEHN NC1(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000111087775 186351472 /nfs/dbraw/zinc/35/14/72/186351472.db2.gz NFAJEMFTMBVETO-XQQFMLRXSA-N 0 3 250.386 2.200 10 0 CEAEHN NC(=O)c1ccc(CNC[C@H]2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC000111087847 186352197 /nfs/dbraw/zinc/35/21/97/186352197.db2.gz WEPVECGONWNYJD-MISXGVKJSA-N 0 3 276.355 2.450 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1ccccc1F ZINC000111116665 186353799 /nfs/dbraw/zinc/35/37/99/186353799.db2.gz QIDLWUIBIOFHOP-CQSZACIVSA-N 0 3 254.349 2.184 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1cc(F)ccc1F ZINC000111117727 186355226 /nfs/dbraw/zinc/35/52/26/186355226.db2.gz SVYXQWRCWIVZMF-CQSZACIVSA-N 0 3 272.339 2.323 10 0 CEAEHN CCCNc1c(F)cccc1C(=O)N(C)CCN(C)C ZINC000111151590 186359830 /nfs/dbraw/zinc/35/98/30/186359830.db2.gz IXLNLFARSVQDIR-UHFFFAOYSA-N 0 3 281.375 2.281 10 0 CEAEHN CCCNCc1cccnc1N(CC)CCOCC ZINC000111238916 186375234 /nfs/dbraw/zinc/37/52/34/186375234.db2.gz AIUXZYCDIXTXJY-UHFFFAOYSA-N 0 3 265.401 2.444 10 0 CEAEHN COc1ccc(C)cc1NC(=O)c1ccc(CN)cn1 ZINC000111281280 186388607 /nfs/dbraw/zinc/38/86/07/186388607.db2.gz WVTHKEJBRNCETC-UHFFFAOYSA-N 0 3 271.320 2.110 10 0 CEAEHN Cc1ccccc1[C@@H](C)NC(=O)c1ccc(CN)cn1 ZINC000111281849 186388788 /nfs/dbraw/zinc/38/87/88/186388788.db2.gz BFVXEHMWAZOGFJ-GFCCVEGCSA-N 0 3 269.348 2.340 10 0 CEAEHN NCc1ccc(C(=O)N[C@H]2CCCc3ccccc32)nc1 ZINC000111282285 186388982 /nfs/dbraw/zinc/38/89/82/186388982.db2.gz CNKVEDDVCADDIJ-HNNXBMFYSA-N 0 3 281.359 2.348 10 0 CEAEHN COc1cccc(CC(=O)N[C@@H](CN)c2ccccc2)c1 ZINC000111364923 186405980 /nfs/dbraw/zinc/40/59/80/186405980.db2.gz ZPIIEWSYOYKRBA-INIZCTEOSA-N 0 3 284.359 2.054 10 0 CEAEHN Cc1ncc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000628181552 350992972 /nfs/dbraw/zinc/99/29/72/350992972.db2.gz HKVSETTUMHNNTM-OCCSQVGLSA-N 0 3 250.342 2.110 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@H](C)c1cnccn1 ZINC000070479117 363090163 /nfs/dbraw/zinc/09/01/63/363090163.db2.gz KBEXYRAMVRXYTL-CHWSQXEVSA-N 0 3 250.390 2.104 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC1(C2CC2)CC1 ZINC000123825550 187110231 /nfs/dbraw/zinc/11/02/31/187110231.db2.gz PTBNUAIGZJRXQO-CQSZACIVSA-N 0 3 279.428 2.302 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC000252644499 539884370 /nfs/dbraw/zinc/88/43/70/539884370.db2.gz OSOZJJNYHYOWBG-OLZOCXBDSA-N 0 3 268.426 2.428 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000252728968 539896743 /nfs/dbraw/zinc/89/67/43/539896743.db2.gz DPZGPXYKYBSKMJ-TZMCWYRMSA-N 0 3 296.386 2.206 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@@H]1CCCOC1 ZINC000252693238 539893190 /nfs/dbraw/zinc/89/31/90/539893190.db2.gz IQLRBEIFJVLVEX-XHSDSOJGSA-N 0 3 266.429 2.362 10 0 CEAEHN CCC[C@@H](C(=O)NCc1nc(C2CC2)cs1)N(C)C ZINC000157804514 188339804 /nfs/dbraw/zinc/33/98/04/188339804.db2.gz RRVIGIMPSAQDAA-LBPRGKRZSA-N 0 3 281.425 2.367 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1nccs1 ZINC000074854309 363405824 /nfs/dbraw/zinc/40/58/24/363405824.db2.gz FVTDYIOOZGCQER-GFCCVEGCSA-N 0 3 298.456 2.261 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccsn2)=C[C@@H](N)C1 ZINC000675078795 540119119 /nfs/dbraw/zinc/11/91/19/540119119.db2.gz SOWJFNQSONHHCN-SNVBAGLBSA-N 0 3 281.381 2.105 10 0 CEAEHN CN[C@H](C)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000054071769 540200603 /nfs/dbraw/zinc/20/06/03/540200603.db2.gz RLGKMKZBDILWLG-MRVPVSSYSA-N 0 3 275.179 2.260 10 0 CEAEHN Clc1ccc2c(c1)nccc2NC[C@H]1CNCCO1 ZINC000134271032 366305398 /nfs/dbraw/zinc/30/53/98/366305398.db2.gz OZWMPNSCGPGQPS-LLVKDONJSA-N 0 3 277.755 2.289 10 0 CEAEHN COC[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134881909 366367341 /nfs/dbraw/zinc/36/73/41/366367341.db2.gz SAMORRWNOVBSPG-OFQRWUPVSA-N 0 3 290.407 2.048 10 0 CEAEHN CCCCOC[C@@H](O)CN[C@H](C)c1c(C)noc1C ZINC000227894190 538769684 /nfs/dbraw/zinc/76/96/84/538769684.db2.gz PVGCPGWXNJPHEH-MFKMUULPSA-N 0 3 270.373 2.120 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC(C1CC1)C1CC1 ZINC000079088060 363575892 /nfs/dbraw/zinc/57/58/92/363575892.db2.gz CYLIYJHRGAPIOW-CQSZACIVSA-N 0 3 281.444 2.451 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000079123249 363580989 /nfs/dbraw/zinc/58/09/89/363580989.db2.gz MSYPZVATRKLYRH-CYBMUJFWSA-N 0 3 267.417 2.301 10 0 CEAEHN OC1CC(CNCc2cccc(F)c2Br)C1 ZINC000156782917 540346734 /nfs/dbraw/zinc/34/67/34/540346734.db2.gz KPRHBTGRTRMHHN-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN OCCOC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000135388478 366434049 /nfs/dbraw/zinc/43/40/49/366434049.db2.gz GYICTWCLOZNWKB-UHFFFAOYSA-N 0 3 286.375 2.208 10 0 CEAEHN O=C(OCc1ccccc1)N1CC[C@@H](NC2CC2)[C@@H](F)C1 ZINC000203765482 540471907 /nfs/dbraw/zinc/47/19/07/540471907.db2.gz MXXHIMMQMBVVGB-LSDHHAIUSA-N 0 3 292.354 2.488 10 0 CEAEHN CN1CCN([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000685952217 540646712 /nfs/dbraw/zinc/64/67/12/540646712.db2.gz AULQVTOFZLFZPV-CQSZACIVSA-N 0 3 297.443 2.023 10 0 CEAEHN Fc1ccccc1CCN1CCC[C@@H](Cn2cncn2)C1 ZINC000137538758 366544141 /nfs/dbraw/zinc/54/41/41/366544141.db2.gz MGZSZDNSTBZRLZ-CQSZACIVSA-N 0 3 288.370 2.372 10 0 CEAEHN C[C@@H](NC[C@@H](O)CN1CCCCC1)c1cccnc1Cl ZINC000151277716 366636672 /nfs/dbraw/zinc/63/66/72/366636672.db2.gz BWCJZAWATYGCLA-CHWSQXEVSA-N 0 3 297.830 2.232 10 0 CEAEHN NC[C@]1(C(F)(F)F)CSC(c2ccccc2)=N1 ZINC000095936554 283525746 /nfs/dbraw/zinc/52/57/46/283525746.db2.gz NMOCQLXZOMIOFT-SNVBAGLBSA-N 0 3 260.284 2.440 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1cccc(F)c1 ZINC000176995443 189019582 /nfs/dbraw/zinc/01/95/82/189019582.db2.gz RYILRRDXGKHSMP-HNNXBMFYSA-N 0 3 278.371 2.311 10 0 CEAEHN Cc1cccnc1NC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000177029274 189021726 /nfs/dbraw/zinc/02/17/26/189021726.db2.gz ZOWWVGYAOTVDDV-QWHCGFSZSA-N 0 3 276.384 2.240 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1cccnc1 ZINC000178316946 189107037 /nfs/dbraw/zinc/10/70/37/189107037.db2.gz RZVBNEKMYUZRJX-HNNXBMFYSA-N 0 3 256.353 2.251 10 0 CEAEHN Cc1nn(C)c(C)c1CN1CCC[C@@H]1Cn1ccnc1C ZINC000178324322 189107570 /nfs/dbraw/zinc/10/75/70/189107570.db2.gz AKIKYKJXJKIEPQ-OAHLLOKOSA-N 0 3 287.411 2.206 10 0 CEAEHN Cc1noc(C)c1CN1CCC[C@H]1Cn1ccnc1C ZINC000178334216 189108250 /nfs/dbraw/zinc/10/82/50/189108250.db2.gz PAVKNQFNQBWPCG-AWEZNQCLSA-N 0 3 274.368 2.461 10 0 CEAEHN CCC[C@H](C(=O)NCCCOc1ccccc1)N(C)C ZINC000179108905 189170164 /nfs/dbraw/zinc/17/01/64/189170164.db2.gz TXZJWVNQSHXONH-OAHLLOKOSA-N 0 3 278.396 2.302 10 0 CEAEHN O=C(/C=C/c1ccnc(Cl)c1)N1CCN2CCC[C@@H]2C1 ZINC000179225670 189178538 /nfs/dbraw/zinc/17/85/38/189178538.db2.gz JVNSFKVMCFNPRI-ITDFMYJTSA-N 0 3 291.782 2.055 10 0 CEAEHN CC(C)n1cc(CNCC2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000342174094 216246100 /nfs/dbraw/zinc/24/61/00/216246100.db2.gz UOXBPJJKSFYLFA-RYUDHWBXSA-N 0 3 266.389 2.152 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1cccn1C ZINC000180132622 189238201 /nfs/dbraw/zinc/23/82/01/189238201.db2.gz UJEWLRZZBNCHRT-HNNXBMFYSA-N 0 3 258.369 2.195 10 0 CEAEHN CC(C)n1nccc1CN[C@@H]1CCCCC[C@H]1O ZINC000342282010 216290257 /nfs/dbraw/zinc/29/02/57/216290257.db2.gz OONDGBMCJGENBF-ZIAGYGMSSA-N 0 3 251.374 2.247 10 0 CEAEHN Cc1ccc(C[C@H](C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000181200459 189290857 /nfs/dbraw/zinc/29/08/57/189290857.db2.gz YRQWCKHQVMCNFF-GOEBONIOSA-N 0 3 274.408 2.336 10 0 CEAEHN Cc1ccccc1[C@H](C)NCC(=O)NCc1cccnc1 ZINC000181536358 189299854 /nfs/dbraw/zinc/29/98/54/189299854.db2.gz UDWTZUYHCFHOHU-AWEZNQCLSA-N 0 3 283.375 2.357 10 0 CEAEHN COC[C@H](NC[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000181698777 189304528 /nfs/dbraw/zinc/30/45/28/189304528.db2.gz BLNWCOZMMUHIDO-GJZGRUSLSA-N 0 3 281.396 2.140 10 0 CEAEHN CSc1ccccc1CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000082288533 363761647 /nfs/dbraw/zinc/76/16/47/363761647.db2.gz KSKHDLZZVPFIFZ-CYBMUJFWSA-N 0 3 278.421 2.114 10 0 CEAEHN CN[C@H](C)C(=O)Nc1cc(OC)ccc1Br ZINC000083869599 363790132 /nfs/dbraw/zinc/79/01/32/363790132.db2.gz JJJZPMBNVUZCMX-SSDOTTSWSA-N 0 3 287.157 2.004 10 0 CEAEHN Cc1ncc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c(C)n1 ZINC000182536519 189327489 /nfs/dbraw/zinc/32/74/89/189327489.db2.gz XVGFZIQAPYXYRA-INIZCTEOSA-N 0 3 298.390 2.126 10 0 CEAEHN CNC(=O)[C@@H](C)CN(C)c1ccnc2c(C)cccc12 ZINC000301646368 201114128 /nfs/dbraw/zinc/11/41/28/201114128.db2.gz DDFMRAZATOOBBL-LBPRGKRZSA-N 0 3 271.364 2.362 10 0 CEAEHN C[C@H](NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1F ZINC000183232462 189351657 /nfs/dbraw/zinc/35/16/57/189351657.db2.gz RSJABOUEVWIIOV-QWHCGFSZSA-N 0 3 298.377 2.462 10 0 CEAEHN CCc1oc(C(=O)OC)cc1CN[C@H](C)[C@@H]1CCCO1 ZINC000183156154 189348651 /nfs/dbraw/zinc/34/86/51/189348651.db2.gz PAFPXNSRLSCPEH-MFKMUULPSA-N 0 3 281.352 2.286 10 0 CEAEHN C[C@@H](NC[C@@H](O)CN1CCCCC1)c1cccc(F)c1F ZINC000183232481 189351552 /nfs/dbraw/zinc/35/15/52/189351552.db2.gz RSJABOUEVWIIOV-CHWSQXEVSA-N 0 3 298.377 2.462 10 0 CEAEHN Cc1nnc(NC2CCN([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000301691987 201143201 /nfs/dbraw/zinc/14/32/01/201143201.db2.gz KYAYANIXKUYTNF-CHWSQXEVSA-N 0 3 296.440 2.026 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(C)ccn1 ZINC000184099319 189375854 /nfs/dbraw/zinc/37/58/54/189375854.db2.gz DVYXTRZDFXNVFQ-ZDUSSCGKSA-N 0 3 276.384 2.338 10 0 CEAEHN Clc1ccccc1-c1nnc(N2CCNCC2)s1 ZINC000031978349 361724519 /nfs/dbraw/zinc/72/45/19/361724519.db2.gz JWZKAVMREHCVDX-UHFFFAOYSA-N 0 3 280.784 2.268 10 0 CEAEHN C[C@@H]1CNC[C@@H](c2ccc(Br)cc2)O1 ZINC000032108965 361726919 /nfs/dbraw/zinc/72/69/19/361726919.db2.gz RNNLKNHVQCIWCM-KCJUWKMLSA-N 0 3 256.143 2.499 10 0 CEAEHN CCc1cc2c(ncnc2N2C[C@H](C)NC[C@@H]2C)s1 ZINC000086471130 363837230 /nfs/dbraw/zinc/83/72/30/363837230.db2.gz ZUONOFHNQUMULO-UWVGGRQHSA-N 0 3 276.409 2.440 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1cnn(-c2ccccc2)c1 ZINC000089160835 363941176 /nfs/dbraw/zinc/94/11/76/363941176.db2.gz GCAVFDPUMHDBEB-HOCLYGCPSA-N 0 3 271.364 2.123 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(Cc2ncccc2C)C1 ZINC000093170038 364147179 /nfs/dbraw/zinc/14/71/79/364147179.db2.gz BPOYBPWVHYXDHE-AWEZNQCLSA-N 0 3 285.395 2.381 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCc1ccncc1 ZINC000104327416 364693411 /nfs/dbraw/zinc/69/34/11/364693411.db2.gz LOUBPUPQCRNWFZ-OAHLLOKOSA-N 0 3 277.412 2.107 10 0 CEAEHN CN(CCN(C)c1ccccc1)C[C@H](O)COC(C)(C)C ZINC000107792085 364711471 /nfs/dbraw/zinc/71/14/71/364711471.db2.gz AKIIQHFZCLRYRI-INIZCTEOSA-N 0 3 294.439 2.231 10 0 CEAEHN Cc1cccc(OCC(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000113233711 364878051 /nfs/dbraw/zinc/87/80/51/364878051.db2.gz KROAIQUXAXTZMZ-LSDHHAIUSA-N 0 3 288.391 2.069 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)CCC2CCCCC2)CCO1 ZINC000116794237 365069206 /nfs/dbraw/zinc/06/92/06/365069206.db2.gz SMDWQPDLSCHNRM-OAHLLOKOSA-N 0 3 282.428 2.136 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000117786543 365124703 /nfs/dbraw/zinc/12/47/03/365124703.db2.gz VWSNQNZAQNHFIL-GFCCVEGCSA-N 0 3 276.311 2.348 10 0 CEAEHN CCc1cccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000118792520 365180119 /nfs/dbraw/zinc/18/01/19/365180119.db2.gz REZGHRSQDBIQIE-HNNXBMFYSA-N 0 3 291.395 2.043 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000118985364 365196389 /nfs/dbraw/zinc/19/63/89/365196389.db2.gz NOLHRMLVDFLBDK-OAHLLOKOSA-N 0 3 299.378 2.040 10 0 CEAEHN COCc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000119499845 365282659 /nfs/dbraw/zinc/28/26/59/365282659.db2.gz RIWLWRYXJGBPOI-INIZCTEOSA-N 0 3 286.379 2.262 10 0 CEAEHN CS[C@@H](C)CNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000120785647 365475819 /nfs/dbraw/zinc/47/58/19/365475819.db2.gz QUPNSNNJEHFGTM-JSGCOSHPSA-N 0 3 295.452 2.340 10 0 CEAEHN CCNC(=O)NC(=O)CN[C@H](C)c1ccc2ccccc2c1 ZINC000120446353 365426642 /nfs/dbraw/zinc/42/66/42/365426642.db2.gz GDMYJLFCYCLUBV-GFCCVEGCSA-N 0 3 299.374 2.336 10 0 CEAEHN COc1cc([C@H](C)N[C@@H]2C[C@@H]2C)ccc1S(C)(=O)=O ZINC000120470596 365429267 /nfs/dbraw/zinc/42/92/67/365429267.db2.gz PKCFTNIGVGPUPX-JBLDHEPKSA-N 0 3 283.393 2.158 10 0 CEAEHN CO[C@H]1CCCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000159203046 366888515 /nfs/dbraw/zinc/88/85/15/366888515.db2.gz IWQBNYLPFBJNKI-INIZCTEOSA-N 0 3 280.387 2.368 10 0 CEAEHN O=C(NCc1cccc(Cl)c1Cl)[C@H]1C[C@H](F)CN1 ZINC000582964658 366983296 /nfs/dbraw/zinc/98/32/96/366983296.db2.gz GQSYGNXRUYGNRN-WCBMZHEXSA-N 0 3 291.153 2.310 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1 ZINC000245465009 370824163 /nfs/dbraw/zinc/82/41/63/370824163.db2.gz IGASTTOZIXNEAZ-ZBFHGGJFSA-N 0 3 289.423 2.430 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCc3occc32)C1 ZINC000170830507 367428250 /nfs/dbraw/zinc/42/82/50/367428250.db2.gz GELXDBKFDBJXQX-DGCLKSJQSA-N 0 3 277.368 2.003 10 0 CEAEHN Cc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1C ZINC000171068018 367470002 /nfs/dbraw/zinc/47/00/02/367470002.db2.gz AEHUKNXAONSAJW-CYBMUJFWSA-N 0 3 261.369 2.471 10 0 CEAEHN CCc1ccsc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170855863 367432578 /nfs/dbraw/zinc/43/25/78/367432578.db2.gz GOMFYHWZKSGATD-NSHDSACASA-N 0 3 252.383 2.087 10 0 CEAEHN CCc1ccc(CCC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170860175 367432708 /nfs/dbraw/zinc/43/27/08/367432708.db2.gz IHFWOCBPLUAGHM-INIZCTEOSA-N 0 3 274.408 2.344 10 0 CEAEHN CCn1cc(CC(=O)N2CC[C@@H](N(C)C)C2)c2ccccc21 ZINC000170863939 367433925 /nfs/dbraw/zinc/43/39/25/367433925.db2.gz UOHSKYXBDVDEAB-OAHLLOKOSA-N 0 3 299.418 2.366 10 0 CEAEHN C[C@@H](CC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000170862203 367434582 /nfs/dbraw/zinc/43/45/82/367434582.db2.gz ZBRLLPMAWRJHIQ-ZFWWWQNUSA-N 0 3 260.381 2.343 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCc1cscn1 ZINC000171204295 367496498 /nfs/dbraw/zinc/49/64/98/367496498.db2.gz UROQGTNBNVNWBX-CYBMUJFWSA-N 0 3 283.441 2.168 10 0 CEAEHN CN(C)C[C@H](NC(=O)NCCC1CC1)c1ccccc1 ZINC000173561663 367922769 /nfs/dbraw/zinc/92/27/69/367922769.db2.gz JPSZRMUZHRPPMM-HNNXBMFYSA-N 0 3 275.396 2.389 10 0 CEAEHN C[C@@H](CCOc1ccccc1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000174288844 368006387 /nfs/dbraw/zinc/00/63/87/368006387.db2.gz PDNALGPPNMPMEL-GJZGRUSLSA-N 0 3 290.407 2.254 10 0 CEAEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C(C)C ZINC000176342776 368227780 /nfs/dbraw/zinc/22/77/80/368227780.db2.gz ZDTVYIZVQMGSDS-MJBXVCDLSA-N 0 3 267.417 2.299 10 0 CEAEHN Cc1nc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c(C)s1 ZINC000178919983 368315055 /nfs/dbraw/zinc/31/50/55/368315055.db2.gz LRHVKXBPIFGAEO-CABZTGNLSA-N 0 3 281.425 2.218 10 0 CEAEHN C[C@@H](c1ccccn1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000177189587 368261421 /nfs/dbraw/zinc/26/14/21/368261421.db2.gz IHSZQBJEOIDYLR-STQMWFEESA-N 0 3 256.353 2.366 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC[C@H](C)N2CCOCC2)s1 ZINC000177730757 368280969 /nfs/dbraw/zinc/28/09/69/368280969.db2.gz DOWWGTZAKYAGQO-WDEREUQCSA-N 0 3 283.441 2.131 10 0 CEAEHN Fc1ccc2c(c1)[C@@H](N1CC[C@H](N3CCOCC3)C1)CC2 ZINC000177821375 368281664 /nfs/dbraw/zinc/28/16/64/368281664.db2.gz KIMDIGMLMCBZQQ-RDJZCZTQSA-N 0 3 290.382 2.220 10 0 CEAEHN CCOC(CN1CCC(c2cnn(CC)c2)CC1)OCC ZINC000184960190 368731117 /nfs/dbraw/zinc/73/11/17/368731117.db2.gz AHJSSLPRXYKPNA-UHFFFAOYSA-N 0 3 295.427 2.482 10 0 CEAEHN Cc1cccc(C)c1OC[C@@H](O)CN1CCS[C@@H](C)C1 ZINC000246174668 370920823 /nfs/dbraw/zinc/92/08/23/370920823.db2.gz TWXWHXRWRUQUOD-GJZGRUSLSA-N 0 3 295.448 2.480 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H](C)C2CCCC2)C1 ZINC000246294150 370942698 /nfs/dbraw/zinc/94/26/98/370942698.db2.gz DKSGKUZFHIURLZ-OCCSQVGLSA-N 0 3 267.417 2.349 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2cccnc2)C12CCOCC2 ZINC000186198026 368936160 /nfs/dbraw/zinc/93/61/60/368936160.db2.gz JGUDEFFBXOQVQZ-CABCVRRESA-N 0 3 276.380 2.145 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CC(C)(C)OC(C)(C)C2)C1 ZINC000188182729 369312104 /nfs/dbraw/zinc/31/21/04/369312104.db2.gz ZVWNNSOMCOFNMI-ZDUSSCGKSA-N 0 3 297.443 2.070 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCS[C@@H](C)[C@@H]2C)C1 ZINC000246410211 370958271 /nfs/dbraw/zinc/95/82/71/370958271.db2.gz QHXMEWHOIADAFN-AVGNSLFASA-N 0 3 285.457 2.006 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)cc1[O-] ZINC000246547348 370975325 /nfs/dbraw/zinc/97/53/25/370975325.db2.gz KJHOYPWTFAIJNA-KBPBESRZSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)cc1[O-] ZINC000246547348 370975329 /nfs/dbraw/zinc/97/53/29/370975329.db2.gz KJHOYPWTFAIJNA-KBPBESRZSA-N 0 3 288.391 2.399 10 0 CEAEHN C[C@H](Cc1ccccc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000246548059 370975567 /nfs/dbraw/zinc/97/55/67/370975567.db2.gz CQPHDNGKQHPXDH-ZBFHGGJFSA-N 0 3 272.392 2.172 10 0 CEAEHN Cc1csc2c1ncnc2N1CCN2CCC[C@@H]2C1 ZINC000192489404 369819132 /nfs/dbraw/zinc/81/91/32/369819132.db2.gz KKLCPTVYDJFBCH-LLVKDONJSA-N 0 3 274.393 2.284 10 0 CEAEHN COc1ccc(CN(C)[C@@H]2CCC[C@@H]2O)cc1F ZINC000352666753 369824246 /nfs/dbraw/zinc/82/42/46/369824246.db2.gz IGXQNEYVEMERNE-OLZOCXBDSA-N 0 3 253.317 2.180 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)CCc1cccs1 ZINC000193251456 369911793 /nfs/dbraw/zinc/91/17/93/369911793.db2.gz OYASSDBTJUCNFE-ZDUSSCGKSA-N 0 3 271.426 2.400 10 0 CEAEHN CCCCOC[C@H](O)CN(C)CCc1cccs1 ZINC000193251441 369911925 /nfs/dbraw/zinc/91/19/25/369911925.db2.gz OYASSDBTJUCNFE-CYBMUJFWSA-N 0 3 271.426 2.400 10 0 CEAEHN CCN[C@@H](C)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000637925129 370174214 /nfs/dbraw/zinc/17/42/14/370174214.db2.gz RDZQDRDLGSWCDD-FZMZJTMJSA-N 0 3 296.798 2.238 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000638032802 370258449 /nfs/dbraw/zinc/25/84/49/370258449.db2.gz AXABAPRHBFTCGS-WDEREUQCSA-N 0 3 252.333 2.309 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CNC(=O)[C@@]1(C)CCCCN1 ZINC000227694669 370380083 /nfs/dbraw/zinc/38/00/83/370380083.db2.gz JORZQWCGKWWBOZ-VNHYZAJKSA-N 0 3 252.402 2.461 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H](O)CC1CCCC1 ZINC000232145147 370500734 /nfs/dbraw/zinc/50/07/34/370500734.db2.gz DWODEYWWRNKPND-OIISXLGYSA-N 0 3 280.456 2.486 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC(C1CCC1)C1CCC1 ZINC000638454280 370543177 /nfs/dbraw/zinc/54/31/77/370543177.db2.gz GAZGQWUEFDSCJR-CQSZACIVSA-N 0 3 252.402 2.446 10 0 CEAEHN CCCC[C@H](C(=O)OC)N1CCC[C@H]1Cn1ccnc1C ZINC000246843239 371020262 /nfs/dbraw/zinc/02/02/62/371020262.db2.gz BTJREJMSSCJSHZ-LSDHHAIUSA-N 0 3 293.411 2.388 10 0 CEAEHN CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000246975035 371040338 /nfs/dbraw/zinc/04/03/38/371040338.db2.gz DUDKUADOVMDLKW-UKRRQHHQSA-N 0 3 288.391 2.394 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000247096940 371064648 /nfs/dbraw/zinc/06/46/48/371064648.db2.gz IHQBWBWKNJYDDI-WFASDCNBSA-N 0 3 283.375 2.477 10 0 CEAEHN Cc1nc(CC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c(C)s1 ZINC000247118845 371067457 /nfs/dbraw/zinc/06/74/57/371067457.db2.gz UJJOLZHSVIKEBP-YGRLFVJLSA-N 0 3 295.452 2.147 10 0 CEAEHN C[C@H](CN1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000247208896 371076850 /nfs/dbraw/zinc/07/68/50/371076850.db2.gz UKYCYRTUDCTWPL-ZBFHGGJFSA-N 0 3 262.397 2.053 10 0 CEAEHN CCCCO[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247304326 371090448 /nfs/dbraw/zinc/09/04/48/371090448.db2.gz LNVFTXXNDBAEGS-MGPQQGTHSA-N 0 3 270.417 2.037 10 0 CEAEHN CO[C@H](C(=O)N[C@H]1CN(C(C)C)C[C@H]1C)c1ccccc1 ZINC000247341511 371096684 /nfs/dbraw/zinc/09/66/84/371096684.db2.gz NNRIBOSPVAVXJM-KBMXLJTQSA-N 0 3 290.407 2.219 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCCS1 ZINC000247410221 371103779 /nfs/dbraw/zinc/10/37/79/371103779.db2.gz RRSYKMTYLGELAU-CHWSQXEVSA-N 0 3 285.457 2.008 10 0 CEAEHN COC[C@@H](C)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000247475241 371113242 /nfs/dbraw/zinc/11/32/42/371113242.db2.gz JPHKUBITUQOYES-ZWNOBZJWSA-N 0 3 251.374 2.209 10 0 CEAEHN O[C@H](CN1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1F ZINC000247990458 371154016 /nfs/dbraw/zinc/15/40/16/371154016.db2.gz JIOAGWSHSXCELT-IAOVAPTHSA-N 0 3 293.382 2.486 10 0 CEAEHN CN(C)C(=O)[C@H]1CCCN1CCCOc1ccccc1 ZINC000248039347 371157098 /nfs/dbraw/zinc/15/70/98/371157098.db2.gz VJBNRLBLOHEXLL-OAHLLOKOSA-N 0 3 276.380 2.008 10 0 CEAEHN Cc1ccc([C@H](O)CN2CCN3CCCC[C@H]3C2)cc1 ZINC000248342833 371177841 /nfs/dbraw/zinc/17/78/41/371177841.db2.gz JUUMIMSZGZPTCW-DLBZAZTESA-N 0 3 274.408 2.199 10 0 CEAEHN C[C@@H]1CCN(Cc2ccc3ccccc3n2)[C@H]1CO ZINC000248874884 371259329 /nfs/dbraw/zinc/25/93/29/371259329.db2.gz CGZJASHARVAFDT-WBMJQRKESA-N 0 3 256.349 2.438 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@H](C)c2nccn2C)C12CCOCC2 ZINC000248639555 371228896 /nfs/dbraw/zinc/22/88/96/371228896.db2.gz NAWOZIGOVGRRJE-MGPQQGTHSA-N 0 3 293.411 2.045 10 0 CEAEHN OC[C@@H]1CN(C[C@H]2CCC=CO2)C[C@H]1c1ccsc1 ZINC000249060345 371289185 /nfs/dbraw/zinc/28/91/85/371289185.db2.gz ZUZPBWLGHMNCSJ-ZNMIVQPWSA-N 0 3 279.405 2.449 10 0 CEAEHN C[C@@H]1CC[C@H](CN2C[C@@H](c3ccsc3)[C@H](CO)C2)O1 ZINC000249139029 371300544 /nfs/dbraw/zinc/30/05/44/371300544.db2.gz VWXJCHWFUFFGRD-BEAPCOKYSA-N 0 3 281.421 2.323 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCc1cscn1 ZINC000251575660 371407529 /nfs/dbraw/zinc/40/75/29/371407529.db2.gz CELKJNYRYSLZAN-OCCSQVGLSA-N 0 3 265.426 2.244 10 0 CEAEHN CCc1nsc(NC[C@H]2NCCc3ccccc32)n1 ZINC000261610213 371677174 /nfs/dbraw/zinc/67/71/74/371677174.db2.gz SILIAOYBNGHATP-GFCCVEGCSA-N 0 3 274.393 2.399 10 0 CEAEHN Cc1sc2nc(C)nc(N3CCNC[C@H]3C)c2c1C ZINC000261578361 371659707 /nfs/dbraw/zinc/65/97/07/371659707.db2.gz DFGOCIBCYHALIF-MRVPVSSYSA-N 0 3 276.409 2.415 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000261722158 371710103 /nfs/dbraw/zinc/71/01/03/371710103.db2.gz REJYISNUDNCVLZ-HNNXBMFYSA-N 0 3 275.396 2.150 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CCNC(=O)[C@@H](N)C1CCOCC1 ZINC000261788642 371732742 /nfs/dbraw/zinc/73/27/42/371732742.db2.gz NKMCVRRJCGCKAW-IPYPFGDCSA-N 0 3 282.428 2.073 10 0 CEAEHN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)[C@@H](C)N)n2)c1 ZINC000261670587 371697485 /nfs/dbraw/zinc/69/74/85/371697485.db2.gz AMOVGDWQRYCEDK-DOMZBBRYSA-N 0 3 298.390 2.396 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000263523268 371940056 /nfs/dbraw/zinc/94/00/56/371940056.db2.gz SAXHASYOILMSFB-APSKQVOWSA-N 0 3 282.428 2.338 10 0 CEAEHN CCCCOC(=O)[C@H](C)N1CCC[C@H]1Cn1ccnc1C ZINC000247168124 220219184 /nfs/dbraw/zinc/21/91/84/220219184.db2.gz VEBRNBJVTUDDGP-ZFWWWQNUSA-N 0 3 293.411 2.388 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@H]1CC[C@@H](SCC)C1 ZINC000246654962 189931628 /nfs/dbraw/zinc/93/16/28/189931628.db2.gz LLKGZIUXUYOULV-TUAOUCFPSA-N 0 3 258.431 2.246 10 0 CEAEHN CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000645295921 373974839 /nfs/dbraw/zinc/97/48/39/373974839.db2.gz KSNFDKDGNATXOP-IVZWLZJFSA-N 0 3 278.318 2.222 10 0 CEAEHN C[C@@H]1[C@@H](O)CCCN1C[C@@H]1CCC2(CCCC2)O1 ZINC000384851534 375219059 /nfs/dbraw/zinc/21/90/59/375219059.db2.gz BQKCGLAJTWIJGQ-RDBSUJKOSA-N 0 3 253.386 2.323 10 0 CEAEHN CC(C)Oc1ccccc1CN[C@H]1CCC(=O)N[C@@H]1C ZINC000282406005 375476366 /nfs/dbraw/zinc/47/63/66/375476366.db2.gz PYKQXZPSVMFUGY-OCCSQVGLSA-N 0 3 276.380 2.231 10 0 CEAEHN CC(C)Oc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282525752 375506137 /nfs/dbraw/zinc/50/61/37/375506137.db2.gz YOBJBTAONHPVSH-WFASDCNBSA-N 0 3 276.380 2.231 10 0 CEAEHN C[C@@H](C(=O)N1CCC[C@H]1CCCO)N1[C@H](C)CC[C@@H]1C ZINC000413648120 375785034 /nfs/dbraw/zinc/78/50/34/375785034.db2.gz LRJPJHHJQVYWFJ-XGUBFFRZSA-N 0 3 282.428 2.011 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](F)[C@@H](N)C2)C1 ZINC000261508340 190040389 /nfs/dbraw/zinc/04/03/89/190040389.db2.gz RMLUGCZJYTXPOU-GBIKHYSHSA-N 0 3 258.337 2.073 10 0 CEAEHN CCC[C@](C)(N)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000262162586 190049472 /nfs/dbraw/zinc/04/94/72/190049472.db2.gz VICFJXAXUKCMBU-IVSAIRAKSA-N 0 3 272.392 2.206 10 0 CEAEHN COc1ccc(F)cc1CNC[C@H](O)C(C)(C)C ZINC000291297663 377164895 /nfs/dbraw/zinc/16/48/95/377164895.db2.gz WGZHWFCZJPEPEV-ZDUSSCGKSA-N 0 3 255.333 2.331 10 0 CEAEHN Cc1cc(F)c(C(=O)N2CCN3CCC[C@H]3C2)cc1F ZINC000177331827 542245009 /nfs/dbraw/zinc/24/50/09/542245009.db2.gz MONBBRCYQNEIBW-NSHDSACASA-N 0 3 280.318 2.193 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1ncc(C)o1 ZINC000300404217 379163039 /nfs/dbraw/zinc/16/30/39/379163039.db2.gz HSADSDHVRINEGB-KBPBESRZSA-N 0 3 263.385 2.432 10 0 CEAEHN C[C@H](NCC(=O)NCCC1CCCCC1)[C@@H]1CCCO1 ZINC000183125652 542287350 /nfs/dbraw/zinc/28/73/50/542287350.db2.gz LGTLFNKFBLLOEF-ZFWWWQNUSA-N 0 3 282.428 2.230 10 0 CEAEHN CNCc1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000088919214 184614645 /nfs/dbraw/zinc/61/46/45/184614645.db2.gz ZUTBZSGHQSKHKB-BETUJISGSA-N 0 3 296.436 2.073 10 0 CEAEHN CCOC(=O)CCN[C@H](C)c1ccc(F)c(OC)c1 ZINC000092825378 184629585 /nfs/dbraw/zinc/62/95/85/184629585.db2.gz IEYXLJMTEYUPCS-SNVBAGLBSA-N 0 3 269.316 2.438 10 0 CEAEHN CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000335399240 208370407 /nfs/dbraw/zinc/37/04/07/208370407.db2.gz IGVMXTKIVCNVTI-GJZGRUSLSA-N 0 3 296.455 2.259 10 0 CEAEHN CCN[C@H](CC)CS(=O)(=O)c1ccccc1C ZINC000081978116 177910050 /nfs/dbraw/zinc/91/00/50/177910050.db2.gz SSRSBPYLCRLVGM-GFCCVEGCSA-N 0 3 255.383 2.157 10 0 CEAEHN CN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1F ZINC000081922897 177895759 /nfs/dbraw/zinc/89/57/59/177895759.db2.gz IOQPNQVKIVEKIQ-AAEUAGOBSA-N 0 3 271.357 2.130 10 0 CEAEHN Cc1cc(C)c(OCC[C@H]2CCC[C@]2(N)C(N)=O)c(C)c1 ZINC000093617415 184696977 /nfs/dbraw/zinc/69/69/77/184696977.db2.gz DKFACISJTBVJKW-RHSMWYFYSA-N 0 3 290.407 2.364 10 0 CEAEHN CN[C@H](c1cc(C)ccc1OC)[C@H]1CN(C(C)C)CCO1 ZINC000093927179 184744006 /nfs/dbraw/zinc/74/40/06/184744006.db2.gz IYRTXCJZARABGB-IAGOWNOFSA-N 0 3 292.423 2.373 10 0 CEAEHN CCN[C@H](c1ccccc1OC)[C@H]1CN(C(C)C)CCO1 ZINC000093927396 184744485 /nfs/dbraw/zinc/74/44/85/184744485.db2.gz UNZVRSQRTYPXPG-IAGOWNOFSA-N 0 3 292.423 2.455 10 0 CEAEHN Cc1nc(C)c([C@@H](C)Nc2ccc(N)c(N)n2)s1 ZINC000094260184 184770863 /nfs/dbraw/zinc/77/08/63/184770863.db2.gz BLHSWHBBQATUAB-SSDOTTSWSA-N 0 3 263.370 2.492 10 0 CEAEHN COc1ccccc1S(=O)(=O)[C@H]1CCCC(C)(C)[C@@H]1N ZINC000094281937 184774895 /nfs/dbraw/zinc/77/48/95/184774895.db2.gz JRADZYQIMZBABI-UONOGXRCSA-N 0 3 297.420 2.375 10 0 CEAEHN COC(=O)C[C@](C)(N)c1cccc(C(F)(F)F)c1 ZINC000094290044 184776671 /nfs/dbraw/zinc/77/66/71/184776671.db2.gz BYIIGMJECNREFS-NSHDSACASA-N 0 3 261.243 2.442 10 0 CEAEHN COc1ccc(Cc2ncc(CNC(C)(C)C)cn2)cn1 ZINC000094633650 184830219 /nfs/dbraw/zinc/83/02/19/184830219.db2.gz JUGBJTLCQWHHLX-UHFFFAOYSA-N 0 3 286.379 2.359 10 0 CEAEHN CCCNCCS(=O)(=O)N(CC(C)C)C1CCCC1 ZINC000094852731 184880896 /nfs/dbraw/zinc/88/08/96/184880896.db2.gz DJBWYHRMUOMKFA-UHFFFAOYSA-N 0 3 290.473 2.216 10 0 CEAEHN NC(=S)CC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000088256862 135053616 /nfs/dbraw/zinc/05/36/16/135053616.db2.gz DNTINGUQJNWPQG-UHFFFAOYSA-N 0 3 289.448 2.265 10 0 CEAEHN Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)c(CN)c1C ZINC000088416167 135054241 /nfs/dbraw/zinc/05/42/41/135054241.db2.gz ZYVVHXBFXWRHBL-JTQLQIEISA-N 0 3 288.317 2.331 10 0 CEAEHN CCNC[C@@H](C)S(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000088928884 135057644 /nfs/dbraw/zinc/05/76/44/135057644.db2.gz ZQWZAVHIRHOVOM-CYBMUJFWSA-N 0 3 296.436 2.075 10 0 CEAEHN CCNC[C@H](C)S(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000088928886 135057730 /nfs/dbraw/zinc/05/77/30/135057730.db2.gz ZQWZAVHIRHOVOM-ZDUSSCGKSA-N 0 3 296.436 2.075 10 0 CEAEHN CCCO[C@H]1CCCN(c2cncc(CNC(C)C)n2)C1 ZINC000091421006 135069511 /nfs/dbraw/zinc/06/95/11/135069511.db2.gz RQFXBXHIUCQJDH-HNNXBMFYSA-N 0 3 292.427 2.370 10 0 CEAEHN C[C@@H]1CCCN(C(=O)N2C[C@@H](N)Cc3ccccc32)C1 ZINC000091991329 135074609 /nfs/dbraw/zinc/07/46/09/135074609.db2.gz UUGNNDDHXFARII-OCCSQVGLSA-N 0 3 273.380 2.228 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc([C@@H](C)O)c(O)c2)CC1 ZINC000093672548 135082007 /nfs/dbraw/zinc/08/20/07/135082007.db2.gz GKSYMZHEADGRLG-QWHCGFSZSA-N 0 3 278.396 2.366 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](n2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000253552287 394578412 /nfs/dbraw/zinc/57/84/12/394578412.db2.gz UYPYAELOYPVIQI-BXUZGUMPSA-N 0 3 287.363 2.003 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1occc1C ZINC000246900295 394523015 /nfs/dbraw/zinc/52/30/15/394523015.db2.gz HNBXGJWOZKREAQ-STQMWFEESA-N 0 3 262.353 2.287 10 0 CEAEHN CC(C)OCCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000310558258 394534972 /nfs/dbraw/zinc/53/49/72/394534972.db2.gz AJAVIALXPAULHR-CABCVRRESA-N 0 3 254.418 2.360 10 0 CEAEHN CC(C)OCCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000310558259 394535322 /nfs/dbraw/zinc/53/53/22/394535322.db2.gz AJAVIALXPAULHR-GJZGRUSLSA-N 0 3 254.418 2.360 10 0 CEAEHN CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000248471036 394541729 /nfs/dbraw/zinc/54/17/29/394541729.db2.gz IMDNMZGWCIENGW-KQTLUZQSSA-N 0 3 264.413 2.364 10 0 CEAEHN Cc1cccc([C@H](C)CNC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000121073142 394791837 /nfs/dbraw/zinc/79/18/37/394791837.db2.gz LKZIYKCYCSSFDA-ZBFHGGJFSA-N 0 3 289.423 2.444 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccccc1O)c1ccccc1 ZINC000123490817 394828063 /nfs/dbraw/zinc/82/80/63/394828063.db2.gz DMNCRQZRCYYEEH-HNNXBMFYSA-N 0 3 284.359 2.425 10 0 CEAEHN CC[C@@H](SC)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000131490660 394912322 /nfs/dbraw/zinc/91/23/22/394912322.db2.gz HVCCXVWGRZIBQM-NWDGAFQWSA-N 0 3 258.431 2.071 10 0 CEAEHN C[C@@H](N)c1ccc(Br)cc1OCCCO ZINC000132050705 394924191 /nfs/dbraw/zinc/92/41/91/394924191.db2.gz BSLSIYITSJPYPE-MRVPVSSYSA-N 0 3 274.158 2.230 10 0 CEAEHN CO[C@@H]1C[C@@H](CO)N(Cc2ccc(C(C)C)cc2)C1 ZINC000284604965 394947839 /nfs/dbraw/zinc/94/78/39/394947839.db2.gz QFKADILBDKBJQZ-JKSUJKDBSA-N 0 3 263.381 2.392 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCc3sccc32)C1 ZINC000136580177 394970391 /nfs/dbraw/zinc/97/03/91/394970391.db2.gz OPEGECMQGSFBEZ-DGCLKSJQSA-N 0 3 293.436 2.471 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)O1 ZINC000151001722 394975152 /nfs/dbraw/zinc/97/51/52/394975152.db2.gz VJRTVAZJZGAVCH-ZBFHGGJFSA-N 0 3 294.439 2.278 10 0 CEAEHN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](N(C)C)C3)on2)cc1 ZINC000170866506 395092963 /nfs/dbraw/zinc/09/29/63/395092963.db2.gz NNWNPLISJPHWKC-CQSZACIVSA-N 0 3 299.374 2.426 10 0 CEAEHN CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](N(C)C)C1 ZINC000175550967 395133276 /nfs/dbraw/zinc/13/32/76/395133276.db2.gz DMYDWDORVTZIMY-GXTWGEPZSA-N 0 3 294.370 2.146 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000175008904 395130015 /nfs/dbraw/zinc/13/00/15/395130015.db2.gz NAHFUYABFRNXOD-NWDGAFQWSA-N 0 3 293.798 2.434 10 0 CEAEHN Cc1csc2c1ncnc2N1CC[C@@H](N(C)C)C1 ZINC000192562715 395387528 /nfs/dbraw/zinc/38/75/28/395387528.db2.gz HVGDSFXMHSQWSU-SNVBAGLBSA-N 0 3 262.382 2.140 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCc2ccc(OC)cc2)C1 ZINC000194625712 395444077 /nfs/dbraw/zinc/44/40/77/395444077.db2.gz ZINMDUJHEXAUCH-OAHLLOKOSA-N 0 3 290.407 2.228 10 0 CEAEHN CC1CC(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000573834182 395620625 /nfs/dbraw/zinc/62/06/25/395620625.db2.gz PAJPEYHURWWLKH-HGMXIMQMSA-N 0 3 258.365 2.036 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc1N ZINC000037001275 400113357 /nfs/dbraw/zinc/11/33/57/400113357.db2.gz MWTNVRRRMLFVPH-AWEZNQCLSA-N 0 3 277.412 2.283 10 0 CEAEHN Cc1csc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000150858219 400281791 /nfs/dbraw/zinc/28/17/91/400281791.db2.gz FGSCPKGPLPXWQQ-GXSJLCMTSA-N 0 3 282.413 2.302 10 0 CEAEHN CN(C)[C@@H](CN)c1cc(F)cc(Br)c1 ZINC000306205306 400331888 /nfs/dbraw/zinc/33/18/88/400331888.db2.gz ONQZQGHEOWGRRZ-JTQLQIEISA-N 0 3 261.138 2.150 10 0 CEAEHN C[C@@H](COCc1ccccc1)NC[C@@H](O)C(F)(F)F ZINC000390693236 400540850 /nfs/dbraw/zinc/54/08/50/400540850.db2.gz BCQMRNGZBWMJNQ-CMPLNLGQSA-N 0 3 277.286 2.105 10 0 CEAEHN C[C@@H](COCc1ccccc1)NC[C@](C)(O)C(F)(F)F ZINC000390634310 400541132 /nfs/dbraw/zinc/54/11/32/400541132.db2.gz CHZYGHDLQRZTSO-AAEUAGOBSA-N 0 3 291.313 2.495 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1cc(F)ccc1F ZINC000398972705 400562896 /nfs/dbraw/zinc/56/28/96/400562896.db2.gz XGVIHSRPUOZJKQ-SDBXPKJASA-N 0 3 268.307 2.269 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1ccc(F)cc1F)C(F)(F)F ZINC000062784610 522651388 /nfs/dbraw/zinc/65/13/88/522651388.db2.gz JUYQBSSLNYTEQL-ZJUUUORDSA-N 0 3 269.213 2.452 10 0 CEAEHN CCC(=O)CCN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000190214875 153122758 /nfs/dbraw/zinc/12/27/58/153122758.db2.gz LDFQDCSAJDWQQC-LBPRGKRZSA-N 0 3 265.357 2.002 10 0 CEAEHN COc1ccc([C@@H](NC[C@H]2CN(C)CCO2)C(C)C)cc1 ZINC000180163465 286359516 /nfs/dbraw/zinc/35/95/16/286359516.db2.gz XPKJYQHUCZOMEY-IRXDYDNUSA-N 0 3 292.423 2.313 10 0 CEAEHN Cc1n[nH]c(C)c1CCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000194917264 153269577 /nfs/dbraw/zinc/26/95/77/153269577.db2.gz NREDHSNLNRSRQR-CQSZACIVSA-N 0 3 294.443 2.052 10 0 CEAEHN O=C(CCCOc1ccccc1)N1CCN2CCC[C@H]2C1 ZINC000195313425 153282774 /nfs/dbraw/zinc/28/27/74/153282774.db2.gz HFFMYLNLGVIIRV-HNNXBMFYSA-N 0 3 288.391 2.152 10 0 CEAEHN CC(C)c1noc(CN2CCC(c3ccn[nH]3)CC2)n1 ZINC000195507723 153290528 /nfs/dbraw/zinc/29/05/28/153290528.db2.gz FPERTXCDPVJAIM-UHFFFAOYSA-N 0 3 275.356 2.296 10 0 CEAEHN CC1CCC(Cc2nc([C@@H]3CNCCN3C)no2)CC1 ZINC000263203123 154034127 /nfs/dbraw/zinc/03/41/27/154034127.db2.gz JHTOBOAIBJBUGJ-BPCQOVAHSA-N 0 3 278.400 2.015 10 0 CEAEHN CN1CCNC[C@H]1c1noc([C@H]2CCCc3ccccc32)n1 ZINC000263278635 154049632 /nfs/dbraw/zinc/04/96/32/154049632.db2.gz TWKXQGJHSSRXKK-GJZGRUSLSA-N 0 3 298.390 2.114 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000263486600 154100084 /nfs/dbraw/zinc/10/00/84/154100084.db2.gz HNCLZGRQKKRPOF-IWMBGFJWSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC[C@@H](C)C2)C1 ZINC000263486600 154100088 /nfs/dbraw/zinc/10/00/88/154100088.db2.gz HNCLZGRQKKRPOF-IWMBGFJWSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC[C@@H](C)C2)C1 ZINC000263486600 154100094 /nfs/dbraw/zinc/10/00/94/154100094.db2.gz HNCLZGRQKKRPOF-IWMBGFJWSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[C@@H]1CCC[C@@H]([NH2+]C2CC(N(CC)CC(=O)[O-])C2)C1 ZINC000263494134 154102905 /nfs/dbraw/zinc/10/29/05/154102905.db2.gz JHMKPXWJBFCVBU-LMRVLLHPSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@@H]1CCC[C@@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)C1 ZINC000263494134 154102910 /nfs/dbraw/zinc/10/29/10/154102910.db2.gz JHMKPXWJBFCVBU-LMRVLLHPSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@@H]1CCC[C@@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)C1 ZINC000263494134 154102916 /nfs/dbraw/zinc/10/29/16/154102916.db2.gz JHMKPXWJBFCVBU-LMRVLLHPSA-N 0 3 282.428 2.482 10 0 CEAEHN COCCCN(C)CCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246617019 292338516 /nfs/dbraw/zinc/33/85/16/292338516.db2.gz GXPDOOUTVOQHAQ-HOTGVXAUSA-N 0 3 296.455 2.287 10 0 CEAEHN COCCC[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000182274748 292377549 /nfs/dbraw/zinc/37/75/49/292377549.db2.gz YOZUBPIUXMRZDD-GDBMZVCRSA-N 0 3 292.423 2.468 10 0 CEAEHN CCS[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000175008674 286709925 /nfs/dbraw/zinc/70/99/25/286709925.db2.gz PRYWGMFZOATIEQ-BFHYXJOUSA-N 0 3 299.484 2.396 10 0 CEAEHN [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])C1 ZINC000166458618 162349732 /nfs/dbraw/zinc/34/97/32/162349732.db2.gz VJWOAMARTWSHKQ-IONNQARKSA-N 0 3 288.269 2.477 10 0 CEAEHN CC(C)N1C[C@H](NS(=O)(=O)CCC(C)(C)C)[C@@H](C)C1 ZINC000173887417 165087301 /nfs/dbraw/zinc/08/73/01/165087301.db2.gz WYCVGIWVBJYVNX-STQMWFEESA-N 0 3 290.473 2.071 10 0 CEAEHN CCC(CC)CS(=O)(=O)N(C)C[C@@H]1CCCN1CC ZINC000175398086 165133298 /nfs/dbraw/zinc/13/32/98/165133298.db2.gz OGLLYSZANSPYJT-AWEZNQCLSA-N 0 3 290.473 2.169 10 0 CEAEHN COCCOCCN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000175615823 165141214 /nfs/dbraw/zinc/14/12/14/165141214.db2.gz WPRVYXGKAWTIID-CYBMUJFWSA-N 0 3 284.425 2.294 10 0 CEAEHN CCCCc1noc(CN2CCN3CCCC[C@@H]3C2)n1 ZINC000177761952 165206733 /nfs/dbraw/zinc/20/67/33/165206733.db2.gz UUHIVYGPCICDTM-CYBMUJFWSA-N 0 3 278.400 2.082 10 0 CEAEHN COc1cc([C@H](C)N[C@@H]2CCc3ncnn3C2)ccc1F ZINC000180585342 165312974 /nfs/dbraw/zinc/31/29/74/165312974.db2.gz UULARGGWKLBEBI-CMPLNLGQSA-N 0 3 290.342 2.091 10 0 CEAEHN COc1ccc(Cl)cc1[C@H](C)NC[C@@H]1CN(C)CCO1 ZINC000180489275 165313680 /nfs/dbraw/zinc/31/36/80/165313680.db2.gz STEQOJKDBFYWIW-WCQYABFASA-N 0 3 298.814 2.330 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1cncc(F)c1)CC2 ZINC000180610339 165315840 /nfs/dbraw/zinc/31/58/40/165315840.db2.gz UAKUUMOAYVEFRH-GXFFZTMASA-N 0 3 289.358 2.040 10 0 CEAEHN CN(c1ccccc1)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000020189218 171054655 /nfs/dbraw/zinc/05/46/55/171054655.db2.gz SSCLYSZSWXQMLP-UHFFFAOYSA-N 0 3 294.351 2.110 10 0 CEAEHN CN1CCCN(c2ccc(Br)cc2N)CC1 ZINC000020217466 171079992 /nfs/dbraw/zinc/07/99/92/171079992.db2.gz PWIUFAFNNSLQJR-UHFFFAOYSA-N 0 3 284.201 2.173 10 0 CEAEHN CCC(C)(C)OCC(=O)Nc1cccc(CN)c1 ZINC000020508857 171229685 /nfs/dbraw/zinc/22/96/85/171229685.db2.gz DWPLTBKDKDPAKH-UHFFFAOYSA-N 0 3 250.342 2.289 10 0 CEAEHN CC[C@@H](C)NCc1cc(Cl)ccc1OCC(N)=O ZINC000020873344 171277277 /nfs/dbraw/zinc/27/72/77/171277277.db2.gz XCYHGVIZQYQJOE-SECBINFHSA-N 0 3 270.760 2.092 10 0 CEAEHN C[C@@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CCN1C ZINC000020992421 171283873 /nfs/dbraw/zinc/28/38/73/171283873.db2.gz MZZQMNURTKQAOR-CYBMUJFWSA-N 0 3 270.380 2.213 10 0 CEAEHN CC(C)N(C)[C@@H](C)C(=O)Nc1ccc(F)cc1N ZINC000022168933 171367215 /nfs/dbraw/zinc/36/72/15/171367215.db2.gz DWKUNKRHOPMIHB-VIFPVBQESA-N 0 3 253.321 2.075 10 0 CEAEHN COc1cc(OC)c([C@@H](CN)N(C)C(C)C)cc1OC ZINC000022211193 171373513 /nfs/dbraw/zinc/37/35/13/171373513.db2.gz CYKNJGLKRZPCNM-GFCCVEGCSA-N 0 3 282.384 2.052 10 0 CEAEHN Cc1ccccc1OCC(=O)Nc1ccccc1CN ZINC000022216964 171375837 /nfs/dbraw/zinc/37/58/37/171375837.db2.gz QJFFXPVOTJZPTG-UHFFFAOYSA-N 0 3 270.332 2.471 10 0 CEAEHN CNCc1c(N2CCCCC2)nc2sccn12 ZINC000035429914 172198471 /nfs/dbraw/zinc/19/84/71/172198471.db2.gz LYAKCVCKCKLNDU-UHFFFAOYSA-N 0 3 250.371 2.106 10 0 CEAEHN COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2N)c1 ZINC000035571725 172267627 /nfs/dbraw/zinc/26/76/27/172267627.db2.gz DIPGATWUKWINFF-KBPBESRZSA-N 0 3 292.379 2.357 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H](c2cccc(F)c2)C1 ZINC000035571743 172267688 /nfs/dbraw/zinc/26/76/88/172267688.db2.gz PODWONBIEUIEAX-CHWSQXEVSA-N 0 3 280.343 2.487 10 0 CEAEHN C[C@@H](O)c1c(F)cccc1N1CCCN(C)CC1 ZINC000035631485 172313525 /nfs/dbraw/zinc/31/35/25/172313525.db2.gz OGORIKYMFWSOEV-LLVKDONJSA-N 0 3 252.333 2.021 10 0 CEAEHN C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccccn1 ZINC000035694944 172363601 /nfs/dbraw/zinc/36/36/01/172363601.db2.gz SBYAHDFEPDESFF-TZMCWYRMSA-N 0 3 269.348 2.349 10 0 CEAEHN Cn1cc(N[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000035737434 172390225 /nfs/dbraw/zinc/39/02/25/172390225.db2.gz VLMUARFDMSTSHS-OAHLLOKOSA-N 0 3 270.380 2.497 10 0 CEAEHN COCCCNCc1c(C)nc2scc(C)n12 ZINC000037232381 173051463 /nfs/dbraw/zinc/05/14/63/173051463.db2.gz VTTGKBXQCNJHNF-UHFFFAOYSA-N 0 3 253.371 2.139 10 0 CEAEHN COc1nc2sccn2c1CNCCc1ccco1 ZINC000037259002 173069297 /nfs/dbraw/zinc/06/92/97/173069297.db2.gz HFHHWGUTEVNCJI-UHFFFAOYSA-N 0 3 277.349 2.330 10 0 CEAEHN Cc1ncsc1[C@H](C)N[C@@H](C)Cn1ccnc1 ZINC000037320427 173121364 /nfs/dbraw/zinc/12/13/64/173121364.db2.gz OVVABXQZEJGNEZ-ONGXEEELSA-N 0 3 250.371 2.387 10 0 CEAEHN CCOc1ccccc1NC(=O)CN[C@H](C)CC ZINC000037386349 173169224 /nfs/dbraw/zinc/16/92/24/173169224.db2.gz CNBWZWVPHDHNLG-LLVKDONJSA-N 0 3 250.342 2.412 10 0 CEAEHN COC(=O)CCCNCc1cc(C)c(O)c(C)c1 ZINC000037417186 173194769 /nfs/dbraw/zinc/19/47/69/173194769.db2.gz MOHDDZSUIXWRGI-UHFFFAOYSA-N 0 3 251.326 2.052 10 0 CEAEHN C[C@@H](N)c1nc2cc(Br)ccc2n1C ZINC000037441283 173211455 /nfs/dbraw/zinc/21/14/55/173211455.db2.gz JOFIJYGFOWYIKJ-ZCFIWIBFSA-N 0 3 254.131 2.356 10 0 CEAEHN CCOCc1ccccc1CNC[C@H](C)C(=O)OC ZINC000037762451 173689218 /nfs/dbraw/zinc/68/92/18/173689218.db2.gz BSAHPHASRUGKGN-LBPRGKRZSA-N 0 3 265.353 2.122 10 0 CEAEHN Cc1cc(C)c([C@@H](C)NC[C@H]2COCCO2)c(C)n1 ZINC000038061086 174072516 /nfs/dbraw/zinc/07/25/16/174072516.db2.gz OWLARFVRFOUMKJ-OCCSQVGLSA-N 0 3 264.369 2.073 10 0 CEAEHN CC[C@H](C)N[C@@H](C(N)=O)c1ccc(SC)cc1 ZINC000038064833 174075541 /nfs/dbraw/zinc/07/55/41/174075541.db2.gz LUBFCEQDPUQYNG-JOYOIKCWSA-N 0 3 252.383 2.323 10 0 CEAEHN CC[C@H](C)N[C@@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000038065771 174076821 /nfs/dbraw/zinc/07/68/21/174076821.db2.gz WNBBLNVSOWAEHF-IINYFYTJSA-N 0 3 266.410 2.497 10 0 CEAEHN C[C@H](CN[C@H](c1cccs1)c1nccn1C)N(C)C ZINC000038087562 174099285 /nfs/dbraw/zinc/09/92/85/174099285.db2.gz YNFYFWSBPMHXCD-DGCLKSJQSA-N 0 3 278.425 2.111 10 0 CEAEHN OC[C@H](NC1CC1)c1ccc(Br)cc1 ZINC000038124274 174130870 /nfs/dbraw/zinc/13/08/70/174130870.db2.gz XUPPADLDSBNTMT-NSHDSACASA-N 0 3 256.143 2.235 10 0 CEAEHN CSCC[C@@H](N)C(=O)Nc1cccc2cccnc21 ZINC000038314579 174139753 /nfs/dbraw/zinc/13/97/53/174139753.db2.gz GRMLCRHYLSDBHS-LLVKDONJSA-N 0 3 275.377 2.254 10 0 CEAEHN COc1cc(C)ccc1NC(=O)[C@@H](N)C(C)(C)C ZINC000040464326 174274185 /nfs/dbraw/zinc/27/41/85/174274185.db2.gz SUAULHYWMJMKND-GFCCVEGCSA-N 0 3 250.342 2.316 10 0 CEAEHN COc1ccccc1NC(=O)CNCC(C)(C)C ZINC000040493776 174293436 /nfs/dbraw/zinc/29/34/36/174293436.db2.gz GNZKMAJMGFDNLM-UHFFFAOYSA-N 0 3 250.342 2.269 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2cc(Cl)ccc2N)C1 ZINC000040501646 174298423 /nfs/dbraw/zinc/29/84/23/174298423.db2.gz YSNFOPCPJRQNRC-NSHDSACASA-N 0 3 281.787 2.136 10 0 CEAEHN CCCCOCCN[C@@H](C)C(=O)NC(CC)CC ZINC000040507350 174302941 /nfs/dbraw/zinc/30/29/41/174302941.db2.gz DGNIRMPVSFDUOO-LBPRGKRZSA-N 0 3 258.406 2.086 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)Cc2ccccn2)n1 ZINC000040509448 174303270 /nfs/dbraw/zinc/30/32/70/174303270.db2.gz POZCCQYVGAWCEQ-UHFFFAOYSA-N 0 3 256.353 2.189 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)[C@@H](N)CC(C)C)s1 ZINC000040519048 174308823 /nfs/dbraw/zinc/30/88/23/174308823.db2.gz NEGDLFVDFPDMOG-KOLCDFICSA-N 0 3 269.414 2.311 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3ccccc3C)c[nH]2)C1 ZINC000040637843 174361671 /nfs/dbraw/zinc/36/16/71/174361671.db2.gz IWWHVBKSEFUFMV-AAEUAGOBSA-N 0 3 257.337 2.435 10 0 CEAEHN CCN1CCC[C@@H]1CNc1ncc(Br)cc1N ZINC000040713594 174381531 /nfs/dbraw/zinc/38/15/31/174381531.db2.gz WZSZJYDQWBCWDR-SNVBAGLBSA-N 0 3 299.216 2.323 10 0 CEAEHN C[C@H]1CCN(c2nc3sccn3c2CNC2CC2)C1 ZINC000040723718 174385990 /nfs/dbraw/zinc/38/59/90/174385990.db2.gz HHKWIMZEVWPRPB-JTQLQIEISA-N 0 3 276.409 2.494 10 0 CEAEHN C(CN1CC[C@@H]2OCCN[C@H]2C1)C1CCCCC1 ZINC000403995598 414771083 /nfs/dbraw/zinc/77/10/83/414771083.db2.gz KXKKQJNVXBGBRK-GJZGRUSLSA-N 0 3 252.402 2.020 10 0 CEAEHN Cc1cc(F)cc(C(=O)N(C)[C@H](CN)C(F)(F)F)c1 ZINC000662982528 414818261 /nfs/dbraw/zinc/81/82/61/414818261.db2.gz ZFKZLBWROKNFCE-SNVBAGLBSA-N 0 3 278.249 2.096 10 0 CEAEHN CN(C(=O)c1ccc(Cl)c(F)c1)[C@H](CN)C(F)(F)F ZINC000662985335 414818727 /nfs/dbraw/zinc/81/87/27/414818727.db2.gz UOSLKBFZTNOEIY-SECBINFHSA-N 0 3 298.667 2.441 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662987190 414818748 /nfs/dbraw/zinc/81/87/48/414818748.db2.gz RTDKZRXQUNRKSF-UTLUCORTSA-N 0 3 266.307 2.161 10 0 CEAEHN COc1ccc(F)cc1CN[C@H]1CCC[C@@H](O)C1 ZINC000310980737 414858659 /nfs/dbraw/zinc/85/86/59/414858659.db2.gz JQXVNTQWQMHNMN-QWHCGFSZSA-N 0 3 253.317 2.227 10 0 CEAEHN CN1C[C@H](CNCc2cccc(Cl)c2F)CC1=O ZINC000657697696 415053982 /nfs/dbraw/zinc/05/39/82/415053982.db2.gz RHDBOKWWADMPHG-VIFPVBQESA-N 0 3 270.735 2.047 10 0 CEAEHN CN(Cc1cscn1)C[C@@H]1Cc2ccccc2CN1 ZINC000042869510 174896653 /nfs/dbraw/zinc/89/66/53/174896653.db2.gz AKCBNOCENFSERF-AWEZNQCLSA-N 0 3 273.405 2.289 10 0 CEAEHN NCc1cc2c(cc1OCc1ccccc1)OCO2 ZINC000042873660 174898480 /nfs/dbraw/zinc/89/84/80/174898480.db2.gz NWGVONQAUZWTJT-UHFFFAOYSA-N 0 3 257.289 2.453 10 0 CEAEHN N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299974 175000729 /nfs/dbraw/zinc/00/07/29/175000729.db2.gz NBZSYMMJUZUFBA-LDYMZIIASA-N 0 3 294.203 2.428 10 0 CEAEHN CN[C@H](c1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300638 175001520 /nfs/dbraw/zinc/00/15/20/175001520.db2.gz NIYFPKJKWMNLMQ-HIFRSBDPSA-N 0 3 281.421 2.307 10 0 CEAEHN CCN[C@H](c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300938 175001544 /nfs/dbraw/zinc/00/15/44/175001544.db2.gz MLZSKVYVRFRBDQ-ZIAGYGMSSA-N 0 3 267.394 2.080 10 0 CEAEHN CCN[C@@H](c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300821 175001794 /nfs/dbraw/zinc/00/17/94/175001794.db2.gz WABGGBONWWRVRT-MFKMUULPSA-N 0 3 289.347 2.050 10 0 CEAEHN CCN[C@@H]1CCN(c2cc(OC)ccc2Cl)C1=O ZINC000043318010 175005268 /nfs/dbraw/zinc/00/52/68/175005268.db2.gz BDUATCWRJQFYCR-LLVKDONJSA-N 0 3 268.744 2.063 10 0 CEAEHN Cc1ncsc1CCO[C@H](CN)c1ccccn1 ZINC000043342935 175015928 /nfs/dbraw/zinc/01/59/28/175015928.db2.gz OAGYEIHBCSLMBJ-GFCCVEGCSA-N 0 3 263.366 2.106 10 0 CEAEHN NC[C@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccncc1 ZINC000043355131 175023039 /nfs/dbraw/zinc/02/30/39/175023039.db2.gz PGTIHBQLKAOAGU-HNNXBMFYSA-N 0 3 283.331 2.045 10 0 CEAEHN Cc1ccc([C@H]([C@H](C)N)N(C)[C@@H]2CCSC2)o1 ZINC000043364093 175024663 /nfs/dbraw/zinc/02/46/63/175024663.db2.gz QTPMFVAMHOSKCS-LOWVWBTDSA-N 0 3 254.399 2.414 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2ccc(Cl)c(F)c2)CCO1 ZINC000043390130 175033587 /nfs/dbraw/zinc/03/35/87/175033587.db2.gz AYAYYBNAIMTLHA-ZANVPECISA-N 0 3 272.751 2.200 10 0 CEAEHN CN[C@H](CN(C)C(C)C)c1ccc(OC)cc1OC ZINC000043813034 175110995 /nfs/dbraw/zinc/11/09/95/175110995.db2.gz JQJUKQJBTHUIRZ-CQSZACIVSA-N 0 3 266.385 2.305 10 0 CEAEHN CCN[C@H](CN1CCOC[C@@H]1C)c1cc(C)ccc1OC ZINC000043891551 175118222 /nfs/dbraw/zinc/11/82/22/175118222.db2.gz JMFMDNJMFFAYNL-GOEBONIOSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N(C)C1CCOCC1 ZINC000043898470 175120983 /nfs/dbraw/zinc/12/09/83/175120983.db2.gz AHKAWXLESDMPEV-DOTOQJQBSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@@H](CN1CCOCC1(C)C)c1cccc(OC)c1 ZINC000043917050 175125461 /nfs/dbraw/zinc/12/54/61/175125461.db2.gz SRZGSVMJPNUKKP-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N1CCOCC1(C)C ZINC000043917132 175125709 /nfs/dbraw/zinc/12/57/09/175125709.db2.gz KMDQYBRSZZLHDL-HOCLYGCPSA-N 0 3 290.407 2.209 10 0 CEAEHN CCOc1ccccc1[C@H](CN(C)C[C@@H]1CCCO1)NC ZINC000043965899 175127313 /nfs/dbraw/zinc/12/73/13/175127313.db2.gz WIQPIFCWUOPCJG-HOCLYGCPSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN1CCC/C1=C/C=C1\OC(=S)N(CC)C1=O ZINC000044709869 175235726 /nfs/dbraw/zinc/23/57/26/175235726.db2.gz DECLZXRSXROLLJ-DEFDFUCDSA-N 0 3 266.366 2.034 10 0 CEAEHN CC1CCC(NC(=O)[C@@H](CN)Cc2ccccc2)CC1 ZINC000044796566 175254679 /nfs/dbraw/zinc/25/46/79/175254679.db2.gz VSXPUACAYXCOFD-OGVSOVDVSA-N 0 3 274.408 2.499 10 0 CEAEHN CCN(CC(F)(F)F)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044808079 175257158 /nfs/dbraw/zinc/25/71/58/175257158.db2.gz SBWKGKQDHNXNIS-GFCCVEGCSA-N 0 3 288.313 2.215 10 0 CEAEHN O=S(=O)(C[C@H]1CCC[NH2+]1)[N-]c1ccc2ccccc2c1 ZINC000044881436 175269908 /nfs/dbraw/zinc/26/99/08/175269908.db2.gz MZEUZGHLNQPVTL-OAHLLOKOSA-N 0 3 290.388 2.334 10 0 CEAEHN CN(CC(N)=S)Cc1ccc(C(F)(F)F)cc1 ZINC000045063086 175298811 /nfs/dbraw/zinc/29/88/11/175298811.db2.gz UXWSRNLFZXLTQC-UHFFFAOYSA-N 0 3 262.300 2.423 10 0 CEAEHN C[C@](N)(C(=O)N1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000045088356 175304034 /nfs/dbraw/zinc/30/40/34/175304034.db2.gz MPSZODUUSMUHIR-UKRRQHHQSA-N 0 3 250.386 2.295 10 0 CEAEHN CC[C@@H](C)NCc1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169497 175319748 /nfs/dbraw/zinc/31/97/48/175319748.db2.gz IVXFLBPAQIWGSC-SECBINFHSA-N 0 3 261.373 2.315 10 0 CEAEHN CCOC(=O)[C@](C)(CN1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000045224561 175332619 /nfs/dbraw/zinc/33/26/19/175332619.db2.gz KIPBRABMUFJBGL-ZENOOKHLSA-N 0 3 282.428 2.038 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000045224602 175332852 /nfs/dbraw/zinc/33/28/52/175332852.db2.gz ZEOHBASBMAELOI-NFAWXSAZSA-N 0 3 270.417 2.196 10 0 CEAEHN CCC[NH+](CCC)CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000045230416 175335286 /nfs/dbraw/zinc/33/52/86/175335286.db2.gz VPEQCYXMHKPYCN-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)C1CCCC1)NC(C)C ZINC000045266181 175339134 /nfs/dbraw/zinc/33/91/34/175339134.db2.gz FTTYGCVHKWGBCS-OAHLLOKOSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCN(CC)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045267439 175339802 /nfs/dbraw/zinc/33/98/02/175339802.db2.gz SCULVYPSNJOGGQ-MRXNPFEDSA-N 0 3 278.396 2.006 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045274757 175345191 /nfs/dbraw/zinc/34/51/91/175345191.db2.gz GJUCYNWSSKZGNC-LRDDRELGSA-N 0 3 284.444 2.427 10 0 CEAEHN CC(C)CN(CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045277533 175347356 /nfs/dbraw/zinc/34/73/56/175347356.db2.gz KQTHASAXMGDCSP-HNNXBMFYSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)C[N@H+](CC[C@](C)(NC(C)C)C(=O)[O-])C1CC1 ZINC000045277533 175347358 /nfs/dbraw/zinc/34/73/58/175347358.db2.gz KQTHASAXMGDCSP-HNNXBMFYSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)C[N@@H+](CC[C@](C)(NC(C)C)C(=O)[O-])C1CC1 ZINC000045277533 175347359 /nfs/dbraw/zinc/34/73/59/175347359.db2.gz KQTHASAXMGDCSP-HNNXBMFYSA-N 0 3 270.417 2.338 10 0 CEAEHN CCOC(=O)[C@@H](CN1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045379500 175368389 /nfs/dbraw/zinc/36/83/89/175368389.db2.gz ZTBQBFXDRLBDAY-HZSPNIEDSA-N 0 3 270.417 2.179 10 0 CEAEHN CCCN[C@@H](CN1CCCC[C@@H]1CC)C(=O)OCC ZINC000045384021 175371479 /nfs/dbraw/zinc/37/14/79/175371479.db2.gz FEYJHGWABJVBQQ-KBPBESRZSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN[C@@H](CN(CCC)C(C)C)C(=O)OCC ZINC000045385710 175372031 /nfs/dbraw/zinc/37/20/31/175372031.db2.gz UADVNSFPCMKHCH-ZDUSSCGKSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCN[C@@H](CN(C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045420955 175380041 /nfs/dbraw/zinc/38/00/41/175380041.db2.gz RJUMUMURLDZIRR-STQMWFEESA-N 0 3 272.433 2.284 10 0 CEAEHN C[C@H](NC1CC(CO)C1)c1cncc(Br)c1 ZINC000658353371 415333912 /nfs/dbraw/zinc/33/39/12/415333912.db2.gz MOXOCQDKGHKMQT-QTZUAFFRSA-N 0 3 285.185 2.266 10 0 CEAEHN Cc1nn(-c2ccc(Cl)c(CN)n2)cc1Cl ZINC000070704771 176002621 /nfs/dbraw/zinc/00/26/21/176002621.db2.gz CWHNWOKFSMXBJE-UHFFFAOYSA-N 0 3 257.124 2.341 10 0 CEAEHN N[C@H]1CCC(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000070824359 176007438 /nfs/dbraw/zinc/00/74/38/176007438.db2.gz PPTMLZBXMLQHEM-KWQFWETISA-N 0 3 259.136 2.272 10 0 CEAEHN Cc1ccc([C@@H]2[C@@H](N)CCC(=O)N2C(C)C)s1 ZINC000070987026 176018542 /nfs/dbraw/zinc/01/85/42/176018542.db2.gz FCGGCBHSQMPWQD-GWCFXTLKSA-N 0 3 252.383 2.456 10 0 CEAEHN [O-]c1ccc(C[NH2+][C@@H]2CCCOC2)cc1Br ZINC000071012610 176020795 /nfs/dbraw/zinc/02/07/95/176020795.db2.gz FXOGHHHOEXJTAZ-SNVBAGLBSA-N 0 3 286.169 2.423 10 0 CEAEHN CC(C)N[C@H]1CCN(c2ccc(N3CCCC3)cc2)C1=O ZINC000071031286 176022489 /nfs/dbraw/zinc/02/24/89/176022489.db2.gz ZSFBGHBNKSTTJR-INIZCTEOSA-N 0 3 287.407 2.390 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2cccc(F)c2F)C1=O ZINC000071031071 176022518 /nfs/dbraw/zinc/02/25/18/176022518.db2.gz VJFKIAGBPIGKLQ-SNVBAGLBSA-N 0 3 254.280 2.068 10 0 CEAEHN Cc1ccc([C@@H](C)N2CCC[C@H](NC3CC3)C2=O)o1 ZINC000071033756 176024075 /nfs/dbraw/zinc/02/40/75/176024075.db2.gz CDOHXRJJLJTOQT-YPMHNXCESA-N 0 3 262.353 2.392 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1C12CC3CC(CC(C3)C1)C2 ZINC000071035700 176025212 /nfs/dbraw/zinc/02/52/12/176025212.db2.gz LZWXJAPNCCHDSO-BGCMAFRMSA-N 0 3 274.408 2.308 10 0 CEAEHN CCOc1ccc(N2CC[C@H](NC(C)C)C2=O)cc1 ZINC000071035742 176025380 /nfs/dbraw/zinc/02/53/80/176025380.db2.gz XWVIACHFZZOYJL-AWEZNQCLSA-N 0 3 262.353 2.189 10 0 CEAEHN CC(C)N[C@H]1CCN(c2cc(F)ccc2F)C1=O ZINC000071037868 176026352 /nfs/dbraw/zinc/02/63/52/176026352.db2.gz MHGVAQCIFWUCHD-NSHDSACASA-N 0 3 254.280 2.068 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1CCc1cccc(F)c1 ZINC000071040536 176027706 /nfs/dbraw/zinc/02/77/06/176027706.db2.gz NCSFSNIUKZUVIM-HNNXBMFYSA-N 0 3 276.355 2.111 10 0 CEAEHN CC(C)N[C@H]1CCN(c2ccc3ncccc3c2)C1=O ZINC000071042559 176028626 /nfs/dbraw/zinc/02/86/26/176028626.db2.gz ODNYIGNUFICGMX-HNNXBMFYSA-N 0 3 269.348 2.338 10 0 CEAEHN CC[C@@H]1CCC[C@H](O[C@@H](CN)c2cnn(C)c2)C1 ZINC000071130590 176035985 /nfs/dbraw/zinc/03/59/85/176035985.db2.gz AWTVCQRTOQJJIB-XBFCOCLRSA-N 0 3 251.374 2.405 10 0 CEAEHN Cc1cc(C)c(CN)c(N[C@H](CO)Cc2ccccc2)n1 ZINC000071187520 176060488 /nfs/dbraw/zinc/06/04/88/176060488.db2.gz MQDUHFJBINIZPM-HNNXBMFYSA-N 0 3 285.391 2.173 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)c1nc2ccc(N)cc2s1 ZINC000071188385 176062534 /nfs/dbraw/zinc/06/25/34/176062534.db2.gz DBHOTBAPTBGWAW-SNVBAGLBSA-N 0 3 276.409 2.266 10 0 CEAEHN C[C@H]1CCC[C@H]1NCc1cc(C(N)=O)ccc1F ZINC000071207303 176080897 /nfs/dbraw/zinc/08/08/97/176080897.db2.gz KEFHFFRWUZAIIA-TVQRCGJNSA-N 0 3 250.317 2.203 10 0 CEAEHN NC(=S)c1cc(F)ccc1CN1CCC[C@@H]1CCCO ZINC000071266237 176099863 /nfs/dbraw/zinc/09/98/63/176099863.db2.gz ROJRQUXTZHDNDH-CYBMUJFWSA-N 0 3 296.411 2.197 10 0 CEAEHN Nc1ccn(CCCN2CCC[C@H]2c2cccnc2)n1 ZINC000071352052 176135101 /nfs/dbraw/zinc/13/51/01/176135101.db2.gz RGQOHJGXIWQSAU-AWEZNQCLSA-N 0 3 271.368 2.088 10 0 CEAEHN CNCc1cc(C)ccc1OCC(=O)NC(C)(C)C ZINC000071403716 176155306 /nfs/dbraw/zinc/15/53/06/176155306.db2.gz CBSMMNYARYJNCV-UHFFFAOYSA-N 0 3 264.369 2.008 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1ccc(C)cc1CNC(C)C ZINC000071406634 176156455 /nfs/dbraw/zinc/15/64/55/176156455.db2.gz IICRPKHUGVXFLM-CYBMUJFWSA-N 0 3 278.396 2.396 10 0 CEAEHN COc1ccc2c(ccn(C3CCN(C)CC3)c2=O)c1 ZINC000071503262 176192929 /nfs/dbraw/zinc/19/29/29/176192929.db2.gz XGHHCZQMPAMNSI-UHFFFAOYSA-N 0 3 272.348 2.277 10 0 CEAEHN COc1cc([C@H](CO)NC(C)C)c(OC)cc1C ZINC000071574798 176201935 /nfs/dbraw/zinc/20/19/35/176201935.db2.gz SPQXTBMSCVOXCN-LBPRGKRZSA-N 0 3 253.342 2.044 10 0 CEAEHN N[C@@H](CO)COc1ccc(Oc2ccccc2)cc1 ZINC000071585256 176210839 /nfs/dbraw/zinc/21/08/39/176210839.db2.gz NSNYDZPYIPVYKK-LBPRGKRZSA-N 0 3 259.305 2.177 10 0 CEAEHN COC[C@@H](N)c1ccc(OC)c(Br)c1 ZINC000071585896 176211696 /nfs/dbraw/zinc/21/16/96/176211696.db2.gz VOGPLRCMUUHOQC-SECBINFHSA-N 0 3 260.131 2.104 10 0 CEAEHN O=C(NC1CCC(C2CCC2)CC1)[C@H]1C[C@H](F)CN1 ZINC000662734517 415948606 /nfs/dbraw/zinc/94/86/06/415948606.db2.gz BUGPYOKXYQKGMM-GNRIBBGQSA-N 0 3 268.376 2.162 10 0 CEAEHN CNCC(=O)N[C@@H](C)c1cc(C(C)C)ccc1OC ZINC000076368857 177005775 /nfs/dbraw/zinc/00/57/75/177005775.db2.gz XLAXKANKFPEBGY-NSHDSACASA-N 0 3 264.369 2.215 10 0 CEAEHN Cc1cc2nc([C@@H](C)N)cn2cc1Br ZINC000076792492 177097203 /nfs/dbraw/zinc/09/72/03/177097203.db2.gz FCZFXPDNZUKLAH-SSDOTTSWSA-N 0 3 254.131 2.425 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC=CCC1 ZINC000077570013 177281757 /nfs/dbraw/zinc/28/17/57/177281757.db2.gz BXPZSWKBXMJLAP-KGLIPLIRSA-N 0 3 267.417 2.371 10 0 CEAEHN CC[C@H](NC[C@@H]1CN(CC)CCO1)c1ccccc1 ZINC000078516235 177348793 /nfs/dbraw/zinc/34/87/93/177348793.db2.gz FVKWZGUSSJRCMD-CVEARBPZSA-N 0 3 262.397 2.448 10 0 CEAEHN CCC[C@H](COC)NCC(=O)NC1CCCCCC1 ZINC000079744388 177549488 /nfs/dbraw/zinc/54/94/88/177549488.db2.gz MTRHIHIIHBKEDU-CQSZACIVSA-N 0 3 270.417 2.230 10 0 CEAEHN C[NH2+]Cc1cc(=O)[n-]c(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000079939499 177584051 /nfs/dbraw/zinc/58/40/51/177584051.db2.gz DDHCLPQDAOYASN-UHFFFAOYSA-N 0 3 298.173 2.387 10 0 CEAEHN CCNCc1cn(Cc2ccc(OC)c(F)c2)nc1C ZINC000080074001 177605276 /nfs/dbraw/zinc/60/52/76/177605276.db2.gz FABWKQSSHDVMHN-UHFFFAOYSA-N 0 3 277.343 2.497 10 0 CEAEHN Cc1cc(CN[C@H](C)COCc2ccccc2)n(C)n1 ZINC000390586623 262223691 /nfs/dbraw/zinc/22/36/91/262223691.db2.gz NPLCBQGVGBIPLR-CQSZACIVSA-N 0 3 273.380 2.423 10 0 CEAEHN CCC1CCC(NC(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000127005325 264246302 /nfs/dbraw/zinc/24/63/02/264246302.db2.gz ZUBJOQAESFEWCG-BLYZHGLHSA-N 0 3 252.402 2.460 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@@H]2CCC[C@@H]2C)C1 ZINC000185920918 270246872 /nfs/dbraw/zinc/24/68/72/270246872.db2.gz OAXLWSVZUJTBER-IHRRRGAJSA-N 0 3 252.402 2.413 10 0 CEAEHN CCC[C@H](C(=O)NCCc1cc(C)c(O)c(C)c1)N(C)C ZINC000188745212 270258074 /nfs/dbraw/zinc/25/80/74/270258074.db2.gz QVKMDGORTSPUPI-OAHLLOKOSA-N 0 3 292.423 2.398 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(F)cc2OC)C1 ZINC000194335405 270296611 /nfs/dbraw/zinc/29/66/11/270296611.db2.gz FRAMVDLDTSWNIO-GFCCVEGCSA-N 0 3 295.358 2.440 10 0 CEAEHN Cc1ncc(C(=O)N[C@H](CN(C)C)c2ccccc2)s1 ZINC000195221871 270307100 /nfs/dbraw/zinc/30/71/00/270307100.db2.gz DHBQWFUWHSDWFR-CYBMUJFWSA-N 0 3 289.404 2.484 10 0 CEAEHN CC[C@@](C)(O)CN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000229977551 270313272 /nfs/dbraw/zinc/31/32/72/270313272.db2.gz FKZWNANHSWARHS-OAHLLOKOSA-N 0 3 286.416 2.090 10 0 CEAEHN CC(C)(C)C1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261895121 275509747 /nfs/dbraw/zinc/50/97/47/275509747.db2.gz VXFQXDZTCNHEEN-AWEZNQCLSA-N 0 3 282.428 2.025 10 0 CEAEHN CC(C)C[C@@H]1OCCC[C@@H]1NC[C@@H](O)C(F)(F)F ZINC000249422547 275909140 /nfs/dbraw/zinc/90/91/40/275909140.db2.gz HSFSWBOZTPWEAB-GARJFASQSA-N 0 3 269.307 2.093 10 0 CEAEHN CC(C)[C@H]1N(CC2(O)CCCC2)C[C@]12CCCO2 ZINC000334527563 276034842 /nfs/dbraw/zinc/03/48/42/276034842.db2.gz GHAATUMLVBIIBR-UKRRQHHQSA-N 0 3 253.386 2.181 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177437541 276375068 /nfs/dbraw/zinc/37/50/68/276375068.db2.gz WUHKNNSBWYUASV-ZNMIVQPWSA-N 0 3 279.428 2.302 10 0 CEAEHN CN1C(=O)C[C@@H](NCC2(O)CCCCC2)c2ccccc21 ZINC000087017008 277012050 /nfs/dbraw/zinc/01/20/50/277012050.db2.gz SDOJKFRRQUCJCY-CQSZACIVSA-N 0 3 288.391 2.379 10 0 CEAEHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000088445886 277749022 /nfs/dbraw/zinc/74/90/22/277749022.db2.gz VMDOOLBETQBMGB-OPRDCNLKSA-N 0 3 266.307 2.207 10 0 CEAEHN CC(C)CC1(C(=O)N2CCO[C@@H](CN(C)C)C2)CCCC1 ZINC000155251433 278737704 /nfs/dbraw/zinc/73/77/04/278737704.db2.gz AOUWKDXJBYWPPK-HNNXBMFYSA-N 0 3 296.455 2.382 10 0 CEAEHN Cc1ccccc1[C@H](C)NC1CCS(=O)(=O)CC1 ZINC000035652290 278962816 /nfs/dbraw/zinc/96/28/16/278962816.db2.gz CQCCXCYDUDORTG-LBPRGKRZSA-N 0 3 267.394 2.223 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000245422769 279297188 /nfs/dbraw/zinc/29/71/88/279297188.db2.gz AIHAAMWFEHAXTB-KFWWJZLASA-N 0 3 282.428 2.277 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC(C)(C)C ZINC000177428042 279324990 /nfs/dbraw/zinc/32/49/90/279324990.db2.gz MSNWUIPLDMVAPQ-LBPRGKRZSA-N 0 3 255.406 2.158 10 0 CEAEHN C[C@H](Cn1cccn1)N[C@@H]1CCOc2ccccc21 ZINC000037155071 279387595 /nfs/dbraw/zinc/38/75/95/279387595.db2.gz FTFRQPOJHMGWHB-TZMCWYRMSA-N 0 3 257.337 2.385 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1Nc1ccnc2ccccc21 ZINC000281660552 280040800 /nfs/dbraw/zinc/04/08/00/280040800.db2.gz ONMCJLTUXBOIFU-PWSUYJOCSA-N 0 3 255.321 2.314 10 0 CEAEHN CCCC[C@H](NC[C@H]1CCCN1CC(C)C)C(=O)OC ZINC000135256328 280040829 /nfs/dbraw/zinc/04/08/29/280040829.db2.gz NKXDDRKPXLYZSU-CABCVRRESA-N 0 3 284.444 2.428 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc(C(F)F)cc2)C1 ZINC000185703727 280125573 /nfs/dbraw/zinc/12/55/73/280125573.db2.gz KDMNXCGZHXKZBD-CYBMUJFWSA-N 0 3 297.349 2.470 10 0 CEAEHN Cc1c(CN2C[C@@H](C)NCc3ccccc32)cnn1C ZINC000334879238 280226071 /nfs/dbraw/zinc/22/60/71/280226071.db2.gz AMWCJDAAAMCUNI-GFCCVEGCSA-N 0 3 270.380 2.227 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245753460 280259676 /nfs/dbraw/zinc/25/96/76/280259676.db2.gz ZBNXWOABJXGYJY-LXTVHRRPSA-N 0 3 297.443 2.068 10 0 CEAEHN COCCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCC1 ZINC000246032401 280270580 /nfs/dbraw/zinc/27/05/80/280270580.db2.gz PZPKJZNESUJLSW-UONOGXRCSA-N 0 3 282.428 2.038 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@@H]2CC[C@@H](C)C2)C1 ZINC000246424309 280292852 /nfs/dbraw/zinc/29/28/52/280292852.db2.gz CUCJVDFUFKAKKB-MCIONIFRSA-N 0 3 252.402 2.413 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000246457711 280294788 /nfs/dbraw/zinc/29/47/88/280294788.db2.gz NDDXMPIAFDAMOO-RDBSUJKOSA-N 0 3 252.402 2.125 10 0 CEAEHN CC[C@@H]1CN(Cc2sc(C)nc2C)CCN1C[C@H](C)O ZINC000246631609 280304305 /nfs/dbraw/zinc/30/43/05/280304305.db2.gz HTTZCEJBZSYIHG-SMDDNHRTSA-N 0 3 297.468 2.037 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]1C(C)C ZINC000249289287 280391292 /nfs/dbraw/zinc/39/12/92/280391292.db2.gz JWIAMBRXUCXQPZ-RDBSUJKOSA-N 0 3 252.402 2.221 10 0 CEAEHN Cc1cc(C)cc(CNC[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106379424 280417600 /nfs/dbraw/zinc/41/76/00/280417600.db2.gz QFDYPBBGZVBNEC-QGZVFWFLSA-N 0 3 274.408 2.256 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245470963 288304368 /nfs/dbraw/zinc/30/43/68/288304368.db2.gz XBLBURHQBIPIQJ-ZSAUSMIDSA-N 0 3 262.397 2.118 10 0 CEAEHN CN(C)C(=O)CN[C@@H]1CCc2c1cccc2Br ZINC000151719835 289065535 /nfs/dbraw/zinc/06/55/35/289065535.db2.gz HLVMWVPHPKZUCA-GFCCVEGCSA-N 0 3 297.196 2.114 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(Cc2sccc2C)C1 ZINC000153901698 289126936 /nfs/dbraw/zinc/12/69/36/289126936.db2.gz KSFDJMQLNAKEFX-GFCCVEGCSA-N 0 3 252.383 2.157 10 0 CEAEHN Cn1c(CNC[C@H](O)C(C)(C)C)nc2ccccc21 ZINC000304007565 289270061 /nfs/dbraw/zinc/27/00/61/289270061.db2.gz BBLCDPYZRWXONY-ZDUSSCGKSA-N 0 3 261.369 2.070 10 0 CEAEHN C[C@H](CCN[C@H]1CCn2ccnc21)NC(=O)OC(C)(C)C ZINC000294074180 289492413 /nfs/dbraw/zinc/49/24/13/289492413.db2.gz LBEKIVVQVWVEFJ-NEPJUHHUSA-N 0 3 294.399 2.221 10 0 CEAEHN C[C@H](O)CN1CCN(CC2CCC(C)CC2)C[C@@H]1C ZINC000245784847 290112838 /nfs/dbraw/zinc/11/28/38/290112838.db2.gz UYCCRWXPTHQYOP-PYBGIAKNSA-N 0 3 268.445 2.200 10 0 CEAEHN C[C@H](c1ccccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000246938311 290266237 /nfs/dbraw/zinc/26/62/37/290266237.db2.gz JXXJNLZYMSGHHO-ZIAGYGMSSA-N 0 3 278.371 2.293 10 0 CEAEHN NC1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000147746099 303356199 /nfs/dbraw/zinc/35/61/99/303356199.db2.gz KKCIXLAKRBXWCX-DTWKUNHWSA-N 0 3 264.291 2.105 10 0 CEAEHN Cc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)c(Cl)c1 ZINC000191251908 321787806 /nfs/dbraw/zinc/78/78/06/321787806.db2.gz RGTWBAOVCUVIMM-LBPRGKRZSA-N 0 3 296.798 2.051 10 0 CEAEHN OC1CC(CNCc2cccc(Br)c2F)C1 ZINC000394935016 329218830 /nfs/dbraw/zinc/21/88/30/329218830.db2.gz PCEISBIDEGBLTL-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN CC(C)N[C@@](CSC(C)(C)C)(C(N)=O)C1CC1 ZINC000069185220 519737762 /nfs/dbraw/zinc/73/77/62/519737762.db2.gz VXQRUSVUVNSUKE-CYBMUJFWSA-N 0 3 258.431 2.150 10 0 CEAEHN CCCNCc1cccc(N(C)CCCOC)n1 ZINC000062035921 519954215 /nfs/dbraw/zinc/95/42/15/519954215.db2.gz PGXQEHJYFIUDHY-UHFFFAOYSA-N 0 3 251.374 2.054 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1F)[C@@H]1COCCO1 ZINC000055300562 520018623 /nfs/dbraw/zinc/01/86/23/520018623.db2.gz BPFOXNJUJBRLCB-KBPBESRZSA-N 0 3 271.307 2.421 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1)[C@H]1COCCO1 ZINC000055300435 520091357 /nfs/dbraw/zinc/09/13/57/520091357.db2.gz XTELAPXCQLWKCD-HUUCEWRRSA-N 0 3 265.353 2.151 10 0 CEAEHN CCCNc1cc(CN(C)[C@@H](C)COC)ccn1 ZINC000052724772 520136903 /nfs/dbraw/zinc/13/69/03/520136903.db2.gz NGEZAOLSJJHURC-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN CCCCCN(C)C[C@](NCCC)(C(=O)OC)C1CC1 ZINC000069098317 520151042 /nfs/dbraw/zinc/15/10/42/520151042.db2.gz NPWVZFQXLGSNFB-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCOC[C@H](O)COc1ccc(C)cc1[C@H](C)NC ZINC000069275530 520164579 /nfs/dbraw/zinc/16/45/79/520164579.db2.gz FULICNAXKWIIHK-STQMWFEESA-N 0 3 267.369 2.052 10 0 CEAEHN CC1(C)CCN(Cc2cccnc2C(N)=S)CC1 ZINC000061820071 520379470 /nfs/dbraw/zinc/37/94/70/520379470.db2.gz UOASJIPNTVIXAW-UHFFFAOYSA-N 0 3 263.410 2.338 10 0 CEAEHN CCCCN(CC)C[C@](NC)(C(=O)OCC)C1CC1 ZINC000069090271 520479477 /nfs/dbraw/zinc/47/94/77/520479477.db2.gz AUNXMVAXHMNURZ-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CC1(C)COCCN1c1ccc(Cl)cc1CN ZINC000052857097 520506623 /nfs/dbraw/zinc/50/66/23/520506623.db2.gz RYMJNHFQRWEASR-UHFFFAOYSA-N 0 3 254.761 2.414 10 0 CEAEHN CCCN(CCN(C)C)Cc1cccnc1NCC ZINC000052727991 521658188 /nfs/dbraw/zinc/65/81/88/521658188.db2.gz MTAOHMMZYZAMBE-UHFFFAOYSA-N 0 3 264.417 2.287 10 0 CEAEHN CN[C@H](C)c1cnc(N2CCSC[C@@H]2C)s1 ZINC000069762120 522453177 /nfs/dbraw/zinc/45/31/77/522453177.db2.gz RQFXOBWDUGQCCN-DTWKUNHWSA-N 0 3 257.428 2.365 10 0 CEAEHN CC(C)(C)c1ccc(CN[C@@H]2CCCNC2=O)s1 ZINC000149763647 519032760 /nfs/dbraw/zinc/03/27/60/519032760.db2.gz XZXUSUKIHUVINW-LLVKDONJSA-N 0 3 266.410 2.414 10 0 CEAEHN CC(C)(C)n1ccnc(Oc2cccc(F)c2CN)c1=O ZINC000061770696 519168349 /nfs/dbraw/zinc/16/83/49/519168349.db2.gz GRVDXTGUDRJUIT-UHFFFAOYSA-N 0 3 291.326 2.388 10 0 CEAEHN CC(C)Cn1ccnc(NC[C@H](C)N2CCCCC2)c1=O ZINC000061763908 519518995 /nfs/dbraw/zinc/51/89/95/519518995.db2.gz BGIPJQRELBSPIV-AWEZNQCLSA-N 0 3 292.427 2.186 10 0 CEAEHN CC(C)NCc1ccoc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000052380296 519727735 /nfs/dbraw/zinc/72/77/35/519727735.db2.gz ZMOWKYPVMLYMJN-STQMWFEESA-N 0 3 266.385 2.387 10 0 CEAEHN CC(C)N[C@@](CO[C@@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196139 519737696 /nfs/dbraw/zinc/73/76/96/519737696.db2.gz VZRQQTMHWNGJCG-JGGQBBKZSA-N 0 3 282.428 2.214 10 0 CEAEHN CC(C)CN[C@@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503106 519749235 /nfs/dbraw/zinc/74/92/35/519749235.db2.gz ICTQYBLBOXXTNE-CQSZACIVSA-N 0 3 257.337 2.007 10 0 CEAEHN CC(C)CSC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069184216 519769606 /nfs/dbraw/zinc/76/96/06/519769606.db2.gz KAPNFVYRDUFFSQ-CYBMUJFWSA-N 0 3 258.431 2.008 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1cccc2c1NCCC2 ZINC000050957974 519793504 /nfs/dbraw/zinc/79/35/04/519793504.db2.gz VUPNZNPVCJQLBD-OAHLLOKOSA-N 0 3 289.423 2.361 10 0 CEAEHN CC(C)c1ccc(SCC[C@H](N)C(N)=O)cc1 ZINC000062598608 519838882 /nfs/dbraw/zinc/83/88/82/519838882.db2.gz UGRWVYYATHPABB-LBPRGKRZSA-N 0 3 252.383 2.105 10 0 CEAEHN CCCC(=O)N1CCN(c2ccc3nc(C)[nH]c3c2)CC1 ZINC000062578625 519869154 /nfs/dbraw/zinc/86/91/54/519869154.db2.gz HICXZDPSXMNZPC-UHFFFAOYSA-N 0 3 286.379 2.320 10 0 CEAEHN CCCNC(=O)CNC[C@@H]1CCCc2ccccc21 ZINC000070164353 519880402 /nfs/dbraw/zinc/88/04/02/519880402.db2.gz LOANUSHJCXTIJK-AWEZNQCLSA-N 0 3 260.381 2.222 10 0 CEAEHN CCCn1nccc1[C@H](N)Cc1csc(C)n1 ZINC000069472253 519892430 /nfs/dbraw/zinc/89/24/30/519892430.db2.gz WPWOQFAZFJXFBB-LLVKDONJSA-N 0 3 250.371 2.301 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1sccc1C(=O)OCC ZINC000061298786 519908259 /nfs/dbraw/zinc/90/82/59/519908259.db2.gz JQLLZOVXAXVIMO-UHFFFAOYSA-N 0 3 284.381 2.251 10 0 CEAEHN CCCNCc1cc(CN(CCOC)CCOC)c(C)o1 ZINC000052571507 519946287 /nfs/dbraw/zinc/94/62/87/519946287.db2.gz SAJWTNDBOMSBNF-UHFFFAOYSA-N 0 3 298.427 2.182 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(N)=O ZINC000062747396 519989419 /nfs/dbraw/zinc/98/94/19/519989419.db2.gz JHUVMBXDOPDTIT-UWVGGRQHSA-N 0 3 268.332 2.139 10 0 CEAEHN CCNCc1cc(OC)ccc1O[C@H](C)C(=O)OCC ZINC000049954668 519993311 /nfs/dbraw/zinc/99/33/11/519993311.db2.gz BIDZTGHTOGQCSG-LLVKDONJSA-N 0 3 281.352 2.135 10 0 CEAEHN CCNCc1ccoc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000052540170 520011120 /nfs/dbraw/zinc/01/11/20/520011120.db2.gz GJXOIMIKOUTNGH-UONOGXRCSA-N 0 3 264.369 2.142 10 0 CEAEHN CCNCc1cnc(N(CC)[C@@H](C)COC)s1 ZINC000054906491 520015776 /nfs/dbraw/zinc/01/57/76/520015776.db2.gz XYFWNFBBDYPJKU-JTQLQIEISA-N 0 3 257.403 2.114 10 0 CEAEHN CC(C)n1ccnc(Oc2cccc(F)c2CN)c1=O ZINC000061770680 520022862 /nfs/dbraw/zinc/02/28/62/520022862.db2.gz XNEBHGZOQHXDLN-UHFFFAOYSA-N 0 3 277.299 2.214 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCC(=O)OCC)ccc21 ZINC000062805161 520026774 /nfs/dbraw/zinc/02/67/74/520026774.db2.gz BAKQUOQMMQLTIF-CYBMUJFWSA-N 0 3 279.336 2.062 10 0 CEAEHN CCNCc1oc(CN2CCO[C@H]3CCC[C@@H]32)cc1C ZINC000052540409 520027666 /nfs/dbraw/zinc/02/76/66/520027666.db2.gz NYTGAWJXQZUALD-GJZGRUSLSA-N 0 3 278.396 2.451 10 0 CEAEHN CCNCc1occc1CN(C)Cc1ccncc1 ZINC000052480939 520030316 /nfs/dbraw/zinc/03/03/16/520030316.db2.gz BEZORIOPOGXFEV-UHFFFAOYSA-N 0 3 259.353 2.416 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)N(C)C ZINC000062747002 520075990 /nfs/dbraw/zinc/07/59/90/520075990.db2.gz SGNDISJUHYBQAR-QWRGUYRKSA-N 0 3 282.359 2.352 10 0 CEAEHN CCCN[C@H](CCOc1ccc(CCC)cc1)C(N)=O ZINC000062596148 520078495 /nfs/dbraw/zinc/07/84/95/520078495.db2.gz BJRGYSLVKRUEEN-OAHLLOKOSA-N 0 3 278.396 2.262 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2CCSCC2)s1 ZINC000054901838 520079699 /nfs/dbraw/zinc/07/96/99/520079699.db2.gz SPIYBUCPGWTJSF-VIFPVBQESA-N 0 3 257.428 2.367 10 0 CEAEHN CCCCCCOC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069195236 520099955 /nfs/dbraw/zinc/09/99/55/520099955.db2.gz SHTCQWNBBRDMGP-HNNXBMFYSA-N 0 3 270.417 2.215 10 0 CEAEHN CCN[C@@H](CO[C@H](C)COC)c1ccc2c(c1)OCO2 ZINC000070207077 520099915 /nfs/dbraw/zinc/09/99/15/520099915.db2.gz LIJOLTXFGOOAAP-YPMHNXCESA-N 0 3 281.352 2.117 10 0 CEAEHN CCN[C@@H](Cc1cnn(C)c1)c1ccccc1OC ZINC000050542251 520105677 /nfs/dbraw/zinc/10/56/77/520105677.db2.gz NBANKMOESVXMAG-AWEZNQCLSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@@H](Cc1ccccc1OC)c1nccn1C ZINC000069473600 520106510 /nfs/dbraw/zinc/10/65/10/520106510.db2.gz QAJHNCAXIHXAET-ZDUSSCGKSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@@H](c1ccc(OC)c(Cl)c1)[C@H]1COCCO1 ZINC000055299866 520109939 /nfs/dbraw/zinc/10/99/39/520109939.db2.gz LZTFCGIDLGTXPF-KGLIPLIRSA-N 0 3 285.771 2.415 10 0 CEAEHN CCCN[C@](CN(C)CC1CC1)(C(=O)OCC)C1CC1 ZINC000069100715 520117901 /nfs/dbraw/zinc/11/79/01/520117901.db2.gz SSZFNHFUHSEQTH-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCN[C@](COc1cc(C)cc(C)c1)(C(N)=O)C1CC1 ZINC000069197365 520123408 /nfs/dbraw/zinc/12/34/08/520123408.db2.gz YOHYWIZXULXSJA-KRWDZBQOSA-N 0 3 290.407 2.316 10 0 CEAEHN CCN[C@@H]1COc2cc(O[C@H]3CCCC[C@@H]3O)ccc21 ZINC000062804763 520124663 /nfs/dbraw/zinc/12/46/63/520124663.db2.gz QRGGFNPELRUORE-ILXRZTDVSA-N 0 3 277.364 2.412 10 0 CEAEHN CCN[C@@](CN(C)CC(C)(C)C)(C(=O)OCC)C1CC1 ZINC000069132529 520148897 /nfs/dbraw/zinc/14/88/97/520148897.db2.gz MVCZAAIAXLBBJZ-MRXNPFEDSA-N 0 3 284.444 2.286 10 0 CEAEHN CCCNc1cccc(C(=O)N(C)[C@@H]2CCCN(C)C2)n1 ZINC000053251018 520172223 /nfs/dbraw/zinc/17/22/23/520172223.db2.gz KTVRTNQJBFUFGV-CYBMUJFWSA-N 0 3 290.411 2.070 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OC[C@@H](O)COC ZINC000069054007 520176763 /nfs/dbraw/zinc/17/67/63/520176763.db2.gz YLTVIGFKSGGMED-OLZOCXBDSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)OC ZINC000062746745 520177611 /nfs/dbraw/zinc/17/76/11/520177611.db2.gz LBAUHVRFKODXRF-ZJUUUORDSA-N 0 3 269.316 2.437 10 0 CEAEHN CCN[C@H](C)c1cnn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054600082 520181989 /nfs/dbraw/zinc/18/19/89/520181989.db2.gz LISHDHPLCBFZLD-HONMWMINSA-N 0 3 251.374 2.338 10 0 CEAEHN CCN[C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCCO1 ZINC000050962048 520209556 /nfs/dbraw/zinc/20/95/56/520209556.db2.gz XMPGRSYTIQOFJD-ZIAGYGMSSA-N 0 3 275.352 2.076 10 0 CEAEHN CCCO[C@@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000061612558 520268042 /nfs/dbraw/zinc/26/80/42/520268042.db2.gz YHCWZVYMMIXJDI-HZPDHXFCSA-N 0 3 290.407 2.147 10 0 CEAEHN CCCC[N@H+](CC[C@H](NCC)C(=O)[O-])[C@@H](C)CC ZINC000062527609 520539542 /nfs/dbraw/zinc/53/95/42/520539542.db2.gz XPTTVLHKERIOSH-STQMWFEESA-N 0 3 258.406 2.340 10 0 CEAEHN CCCC[N@@H+](CC[C@H](NCC)C(=O)[O-])[C@@H](C)CC ZINC000062527609 520539546 /nfs/dbraw/zinc/53/95/46/520539546.db2.gz XPTTVLHKERIOSH-STQMWFEESA-N 0 3 258.406 2.340 10 0 CEAEHN CCCS(=O)(=O)c1ccccc1N1C[C@@H](C)N[C@@H](C)C1 ZINC000053711963 520545024 /nfs/dbraw/zinc/54/50/24/520545024.db2.gz ANPGBYNZPNHUKU-BETUJISGSA-N 0 3 296.436 2.057 10 0 CEAEHN CCOC(=O)C[C@@]1(N2CCOCC2)C[C@H](C)CC[C@@H]1C ZINC000068633916 520861500 /nfs/dbraw/zinc/86/15/00/520861500.db2.gz MDAHJRPTIWXQPU-YCPHGPKFSA-N 0 3 283.412 2.467 10 0 CEAEHN CCCC[C@@H](C)NS(=O)(=O)c1cccc2c1CCNC2 ZINC000050889779 521010023 /nfs/dbraw/zinc/01/00/23/521010023.db2.gz PJPSXBOKBZJXBZ-GFCCVEGCSA-N 0 3 296.436 2.189 10 0 CEAEHN CCOc1ccc(N)cc1CN1CCN(CC(C)C)CC1 ZINC000055076902 521030299 /nfs/dbraw/zinc/03/02/99/521030299.db2.gz BDBLVLOWWGHTLC-UHFFFAOYSA-N 0 3 291.439 2.441 10 0 CEAEHN CCCC[C@H](C)N[C@@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000050888000 521152873 /nfs/dbraw/zinc/15/28/73/521152873.db2.gz FKFPNHRDNAEJKG-SDDRHHMPSA-N 0 3 254.374 2.081 10 0 CEAEHN CCOC(=O)[C@@](CN(C)CC1CCC1)(NC1CC1)C1CC1 ZINC000069231917 521164402 /nfs/dbraw/zinc/16/44/02/521164402.db2.gz BJVJNWHHYXAFAN-KRWDZBQOSA-N 0 3 294.439 2.182 10 0 CEAEHN CCOC(=O)[C@H](C)CNCc1ccc(F)cc1F ZINC000051017237 521188664 /nfs/dbraw/zinc/18/86/64/521188664.db2.gz GAFZCZSLOXOAAL-SECBINFHSA-N 0 3 257.280 2.254 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555881 521341633 /nfs/dbraw/zinc/34/16/33/521341633.db2.gz ULOHBVXYDJEJRW-KBPBESRZSA-N 0 3 285.476 2.246 10 0 CEAEHN CCN(Cc1ccnc(C(N)=S)c1)CC(C)C ZINC000068751924 521411865 /nfs/dbraw/zinc/41/18/65/521411865.db2.gz FQMOJZURASPQSC-UHFFFAOYSA-N 0 3 251.399 2.194 10 0 CEAEHN CCN(Cc1ccnc(C(N)=S)c1)C1CCCC1 ZINC000068751977 521412904 /nfs/dbraw/zinc/41/29/04/521412904.db2.gz RWCUUJRUCZCESL-UHFFFAOYSA-N 0 3 263.410 2.480 10 0 CEAEHN CCN(c1ccccc1C)S(=O)(=O)C[C@@H]1CCCCN1 ZINC000049630740 521500502 /nfs/dbraw/zinc/50/05/02/521500502.db2.gz LQAXVKYABVJPAZ-AWEZNQCLSA-N 0 3 296.436 2.293 10 0 CEAEHN CCCc1nc(N2CCO[C@H](CC)C2)sc1CN ZINC000054997382 521534261 /nfs/dbraw/zinc/53/42/61/521534261.db2.gz XTAPUMVLHOILBQ-SNVBAGLBSA-N 0 3 269.414 2.170 10 0 CEAEHN CCCn1cc([C@H](N)Cc2csc(C)n2)cn1 ZINC000055294775 521655647 /nfs/dbraw/zinc/65/56/47/521655647.db2.gz OFJITGRUKWJOHH-GFCCVEGCSA-N 0 3 250.371 2.301 10 0 CEAEHN CCCN(CCN(C)C)c1nc2c(s1)[C@@H](O)CCC2 ZINC000054928007 521659106 /nfs/dbraw/zinc/65/91/06/521659106.db2.gz NVEFPICSIKKTDH-LBPRGKRZSA-N 0 3 283.441 2.291 10 0 CEAEHN CCCN(Cc1ccnc(C(N)=S)c1)C(C)C ZINC000068751906 521691129 /nfs/dbraw/zinc/69/11/29/521691129.db2.gz WAVHREIJZVPGAC-UHFFFAOYSA-N 0 3 251.399 2.336 10 0 CEAEHN CCCN1C(=O)C[C@H](N)[C@H]1c1ccc(C)c(F)c1 ZINC000070293353 521699867 /nfs/dbraw/zinc/69/98/67/521699867.db2.gz PYAOLOBADWEMPL-GXTWGEPZSA-N 0 3 250.317 2.145 10 0 CEAEHN CN(C)CCN[C@H](CO)c1csc2ccccc12 ZINC000054465895 521792416 /nfs/dbraw/zinc/79/24/16/521792416.db2.gz SLABVVZXOIFGFM-CYBMUJFWSA-N 0 3 264.394 2.086 10 0 CEAEHN CC[C@H](C)[C@@H](C)NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051112894 521820374 /nfs/dbraw/zinc/82/03/74/521820374.db2.gz WSDCDJMVKLHXLW-JGVFFNPUSA-N 0 3 270.764 2.185 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1ccc(F)cc1C=O ZINC000061644962 521843995 /nfs/dbraw/zinc/84/39/95/521843995.db2.gz SWGGUSFXJNMBQI-ZDUSSCGKSA-N 0 3 250.317 2.169 10 0 CEAEHN CN(C)C[C@H]1CCCN1CC(=O)c1ccc2c(c1)CCC2 ZINC000061645673 521866245 /nfs/dbraw/zinc/86/62/45/521866245.db2.gz VSWGSOHJFGNQIE-QGZVFWFLSA-N 0 3 286.419 2.384 10 0 CEAEHN COCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000052808814 521938989 /nfs/dbraw/zinc/93/89/89/521938989.db2.gz WVNVISGPSQVDOE-KBPBESRZSA-N 0 3 296.798 2.367 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccccc1Br ZINC000061300196 521945778 /nfs/dbraw/zinc/94/57/78/521945778.db2.gz HGJGARLQFXQDOZ-UHFFFAOYSA-N 0 3 271.158 2.386 10 0 CEAEHN CCc1ccsc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000069132652 521993433 /nfs/dbraw/zinc/99/34/33/521993433.db2.gz KRCVNDURCUFVEC-UWVGGRQHSA-N 0 3 252.383 2.133 10 0 CEAEHN CNCc1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)on1 ZINC000052513708 522104236 /nfs/dbraw/zinc/10/42/36/522104236.db2.gz WYWJVPSYPBMEEI-DGCLKSJQSA-N 0 3 251.374 2.405 10 0 CEAEHN CCc1csc([C@@H]2CCCN(CCC(=O)OC)C2)n1 ZINC000157817404 522112525 /nfs/dbraw/zinc/11/25/25/522112525.db2.gz YPNUJEUWDLRVSQ-LLVKDONJSA-N 0 3 282.409 2.448 10 0 CEAEHN CNCc1ccc(N2CCC(C(C)(C)C)CC2)nn1 ZINC000051398465 522120810 /nfs/dbraw/zinc/12/08/10/522120810.db2.gz ZWQPCAVUDVWREP-UHFFFAOYSA-N 0 3 262.401 2.459 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2nc3cc(N)ccc3[nH]2)CC1 ZINC000055063492 522125758 /nfs/dbraw/zinc/12/57/58/522125758.db2.gz IBWVWKRPCQFTEW-GFCCVEGCSA-N 0 3 287.411 2.061 10 0 CEAEHN CNCc1ccoc1CN(C)Cc1csc(C)n1 ZINC000052505781 522140907 /nfs/dbraw/zinc/14/09/07/522140907.db2.gz SFMDGRYGIAVHMW-UHFFFAOYSA-N 0 3 265.382 2.396 10 0 CEAEHN CNCc1coc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000052573160 522148780 /nfs/dbraw/zinc/14/87/80/522148780.db2.gz OYEYWTRNKYBPDV-GJZGRUSLSA-N 0 3 264.369 2.142 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccccc1[C@H](C)O ZINC000049547471 522228418 /nfs/dbraw/zinc/22/84/18/522228418.db2.gz ISLBMGQMFUFLGA-MNOVXSKESA-N 0 3 250.342 2.067 10 0 CEAEHN CC[C@@H](C)N[C@@]1(C(N)=O)CCCc2sccc21 ZINC000061329947 522234248 /nfs/dbraw/zinc/23/42/48/522234248.db2.gz ODGDOADINUSIFM-RNCFNFMXSA-N 0 3 252.383 2.153 10 0 CEAEHN CN(C)c1ccc([C@@H](O)[C@H](N)c2ccccc2)cc1 ZINC000054682924 522245384 /nfs/dbraw/zinc/24/53/84/522245384.db2.gz ANBLNQIKZPXWPE-HZPDHXFCSA-N 0 3 256.349 2.486 10 0 CEAEHN Cc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[O-] ZINC000155443412 534623576 /nfs/dbraw/zinc/62/35/76/534623576.db2.gz QZOSPKCAEAEDDW-JSGCOSHPSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[O-] ZINC000155443412 534623583 /nfs/dbraw/zinc/62/35/83/534623583.db2.gz QZOSPKCAEAEDDW-JSGCOSHPSA-N 0 3 276.380 2.159 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(F)cc(F)c1F ZINC000061118893 522304000 /nfs/dbraw/zinc/30/40/00/522304000.db2.gz FDHGLPUUOCHVCY-KSBSHMNSSA-N 0 3 260.259 2.416 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCCC2)[C@@H]1COCCO1 ZINC000055299246 522372112 /nfs/dbraw/zinc/37/21/12/522372112.db2.gz FNFNBYJBUZXFPI-HOTGVXAUSA-N 0 3 261.365 2.241 10 0 CEAEHN CN[C@@H]1COc2cc(O[C@@H]3CCCC[C@@H]3O)ccc21 ZINC000062804289 522400474 /nfs/dbraw/zinc/40/04/74/522400474.db2.gz QLDCCDQGOIJWLY-HZSPNIEDSA-N 0 3 263.337 2.022 10 0 CEAEHN CCc1nc(NC(=O)[C@H](N)CC(C)C)sc1C ZINC000049184619 522400604 /nfs/dbraw/zinc/40/06/04/522400604.db2.gz HBNOWYOVIKHTAF-SECBINFHSA-N 0 3 255.387 2.326 10 0 CEAEHN C[NH2+][C@@](C)(C[C@@H](C)N1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641733 522417621 /nfs/dbraw/zinc/41/76/21/522417621.db2.gz RHISECNTFSPNPC-KMFMINBZSA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641733 522417630 /nfs/dbraw/zinc/41/76/30/522417630.db2.gz RHISECNTFSPNPC-KMFMINBZSA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641733 522417639 /nfs/dbraw/zinc/41/76/39/522417639.db2.gz RHISECNTFSPNPC-KMFMINBZSA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCC(=O)N(C)C(C)C ZINC000062746634 522447853 /nfs/dbraw/zinc/44/78/53/522447853.db2.gz DFCNFAZDJMTIIK-LLVKDONJSA-N 0 3 282.359 2.352 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCCO1 ZINC000062806518 522482122 /nfs/dbraw/zinc/48/21/22/522482122.db2.gz OOUNZWIUGGAINT-NVXWUHKLSA-N 0 3 288.391 2.425 10 0 CEAEHN CN[C@H](c1ccnn1C)c1ccc(Br)cc1 ZINC000069020284 522485672 /nfs/dbraw/zinc/48/56/72/522485672.db2.gz DJIOZPWYFMHASL-LBPRGKRZSA-N 0 3 280.169 2.491 10 0 CEAEHN CN[C@](C)(CCSCc1cccc(C)c1)C(N)=O ZINC000054966529 522515408 /nfs/dbraw/zinc/51/54/08/522515408.db2.gz ZLMXICWGGWJQAX-CQSZACIVSA-N 0 3 266.410 2.082 10 0 CEAEHN CCc1ncc(C(=O)N[C@H](CC(C)C)CN(C)C)s1 ZINC000068437547 522547551 /nfs/dbraw/zinc/54/75/51/522547551.db2.gz HLGMGWMFMINZJS-LLVKDONJSA-N 0 3 283.441 2.412 10 0 CEAEHN CN(CC1CC1)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710235 522633171 /nfs/dbraw/zinc/63/31/71/522633171.db2.gz CETZPVVJENVNDD-LBPRGKRZSA-N 0 3 258.287 2.446 10 0 CEAEHN COC1CCN(c2ncc(CNC(C)C)s2)CC1 ZINC000054903167 522708624 /nfs/dbraw/zinc/70/86/24/522708624.db2.gz ZECKVSBWXQVPDN-UHFFFAOYSA-N 0 3 269.414 2.256 10 0 CEAEHN CC[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1=O)C(C)C ZINC000049128566 522709854 /nfs/dbraw/zinc/70/98/54/522709854.db2.gz RNWOHMWKNJKKLV-UONOGXRCSA-N 0 3 274.364 2.343 10 0 CEAEHN COC(=O)CCOc1ccc(OC)cc1CNC(C)C ZINC000069316841 523105447 /nfs/dbraw/zinc/10/54/47/523105447.db2.gz LUEOAJONZDBCSQ-UHFFFAOYSA-N 0 3 281.352 2.135 10 0 CEAEHN CN(C[C@H]1CCCCO1)[C@@H]1CNCc2ccccc21 ZINC000069266177 523110296 /nfs/dbraw/zinc/11/02/96/523110296.db2.gz VLLQMFQVSNYWDY-GDBMZVCRSA-N 0 3 260.381 2.332 10 0 CEAEHN CCn1c2cccc(F)c2nc1[C@@H](N)CCOC ZINC000052785262 523272496 /nfs/dbraw/zinc/27/24/96/523272496.db2.gz KPONGDOMRZNHTK-JTQLQIEISA-N 0 3 251.305 2.232 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1nccn1CC ZINC000374210178 523316460 /nfs/dbraw/zinc/31/64/60/523316460.db2.gz TYWKVTUPERMVMB-GJZGRUSLSA-N 0 3 276.428 2.352 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1nc(C2CC2)c(CN)s1 ZINC000069181393 523346355 /nfs/dbraw/zinc/34/63/55/523346355.db2.gz HGNVDLLRTKUSQI-ONGXEEELSA-N 0 3 281.425 2.483 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1[C@@H]1Cc2ccccc2[C@@H]1N ZINC000048914788 523347500 /nfs/dbraw/zinc/34/75/00/523347500.db2.gz JRHVKTCUXHJXLW-YUDUHTQSSA-N 0 3 260.381 2.110 10 0 CEAEHN COCCCNC1=N[C@@H](c2ccccc2)CS1 ZINC000063001729 523372062 /nfs/dbraw/zinc/37/20/62/523372062.db2.gz JENUXIVCNQOLMR-GFCCVEGCSA-N 0 3 250.367 2.457 10 0 CEAEHN CN(Cc1ccccn1)Cc1nc(NN)ccc1Cl ZINC000061630974 523396767 /nfs/dbraw/zinc/39/67/67/523396767.db2.gz HHFZVILBHNQRDH-UHFFFAOYSA-N 0 3 277.759 2.048 10 0 CEAEHN CN(Cc1cccnc1C(=N)N)c1cccc(F)c1 ZINC000061658372 523421445 /nfs/dbraw/zinc/42/14/45/523421445.db2.gz ZUNVUZBDHSFXMN-UHFFFAOYSA-N 0 3 258.300 2.141 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2cc(F)c(F)c(F)c2)CCO1 ZINC000062709998 523466717 /nfs/dbraw/zinc/46/67/17/523466717.db2.gz DDIXAXDWRMOGMT-MFKMUULPSA-N 0 3 288.313 2.215 10 0 CEAEHN CC[C@@H]1COCCN1c1ncc([C@@H](C)NC)s1 ZINC000054904711 523503061 /nfs/dbraw/zinc/50/30/61/523503061.db2.gz IWQLVRNOPIZVEB-NXEZZACHSA-N 0 3 255.387 2.039 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(CNC)c(C)o1 ZINC000052570903 523507090 /nfs/dbraw/zinc/50/70/90/523507090.db2.gz ABCCAKXZNCJHDW-SMDDNHRTSA-N 0 3 266.385 2.307 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1Cc1cc(C)c(CNC)o1 ZINC000052571291 523517195 /nfs/dbraw/zinc/51/71/95/523517195.db2.gz SOBJLPNAAOGTKZ-CHWSQXEVSA-N 0 3 266.385 2.307 10 0 CEAEHN CC[C@@H]1CSC(N[C@H](CC(C)C)CN(C)C)=N1 ZINC000049559157 523520791 /nfs/dbraw/zinc/52/07/91/523520791.db2.gz PDTYFUISSKAAFU-VXGBXAGGSA-N 0 3 257.447 2.434 10 0 CEAEHN CN(Cc1cscn1)C[C@@](C)(N)c1ccccc1 ZINC000052883604 523538889 /nfs/dbraw/zinc/53/88/89/523538889.db2.gz JSJHLYGOKCITFS-CQSZACIVSA-N 0 3 261.394 2.449 10 0 CEAEHN CCn1ccnc1[C@@H](Cc1ccc(OC)c(OC)c1)NC ZINC000069497817 523554701 /nfs/dbraw/zinc/55/47/01/523554701.db2.gz FZFQMNVQEWJLKP-CYBMUJFWSA-N 0 3 289.379 2.423 10 0 CEAEHN COCCN(C)Cc1cc(CNC(C)C)c(C)o1 ZINC000052572807 523620505 /nfs/dbraw/zinc/62/05/05/523620505.db2.gz TUMVCSVXQDVOET-UHFFFAOYSA-N 0 3 254.374 2.164 10 0 CEAEHN CCn1nc(CN2CC[C@H](CCO)C2)c2ccccc21 ZINC000157560795 523676041 /nfs/dbraw/zinc/67/60/41/523676041.db2.gz RTOLWJQTMLGVIM-CYBMUJFWSA-N 0 3 273.380 2.261 10 0 CEAEHN COCCN(Cc1nc(NN)ccc1Cl)[C@@H](C)C1CC1 ZINC000061638426 523774597 /nfs/dbraw/zinc/77/45/97/523774597.db2.gz PDUUHMVGUNCNAF-JTQLQIEISA-N 0 3 298.818 2.268 10 0 CEAEHN COc1ccc(C)cc1CN(C)C[C@H](C)C(N)=S ZINC000050704075 523808678 /nfs/dbraw/zinc/80/86/78/523808678.db2.gz GSSHUFHJWKACRB-NSHDSACASA-N 0 3 266.410 2.358 10 0 CEAEHN CN1CCC[C@H](Nc2ccc(Cl)cc2C(N)=S)C1 ZINC000052858460 523845561 /nfs/dbraw/zinc/84/55/61/523845561.db2.gz ASSLCIKYJOEULE-JTQLQIEISA-N 0 3 283.828 2.480 10 0 CEAEHN COCCNCc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000062738642 523952201 /nfs/dbraw/zinc/95/22/01/523952201.db2.gz YSONUJGPZXUKRZ-UHFFFAOYSA-N 0 3 263.316 2.056 10 0 CEAEHN COCCNCc1ccc(OCCOC(C)C)cc1 ZINC000062729178 523953660 /nfs/dbraw/zinc/95/36/60/523953660.db2.gz XFRIDEFBBRNFHQ-UHFFFAOYSA-N 0 3 267.369 2.226 10 0 CEAEHN COCCNCc1cccc(OCc2cscn2)c1 ZINC000062731694 523954144 /nfs/dbraw/zinc/95/41/44/523954144.db2.gz PGGGHLROIPNFIG-UHFFFAOYSA-N 0 3 278.377 2.458 10 0 CEAEHN CC[C@H](C)N1CCN([C@H]2CNc3ccccc3C2)CC1 ZINC000055067311 523959266 /nfs/dbraw/zinc/95/92/66/523959266.db2.gz XTQVVGRXUMDJHC-GOEBONIOSA-N 0 3 273.424 2.439 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(CO)c(C)c2)CC1 ZINC000055068053 523960924 /nfs/dbraw/zinc/96/09/24/523960924.db2.gz IXTIRNTWQFIOPS-AWEZNQCLSA-N 0 3 262.397 2.408 10 0 CEAEHN COc1ccc(CN(C)CC2(CO)CCOCC2)cc1F ZINC000052199072 524002160 /nfs/dbraw/zinc/00/21/60/524002160.db2.gz DFDVABWCLYKKOF-UHFFFAOYSA-N 0 3 297.370 2.055 10 0 CEAEHN CCc1ccc(OCC[C@H](N)C(N)=O)c(C(C)(C)C)c1 ZINC000062546668 524007291 /nfs/dbraw/zinc/00/72/91/524007291.db2.gz AOCMRQIPRKWWSE-ZDUSSCGKSA-N 0 3 278.396 2.128 10 0 CEAEHN CCc1ccc([C@@H](CN)N(C)C[C@@H]2CCCCO2)o1 ZINC000051725772 524028581 /nfs/dbraw/zinc/02/85/81/524028581.db2.gz DHVSTPWDCCSWID-UONOGXRCSA-N 0 3 266.385 2.343 10 0 CEAEHN COc1ccc(CNC(C)(C)C)c(OC[C@H](C)C(N)=O)c1 ZINC000062733109 524068970 /nfs/dbraw/zinc/06/89/70/524068970.db2.gz OWXBRZDXXHSOTL-NSHDSACASA-N 0 3 294.395 2.084 10 0 CEAEHN CNC(=O)CCNC1c2ccccc2Cc2ccccc21 ZINC000061669882 524068964 /nfs/dbraw/zinc/06/89/64/524068964.db2.gz JWYYDTKXCUPBPZ-UHFFFAOYSA-N 0 3 280.371 2.406 10 0 CEAEHN CNC(=O)CCOc1ccc(OC)cc1CNC(C)(C)C ZINC000062727567 524069854 /nfs/dbraw/zinc/06/98/54/524069854.db2.gz RQTGKVIGXASAJB-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN COc1ccc(C[C@H](CN)C(=O)NC(C)(C)C)cc1C ZINC000050596598 524153742 /nfs/dbraw/zinc/15/37/42/524153742.db2.gz NOAPRFYFYGRKDG-CYBMUJFWSA-N 0 3 278.396 2.036 10 0 CEAEHN Cc1cccc(C(=O)CN2CCC[C@H]2CN(C)C)c1 ZINC000061645743 524159849 /nfs/dbraw/zinc/15/98/49/524159849.db2.gz XUYJDKPIZJLFIL-HNNXBMFYSA-N 0 3 260.381 2.204 10 0 CEAEHN COc1cccc([C@H](O)CN2CCN(CC(C)C)CC2)c1 ZINC000055080945 524165578 /nfs/dbraw/zinc/16/55/78/524165578.db2.gz MBULIKCPVXSHTL-QGZVFWFLSA-N 0 3 292.423 2.002 10 0 CEAEHN C[C@H]1CCC[C@@](CO)(NCc2cccc3c2OCO3)C1 ZINC000053116346 524172594 /nfs/dbraw/zinc/17/25/94/524172594.db2.gz WDBNGCZHIJWDLH-BLLLJJGKSA-N 0 3 277.364 2.446 10 0 CEAEHN Cc1ccc(C)c(OC[C@@](C)(NC(C)C)C(N)=O)c1C ZINC000045520298 524181336 /nfs/dbraw/zinc/18/13/36/524181336.db2.gz LPHFCOABKSZIOL-MRXNPFEDSA-N 0 3 278.396 2.233 10 0 CEAEHN Cc1ccc(C)c(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000068655933 524184702 /nfs/dbraw/zinc/18/47/02/524184702.db2.gz KVOIQQWNAIOPAI-SUMWQHHRSA-N 0 3 290.407 2.457 10 0 CEAEHN COc1ccc(Cl)cc1-n1nnnc1CNCC(C)C ZINC000054744658 524190125 /nfs/dbraw/zinc/19/01/25/524190125.db2.gz MZLQZBMNNXFGBD-UHFFFAOYSA-N 0 3 295.774 2.070 10 0 CEAEHN COc1ccc(Cl)cc1C1(O)CCN(C)CC1 ZINC000055192384 524198779 /nfs/dbraw/zinc/19/87/79/524198779.db2.gz PYHOBBAYRXMHPE-UHFFFAOYSA-N 0 3 255.745 2.262 10 0 CEAEHN COc1ccc(Cl)cc1[C@@]([O-])([C@H](C)[NH3+])C(F)(F)F ZINC000062784395 524254256 /nfs/dbraw/zinc/25/42/56/524254256.db2.gz ZQTSTTNCTGQJAO-WKEGUHRASA-N 0 3 283.677 2.446 10 0 CEAEHN C[C@@H]1CCC[C@H](SCC(=O)N2CCCNCC2)C1 ZINC000054694788 524413689 /nfs/dbraw/zinc/41/36/89/524413689.db2.gz PICLYFKGQGUQOH-OLZOCXBDSA-N 0 3 270.442 2.120 10 0 CEAEHN C[C@H](CNc1nc(Cl)nc(Cl)n1)N1CCCCC1 ZINC000061519028 524511726 /nfs/dbraw/zinc/51/17/26/524511726.db2.gz GNMSCKRVKCPRJK-MRVPVSSYSA-N 0 3 290.198 2.465 10 0 CEAEHN C[C@H]1CN(c2ncc(CNC3CC3)s2)CC(C)(C)O1 ZINC000054908058 524678428 /nfs/dbraw/zinc/67/84/28/524678428.db2.gz ZBWYNZWHXKTKTO-JTQLQIEISA-N 0 3 281.425 2.399 10 0 CEAEHN COc1ccccc1O[C@@H](C)C[C@](C)(NC(C)C)C(N)=O ZINC000068656621 524691365 /nfs/dbraw/zinc/69/13/65/524691365.db2.gz ACVYOLACYONBGH-LRDDRELGSA-N 0 3 294.395 2.095 10 0 CEAEHN Cc1cc(CN2CCOCC2(C)C)oc1CNC1CC1 ZINC000052546249 524700336 /nfs/dbraw/zinc/70/03/36/524700336.db2.gz KGHAWIDZSDUFFA-UHFFFAOYSA-N 0 3 278.396 2.451 10 0 CEAEHN Cc1cc(CN2CCOC[C@H]2C)oc1CNC(C)C ZINC000052476173 524700638 /nfs/dbraw/zinc/70/06/38/524700638.db2.gz CYCJEXGPHLNWSU-CYBMUJFWSA-N 0 3 266.385 2.307 10 0 CEAEHN COc1ccccc1SCC[C@@H](NC(C)C)C(N)=O ZINC000062601912 524708768 /nfs/dbraw/zinc/70/87/68/524708768.db2.gz VRANQOZAQVIUIT-LLVKDONJSA-N 0 3 282.409 2.029 10 0 CEAEHN Cc1ccc(Cl)cc1NS(=O)(=O)[C@@H]1CCCNC1 ZINC000049631629 524757658 /nfs/dbraw/zinc/75/76/58/524757658.db2.gz ZGOLVRJANIVGMU-LLVKDONJSA-N 0 3 288.800 2.142 10 0 CEAEHN Cc1cccc(OC[C@](NC(C)C)(C(N)=O)C2CC2)c1C ZINC000069197080 524764812 /nfs/dbraw/zinc/76/48/12/524764812.db2.gz WJQQBKHCJFKJIL-QGZVFWFLSA-N 0 3 290.407 2.314 10 0 CEAEHN C[C@@H](Cc1c(F)cccc1F)NCc1cncnc1 ZINC000054767951 524885888 /nfs/dbraw/zinc/88/58/88/524885888.db2.gz BADGIEKCKBWDPA-JTQLQIEISA-N 0 3 263.291 2.476 10 0 CEAEHN Cc1ccc(N(C)C[C@@](N)(CO)c2ccccc2)cc1 ZINC000070337861 524887166 /nfs/dbraw/zinc/88/71/66/524887166.db2.gz BVSGILDSYUPIIO-QGZVFWFLSA-N 0 3 270.376 2.278 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc3ncccc3c2)C[C@H](C)O1 ZINC000069502194 525056802 /nfs/dbraw/zinc/05/68/02/525056802.db2.gz NKGDAKMFODAJTQ-AHIWAGSCSA-N 0 3 285.391 2.344 10 0 CEAEHN C[C@@H]1CN(c2ncc(CNC3CC3)s2)CC(C)(C)O1 ZINC000054908057 525073711 /nfs/dbraw/zinc/07/37/11/525073711.db2.gz ZBWYNZWHXKTKTO-SNVBAGLBSA-N 0 3 281.425 2.399 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000069133486 525095405 /nfs/dbraw/zinc/09/54/05/525095405.db2.gz WNJUCSLFGHWXMJ-INOYMQOOSA-N 0 3 291.439 2.347 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc(Cl)s1 ZINC000068913238 525097269 /nfs/dbraw/zinc/09/72/69/525097269.db2.gz YLIRTBIMRGWQSD-HTQZYQBOSA-N 0 3 258.774 2.224 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000069133305 525098772 /nfs/dbraw/zinc/09/87/72/525098772.db2.gz CYXBAOMAJDNNPC-LBJZDRIZSA-N 0 3 276.424 2.412 10 0 CEAEHN COc1ccc([C@@H](N)C[C@@H]2CCCO2)c(OC)c1 ZINC000055232821 525189012 /nfs/dbraw/zinc/18/90/12/525189012.db2.gz BYOBOQMKNBESOR-AAEUAGOBSA-N 0 3 251.326 2.273 10 0 CEAEHN Cc1ccc(NC(=O)[C@H](C)NC[C@@H]2CCCO2)cc1 ZINC000070204882 525212411 /nfs/dbraw/zinc/21/24/11/525212411.db2.gz XLXRKLKTOGLUCE-JSGCOSHPSA-N 0 3 262.353 2.091 10 0 CEAEHN Cc1ccccc1O[C@H](C)C[C@](C)(NC(C)C)C(N)=O ZINC000068656366 525323568 /nfs/dbraw/zinc/32/35/68/525323568.db2.gz RSEQDBYOVFERSA-CJNGLKHVSA-N 0 3 278.396 2.394 10 0 CEAEHN Cc1ccc(O[C@H](C)C[C@](C)(NC(C)C)C(N)=O)cc1 ZINC000068653541 525470798 /nfs/dbraw/zinc/47/07/98/525470798.db2.gz NVUAGEMFTDEQGO-CJNGLKHVSA-N 0 3 278.396 2.394 10 0 CEAEHN Cc1cc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000050545817 525482059 /nfs/dbraw/zinc/48/20/59/525482059.db2.gz LBKLBLKGKJCTPE-TYNCELHUSA-N 0 3 266.360 2.243 10 0 CEAEHN CSCCN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000069427529 525513618 /nfs/dbraw/zinc/51/36/18/525513618.db2.gz HGIIANFVQOBDKX-LLVKDONJSA-N 0 3 250.367 2.047 10 0 CEAEHN C[C@@H]1Cc2ccccc2N1Cc1cccnc1C(=N)N ZINC000061657784 525534978 /nfs/dbraw/zinc/53/49/78/525534978.db2.gz SBZOJMVVLRXRLC-LLVKDONJSA-N 0 3 266.348 2.317 10 0 CEAEHN Cc1ccc(SC[C@@](NC2CC2)(C(N)=O)C2CC2)cc1 ZINC000069186130 525662531 /nfs/dbraw/zinc/66/25/31/525662531.db2.gz NBUKQBGTEVYJOV-INIZCTEOSA-N 0 3 290.432 2.473 10 0 CEAEHN CSC[C@H](C)CNCC(=O)Nc1c(F)cccc1F ZINC000069448132 525681655 /nfs/dbraw/zinc/68/16/55/525681655.db2.gz CVHKGLYPNGKYML-SECBINFHSA-N 0 3 288.363 2.492 10 0 CEAEHN CSC[C@H](C)CN[C@H]1COc2cc(O)ccc21 ZINC000069435927 525682790 /nfs/dbraw/zinc/68/27/90/525682790.db2.gz LCWQAPNGERIVAL-SKDRFNHKSA-N 0 3 253.367 2.414 10 0 CEAEHN Cc1c(N)cc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc1F ZINC000049551061 525818152 /nfs/dbraw/zinc/81/81/52/525818152.db2.gz HKXZFNAGCUJFPW-ZDUSSCGKSA-N 0 3 295.402 2.422 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(CCCn2ccnc2)CCN1 ZINC000068693764 525901564 /nfs/dbraw/zinc/90/15/64/525901564.db2.gz ZXDAPWULPPZUEJ-KRWDZBQOSA-N 0 3 284.407 2.094 10 0 CEAEHN CSc1ccc([C@@H](CN)N(C)Cc2cnn(C)c2)cc1 ZINC000048971841 526063224 /nfs/dbraw/zinc/06/32/24/526063224.db2.gz UYDVTMFGQGBUFK-OAHLLOKOSA-N 0 3 290.436 2.274 10 0 CEAEHN COc1cccc(O[C@H](C)C[C@](C)(NC(C)C)C(N)=O)c1 ZINC000068655591 526240491 /nfs/dbraw/zinc/24/04/91/526240491.db2.gz LMXFFIPUQPCVLD-WBMJQRKESA-N 0 3 294.395 2.095 10 0 CEAEHN O[C@H](CNC1CC1)c1ccc(Br)cc1F ZINC000055029286 526276317 /nfs/dbraw/zinc/27/63/17/526276317.db2.gz ODEATQIEEQEXDR-LLVKDONJSA-N 0 3 274.133 2.374 10 0 CEAEHN Cc1nn([C@H](C)C[C@@](C)(NC2CC2)C(N)=O)c(C)c1Cl ZINC000068649814 526306489 /nfs/dbraw/zinc/30/64/89/526306489.db2.gz XZIACOKJQIOCPO-XLKFXECMSA-N 0 3 298.818 2.100 10 0 CEAEHN O=C([O-])[C@H]1CCC[C@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000062753255 526325147 /nfs/dbraw/zinc/32/51/47/526325147.db2.gz OVEAGUBHBIESJN-LSDHHAIUSA-N 0 3 280.412 2.190 10 0 CEAEHN O=C([O-])[C@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000062753255 526325153 /nfs/dbraw/zinc/32/51/53/526325153.db2.gz OVEAGUBHBIESJN-LSDHHAIUSA-N 0 3 280.412 2.190 10 0 CEAEHN Cc1oc(CNC(C)(C)C)cc1CN1CCOCC1 ZINC000052377978 526775031 /nfs/dbraw/zinc/77/50/31/526775031.db2.gz IDVKQHOBHYVVCM-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN Cc1nc(N2CCN(C(C)C)CC2)sc1[C@H](C)N ZINC000054895645 526967517 /nfs/dbraw/zinc/96/75/17/526967517.db2.gz AJMNXNRXNRSSGC-JTQLQIEISA-N 0 3 268.430 2.002 10 0 CEAEHN NC(=S)C[C@@H](c1ccccc1)N1CCN(C2CC2)CC1 ZINC000055025077 527108604 /nfs/dbraw/zinc/10/86/04/527108604.db2.gz LRVQCDLVONCPSE-HNNXBMFYSA-N 0 3 289.448 2.184 10 0 CEAEHN NC[C@H](c1cc2ccccc2o1)N1CCn2ccnc2C1 ZINC000068811982 527230308 /nfs/dbraw/zinc/23/03/08/527230308.db2.gz XRRGSOTTXZBQKL-CYBMUJFWSA-N 0 3 282.347 2.145 10 0 CEAEHN NCc1cc(Cn2ccnc2-c2ccccc2)ccn1 ZINC000068751009 527249070 /nfs/dbraw/zinc/24/90/70/527249070.db2.gz CMOOCRZSQJBVRT-UHFFFAOYSA-N 0 3 264.332 2.452 10 0 CEAEHN NCc1ccnc(-c2cccc(Br)c2)n1 ZINC000054791095 527261088 /nfs/dbraw/zinc/26/10/88/527261088.db2.gz FSETZCPLFHZAML-UHFFFAOYSA-N 0 3 264.126 2.365 10 0 CEAEHN NCc1sc(N2CCCSCC2)nc1C1CC1 ZINC000069181716 527268516 /nfs/dbraw/zinc/26/85/16/527268516.db2.gz YDWZZTJKUDRDOU-UHFFFAOYSA-N 0 3 269.439 2.423 10 0 CEAEHN NN=c1cc(C(=O)Nc2nc3ccccc3s2)cc[nH]1 ZINC000051092499 527274003 /nfs/dbraw/zinc/27/40/03/527274003.db2.gz FRZFZKCHZUYBFH-UHFFFAOYSA-N 0 3 285.332 2.229 10 0 CEAEHN NN=c1[nH]cc(C(=O)NCCc2cccs2)cc1Cl ZINC000051096611 527287115 /nfs/dbraw/zinc/28/71/15/527287115.db2.gz WKRMPKRSQCLSIN-UHFFFAOYSA-N 0 3 296.783 2.055 10 0 CEAEHN Cn1cc(SCc2nc(NN)ccc2Cl)cn1 ZINC000061640249 527292140 /nfs/dbraw/zinc/29/21/40/527292140.db2.gz KWWMWGZYUQHUAA-UHFFFAOYSA-N 0 3 269.761 2.046 10 0 CEAEHN Cn1nccc1[C@H](N)Cc1c(F)cccc1Cl ZINC000069467939 527628518 /nfs/dbraw/zinc/62/85/18/527628518.db2.gz ILMZXHZIUXPTBQ-LLVKDONJSA-N 0 3 253.708 2.455 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC000178535883 529086857 /nfs/dbraw/zinc/08/68/57/529086857.db2.gz XMDYBQTXAXWNDY-AWEZNQCLSA-N 0 3 296.361 2.498 10 0 CEAEHN CCC(N)(CC)C(=O)N1CCCc2cc(OC)ccc21 ZINC000094245165 535182698 /nfs/dbraw/zinc/18/26/98/535182698.db2.gz QJIBELTYQKJJHM-UHFFFAOYSA-N 0 3 276.380 2.492 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cnsc2)=C[C@@H](N)C1 ZINC000675077786 567956117 /nfs/dbraw/zinc/95/61/17/567956117.db2.gz ISCVVXIILVLQOZ-LLVKDONJSA-N 0 3 281.381 2.105 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NCc1cn(C)cn1 ZINC000309750645 627818900 /nfs/dbraw/zinc/81/89/00/627818900.db2.gz ZFVRTWXLYHGTEY-AWEZNQCLSA-N 0 3 272.396 2.030 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cccc(Cl)n2)C1 ZINC000183830644 628192610 /nfs/dbraw/zinc/19/26/10/628192610.db2.gz LNYKDSBHCPCHRU-JTQLQIEISA-N 0 3 282.775 2.341 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NCc1cnccn1 ZINC000309875514 628223494 /nfs/dbraw/zinc/22/34/94/628223494.db2.gz HYTNYMNTRSUOHS-AWEZNQCLSA-N 0 3 270.380 2.087 10 0 CEAEHN COC(=O)[C@H]1CN(Cc2cccc(F)c2)C[C@H]1C ZINC000094996999 628888603 /nfs/dbraw/zinc/88/86/03/628888603.db2.gz IHTYNSKUGZLFBH-MFKMUULPSA-N 0 3 251.301 2.067 10 0 CEAEHN CCCc1cncc(SC[C@H]2CNCCO2)c1 ZINC000757208432 631836150 /nfs/dbraw/zinc/83/61/50/631836150.db2.gz GPDHYVRBCASBGF-GFCCVEGCSA-N 0 3 252.383 2.115 10 0 CEAEHN NC(=O)C[C@@H](N)c1cccc(OCc2ccccc2)c1 ZINC000044250474 638733343 /nfs/dbraw/zinc/73/33/43/638733343.db2.gz HVGUFHIVNAAOAM-OAHLLOKOSA-N 0 3 270.332 2.141 10 0 CEAEHN Cc1ccc(CCC(=O)N[C@@H]2CN3CCC2CC3)cc1 ZINC000222568600 639383510 /nfs/dbraw/zinc/38/35/10/639383510.db2.gz DHZOMBSZUMVFIT-MRXNPFEDSA-N 0 3 272.392 2.138 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)CC1CC1)c1ccc(F)c(F)c1 ZINC000312028134 639992217 /nfs/dbraw/zinc/99/22/17/639992217.db2.gz XCODPNLELZARDM-ISVAXAHUSA-N 0 3 268.307 2.269 10 0 CEAEHN CCCCC[C@@H](C)NC(=O)CN1CCC[C@H]1CCCO ZINC000250814172 641555228 /nfs/dbraw/zinc/55/52/28/641555228.db2.gz IKNDWEKAEKDWDZ-CABCVRRESA-N 0 3 284.444 2.308 10 0 CEAEHN Fc1ccc(Cc2noc([C@@H]3CCCN3)n2)c(F)c1 ZINC000083882263 642277438 /nfs/dbraw/zinc/27/74/38/642277438.db2.gz DOARBKYUGJSASE-NSHDSACASA-N 0 3 265.263 2.363 10 0 CEAEHN CN[C@@H]1CCCC[C@H]1S(=O)(=O)c1cccc(C)c1 ZINC000081986792 177913119 /nfs/dbraw/zinc/91/31/19/177913119.db2.gz WVIFCDIHPDXUBM-ZIAGYGMSSA-N 0 3 267.394 2.299 10 0 CEAEHN C[C@@](N)(CCO)c1ccc(Br)s1 ZINC000082554913 178089308 /nfs/dbraw/zinc/08/93/08/178089308.db2.gz OONAOAHAZMZFIY-MRVPVSSYSA-N 0 3 250.161 2.067 10 0 CEAEHN CC[C@@H]1CSC(NCCOCC(F)(F)F)=N1 ZINC000082627774 178140091 /nfs/dbraw/zinc/14/00/91/178140091.db2.gz CMRVAONASRQJDQ-SSDOTTSWSA-N 0 3 256.293 2.036 10 0 CEAEHN Cc1cc(Br)cn2c([C@H](C)N)cnc12 ZINC000082693423 178187226 /nfs/dbraw/zinc/18/72/26/178187226.db2.gz QPPCQXMJQXOVTD-ZETCQYMHSA-N 0 3 254.131 2.425 10 0 CEAEHN Cn1cc([C@H](N)c2ccccc2Br)cn1 ZINC000034957686 361799929 /nfs/dbraw/zinc/79/99/29/361799929.db2.gz JBNSSZDXQBPTAY-NSHDSACASA-N 0 3 266.142 2.231 10 0 CEAEHN NCc1cnn(-c2ccccc2Br)c1 ZINC000035778920 361823418 /nfs/dbraw/zinc/82/34/18/361823418.db2.gz APCCXSQELRMCPV-UHFFFAOYSA-N 0 3 252.115 2.094 10 0 CEAEHN CN[C@](C)(C[C@H](C)Sc1cccs1)C(N)=O ZINC000082797656 178301652 /nfs/dbraw/zinc/30/16/52/178301652.db2.gz MCYJHPBGMLKWIS-GZMMTYOYSA-N 0 3 258.412 2.082 10 0 CEAEHN Cc1ccc(S(=O)(=O)C[C@@H]2CCCCN2)c(C)c1 ZINC000083309109 178380118 /nfs/dbraw/zinc/38/01/18/178380118.db2.gz WORLPWBQMLQFPS-ZDUSSCGKSA-N 0 3 267.394 2.219 10 0 CEAEHN C[C@@H]1CO[C@@H](c2ccccc2Br)CN1 ZINC000036673408 361850068 /nfs/dbraw/zinc/85/00/68/361850068.db2.gz HIMIAVYXAVUXDB-LDYMZIIASA-N 0 3 256.143 2.499 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NC(=O)C1(N)CCCC1 ZINC000037616404 361912770 /nfs/dbraw/zinc/91/27/70/361912770.db2.gz PBVMEMSCPIJSGN-GFCCVEGCSA-N 0 3 276.380 2.452 10 0 CEAEHN Cc1ccccc1CN[C@H](C)C(=O)N1CCCCC1 ZINC000037853390 361955709 /nfs/dbraw/zinc/95/57/09/361955709.db2.gz ZQRAMSBZQRJUTM-CQSZACIVSA-N 0 3 260.381 2.486 10 0 CEAEHN N[C@H]1C[C@]12CNc1ccc(Br)c(Cl)c12 ZINC000725247695 539192736 /nfs/dbraw/zinc/19/27/36/539192736.db2.gz UVCTXCZXPHUPRR-XVKPBYJWSA-N 0 3 273.561 2.497 10 0 CEAEHN Cn1ccc(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000037560893 343428010 /nfs/dbraw/zinc/42/80/10/343428010.db2.gz FUMJAZGDQSPJGB-AWEZNQCLSA-N 0 3 256.353 2.107 10 0 CEAEHN C[C@H](O)CN1CCN(CC(C)(C)c2ccccc2)C[C@@H]1C ZINC000245851991 539313050 /nfs/dbraw/zinc/31/30/50/539313050.db2.gz MONJIIYXEASIQT-HOTGVXAUSA-N 0 3 290.451 2.351 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2cccc(OC)c2)C1 ZINC000148280119 539315172 /nfs/dbraw/zinc/31/51/72/539315172.db2.gz GGTOPGJIBPSWIO-CZUORRHYSA-N 0 3 278.396 2.067 10 0 CEAEHN Cn1c2ccccc2nc1-c1cccc(N2CCNCC2)n1 ZINC000116455773 344286621 /nfs/dbraw/zinc/28/66/21/344286621.db2.gz YSBGGTARBYNPLP-UHFFFAOYSA-N 0 3 293.374 2.045 10 0 CEAEHN OCCN[C@@H]1CCCc2sc(Br)cc21 ZINC000132258851 344362685 /nfs/dbraw/zinc/36/26/85/344362685.db2.gz POAXXVGBSVOZTG-MRVPVSSYSA-N 0 3 276.199 2.470 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(SC)cc2)C1 ZINC000134437114 344374005 /nfs/dbraw/zinc/37/40/05/344374005.db2.gz KKUQPQSRWLGPQA-AWEZNQCLSA-N 0 3 280.437 2.219 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(SC)cc2)C1 ZINC000134437090 344374254 /nfs/dbraw/zinc/37/42/54/344374254.db2.gz KKUQPQSRWLGPQA-CQSZACIVSA-N 0 3 280.437 2.219 10 0 CEAEHN CCN1CCO[C@@H](CNCc2c(C)cc(C)cc2C)C1 ZINC000134439672 344374362 /nfs/dbraw/zinc/37/43/62/344374362.db2.gz RUYJPVZLXKYQRA-INIZCTEOSA-N 0 3 276.424 2.422 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(Cl)c(F)c2)C1 ZINC000134437980 344374437 /nfs/dbraw/zinc/37/44/37/344374437.db2.gz CPTFKORJQDONRM-GFCCVEGCSA-N 0 3 286.778 2.289 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCN2C)o1 ZINC000139395796 344393442 /nfs/dbraw/zinc/39/34/42/344393442.db2.gz OQYWSFDRPWFGCS-VXGBXAGGSA-N 0 3 265.357 2.042 10 0 CEAEHN C[C@@H](CN1c2ccc(N)cc2CCC1=O)N1CCCC1 ZINC000167673957 344479223 /nfs/dbraw/zinc/47/92/23/344479223.db2.gz RBAHWVNJIMAJCP-LBPRGKRZSA-N 0 3 273.380 2.032 10 0 CEAEHN Cc1ccc(CCNC(=O)N2CC[C@H](N(C)C)C2)c(C)c1 ZINC000170834513 344491288 /nfs/dbraw/zinc/49/12/88/344491288.db2.gz JQEOKLDCEXAYNO-INIZCTEOSA-N 0 3 289.423 2.191 10 0 CEAEHN Cn1ncc(Br)c1[C@H](N)[C@H]1CC1(C)C ZINC000236088468 344593951 /nfs/dbraw/zinc/59/39/51/344593951.db2.gz VWXQWLCDECFFOX-HTRCEHHLSA-N 0 3 258.163 2.229 10 0 CEAEHN Cn1ncc(Br)c1[C@@H](N)[C@@H]1CC1(C)C ZINC000236084976 344594018 /nfs/dbraw/zinc/59/40/18/344594018.db2.gz VWXQWLCDECFFOX-XPUUQOCRSA-N 0 3 258.163 2.229 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H](C)C(C)(C)C)C1 ZINC000246537229 344616993 /nfs/dbraw/zinc/61/69/93/344616993.db2.gz HHZZBVDKICDPAD-NEPJUHHUSA-N 0 3 255.406 2.205 10 0 CEAEHN N[C@H](CF)c1ccccc1I ZINC000238685621 344607662 /nfs/dbraw/zinc/60/76/62/344607662.db2.gz UCDHVGQEIBTLMN-MRVPVSSYSA-N 0 3 265.069 2.261 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000252951501 344642263 /nfs/dbraw/zinc/64/22/63/344642263.db2.gz DYFXEHBOCRNWGV-YPMHNXCESA-N 0 3 284.350 2.336 10 0 CEAEHN Cc1nnsc1CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000311588658 344734858 /nfs/dbraw/zinc/73/48/58/344734858.db2.gz ZLDPSQOYZFJVLD-JHJVBQTASA-N 0 3 281.425 2.362 10 0 CEAEHN C[C@H]1C[C@H](N2CCNC2=O)CCN1Cc1ccccc1 ZINC000306595377 344715326 /nfs/dbraw/zinc/71/53/26/344715326.db2.gz KVEFTJDRGLOBEJ-DZGCQCFKSA-N 0 3 273.380 2.065 10 0 CEAEHN CN[C@H](C[S@@](=O)C(C)C)c1ccc2c(c1)OCCCO2 ZINC000084042909 178777813 /nfs/dbraw/zinc/77/78/13/178777813.db2.gz ZYXOKKQIIJQTDS-XCLFUZPHSA-N 0 3 297.420 2.266 10 0 CEAEHN CCc1ccccc1CN1CCC[C@H](NC2CC2)C1=O ZINC000084208661 178825748 /nfs/dbraw/zinc/82/57/48/178825748.db2.gz UWVMVTNWTFSAGI-INIZCTEOSA-N 0 3 272.392 2.492 10 0 CEAEHN CN[C@H](Cc1ncnn1CC(C)C)c1cccnc1C ZINC000097278224 185577510 /nfs/dbraw/zinc/57/75/10/185577510.db2.gz NQYVPIAOECMFIV-CQSZACIVSA-N 0 3 273.384 2.141 10 0 CEAEHN CCc1ccc(C[C@H](N)c2cc(C)nnc2C)nc1 ZINC000097313586 185584402 /nfs/dbraw/zinc/58/44/02/185584402.db2.gz KAIZFVZTOCUXNG-HNNXBMFYSA-N 0 3 256.353 2.293 10 0 CEAEHN CN1CCC(N2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000075321662 136491573 /nfs/dbraw/zinc/49/15/73/136491573.db2.gz CHTFFADYGZTWHH-UHFFFAOYSA-N 0 3 280.755 2.160 10 0 CEAEHN Cc1cnc([C@@H](N)[C@H]2CCOC3(CCSCC3)C2)cn1 ZINC000097340558 185586872 /nfs/dbraw/zinc/58/68/72/185586872.db2.gz HFYRIXLKJKJENF-JSGCOSHPSA-N 0 3 293.436 2.477 10 0 CEAEHN C[C@H](O)[C@H](C)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000094654599 136514311 /nfs/dbraw/zinc/51/43/11/136514311.db2.gz WDJOADZEHMXJNP-RYUDHWBXSA-N 0 3 268.788 2.231 10 0 CEAEHN CCN[C@](CO)(COCC(F)(F)F)c1ccccc1 ZINC000085282788 179000624 /nfs/dbraw/zinc/00/06/24/179000624.db2.gz BZJUXTNZTAZTEI-GFCCVEGCSA-N 0 3 277.286 2.063 10 0 CEAEHN CC[C@H]1CN[C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085505231 179085008 /nfs/dbraw/zinc/08/50/08/179085008.db2.gz XNIYCOAWKJYXFR-HOTGVXAUSA-N 0 3 282.391 2.402 10 0 CEAEHN CC(=O)c1c(F)cccc1N1CC[C@@H](N(C)C)C1 ZINC000062965985 362735513 /nfs/dbraw/zinc/73/55/13/362735513.db2.gz WFPUQCSLDJZMBA-LLVKDONJSA-N 0 3 250.317 2.169 10 0 CEAEHN C[C@H](N)c1nc(CNCCC(F)(F)F)cs1 ZINC000085550429 179093057 /nfs/dbraw/zinc/09/30/57/179093057.db2.gz BWIFZKWGHHRQGJ-LURJTMIESA-N 0 3 253.293 2.205 10 0 CEAEHN Cc1ncc(CN[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 ZINC000085636574 179109754 /nfs/dbraw/zinc/10/97/54/179109754.db2.gz LQEVHUWJWRULQN-SRVKXCTJSA-N 0 3 252.383 2.355 10 0 CEAEHN Cc1cc(CNC(C)(C)C(N)=O)ccc1Br ZINC000085706807 179121694 /nfs/dbraw/zinc/12/16/94/179121694.db2.gz AASJLNQROJDJII-UHFFFAOYSA-N 0 3 285.185 2.111 10 0 CEAEHN CCc1ncc(CNC[C@@H]2CCCC[C@@H]2O)s1 ZINC000085976171 179207730 /nfs/dbraw/zinc/20/77/30/179207730.db2.gz PAEGNJSPUNHBJG-JQWIXIFHSA-N 0 3 254.399 2.346 10 0 CEAEHN C[C@H]1CN(Cc2nc(NN)ccc2Cl)C[C@H]1C ZINC000086012116 179214575 /nfs/dbraw/zinc/21/45/75/179214575.db2.gz OFHQANUGDCXTFJ-DTORHVGOSA-N 0 3 254.765 2.108 10 0 CEAEHN O=C(CNC[C@H]1CCCC[C@@H]1O)Nc1cccc(Cl)c1 ZINC000085985785 179211469 /nfs/dbraw/zinc/21/14/69/179211469.db2.gz HVMICDOZFNZCSY-RISCZKNCSA-N 0 3 296.798 2.419 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000086020332 179217837 /nfs/dbraw/zinc/21/78/37/179217837.db2.gz SYLYDXMIMIFCAT-HOTGVXAUSA-N 0 3 293.432 2.261 10 0 CEAEHN CCN[C@@H](c1sccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022262 179218562 /nfs/dbraw/zinc/21/85/62/179218562.db2.gz IHSHNEAJCFPUBB-GHMZBOCLSA-N 0 3 273.423 2.142 10 0 CEAEHN CCc1ccc(CC)c([C@H](N)[C@H]2CCS(=O)(=O)C2)c1 ZINC000086022895 179218571 /nfs/dbraw/zinc/21/85/71/179218571.db2.gz AKHPKCVPLBNPMQ-DZGCQCFKSA-N 0 3 281.421 2.246 10 0 CEAEHN CCCN[C@H](c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086022391 179218760 /nfs/dbraw/zinc/21/87/60/179218760.db2.gz HUSPGDURVDVXQR-JSGCOSHPSA-N 0 3 285.409 2.372 10 0 CEAEHN CCn1cc(N2CCN[C@@](C)(c3ccccc3)C2)cn1 ZINC000086127907 179235389 /nfs/dbraw/zinc/23/53/89/179235389.db2.gz GLYGIKHTWKCUNX-MRXNPFEDSA-N 0 3 270.380 2.228 10 0 CEAEHN CC(C)(C)NCC(=O)Nc1ncccc1Br ZINC000086137864 179236256 /nfs/dbraw/zinc/23/62/56/179236256.db2.gz PBYQUOAKLOJUKO-UHFFFAOYSA-N 0 3 286.173 2.171 10 0 CEAEHN CNc1ccnc(Cn2cc(Br)cn2)c1 ZINC000086134785 179236607 /nfs/dbraw/zinc/23/66/07/179236607.db2.gz POORUGDOWHFIHZ-UHFFFAOYSA-N 0 3 267.130 2.131 10 0 CEAEHN C[C@H]1[C@H](NC(=O)c2c[nH]c(=NN)c(Cl)c2)CC[C@@H]1C ZINC000086082071 179228008 /nfs/dbraw/zinc/22/80/08/179228008.db2.gz CJOHPGHSPWGAKR-VAOFZXAKSA-N 0 3 282.775 2.185 10 0 CEAEHN Cc1cc(CN2CCN[C@@](C)(c3ccccc3)C2)no1 ZINC000086146034 179238729 /nfs/dbraw/zinc/23/87/29/179238729.db2.gz ICGIJYNPPCFEGN-MRXNPFEDSA-N 0 3 271.364 2.304 10 0 CEAEHN CCn1cc(N2C[C@@H](C)NC[C@@H]2c2ccccc2)cn1 ZINC000086154283 179241661 /nfs/dbraw/zinc/24/16/61/179241661.db2.gz PLKZCGSWVTVTSK-CZUORRHYSA-N 0 3 270.380 2.442 10 0 CEAEHN O=C1NCCC[C@H]1N[C@@H]1CCc2cc(Cl)ccc21 ZINC000129752680 365892280 /nfs/dbraw/zinc/89/22/80/365892280.db2.gz AQKODDVFCQQVLK-CHWSQXEVSA-N 0 3 264.756 2.196 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc2ccccc2n1 ZINC000086317433 179270147 /nfs/dbraw/zinc/27/01/47/179270147.db2.gz YWVVSAWSEIZGHV-DYVFJYSZSA-N 0 3 281.359 2.388 10 0 CEAEHN CC(C)N1CCO[C@H](CN)[C@@H]1c1ccc2ccccc2n1 ZINC000086317397 179270294 /nfs/dbraw/zinc/27/02/94/179270294.db2.gz PNGPSQHCZIPTGK-SJORKVTESA-N 0 3 285.391 2.344 10 0 CEAEHN COC(=O)c1cccnc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000336835015 365903729 /nfs/dbraw/zinc/90/37/29/365903729.db2.gz SZQQPPUZPLRINS-STQMWFEESA-N 0 3 274.364 2.490 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@H](CC)CN1 ZINC000086447290 179295987 /nfs/dbraw/zinc/29/59/87/179295987.db2.gz DLYRDPVVYBKVBX-CHWSQXEVSA-N 0 3 290.363 2.018 10 0 CEAEHN CC[C@H](C)N1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086443960 179293632 /nfs/dbraw/zinc/29/36/32/179293632.db2.gz OQCKUHCLQXLMBQ-RYUDHWBXSA-N 0 3 294.468 2.400 10 0 CEAEHN CC[C@@H](C)N1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086443959 179293694 /nfs/dbraw/zinc/29/36/94/179293694.db2.gz OQCKUHCLQXLMBQ-NEPJUHHUSA-N 0 3 294.468 2.400 10 0 CEAEHN CN[C@H]1CCCc2sc(N3CCOC(C)(C)C3)nc21 ZINC000086442916 179293776 /nfs/dbraw/zinc/29/37/76/179293776.db2.gz LOFQIECSVVOIFJ-JTQLQIEISA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cccc(N(C)C)c2)[C@@H](CC)CN1 ZINC000086446368 179294629 /nfs/dbraw/zinc/29/46/29/179294629.db2.gz LQQAAHDXYRUFBR-GJZGRUSLSA-N 0 3 289.423 2.355 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccccc2F)[C@H](CC)CN1 ZINC000086447264 179295555 /nfs/dbraw/zinc/29/55/55/179295555.db2.gz IABHTNPBBFOBCN-VXGBXAGGSA-N 0 3 264.344 2.428 10 0 CEAEHN C[C@@]1(c2nc([C@H]3Cc4ccccc43)no2)CCCN1 ZINC000086486595 179302019 /nfs/dbraw/zinc/30/20/19/179302019.db2.gz LYWHRNMTZFRKSK-WFASDCNBSA-N 0 3 255.321 2.356 10 0 CEAEHN CN[C@H](Cc1ccccc1Br)C(OC)OC ZINC000086452270 179296194 /nfs/dbraw/zinc/29/61/94/179296194.db2.gz LVQNNGCAOFUJFI-LLVKDONJSA-N 0 3 288.185 2.199 10 0 CEAEHN COC(OC)[C@H](N)Cc1ccc(Br)cc1F ZINC000086451658 179296227 /nfs/dbraw/zinc/29/62/27/179296227.db2.gz QIONOEYPQXSSIV-SNVBAGLBSA-N 0 3 292.148 2.077 10 0 CEAEHN CN[C@@H](Cc1ccc(Br)cc1)C(OC)OC ZINC000086452126 179296570 /nfs/dbraw/zinc/29/65/70/179296570.db2.gz HPKBTUOTAZHJBI-NSHDSACASA-N 0 3 288.185 2.199 10 0 CEAEHN CN[C@@H](COC)c1cc(F)cc(Br)c1 ZINC000086526434 179305790 /nfs/dbraw/zinc/30/57/90/179305790.db2.gz QQTJYSNEKTUHAA-JTQLQIEISA-N 0 3 262.122 2.495 10 0 CEAEHN CCCn1cc(Cl)cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000086467723 179298095 /nfs/dbraw/zinc/29/80/95/179298095.db2.gz VWSKIZRLTYMNTR-MNOVXSKESA-N 0 3 283.803 2.374 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCOCC2(C)C)cc1Cl ZINC000086586609 179309809 /nfs/dbraw/zinc/30/98/09/179309809.db2.gz YFAYFGIKOPIQHG-CYBMUJFWSA-N 0 3 298.814 2.459 10 0 CEAEHN CN1CCC(Oc2nc(Cl)ncc2Cl)CC1 ZINC000086621740 179311676 /nfs/dbraw/zinc/31/16/76/179311676.db2.gz BSDFZWWXCDUWQO-UHFFFAOYSA-N 0 3 262.140 2.256 10 0 CEAEHN COC[C@H](N[C@H]1COc2cc(O)ccc21)C(C)C ZINC000086682588 179319936 /nfs/dbraw/zinc/31/99/36/179319936.db2.gz FRCCVFQOYZAUBA-STQMWFEESA-N 0 3 251.326 2.086 10 0 CEAEHN CN(C)C[C@H]1CCCN1Cc1cnc(Cl)s1 ZINC000086776826 179329044 /nfs/dbraw/zinc/32/90/44/179329044.db2.gz OLWRWUSKRCCICE-SECBINFHSA-N 0 3 259.806 2.323 10 0 CEAEHN CCN[C@]1(c2nc(C)cs2)CCCN(C)CC1 ZINC000086833659 179350409 /nfs/dbraw/zinc/35/04/09/179350409.db2.gz UOHVRMQCHOBFPB-CYBMUJFWSA-N 0 3 253.415 2.372 10 0 CEAEHN CCCN1CCC[C@@](CC(=O)[O-])([NH+]2CCCC2)CC1 ZINC000086868477 179360393 /nfs/dbraw/zinc/36/03/93/179360393.db2.gz KRHYFUIBPXZRBK-OAHLLOKOSA-N 0 3 268.401 2.192 10 0 CEAEHN C[C@H](NCCc1nncn1C)c1ccc(Cl)s1 ZINC000104060740 185888770 /nfs/dbraw/zinc/88/87/70/185888770.db2.gz SYOFMKPJWHGCDR-QMMMGPOBSA-N 0 3 270.789 2.423 10 0 CEAEHN CCC(O)(CC)CNCC(=O)Nc1ccc(C)cc1 ZINC000087028318 179381680 /nfs/dbraw/zinc/38/16/80/179381680.db2.gz AXDGDUNRFOSKNB-UHFFFAOYSA-N 0 3 264.369 2.074 10 0 CEAEHN CCCN1C(=O)CC[C@H](N)[C@H]1c1ccc(OC)c(F)c1 ZINC000086995167 179376092 /nfs/dbraw/zinc/37/60/92/179376092.db2.gz RZPUSZKNRLRIDG-SWLSCSKDSA-N 0 3 280.343 2.235 10 0 CEAEHN CC[C@]1(C)CNC[C@@H](c2ccc3c(c2)OCCO3)O1 ZINC000087006688 179378307 /nfs/dbraw/zinc/37/83/07/179378307.db2.gz SGUVUAKIJCEZJJ-LSDHHAIUSA-N 0 3 263.337 2.287 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN([C@H]2C=CCCC2)C1 ZINC000066497711 362870714 /nfs/dbraw/zinc/87/07/14/362870714.db2.gz CATQJHXFWCETAQ-KGLIPLIRSA-N 0 3 250.386 2.476 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)NCC1(O)CCC(C)CC1 ZINC000087061907 179389491 /nfs/dbraw/zinc/38/94/91/179389491.db2.gz XGLQNOZWCJOWCQ-UYJPIKCFSA-N 0 3 284.444 2.211 10 0 CEAEHN C[C@H]1CCC[C@@](O)(CNCC(=O)Nc2ccc(F)cc2)C1 ZINC000087064336 179390253 /nfs/dbraw/zinc/39/02/53/179390253.db2.gz OAMHVGVOMKUPCK-LRDDRELGSA-N 0 3 294.370 2.295 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2c(OC)cc(OC)cc2OC)O1 ZINC000087090290 179394035 /nfs/dbraw/zinc/39/40/35/179394035.db2.gz NTEWABMSCCUHBF-QMTHXVAHSA-N 0 3 281.352 2.152 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)[C@@H]1CCCO1 ZINC000248632886 539638873 /nfs/dbraw/zinc/63/88/73/539638873.db2.gz WXXDMGAQJIQCAE-ZSAUSMIDSA-N 0 3 282.428 2.322 10 0 CEAEHN CC(C)(C)OC(=O)Nc1cccc([C@H]2CNCCN2)c1 ZINC000616628932 348540011 /nfs/dbraw/zinc/54/00/11/348540011.db2.gz GLQLUBJDCWLAFC-CYBMUJFWSA-N 0 3 277.368 2.268 10 0 CEAEHN c1n[nH]cc1[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000616650617 348547706 /nfs/dbraw/zinc/54/77/06/348547706.db2.gz CAZVYZOENHNEMQ-OAHLLOKOSA-N 0 3 257.337 2.373 10 0 CEAEHN CCC1CCC(c2noc(C[C@H](N)COC)n2)CC1 ZINC000087939369 179527718 /nfs/dbraw/zinc/52/77/18/179527718.db2.gz ORTTVIRMFLXSPZ-MCIGGMRASA-N 0 3 267.373 2.270 10 0 CEAEHN CC1(C(=O)N2CC[C@H](c3cccc(F)c3)[C@@H](N)C2)CC1 ZINC000616569820 348523451 /nfs/dbraw/zinc/52/34/51/348523451.db2.gz KSUKZZVUXBNAEG-KGLIPLIRSA-N 0 3 276.355 2.269 10 0 CEAEHN NC1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000088130808 179553381 /nfs/dbraw/zinc/55/33/81/179553381.db2.gz OZSOVOLZCKXSTA-UHFFFAOYSA-N 0 3 273.380 2.497 10 0 CEAEHN c1cn([C@H]2CCN(Cc3ccccc3)CCO2)cn1 ZINC000616662958 348553988 /nfs/dbraw/zinc/55/39/88/348553988.db2.gz MQHFWZDOJZVLKL-OAHLLOKOSA-N 0 3 257.337 2.304 10 0 CEAEHN CCN1CCO[C@H](CCNC(=O)OC(C)(C)C)CC1 ZINC000616687262 348561022 /nfs/dbraw/zinc/56/10/22/348561022.db2.gz QZELALBIGLBSRF-GFCCVEGCSA-N 0 3 272.389 2.012 10 0 CEAEHN Cc1ccoc1C(=O)N1CCNCC12CCCCC2 ZINC000088396042 179590981 /nfs/dbraw/zinc/59/09/81/179590981.db2.gz OUJODFILSMPFDV-UHFFFAOYSA-N 0 3 262.353 2.336 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC000248890558 539653668 /nfs/dbraw/zinc/65/36/68/539653668.db2.gz WAFMNQPDAWLROW-WCQYABFASA-N 0 3 291.395 2.401 10 0 CEAEHN COCc1cc(C(=O)Nc2ccccc2[C@H](C)N)no1 ZINC000090253524 179940671 /nfs/dbraw/zinc/94/06/71/179940671.db2.gz SNWAKHRAMMRBKM-VIFPVBQESA-N 0 3 275.308 2.093 10 0 CEAEHN CCCN[C@@H]1COC[C@H]1c1nc(CC(C)(C)C)no1 ZINC000090528737 179998455 /nfs/dbraw/zinc/99/84/55/179998455.db2.gz IGOHCFMKIBRLOB-GHMZBOCLSA-N 0 3 267.373 2.140 10 0 CEAEHN C[C@]1(c2nc(-c3ccc(Cl)cc3)no2)COC[C@@H]1N ZINC000090573119 180007251 /nfs/dbraw/zinc/00/72/51/180007251.db2.gz BYWCLPGYUDPPHL-GWCFXTLKSA-N 0 3 279.727 2.005 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc3sccc3c2)COC[C@@H]1N ZINC000090586461 180009535 /nfs/dbraw/zinc/00/95/35/180009535.db2.gz YTXIYCMVIRAXCW-GXTWGEPZSA-N 0 3 276.361 2.204 10 0 CEAEHN CC[C@H](C)Oc1cccc(NC(=O)[C@@]2(C)COC[C@@H]2N)c1 ZINC000090602830 180010954 /nfs/dbraw/zinc/01/09/54/180010954.db2.gz LHZDJROULUXRTG-PJODQICGSA-N 0 3 292.379 2.166 10 0 CEAEHN CCCC1CCC(NCc2cn(CCCO)nn2)CC1 ZINC000090638652 180017172 /nfs/dbraw/zinc/01/71/72/180017172.db2.gz KKXZCWVFPGRZQO-UHFFFAOYSA-N 0 3 280.416 2.109 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)C1CCCCC1 ZINC000090699766 180027805 /nfs/dbraw/zinc/02/78/05/180027805.db2.gz ZZGMQCZPXSRHSN-CQSZACIVSA-N 0 3 284.469 2.462 10 0 CEAEHN Cc1ccncc1[C@@H](N)[C@H]1COc2ccccc2O1 ZINC000090710177 180028051 /nfs/dbraw/zinc/02/80/51/180028051.db2.gz DRLRPVWTCOLLDA-HUUCEWRRSA-N 0 3 256.305 2.230 10 0 CEAEHN CCOc1ncnc(N2CCNCc3ccccc32)c1C ZINC000090789597 180041766 /nfs/dbraw/zinc/04/17/66/180041766.db2.gz IMVLVGRIKYEFRR-UHFFFAOYSA-N 0 3 284.363 2.425 10 0 CEAEHN CCOc1ncnc(NC[C@H]2CCCN2CC)c1C ZINC000090790669 180041840 /nfs/dbraw/zinc/04/18/40/180041840.db2.gz BTELDDNDDAJMGV-GFCCVEGCSA-N 0 3 264.373 2.080 10 0 CEAEHN COc1c(CNC[C@@H]2CCCC23CC3)c(C)nn1C ZINC000623824955 350118281 /nfs/dbraw/zinc/11/82/81/350118281.db2.gz TVLLWFBXAYFBNL-LBPRGKRZSA-N 0 3 263.385 2.407 10 0 CEAEHN CC(=O)C1CCN(C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090874990 180051278 /nfs/dbraw/zinc/05/12/78/180051278.db2.gz NUMDDDFQYAJWOR-HNNXBMFYSA-N 0 3 259.349 2.291 10 0 CEAEHN OC[C@@H](NC[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892759 180054878 /nfs/dbraw/zinc/05/48/78/180054878.db2.gz JMAMEOCRSIRQRV-JKSUJKDBSA-N 0 3 287.334 2.452 10 0 CEAEHN CCNCc1ccnn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895610 180056229 /nfs/dbraw/zinc/05/62/29/180056229.db2.gz FZEMJONZVDDRES-CQSZACIVSA-N 0 3 275.327 2.135 10 0 CEAEHN OC[C@H]1CCCN1C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090900973 180058723 /nfs/dbraw/zinc/05/87/23/180058723.db2.gz UDKBYYUYLPMZDM-CHWSQXEVSA-N 0 3 267.756 2.100 10 0 CEAEHN Cc1ccc2c(c1)C[C@H](CN1CCC(CO)CC1)O2 ZINC000090900917 180059146 /nfs/dbraw/zinc/05/91/46/180059146.db2.gz SQCGEOJBLXUOQG-OAHLLOKOSA-N 0 3 261.365 2.003 10 0 CEAEHN CNCc1cn(C[C@H]2Cc3cc(C)ccc3O2)nc1C ZINC000090901917 180059795 /nfs/dbraw/zinc/05/97/95/180059795.db2.gz CWJBSWQMJRHRNQ-OAHLLOKOSA-N 0 3 271.364 2.223 10 0 CEAEHN NC[C@@H](c1ccc(OC(F)F)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905904 180061196 /nfs/dbraw/zinc/06/11/96/180061196.db2.gz ZDUYVXAMCJUMSP-MJBXVCDLSA-N 0 3 298.333 2.151 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H](CO)CC(C)C ZINC000090960409 180075530 /nfs/dbraw/zinc/07/55/30/180075530.db2.gz HRYKISMLLLKETJ-NSHDSACASA-N 0 3 270.398 2.203 10 0 CEAEHN CC(=O)Nc1ccsc1CNCC1(O)CCCCC1 ZINC000090960843 180076134 /nfs/dbraw/zinc/07/61/34/180076134.db2.gz IGBLQJWOJKMFCM-UHFFFAOYSA-N 0 3 282.409 2.491 10 0 CEAEHN NCc1cccc(NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000090982566 180079553 /nfs/dbraw/zinc/07/95/53/180079553.db2.gz KQYRHWHQAHHZEP-OAHLLOKOSA-N 0 3 252.317 2.424 10 0 CEAEHN N[C@@H](CNC(=O)[C@@H]1Cc2ccccc21)c1ccccc1 ZINC000090985442 180080994 /nfs/dbraw/zinc/08/09/94/180080994.db2.gz PNJVJNOIBUDBLP-CVEARBPZSA-N 0 3 266.344 2.143 10 0 CEAEHN CNCc1cccn1CC(=O)Nc1ccc(Cl)cc1 ZINC000090995824 180082857 /nfs/dbraw/zinc/08/28/57/180082857.db2.gz LMPLUUHIFZJDSS-UHFFFAOYSA-N 0 3 277.755 2.500 10 0 CEAEHN Cn1c(C[C@@H]2CSCCN2)nc2cccc(Cl)c21 ZINC000091128604 180100338 /nfs/dbraw/zinc/10/03/38/180100338.db2.gz WHHDNICNTLJZRF-SECBINFHSA-N 0 3 281.812 2.474 10 0 CEAEHN COCCNCc1cnn(-c2cc(C)ccn2)c1C(F)F ZINC000091338368 180136297 /nfs/dbraw/zinc/13/62/97/180136297.db2.gz RKDSVKAWEADTSQ-UHFFFAOYSA-N 0 3 296.321 2.249 10 0 CEAEHN CCCCn1ncc(CNCCOC)c1C(F)F ZINC000091337706 180136330 /nfs/dbraw/zinc/13/63/30/180136330.db2.gz HTKPGVCTRPNMQH-UHFFFAOYSA-N 0 3 261.316 2.357 10 0 CEAEHN COc1ccc([C@H](NCCNC(=O)C2CC2)C2CC2)cc1 ZINC000091263864 180116408 /nfs/dbraw/zinc/11/64/08/180116408.db2.gz PSMGNBOZXVFBEC-MRXNPFEDSA-N 0 3 288.391 2.262 10 0 CEAEHN CCCNCc1c(C)nn(C)c1S[C@@H](C)CCO ZINC000091268359 180117165 /nfs/dbraw/zinc/11/71/65/180117165.db2.gz MNWOKLDZRBBPAW-JTQLQIEISA-N 0 3 271.430 2.091 10 0 CEAEHN NC[C@H](c1cncn1C1CC1)N1Cc2ccccc2C1 ZINC000091276506 180119697 /nfs/dbraw/zinc/11/96/97/180119697.db2.gz YSKRLMQRIGPAHE-OAHLLOKOSA-N 0 3 268.364 2.234 10 0 CEAEHN Cc1ccc(N(C)C(=O)C[C@@H]2CSCCN2)c(C)c1 ZINC000091290784 180122193 /nfs/dbraw/zinc/12/21/93/180122193.db2.gz CRYAQYOKJVJLKM-CYBMUJFWSA-N 0 3 278.421 2.361 10 0 CEAEHN CCn1c(C[C@@H]2CNCCO2)nc2cccc(Cl)c21 ZINC000091293307 180124022 /nfs/dbraw/zinc/12/40/22/180124022.db2.gz UJTQICRYTDUPJN-SNVBAGLBSA-N 0 3 279.771 2.241 10 0 CEAEHN CCC1CCC(c2noc(C[C@H]3CNCCO3)n2)CC1 ZINC000091295182 180124527 /nfs/dbraw/zinc/12/45/27/180124527.db2.gz NIOBZNZPKLQKAC-BPCQOVAHSA-N 0 3 279.384 2.284 10 0 CEAEHN CN(C)[C@@H]1CCCN(c2nc3c(s2)CCCC3=O)C1 ZINC000091432673 180153707 /nfs/dbraw/zinc/15/37/07/180153707.db2.gz JOCLIYGOYHNRSG-SNVBAGLBSA-N 0 3 279.409 2.193 10 0 CEAEHN CNCc1cncc(Oc2cncc(Cl)c2)n1 ZINC000091435467 180154389 /nfs/dbraw/zinc/15/43/89/180154389.db2.gz IBXDGZBVXXVEFD-UHFFFAOYSA-N 0 3 250.689 2.037 10 0 CEAEHN CC(C)(C)NCc1cncc(OC[C@H]2CCCCO2)n1 ZINC000091433423 180154507 /nfs/dbraw/zinc/15/45/07/180154507.db2.gz YVMLXABFVIYLGT-CYBMUJFWSA-N 0 3 279.384 2.313 10 0 CEAEHN CNCc1cncc(Oc2cc(F)ccc2F)n1 ZINC000091435259 180154520 /nfs/dbraw/zinc/15/45/20/180154520.db2.gz CVPSNAZVJWYDME-UHFFFAOYSA-N 0 3 251.236 2.267 10 0 CEAEHN CO[C@@H]1CCC[C@H](Oc2cncc(CNC(C)C)n2)C1 ZINC000091435424 180154679 /nfs/dbraw/zinc/15/46/79/180154679.db2.gz GBGROLFAGAKWNO-KGLIPLIRSA-N 0 3 279.384 2.311 10 0 CEAEHN CCNCc1cncc(Oc2cccc(N(C)C)c2)n1 ZINC000091435030 180154758 /nfs/dbraw/zinc/15/47/58/180154758.db2.gz JCPVHXIJKRVZMQ-UHFFFAOYSA-N 0 3 272.352 2.444 10 0 CEAEHN CN(CC1CC(O)C1)c1cc(Cl)ccc1CN ZINC000091462216 180162112 /nfs/dbraw/zinc/16/21/12/180162112.db2.gz HIQYCAFXKLVZKU-UHFFFAOYSA-N 0 3 254.761 2.006 10 0 CEAEHN CC1(C)C(C(=O)N[C@H](CN)c2ccccc2)C1(C)C ZINC000091494702 180171195 /nfs/dbraw/zinc/17/11/95/180171195.db2.gz DMDDFFNCPUZPQZ-GFCCVEGCSA-N 0 3 260.381 2.485 10 0 CEAEHN CCCn1ccnc1[C@@H](NC)[C@](C)(CC)N(C)C ZINC000091570787 180195300 /nfs/dbraw/zinc/19/53/00/180195300.db2.gz XDPVQLMXAYOZOU-OCCSQVGLSA-N 0 3 252.406 2.284 10 0 CEAEHN CCCN[C@H](c1cnccn1)[C@@](C)(CC)N(C)C ZINC000091571781 180196623 /nfs/dbraw/zinc/19/66/23/180196623.db2.gz QTZLKZYICBQNLU-ZIAGYGMSSA-N 0 3 250.390 2.248 10 0 CEAEHN CCCN[C@@H](c1nccn1C)[C@](C)(CC)N(C)C ZINC000091571886 180196713 /nfs/dbraw/zinc/19/67/13/180196713.db2.gz YPJHDJMNIMFYCQ-JSGCOSHPSA-N 0 3 252.406 2.191 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091611925 180206325 /nfs/dbraw/zinc/20/63/25/180206325.db2.gz BXIPGYAFNCATNA-CABCVRRESA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccc(OC)c(F)c1)N1CCOCC1 ZINC000091612163 180207538 /nfs/dbraw/zinc/20/75/38/180207538.db2.gz HYVCNWFLJVRDSB-HOTGVXAUSA-N 0 3 296.386 2.335 10 0 CEAEHN CCC(CC)(C(=O)Cc1cccnc1N)N1CCCC1 ZINC000091634293 180210037 /nfs/dbraw/zinc/21/00/37/180210037.db2.gz OUNIYSMQZCQRGP-UHFFFAOYSA-N 0 3 275.396 2.430 10 0 CEAEHN CCc1cc(CC(=O)C2(N(C)C)CCCC2)n(CC)n1 ZINC000091635909 180211737 /nfs/dbraw/zinc/21/17/37/180211737.db2.gz SZGNCNRVUBUWJQ-UHFFFAOYSA-N 0 3 277.412 2.451 10 0 CEAEHN CCCn1ccnc1[C@H](N)C1(N(C)C)CCCC1 ZINC000091637418 180212442 /nfs/dbraw/zinc/21/24/42/180212442.db2.gz IJAWQTNEARIKHJ-LBPRGKRZSA-N 0 3 250.390 2.167 10 0 CEAEHN CN[C@H](c1ccco1)C1(N2CCOCC2)CCCC1 ZINC000091643192 180214301 /nfs/dbraw/zinc/21/43/01/180214301.db2.gz UKFQYYPEGSKFCW-CQSZACIVSA-N 0 3 264.369 2.185 10 0 CEAEHN CN(C)C1(C(=O)Cc2cccnc2N)CCCCC1 ZINC000091646538 180215511 /nfs/dbraw/zinc/21/55/11/180215511.db2.gz RNAJFTOHSQLZMD-UHFFFAOYSA-N 0 3 261.369 2.040 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1)[C@H]1CN(C)CCO1 ZINC000091719341 180234140 /nfs/dbraw/zinc/23/41/40/180234140.db2.gz KETBDPYVOCECCB-HUUCEWRRSA-N 0 3 266.360 2.197 10 0 CEAEHN CCCN[C@H](c1cccc(OC)c1)[C@H]1CN(C)CCO1 ZINC000091719045 180234263 /nfs/dbraw/zinc/23/42/63/180234263.db2.gz AEPSWFDWUPSTAK-HZPDHXFCSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@H](c1ccccc1OCC)[C@@H]1CN(C)CCO1 ZINC000091719443 180234608 /nfs/dbraw/zinc/23/46/08/180234608.db2.gz PAGVVOGYCFCLFU-DLBZAZTESA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@H](c1cc(F)ccc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720894 180236391 /nfs/dbraw/zinc/23/63/91/180236391.db2.gz RZHINWOJJSCNRF-BYCMXARLSA-N 0 3 282.334 2.089 10 0 CEAEHN Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)sc1CNC1CC1 ZINC000091723152 180242516 /nfs/dbraw/zinc/24/25/16/180242516.db2.gz LFKIHHXDPBCYTJ-OLZOCXBDSA-N 0 3 293.436 2.239 10 0 CEAEHN Cc1noc(CCNCc2ccccc2OC(C)C)n1 ZINC000105470424 186058982 /nfs/dbraw/zinc/05/89/82/186058982.db2.gz DUHQVWIXWJYYTF-UHFFFAOYSA-N 0 3 275.352 2.498 10 0 CEAEHN CN1CCO[C@@H](CNCc2ccc(C(C)(C)C)cc2)C1 ZINC000105472692 186059726 /nfs/dbraw/zinc/05/97/26/186059726.db2.gz UFPMMICZUHOLIF-INIZCTEOSA-N 0 3 276.424 2.404 10 0 CEAEHN CCC(CC)NC(=O)[C@@H](C)N(C)C1CCC(=O)CC1 ZINC000091854030 180273856 /nfs/dbraw/zinc/27/38/56/180273856.db2.gz YHHIAXJKQCGXLV-LLVKDONJSA-N 0 3 268.401 2.123 10 0 CEAEHN O=C1C2=NNN(c3ccccc3)C2C(=O)N1C1CCCCC1 ZINC000105629291 186065986 /nfs/dbraw/zinc/06/59/86/186065986.db2.gz ZMYZMAKUZJVMIB-KBPBESRZSA-N 0 3 298.346 2.313 10 0 CEAEHN NCc1ncoc1-c1c(F)c(F)c(F)c(F)c1F ZINC000091957581 180292149 /nfs/dbraw/zinc/29/21/49/180292149.db2.gz NHCRTMDXFRBUGM-UHFFFAOYSA-N 0 3 264.153 2.496 10 0 CEAEHN CNCc1ncoc1-c1cnn(-c2ccccc2)c1 ZINC000091957661 180292488 /nfs/dbraw/zinc/29/24/88/180292488.db2.gz NBXGIGPCPGQGBI-UHFFFAOYSA-N 0 3 254.293 2.247 10 0 CEAEHN COC[C@@H](C)Oc1ccc(C)nc1CNC(C)C ZINC000091995456 180301852 /nfs/dbraw/zinc/30/18/52/180301852.db2.gz WIAOHRWXQPIPII-GFCCVEGCSA-N 0 3 252.358 2.302 10 0 CEAEHN CCCNC(=O)COc1ccc(C)nc1CNCC(C)C ZINC000091996427 180302479 /nfs/dbraw/zinc/30/24/79/180302479.db2.gz ZMAVWITYRGVOCZ-UHFFFAOYSA-N 0 3 293.411 2.041 10 0 CEAEHN COc1c(CN2CCCC[C@H](SC)C2)c(C)nn1C ZINC000092064168 180316847 /nfs/dbraw/zinc/31/68/47/180316847.db2.gz ANIFRVYIJAXCMK-LBPRGKRZSA-N 0 3 283.441 2.455 10 0 CEAEHN COC(=O)CCCN(C)C[C@H]1COc2ccccc21 ZINC000092305678 180360106 /nfs/dbraw/zinc/36/01/06/180360106.db2.gz AFQWPIKQTLVCFU-LBPRGKRZSA-N 0 3 263.337 2.048 10 0 CEAEHN NCc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2S1 ZINC000092231959 180348647 /nfs/dbraw/zinc/34/86/47/180348647.db2.gz FRLSIGDGBUFINR-INIZCTEOSA-N 0 3 298.411 2.479 10 0 CEAEHN CSc1ccccc1C(=O)N1[C@@H](C)CNC[C@@H]1C ZINC000092232191 180348667 /nfs/dbraw/zinc/34/86/67/180348667.db2.gz QPQOBGGCZXAXKN-QWRGUYRKSA-N 0 3 264.394 2.231 10 0 CEAEHN CNCc1cnn(C[C@H]2CSc3ccccc32)c1 ZINC000092294513 180357948 /nfs/dbraw/zinc/35/79/48/180357948.db2.gz CMCQNHFXAONBDN-LBPRGKRZSA-N 0 3 259.378 2.492 10 0 CEAEHN CCN[C@H](CN1C(=O)C[C@H](C)C1=O)c1cc(C)ccc1C ZINC000105832585 186076353 /nfs/dbraw/zinc/07/63/53/186076353.db2.gz OTPCCRUHTJXXOV-DZGCQCFKSA-N 0 3 288.391 2.349 10 0 CEAEHN CCOCCN1CCN(CCOC(C)(C)C)C[C@@H]1CC ZINC000105838552 186077797 /nfs/dbraw/zinc/07/77/97/186077797.db2.gz SQPICOIHWZRUFL-HNNXBMFYSA-N 0 3 286.460 2.234 10 0 CEAEHN CC(C)N1C(=O)C[C@H](N[C@H](C)CCc2ccccc2)C1=O ZINC000105908587 186087844 /nfs/dbraw/zinc/08/78/44/186087844.db2.gz IFZDJLANDLMCBB-HIFRSBDPSA-N 0 3 288.391 2.133 10 0 CEAEHN CCOCCN1CCN(Cc2ccccn2)C[C@@H]1CC ZINC000105914827 186088493 /nfs/dbraw/zinc/08/84/93/186088493.db2.gz WAGGBSUHNWDWOK-INIZCTEOSA-N 0 3 277.412 2.014 10 0 CEAEHN COc1cc(OC)cc([C@@H](CN)NCc2ccccc2)c1 ZINC000106024152 186098187 /nfs/dbraw/zinc/09/81/87/186098187.db2.gz GWAXBZYWMDNVRS-QGZVFWFLSA-N 0 3 286.375 2.493 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(F)c2F)CCN1C[C@@H](C)O ZINC000106103336 186102221 /nfs/dbraw/zinc/10/22/21/186102221.db2.gz GAZXBZXGWWLCNK-TZMCWYRMSA-N 0 3 298.377 2.242 10 0 CEAEHN CCNc1cccc(CN2CCN(C)C(C)(C)C2)n1 ZINC000092370828 180369809 /nfs/dbraw/zinc/36/98/09/180369809.db2.gz DJQWINRSCQGNHC-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN COc1ccc2c(c1)[C@H](O)[C@H](N(C)C[C@@H]1CCCO1)CC2 ZINC000092387856 180374688 /nfs/dbraw/zinc/37/46/88/180374688.db2.gz XZVYSDUCQOGDEM-UAGQMJEPSA-N 0 3 291.391 2.154 10 0 CEAEHN CC(C)[C@@H](CO)Nc1c(CN)cnc2ccccc21 ZINC000092391521 180375285 /nfs/dbraw/zinc/37/52/85/180375285.db2.gz SHHMWZPGOPQOQF-CQSZACIVSA-N 0 3 259.353 2.122 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N[C@@H](CO)C(C)C)CCO2 ZINC000092393270 180376294 /nfs/dbraw/zinc/37/62/94/180376294.db2.gz OIBNPQDQKHITAQ-KBPBESRZSA-N 0 3 265.353 2.125 10 0 CEAEHN COc1ccc(OC)c([C@H]2CN[C@H](C(C)C)CO2)c1 ZINC000092403448 180378026 /nfs/dbraw/zinc/37/80/26/180378026.db2.gz QQFYWKXTWNOKOP-DZGCQCFKSA-N 0 3 265.353 2.389 10 0 CEAEHN CC(C)[C@@H]1CO[C@@H](c2nc3ccccc3n2C)CN1 ZINC000092403208 180378316 /nfs/dbraw/zinc/37/83/16/180378316.db2.gz KOLQWLZWDRWZBX-GXTWGEPZSA-N 0 3 259.353 2.259 10 0 CEAEHN CCNc1ccnc(CN2CCCC[C@@H]2CCO)c1 ZINC000092417992 180380750 /nfs/dbraw/zinc/38/07/50/180380750.db2.gz LNEWJVDZNJVZOY-OAHLLOKOSA-N 0 3 263.385 2.250 10 0 CEAEHN CCNc1ccnc(CN2CCC[C@@H](C(=O)OCC)C2)c1 ZINC000092417871 180381486 /nfs/dbraw/zinc/38/14/86/180381486.db2.gz DWCDKZDOVZAGRE-CYBMUJFWSA-N 0 3 291.395 2.289 10 0 CEAEHN OCCN(Cc1cc(Cl)ccn1)C1CCCC1 ZINC000092416467 180381543 /nfs/dbraw/zinc/38/15/43/180381543.db2.gz ASHAHFIXHREZFT-UHFFFAOYSA-N 0 3 254.761 2.472 10 0 CEAEHN Nc1ccnc(CN2CCOc3ccccc3C2)c1 ZINC000092419161 180382367 /nfs/dbraw/zinc/38/23/67/180382367.db2.gz OTCMNIPATAYJSN-UHFFFAOYSA-N 0 3 255.321 2.058 10 0 CEAEHN COc1ccc(OCc2cccc(C)n2)c(CN)c1 ZINC000092427247 180383570 /nfs/dbraw/zinc/38/35/70/180383570.db2.gz NEOZGEGOJVNQNA-UHFFFAOYSA-N 0 3 258.321 2.436 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000107393247 186172991 /nfs/dbraw/zinc/17/29/91/186172991.db2.gz QSCBRGNYIFISLY-OCCSQVGLSA-N 0 3 261.369 2.093 10 0 CEAEHN CSc1ccsc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000107246911 186164368 /nfs/dbraw/zinc/16/43/68/186164368.db2.gz BVQWYYLOZNCYNB-VIFPVBQESA-N 0 3 270.423 2.246 10 0 CEAEHN COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000107926434 186198678 /nfs/dbraw/zinc/19/86/78/186198678.db2.gz UNRQNWMVEMVCAA-YIONKMFJSA-N 0 3 261.365 2.491 10 0 CEAEHN COC[C@H](N)Cc1nc(-c2ccc3ccccc3c2)no1 ZINC000109509750 186258182 /nfs/dbraw/zinc/25/81/82/186258182.db2.gz HKQQAPHQBRZEGG-CQSZACIVSA-N 0 3 283.331 2.406 10 0 CEAEHN CN(Cc1nccn1C)c1cc(CN)nc2ccccc21 ZINC000109589589 186264569 /nfs/dbraw/zinc/26/45/69/186264569.db2.gz USELQOBXXQCPNG-UHFFFAOYSA-N 0 3 281.363 2.063 10 0 CEAEHN Cc1ccc(CN2CCN([C@@H](C)C(N)=S)CC2)cc1C ZINC000109468165 186254283 /nfs/dbraw/zinc/25/42/83/186254283.db2.gz KZZFGIGJNBOYAO-AWEZNQCLSA-N 0 3 291.464 2.096 10 0 CEAEHN CCOc1ccccc1[C@H](CO[C@H]1CCOC1)NC ZINC000110526748 186301064 /nfs/dbraw/zinc/30/10/64/186301064.db2.gz FFHFUIVWSZWVAW-JSGCOSHPSA-N 0 3 265.353 2.151 10 0 CEAEHN CCOc1cc(N(C)[C@@H]2CCCN(C)C2)c(N)cc1F ZINC000110634542 186307528 /nfs/dbraw/zinc/30/75/28/186307528.db2.gz ORZBLZQENJPVQN-LLVKDONJSA-N 0 3 281.375 2.337 10 0 CEAEHN CCN(C)[C@H](CN)c1ccc(OC)c(OC)c1Cl ZINC000110827689 186327885 /nfs/dbraw/zinc/32/78/85/186327885.db2.gz DGNWUYZOGHHUGZ-SNVBAGLBSA-N 0 3 272.776 2.309 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)CC1CCCC1)C(=O)[O-] ZINC000110840945 186328570 /nfs/dbraw/zinc/32/85/70/186328570.db2.gz VLLPYXZYZCHIPP-HNNXBMFYSA-N 0 3 270.417 2.341 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OCC(=O)NC1CC1 ZINC000110960608 186337115 /nfs/dbraw/zinc/33/71/15/186337115.db2.gz YRBYKMYDWUHIRS-LBPRGKRZSA-N 0 3 276.380 2.323 10 0 CEAEHN CCN1CCN([C@@H](CN)c2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H]1C ZINC000110708919 186315500 /nfs/dbraw/zinc/31/55/00/186315500.db2.gz BIWVYQVCNYAMPM-XQLPTFJDSA-N 0 3 291.439 2.429 10 0 CEAEHN CC[C@H]1CN(CCNc2ccc(F)cc2)CCN1C ZINC000110757550 186321309 /nfs/dbraw/zinc/32/13/09/186321309.db2.gz WENDORZBVIKKNW-HNNXBMFYSA-N 0 3 265.376 2.264 10 0 CEAEHN CCN1CCC(NC(=O)c2c(N)cccc2Cl)CC1 ZINC000111011280 186343198 /nfs/dbraw/zinc/34/31/98/186343198.db2.gz IQQSATNJLUGIFS-UHFFFAOYSA-N 0 3 281.787 2.136 10 0 CEAEHN CCN(C[C@@H]1CCCO1)[C@@H](CN)c1cccc(F)c1F ZINC000111039533 186346690 /nfs/dbraw/zinc/34/66/90/186346690.db2.gz ILMXAYPPZMPEQU-FZMZJTMJSA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1[C@@H](CN)c1cccc(F)c1F ZINC000111039489 186346843 /nfs/dbraw/zinc/34/68/43/186346843.db2.gz NJMXZAWRKYWPBK-SUNKGSAMSA-N 0 3 284.350 2.464 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC2(O)CCC2)c1C ZINC000130797926 365992398 /nfs/dbraw/zinc/99/23/98/365992398.db2.gz MQBOYJIMUXNMFZ-SNVBAGLBSA-N 0 3 251.374 2.085 10 0 CEAEHN CN(Cc1ccncc1)[C@H](CN)c1cccc(F)c1F ZINC000111039281 186347250 /nfs/dbraw/zinc/34/72/50/186347250.db2.gz FHEWQYWTECZDSW-CQSZACIVSA-N 0 3 277.318 2.492 10 0 CEAEHN CCOCCN(CC)Cc1cc(CNCC(C)C)no1 ZINC000111123914 186354680 /nfs/dbraw/zinc/35/46/80/186354680.db2.gz AWDUAMLSUGMMHV-UHFFFAOYSA-N 0 3 283.416 2.279 10 0 CEAEHN CCOCCN(CC)Cc1cccc(C(N)=S)c1 ZINC000111119344 186355011 /nfs/dbraw/zinc/35/50/11/186355011.db2.gz JZJOGMLBITXQQW-UHFFFAOYSA-N 0 3 266.410 2.179 10 0 CEAEHN C[C@H](NC(=O)c1ccc(CN)cn1)c1ccccc1F ZINC000111281853 186387857 /nfs/dbraw/zinc/38/78/57/186387857.db2.gz NPHCSGLMNFAVBB-JTQLQIEISA-N 0 3 273.311 2.170 10 0 CEAEHN C[C@@H](NC(=O)c1ccc(CN)cn1)C1CCCCC1 ZINC000111282327 186388565 /nfs/dbraw/zinc/38/85/65/186388565.db2.gz XMBRJEYJCYTVKB-LLVKDONJSA-N 0 3 261.369 2.239 10 0 CEAEHN C[C@H](CCNC(=O)c1ccc(CN)cn1)c1ccccc1 ZINC000111282418 186389809 /nfs/dbraw/zinc/38/98/09/186389809.db2.gz ANUYMIKKSBAGJP-CYBMUJFWSA-N 0 3 283.375 2.464 10 0 CEAEHN COc1ccc([C@H](C)N[C@H]2CCCNC(=O)C2)cc1OC ZINC000111826030 186459873 /nfs/dbraw/zinc/45/98/73/186459873.db2.gz HPTVEWTZFMAVSO-AAEUAGOBSA-N 0 3 292.379 2.023 10 0 CEAEHN Cc1ccc(C(=O)NC2(C[NH3+])CCC(C)CC2)c([O-])c1 ZINC000111370357 186408137 /nfs/dbraw/zinc/40/81/37/186408137.db2.gz JSIHNPWVKXHTLB-UHFFFAOYSA-N 0 3 276.380 2.338 10 0 CEAEHN C[C@@H](NCCn1ccccc1=O)c1ccccc1F ZINC000112091039 186469821 /nfs/dbraw/zinc/46/98/21/186469821.db2.gz HWMDKLBYAYLJMR-GFCCVEGCSA-N 0 3 260.312 2.338 10 0 CEAEHN CC[C@](C)(O)CN(C)Cc1ccc2c(c1)OCO2 ZINC000123051645 187068535 /nfs/dbraw/zinc/06/85/35/187068535.db2.gz ALZWPNUMTXSJNO-AWEZNQCLSA-N 0 3 251.326 2.008 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(CC3=CCCOC3)C2)c1 ZINC000123084195 187070261 /nfs/dbraw/zinc/07/02/61/187070261.db2.gz UWHREBLFKYDINE-OAHLLOKOSA-N 0 3 261.369 2.175 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCC2=CCCC2)C1 ZINC000122573452 187039097 /nfs/dbraw/zinc/03/90/97/187039097.db2.gz OYQDHRUUEKWLEO-AWEZNQCLSA-N 0 3 265.401 2.270 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccccc1O ZINC000124213621 187127048 /nfs/dbraw/zinc/12/70/48/187127048.db2.gz OZSFQGWPROZMGZ-CQSZACIVSA-N 0 3 278.396 2.027 10 0 CEAEHN O=C(CCN[C@H]1CCc2c1cccc2O)N1CCCCC1 ZINC000123763276 187108115 /nfs/dbraw/zinc/10/81/15/187108115.db2.gz KXNYLSQCHJHGCD-HNNXBMFYSA-N 0 3 288.391 2.372 10 0 CEAEHN COc1ccc2c(c1)[C@H](NCCn1cc(C)cn1)CC2 ZINC000123949260 187115536 /nfs/dbraw/zinc/11/55/36/187115536.db2.gz JBRNKNIDKPXBDF-MRXNPFEDSA-N 0 3 271.364 2.477 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C)c(N)c1 ZINC000092621279 539827520 /nfs/dbraw/zinc/82/75/20/539827520.db2.gz HKOAHNPHQAOYIA-CQSZACIVSA-N 0 3 275.396 2.134 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000236940230 370660582 /nfs/dbraw/zinc/66/05/82/370660582.db2.gz UBWBRXXHEZGGGF-CQSZACIVSA-N 0 3 278.371 2.491 10 0 CEAEHN COc1cc(F)c(NC(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000156116235 188244126 /nfs/dbraw/zinc/24/41/26/188244126.db2.gz WLZWBZNSHLQMQC-VIFPVBQESA-N 0 3 299.321 2.141 10 0 CEAEHN CC1(C)CCc2ccccc2[C@H]1NCCS(C)(=O)=O ZINC000156734374 188279004 /nfs/dbraw/zinc/27/90/04/188279004.db2.gz OAMMAEZESCNTQF-CQSZACIVSA-N 0 3 281.421 2.334 10 0 CEAEHN NC[C@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252793425 540008415 /nfs/dbraw/zinc/00/84/15/540008415.db2.gz XDUKATZPBPETAS-FQLMCAECSA-N 0 3 270.376 2.117 10 0 CEAEHN CC(C)(C)[C@@H]1CCCN(C(=O)C2(N)CCOCC2)CC1 ZINC000132267487 366131229 /nfs/dbraw/zinc/13/12/29/366131229.db2.gz YIPHUNBWZONOCY-CYBMUJFWSA-N 0 3 282.428 2.169 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@H]2CCC[C@H](C)C2)CC1 ZINC000133413879 366221917 /nfs/dbraw/zinc/22/19/17/366221917.db2.gz XBRGQGWDERNABH-JYJNAYRXSA-N 0 3 268.445 2.201 10 0 CEAEHN Cc1cc(C2=C[C@H](N)CN(C(=O)OC(C)(C)C)C2)sn1 ZINC000675078833 540119601 /nfs/dbraw/zinc/11/96/01/540119601.db2.gz UPLQFHHZADYAST-NSHDSACASA-N 0 3 295.408 2.413 10 0 CEAEHN Cc1ccc(CN[C@H]2CCCN(CCO)C2)c(Cl)c1 ZINC000384275821 540204916 /nfs/dbraw/zinc/20/49/16/540204916.db2.gz ABBPCYWINMTDBD-AWEZNQCLSA-N 0 3 282.815 2.195 10 0 CEAEHN CN(C)Cc1ccc(C(=O)N[C@H]2CCCCC[C@@H]2O)cc1 ZINC000135957532 366485577 /nfs/dbraw/zinc/48/55/77/366485577.db2.gz BDNBHPUAXLTFBL-HOTGVXAUSA-N 0 3 290.407 2.172 10 0 CEAEHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)C(=O)Nc1ccccc1 ZINC000667859527 540524523 /nfs/dbraw/zinc/52/45/23/540524523.db2.gz RJHWBSTYWFMUSN-NILFDRSVSA-N 0 3 274.364 2.171 10 0 CEAEHN CN(C)C[C@H]1CN([C@@H]2CCCc3ccccc32)CCO1 ZINC000151019966 366612540 /nfs/dbraw/zinc/61/25/40/366612540.db2.gz MSWFIYXIJHHBSX-DOTOQJQBSA-N 0 3 274.408 2.326 10 0 CEAEHN COc1ccc(F)c(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000176641317 189002677 /nfs/dbraw/zinc/00/26/77/189002677.db2.gz QXJHYMKFYGOFNE-LLVKDONJSA-N 0 3 293.342 2.146 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1COc2ccccc21 ZINC000177032619 189022746 /nfs/dbraw/zinc/02/27/46/189022746.db2.gz IBDYPMUJHKJLQJ-UKRRQHHQSA-N 0 3 288.391 2.105 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1ccccc1C)N(C)C ZINC000179238288 189179826 /nfs/dbraw/zinc/17/98/26/189179826.db2.gz FNRWOUHQTLHXBS-HNNXBMFYSA-N 0 3 262.397 2.384 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1CCOc2ccc(F)cc21)N(C)C ZINC000179260929 189181604 /nfs/dbraw/zinc/18/16/04/189181604.db2.gz NFKNXNGKRFQLAD-ZIAGYGMSSA-N 0 3 294.370 2.496 10 0 CEAEHN Cc1cnn(CCN[C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000179293170 189183940 /nfs/dbraw/zinc/18/39/40/189183940.db2.gz JFRLZFZPUPHTAJ-ZDUSSCGKSA-N 0 3 271.364 2.477 10 0 CEAEHN CSc1cc(C(=O)N2CCN3CCC[C@H]3C2)ccc1F ZINC000179814001 189221859 /nfs/dbraw/zinc/22/18/59/189221859.db2.gz JQIHHOADTXEDHW-LBPRGKRZSA-N 0 3 294.395 2.468 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@@H]2CCc3ncnn3C2)s1 ZINC000180596055 189264074 /nfs/dbraw/zinc/26/40/74/189264074.db2.gz FVOXRPUUHKFCMC-GHMZBOCLSA-N 0 3 262.382 2.314 10 0 CEAEHN CCCc1csc(NC(=O)N2CCN3CCC[C@H]3C2)n1 ZINC000180693194 189270129 /nfs/dbraw/zinc/27/01/29/189270129.db2.gz PLVAULZVPQVOML-LBPRGKRZSA-N 0 3 294.424 2.408 10 0 CEAEHN Cc1ccc(C[C@H](C)C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000181200422 189290745 /nfs/dbraw/zinc/29/07/45/189290745.db2.gz YRQWCKHQVMCNFF-HOCLYGCPSA-N 0 3 274.408 2.336 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC000181248421 189292133 /nfs/dbraw/zinc/29/21/33/189292133.db2.gz CVUPZXJSPINYTJ-HNNXBMFYSA-N 0 3 292.427 2.095 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000236997436 370675021 /nfs/dbraw/zinc/67/50/21/370675021.db2.gz AELXXJMUQGIPCL-NXEZZACHSA-N 0 3 266.307 2.351 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000082286711 363759670 /nfs/dbraw/zinc/75/96/70/363759670.db2.gz HFMKGKAGAXKTCP-ZDUSSCGKSA-N 0 3 266.772 2.045 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000082287046 363760381 /nfs/dbraw/zinc/76/03/81/363760381.db2.gz CGVGGIVGAHEKIC-VIFPVBQESA-N 0 3 270.735 2.255 10 0 CEAEHN CSCC[C@H](N)C(=O)Nc1cccc2cccnc21 ZINC000011755078 361363775 /nfs/dbraw/zinc/36/37/75/361363775.db2.gz GRMLCRHYLSDBHS-NSHDSACASA-N 0 3 275.377 2.254 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000083550242 363778543 /nfs/dbraw/zinc/77/85/43/363778543.db2.gz XGJYALZZOPFZKE-SWLSCSKDSA-N 0 3 283.375 2.477 10 0 CEAEHN C[C@@H](NCC(=O)Nc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000183093561 189346364 /nfs/dbraw/zinc/34/63/64/189346364.db2.gz ZSLTYKDPWCDRIL-NOZJJQNGSA-N 0 3 284.306 2.060 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000183104605 189347089 /nfs/dbraw/zinc/34/70/89/189347089.db2.gz YRUSQSJLNKSCBK-YCPHGPKFSA-N 0 3 290.407 2.191 10 0 CEAEHN C[C@H](NCC(=O)NCc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000183151474 189348198 /nfs/dbraw/zinc/34/81/98/189348198.db2.gz UCOGHJNGZZVCBA-SMDDNHRTSA-N 0 3 296.798 2.113 10 0 CEAEHN OC[C@H]1CCCN1C[C@H]1CCCN1c1ccncc1Cl ZINC000301696507 201145252 /nfs/dbraw/zinc/14/52/52/201145252.db2.gz BHJRCOABSICYDO-CHWSQXEVSA-N 0 3 295.814 2.161 10 0 CEAEHN COC(=O)COc1ccccc1[C@H](C)N[C@@H]1C[C@H]1C ZINC000183552526 189362082 /nfs/dbraw/zinc/36/20/82/189362082.db2.gz OFFCAAQQNPBKMT-NTZNESFSSA-N 0 3 263.337 2.297 10 0 CEAEHN Cc1cccc2c(N3C[C@H]4OCCN(C)[C@@H]4C3)ccnc12 ZINC000301715307 201155396 /nfs/dbraw/zinc/15/53/96/201155396.db2.gz MPEQNAIMFDYMNF-HZPDHXFCSA-N 0 3 283.375 2.062 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H](C)c1ncc(C)s1)N(C)C ZINC000184017026 189374670 /nfs/dbraw/zinc/37/46/70/189374670.db2.gz YLJKHXLKMVAOLM-ZYHUDNBSSA-N 0 3 283.441 2.402 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCc1ncc[nH]1 ZINC000089150754 363937982 /nfs/dbraw/zinc/93/79/82/363937982.db2.gz RDAFCEWLMYZHQT-NWDGAFQWSA-N 0 3 294.399 2.193 10 0 CEAEHN C[C@@H](NCCN1C(=O)CCC1=O)c1ccc(F)c(Cl)c1 ZINC000089683520 363992115 /nfs/dbraw/zinc/99/21/15/363992115.db2.gz HVJUWADPMMTPMH-SECBINFHSA-N 0 3 298.745 2.279 10 0 CEAEHN c1cnn(CC2CCN(Cc3cccnc3)CC2)c1 ZINC000090473525 364059465 /nfs/dbraw/zinc/05/94/65/364059465.db2.gz AAHPPVHRDFRGCT-UHFFFAOYSA-N 0 3 256.353 2.190 10 0 CEAEHN Cc1c(CNC[C@@H](c2ccco2)N2CCCC2)cnn1C ZINC000093649271 364208927 /nfs/dbraw/zinc/20/89/27/364208927.db2.gz CGXDIPFYBHZTAK-HNNXBMFYSA-N 0 3 288.395 2.248 10 0 CEAEHN COc1c(CN2CCC[C@H]2CSC)c(C)nn1C ZINC000093761260 364222798 /nfs/dbraw/zinc/22/27/98/364222798.db2.gz BBQKKBDAHVRCDQ-NSHDSACASA-N 0 3 269.414 2.065 10 0 CEAEHN O=[S@](c1nc2ccccc2s1)[C@@H]1CCCNC1 ZINC000095073402 364332673 /nfs/dbraw/zinc/33/26/73/364332673.db2.gz HXWQBTKEXFOXKE-VVVCHXIZSA-N 0 3 266.391 2.156 10 0 CEAEHN CC[C@H](OC1CCCC1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000112905172 364855169 /nfs/dbraw/zinc/85/51/69/364855169.db2.gz VGKNAFWQTHHJLC-ZFWWWQNUSA-N 0 3 282.428 2.325 10 0 CEAEHN CCOc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000113222337 364876534 /nfs/dbraw/zinc/87/65/34/364876534.db2.gz STYDSPJUNSFPJE-ZFWWWQNUSA-N 0 3 288.391 2.394 10 0 CEAEHN Cn1cc([C@H]2CCN(C[C@H](O)c3ccc(F)cc3)C2)cn1 ZINC000116319720 365051514 /nfs/dbraw/zinc/05/15/14/365051514.db2.gz NVGYVPOMCNUDMU-BBRMVZONSA-N 0 3 289.354 2.082 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000117786546 365125846 /nfs/dbraw/zinc/12/58/46/365125846.db2.gz VWSNQNZAQNHFIL-LBPRGKRZSA-N 0 3 276.311 2.348 10 0 CEAEHN COCCN1CCN(C[C@@H](C)c2ccccc2)C[C@H]1C ZINC000116878814 365077792 /nfs/dbraw/zinc/07/77/92/365077792.db2.gz UGSCQIMDCGIJBB-HZPDHXFCSA-N 0 3 276.424 2.443 10 0 CEAEHN Cc1nc(C)n(C[C@H]2CCCN(CCOCC3CC3)C2)n1 ZINC000119243029 365241384 /nfs/dbraw/zinc/24/13/84/365241384.db2.gz QCEIMRJYEZJGRF-INIZCTEOSA-N 0 3 292.427 2.034 10 0 CEAEHN Cc1cnn([C@H]2CCCN(CCOCC3CC3)C2)c1 ZINC000119291474 365248026 /nfs/dbraw/zinc/24/80/26/365248026.db2.gz MUXCOJODVKLLIF-HNNXBMFYSA-N 0 3 263.385 2.255 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1ccc(F)cc1F ZINC000282460329 299358140 /nfs/dbraw/zinc/35/81/40/299358140.db2.gz TWKIKUBRHVZMLD-IGJMFERPSA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2cccs2)O1 ZINC000120387909 365417279 /nfs/dbraw/zinc/41/72/79/365417279.db2.gz HSGHEKCPMIYHTA-OCCSQVGLSA-N 0 3 296.436 2.206 10 0 CEAEHN CC[C@@H](C)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000120438504 365424483 /nfs/dbraw/zinc/42/44/83/365424483.db2.gz AZPYGNZOUOPRTB-WBVHZDCISA-N 0 3 276.424 2.384 10 0 CEAEHN CCOCCN1CCN(Cc2cccnc2C)C[C@@H]1CC ZINC000121014076 365512590 /nfs/dbraw/zinc/51/25/90/365512590.db2.gz KDCNRKCFURLMAM-KRWDZBQOSA-N 0 3 291.439 2.323 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(OC)cc2)CCN1CCOC ZINC000120960208 365502234 /nfs/dbraw/zinc/50/22/34/365502234.db2.gz UDFTXTDJWVKTSU-INIZCTEOSA-N 0 3 292.423 2.238 10 0 CEAEHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCn1ccnc1 ZINC000162210447 367145095 /nfs/dbraw/zinc/14/50/95/367145095.db2.gz PGWNNQULVLVGTC-CQSZACIVSA-N 0 3 296.378 2.157 10 0 CEAEHN COC[C@@H](N)c1ccc(OC(F)(F)F)c(F)c1 ZINC000584643892 367174607 /nfs/dbraw/zinc/17/46/07/367174607.db2.gz VUBJKFPOLWXAOL-MRVPVSSYSA-N 0 3 253.195 2.371 10 0 CEAEHN COc1cccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1F ZINC000245591322 370846351 /nfs/dbraw/zinc/84/63/51/370846351.db2.gz PNEGIBSCOBAHAN-WCQYABFASA-N 0 3 294.370 2.293 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccc(Cl)cc2F)nn1 ZINC000163961338 367272163 /nfs/dbraw/zinc/27/21/63/367272163.db2.gz VEDARUPZBZXYBT-UHFFFAOYSA-N 0 3 268.723 2.313 10 0 CEAEHN CC[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)N(C)C ZINC000164322177 367284215 /nfs/dbraw/zinc/28/42/15/367284215.db2.gz UJDPVQPASGQBHM-KGLIPLIRSA-N 0 3 292.427 2.041 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000163604912 367252638 /nfs/dbraw/zinc/25/26/38/367252638.db2.gz DAVXXXDRXUKOAV-RTXFEEFZSA-N 0 3 294.345 2.231 10 0 CEAEHN CCOc1ccc(CCC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170855700 367430610 /nfs/dbraw/zinc/43/06/10/367430610.db2.gz ZRMRSHLSZJNHCV-HNNXBMFYSA-N 0 3 290.407 2.180 10 0 CEAEHN Cc1ccccc1[C@@H](C)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861219 367432752 /nfs/dbraw/zinc/43/27/52/367432752.db2.gz HGTUINFQQRQLIL-ZIAGYGMSSA-N 0 3 275.396 2.402 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000170874805 367439947 /nfs/dbraw/zinc/43/99/47/367439947.db2.gz URKGBKNLWFDTFA-SNVBAGLBSA-N 0 3 269.295 2.133 10 0 CEAEHN O=C(Cc1cccc(Cl)c1)N1CCN2CCC[C@@H]2C1 ZINC000171299669 367517790 /nfs/dbraw/zinc/51/77/90/367517790.db2.gz LSZZHWAEQOVDQY-CQSZACIVSA-N 0 3 278.783 2.189 10 0 CEAEHN COc1cc(F)ccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171888665 367634761 /nfs/dbraw/zinc/63/47/61/367634761.db2.gz QRRJTLQNTFICAF-GFCCVEGCSA-N 0 3 293.342 2.146 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nnc(-c2ccccc2)o1 ZINC000172081542 367670120 /nfs/dbraw/zinc/67/01/20/367670120.db2.gz CZTDICXASUNOMN-UKRRQHHQSA-N 0 3 298.390 2.405 10 0 CEAEHN Cc1nc(C)n(C[C@H]2CCCN(CCc3cccnc3)C2)n1 ZINC000172163013 367687515 /nfs/dbraw/zinc/68/75/15/367687515.db2.gz QVBOLTKSPOBPNG-KRWDZBQOSA-N 0 3 299.422 2.245 10 0 CEAEHN CC[C@H](O)CN1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000172355060 367724861 /nfs/dbraw/zinc/72/48/61/367724861.db2.gz PSQILGDLHGZMFV-CJNGLKHVSA-N 0 3 280.387 2.275 10 0 CEAEHN Cc1cc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1F ZINC000245756082 370870326 /nfs/dbraw/zinc/87/03/26/370870326.db2.gz OQVHPADMKMPIRJ-PBHICJAKSA-N 0 3 292.398 2.287 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)C2CCCC2)C1 ZINC000172313972 367716249 /nfs/dbraw/zinc/71/62/49/367716249.db2.gz RRFOGPCEUVJKQW-GFCCVEGCSA-N 0 3 253.390 2.055 10 0 CEAEHN COc1ccc([C@@H](C)CN2CCO[C@@H](CN(C)C)C2)cc1 ZINC000245835419 370877550 /nfs/dbraw/zinc/87/75/50/370877550.db2.gz BAMSMBCUNKWGRD-YOEHRIQHSA-N 0 3 292.423 2.061 10 0 CEAEHN CC[C@@H]1CCC[C@@H](NC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000172641380 367793007 /nfs/dbraw/zinc/79/30/07/367793007.db2.gz OEGKSVWPVJFGEJ-RBSFLKMASA-N 0 3 279.428 2.445 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2coc3ccccc23)C[C@@H]1C ZINC000245762009 370871369 /nfs/dbraw/zinc/87/13/69/370871369.db2.gz PYSDVJCZMCAXKF-KBPBESRZSA-N 0 3 288.391 2.320 10 0 CEAEHN CCCn1cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000245814196 370877118 /nfs/dbraw/zinc/87/71/18/370877118.db2.gz ZXWAHYKKLNFTMY-HOTGVXAUSA-N 0 3 277.412 2.420 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1cccc(F)c1 ZINC000173500211 367916394 /nfs/dbraw/zinc/91/63/94/367916394.db2.gz HEWLNRWHWXXLEG-RISCZKNCSA-N 0 3 264.344 2.092 10 0 CEAEHN CCN1CCO[C@@H](CNCc2c(C)cccc2C)C1 ZINC000163660903 541635657 /nfs/dbraw/zinc/63/56/57/541635657.db2.gz MPSFBEHTTJRLTJ-HNNXBMFYSA-N 0 3 262.397 2.114 10 0 CEAEHN Cc1ccccc1CCCN1CCO[C@@H](CN(C)C)C1 ZINC000175906543 368187793 /nfs/dbraw/zinc/18/77/93/368187793.db2.gz QUKUTKPHWVPACZ-KRWDZBQOSA-N 0 3 276.424 2.190 10 0 CEAEHN CC1(C)CN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCN1 ZINC000175390609 368133650 /nfs/dbraw/zinc/13/36/50/368133650.db2.gz DREPPFAHMNGHPC-RYUDHWBXSA-N 0 3 294.345 2.279 10 0 CEAEHN C[C@@H]1CN(c2ccnc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000176705597 368251372 /nfs/dbraw/zinc/25/13/72/368251372.db2.gz ROYKKHVCNXLANI-KDOFPFPSSA-N 0 3 297.402 2.392 10 0 CEAEHN C[C@@H](NC(=O)N(C)CCN(C)C)c1ccc(F)c(F)c1 ZINC000176128580 368204934 /nfs/dbraw/zinc/20/49/34/368204934.db2.gz MSHDUBCYYUUNLZ-SNVBAGLBSA-N 0 3 285.338 2.229 10 0 CEAEHN CCOC(=O)CCCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000246201678 370926487 /nfs/dbraw/zinc/92/64/87/370926487.db2.gz NVTSAPPDKWBTOT-ZIAGYGMSSA-N 0 3 269.385 2.363 10 0 CEAEHN CC(C)Cc1nsc(N2CCN3CCC[C@@H]3C2)n1 ZINC000185170870 368760656 /nfs/dbraw/zinc/76/06/56/368760656.db2.gz BBEAJXHFLLXEBX-LLVKDONJSA-N 0 3 266.414 2.021 10 0 CEAEHN COc1ccc(CN(C)[C@@H]2CCC[C@@H]2O)cc1OC ZINC000348545723 369081901 /nfs/dbraw/zinc/08/19/01/369081901.db2.gz LCKJULORDYAJRM-OLZOCXBDSA-N 0 3 265.353 2.049 10 0 CEAEHN CCc1ccccc1CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000188288768 369332876 /nfs/dbraw/zinc/33/28/76/369332876.db2.gz KZYKEPLUMCIGAF-MRXNPFEDSA-N 0 3 272.392 2.098 10 0 CEAEHN CNC(=O)[C@H](N[C@@H](C)Cc1ccccc1F)C(C)C ZINC000188159190 369308236 /nfs/dbraw/zinc/30/82/36/369308236.db2.gz XEIYKDQMLKJFDS-SMDDNHRTSA-N 0 3 266.360 2.117 10 0 CEAEHN Cc1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000246512143 370971833 /nfs/dbraw/zinc/97/18/33/370971833.db2.gz QSDVWPOONQCNSA-RDJZCZTQSA-N 0 3 274.408 2.148 10 0 CEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2ccccn2)C1 ZINC000190483513 369628242 /nfs/dbraw/zinc/62/82/42/369628242.db2.gz OLSGFZKTRGEGGA-QGZVFWFLSA-N 0 3 296.418 2.431 10 0 CEAEHN CC(C)c1cnc(NC(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000192392985 369807823 /nfs/dbraw/zinc/80/78/23/369807823.db2.gz AITQTMKBCONMAZ-JTQLQIEISA-N 0 3 282.413 2.434 10 0 CEAEHN C[C@@H](N[C@@H](CN(C)C)c1ccccc1)c1ccnn1C ZINC000192246505 369784831 /nfs/dbraw/zinc/78/48/31/369784831.db2.gz HGNCJZKUANAEEI-HIFRSBDPSA-N 0 3 272.396 2.374 10 0 CEAEHN C[C@H](CNCc1cc(Cl)cs1)N1CCOCC1 ZINC000192994260 369880118 /nfs/dbraw/zinc/88/01/18/369880118.db2.gz RPNGOUGEWJXABZ-SNVBAGLBSA-N 0 3 274.817 2.212 10 0 CEAEHN CCCCOC[C@@H](O)CN(CC)Cc1ccccn1 ZINC000193251690 369911616 /nfs/dbraw/zinc/91/16/16/369911616.db2.gz YMFJOOZAMXLOGY-HNNXBMFYSA-N 0 3 266.385 2.081 10 0 CEAEHN C[C@@H]1CCC[C@H](CNC(=O)[C@@]2(C)CCCCN2)C1 ZINC000227694687 370379486 /nfs/dbraw/zinc/37/94/86/370379486.db2.gz LQJPWZZJVWPVOS-VNHYZAJKSA-N 0 3 252.402 2.461 10 0 CEAEHN CCN1CCN(c2ccc(NC(=O)C(C)C)cc2N)CC1 ZINC000226262980 370333101 /nfs/dbraw/zinc/33/31/01/370333101.db2.gz MRVPXSTUGKBEEL-UHFFFAOYSA-N 0 3 290.411 2.005 10 0 CEAEHN COc1cccc(Cl)c1CNC(=O)[C@@]1(C)CCCCN1 ZINC000234889736 370547226 /nfs/dbraw/zinc/54/72/26/370547226.db2.gz CTCVVPWTASUSRY-OAHLLOKOSA-N 0 3 296.798 2.497 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@H](C)Sc1ccccc1 ZINC000236873553 370644251 /nfs/dbraw/zinc/64/42/51/370644251.db2.gz RAZXZDVMKLBYMO-AAEUAGOBSA-N 0 3 266.410 2.411 10 0 CEAEHN CC(C)CCO[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000247025403 371048911 /nfs/dbraw/zinc/04/89/11/371048911.db2.gz GEMARPWYVSFXTA-ZNMIVQPWSA-N 0 3 282.428 2.133 10 0 CEAEHN CCS[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246886485 371025461 /nfs/dbraw/zinc/02/54/61/371025461.db2.gz DCQKQHKTNLHRCN-BFHYXJOUSA-N 0 3 299.484 2.396 10 0 CEAEHN C[C@@H](c1nc(C(C)(C)C)no1)N1CCN2CCC[C@H]2C1 ZINC000247002767 371044040 /nfs/dbraw/zinc/04/40/40/371044040.db2.gz BQBNYXFVOFQTNO-RYUDHWBXSA-N 0 3 278.400 2.208 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)COc2ccc(F)cc2)C1 ZINC000247405066 371104337 /nfs/dbraw/zinc/10/43/37/371104337.db2.gz RIOLAAGYPLMTOO-IUODEOHRSA-N 0 3 294.370 2.049 10 0 CEAEHN CSc1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247879103 371145184 /nfs/dbraw/zinc/14/51/84/371145184.db2.gz ZCFDHXIDGBGDKT-KGLIPLIRSA-N 0 3 294.464 2.295 10 0 CEAEHN CN(C)C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000248367581 371180051 /nfs/dbraw/zinc/18/00/51/371180051.db2.gz UEXVJIRXYAXGOS-XUWVNRHRSA-N 0 3 272.392 2.452 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CCO1 ZINC000248627366 371226071 /nfs/dbraw/zinc/22/60/71/371226071.db2.gz ZDYTWXXAVWBSPV-LVQVYYBASA-N 0 3 294.439 2.277 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2ccc3ccccc3n2)[C@H](C)C1 ZINC000249515055 371329475 /nfs/dbraw/zinc/32/94/75/371329475.db2.gz QDQLNZVTWKZKAW-CABCVRRESA-N 0 3 299.418 2.122 10 0 CEAEHN CC[C@@H]1CN(CCCc2ccccc2)CCN1C[C@H](C)O ZINC000252321822 371434693 /nfs/dbraw/zinc/43/46/93/371434693.db2.gz ZBRABSTWEOQQHE-FUHWJXTLSA-N 0 3 290.451 2.396 10 0 CEAEHN CCOc1ccc(OCCN2CC[C@@H](O)C[C@H]2C)cc1 ZINC000639940517 371690624 /nfs/dbraw/zinc/69/06/24/371690624.db2.gz GDDKIKJTLUMOCY-ZIAGYGMSSA-N 0 3 279.380 2.309 10 0 CEAEHN NC1(C(=O)NCCc2cccc3ccccc32)CCOCC1 ZINC000261673230 371698508 /nfs/dbraw/zinc/69/85/08/371698508.db2.gz CBDLSMCOZZJKHA-UHFFFAOYSA-N 0 3 298.386 2.006 10 0 CEAEHN Fc1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261873137 371756675 /nfs/dbraw/zinc/75/66/75/371756675.db2.gz DIBQVSNTSDHQTL-ZNMIVQPWSA-N 0 3 264.344 2.395 10 0 CEAEHN CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](N)[C@H](C)CC)C1(C)C ZINC000262650960 371891767 /nfs/dbraw/zinc/89/17/67/371891767.db2.gz WYFSNFONTFLJSQ-YVECIDJPSA-N 0 3 270.417 2.022 10 0 CEAEHN C[C@H](C(=O)Nc1ccnc2ccncc21)N1CCCCCC1 ZINC000333383788 205274318 /nfs/dbraw/zinc/27/43/18/205274318.db2.gz XUZUCCNYQGLFDE-CYBMUJFWSA-N 0 3 298.390 2.255 10 0 CEAEHN COC[C@]1(C(=O)Nc2cccc(Cl)c2C)CCCN1 ZINC000643614687 373221402 /nfs/dbraw/zinc/22/14/02/373221402.db2.gz HSWJHBYAQACWLX-AWEZNQCLSA-N 0 3 282.771 2.356 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CCC=CO1 ZINC000369330513 373389201 /nfs/dbraw/zinc/38/92/01/373389201.db2.gz MBQBVGCJOPCVNC-RBSFLKMASA-N 0 3 250.386 2.238 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)N1CCC(c2nccs2)CC1 ZINC000645870826 374235875 /nfs/dbraw/zinc/23/58/75/374235875.db2.gz DONHZQKGCWFQBF-GFCCVEGCSA-N 0 3 281.425 2.223 10 0 CEAEHN CN(C)[C@H]1CCN(c2ncc(C(F)(F)F)s2)C1 ZINC000276756593 374290412 /nfs/dbraw/zinc/29/04/12/374290412.db2.gz INMYHIGLPHJILU-ZETCQYMHSA-N 0 3 265.304 2.302 10 0 CEAEHN OC1CC(CNCc2ccsc2Br)C1 ZINC000389002246 375296347 /nfs/dbraw/zinc/29/63/47/375296347.db2.gz ZKNSTRDHHYQCQJ-UHFFFAOYSA-N 0 3 276.199 2.371 10 0 CEAEHN CCN1CCO[C@@H](CNCc2csc(C)c2C)C1 ZINC000399883871 375371087 /nfs/dbraw/zinc/37/10/87/375371087.db2.gz LVEIFTQQSQBHII-AWEZNQCLSA-N 0 3 268.426 2.175 10 0 CEAEHN COc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282165743 375418668 /nfs/dbraw/zinc/41/86/68/375418668.db2.gz DQAPPLDLPJWWIA-MISXGVKJSA-N 0 3 262.353 2.013 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cc2ccccc2o1 ZINC000282281968 375446529 /nfs/dbraw/zinc/44/65/29/375446529.db2.gz IHEMWJGSNIBMFM-MFKMUULPSA-N 0 3 258.321 2.190 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cc2ccccc2o1 ZINC000282281965 375446671 /nfs/dbraw/zinc/44/66/71/375446671.db2.gz IHEMWJGSNIBMFM-GXFFZTMASA-N 0 3 258.321 2.190 10 0 CEAEHN O[C@@]12CCCC[C@H]1CN(CCn1cc(Cl)cn1)CC2 ZINC000312899408 376732821 /nfs/dbraw/zinc/73/28/21/376732821.db2.gz LDNYFQDYLJCUMS-GXTWGEPZSA-N 0 3 283.803 2.164 10 0 CEAEHN CSCc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1F ZINC000174182065 249326179 /nfs/dbraw/zinc/32/61/79/249326179.db2.gz WGWPZCAKWXXVFX-CYBMUJFWSA-N 0 3 296.411 2.465 10 0 CEAEHN CC1CC(C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000520409460 379464211 /nfs/dbraw/zinc/46/42/11/379464211.db2.gz KSCWGHHDDUUCRB-ABIUDSBCSA-N 0 3 258.365 2.117 10 0 CEAEHN CCNCc1cc(F)ccc1N(CCO)C(C)C ZINC000042480271 184553413 /nfs/dbraw/zinc/55/34/13/184553413.db2.gz QJULHENCXZPWQK-UHFFFAOYSA-N 0 3 254.349 2.142 10 0 CEAEHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000040827395 184549934 /nfs/dbraw/zinc/54/99/34/184549934.db2.gz CGHMAIQMZIGHSN-GWCFXTLKSA-N 0 3 252.333 2.376 10 0 CEAEHN CCCOc1cccc([C@H]2[C@@H](CN)OCCN2CC)c1 ZINC000070287753 184571138 /nfs/dbraw/zinc/57/11/38/184571138.db2.gz PDOITJGAVQLFDY-CVEARBPZSA-N 0 3 278.396 2.196 10 0 CEAEHN COC(OC)[C@H](C)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000079606713 184595355 /nfs/dbraw/zinc/59/53/55/184595355.db2.gz OCJJFJSNTGORPW-QWRGUYRKSA-N 0 3 281.352 2.116 10 0 CEAEHN CC[C@H](C)N(C)S(=O)(=O)c1cc(CNC)cc(C)c1C ZINC000088949048 184614863 /nfs/dbraw/zinc/61/48/63/184614863.db2.gz IIRUOJUWWWZJGY-LBPRGKRZSA-N 0 3 298.452 2.442 10 0 CEAEHN COC(=O)[C@H](C)[C@H](C)N1CCC(C(F)(F)F)CC1 ZINC000093037329 184644331 /nfs/dbraw/zinc/64/43/31/184644331.db2.gz MJSCMAONPVWBGH-BDAKNGLRSA-N 0 3 267.291 2.458 10 0 CEAEHN CN(CC1CC1)[C@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710238 522632475 /nfs/dbraw/zinc/63/24/75/522632475.db2.gz CETZPVVJENVNDD-GFCCVEGCSA-N 0 3 258.287 2.446 10 0 CEAEHN CN1CCC(O)(c2cccc(Br)c2)CC1 ZINC000199774830 542369067 /nfs/dbraw/zinc/36/90/67/542369067.db2.gz LZPJXGUWERISDQ-UHFFFAOYSA-N 0 3 270.170 2.362 10 0 CEAEHN CC[C@H]1CN(C[C@H](O)COCc2ccccc2)CCCO1 ZINC000281277696 195177455 /nfs/dbraw/zinc/17/74/55/195177455.db2.gz GEZPPSYRFTXGST-IRXDYDNUSA-N 0 3 293.407 2.065 10 0 CEAEHN CCC[C@H](CS(=O)(=O)c1ccc(F)cc1)NCC ZINC000081921395 177895270 /nfs/dbraw/zinc/89/52/70/177895270.db2.gz CZULMZGLLZCTOU-GFCCVEGCSA-N 0 3 273.373 2.378 10 0 CEAEHN NC(=O)[C@@]1(NC2CC2)CC[C@H](OCC2CCCCC2)C1 ZINC000093847298 184732082 /nfs/dbraw/zinc/73/20/82/184732082.db2.gz WSQYRUHKOCXCJW-GOEBONIOSA-N 0 3 280.412 2.112 10 0 CEAEHN CCC[NH+](CCC)[C@@H]1CCC[C@@](NC)(C(=O)[O-])C1 ZINC000093749188 184712629 /nfs/dbraw/zinc/71/26/29/184712629.db2.gz QHMWZKPFOQBYIO-OCCSQVGLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCNc1ncc(CN(CC)[C@H](C)COC)s1 ZINC000094192676 184761194 /nfs/dbraw/zinc/76/11/94/184761194.db2.gz IKXZHSPEPNLVLP-SNVBAGLBSA-N 0 3 257.403 2.432 10 0 CEAEHN CCCNCc1ccc(OCC(C)(C)C(=O)OC)cn1 ZINC000094210216 184763414 /nfs/dbraw/zinc/76/34/14/184763414.db2.gz VFVLYFHTEQBRIR-UHFFFAOYSA-N 0 3 280.368 2.159 10 0 CEAEHN CC[C@@](C)(N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000094234683 184767426 /nfs/dbraw/zinc/76/74/26/184767426.db2.gz GFQXOOLPJDKLOG-CYBMUJFWSA-N 0 3 254.761 2.426 10 0 CEAEHN CCNCc1cn([C@@H]2CCOC3(CCOCC3)C2)nc1C ZINC000094414624 184794431 /nfs/dbraw/zinc/79/44/31/184794431.db2.gz NUDXSJWFEVKOMY-OAHLLOKOSA-N 0 3 293.411 2.202 10 0 CEAEHN CC(C)C1(O)CN([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094411150 184794562 /nfs/dbraw/zinc/79/45/62/184794562.db2.gz XBIYHVYYXWVIRO-CYBMUJFWSA-N 0 3 285.453 2.134 10 0 CEAEHN CN[C@@H](CCN1CCOC[C@@H]1C)c1cc(F)cc(F)c1 ZINC000094830221 184875866 /nfs/dbraw/zinc/87/58/66/184875866.db2.gz YIIJMYBKHOYNNX-NHYWBVRUSA-N 0 3 284.350 2.336 10 0 CEAEHN CN[C@@H](C)c1cc(F)ccc1O[C@H](C)C(=O)NC(C)C ZINC000094619081 184827026 /nfs/dbraw/zinc/82/70/26/184827026.db2.gz DTQQSHHDPANQDQ-WDEREUQCSA-N 0 3 282.359 2.398 10 0 CEAEHN Cc1c(N)cccc1NC(=O)[C@@H](C)SCCN(C)C ZINC000095020203 184917258 /nfs/dbraw/zinc/91/72/58/184917258.db2.gz UUKNFZWRCMFCTR-LLVKDONJSA-N 0 3 281.425 2.199 10 0 CEAEHN Cc1cc(F)ccc1CCNCC(=O)N(C)C(C)C ZINC000094954847 184902335 /nfs/dbraw/zinc/90/23/35/184902335.db2.gz YIOBRIJGPUIZEM-UHFFFAOYSA-N 0 3 266.360 2.133 10 0 CEAEHN NC(=S)CCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000037296259 134838620 /nfs/dbraw/zinc/83/86/20/134838620.db2.gz PJQWVULRZFEFGM-UHFFFAOYSA-N 0 3 283.828 2.138 10 0 CEAEHN CCNC[C@H](C)S(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000088914936 135057627 /nfs/dbraw/zinc/05/76/27/135057627.db2.gz BRKVEFLAEAPNPL-STQMWFEESA-N 0 3 296.436 2.156 10 0 CEAEHN C[C@@H](N)c1c(F)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906391 135065927 /nfs/dbraw/zinc/06/59/27/135065927.db2.gz RWJFAJHUJIOGOE-MXWKQRLJSA-N 0 3 250.317 2.213 10 0 CEAEHN CC(C)CNCc1cccc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090907734 135066815 /nfs/dbraw/zinc/06/68/15/135066815.db2.gz MGQCNTIMIHYDSV-GASCZTMLSA-N 0 3 275.396 2.195 10 0 CEAEHN Cc1cc(N2CCO[C@@H](C(N)=S)C2)c2ccccc2n1 ZINC000093934982 135082792 /nfs/dbraw/zinc/08/27/92/135082792.db2.gz IOGYWCCSDVXQAJ-CQSZACIVSA-N 0 3 287.388 2.035 10 0 CEAEHN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2N)cc1 ZINC000032629468 394489268 /nfs/dbraw/zinc/48/92/68/394489268.db2.gz GYKPRYVYGWAFFY-QWHCGFSZSA-N 0 3 253.367 2.039 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H](C)[C@@H]2C)C1 ZINC000246729058 394520860 /nfs/dbraw/zinc/52/08/60/394520860.db2.gz ALQGFDPVYOBAIL-MQYQWHSLSA-N 0 3 267.417 2.155 10 0 CEAEHN CCCCOC[C@H](O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000248658962 394545120 /nfs/dbraw/zinc/54/51/20/394545120.db2.gz UNQVVJNNFXXLSB-CABCVRRESA-N 0 3 281.400 2.114 10 0 CEAEHN CCc1nc(CN(C)C(=O)[C@H](N)[C@H](C)CC)cs1 ZINC000328505054 394552619 /nfs/dbraw/zinc/55/26/19/394552619.db2.gz ZGVDMWBLZUETFI-BXKDBHETSA-N 0 3 269.414 2.037 10 0 CEAEHN C[C@@H]1CCN[C@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000335600314 394780820 /nfs/dbraw/zinc/78/08/20/394780820.db2.gz IXUDXEAUYTZOKE-YPMHNXCESA-N 0 3 293.436 2.237 10 0 CEAEHN Cc1nnc([C@H](C)N2CCN3CCCC[C@@H]3C2)s1 ZINC000338273960 394910064 /nfs/dbraw/zinc/91/00/64/394910064.db2.gz HZCKHQJGEZVNAO-CMPLNLGQSA-N 0 3 266.414 2.078 10 0 CEAEHN CC(C)(C)OC(=O)NCc1ccc(CN)c(F)c1 ZINC000384074908 395188793 /nfs/dbraw/zinc/18/87/93/395188793.db2.gz PXMAERVCPKJVEN-UHFFFAOYSA-N 0 3 254.305 2.309 10 0 CEAEHN CCOC(=O)[C@H](CC(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000181015906 395207794 /nfs/dbraw/zinc/20/77/94/395207794.db2.gz RUMJIFABNKOOTC-SOUVJXGZSA-N 0 3 284.444 2.283 10 0 CEAEHN Cc1cc([C@@H](C)NC[C@@H]2CN(C)CCO2)cs1 ZINC000294212902 395269323 /nfs/dbraw/zinc/26/93/23/395269323.db2.gz MRZAOLDPFSFYEM-DGCLKSJQSA-N 0 3 254.399 2.038 10 0 CEAEHN C=Cn1cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cn1 ZINC000193988859 395420769 /nfs/dbraw/zinc/42/07/69/395420769.db2.gz TYSXZUSKWCVRFN-CABCVRRESA-N 0 3 261.369 2.111 10 0 CEAEHN CCOC1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000194152664 395426748 /nfs/dbraw/zinc/42/67/48/395426748.db2.gz NCXAKJAPCUQXOW-CQSZACIVSA-N 0 3 299.459 2.173 10 0 CEAEHN C1CCCC(c2noc([C@@H]3CNCCOC3)n2)CC1 ZINC000647121453 396413157 /nfs/dbraw/zinc/41/31/57/396413157.db2.gz HZEAFUFCZSUURZ-GFCCVEGCSA-N 0 3 265.357 2.211 10 0 CEAEHN CC[C@H]1CN(c2ccnc(Cl)c2)CCN1C[C@@H](C)O ZINC000125497282 400278637 /nfs/dbraw/zinc/27/86/37/400278637.db2.gz DLMYRKGHPNCTPW-NEPJUHHUSA-N 0 3 283.803 2.016 10 0 CEAEHN C[C@@H](COCc1ccccc1)NC[C@H](O)C(F)(F)F ZINC000390693237 400540472 /nfs/dbraw/zinc/54/04/72/400540472.db2.gz BCQMRNGZBWMJNQ-JQWIXIFHSA-N 0 3 277.286 2.105 10 0 CEAEHN CC(C)c1nc2n(n1)C[C@H](NCc1ccc(F)nc1)CC2 ZINC000189071887 153079614 /nfs/dbraw/zinc/07/96/14/153079614.db2.gz YNAFCDUVAYGPCS-GFCCVEGCSA-N 0 3 289.358 2.040 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCN2CCSCC2)c1C ZINC000223476395 153317020 /nfs/dbraw/zinc/31/70/20/153317020.db2.gz JVVVNNXWOYKKKE-LBPRGKRZSA-N 0 3 296.484 2.219 10 0 CEAEHN CNCc1cccc(NC(=O)c2cnc(C)s2)c1 ZINC000226206544 153333331 /nfs/dbraw/zinc/33/33/31/153333331.db2.gz GWKNBTVJEBQPKN-UHFFFAOYSA-N 0 3 261.350 2.423 10 0 CEAEHN CCCCN(CCCC)C(=O)CN1CC[C@H](CCO)C1 ZINC000227568687 153347270 /nfs/dbraw/zinc/34/72/70/153347270.db2.gz MLKBJNVUEBZGKS-OAHLLOKOSA-N 0 3 284.444 2.120 10 0 CEAEHN OCC[C@H]1CCN(CCOc2ccc(Cl)cc2)C1 ZINC000227569017 153347856 /nfs/dbraw/zinc/34/78/56/153347856.db2.gz CDKJVHZZFROEDU-GFCCVEGCSA-N 0 3 269.772 2.423 10 0 CEAEHN CC(C)CC1(CNC(=O)[C@@H](N)C2CCOCC2)CCC1 ZINC000261742595 153827322 /nfs/dbraw/zinc/82/73/22/153827322.db2.gz DKFJKNFCVUCZKV-AWEZNQCLSA-N 0 3 282.428 2.073 10 0 CEAEHN COC[C@H](C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000262953865 153998442 /nfs/dbraw/zinc/99/84/42/153998442.db2.gz JFUBNMUYKGCMRZ-QMMMGPOBSA-N 0 3 290.285 2.385 10 0 CEAEHN Cc1ccccc1/C=C/c1nc([C@H]2CNCCN2C)no1 ZINC000263303454 154052653 /nfs/dbraw/zinc/05/26/53/154052653.db2.gz XKHHOQWKNOIONV-HSBSLETESA-N 0 3 284.363 2.125 10 0 CEAEHN CC(C)C(C[NH+]1CCC(N(C)CC(=O)[O-])CC1)C(C)C ZINC000263483702 154095785 /nfs/dbraw/zinc/09/57/85/154095785.db2.gz GWDLEOIHLLUSHA-UHFFFAOYSA-N 0 3 284.444 2.395 10 0 CEAEHN C[C@H](CCC1CC1)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263467830 154098744 /nfs/dbraw/zinc/09/87/44/154098744.db2.gz CZOGWYUQLKXUCX-UWTIGNOOSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H](CCC1CC1)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263467830 154098749 /nfs/dbraw/zinc/09/87/49/154098749.db2.gz CZOGWYUQLKXUCX-UWTIGNOOSA-N 0 3 294.439 2.482 10 0 CEAEHN c1csc(C2CCN(CCC3OCCO3)CC2)n1 ZINC000368390101 156334471 /nfs/dbraw/zinc/33/44/71/156334471.db2.gz MYKYQFVJDKHUQS-UHFFFAOYSA-N 0 3 268.382 2.086 10 0 CEAEHN Cc1nc(CN2CCN3CCC[C@@H]3C2)nc2ccccc12 ZINC000170970468 162377055 /nfs/dbraw/zinc/37/70/55/162377055.db2.gz GGBFKSQCUNATPD-CQSZACIVSA-N 0 3 282.391 2.218 10 0 CEAEHN Fc1cccc(OCCN2CCC[C@@H](n3cncn3)C2)c1 ZINC000171705746 162387074 /nfs/dbraw/zinc/38/70/74/162387074.db2.gz FNPVTOZAJFBZRW-CQSZACIVSA-N 0 3 290.342 2.133 10 0 CEAEHN CCCCC[C@H](C)CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173521555 165073060 /nfs/dbraw/zinc/07/30/60/165073060.db2.gz GGRKHRICKCQWLV-LSDHHAIUSA-N 0 3 284.444 2.382 10 0 CEAEHN c1coc([C@H]2CCCN2CCCN2CCOCC2)c1 ZINC000173653081 165080069 /nfs/dbraw/zinc/08/00/69/165080069.db2.gz NKDVHMSUSCNOHM-CQSZACIVSA-N 0 3 264.369 2.139 10 0 CEAEHN CO[C@@H](C)c1nc(CN2CCN3CCC[C@@H]3C2)cs1 ZINC000175206793 165130515 /nfs/dbraw/zinc/13/05/15/165130515.db2.gz NPKFHWDZTMYHAF-WCQYABFASA-N 0 3 281.425 2.131 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000175344985 165133551 /nfs/dbraw/zinc/13/35/51/165133551.db2.gz QEDKHMLKNAQYPI-XHSDSOJGSA-N 0 3 295.471 2.192 10 0 CEAEHN CCC(CC)CS(=O)(=O)N(C)C[C@H]1CCCN1CC ZINC000175398105 165134009 /nfs/dbraw/zinc/13/40/09/165134009.db2.gz OGLLYSZANSPYJT-CQSZACIVSA-N 0 3 290.473 2.169 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCCc2csc(C)n2)C1 ZINC000176267247 165160593 /nfs/dbraw/zinc/16/05/93/165160593.db2.gz VXDMAWJUJHBLKH-CYBMUJFWSA-N 0 3 295.452 2.375 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCCCSC ZINC000176993135 165180908 /nfs/dbraw/zinc/18/09/08/165180908.db2.gz HOYFPTAYIZVXOU-CYBMUJFWSA-N 0 3 272.458 2.462 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC[C@@H](C)N2CCOCC2)s1 ZINC000177730731 165206958 /nfs/dbraw/zinc/20/69/58/165206958.db2.gz DOWWGTZAKYAGQO-GHMZBOCLSA-N 0 3 283.441 2.131 10 0 CEAEHN CC(C)CSCCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000178957106 165264195 /nfs/dbraw/zinc/26/41/95/165264195.db2.gz AHXGYOSUIUXOEG-CQSZACIVSA-N 0 3 299.484 2.255 10 0 CEAEHN COc1ccc(Cl)cc1[C@@H](C)NC[C@H]1CN(C)CCO1 ZINC000180489330 165311841 /nfs/dbraw/zinc/31/18/41/165311841.db2.gz STEQOJKDBFYWIW-YPMHNXCESA-N 0 3 298.814 2.330 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccco1)CC2 ZINC000180628323 165317037 /nfs/dbraw/zinc/31/70/37/165317037.db2.gz XHFXVASGRUIRRE-QWRGUYRKSA-N 0 3 260.341 2.099 10 0 CEAEHN C[C@@H](c1ccccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000246938298 287151511 /nfs/dbraw/zinc/15/15/11/287151511.db2.gz JXXJNLZYMSGHHO-UONOGXRCSA-N 0 3 278.371 2.293 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000245897889 287223259 /nfs/dbraw/zinc/22/32/59/287223259.db2.gz SVQQJGFBQCUSSH-KQTLUZQSSA-N 0 3 292.423 2.077 10 0 CEAEHN O=C(Nc1cc([O-])c2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000006118037 170177010 /nfs/dbraw/zinc/17/70/10/170177010.db2.gz KMQNGXDZQAILQD-ZDUSSCGKSA-N 0 3 256.305 2.236 10 0 CEAEHN CCOC(=O)N[C@@H](CN)c1c(C)cc(C)cc1C ZINC000019414345 170790711 /nfs/dbraw/zinc/79/07/11/170790711.db2.gz SCPKEXCVDDYJCE-LBPRGKRZSA-N 0 3 250.342 2.358 10 0 CEAEHN Cc1nn(C)c(C)c1CN[C@H](CN(C)C)c1ccccc1 ZINC000020129448 171017792 /nfs/dbraw/zinc/01/77/92/171017792.db2.gz QIEDTQRHYYHCCA-QGZVFWFLSA-N 0 3 286.423 2.429 10 0 CEAEHN CC(=O)NCCN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000020148870 171037056 /nfs/dbraw/zinc/03/70/56/171037056.db2.gz ULEDPZWKCCXFHR-SECBINFHSA-N 0 3 274.286 2.492 10 0 CEAEHN CN(c1ccccc1)S(=O)(=O)c1cc(CN)ccc1F ZINC000020188942 171054697 /nfs/dbraw/zinc/05/46/97/171054697.db2.gz UOOUUFUASSWSMK-UHFFFAOYSA-N 0 3 294.351 2.110 10 0 CEAEHN CCN(CC)[C@@H](CN[C@@H](C)C(=O)N(C)C)c1ccccc1 ZINC000020310087 171144270 /nfs/dbraw/zinc/14/42/70/171144270.db2.gz MIOGQSKCSIKGEG-HOCLYGCPSA-N 0 3 291.439 2.136 10 0 CEAEHN C[C@@H](NCCCN(C)c1ccccc1)C(=O)NC(C)(C)C ZINC000020361864 171160433 /nfs/dbraw/zinc/16/04/33/171160433.db2.gz BOPOBICTUDDGRR-CQSZACIVSA-N 0 3 291.439 2.406 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)NCCc1ccc(F)cc1 ZINC000020364477 171162699 /nfs/dbraw/zinc/16/26/99/171162699.db2.gz MLDOLKLFKIYOJX-LBPRGKRZSA-N 0 3 266.360 2.215 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@@H](C)NCCc1ccc(OC)cc1 ZINC000020364308 171163121 /nfs/dbraw/zinc/16/31/21/171163121.db2.gz KUOUCYDEYRDUDK-CHWSQXEVSA-N 0 3 278.396 2.131 10 0 CEAEHN COC(=O)C[C@@H](N)c1ccc2cc(OC)ccc2c1 ZINC000020577580 171256167 /nfs/dbraw/zinc/25/61/67/171256167.db2.gz BVHYAJDCFDZKTA-CQSZACIVSA-N 0 3 259.305 2.411 10 0 CEAEHN COC(=O)C[C@H](N)c1ccccc1Br ZINC000020577466 171256356 /nfs/dbraw/zinc/25/63/56/171256356.db2.gz IJWZWRXYCPBAGA-VIFPVBQESA-N 0 3 258.115 2.012 10 0 CEAEHN C[C@@H]1CN([C@H](CN)c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000022168387 171366852 /nfs/dbraw/zinc/36/68/52/171366852.db2.gz CFVQXHGAFNUKCZ-GPCCPHFNSA-N 0 3 270.323 2.074 10 0 CEAEHN NCc1ccccc1NC(=O)COc1ccccc1 ZINC000022176122 171370435 /nfs/dbraw/zinc/37/04/35/171370435.db2.gz SWCAEVDQMYGHMI-UHFFFAOYSA-N 0 3 256.305 2.163 10 0 CEAEHN NCc1cccc(NC(=O)COc2ccc(F)cc2)c1 ZINC000022215408 171375394 /nfs/dbraw/zinc/37/53/94/171375394.db2.gz ASBKVAUCWXDHCZ-UHFFFAOYSA-N 0 3 274.295 2.302 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)N1CCCC1 ZINC000035180661 172034016 /nfs/dbraw/zinc/03/40/16/172034016.db2.gz DTFBXTVMGWKHID-IUODEOHRSA-N 0 3 258.365 2.274 10 0 CEAEHN C[C@@H](NCCC(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000035216586 172057907 /nfs/dbraw/zinc/05/79/07/172057907.db2.gz YMBYLOMZEZGMRJ-MRVPVSSYSA-N 0 3 260.259 2.231 10 0 CEAEHN CNCc1c(N2CCCCCC2)nc2sccn12 ZINC000035429701 172197956 /nfs/dbraw/zinc/19/79/56/172197956.db2.gz FTPUNBFGKYZFNY-UHFFFAOYSA-N 0 3 264.398 2.496 10 0 CEAEHN CC[C@@H](C)CN(C)c1nc2sccn2c1CN ZINC000035430273 172198905 /nfs/dbraw/zinc/19/89/05/172198905.db2.gz KTTIQAYRQLSQGY-SECBINFHSA-N 0 3 252.387 2.337 10 0 CEAEHN CN[C@H](c1cnn(C)c1)c1cccc(Br)c1 ZINC000035500092 172234157 /nfs/dbraw/zinc/23/41/57/172234157.db2.gz ZMAXOHNITGKXPQ-LBPRGKRZSA-N 0 3 280.169 2.491 10 0 CEAEHN Nc1ccc2nc(CCSc3nncs3)[nH]c2c1 ZINC000035659201 172335883 /nfs/dbraw/zinc/33/58/83/172335883.db2.gz OXPRMWQQNNZDHV-UHFFFAOYSA-N 0 3 277.378 2.331 10 0 CEAEHN N[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000035679605 172350394 /nfs/dbraw/zinc/35/03/94/172350394.db2.gz LREFEKIDGXPZSE-ZCFIWIBFSA-N 0 3 278.661 2.423 10 0 CEAEHN CN[C@@H]1c2cccc(Cl)c2S(=O)(=O)C[C@@H]1C ZINC000035761279 172399197 /nfs/dbraw/zinc/39/91/97/172399197.db2.gz WVNXRWIUNKBVDK-XVKPBYJWSA-N 0 3 259.758 2.024 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc(Cl)c2)[C@H](C)CO1 ZINC000035783363 172416037 /nfs/dbraw/zinc/41/60/37/172416037.db2.gz OXTRZDBLRGHIRY-GYSYKLTISA-N 0 3 268.788 2.449 10 0 CEAEHN CCCCN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037197939 173024879 /nfs/dbraw/zinc/02/48/79/173024879.db2.gz PYNIEVOXSBMRAO-GFCCVEGCSA-N 0 3 253.367 2.295 10 0 CEAEHN Cc1csc2nc(C)c(CNC[C@@H]3CCCO3)n12 ZINC000037215145 173035283 /nfs/dbraw/zinc/03/52/83/173035283.db2.gz LIFOHQPFWURNKK-NSHDSACASA-N 0 3 265.382 2.281 10 0 CEAEHN CC(C)C(=O)NCCN[C@@H]1CSCc2ccccc21 ZINC000037220191 173038446 /nfs/dbraw/zinc/03/84/46/173038446.db2.gz CTTYASBPFQLYED-CQSZACIVSA-N 0 3 278.421 2.336 10 0 CEAEHN NC[C@H](c1cc(F)ccc1F)N1CCSCC1 ZINC000037233560 173052308 /nfs/dbraw/zinc/05/23/08/173052308.db2.gz RMFAIGOYBDJDBN-GFCCVEGCSA-N 0 3 258.337 2.013 10 0 CEAEHN CN1CCC(NC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000037249196 173061091 /nfs/dbraw/zinc/06/10/91/173061091.db2.gz ZDBPPJGHGATYAT-UHFFFAOYSA-N 0 3 288.178 2.212 10 0 CEAEHN NC(=O)c1ccc(CNCC2CCCC2)c(F)c1 ZINC000037258527 173069215 /nfs/dbraw/zinc/06/92/15/173069215.db2.gz VXUXQINUGBISCD-UHFFFAOYSA-N 0 3 250.317 2.204 10 0 CEAEHN CN(Cc1nc2ccc(N)cc2[nH]1)[C@@H]1CCSC1 ZINC000037273577 173085874 /nfs/dbraw/zinc/08/58/74/173085874.db2.gz QAUFISWDWCZONC-SNVBAGLBSA-N 0 3 262.382 2.082 10 0 CEAEHN CN1CCN([C@@H](CN)c2cc(Cl)cc(Cl)c2)CC1 ZINC000037424731 173199234 /nfs/dbraw/zinc/19/92/34/173199234.db2.gz ODJIGESKLYSESE-ZDUSSCGKSA-N 0 3 288.222 2.241 10 0 CEAEHN N[C@@H](Cc1ccc(Br)cc1)c1cnccn1 ZINC000037467116 173226444 /nfs/dbraw/zinc/22/64/44/173226444.db2.gz JQIMSWTZSOQTRM-NSHDSACASA-N 0 3 278.153 2.482 10 0 CEAEHN O[C@H]1CCCC[C@@H]1N1CCN(Cc2ccccc2)CC1 ZINC000037490603 173232142 /nfs/dbraw/zinc/23/21/42/173232142.db2.gz RHZYYYBROVMBMN-IRXDYDNUSA-N 0 3 274.408 2.108 10 0 CEAEHN CCOCc1ccccc1CN[C@H](C)CC(=O)OC ZINC000037762454 173689237 /nfs/dbraw/zinc/68/92/37/173689237.db2.gz UODAYNFQPMAAEQ-GFCCVEGCSA-N 0 3 265.353 2.264 10 0 CEAEHN CCn1c(CN[C@H]2CCC[C@H](O)C2)nc2ccccc21 ZINC000038046839 174055745 /nfs/dbraw/zinc/05/57/45/174055745.db2.gz IJQFWKJZEICZEN-STQMWFEESA-N 0 3 273.380 2.449 10 0 CEAEHN CC[C@@H](C)N[C@H](C(N)=O)c1ccc(SC)cc1 ZINC000038064830 174075515 /nfs/dbraw/zinc/07/55/15/174075515.db2.gz LUBFCEQDPUQYNG-SKDRFNHKSA-N 0 3 252.383 2.323 10 0 CEAEHN Cc1ccc([C@@H](C)NC[C@H](O)COCc2ccco2)o1 ZINC000038097797 174111977 /nfs/dbraw/zinc/11/19/77/174111977.db2.gz NZDRCWATSFKIKY-OLZOCXBDSA-N 0 3 279.336 2.409 10 0 CEAEHN COc1cc(C)ccc1NC(=O)[C@@H](N)CCSC ZINC000040464325 174273851 /nfs/dbraw/zinc/27/38/51/174273851.db2.gz DHALHZGOPCRXMX-JTQLQIEISA-N 0 3 268.382 2.023 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000040490595 174291843 /nfs/dbraw/zinc/29/18/43/174291843.db2.gz XNJJVRQCZJEEQE-RULNRJAQSA-N 0 3 284.350 2.385 10 0 CEAEHN CC(C)OC[C@@H](O)CNCc1cc2c(s1)CCC2 ZINC000040626848 174357041 /nfs/dbraw/zinc/35/70/41/174357041.db2.gz RXIDZNIILQRTAV-LBPRGKRZSA-N 0 3 269.410 2.112 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccccc2OCC(C)C)C1 ZINC000040634342 174360445 /nfs/dbraw/zinc/36/04/45/174360445.db2.gz AATNXALPLWFROP-OCCSQVGLSA-N 0 3 292.379 2.037 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3cc(F)ccc3F)c[nH]2)C1 ZINC000040637688 174361668 /nfs/dbraw/zinc/36/16/68/174361668.db2.gz OPOYRNCUJVZWEG-JOYOIKCWSA-N 0 3 279.290 2.404 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3cccc(F)c3)c[nH]2)C1 ZINC000040637739 174361828 /nfs/dbraw/zinc/36/18/28/174361828.db2.gz VGJQQVWRFLABDW-VXGBXAGGSA-N 0 3 261.300 2.265 10 0 CEAEHN CCOC(=O)C[C@H](N)c1cccc(OC(C)C)c1 ZINC000040641125 174364479 /nfs/dbraw/zinc/36/44/79/174364479.db2.gz ASWSHALRGABUNP-ZDUSSCGKSA-N 0 3 251.326 2.427 10 0 CEAEHN CCOC1CCN(c2c(CNC(C)C)c(C)nn2C)CC1 ZINC000040689844 174376495 /nfs/dbraw/zinc/37/64/95/174376495.db2.gz CSWYEMNIAGFFMG-UHFFFAOYSA-N 0 3 294.443 2.232 10 0 CEAEHN COc1ccc([C@H](CN)N2CC[C@@H](C)C2)c(OC)c1 ZINC000040717464 174384947 /nfs/dbraw/zinc/38/49/47/174384947.db2.gz VDUZORXIZVXFNG-RISCZKNCSA-N 0 3 264.369 2.045 10 0 CEAEHN Cc1nn([C@@H]2COc3ccccc3[C@@H]2N)c(C)c1C ZINC000040729829 174388445 /nfs/dbraw/zinc/38/84/45/174388445.db2.gz FAKCXUPJEMFVNN-HIFRSBDPSA-N 0 3 257.337 2.442 10 0 CEAEHN CCNCc1ccc(OC)cc1O[C@H](C)C(=O)NC(C)C ZINC000040903713 174429749 /nfs/dbraw/zinc/42/97/49/174429749.db2.gz JUVIIIQTTIZBOU-GFCCVEGCSA-N 0 3 294.395 2.097 10 0 CEAEHN CCOc1ccc(C(C)=O)cc1CN1CC[C@@H](N(C)C)C1 ZINC000062966681 414758723 /nfs/dbraw/zinc/75/87/23/414758723.db2.gz KATKOGYJKKRXIQ-MRXNPFEDSA-N 0 3 290.407 2.424 10 0 CEAEHN CCOC(=O)COC[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000041071937 174471011 /nfs/dbraw/zinc/47/10/11/174471011.db2.gz HFJVFJWYUMJQRK-OAHLLOKOSA-N 0 3 279.380 2.465 10 0 CEAEHN CN(C(=O)CCC1CCCC1)[C@@H](CN)C(F)(F)F ZINC000662978670 414817194 /nfs/dbraw/zinc/81/71/94/414817194.db2.gz QZEZZVFGFXWJCA-JTQLQIEISA-N 0 3 266.307 2.305 10 0 CEAEHN Cc1cc(F)ccc1C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662985687 414819805 /nfs/dbraw/zinc/81/98/05/414819805.db2.gz YDUXPHUQCRFNCG-SNVBAGLBSA-N 0 3 278.249 2.096 10 0 CEAEHN O=C1NCC[C@H]1NCc1cc(-c2ccccc2)cs1 ZINC000657525783 414987301 /nfs/dbraw/zinc/98/73/01/414987301.db2.gz VQNYPKIHFOBESM-CQSZACIVSA-N 0 3 272.373 2.393 10 0 CEAEHN C[C@]1(C2CC2)CN(C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC000661172005 415122042 /nfs/dbraw/zinc/12/20/42/415122042.db2.gz PVVRXRLLNZEBEE-NWANDNLSSA-N 0 3 253.386 2.038 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043301109 175001902 /nfs/dbraw/zinc/00/19/02/175001902.db2.gz BVBMGSQEISGMDC-DZGCQCFKSA-N 0 3 281.421 2.389 10 0 CEAEHN COc1ccc([O-])c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000043334179 175010546 /nfs/dbraw/zinc/01/05/46/175010546.db2.gz JZNPRTGXHWSJEO-GFCCVEGCSA-N 0 3 294.395 2.107 10 0 CEAEHN CC[C@H](N)[C@H](c1ccco1)N(CCOC)C1CC1 ZINC000043335871 175011482 /nfs/dbraw/zinc/01/14/82/175011482.db2.gz JCCZPOOGWGARDY-GXTWGEPZSA-N 0 3 252.358 2.169 10 0 CEAEHN Cc1ncsc1CCO[C@@H](CN)c1ccco1 ZINC000043337291 175012836 /nfs/dbraw/zinc/01/28/36/175012836.db2.gz PNYRTOIVSBFPAB-NSHDSACASA-N 0 3 252.339 2.304 10 0 CEAEHN NC[C@@H](Oc1ccc(F)c(F)c1)c1ccccn1 ZINC000043343794 175016283 /nfs/dbraw/zinc/01/62/83/175016283.db2.gz HYHPJVIKZBLQJF-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN CCOC1CCN([C@H](c2ccc(C)o2)[C@@H](C)N)CC1 ZINC000043364573 175025972 /nfs/dbraw/zinc/02/59/72/175025972.db2.gz RFKZRUJECSQEGH-DOMZBBRYSA-N 0 3 266.385 2.477 10 0 CEAEHN CN[C@@H](c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043389106 175033222 /nfs/dbraw/zinc/03/32/22/175033222.db2.gz UBFWWMZWYDNIHD-SKDRFNHKSA-N 0 3 291.775 2.174 10 0 CEAEHN CN[C@@H](CN1C[C@H](C)O[C@@H](C)C1)c1ccccc1OC ZINC000043811292 175110103 /nfs/dbraw/zinc/11/01/03/175110103.db2.gz WJHHLMJMXVRNBD-YDHLFZDLSA-N 0 3 278.396 2.065 10 0 CEAEHN CN[C@@H](CN1C[C@H](C)O[C@@H](C)C1)c1ccc(OC)cc1 ZINC000043811326 175110123 /nfs/dbraw/zinc/11/01/23/175110123.db2.gz JQYVHSFZDLKNJH-XEZPLFJOSA-N 0 3 278.396 2.065 10 0 CEAEHN CCN(C[C@@H](NC)c1cc(OC)ccc1OC)C1CC1 ZINC000043821373 175114422 /nfs/dbraw/zinc/11/44/22/175114422.db2.gz QZIYZPQYQLQQCF-OAHLLOKOSA-N 0 3 278.396 2.449 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966481 175127745 /nfs/dbraw/zinc/12/77/45/175127745.db2.gz YBKHZTAMBXGAPF-JLJPHGGASA-N 0 3 290.407 2.209 10 0 CEAEHN CCN(C[C@H]1CCCO1)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043966812 175128111 /nfs/dbraw/zinc/12/81/11/175128111.db2.gz XXOHOWAIUZKHMY-UNEWFSDZSA-N 0 3 290.407 2.209 10 0 CEAEHN CCCN[C@@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)COC ZINC000043969535 175130682 /nfs/dbraw/zinc/13/06/82/175130682.db2.gz ONJLETLKZPEUNQ-YSVLISHTSA-N 0 3 292.423 2.455 10 0 CEAEHN CCOc1ccccc1[C@@H](CN(CCOC)C1CC1)NC ZINC000043969745 175131143 /nfs/dbraw/zinc/13/11/43/175131143.db2.gz SMCDMDKETULANK-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN C[C@@H](NC(=O)[C@H](CN)Cc1ccccc1)c1ccncc1 ZINC000044801138 175255386 /nfs/dbraw/zinc/25/53/86/175255386.db2.gz ZXXZBZSTUIDPML-CJNGLKHVSA-N 0 3 283.375 2.076 10 0 CEAEHN C[C@H](NC(=O)[C@H](CN)Cc1ccccc1)c1ccco1 ZINC000044801380 175255549 /nfs/dbraw/zinc/25/55/49/175255549.db2.gz DJRZSPISJIIOGR-JSGCOSHPSA-N 0 3 272.348 2.274 10 0 CEAEHN C[C@H](NC(=O)[C@@H](CN)Cc1ccccc1)c1ccccn1 ZINC000044801184 175255841 /nfs/dbraw/zinc/25/58/41/175255841.db2.gz YVFMJNVWHAAFKD-DZGCQCFKSA-N 0 3 283.375 2.076 10 0 CEAEHN CNC(=O)CCN[C@@H]1CCc2cc(Br)ccc21 ZINC000044990477 175286401 /nfs/dbraw/zinc/28/64/01/175286401.db2.gz KCRDANGJXPCMKC-GFCCVEGCSA-N 0 3 297.196 2.162 10 0 CEAEHN COC(=O)[C@](CN1CCCC1)(NC(C)C)c1ccccc1 ZINC000045225723 175332985 /nfs/dbraw/zinc/33/29/85/175332985.db2.gz QFFIKRHNRNXYOQ-QGZVFWFLSA-N 0 3 290.407 2.149 10 0 CEAEHN CCN[C@](C)(CCN1CCCC[C@@H]1C)C(=O)OCC ZINC000045227089 175333400 /nfs/dbraw/zinc/33/34/00/175333400.db2.gz NIUKCZJDSXODCD-DZGCQCFKSA-N 0 3 270.417 2.182 10 0 CEAEHN COC(=O)[C@](C)(CCN1CCCC[C@@H]1C)NC(C)C ZINC000045227118 175333606 /nfs/dbraw/zinc/33/36/06/175333606.db2.gz MWJVJIQNXNOJFT-ZFWWWQNUSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCN[C@](C)(CN1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045231791 175335375 /nfs/dbraw/zinc/33/53/75/175335375.db2.gz LXFMOCCIWZLESK-VNHYZAJKSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCCCN(C)C[C@](NCC)(C(N)=O)c1ccccc1 ZINC000045268082 175339624 /nfs/dbraw/zinc/33/96/24/175339624.db2.gz OIZOSZJKUVUGLC-QGZVFWFLSA-N 0 3 291.439 2.099 10 0 CEAEHN CCN[C@@](C)(CN1CCC[C@@H](CC)C1)C(=O)OCC ZINC000045270453 175341472 /nfs/dbraw/zinc/34/14/72/175341472.db2.gz AQJFVFYNZDQCPR-HIFRSBDPSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCCN(CC[C@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045276311 175346679 /nfs/dbraw/zinc/34/66/79/175346679.db2.gz DITYNEORYVKXPU-HNNXBMFYSA-N 0 3 270.417 2.482 10 0 CEAEHN CCOC(=O)[C@](N)(CN(C)CC(C)(C)C)c1ccccc1 ZINC000045279302 175349704 /nfs/dbraw/zinc/34/97/04/175349704.db2.gz VAYRSTWTOUZQAN-KRWDZBQOSA-N 0 3 292.423 2.382 10 0 CEAEHN CCCN[C@](C)(CN1CCC(CC)CC1)C(=O)OCC ZINC000045281389 175351876 /nfs/dbraw/zinc/35/18/76/175351876.db2.gz PTVXSZBYUQTPII-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCCN(CC)C[C@@H](NCCC)C(=O)OCC ZINC000045370304 175363894 /nfs/dbraw/zinc/36/38/94/175363894.db2.gz SOEZDCJWQDKJLW-CYBMUJFWSA-N 0 3 258.406 2.040 10 0 CEAEHN CCCCN(CCCC)C[C@@H](NCCC)C(=O)OC ZINC000045380521 175369325 /nfs/dbraw/zinc/36/93/25/175369325.db2.gz ZIJLRHWEOKQFSF-CQSZACIVSA-N 0 3 272.433 2.430 10 0 CEAEHN CCOC(=O)[C@H](CN(CC)C1CCCC1)NC(C)C ZINC000045390368 175374798 /nfs/dbraw/zinc/37/47/98/175374798.db2.gz YHSURFGDWOZFEQ-AWEZNQCLSA-N 0 3 270.417 2.181 10 0 CEAEHN CCN[C@@H](CN(C)C1CCCCCC1)C(=O)OCC ZINC000045419077 175377196 /nfs/dbraw/zinc/37/71/96/175377196.db2.gz NFHLDEQUBYHTME-AWEZNQCLSA-N 0 3 270.417 2.182 10 0 CEAEHN COC(=O)[C@H](CN(C)C1CCCCCC1)NC(C)C ZINC000045419097 175377311 /nfs/dbraw/zinc/37/73/11/175377311.db2.gz POLONNXEIPOLOT-AWEZNQCLSA-N 0 3 270.417 2.181 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)C2(CO)CC2)c1C ZINC000658160861 415237831 /nfs/dbraw/zinc/23/78/31/415237831.db2.gz PRERUGCTZIXJHX-GXFFZTMASA-N 0 3 265.401 2.331 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000655526395 415328290 /nfs/dbraw/zinc/32/82/90/415328290.db2.gz PTSKQTVXLPERQJ-MWLCHTKSSA-N 0 3 262.344 2.444 10 0 CEAEHN NCc1ccnn1Cc1cc(F)ccc1Br ZINC000070708273 176002272 /nfs/dbraw/zinc/00/22/72/176002272.db2.gz NUJDRQZIXIRMJW-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN C[C@H](Cc1ccc(F)cc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071031264 176022533 /nfs/dbraw/zinc/02/25/33/176022533.db2.gz SJZOZMRXHPRTCO-IAQYHMDHSA-N 0 3 276.355 2.110 10 0 CEAEHN Cc1ccc(F)cc1N1CC[C@@H](NC(C)C)C1=O ZINC000071033489 176023404 /nfs/dbraw/zinc/02/34/04/176023404.db2.gz AXHSURYTRRLIIG-GFCCVEGCSA-N 0 3 250.317 2.237 10 0 CEAEHN CCCc1ccccc1N1CC[C@H](NC2CC2)C1=O ZINC000071035331 176025349 /nfs/dbraw/zinc/02/53/49/176025349.db2.gz DPZCEFMFEKTEBV-AWEZNQCLSA-N 0 3 258.365 2.496 10 0 CEAEHN CCN[C@@H]1CCCN(c2nc(C3CC3)cs2)C1=O ZINC000071036498 176025909 /nfs/dbraw/zinc/02/59/09/176025909.db2.gz NAPNWTDOSNVNBR-SNVBAGLBSA-N 0 3 265.382 2.125 10 0 CEAEHN CC(C)N[C@H]1CCN(c2ccc3c(c2)OC(F)(F)O3)C1=O ZINC000071037936 176026608 /nfs/dbraw/zinc/02/66/08/176026608.db2.gz VRINPNPJCGUHPQ-JTQLQIEISA-N 0 3 298.289 2.111 10 0 CEAEHN Cc1cccc(CN2CCC[C@H](NC3CC3)C2=O)c1 ZINC000071041277 176028083 /nfs/dbraw/zinc/02/80/83/176028083.db2.gz HGUVVXYZTWXUMP-HNNXBMFYSA-N 0 3 258.365 2.238 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1c1ccc2ncccc2c1 ZINC000071042584 176028672 /nfs/dbraw/zinc/02/86/72/176028672.db2.gz FLHKYVGVFQPHOF-MRXNPFEDSA-N 0 3 281.359 2.482 10 0 CEAEHN C[C@@H](c1ccsc1)N1CC[C@H](NC2CC2)C1=O ZINC000071042808 176029281 /nfs/dbraw/zinc/02/92/81/176029281.db2.gz QHGDVKYYUMEFQQ-CABZTGNLSA-N 0 3 250.367 2.162 10 0 CEAEHN CC[C@@H](CC1CC1)N1CCC[C@H](NC2CC2)C1=O ZINC000071043910 176029816 /nfs/dbraw/zinc/02/98/16/176029816.db2.gz UEFZHXQLZBNNGI-KBPBESRZSA-N 0 3 250.386 2.308 10 0 CEAEHN CCC(C)(C)[C@@H](N)c1ccc2c(c1)C(=O)N(C)C(=O)C2 ZINC000071139364 176037896 /nfs/dbraw/zinc/03/78/96/176037896.db2.gz YEZGMLNXPSGVOU-AWEZNQCLSA-N 0 3 274.364 2.277 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cccc(Br)c2)C1 ZINC000071139996 176038443 /nfs/dbraw/zinc/03/84/43/176038443.db2.gz KBNDFAVGOMFOKT-LBPRGKRZSA-N 0 3 297.196 2.225 10 0 CEAEHN NCc1ccccc1N[C@H](CO)Cc1ccccc1 ZINC000071187506 176060904 /nfs/dbraw/zinc/06/09/04/176060904.db2.gz DAGXRMWTVSKJIZ-HNNXBMFYSA-N 0 3 256.349 2.161 10 0 CEAEHN Cc1ccc(C(=O)[C@H](C)N(C)C[C@@H]2CCN(C)C2)cc1 ZINC000071189964 176065940 /nfs/dbraw/zinc/06/59/40/176065940.db2.gz DNFUADVQFQZBIU-LSDHHAIUSA-N 0 3 274.408 2.450 10 0 CEAEHN NCc1cc(F)ccc1Cn1ncc(=O)c2ccccc21 ZINC000071263832 176096637 /nfs/dbraw/zinc/09/66/37/176096637.db2.gz UEKRDTHQEXMGEC-UHFFFAOYSA-N 0 3 283.306 2.043 10 0 CEAEHN COC[C@@H](O)CNC(c1cccs1)c1cccs1 ZINC000071270919 176104277 /nfs/dbraw/zinc/10/42/77/176104277.db2.gz VMMKVFKHDXLGTD-JTQLQIEISA-N 0 3 283.418 2.496 10 0 CEAEHN COc1ccc([C@@H]2CNC[C@H](C3CC3)O2)cc1OC ZINC000071308848 176116273 /nfs/dbraw/zinc/11/62/73/176116273.db2.gz QAVZBLLPYGUBNF-CABCVRRESA-N 0 3 263.337 2.143 10 0 CEAEHN CC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1CNC ZINC000071403673 176155302 /nfs/dbraw/zinc/15/53/02/176155302.db2.gz BKPBAPOHUQOFQP-STQMWFEESA-N 0 3 278.396 2.396 10 0 CEAEHN COCCNCc1cc(C)ccc1O[C@@H]1CCCC[C@H]1O ZINC000071407507 176156172 /nfs/dbraw/zinc/15/61/72/176156172.db2.gz FNDWGLZCYRVSGK-NVXWUHKLSA-N 0 3 293.407 2.413 10 0 CEAEHN CCN(CC)CCn1ccc2cc(OC)ccc2c1=O ZINC000071503266 176192893 /nfs/dbraw/zinc/19/28/93/176192893.db2.gz UAXQEMWLLHFVKS-UHFFFAOYSA-N 0 3 274.364 2.352 10 0 CEAEHN c1cc(NC2CCN(Cc3ccccc3)CC2)n[nH]1 ZINC000076696349 177060302 /nfs/dbraw/zinc/06/03/02/177060302.db2.gz FZVFACVFYMHAEV-UHFFFAOYSA-N 0 3 256.353 2.486 10 0 CEAEHN NC(=O)[C@H]1CCCN[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000080106040 177609858 /nfs/dbraw/zinc/60/98/58/177609858.db2.gz ONDAIBSKQZLLAK-WDEREUQCSA-N 0 3 272.270 2.231 10 0 CEAEHN C[C@@H]1CC[NH2+]C[C@@H]1N=c1[n-]oc2ccc(Cl)cc21 ZINC000333873624 287620623 /nfs/dbraw/zinc/62/06/23/287620623.db2.gz CEEHZLDMMVZLPG-KCJUWKMLSA-N 0 3 265.744 2.313 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@H]1CCC(C)(C)O1 ZINC000187052299 270253270 /nfs/dbraw/zinc/25/32/70/270253270.db2.gz IXFNURBFQSVRBH-ZIAGYGMSSA-N 0 3 299.459 2.220 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccsc1 ZINC000193269065 262219366 /nfs/dbraw/zinc/21/93/66/262219366.db2.gz KXTBQVXRSGNNLV-CYBMUJFWSA-N 0 3 268.426 2.383 10 0 CEAEHN CC[C@](C)(O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190715485 270269727 /nfs/dbraw/zinc/26/97/27/270269727.db2.gz FVFPKTQSUMVFLA-DOMZBBRYSA-N 0 3 286.416 2.137 10 0 CEAEHN Cc1ncc(C(=O)N[C@@H](CN(C)C)c2ccccc2)s1 ZINC000195221860 270307139 /nfs/dbraw/zinc/30/71/39/270307139.db2.gz DHBQWFUWHSDWFR-ZDUSSCGKSA-N 0 3 289.404 2.484 10 0 CEAEHN O[C@@H]1CC[C@H]2CN(Cc3ccncc3Cl)C[C@@H]2C1 ZINC000398704204 270361353 /nfs/dbraw/zinc/36/13/53/270361353.db2.gz AKJTVEXCKVMJMI-WCFLWFBJSA-N 0 3 266.772 2.328 10 0 CEAEHN C[C@@H](NC(=O)[C@H](N)C1CCC1)c1ccc(F)c(F)c1 ZINC000398968265 270364777 /nfs/dbraw/zinc/36/47/77/270364777.db2.gz SWAWOFRMETZWRL-AMIZOPFISA-N 0 3 268.307 2.269 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399094944 270366027 /nfs/dbraw/zinc/36/60/27/270366027.db2.gz XYCJJLPQYUFNEE-XHDPSFHLSA-N 0 3 276.380 2.308 10 0 CEAEHN COCC[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000101777011 274038850 /nfs/dbraw/zinc/03/88/50/274038850.db2.gz GHGACAJSRJAPSN-HIFRSBDPSA-N 0 3 293.411 2.014 10 0 CEAEHN CCCCOCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000118196602 275979414 /nfs/dbraw/zinc/97/94/14/275979414.db2.gz GFJWNIKYVKHSMA-OAHLLOKOSA-N 0 3 278.396 2.222 10 0 CEAEHN CCOCCCN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000037214761 276316767 /nfs/dbraw/zinc/31/67/67/276316767.db2.gz HJHGUEGSQCXDDA-ZDUSSCGKSA-N 0 3 262.353 2.110 10 0 CEAEHN CN1CCC2(CC1)C(=O)Nc1ccc(Cl)cc12 ZINC000079034517 277035628 /nfs/dbraw/zinc/03/56/28/277035628.db2.gz ZAODQZGIHMHYRS-UHFFFAOYSA-N 0 3 250.729 2.256 10 0 CEAEHN CC(C)C[C@@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000262177029 277449433 /nfs/dbraw/zinc/44/94/33/277449433.db2.gz YWCCBKQRFRVFFR-DZGCQCFKSA-N 0 3 282.428 2.025 10 0 CEAEHN Cc1cnc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)o1 ZINC000374175923 279011886 /nfs/dbraw/zinc/01/18/86/279011886.db2.gz URZXIFJDTJWOEA-MJBXVCDLSA-N 0 3 264.369 2.499 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](OC)c1ccccc1 ZINC000177025680 279300314 /nfs/dbraw/zinc/30/03/14/279300314.db2.gz VFHMELIRDNBOSX-HZPDHXFCSA-N 0 3 290.407 2.317 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000105872294 279522008 /nfs/dbraw/zinc/52/20/08/279522008.db2.gz FBVRZOHBTPSBRC-GXSJLCMTSA-N 0 3 278.306 2.222 10 0 CEAEHN CCC[C@H](C(=O)N1C[C@H]2CCCC[C@@H]2C1)N(C)C ZINC000133793101 280005864 /nfs/dbraw/zinc/00/58/64/280005864.db2.gz FTWCFFJXLUKFBR-MGPQQGTHSA-N 0 3 252.402 2.365 10 0 CEAEHN CCO[C@@H](C(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000142192523 280075493 /nfs/dbraw/zinc/07/54/93/280075493.db2.gz UAQNUJPXBIJBIH-HZPDHXFCSA-N 0 3 290.407 2.365 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)C(C)C ZINC000245459032 280241574 /nfs/dbraw/zinc/24/15/74/280241574.db2.gz DEMMSRLTYHCTRB-UONOGXRCSA-N 0 3 269.433 2.404 10 0 CEAEHN CCO[C@@H](C)c1noc(CN(C)C[C@@H]2CCCN2CC)n1 ZINC000245457614 280241588 /nfs/dbraw/zinc/24/15/88/280241588.db2.gz CDAUTMJMAFWRPP-STQMWFEESA-N 0 3 296.415 2.083 10 0 CEAEHN CCS[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000247069777 280319696 /nfs/dbraw/zinc/31/96/96/280319696.db2.gz PRYWGMFZOATIEQ-MGPQQGTHSA-N 0 3 299.484 2.396 10 0 CEAEHN C[C@@H](CN(C)C[C@@H](O)COC(C)(C)C)c1nccs1 ZINC000248475674 280349241 /nfs/dbraw/zinc/34/92/41/280349241.db2.gz XWWKKEGRPIITPV-NWDGAFQWSA-N 0 3 286.441 2.354 10 0 CEAEHN CCC[C@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000249279096 280390785 /nfs/dbraw/zinc/39/07/85/280390785.db2.gz MVUSFVVUIFWPMF-UONOGXRCSA-N 0 3 251.374 2.081 10 0 CEAEHN CCc1cccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000249298292 280392251 /nfs/dbraw/zinc/39/22/51/280392251.db2.gz NGXZBYYIYUJZTE-GJZGRUSLSA-N 0 3 276.424 2.136 10 0 CEAEHN CC(C)c1ccc(N(C)C(=O)C2(N)CCOCC2)cc1 ZINC000261928666 280607128 /nfs/dbraw/zinc/60/71/28/280607128.db2.gz VZWYFOCCFBRUMW-UHFFFAOYSA-N 0 3 276.380 2.281 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000155427189 289173881 /nfs/dbraw/zinc/17/38/81/289173881.db2.gz YIJYIRPKGFNMPD-BBRMVZONSA-N 0 3 289.423 2.211 10 0 CEAEHN COc1c(CN2C[C@@H](C)C[C@H](C)C2)c(C)nn1C ZINC000158015551 289226580 /nfs/dbraw/zinc/22/65/80/289226580.db2.gz LLODLYBYZVYOJZ-QWRGUYRKSA-N 0 3 251.374 2.215 10 0 CEAEHN C[C@H](CC(N)=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124179854 298352410 /nfs/dbraw/zinc/35/24/10/298352410.db2.gz PLJJDNHJHNAOSX-ZYHUDNBSSA-N 0 3 262.353 2.142 10 0 CEAEHN Cn1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)CNC3)cn1 ZINC000262519799 302935952 /nfs/dbraw/zinc/93/59/52/302935952.db2.gz NXXDMTALWVZZJS-MRXNPFEDSA-N 0 3 296.374 2.001 10 0 CEAEHN C[C@@H]1C[C@]2(CO)CN(Cc3ccccc3)CC[C@@H]2O1 ZINC000536961132 330384330 /nfs/dbraw/zinc/38/43/30/330384330.db2.gz VGBCYGHICHZLQC-VNQPRFMTSA-N 0 3 261.365 2.048 10 0 CEAEHN CC(C)N[C@H](CCSCc1ccccc1)C(N)=O ZINC000062598165 519738395 /nfs/dbraw/zinc/73/83/95/519738395.db2.gz YRWDDRVLHLOECT-CYBMUJFWSA-N 0 3 266.410 2.162 10 0 CEAEHN CCCNCc1oc(CN(CCOC)CCOC)cc1C ZINC000052571541 519973122 /nfs/dbraw/zinc/97/31/22/519973122.db2.gz YIEORYJPTYIRJP-UHFFFAOYSA-N 0 3 298.427 2.182 10 0 CEAEHN CCNCc1c(C)nc(Cc2ccncc2)nc1C ZINC000054854105 519982635 /nfs/dbraw/zinc/98/26/35/519982635.db2.gz XAJKXBYTMKGIID-UHFFFAOYSA-N 0 3 256.353 2.189 10 0 CEAEHN CCNCc1c(C)nn(C)c1N1CCC[C@@H](C)[C@@H]1C ZINC000050566046 519983600 /nfs/dbraw/zinc/98/36/00/519983600.db2.gz ZKVFLBWGKGLCMN-YPMHNXCESA-N 0 3 264.417 2.463 10 0 CEAEHN CCCN[C@@H](CCN1CCCC[C@@H]1C)C(=O)OCC ZINC000062440311 519998113 /nfs/dbraw/zinc/99/81/13/519998113.db2.gz WCQCCHUWJMZZGB-KBPBESRZSA-N 0 3 270.417 2.182 10 0 CEAEHN CCNCc1oc(CN2C[C@H](C)OC[C@@H]2C)cc1C ZINC000052476818 520028038 /nfs/dbraw/zinc/02/80/38/520028038.db2.gz FIONBZCRQLMFQZ-STQMWFEESA-N 0 3 266.385 2.307 10 0 CEAEHN CCNc1cc(CN(CC)[C@H](C)COC)ccn1 ZINC000052724131 520271475 /nfs/dbraw/zinc/27/14/75/520271475.db2.gz QHFLQBDDXVDCTJ-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN CCO[C@H]1CCCN(c2nc(C)c([C@@H](C)N)s2)C1 ZINC000054898712 520529445 /nfs/dbraw/zinc/52/94/45/520529445.db2.gz CXVNUBOYVCXRDG-KOLCDFICSA-N 0 3 269.414 2.477 10 0 CEAEHN CCOC(=O)CC(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000068813959 520590830 /nfs/dbraw/zinc/59/08/30/520590830.db2.gz OCGNIHPCIDTVNS-WCQYABFASA-N 0 3 255.358 2.019 10 0 CEAEHN CCN(CCOC)Cc1ccc(CNCC(C)C)o1 ZINC000052542681 521134210 /nfs/dbraw/zinc/13/42/10/521134210.db2.gz JAGFSLAWZCTVJP-UHFFFAOYSA-N 0 3 268.401 2.494 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000061300092 521940438 /nfs/dbraw/zinc/94/04/38/521940438.db2.gz INWJHJCLTJPDOD-UHFFFAOYSA-N 0 3 286.759 2.294 10 0 CEAEHN CC[C@@H](C)N1CCN(CC[C@@H](O)C(C)(C)C)CC1 ZINC000055073094 522122263 /nfs/dbraw/zinc/12/22/63/522122263.db2.gz KWFZEEAUCPMCSQ-ZIAGYGMSSA-N 0 3 256.434 2.200 10 0 CEAEHN CC(C)(C)N1CCN(Cc2cc(CNC3CC3)co2)CC1 ZINC000052571660 518709971 /nfs/dbraw/zinc/70/99/71/518709971.db2.gz NUALXEXBKGGFGA-UHFFFAOYSA-N 0 3 291.439 2.448 10 0 CEAEHN CC(C)(C)NCc1ccnc(Cc2ccncc2)n1 ZINC000054792035 518766547 /nfs/dbraw/zinc/76/65/47/518766547.db2.gz WOXAQCQXESLQQN-UHFFFAOYSA-N 0 3 256.353 2.351 10 0 CEAEHN CC(C)(C)c1ccc(OCCN2CC[C@@H](O)C2)cc1 ZINC000061708661 519039453 /nfs/dbraw/zinc/03/94/53/519039453.db2.gz XIIFFOSRNJTWCW-CQSZACIVSA-N 0 3 263.381 2.430 10 0 CEAEHN CC(C)N(Cc1cnn(C)c1)Cc1cccc(N)c1 ZINC000050540176 519662588 /nfs/dbraw/zinc/66/25/88/519662588.db2.gz VGBWZPRVLQDOLR-UHFFFAOYSA-N 0 3 258.369 2.413 10 0 CEAEHN CC(C)N1CCN([C@H](CN)c2cc3ccccc3o2)CC1 ZINC000068811246 519683625 /nfs/dbraw/zinc/68/36/25/519683625.db2.gz RGEOGCMFAJETOB-OAHLLOKOSA-N 0 3 287.407 2.459 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2csc(C3CC3)n2)[C@@H](C)C1 ZINC000155446288 519698024 /nfs/dbraw/zinc/69/80/24/519698024.db2.gz RPUSSNZTIJQBMX-JQWIXIFHSA-N 0 3 293.436 2.479 10 0 CEAEHN CC(C)C[NH+](CC[C@@H](NC1CC1)C(=O)[O-])CC(C)C ZINC000062454435 519717503 /nfs/dbraw/zinc/71/75/03/519717503.db2.gz WNNUACSAAVPFMN-CQSZACIVSA-N 0 3 270.417 2.196 10 0 CEAEHN CC(C)CN1C(=O)C[C@H](N)[C@@H]1c1ccc(F)cc1F ZINC000070294454 519719526 /nfs/dbraw/zinc/71/95/26/519719526.db2.gz MBPDVGDLWFLHAK-JSGCOSHPSA-N 0 3 268.307 2.222 10 0 CEAEHN CC(C)CN1CCN([C@H]2CCCCCC[C@H]2O)CC1 ZINC000055080999 519728509 /nfs/dbraw/zinc/72/85/09/519728509.db2.gz PNXUVASBSLOFQF-JKSUJKDBSA-N 0 3 268.445 2.344 10 0 CEAEHN CC(C)N[C@H](CCSC1CCCCC1)C(N)=O ZINC000062601100 519738384 /nfs/dbraw/zinc/73/83/84/519738384.db2.gz AQGQQTQVEPPZRF-GFCCVEGCSA-N 0 3 258.431 2.294 10 0 CEAEHN CC(C)CNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745669 519740438 /nfs/dbraw/zinc/74/04/38/519740438.db2.gz LOZQZUUVRNEGDZ-QWRGUYRKSA-N 0 3 282.359 2.385 10 0 CEAEHN CC(C)CNCc1nnnn1-c1cccc(Cl)c1F ZINC000054744994 519748738 /nfs/dbraw/zinc/74/87/38/519748738.db2.gz XXJQMNUFHLGJMW-UHFFFAOYSA-N 0 3 283.738 2.200 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)Nc1ncnc(Cl)c1N ZINC000062363583 519776315 /nfs/dbraw/zinc/77/63/15/519776315.db2.gz QORJOVQCNTYROY-VIFPVBQESA-N 0 3 271.796 2.100 10 0 CEAEHN CC(C)[C@H](NCc1cnn(CCO)c1)c1ccccc1 ZINC000068690842 519821091 /nfs/dbraw/zinc/82/10/91/519821091.db2.gz LIHPJLQQRDIMAK-INIZCTEOSA-N 0 3 273.380 2.362 10 0 CEAEHN CC(C)C1N=NC(=S)N1[C@@H](C)CN1CCCC1 ZINC000049184517 519890857 /nfs/dbraw/zinc/89/08/57/519890857.db2.gz WGKGJPUTCJNNMI-JTQLQIEISA-N 0 3 254.403 2.347 10 0 CEAEHN CCCC1CCC(N[C@@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000049543833 519899377 /nfs/dbraw/zinc/89/93/77/519899377.db2.gz HTBGPXOLOKTTAG-JXQTWKCFSA-N 0 3 280.412 2.471 10 0 CEAEHN CCCC1CCN(C[C@H](NC(C)C)C(=O)OCC)CC1 ZINC000050905888 519902341 /nfs/dbraw/zinc/90/23/41/519902341.db2.gz YJUQORPKKWVKMK-HNNXBMFYSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCNC(=O)c1cccc(NC(=O)C(C)(C)NCC)c1 ZINC000061290539 519903651 /nfs/dbraw/zinc/90/36/51/519903651.db2.gz XVXYOWWPVCLFFA-UHFFFAOYSA-N 0 3 291.395 2.153 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000061291852 519905961 /nfs/dbraw/zinc/90/59/61/519905961.db2.gz XJGPYDMFJLOHDA-UHFFFAOYSA-N 0 3 298.770 2.453 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061299562 519906784 /nfs/dbraw/zinc/90/67/84/519906784.db2.gz DJXNGHFZKUFLQH-UHFFFAOYSA-N 0 3 260.259 2.431 10 0 CEAEHN CCCNCc1occc1COC[C@@H]1CCCO1 ZINC000052626000 519973790 /nfs/dbraw/zinc/97/37/90/519973790.db2.gz KPSWMTDPAXZBSD-ZDUSSCGKSA-N 0 3 253.342 2.475 10 0 CEAEHN CCNCc1cnc(N2CCC[C@@H](OCC)C2)s1 ZINC000054909566 520015169 /nfs/dbraw/zinc/01/51/69/520015169.db2.gz ZYQSJYZGEBBKLZ-LLVKDONJSA-N 0 3 269.414 2.258 10 0 CEAEHN CCNCc1nc(CN(CCOC)[C@H](C)CC)cs1 ZINC000052547167 520020376 /nfs/dbraw/zinc/02/03/76/520020376.db2.gz XXWBBTXZTFGQCO-GFCCVEGCSA-N 0 3 285.457 2.500 10 0 CEAEHN CC(C)n1ccnc(NC[C@H](C)N2CCCCC2)c1=O ZINC000061763891 520021650 /nfs/dbraw/zinc/02/16/50/520021650.db2.gz VCDPOGFMVWAGSI-ZDUSSCGKSA-N 0 3 278.400 2.111 10 0 CEAEHN CCNCc1nccn1Cc1csc(CC)n1 ZINC000051004733 520024011 /nfs/dbraw/zinc/02/40/11/520024011.db2.gz JXXUXTLKGPIMJC-UHFFFAOYSA-N 0 3 250.371 2.060 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCCC(=O)OC)ccc21 ZINC000069317712 520026589 /nfs/dbraw/zinc/02/65/89/520026589.db2.gz NKGGJUOPZASNNN-CYBMUJFWSA-N 0 3 279.336 2.062 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCCCC(=O)NC)ccc21 ZINC000068817027 520027437 /nfs/dbraw/zinc/02/74/37/520027437.db2.gz GMNCJZSPERXJLF-CQSZACIVSA-N 0 3 292.379 2.025 10 0 CEAEHN CCNCc1oc(CN2C[C@@H](C)OC[C@@H]2C)cc1C ZINC000052476819 520028391 /nfs/dbraw/zinc/02/83/91/520028391.db2.gz FIONBZCRQLMFQZ-QWHCGFSZSA-N 0 3 266.385 2.307 10 0 CEAEHN CCNCc1oc2ccccc2c1Cn1cncn1 ZINC000052575093 520031447 /nfs/dbraw/zinc/03/14/47/520031447.db2.gz DVUJJILILRXCHT-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CCCN[C@H](Cn1nc(C)ccc1=O)c1ccccc1 ZINC000061810216 520089271 /nfs/dbraw/zinc/08/92/71/520089271.db2.gz XBJPFSJKZYQCGU-OAHLLOKOSA-N 0 3 271.364 2.293 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1F)[C@@H]1COCCO1 ZINC000055300780 520090163 /nfs/dbraw/zinc/09/01/63/520090163.db2.gz GSHLRRCFWMPAFN-LSDHHAIUSA-N 0 3 283.343 2.290 10 0 CEAEHN CCN[C@@H](c1cc(OC)c(OC)cc1C)[C@H]1COCCO1 ZINC000055300916 520110145 /nfs/dbraw/zinc/11/01/45/520110145.db2.gz SHLSKPXPAUPKJR-CVEARBPZSA-N 0 3 295.379 2.078 10 0 CEAEHN CCN(C(=O)c1cc[nH]c(=NN)c1)c1cccc(F)c1 ZINC000051094744 520110366 /nfs/dbraw/zinc/11/03/66/520110366.db2.gz ZGCXZHFAFSNSBZ-UHFFFAOYSA-N 0 3 274.299 2.173 10 0 CEAEHN CCCN[C@](CN(C)C[C@@H]1C[C@@H]1C)(C(=O)OCC)C1CC1 ZINC000069233518 520119854 /nfs/dbraw/zinc/11/98/54/520119854.db2.gz LYEVAQJPLYQZIF-ZQIUZPCESA-N 0 3 296.455 2.286 10 0 CEAEHN CCCCCC[C@H](C)OCC[C@@H](NCC)C(N)=O ZINC000062542702 520132687 /nfs/dbraw/zinc/13/26/87/520132687.db2.gz IHUNNVRYKTWELU-QWHCGFSZSA-N 0 3 258.406 2.215 10 0 CEAEHN CCCNc1ccc(C(=O)N(CCC)CCN(C)C)cn1 ZINC000050786155 520144068 /nfs/dbraw/zinc/14/40/68/520144068.db2.gz ZHWANCHRQBTHOX-UHFFFAOYSA-N 0 3 292.427 2.317 10 0 CEAEHN CCN[C@@](CO[C@H]1CCCC[C@@H]1CC)(C(N)=O)C1CC1 ZINC000069195899 520157082 /nfs/dbraw/zinc/15/70/82/520157082.db2.gz JPTNVEZJBGGJNL-DUVNUKRYSA-N 0 3 282.428 2.215 10 0 CEAEHN CCN[C@H](Cc1ccc(OC)c(OC)c1)c1cnccn1 ZINC000069499693 520203220 /nfs/dbraw/zinc/20/32/20/520203220.db2.gz IZJHLRUGSLMWAJ-CYBMUJFWSA-N 0 3 287.363 2.387 10 0 CEAEHN CCN[C@H](c1ccc(OC)c(C)c1)[C@H]1COCCO1 ZINC000055300292 520207948 /nfs/dbraw/zinc/20/79/48/520207948.db2.gz TTZOLGUHRSAMEA-HUUCEWRRSA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1ccc(C)c(C)c1)C(N)=O ZINC000068656041 520236255 /nfs/dbraw/zinc/23/62/55/520236255.db2.gz RSIZTTYVEHAWSN-CZUORRHYSA-N 0 3 278.396 2.314 10 0 CEAEHN CCNc1ccc(CN(CC)[C@@H](C)COC)cn1 ZINC000050814972 520300095 /nfs/dbraw/zinc/30/00/95/520300095.db2.gz NHPOSMHCOGBWDW-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN CCNc1cccc(C(=O)N[C@H](CC(C)C)CN(C)C)n1 ZINC000051071509 520335568 /nfs/dbraw/zinc/33/55/68/520335568.db2.gz NNAYXCVCFUXTRY-CYBMUJFWSA-N 0 3 292.427 2.220 10 0 CEAEHN CCNc1ccccc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000061656059 520338504 /nfs/dbraw/zinc/33/85/04/520338504.db2.gz AZBJDBCFUQQGIL-CYBMUJFWSA-N 0 3 275.396 2.285 10 0 CEAEHN CCNc1ncccc1C(=O)N(CCN(C)C)CC(C)C ZINC000050774381 520372171 /nfs/dbraw/zinc/37/21/71/520372171.db2.gz SGXIKQRYFHETOJ-UHFFFAOYSA-N 0 3 292.427 2.173 10 0 CEAEHN CCN(CC(C)C)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051126837 520413058 /nfs/dbraw/zinc/41/30/58/520413058.db2.gz SNPHFNXIESQBQW-UHFFFAOYSA-N 0 3 270.764 2.139 10 0 CEAEHN CCCOc1ccc([C@@H](CO)NCCN(CC)CC)cc1 ZINC000052920625 520417444 /nfs/dbraw/zinc/41/74/44/520417444.db2.gz URYKPSMDVIVCQI-QGZVFWFLSA-N 0 3 294.439 2.440 10 0 CEAEHN CCN(CC(F)(F)F)c1ncc(CNC)s1 ZINC000054906090 520422823 /nfs/dbraw/zinc/42/28/23/520422823.db2.gz BMHRBYHIVUCWBT-UHFFFAOYSA-N 0 3 253.293 2.251 10 0 CEAEHN CCCOc1cccc([C@H](NCC(C)C)C(N)=O)c1 ZINC000052921447 520469178 /nfs/dbraw/zinc/46/91/78/520469178.db2.gz IPWPWIWIAZOPAY-AWEZNQCLSA-N 0 3 264.369 2.247 10 0 CEAEHN CC1(C)COCCN1c1nc(C2CC2)c(CN)s1 ZINC000069181571 520508140 /nfs/dbraw/zinc/50/81/40/520508140.db2.gz PWTDJPJCZWOSER-UHFFFAOYSA-N 0 3 267.398 2.094 10 0 CEAEHN CCO[C@H]1CCCN(c2nc(C3CC3)c(CN)s2)C1 ZINC000069181779 520529104 /nfs/dbraw/zinc/52/91/04/520529104.db2.gz HFZKUCJUGJAJCD-NSHDSACASA-N 0 3 281.425 2.485 10 0 CEAEHN CCN(CC)C(=O)[C@H](CN)Cc1ccc(F)c(C)c1 ZINC000050544421 520536183 /nfs/dbraw/zinc/53/61/83/520536183.db2.gz JDWXPJPJGXLHNY-ZDUSSCGKSA-N 0 3 266.360 2.120 10 0 CEAEHN CCOC(=O)CC(=O)CN(CC(C)C)CC(C)C ZINC000068813772 520590436 /nfs/dbraw/zinc/59/04/36/520590436.db2.gz DKYJTMJHIKBECY-UHFFFAOYSA-N 0 3 257.374 2.123 10 0 CEAEHN CCCCNC(=O)COc1cc(F)ccc1[C@@H](C)N ZINC000062745202 520624868 /nfs/dbraw/zinc/62/48/68/520624868.db2.gz VCJQSJAHBXWNQJ-SNVBAGLBSA-N 0 3 268.332 2.141 10 0 CEAEHN CCC[C@@H](C)N(C)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069100236 520644613 /nfs/dbraw/zinc/64/46/13/520644613.db2.gz FCSOCCNBQNDOKG-CZUORRHYSA-N 0 3 284.444 2.428 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)C[C@@H](C)CC[C@@H]1C ZINC000068631278 520689358 /nfs/dbraw/zinc/68/93/58/520689358.db2.gz QAEDJDYHZWPBMA-OFQRWUPVSA-N 0 3 284.444 2.286 10 0 CEAEHN CCC[C@@H](N)[C@H](CC)S(=O)(=O)c1ccccc1 ZINC000061702549 520727080 /nfs/dbraw/zinc/72/70/80/520727080.db2.gz WBHOZLYUJJXKGL-OLZOCXBDSA-N 0 3 255.383 2.366 10 0 CEAEHN CCC[C@@H](N[C@@H](C)C(=O)NCCOC)c1cccs1 ZINC000049545054 520786960 /nfs/dbraw/zinc/78/69/60/520786960.db2.gz UYLWSVZEYPDBJL-NWDGAFQWSA-N 0 3 284.425 2.330 10 0 CEAEHN CCN(CC1CC1)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000069239447 520957308 /nfs/dbraw/zinc/95/73/08/520957308.db2.gz AOIMNAYNAABRFJ-QGZVFWFLSA-N 0 3 290.407 2.006 10 0 CEAEHN CCN(CC1CC1)[C@H](C)C(=O)Nc1ccc(F)cc1N ZINC000069236907 520967426 /nfs/dbraw/zinc/96/74/26/520967426.db2.gz VDNHDMKEMZEYGL-SNVBAGLBSA-N 0 3 279.359 2.467 10 0 CEAEHN CCN(CC1CC1)[C@@H](CN)c1cccc(OC)c1OC ZINC000069237394 520969330 /nfs/dbraw/zinc/96/93/30/520969330.db2.gz KYKYLKJKEHSMEO-AWEZNQCLSA-N 0 3 278.396 2.436 10 0 CEAEHN CCOC(=O)[C@@](CN(C)C(C)C)(NC(C)C)C1CC1 ZINC000069095460 521165121 /nfs/dbraw/zinc/16/51/21/521165121.db2.gz ZLRXVYQPJMPFII-HNNXBMFYSA-N 0 3 270.417 2.037 10 0 CEAEHN CCCC[C@H](CC)COCC[C@@H](NCC)C(N)=O ZINC000062543022 521180214 /nfs/dbraw/zinc/18/02/14/521180214.db2.gz OLVSGHFWKXGMFT-QWHCGFSZSA-N 0 3 258.406 2.073 10 0 CEAEHN CCOC(=O)[C@H](CN1CCCC(C)(C)C1)NC(C)C ZINC000069516580 521249940 /nfs/dbraw/zinc/24/99/40/521249940.db2.gz WDPOKXWBRCMQSJ-ZDUSSCGKSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN(Cc1ccoc1CNC)CC(F)(F)F ZINC000052503070 521424455 /nfs/dbraw/zinc/42/44/55/521424455.db2.gz YIOWUIAZPUILAI-UHFFFAOYSA-N 0 3 250.264 2.383 10 0 CEAEHN CCN(c1c(CNC(C)(C)C)c(C)nn1C)[C@@H](C)COC ZINC000062737880 521477712 /nfs/dbraw/zinc/47/77/12/521477712.db2.gz DXCBADOIWGKBOX-LBPRGKRZSA-N 0 3 296.459 2.478 10 0 CEAEHN CCCc1nc(N2C[C@@H](C)OC[C@@H]2C)sc1CNC ZINC000054997295 521534304 /nfs/dbraw/zinc/53/43/04/521534304.db2.gz MKWUOHWKAJFJQT-WDEREUQCSA-N 0 3 283.441 2.429 10 0 CEAEHN CCCn1c(Sc2cccc(F)c2[C@H](C)N)n[nH]c1=O ZINC000061595909 521636122 /nfs/dbraw/zinc/63/61/22/521636122.db2.gz FNKYJAHYLGYATO-QMMMGPOBSA-N 0 3 296.371 2.291 10 0 CEAEHN CCCN1C(=O)C[C@H](N)[C@H]1c1ccc(Br)o1 ZINC000062209727 521699724 /nfs/dbraw/zinc/69/97/24/521699724.db2.gz FPKZPZPDRHCBLY-CPCISQLKSA-N 0 3 287.157 2.053 10 0 CEAEHN COCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000052808531 521815935 /nfs/dbraw/zinc/81/59/35/521815935.db2.gz SAEIFEXEIVYCSN-ZWNOBZJWSA-N 0 3 284.787 2.223 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2ccc(OC)c(F)c2)c[nH]1 ZINC000052811220 521833883 /nfs/dbraw/zinc/83/38/83/521833883.db2.gz ARGUYYOLHYRDFW-LLVKDONJSA-N 0 3 279.315 2.261 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CC(=O)c1cc(F)ccc1F ZINC000061645651 521835164 /nfs/dbraw/zinc/83/51/64/521835164.db2.gz CXEDXSAUKSCJIX-LBPRGKRZSA-N 0 3 282.334 2.174 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1cscn1)c1ccccc1 ZINC000062663111 521858246 /nfs/dbraw/zinc/85/82/46/521858246.db2.gz MDHCCCHVWSXLEU-LBPRGKRZSA-N 0 3 275.377 2.176 10 0 CEAEHN CCc1ccccc1OC[C@](NC1CC1)(C(N)=O)C1CC1 ZINC000069197964 521922505 /nfs/dbraw/zinc/92/25/05/521922505.db2.gz NFLRCRMYBYLTHZ-QGZVFWFLSA-N 0 3 288.391 2.014 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000061318546 521941120 /nfs/dbraw/zinc/94/11/20/521941120.db2.gz KYKCHVYWCPAKSV-UHFFFAOYSA-N 0 3 291.395 2.151 10 0 CEAEHN CNCc1cc(C)nc(Cc2ccc(OC)cc2)n1 ZINC000054831019 522104733 /nfs/dbraw/zinc/10/47/33/522104733.db2.gz MOCOHVDJNKWGMY-UHFFFAOYSA-N 0 3 257.337 2.104 10 0 CEAEHN CNCc1cc(CN2CCO[C@H]3CCCC[C@@H]32)oc1C ZINC000052573094 522106114 /nfs/dbraw/zinc/10/61/14/522106114.db2.gz MWJMBZHZVRAMMU-HOTGVXAUSA-N 0 3 278.396 2.451 10 0 CEAEHN CNCc1sc(N(C)C2CCOCC2)nc1C1CC1 ZINC000069179947 522164158 /nfs/dbraw/zinc/16/41/58/522164158.db2.gz MDKVGJALMRJALP-UHFFFAOYSA-N 0 3 281.425 2.355 10 0 CEAEHN CNCc1sc(N2CCCO[C@@H](C)C2)nc1C1CC1 ZINC000069182164 522166968 /nfs/dbraw/zinc/16/69/68/522166968.db2.gz OHHUYTJUJFEZSL-JTQLQIEISA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C(C)(C)NC ZINC000061300263 522223075 /nfs/dbraw/zinc/22/30/75/522223075.db2.gz RNCPROIDEIZZHI-LLVKDONJSA-N 0 3 291.395 2.151 10 0 CEAEHN CN(C)c1ccc([C@@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000054682932 522245220 /nfs/dbraw/zinc/24/52/20/522245220.db2.gz ANBLNQIKZPXWPE-JKSUJKDBSA-N 0 3 256.349 2.486 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCCC(=O)OC ZINC000069317631 522331589 /nfs/dbraw/zinc/33/15/89/522331589.db2.gz ZFWSQGUXXKFBNK-VIFPVBQESA-N 0 3 255.289 2.048 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1cccc(F)c1F)C(F)(F)F ZINC000070098421 522342053 /nfs/dbraw/zinc/34/20/53/522342053.db2.gz DYOYGEBIFDDOMW-WPRPVWTQSA-N 0 3 269.213 2.452 10 0 CEAEHN CN[C@@H](c1c(OC)cc(OC)cc1OC)C1CCOCC1 ZINC000061671637 522365525 /nfs/dbraw/zinc/36/55/25/522365525.db2.gz KGSVETCPBFORNI-MRXNPFEDSA-N 0 3 295.379 2.400 10 0 CEAEHN CN[C@@H]1COc2cc(OCCCn3ccnc3)ccc21 ZINC000062804001 522398576 /nfs/dbraw/zinc/39/85/76/522398576.db2.gz ZLLFEYAGLHCXRJ-CQSZACIVSA-N 0 3 273.336 2.005 10 0 CEAEHN CN[C@@](COc1cc(C)ccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197191 522427145 /nfs/dbraw/zinc/42/71/45/522427145.db2.gz FAANGBANSIRIRX-QGZVFWFLSA-N 0 3 290.407 2.351 10 0 CEAEHN CN[C@H](C)c1cnn(CCCOCC(F)(F)F)c1 ZINC000054721028 522453254 /nfs/dbraw/zinc/45/32/54/522453254.db2.gz ODVNPAJZFBQXHA-SECBINFHSA-N 0 3 265.279 2.133 10 0 CEAEHN CNc1cc(CN(CCOC)[C@@H](C)C2CC2)ccn1 ZINC000052728540 522564404 /nfs/dbraw/zinc/56/44/04/522564404.db2.gz QNMGNKKYWHQOGG-LBPRGKRZSA-N 0 3 263.385 2.370 10 0 CEAEHN COc1cc(F)c([C@@H](N)[C@H]2CCCCO2)cc1OC ZINC000061560339 522584377 /nfs/dbraw/zinc/58/43/77/522584377.db2.gz RKTGUYYMOSAZSE-BXUZGUMPSA-N 0 3 269.316 2.412 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1ccc(F)cc1F)C(F)(F)F ZINC000062784612 522655993 /nfs/dbraw/zinc/65/59/93/522655993.db2.gz JUYQBSSLNYTEQL-NXEZZACHSA-N 0 3 269.213 2.452 10 0 CEAEHN CNc1ncccc1CN(CCN(C)C)CC(C)C ZINC000052723855 522709818 /nfs/dbraw/zinc/70/98/18/522709818.db2.gz AVRGIJDQKLQDBQ-UHFFFAOYSA-N 0 3 264.417 2.143 10 0 CEAEHN CN(C[C@@H]1CCCOC1)[C@@H]1CNCc2ccccc21 ZINC000069267667 523061276 /nfs/dbraw/zinc/06/12/76/523061276.db2.gz NVDZGTICOPUXOP-XJKSGUPXSA-N 0 3 260.381 2.189 10 0 CEAEHN COC(=O)CCOc1ccc2c(c1)OC(C)(C)C[C@@H]2N ZINC000069317347 523108679 /nfs/dbraw/zinc/10/86/79/523108679.db2.gz SQZWFVBQJVKTLY-LBPRGKRZSA-N 0 3 279.336 2.189 10 0 CEAEHN CC[C@H]1COCCN1c1ncc(CNC2CC2)s1 ZINC000054904677 523337711 /nfs/dbraw/zinc/33/77/11/523337711.db2.gz GKEMLXIUVODYFN-NSHDSACASA-N 0 3 267.398 2.010 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1ncc(CNC2CC2)s1 ZINC000054908795 523347244 /nfs/dbraw/zinc/34/72/44/523347244.db2.gz SAOARFNSVFGNEU-JQWIXIFHSA-N 0 3 281.425 2.399 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1c1ncc(CNC2CC2)s1 ZINC000054908792 523354242 /nfs/dbraw/zinc/35/42/42/523354242.db2.gz SAOARFNSVFGNEU-PWSUYJOCSA-N 0 3 281.425 2.399 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1[C@@H]1CNCc2ccccc21 ZINC000069266126 523516637 /nfs/dbraw/zinc/51/66/37/523516637.db2.gz ZEALLKRYSMKHKZ-XNRPHZJLSA-N 0 3 260.381 2.330 10 0 CEAEHN COCCN(C(=O)[C@H](CN)c1ccccc1)[C@H](C)C1CC1 ZINC000061612102 523551494 /nfs/dbraw/zinc/55/14/94/523551494.db2.gz XEWYUMPFCOAERC-CZUORRHYSA-N 0 3 290.407 2.002 10 0 CEAEHN COCCN(C)CCn1c(C)cc2c1CC(C)(C)C[C@@H]2O ZINC000061380776 523616342 /nfs/dbraw/zinc/61/63/42/523616342.db2.gz RRCIQRPFOKQOQL-INIZCTEOSA-N 0 3 294.439 2.381 10 0 CEAEHN CCn1nccc1[C@H](N)Cc1cc(F)cc(F)c1 ZINC000069471508 523746041 /nfs/dbraw/zinc/74/60/41/523746041.db2.gz ZEDNQKWVQJWJFN-GFCCVEGCSA-N 0 3 251.280 2.424 10 0 CEAEHN COCCN(c1cc(Cl)ccc1CN)[C@H](C)COC ZINC000062786981 523782931 /nfs/dbraw/zinc/78/29/31/523782931.db2.gz WEYKPCQOCCITPP-LLVKDONJSA-N 0 3 286.803 2.286 10 0 CEAEHN CC[C@H](C)N(CCOC)C(=O)[C@H](CN)c1ccccc1 ZINC000061612988 523937690 /nfs/dbraw/zinc/93/76/90/523937690.db2.gz AXJUSWXEBPOZEL-DZGCQCFKSA-N 0 3 278.396 2.002 10 0 CEAEHN COCCNCc1c(Cl)cccc1-n1nc(C)nc1C ZINC000062738797 523947604 /nfs/dbraw/zinc/94/76/04/523947604.db2.gz CPZVCCQBAVADTP-UHFFFAOYSA-N 0 3 294.786 2.274 10 0 CEAEHN COCCNCc1ccc(-n2cc(Cl)cn2)c(F)c1 ZINC000062738676 523951503 /nfs/dbraw/zinc/95/15/03/523951503.db2.gz IPMGIIGQPOASOA-UHFFFAOYSA-N 0 3 283.734 2.401 10 0 CEAEHN COCCNCc1ccccc1O[C@@H]1CCCC[C@@H]1O ZINC000062729590 523955648 /nfs/dbraw/zinc/95/56/48/523955648.db2.gz JHFOODCQSPUCCC-GOEBONIOSA-N 0 3 279.380 2.105 10 0 CEAEHN COCCNCc1ccccc1OCCOC(C)C ZINC000062729692 523955779 /nfs/dbraw/zinc/95/57/79/523955779.db2.gz DJZAKKGKLDCFRX-UHFFFAOYSA-N 0 3 267.369 2.226 10 0 CEAEHN CCc1ccc([C@H](C)N[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135939 524047487 /nfs/dbraw/zinc/04/74/87/524047487.db2.gz MUSYGNIFHNQGAN-WFASDCNBSA-N 0 3 281.421 2.477 10 0 CEAEHN CCc1cccc(C)c1NS(=O)(=O)CCNC(C)C ZINC000049632360 524066191 /nfs/dbraw/zinc/06/61/91/524066191.db2.gz CELWJMYFONTQNC-UHFFFAOYSA-N 0 3 284.425 2.297 10 0 CEAEHN CNC(=O)[C@@H](CC(C)C)NCc1cccc2cnccc21 ZINC000061125299 524080969 /nfs/dbraw/zinc/08/09/69/524080969.db2.gz PERPXAPJRDWICO-MRXNPFEDSA-N 0 3 285.391 2.485 10 0 CEAEHN COc1cccc([C@H](O)[C@@H](N)c2ccccc2)c1OC ZINC000054681692 524166158 /nfs/dbraw/zinc/16/61/58/524166158.db2.gz PVPDCKSZNVERNO-GJZGRUSLSA-N 0 3 273.332 2.437 10 0 CEAEHN Cc1cccc(C(=O)Nc2cc(CN)ccc2C)n1 ZINC000050430709 524216610 /nfs/dbraw/zinc/21/66/10/524216610.db2.gz MBTSRAOWLDSVBX-UHFFFAOYSA-N 0 3 255.321 2.409 10 0 CEAEHN C[C@H]1CCC[C@](CO)(NCC(=O)Nc2ccccc2F)C1 ZINC000053126536 524225141 /nfs/dbraw/zinc/22/51/41/524225141.db2.gz RXSGCFWDJVJOII-LRDDRELGSA-N 0 3 294.370 2.295 10 0 CEAEHN Cc1cc(C)c(CN)c(N(CCO)Cc2ccccc2)n1 ZINC000050513800 524261030 /nfs/dbraw/zinc/26/10/30/524261030.db2.gz NOPJHWXTLUPRFC-UHFFFAOYSA-N 0 3 285.391 2.156 10 0 CEAEHN C[C@H](CN1CCCC1)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049151448 524319665 /nfs/dbraw/zinc/31/96/65/524319665.db2.gz PRMKRZVVNRNMOC-UKRRQHHQSA-N 0 3 287.407 2.168 10 0 CEAEHN Cc1cccc(CCC(=O)N2[C@H](C)CNC[C@H]2C)c1 ZINC000069132635 524348224 /nfs/dbraw/zinc/34/82/24/524348224.db2.gz XNKGBMLQHGAARS-ZIAGYGMSSA-N 0 3 260.381 2.136 10 0 CEAEHN COc1ccccc1CN(C)Cc1cccnc1CN ZINC000061656680 524438155 /nfs/dbraw/zinc/43/81/55/524438155.db2.gz NWQFGBCSOQRHIH-UHFFFAOYSA-N 0 3 271.364 2.181 10 0 CEAEHN COc1ccccc1N(C)C(=O)[C@@H](CN)c1ccccc1 ZINC000061613225 524524004 /nfs/dbraw/zinc/52/40/04/524524004.db2.gz LBRMMGJFZAYOKZ-AWEZNQCLSA-N 0 3 284.359 2.401 10 0 CEAEHN COc1ccccc1N(C)Cc1cccnc1CN ZINC000061656894 524525308 /nfs/dbraw/zinc/52/53/08/524525308.db2.gz FFCXFWZBMFZMND-UHFFFAOYSA-N 0 3 257.337 2.185 10 0 CEAEHN C[C@@H](CN1CCCC1)Nc1ccc(C(N)=S)cc1F ZINC000049186049 524595664 /nfs/dbraw/zinc/59/56/64/524595664.db2.gz KVMKJNRVPNGMIG-JTQLQIEISA-N 0 3 281.400 2.356 10 0 CEAEHN Cc1cccc(NC(=O)CN[C@@H](C)CN2CCCCC2)c1 ZINC000049501866 524597052 /nfs/dbraw/zinc/59/70/52/524597052.db2.gz AAZOHCNPNIXDOB-HNNXBMFYSA-N 0 3 289.423 2.398 10 0 CEAEHN COc1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1O ZINC000061611786 524608611 /nfs/dbraw/zinc/60/86/11/524608611.db2.gz JUDBFKDQGVSVGT-CYBMUJFWSA-N 0 3 286.331 2.082 10 0 CEAEHN C[C@@H](CN1CCCCC1)N1C(=S)N=NC1C1CC1 ZINC000049502282 524610087 /nfs/dbraw/zinc/61/00/87/524610087.db2.gz WDYDNJMMDDEWHZ-JTQLQIEISA-N 0 3 266.414 2.491 10 0 CEAEHN C[C@@H](CN1CCCCC1)Nc1nc(Cl)nc(Cl)n1 ZINC000061518682 524610255 /nfs/dbraw/zinc/61/02/55/524610255.db2.gz VMUZKBGMGVLGDD-QMMMGPOBSA-N 0 3 290.198 2.465 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2ccc3ncccc3c2)C[C@H](C)O1 ZINC000069502195 524664002 /nfs/dbraw/zinc/66/40/02/524664002.db2.gz NKGDAKMFODAJTQ-DCGLDWPTSA-N 0 3 285.391 2.344 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)Nc1cccc(F)c1 ZINC000069133521 524697680 /nfs/dbraw/zinc/69/76/80/524697680.db2.gz HNDXVSMVEPJBDY-UWVGGRQHSA-N 0 3 251.305 2.040 10 0 CEAEHN COc1ccccc1S(=O)(=O)Cc1ccccc1CN ZINC000068609425 524699246 /nfs/dbraw/zinc/69/92/46/524699246.db2.gz LHSVUAXJMRXGCJ-UHFFFAOYSA-N 0 3 291.372 2.128 10 0 CEAEHN Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)oc1CN ZINC000052573145 524699329 /nfs/dbraw/zinc/69/93/29/524699329.db2.gz FHHANTFCYJNLCE-UONOGXRCSA-N 0 3 264.369 2.190 10 0 CEAEHN Cc1cc(CN2CCS(=O)CC2)oc1CNC(C)(C)C ZINC000052516582 524704304 /nfs/dbraw/zinc/70/43/04/524704304.db2.gz QKDJYPMCRSKAGT-UHFFFAOYSA-N 0 3 298.452 2.040 10 0 CEAEHN COc1ccc([O-])c(C(=O)Nc2cc(C[NH3+])ccc2C)c1 ZINC000050430599 524732321 /nfs/dbraw/zinc/73/23/21/524732321.db2.gz LEWFJWYWTUBLRS-UHFFFAOYSA-N 0 3 286.331 2.420 10 0 CEAEHN Cc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049631632 524758539 /nfs/dbraw/zinc/75/85/39/524758539.db2.gz UOJNDZMHFHVNDU-NSHDSACASA-N 0 3 288.800 2.142 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(=O)[O-])[NH+](CC1CC1)CC1CC1 ZINC000068647975 524852402 /nfs/dbraw/zinc/85/24/02/524852402.db2.gz MYOZOTYXJIRFEO-YVEFUNNKSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H]1CN(c2cccc(OC(F)(F)F)c2)CCN1 ZINC000061703124 525067385 /nfs/dbraw/zinc/06/73/85/525067385.db2.gz KVTAFXMMVWDQBR-SECBINFHSA-N 0 3 260.259 2.383 10 0 CEAEHN COc1ccc(SCC[C@H](NC(C)C)C(N)=O)cc1 ZINC000062599146 525104925 /nfs/dbraw/zinc/10/49/25/525104925.db2.gz COGDMFFWAAOSOU-ZDUSSCGKSA-N 0 3 282.409 2.029 10 0 CEAEHN COc1ccc(SCC[C@@H](NC(C)C)C(N)=O)cc1 ZINC000062599147 525105199 /nfs/dbraw/zinc/10/51/99/525105199.db2.gz COGDMFFWAAOSOU-CYBMUJFWSA-N 0 3 282.409 2.029 10 0 CEAEHN Cc1ccccc1CNC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051091468 525166151 /nfs/dbraw/zinc/16/61/51/525166151.db2.gz MPEUOZJZDWBSJQ-UHFFFAOYSA-N 0 3 290.754 2.259 10 0 CEAEHN C[C@]1(c2ccccc2)CN(CC(F)(F)F)CCN1 ZINC000068693665 525330855 /nfs/dbraw/zinc/33/08/55/525330855.db2.gz DAVBZCGYRFFAAO-GFCCVEGCSA-N 0 3 258.287 2.369 10 0 CEAEHN Cc1ccn(-c2nc(C)cc(C)c2CNC2CC2)n1 ZINC000052885159 525568400 /nfs/dbraw/zinc/56/84/00/525568400.db2.gz AAUOIIHKWPOZDL-UHFFFAOYSA-N 0 3 256.353 2.445 10 0 CEAEHN C[C@H](N[C@H]1CCCc2sccc21)C(=O)NC1CC1 ZINC000061362444 525613532 /nfs/dbraw/zinc/61/35/32/525613532.db2.gz XAPVNPAFAPBORZ-CABZTGNLSA-N 0 3 264.394 2.382 10 0 CEAEHN CSC[C@H](C)CNCc1cc(C(N)=O)ccc1F ZINC000069447442 525681321 /nfs/dbraw/zinc/68/13/21/525681321.db2.gz OBOPVZHZPSQUER-SECBINFHSA-N 0 3 270.373 2.013 10 0 CEAEHN C[C@@](O)(CNCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000061674857 525775956 /nfs/dbraw/zinc/77/59/56/525775956.db2.gz BXJSVXRIRYUETQ-QGZVFWFLSA-N 0 3 285.343 2.413 10 0 CEAEHN Cc1ccc2c(c1)nc(N)n2Cc1cnc(C)cn1 ZINC000061322034 526220211 /nfs/dbraw/zinc/22/02/11/526220211.db2.gz XOSJUSHPIDUBDV-UHFFFAOYSA-N 0 3 253.309 2.074 10 0 CEAEHN COc1cccc(O[C@H](C)C[C@@](C)(NC(C)C)C(N)=O)c1 ZINC000068655592 526240305 /nfs/dbraw/zinc/24/03/05/526240305.db2.gz LMXFFIPUQPCVLD-MLGOLLRUSA-N 0 3 294.395 2.095 10 0 CEAEHN Cc1nn(Cc2nc(NN)ccc2Cl)c(C)c1C ZINC000061639377 526298925 /nfs/dbraw/zinc/29/89/25/526298925.db2.gz KQCOFQJHIFMQFV-UHFFFAOYSA-N 0 3 265.748 2.191 10 0 CEAEHN Oc1cccc2c1CC[C@H]2NCCN1CCCCC1 ZINC000049574820 526368667 /nfs/dbraw/zinc/36/86/67/526368667.db2.gz UNSWUPUPXLTLBX-OAHLLOKOSA-N 0 3 260.381 2.455 10 0 CEAEHN Cc1nnc(Oc2cccc(F)c2F)c(C(=N)N)c1C ZINC000062615507 526376915 /nfs/dbraw/zinc/37/69/15/526376915.db2.gz LYILYCSINBRHDW-UHFFFAOYSA-N 0 3 278.262 2.448 10 0 CEAEHN Cc1oc(CN)cc1CN1CCN(C2CCCC2)CC1 ZINC000052573508 526769344 /nfs/dbraw/zinc/76/93/44/526769344.db2.gz FTPNRLUNNQGSFT-UHFFFAOYSA-N 0 3 277.412 2.107 10 0 CEAEHN N=C(N)c1ncccc1COCc1ccccc1F ZINC000069284569 526825308 /nfs/dbraw/zinc/82/53/08/526825308.db2.gz IHQIBIZQNDERTK-UHFFFAOYSA-N 0 3 259.284 2.222 10 0 CEAEHN NC[C@H](c1csc2ccccc12)N1CCOCC1 ZINC000054463829 527230660 /nfs/dbraw/zinc/23/06/60/527230660.db2.gz ASMQRTZCRLWCOY-CYBMUJFWSA-N 0 3 262.378 2.233 10 0 CEAEHN Cn1cc(C[C@H](N)c2ccc(Cl)cc2F)cn1 ZINC000062785823 527232734 /nfs/dbraw/zinc/23/27/34/527232734.db2.gz YDVJMWQKDDBHLS-LBPRGKRZSA-N 0 3 253.708 2.455 10 0 CEAEHN NCc1cc(Cl)ccc1N(CC(N)=O)C1CCCC1 ZINC000052857393 527246968 /nfs/dbraw/zinc/24/69/68/527246968.db2.gz IWEWNQKUINIBFK-UHFFFAOYSA-N 0 3 281.787 2.033 10 0 CEAEHN NCc1ccccc1NC(=O)CN1Cc2ccccc2C1 ZINC000050910511 527260873 /nfs/dbraw/zinc/26/08/73/527260873.db2.gz PMWHYLWZKBEYGQ-UHFFFAOYSA-N 0 3 281.359 2.100 10 0 CEAEHN NCc1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000054716745 527264732 /nfs/dbraw/zinc/26/47/32/527264732.db2.gz NYJCFTFVWVFCJE-UHFFFAOYSA-N 0 3 255.243 2.409 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000069052705 527279223 /nfs/dbraw/zinc/27/92/23/527279223.db2.gz WJHNVUNQNQMXNL-FFSVYQOJSA-N 0 3 268.360 2.483 10 0 CEAEHN Cc1nccc(Cn2c(N)nc3ccc(F)c(F)c32)n1 ZINC000053170295 527344535 /nfs/dbraw/zinc/34/45/35/527344535.db2.gz NDYIPTZBEDYILU-UHFFFAOYSA-N 0 3 275.262 2.043 10 0 CEAEHN Nc1cccnc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC000061702150 527530707 /nfs/dbraw/zinc/53/07/07/527530707.db2.gz XJGJPXLWBJDPET-AWEZNQCLSA-N 0 3 269.348 2.317 10 0 CEAEHN OCCC[C@@H]1CCCN1Cc1ccc2c(c1)OCO2 ZINC000052762112 527544193 /nfs/dbraw/zinc/54/41/93/527544193.db2.gz AUXXBPGXQDUCAX-ZDUSSCGKSA-N 0 3 263.337 2.152 10 0 CEAEHN OCCn1cc(CN[C@@H]2CCCc3ccccc32)cn1 ZINC000068690582 527575900 /nfs/dbraw/zinc/57/59/00/527575900.db2.gz LLJDRTJZWHXPHC-MRXNPFEDSA-N 0 3 271.364 2.043 10 0 CEAEHN OC[C@@H](NC[C@H]1CCCO1)c1cccc2cccnc21 ZINC000069504732 527582408 /nfs/dbraw/zinc/58/24/08/527582408.db2.gz WFQURJXNJXWUQF-UKRRQHHQSA-N 0 3 272.348 2.037 10 0 CEAEHN Cn1nccc1[C@H](N)C1(c2ccccc2)CCOCC1 ZINC000069468043 527628575 /nfs/dbraw/zinc/62/85/75/527628575.db2.gz WZGINBWMEOIIHT-HNNXBMFYSA-N 0 3 271.364 2.168 10 0 CEAEHN FC(F)(F)COCCN1CCN[C@H](c2ccccc2)C1 ZINC000068693544 527669733 /nfs/dbraw/zinc/66/97/33/527669733.db2.gz SAIODUNJUHNEKQ-ZDUSSCGKSA-N 0 3 288.313 2.212 10 0 CEAEHN Cc1nn(C)c(N2CC[C@@H](c3ccccc3)C2)c1CN ZINC000050600325 527676883 /nfs/dbraw/zinc/67/68/83/527676883.db2.gz OIOAIYZUTNWYAO-CQSZACIVSA-N 0 3 270.380 2.181 10 0 CEAEHN FC(F)Oc1ccccc1-c1cc(N2CCNCC2)n[nH]1 ZINC000062669943 527697144 /nfs/dbraw/zinc/69/71/44/527697144.db2.gz HEIUDTSPQSXDGY-UHFFFAOYSA-N 0 3 294.305 2.088 10 0 CEAEHN CCCC(O)(CCC)CC(=O)N[C@H]1CCCN(CC)C1 ZINC000178517313 528009451 /nfs/dbraw/zinc/00/94/51/528009451.db2.gz WPPJPJBHCDFWSR-AWEZNQCLSA-N 0 3 284.444 2.308 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCS[C@H](C(C)C)C2)C1 ZINC000174234919 529088790 /nfs/dbraw/zinc/08/87/90/529088790.db2.gz HTLUWYBDFSBCPI-KBPBESRZSA-N 0 3 299.484 2.254 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2Cc3ccccc3C2)C1 ZINC000106334476 529089388 /nfs/dbraw/zinc/08/93/88/529089388.db2.gz OHQFZBIPMIPQPK-HNNXBMFYSA-N 0 3 273.380 2.196 10 0 CEAEHN CCN1CCC[C@H](NCc2cncc(Br)c2)C1 ZINC000157876836 529091335 /nfs/dbraw/zinc/09/13/35/529091335.db2.gz DCVMCXFYXVWXRR-ZDUSSCGKSA-N 0 3 298.228 2.418 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cccc(F)c2)[C@@H](C)C1 ZINC000155486678 529105297 /nfs/dbraw/zinc/10/52/97/529105297.db2.gz FPNHWEJQANFJHU-FZMZJTMJSA-N 0 3 264.344 2.284 10 0 CEAEHN C[C@@H](NC1CSC1)c1ccc2c(c1)OCCO2 ZINC000396444418 628225075 /nfs/dbraw/zinc/22/50/75/628225075.db2.gz CJHXFDASUZLJPY-SECBINFHSA-N 0 3 251.351 2.224 10 0 CEAEHN C[C@H](NC1CSC1)c1ccc2c(c1)OCCO2 ZINC000396444420 628225102 /nfs/dbraw/zinc/22/51/02/628225102.db2.gz CJHXFDASUZLJPY-VIFPVBQESA-N 0 3 251.351 2.224 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000237007594 629149886 /nfs/dbraw/zinc/14/98/86/629149886.db2.gz IEMSBPLBYRUMRX-LLVKDONJSA-N 0 3 266.389 2.075 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1F ZINC000261892673 629304754 /nfs/dbraw/zinc/30/47/54/629304754.db2.gz VSBAYANUZUKYQH-IAQYHMDHSA-N 0 3 294.370 2.065 10 0 CEAEHN Cc1ccccc1[C@H](C)NC[C@@H]1CCCS1(=O)=O ZINC000126841063 650975882 /nfs/dbraw/zinc/97/58/82/650975882.db2.gz IKELHCKRTKTUMH-STQMWFEESA-N 0 3 267.394 2.223 10 0 CEAEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc2ccccc2n1 ZINC000124508959 187140619 /nfs/dbraw/zinc/14/06/19/187140619.db2.gz VIRULNSLHMXRDR-TZMCWYRMSA-N 0 3 283.375 2.321 10 0 CEAEHN COCc1nc(N2CCCC[C@H]2C)sc1CN ZINC000082447179 178025900 /nfs/dbraw/zinc/02/59/00/178025900.db2.gz BWGOVUCBXGBLFX-SECBINFHSA-N 0 3 255.387 2.127 10 0 CEAEHN COCc1nc(N2CCCCCC2)sc1CN ZINC000082447341 178026842 /nfs/dbraw/zinc/02/68/42/178026842.db2.gz NKYSYFNXVJXMOT-UHFFFAOYSA-N 0 3 255.387 2.129 10 0 CEAEHN CN[C@@H](c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000082998675 178333029 /nfs/dbraw/zinc/33/30/29/178333029.db2.gz HAYAOPNIWFZNSN-OIBJUYFYSA-N 0 3 279.814 2.097 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000037799231 361941326 /nfs/dbraw/zinc/94/13/26/361941326.db2.gz VJHDGKORKUGXMR-ZDUSSCGKSA-N 0 3 284.787 2.305 10 0 CEAEHN C[C@H](NC(=O)CNC1CC1)c1cccc(Cl)c1 ZINC000037976049 361969544 /nfs/dbraw/zinc/96/95/44/361969544.db2.gz ZYCOGEYFBAYNIP-VIFPVBQESA-N 0 3 252.745 2.269 10 0 CEAEHN Cc1nccc(CNC[C@H]2CCOc3ccccc32)n1 ZINC000159049768 282184259 /nfs/dbraw/zinc/18/42/59/282184259.db2.gz DPFCHGPRLICICB-CYBMUJFWSA-N 0 3 269.348 2.441 10 0 CEAEHN C[C@H]1CC[C@@](N)(c2ncc(Br)cn2)C1 ZINC000307494535 539169426 /nfs/dbraw/zinc/16/94/26/539169426.db2.gz LPCGFQKTOAZTKV-XVKPBYJWSA-N 0 3 256.147 2.213 10 0 CEAEHN CCc1cc(Br)cc2c1NC[C@]21C[C@@H]1N ZINC000725247821 539192559 /nfs/dbraw/zinc/19/25/59/539192559.db2.gz ZQBSQBCRIXWFJW-CMPLNLGQSA-N 0 3 267.170 2.406 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2CCC[C@@H](O)C2)c1C ZINC000218812833 539247720 /nfs/dbraw/zinc/24/77/20/539247720.db2.gz JMIWELCQXZFJIK-LEWSCRJBSA-N 0 3 265.401 2.474 10 0 CEAEHN CC(C)CCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000132164440 539264948 /nfs/dbraw/zinc/26/49/48/539264948.db2.gz IHFQGOMEMIXGJH-KGLIPLIRSA-N 0 3 269.433 2.403 10 0 CEAEHN CCc1ncc(CN[C@H]2CCCC[C@H]2CO)s1 ZINC000084045712 539282243 /nfs/dbraw/zinc/28/22/43/539282243.db2.gz CQHOFMYLOXLEJB-JQWIXIFHSA-N 0 3 254.399 2.346 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1cc(F)ccc1F)N(C)C ZINC000127277234 365739233 /nfs/dbraw/zinc/73/92/33/365739233.db2.gz YDYAIKORKPOXRK-AWEZNQCLSA-N 0 3 284.350 2.354 10 0 CEAEHN COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(F)cc1 ZINC000013476910 343367582 /nfs/dbraw/zinc/36/75/82/343367582.db2.gz NTYATEQGMUSJQM-OLZOCXBDSA-N 0 3 251.301 2.034 10 0 CEAEHN NC1CN(Cc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000036430385 343423190 /nfs/dbraw/zinc/42/31/90/343423190.db2.gz FLROFNGUNBQOIE-UHFFFAOYSA-N 0 3 295.430 2.332 10 0 CEAEHN CCN(CC)CCOC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000029412318 343400084 /nfs/dbraw/zinc/40/00/84/343400084.db2.gz UFNOFMWCLJLPJI-AWEZNQCLSA-N 0 3 299.798 2.301 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007721 343425114 /nfs/dbraw/zinc/42/51/14/343425114.db2.gz QIHFJHXDBSRYRR-PRHODGIISA-N 0 3 256.296 2.269 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC000127293303 365741296 /nfs/dbraw/zinc/74/12/96/365741296.db2.gz LXDWKAWRJLNWTP-PWSUYJOCSA-N 0 3 293.436 2.479 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC/C=C/c2ccccc2)C1 ZINC000112745420 344275180 /nfs/dbraw/zinc/27/51/80/344275180.db2.gz RPEQEIABQLSJPR-VGZDNEPHSA-N 0 3 287.407 2.483 10 0 CEAEHN COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(C)c(F)c1 ZINC000114031466 344278923 /nfs/dbraw/zinc/27/89/23/344278923.db2.gz BGDRSBWHWDRRJM-OLZOCXBDSA-N 0 3 265.328 2.342 10 0 CEAEHN CCc1ccc(CNC[C@H]2CN(CC)CCO2)s1 ZINC000134476100 344373913 /nfs/dbraw/zinc/37/39/13/344373913.db2.gz OLFQYFLHVVANLY-LBPRGKRZSA-N 0 3 268.426 2.121 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cc(C)cc(C)c2)C1 ZINC000134434222 344374051 /nfs/dbraw/zinc/37/40/51/344374051.db2.gz RHKQFWTZFPAWBT-INIZCTEOSA-N 0 3 262.397 2.114 10 0 CEAEHN CCN1CCO[C@H](CNc2ccnc3ccccc32)C1 ZINC000134510168 344374917 /nfs/dbraw/zinc/37/49/17/344374917.db2.gz GHKWUKSBHJIHLR-CYBMUJFWSA-N 0 3 271.364 2.367 10 0 CEAEHN Cc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)c(OCCN(C)C)c1 ZINC000154618533 344435478 /nfs/dbraw/zinc/43/54/78/344435478.db2.gz DYBAEOKVICCBPY-GXTWGEPZSA-N 0 3 291.395 2.465 10 0 CEAEHN NCc1ccc(C(F)(F)F)cc1N1CCOCC1 ZINC000145940406 344409671 /nfs/dbraw/zinc/40/96/71/344409671.db2.gz JWIWXEFHVPQXGN-UHFFFAOYSA-N 0 3 260.259 2.001 10 0 CEAEHN C[C@@H]1CN[C@]2(CCCN(C(=O)OC(C)(C)C)C2)S1 ZINC000159137316 344453889 /nfs/dbraw/zinc/45/38/89/344453889.db2.gz MTOSODIIGDSUHS-ZWNOBZJWSA-N 0 3 272.414 2.439 10 0 CEAEHN CCOC(=O)[C@H](C)C[C@H](N)c1c(OC)cccc1OC ZINC000167821744 344479249 /nfs/dbraw/zinc/47/92/49/344479249.db2.gz DDXVDPMWBLARCZ-MNOVXSKESA-N 0 3 281.352 2.293 10 0 CEAEHN Cc1cc(N(C)CCN(C)C)nc2ccc(N)cc12 ZINC000168676414 344481135 /nfs/dbraw/zinc/48/11/35/344481135.db2.gz GEBDBJVPIAEUIU-UHFFFAOYSA-N 0 3 258.369 2.123 10 0 CEAEHN CN1CCC[C@H]1CNc1nc(Br)cs1 ZINC000226095896 344548620 /nfs/dbraw/zinc/54/86/20/344548620.db2.gz UOTRPEWFMXZTEZ-ZETCQYMHSA-N 0 3 276.203 2.412 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1C[C@H](OCC)C1(CC)CC ZINC000262110441 344653804 /nfs/dbraw/zinc/65/38/04/344653804.db2.gz GXXBXBIZKUXPJM-AVGNSLFASA-N 0 3 270.417 2.214 10 0 CEAEHN CCN[C@@H](c1ccc(OC)cc1)[C@H](C)[S@](C)=O ZINC000084046769 178778293 /nfs/dbraw/zinc/77/82/93/178778293.db2.gz GOLUGJJWGJPINM-MNRXQERYSA-N 0 3 255.383 2.113 10 0 CEAEHN COC(=O)CCCCCCc1cccnc1CN ZINC000584652316 344973430 /nfs/dbraw/zinc/97/34/30/344973430.db2.gz OJEXVWHUOWPZGJ-UHFFFAOYSA-N 0 3 250.342 2.206 10 0 CEAEHN COC(=O)c1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000592180028 345334838 /nfs/dbraw/zinc/33/48/38/345334838.db2.gz GCTIVYGWBDRSDI-ZLKJLUDKSA-N 0 3 260.337 2.146 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)C2CCCCC2)C1 ZINC000057870604 362598128 /nfs/dbraw/zinc/59/81/28/362598128.db2.gz BNASCVOQKKNAJI-ZDUSSCGKSA-N 0 3 267.417 2.445 10 0 CEAEHN NCc1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 ZINC000074335853 136483791 /nfs/dbraw/zinc/48/37/91/136483791.db2.gz RDUDRHLNJNWTNW-UHFFFAOYSA-N 0 3 268.316 2.071 10 0 CEAEHN CCn1nc(C)cc1C[C@@H](NC)c1c(C)nn(C)c1C ZINC000097281543 185579047 /nfs/dbraw/zinc/57/90/47/185579047.db2.gz WYJQQGLZCAZHSE-CQSZACIVSA-N 0 3 275.400 2.065 10 0 CEAEHN CCc1nnsc1[C@@H](Cc1cc(C)nn1CC)NC ZINC000097281362 185578447 /nfs/dbraw/zinc/57/84/47/185578447.db2.gz QVNPELLEROXFHO-GFCCVEGCSA-N 0 3 279.413 2.129 10 0 CEAEHN CN[C@@H](c1ccc(OC2CC2)cc1)c1ccnnc1 ZINC000097454674 185609398 /nfs/dbraw/zinc/60/93/98/185609398.db2.gz JSJBRGGUVVQDGZ-HNNXBMFYSA-N 0 3 255.321 2.327 10 0 CEAEHN COCCn1ncc(Cl)c1[C@@H](N)CCc1ccco1 ZINC000097461839 185611252 /nfs/dbraw/zinc/61/12/52/185611252.db2.gz YBNGRZAOYOBHKN-LBPRGKRZSA-N 0 3 283.759 2.409 10 0 CEAEHN C[C@@H](NCCn1cc(Cl)cn1)c1cncc(F)c1 ZINC000336787222 365807026 /nfs/dbraw/zinc/80/70/26/365807026.db2.gz DMOFTHQOUBGMSP-SECBINFHSA-N 0 3 268.723 2.421 10 0 CEAEHN Cc1ccc(F)c(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000085560176 179093906 /nfs/dbraw/zinc/09/39/06/179093906.db2.gz PPPPDJDDOIOKPW-MEDUHNTESA-N 0 3 294.370 2.288 10 0 CEAEHN CC(C)c1nc2c(n1CCN1CCCCC1)CCNC2 ZINC000085572732 179097139 /nfs/dbraw/zinc/09/71/39/179097139.db2.gz DGRANCFXDVHOKC-UHFFFAOYSA-N 0 3 276.428 2.138 10 0 CEAEHN CCN1CCC[C@@H](n2c3c(nc2C(C)C)CNCC3)C1 ZINC000085572807 179098467 /nfs/dbraw/zinc/09/84/67/179098467.db2.gz NYSAEVPXYSWCTR-CYBMUJFWSA-N 0 3 276.428 2.309 10 0 CEAEHN Cc1cc([C@H]2NC(=O)CC[C@@H]2N)ccc1Br ZINC000085708902 179122779 /nfs/dbraw/zinc/12/27/79/179122779.db2.gz ICTYAQOOMIQBGV-CMPLNLGQSA-N 0 3 283.169 2.036 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(Br)c(C)n1 ZINC000085729077 179131865 /nfs/dbraw/zinc/13/18/65/179131865.db2.gz AQFCRDDFZSIOOS-UHFFFAOYSA-N 0 3 286.173 2.089 10 0 CEAEHN COc1ccc(F)cc1CN[C@H]1CCCC[C@H]1CO ZINC000336818298 365863176 /nfs/dbraw/zinc/86/31/76/365863176.db2.gz UXQPPOMCALXJGZ-FZMZJTMJSA-N 0 3 267.344 2.475 10 0 CEAEHN COc1c(C)cnc(CNC[C@@H]2CCCC[C@@H]2O)c1C ZINC000085984801 179211792 /nfs/dbraw/zinc/21/17/92/179211792.db2.gz MGSWCAXSLILWSN-ZFWWWQNUSA-N 0 3 278.396 2.348 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000086020327 179217869 /nfs/dbraw/zinc/21/78/69/179217869.db2.gz SYLYDXMIMIFCAT-HZPDHXFCSA-N 0 3 293.432 2.261 10 0 CEAEHN C[C@@H]1[C@@H](C)CC[C@@H]1NCc1cc(C(N)=O)ccc1F ZINC000086077835 179226013 /nfs/dbraw/zinc/22/60/13/179226013.db2.gz YVVWKCNDEIPMMI-RBZYPMLTSA-N 0 3 264.344 2.449 10 0 CEAEHN CCN[C@@H](c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086021236 179218420 /nfs/dbraw/zinc/21/84/20/179218420.db2.gz FNTQKKQOKGQCGX-GZMMTYOYSA-N 0 3 293.841 2.487 10 0 CEAEHN N[C@@H](c1ccc(F)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086022851 179218631 /nfs/dbraw/zinc/21/86/31/179218631.db2.gz VAZQCLJEDNYBQB-MEBBXXQBSA-N 0 3 293.363 2.413 10 0 CEAEHN N[C@H](c1ccc(F)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086022863 179218720 /nfs/dbraw/zinc/21/87/20/179218720.db2.gz VAZQCLJEDNYBQB-BONVTDFDSA-N 0 3 293.363 2.413 10 0 CEAEHN CCC(CC)N1C(=O)C[C@H](NC(C)(C)CC)C1=O ZINC000102669868 185785375 /nfs/dbraw/zinc/78/53/75/185785375.db2.gz XOTPDLGUGMCLDL-NSHDSACASA-N 0 3 254.374 2.081 10 0 CEAEHN Cc1nccc(CN2CCN[C@](C)(c3ccccc3)C2)n1 ZINC000086146277 179238330 /nfs/dbraw/zinc/23/83/30/179238330.db2.gz AKIFWRBMVQPKTL-KRWDZBQOSA-N 0 3 282.391 2.106 10 0 CEAEHN Cn1cc([C@@H]2CCN(Cc3c[nH]nc3C(C)(C)C)C2)cn1 ZINC000128495196 187374695 /nfs/dbraw/zinc/37/46/95/187374695.db2.gz GWAAOISDRMWDIX-GFCCVEGCSA-N 0 3 287.411 2.430 10 0 CEAEHN COc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128507898 187375497 /nfs/dbraw/zinc/37/54/97/187375497.db2.gz ZTYJLZYTJSTNJG-CQSZACIVSA-N 0 3 271.364 2.418 10 0 CEAEHN CC[C@@H]1CN[C@H](c2ccccc2)CN1Cc1nccn1C ZINC000086264841 179261205 /nfs/dbraw/zinc/26/12/05/179261205.db2.gz DKCDAJMDKZQBFE-CVEARBPZSA-N 0 3 284.407 2.345 10 0 CEAEHN C[C@@H]1CN[C@@](C)(c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265219 179262387 /nfs/dbraw/zinc/26/23/87/179262387.db2.gz JLLFEPIUGLKBMW-DJIMGWMZSA-N 0 3 274.408 2.375 10 0 CEAEHN CC1(C)CNCCN1c1nc(Br)cs1 ZINC000086290993 179265331 /nfs/dbraw/zinc/26/53/31/179265331.db2.gz ZRBTWJRFJJWCDA-UHFFFAOYSA-N 0 3 276.203 2.094 10 0 CEAEHN CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3N)CCO1 ZINC000086442757 179294026 /nfs/dbraw/zinc/29/40/26/179294026.db2.gz ASVJDVFURYCQEG-UWVGGRQHSA-N 0 3 267.398 2.094 10 0 CEAEHN CCN(C[C@H]1CCCO1)c1nc2c(s1)CCC[C@@H]2N ZINC000086443307 179294069 /nfs/dbraw/zinc/29/40/69/179294069.db2.gz ZHIGJGOFIVHBLU-MNOVXSKESA-N 0 3 281.425 2.485 10 0 CEAEHN CCOC1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086443112 179294207 /nfs/dbraw/zinc/29/42/07/179294207.db2.gz JNLPQOREJLBVIX-NSHDSACASA-N 0 3 281.425 2.485 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(Cl)cn2)[C@H](CC)CN1 ZINC000086446644 179294889 /nfs/dbraw/zinc/29/48/89/179294889.db2.gz MFCBFOYJUCFBGY-VXGBXAGGSA-N 0 3 281.787 2.338 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1ccc(F)cc1 ZINC000086446310 179294909 /nfs/dbraw/zinc/29/49/09/179294909.db2.gz BBOBTGVMMXXEST-LSDHHAIUSA-N 0 3 278.371 2.357 10 0 CEAEHN CN(c1nc2c(s1)CCC[C@@H]2O)[C@@H]1CCCN(C)C1 ZINC000086444516 179294966 /nfs/dbraw/zinc/29/49/66/179294966.db2.gz YPPAHIKZSHAKNX-MNOVXSKESA-N 0 3 281.425 2.043 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)[C@H](CC)CN1 ZINC000086446598 179295104 /nfs/dbraw/zinc/29/51/04/179295104.db2.gz RUOQSBMSGDOGKL-CHWSQXEVSA-N 0 3 294.370 2.437 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cccn2C2CC2)[C@@H](CC)CN1 ZINC000086448009 179295505 /nfs/dbraw/zinc/29/55/05/179295505.db2.gz OYIONLMISIKOSZ-STQMWFEESA-N 0 3 275.396 2.426 10 0 CEAEHN CCCN[C@@H]1CCCc2sc(-c3nc[nH]n3)nc21 ZINC000086439985 179293143 /nfs/dbraw/zinc/29/31/43/179293143.db2.gz MHQWEMPFCOKVAQ-MRVPVSSYSA-N 0 3 263.370 2.305 10 0 CEAEHN CC(C)Oc1cccc(C(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000086467422 179297661 /nfs/dbraw/zinc/29/76/61/179297661.db2.gz TWZJVUPBZGDGBF-CHWSQXEVSA-N 0 3 276.380 2.296 10 0 CEAEHN COc1ccc([C@H](NCC(C)C)C(N)=O)cc1Cl ZINC000086595390 179311201 /nfs/dbraw/zinc/31/12/01/179311201.db2.gz NSYKOBRFLABUIA-LBPRGKRZSA-N 0 3 270.760 2.121 10 0 CEAEHN COCCN([C@@H](CN)c1ccc(OC)c(Cl)c1)C1CC1 ZINC000086594974 179311080 /nfs/dbraw/zinc/31/10/80/179311080.db2.gz APVDIGVEOHSURR-AWEZNQCLSA-N 0 3 298.814 2.459 10 0 CEAEHN C[C@H]1CN=C(NC[C@@H]2Cc3ccccc3O2)SC1 ZINC000086633266 179315244 /nfs/dbraw/zinc/31/52/44/179315244.db2.gz SWGRLZVZUDDNCO-JQWIXIFHSA-N 0 3 262.378 2.319 10 0 CEAEHN Cc1nnc(Sc2nc(C)c(C)c(C)n2)c(CN)c1C ZINC000086644045 179316069 /nfs/dbraw/zinc/31/60/69/179316069.db2.gz BKFOXQAVPLIBRX-UHFFFAOYSA-N 0 3 289.408 2.419 10 0 CEAEHN Cc1cccc(CN[C@@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086671437 179317847 /nfs/dbraw/zinc/31/78/47/179317847.db2.gz PKXRWIUHNMDKDT-ZIAGYGMSSA-N 0 3 267.394 2.050 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@@H]1NCCSc1ccccc1 ZINC000086675296 179318736 /nfs/dbraw/zinc/31/87/36/179318736.db2.gz GNJYLXZTNVAQLM-KBPBESRZSA-N 0 3 299.461 2.334 10 0 CEAEHN CCN1CC[C@@H](N[C@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897079 365940291 /nfs/dbraw/zinc/94/02/91/365940291.db2.gz OQTFJDOQTWJATB-CHWSQXEVSA-N 0 3 278.396 2.449 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000130327344 365945727 /nfs/dbraw/zinc/94/57/27/365945727.db2.gz NLRYCCLXWWKWHY-AWEZNQCLSA-N 0 3 271.368 2.073 10 0 CEAEHN CCCN[C@]1(c2nccs2)CCCN(C)CC1 ZINC000086833685 179350272 /nfs/dbraw/zinc/35/02/72/179350272.db2.gz YTBYGBRMZDCTDS-CYBMUJFWSA-N 0 3 253.415 2.454 10 0 CEAEHN CCCN1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000086843295 179352594 /nfs/dbraw/zinc/35/25/94/179352594.db2.gz QMWOTKUFSHNGMO-KBPBESRZSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CCC(=O)[O-])C2CC2)CC1 ZINC000086868717 179361975 /nfs/dbraw/zinc/36/19/75/179361975.db2.gz BYMYAKJUOVYQMT-ZDUSSCGKSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CCC(=O)[O-])C2CC2)CC1 ZINC000086868717 179361976 /nfs/dbraw/zinc/36/19/76/179361976.db2.gz BYMYAKJUOVYQMT-ZDUSSCGKSA-N 0 3 268.401 2.190 10 0 CEAEHN CCC[C@H]([NH2+][C@H]1CCCN(CCC)CC1)C(=O)[O-] ZINC000086868673 179362503 /nfs/dbraw/zinc/36/25/03/179362503.db2.gz PXJJWANKMOMXFV-STQMWFEESA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869202 179362584 /nfs/dbraw/zinc/36/25/84/179362584.db2.gz GNNWGQBZWLGPLB-ZIAGYGMSSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869202 179362586 /nfs/dbraw/zinc/36/25/86/179362586.db2.gz GNNWGQBZWLGPLB-ZIAGYGMSSA-N 0 3 268.401 2.190 10 0 CEAEHN COC(=O)[C@]1(NC2CCCC2)CCCN(C(C)C)CC1 ZINC000086850374 179358486 /nfs/dbraw/zinc/35/84/86/179358486.db2.gz DTHGORVQKDLMQT-INIZCTEOSA-N 0 3 282.428 2.325 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1cc(F)cc(F)c1 ZINC000086979091 179372590 /nfs/dbraw/zinc/37/25/90/179372590.db2.gz HFCDFXYRBFDXMG-LBPRGKRZSA-N 0 3 277.336 2.180 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1ccc2ccccc2n1 ZINC000086979645 179373107 /nfs/dbraw/zinc/37/31/07/179373107.db2.gz JTBLCURWNJPSMG-ZDUSSCGKSA-N 0 3 292.404 2.450 10 0 CEAEHN CCc1nn(CC)c(C=C2CNC2)c1Br ZINC000086881941 179365429 /nfs/dbraw/zinc/36/54/29/179365429.db2.gz DZLUTGNWOOVIBL-UHFFFAOYSA-N 0 3 270.174 2.215 10 0 CEAEHN CN[C@@H](c1cnccc1C)[C@@H]1CSCCS1 ZINC000086984799 179373861 /nfs/dbraw/zinc/37/38/61/179373861.db2.gz LOJMBSYCWGOIFC-RYUDHWBXSA-N 0 3 254.424 2.499 10 0 CEAEHN N[C@@H]1CCCc2sc([C@H]3CSCCO3)nc21 ZINC000086989893 179374440 /nfs/dbraw/zinc/37/44/40/179374440.db2.gz OAJPVJVZNQXKER-HTQZYQBOSA-N 0 3 256.396 2.284 10 0 CEAEHN NCc1ccccc1CNC(=O)c1c(F)cc(F)cc1F ZINC000086997931 179377389 /nfs/dbraw/zinc/37/73/89/179377389.db2.gz GPPYZFBEYVWRAS-UHFFFAOYSA-N 0 3 294.276 2.493 10 0 CEAEHN CC1(C)CNC[C@@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087006456 179378317 /nfs/dbraw/zinc/37/83/17/179378317.db2.gz LWXFKBPGOGEEMU-AWEZNQCLSA-N 0 3 263.337 2.287 10 0 CEAEHN CC1(C)CNC[C@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087006454 179378507 /nfs/dbraw/zinc/37/85/07/179378507.db2.gz LWXFKBPGOGEEMU-CQSZACIVSA-N 0 3 263.337 2.287 10 0 CEAEHN C[C@@H](Oc1ccc(Br)cc1CN)[C@H](C)O ZINC000087125343 179396502 /nfs/dbraw/zinc/39/65/02/179396502.db2.gz CEUGAWHHDFALBX-JGVFFNPUSA-N 0 3 274.158 2.056 10 0 CEAEHN O[C@@]1(Cc2cccc(F)c2F)CCN(C2CC2)C1 ZINC000087166281 179398868 /nfs/dbraw/zinc/39/88/68/179398868.db2.gz UEIUHMBRPJQMIO-CQSZACIVSA-N 0 3 253.292 2.107 10 0 CEAEHN CCN1CCC[C@@H](NCc2nc3ccccc3n2C)C1 ZINC000066989203 362897790 /nfs/dbraw/zinc/89/77/90/362897790.db2.gz MRGSXLATZMKKFA-CYBMUJFWSA-N 0 3 272.396 2.147 10 0 CEAEHN CNCc1nn(CC[C@H]2CCCO2)c2ccccc12 ZINC000087278302 179407406 /nfs/dbraw/zinc/40/74/06/179407406.db2.gz WUVQNSFKTDCZPA-GFCCVEGCSA-N 0 3 259.353 2.325 10 0 CEAEHN c1nc([C@H]2CN(Cc3ccccc3)CCCO2)c[nH]1 ZINC000616650674 348547736 /nfs/dbraw/zinc/54/77/36/348547736.db2.gz CYCWXKDZCXLVKY-OAHLLOKOSA-N 0 3 257.337 2.373 10 0 CEAEHN c1ccc(CN2CCCO[C@@H](c3cncnc3)C2)cc1 ZINC000616651384 348548681 /nfs/dbraw/zinc/54/86/81/348548681.db2.gz NBMMVCOBTMUWFY-MRXNPFEDSA-N 0 3 269.348 2.440 10 0 CEAEHN CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CNCCN2)c1 ZINC000616654124 348549450 /nfs/dbraw/zinc/54/94/50/348549450.db2.gz MIHRUZDQCWCXOP-AWEZNQCLSA-N 0 3 291.395 2.292 10 0 CEAEHN CCN1CCOCC[C@H]1c1cnnc2ccccc21 ZINC000616597678 348529248 /nfs/dbraw/zinc/52/92/48/348529248.db2.gz ICQCJTPJQSGGIC-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(=O)[C@H]1CCCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616604031 348532192 /nfs/dbraw/zinc/53/21/92/348532192.db2.gz ZXFVZJMXAQOFQF-ZDUSSCGKSA-N 0 3 284.400 2.202 10 0 CEAEHN OCCN1CCCC[C@H]1c1cccc2ccnnc21 ZINC000616616687 348535877 /nfs/dbraw/zinc/53/58/77/348535877.db2.gz TUQPYQMRCCKYMB-AWEZNQCLSA-N 0 3 257.337 2.149 10 0 CEAEHN CCNCc1cnc([C@H]2COc3ccccc3C2)nc1 ZINC000088039869 179537899 /nfs/dbraw/zinc/53/78/99/179537899.db2.gz HZBOGZVYUVIDJK-CQSZACIVSA-N 0 3 269.348 2.305 10 0 CEAEHN COc1ccccc1[C@@](C)(N)Cc1ncnn1C(C)C ZINC000088607073 179636438 /nfs/dbraw/zinc/63/64/38/179636438.db2.gz CDTVVZXNFYXNBB-HNNXBMFYSA-N 0 3 274.368 2.284 10 0 CEAEHN CN[C@H](Cc1ncnn1CC(C)C)c1ccccc1OC ZINC000088609856 179637385 /nfs/dbraw/zinc/63/73/85/179637385.db2.gz QRSPMFXRMLURBN-CQSZACIVSA-N 0 3 288.395 2.446 10 0 CEAEHN CNCc1ccccc1S(=O)(=O)NC1CCCCC1 ZINC000088974951 179688357 /nfs/dbraw/zinc/68/83/57/179688357.db2.gz SROHYYQWDJUBJW-UHFFFAOYSA-N 0 3 282.409 2.017 10 0 CEAEHN CNCc1ccc(C)c(S(=O)(=O)N(C)CCC(C)C)c1 ZINC000088991631 179690120 /nfs/dbraw/zinc/69/01/20/179690120.db2.gz KKKAMFDQHVLSDM-UHFFFAOYSA-N 0 3 298.452 2.381 10 0 CEAEHN C[C@@H](N[C@H]1CCC(=O)NC1=O)c1ccc(C(C)(C)C)cc1 ZINC000089753236 179860347 /nfs/dbraw/zinc/86/03/47/179860347.db2.gz RGBMPTXTJMALGZ-RISCZKNCSA-N 0 3 288.391 2.440 10 0 CEAEHN C[C@]1(c2nc(-c3cccc(Cl)c3)no2)COC[C@@H]1N ZINC000090573281 180007793 /nfs/dbraw/zinc/00/77/93/180007793.db2.gz JEQHBEYUJCRTPO-GWCFXTLKSA-N 0 3 279.727 2.005 10 0 CEAEHN CCCCc1ccc(NC(=O)[C@@]2(C)COC[C@H]2N)cc1 ZINC000090582911 180008197 /nfs/dbraw/zinc/00/81/97/180008197.db2.gz ROYLSMDEBDPNJI-ZBFHGGJFSA-N 0 3 276.380 2.332 10 0 CEAEHN C[C@]1(C(=O)Nc2ccccc2C(F)(F)F)COC[C@@H]1N ZINC000090580299 180008500 /nfs/dbraw/zinc/00/85/00/180008500.db2.gz LLSWDPUZTJBTEQ-JQWIXIFHSA-N 0 3 288.269 2.008 10 0 CEAEHN C[C@@]1(C(=O)Nc2cccc(C(F)(F)F)c2)COC[C@H]1N ZINC000090580316 180008534 /nfs/dbraw/zinc/00/85/34/180008534.db2.gz WBHOXGSNOZTTIZ-ZYHUDNBSSA-N 0 3 288.269 2.008 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)COC[C@H]1N ZINC000090580569 180008757 /nfs/dbraw/zinc/00/87/57/180008757.db2.gz IGHGYOCLQOOOMQ-PWSUYJOCSA-N 0 3 288.269 2.008 10 0 CEAEHN C[C@]1(C(=O)Nc2c(Cl)cccc2Cl)COC[C@@H]1N ZINC000090605893 180010908 /nfs/dbraw/zinc/01/09/08/180010908.db2.gz MAQSWXOEALFRCG-CABZTGNLSA-N 0 3 289.162 2.296 10 0 CEAEHN CN1CCN(CC/C=C/c2ccc(C=O)cc2)CC1 ZINC000090669054 180020203 /nfs/dbraw/zinc/02/02/03/180020203.db2.gz YQPHSAUNPMIAQA-DUXPYHPUSA-N 0 3 258.365 2.150 10 0 CEAEHN CCOc1cc(N[C@@H](C)CN2CCCCC2)nc(C)n1 ZINC000090792148 180042895 /nfs/dbraw/zinc/04/28/95/180042895.db2.gz ZMMOPWXDUBZKKS-LBPRGKRZSA-N 0 3 278.400 2.470 10 0 CEAEHN O=S(=O)(CC[C@@H]1CCCC[NH2+]1)[N-]c1ccsc1 ZINC000090868006 180048580 /nfs/dbraw/zinc/04/85/80/180048580.db2.gz BDNQFXPWAPAQEO-JTQLQIEISA-N 0 3 274.411 2.022 10 0 CEAEHN COCCNCc1cccc(SCC(=O)NC(C)C)c1 ZINC000090873280 180049909 /nfs/dbraw/zinc/04/99/09/180049909.db2.gz ZXJPFHHYZRYARJ-UHFFFAOYSA-N 0 3 296.436 2.039 10 0 CEAEHN CCNCc1cnn(C[C@H]2Cc3ccccc3O2)c1C ZINC000090877743 180051858 /nfs/dbraw/zinc/05/18/58/180051858.db2.gz NJNAWRVWNUHKNZ-OAHLLOKOSA-N 0 3 271.364 2.305 10 0 CEAEHN CC(C)N(CCO)C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090900896 180058615 /nfs/dbraw/zinc/05/86/15/180058615.db2.gz BYLMVLPHGFYUIX-CYBMUJFWSA-N 0 3 269.772 2.346 10 0 CEAEHN OC[C@@H]1CCCN1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090901080 180058934 /nfs/dbraw/zinc/05/89/34/180058934.db2.gz UDKBYYUYLPMZDM-STQMWFEESA-N 0 3 267.756 2.100 10 0 CEAEHN CNCc1cnn(C[C@H]2Cc3cc(C)ccc3O2)c1C ZINC000090901913 180059208 /nfs/dbraw/zinc/05/92/08/180059208.db2.gz IIVAUKGOLWLCEY-OAHLLOKOSA-N 0 3 271.364 2.223 10 0 CEAEHN N[C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907532 180061702 /nfs/dbraw/zinc/06/17/02/180061702.db2.gz HNQHYZWMGFYKOV-ZOWXZIJZSA-N 0 3 264.344 2.079 10 0 CEAEHN CCNCc1oc(CN2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090907971 180061994 /nfs/dbraw/zinc/06/19/94/180061994.db2.gz ANNOUITUKVFTQC-BETUJISGSA-N 0 3 264.369 2.061 10 0 CEAEHN CC(C)CNCc1nccn1CCc1ccncc1 ZINC000091002810 180084061 /nfs/dbraw/zinc/08/40/61/180084061.db2.gz FXHKFTZXFTYNJH-UHFFFAOYSA-N 0 3 258.369 2.266 10 0 CEAEHN CCn1ccc(CN[C@H](CC(C)C)C(=O)N(C)C)c1 ZINC000091010318 180086324 /nfs/dbraw/zinc/08/63/24/180086324.db2.gz FHCXJXIXIKFHTE-CQSZACIVSA-N 0 3 265.401 2.101 10 0 CEAEHN O=C(Nc1cccc(CO)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091359826 180140279 /nfs/dbraw/zinc/14/02/79/180140279.db2.gz ARZUNBIOJPVPED-BPUTZDHNSA-N 0 3 288.391 2.428 10 0 CEAEHN Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)no1 ZINC000091358729 180140714 /nfs/dbraw/zinc/14/07/14/180140714.db2.gz CPKAGJIQGYTDBN-SRVKXCTJSA-N 0 3 263.341 2.232 10 0 CEAEHN COc1ccccc1[C@@H](N)CSC[C@H](C)CO ZINC000091261598 180116000 /nfs/dbraw/zinc/11/60/00/180116000.db2.gz GEKRVWGFVHOIFC-PWSUYJOCSA-N 0 3 255.383 2.057 10 0 CEAEHN CC(C)n1cncc1[C@@H](CO)NC1CCCCC1 ZINC000091273833 180117842 /nfs/dbraw/zinc/11/78/42/180117842.db2.gz VGOCDXGNQSPXMY-CYBMUJFWSA-N 0 3 251.374 2.420 10 0 CEAEHN O[C@H](c1cncn1C1CC1)[C@H]1NCc2ccccc21 ZINC000091277438 180120472 /nfs/dbraw/zinc/12/04/72/180120472.db2.gz OYVGVQQWKVKDTA-LSDHHAIUSA-N 0 3 255.321 2.096 10 0 CEAEHN CC[C@H](NC(=O)C[C@H]1CSCCN1)c1cccs1 ZINC000091290504 180121755 /nfs/dbraw/zinc/12/17/55/180121755.db2.gz UZJSHLVYMHWQEM-QWRGUYRKSA-N 0 3 284.450 2.411 10 0 CEAEHN Cc1ccccc1N(C)C(=O)C[C@@H]1CSCCN1 ZINC000091290793 180122358 /nfs/dbraw/zinc/12/23/58/180122358.db2.gz OMLATVAGNQRNKP-GFCCVEGCSA-N 0 3 264.394 2.053 10 0 CEAEHN FC(F)(F)Cn1c(C[C@H]2CNCCO2)nc2ccccc21 ZINC000091293364 180124234 /nfs/dbraw/zinc/12/42/34/180124234.db2.gz VUQPRLJHDIHTQV-JTQLQIEISA-N 0 3 299.296 2.130 10 0 CEAEHN CNCc1cncc(Oc2ccc(C)cc2OC)n1 ZINC000091434026 180154198 /nfs/dbraw/zinc/15/41/98/180154198.db2.gz COLHIWJEEALWBT-UHFFFAOYSA-N 0 3 259.309 2.305 10 0 CEAEHN CNCc1cncc(Oc2cc(OC)cc(OC)c2)n1 ZINC000091434002 180154710 /nfs/dbraw/zinc/15/47/10/180154710.db2.gz NTFYSOVBAJXPQI-UHFFFAOYSA-N 0 3 275.308 2.006 10 0 CEAEHN CN(CC1CC(O)C1)[C@H](CN)c1ccccc1Cl ZINC000091460402 180161386 /nfs/dbraw/zinc/16/13/86/180161386.db2.gz ASFQQBVZTOQDFB-QIMFLAQGSA-N 0 3 268.788 2.043 10 0 CEAEHN CN(CC1CC(O)C1)c1cc(Br)ccc1CN ZINC000091461419 180161524 /nfs/dbraw/zinc/16/15/24/180161524.db2.gz HBXYWIQLWFSFGI-UHFFFAOYSA-N 0 3 299.212 2.115 10 0 CEAEHN CSC1(C(N)=S)CCN(CCc2ccncc2)CC1 ZINC000091478090 180166277 /nfs/dbraw/zinc/16/62/77/180166277.db2.gz UIWDQWSKNZLSHJ-UHFFFAOYSA-N 0 3 295.477 2.108 10 0 CEAEHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(N)c(Cl)c2)C1 ZINC000091392637 180144855 /nfs/dbraw/zinc/14/48/55/180144855.db2.gz INRZMYZYDDQPHK-LLVKDONJSA-N 0 3 281.787 2.088 10 0 CEAEHN CC(C)([C@@H](N)c1cccc(Cl)c1)N1CCOCC1 ZINC000091566240 180193964 /nfs/dbraw/zinc/19/39/64/180193964.db2.gz LQZHUGJSOPTLDB-ZDUSSCGKSA-N 0 3 268.788 2.451 10 0 CEAEHN Cc1cc([C@@H](N)C(C)(C)N2CCOCC2)ccc1F ZINC000091566097 180194187 /nfs/dbraw/zinc/19/41/87/180194187.db2.gz QHFXUZNKAADMDH-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN CCN[C@@H](c1nccn1CC)[C@@](C)(CC)N(C)C ZINC000091571475 180196527 /nfs/dbraw/zinc/19/65/27/180196527.db2.gz LOPGYFKQMSQKKV-GXTWGEPZSA-N 0 3 252.406 2.284 10 0 CEAEHN CCCc1nn(C)c(NCCN2CCC(C)CC2)c1N ZINC000091579079 180198391 /nfs/dbraw/zinc/19/83/91/180198391.db2.gz RDPSRNFLAACBLH-UHFFFAOYSA-N 0 3 279.432 2.099 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccc(OC)cc1)N1CCOCC1 ZINC000091611569 180206622 /nfs/dbraw/zinc/20/66/22/180206622.db2.gz ONNJOPJSLNTXJC-CVEARBPZSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCn1nccc1[C@@H](NC)C(C)(C)N1CCCC1 ZINC000091534520 180181495 /nfs/dbraw/zinc/18/14/95/180181495.db2.gz SUFZJQZUDDBKFZ-CQSZACIVSA-N 0 3 264.417 2.428 10 0 CEAEHN CCn1ccnc1[C@@H](NC)C1(N(C)C)CCCC1 ZINC000091637784 180212705 /nfs/dbraw/zinc/21/27/05/180212705.db2.gz RSTDZMSJICDFGB-GFCCVEGCSA-N 0 3 250.390 2.038 10 0 CEAEHN CN[C@H](c1cnccn1)C1(N(C)C)CCC(C)CC1 ZINC000091649087 180216322 /nfs/dbraw/zinc/21/63/22/180216322.db2.gz AKAZUWIJKOTUAF-HNFVBEJKSA-N 0 3 262.401 2.248 10 0 CEAEHN Cc1cnc(Cl)nc1N[C@H](C)CN1CCCC1 ZINC000091658460 180218938 /nfs/dbraw/zinc/21/89/38/180218938.db2.gz VITSEQDLIQKIDJ-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN CN[C@H](C)c1sc([C@@H]2CN3CCC[C@@H]3CO2)nc1C ZINC000091722414 180239749 /nfs/dbraw/zinc/23/97/49/180239749.db2.gz ZVPPVAMOIFYNMU-JLLWLGSASA-N 0 3 281.425 2.268 10 0 CEAEHN CN1CCO[C@H]([C@@H](N)c2ccc(C(C)(C)C)cc2)C1 ZINC000091717068 180232181 /nfs/dbraw/zinc/23/21/81/180232181.db2.gz SPSDJVYGSVJFIM-GJZGRUSLSA-N 0 3 262.397 2.315 10 0 CEAEHN O[C@H](Cc1ccc(F)cc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091715551 180232301 /nfs/dbraw/zinc/23/23/01/180232301.db2.gz POXQJASXHASHEJ-YUELXQCFSA-N 0 3 299.773 2.246 10 0 CEAEHN CCCN[C@H](c1ccc(OCC)cc1)[C@@H]1CN(C)CCO1 ZINC000091719087 180234482 /nfs/dbraw/zinc/23/44/82/180234482.db2.gz LXOPXURFXIYDOU-DLBZAZTESA-N 0 3 292.423 2.457 10 0 CEAEHN CCCOc1ccc([C@H](C)N[C@H]2CCOC[C@H]2O)cc1 ZINC000624236155 350239189 /nfs/dbraw/zinc/23/91/89/350239189.db2.gz XGXFRVPLUDJBEU-VBNZEHGJSA-N 0 3 279.380 2.276 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1csc(Cl)c1 ZINC000624238220 350241148 /nfs/dbraw/zinc/24/11/48/350241148.db2.gz MNDZCLGACUIIGS-UJNFCWOMSA-N 0 3 261.774 2.202 10 0 CEAEHN Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)sc1[C@@H](C)N ZINC000091722412 180240453 /nfs/dbraw/zinc/24/04/53/180240453.db2.gz GDHXVSVPSGASKM-IEBDPFPHSA-N 0 3 267.398 2.007 10 0 CEAEHN CCc1oc2ccccc2c1CNC[C@@H]1CN(C)CCO1 ZINC000105471611 186059290 /nfs/dbraw/zinc/05/92/90/186059290.db2.gz JDIDDXPPTHKCBQ-CYBMUJFWSA-N 0 3 288.391 2.415 10 0 CEAEHN CCN(C(=O)c1ccc(OC)cc1[O-])C1CCC([NH3+])CC1 ZINC000091850107 180271824 /nfs/dbraw/zinc/27/18/24/180271824.db2.gz KQHIXBORIBYJSO-UHFFFAOYSA-N 0 3 292.379 2.133 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)N1CCCCC1 ZINC000091969518 180294551 /nfs/dbraw/zinc/29/45/51/180294551.db2.gz RRMVCLIEPMBQMF-QWHCGFSZSA-N 0 3 253.390 2.055 10 0 CEAEHN NCc1c(F)cccc1NC(=O)N1CCCCC1 ZINC000091969081 180294575 /nfs/dbraw/zinc/29/45/75/180294575.db2.gz WLTPQDPXOAAVMK-UHFFFAOYSA-N 0 3 251.305 2.302 10 0 CEAEHN CC[NH2+]C1CCC(N(C)C(=O)c2ccc([O-])cc2)CC1 ZINC000091869633 180276573 /nfs/dbraw/zinc/27/65/73/180276573.db2.gz BSCXLXFSCXZEBL-UHFFFAOYSA-N 0 3 276.380 2.385 10 0 CEAEHN CC1CCN(C(=O)Nc2cccc(F)c2C(=N)N)CC1 ZINC000091993312 180300601 /nfs/dbraw/zinc/30/06/01/180300601.db2.gz SENYYYYUABCQEY-UHFFFAOYSA-N 0 3 278.331 2.374 10 0 CEAEHN CCNCc1nc(C)ccc1OCCOC(F)(F)F ZINC000091994761 180301576 /nfs/dbraw/zinc/30/15/76/180301576.db2.gz PZRQZTUFMZOQJX-UHFFFAOYSA-N 0 3 278.274 2.415 10 0 CEAEHN CCCNC(=O)[C@@H](C)Oc1ccc(C)nc1CNC(C)C ZINC000091995373 180302221 /nfs/dbraw/zinc/30/22/21/180302221.db2.gz VEIIGYULXCGCAF-CYBMUJFWSA-N 0 3 293.411 2.182 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1ccc(C)nc1CNC(C)C ZINC000091995374 180302223 /nfs/dbraw/zinc/30/22/23/180302223.db2.gz VEIIGYULXCGCAF-ZDUSSCGKSA-N 0 3 293.411 2.182 10 0 CEAEHN CCNCc1nc(CN2C[C@H](C)[C@H](C)C2)cs1 ZINC000092089349 180321780 /nfs/dbraw/zinc/32/17/80/180321780.db2.gz HDBLOJAYNZVBPM-PHIMTYICSA-N 0 3 253.415 2.340 10 0 CEAEHN CNCc1ccnn1C[C@H]1Cc2ccccc2S1 ZINC000092271915 180356512 /nfs/dbraw/zinc/35/65/12/180356512.db2.gz QBCJTJITSXYQPZ-CYBMUJFWSA-N 0 3 259.378 2.320 10 0 CEAEHN CCN[C@@H](CN1C(=O)C[C@H](C)C1=O)c1cc(C)ccc1C ZINC000105832582 186075484 /nfs/dbraw/zinc/07/54/84/186075484.db2.gz OTPCCRUHTJXXOV-ZFWWWQNUSA-N 0 3 288.391 2.349 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(CCOC(C)C)C2)c1 ZINC000105900578 186087910 /nfs/dbraw/zinc/08/79/10/186087910.db2.gz AQPMUVBAIUCRPD-CQSZACIVSA-N 0 3 251.374 2.253 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2csc(C(C)(C)C)n2)CCO1 ZINC000105925701 186090416 /nfs/dbraw/zinc/09/04/16/186090416.db2.gz IYAOFSUTZMHUKZ-ZDUSSCGKSA-N 0 3 297.468 2.203 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 ZINC000105925404 186091197 /nfs/dbraw/zinc/09/11/97/186091197.db2.gz VZCKEIGRNYIPFX-AWEZNQCLSA-N 0 3 268.788 2.102 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(C[C@H](O)COC(C)(C)C)C2)c1 ZINC000105923513 186091533 /nfs/dbraw/zinc/09/15/33/186091533.db2.gz MZSLGBDUESFBRE-CABCVRRESA-N 0 3 295.427 2.004 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2ccccc2Cl)C[C@@H]1C ZINC000106101176 186101405 /nfs/dbraw/zinc/10/14/05/186101405.db2.gz MXPOFHOIRXIEET-QWHCGFSZSA-N 0 3 282.815 2.227 10 0 CEAEHN CCOC(=O)N[C@@H](CN)c1cc(C)nc2ccccc21 ZINC000092344469 180366155 /nfs/dbraw/zinc/36/61/55/180366155.db2.gz VPDNMENVVRXSLQ-AWEZNQCLSA-N 0 3 273.336 2.289 10 0 CEAEHN CC[C@@H](O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000106384897 186111500 /nfs/dbraw/zinc/11/15/00/186111500.db2.gz HTPBKYGAEGXJAG-NWDGAFQWSA-N 0 3 254.399 2.402 10 0 CEAEHN COCCCO[C@@H]1CCc2ccc(OC)cc2[C@H]1N ZINC000092386734 180373639 /nfs/dbraw/zinc/37/36/39/180373639.db2.gz PEUYKWHWYZHIQX-HUUCEWRRSA-N 0 3 265.353 2.063 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](OCC1CCOCC1)CC2 ZINC000092386809 180373688 /nfs/dbraw/zinc/37/36/88/180373688.db2.gz LZSMHCQMHSBJFW-IRXDYDNUSA-N 0 3 291.391 2.453 10 0 CEAEHN COc1ccc2c(c1)[C@](NC1CCCC1)(C(N)=O)CCC2 ZINC000092384954 180373769 /nfs/dbraw/zinc/37/37/69/180373769.db2.gz JCDCLRXNHHVHGZ-KRWDZBQOSA-N 0 3 288.391 2.244 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@H]1n1cccn1 ZINC000092385994 180373972 /nfs/dbraw/zinc/37/39/72/180373972.db2.gz XXEVSHXXNIAPOC-CABCVRRESA-N 0 3 257.337 2.340 10 0 CEAEHN Cc1cccc(Cn2c3ccccc3cc(CN)c2=O)n1 ZINC000092432520 180384461 /nfs/dbraw/zinc/38/44/61/180384461.db2.gz BPIFPHMZUALBAE-UHFFFAOYSA-N 0 3 279.343 2.212 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000109124080 186243838 /nfs/dbraw/zinc/24/38/38/186243838.db2.gz CYEMSWYASTYWFO-UPJWGTAASA-N 0 3 294.345 2.231 10 0 CEAEHN CCN[C@@H](COC)Cc1nc(Cc2ccc(C)cc2)no1 ZINC000109507903 186258258 /nfs/dbraw/zinc/25/82/58/186258258.db2.gz QVUFOHOMIBBXTP-CQSZACIVSA-N 0 3 289.379 2.136 10 0 CEAEHN Cc1nc(N2CC[C@H](N3CCCC3)C2)sc1[C@@H](C)O ZINC000110271607 186289219 /nfs/dbraw/zinc/28/92/19/186289219.db2.gz UOBFRFRSRPYXLK-NEPJUHHUSA-N 0 3 281.425 2.179 10 0 CEAEHN NC(=S)c1ccc(N2CC[C@H](N3CCCC3)C2)c(F)c1 ZINC000110278485 186289625 /nfs/dbraw/zinc/28/96/25/186289625.db2.gz VYCISQABMQLJGH-LBPRGKRZSA-N 0 3 293.411 2.134 10 0 CEAEHN CCC(=O)[C@H](C)c1nc(CCN(CC)CC)no1 ZINC000110468697 186298156 /nfs/dbraw/zinc/29/81/56/186298156.db2.gz JHBVTMXYPBNCDV-JTQLQIEISA-N 0 3 253.346 2.037 10 0 CEAEHN O=C(CNC1CCCC1)Nc1nc2ccccc2[nH]1 ZINC000110538187 186302151 /nfs/dbraw/zinc/30/21/51/186302151.db2.gz MYHFMOOFWSTTPP-UHFFFAOYSA-N 0 3 258.325 2.034 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@H](C)Cn1cccn1 ZINC000110629718 186307236 /nfs/dbraw/zinc/30/72/36/186307236.db2.gz VSAJATGIEXAFFF-SECBINFHSA-N 0 3 289.314 2.224 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2C[C@H]1CCCOC1 ZINC000110629985 186307925 /nfs/dbraw/zinc/30/79/25/186307925.db2.gz GNLPSFJXDQFORL-SECBINFHSA-N 0 3 279.315 2.193 10 0 CEAEHN CCNCc1cc(CN2CCC[C@@H](C)CC2)on1 ZINC000110812641 186326377 /nfs/dbraw/zinc/32/63/77/186326377.db2.gz CCUQSCAFUXKSCM-GFCCVEGCSA-N 0 3 251.374 2.406 10 0 CEAEHN CN(CC(=O)Nc1ccc(F)cc1N)CC1CCCC1 ZINC000110832629 186328128 /nfs/dbraw/zinc/32/81/28/186328128.db2.gz CDCAKWLQLQZEFL-UHFFFAOYSA-N 0 3 279.359 2.468 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OC[C@@H](C)C(N)=O ZINC000110960657 186336541 /nfs/dbraw/zinc/33/65/41/186336541.db2.gz YBPAEEKEGJCQGM-NEPJUHHUSA-N 0 3 264.369 2.166 10 0 CEAEHN CCNc1ccc(CN2CCN(C)C(C)(C)C2)cn1 ZINC000110743184 186319005 /nfs/dbraw/zinc/31/90/05/186319005.db2.gz PCVVANHWWAIULO-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN CCOC(CCN1CCN(C2CCCC2)CC1)OCC ZINC000110785912 186324033 /nfs/dbraw/zinc/32/40/33/186324033.db2.gz LAOLDCNCKNRMBM-UHFFFAOYSA-N 0 3 284.444 2.336 10 0 CEAEHN CCOC(CN(CCOC)[C@H](C)C1CC1)OCC ZINC000110783524 186324291 /nfs/dbraw/zinc/32/42/91/186324291.db2.gz KMALFYORZUEDLQ-GFCCVEGCSA-N 0 3 259.390 2.132 10 0 CEAEHN CCOC(CCN1CCN(CC(C)C)CC1)OCC ZINC000110785935 186324517 /nfs/dbraw/zinc/32/45/17/186324517.db2.gz XRLZLGOXHZDYBM-UHFFFAOYSA-N 0 3 272.433 2.049 10 0 CEAEHN NC(=S)c1cc(F)ccc1NCCN1CCCCC1 ZINC000111031536 186347166 /nfs/dbraw/zinc/34/71/66/186347166.db2.gz KPDLIKIQCDPYIJ-UHFFFAOYSA-N 0 3 281.400 2.358 10 0 CEAEHN NC(=O)c1ccc(F)c(CNC[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111086813 186351407 /nfs/dbraw/zinc/35/14/07/186351407.db2.gz BNFCFLVTSUHMEY-LOWVWBTDSA-N 0 3 276.355 2.450 10 0 CEAEHN CCCOCCO[C@H]1COc2ccccc2[C@@H]1NC ZINC000111108050 186353331 /nfs/dbraw/zinc/35/33/31/186353331.db2.gz IXXHZKYPYHSUHW-GJZGRUSLSA-N 0 3 265.353 2.151 10 0 CEAEHN COC(CN[C@@H](C)Cc1c(F)cccc1F)OC ZINC000111112828 186353410 /nfs/dbraw/zinc/35/34/10/186353410.db2.gz JMOWRBCLYPBKQP-VIFPVBQESA-N 0 3 259.296 2.104 10 0 CEAEHN CCOCCN(CC)c1ncc([C@H](C)NC)s1 ZINC000111124543 186355186 /nfs/dbraw/zinc/35/51/86/186355186.db2.gz NFCHGQHXAZCWRV-JTQLQIEISA-N 0 3 257.403 2.286 10 0 CEAEHN COCCNCc1c(Cl)cccc1N(C)CCN(C)C ZINC000111140333 186357604 /nfs/dbraw/zinc/35/76/04/186357604.db2.gz CIHSUJXTUWGQGR-UHFFFAOYSA-N 0 3 299.846 2.074 10 0 CEAEHN Cc1cc2ncc(CN[C@H](CC(C)C)CN(C)C)cn2n1 ZINC000111235312 186373123 /nfs/dbraw/zinc/37/31/23/186373123.db2.gz GFNIBBQKMMIOCX-OAHLLOKOSA-N 0 3 289.427 2.104 10 0 CEAEHN CC(C)(C(N)=S)N1CCN(Cc2cccc(F)c2)CC1 ZINC000111234806 186373579 /nfs/dbraw/zinc/37/35/79/186373579.db2.gz RRYUUXGDMMLRKS-UHFFFAOYSA-N 0 3 295.427 2.008 10 0 CEAEHN CCN1CCC[C@H]1CNc1ncnc(Cl)c1C ZINC000111295943 186392127 /nfs/dbraw/zinc/39/21/27/186392127.db2.gz NZWRVXONNINSQD-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN Cc1c(Cl)ncnc1N[C@H](C)CN1CCCC1 ZINC000111297504 186392335 /nfs/dbraw/zinc/39/23/35/186392335.db2.gz LNTSWDDZIFOYNH-SECBINFHSA-N 0 3 254.765 2.335 10 0 CEAEHN N[C@H]1Cc2ccccc2[C@H]1NC(=O)c1c(F)cccc1F ZINC000111367110 186406740 /nfs/dbraw/zinc/40/67/40/186406740.db2.gz LKZDFVIOPAGDHY-DZGCQCFKSA-N 0 3 288.297 2.319 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)CC(C)(C)OC)N(C)C ZINC000120286410 186889833 /nfs/dbraw/zinc/88/98/33/186889833.db2.gz LTFFDFSAENWEHM-VXGBXAGGSA-N 0 3 258.406 2.037 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)C1CCOCC1 ZINC000123072223 187069613 /nfs/dbraw/zinc/06/96/13/187069613.db2.gz DGBDHYHDQBSONU-HIFRSBDPSA-N 0 3 284.444 2.142 10 0 CEAEHN CC[C@](C)(O)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000123436346 187091877 /nfs/dbraw/zinc/09/18/77/187091877.db2.gz VDADEQOUNFTATP-HNNXBMFYSA-N 0 3 296.436 2.057 10 0 CEAEHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1ccc(F)cn1 ZINC000271608871 191239059 /nfs/dbraw/zinc/23/90/59/191239059.db2.gz VLWPTGQMPXMCEE-MJVIPROJSA-N 0 3 252.333 2.422 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1ccc(Cl)nc1)N(C)C ZINC000154836357 188164901 /nfs/dbraw/zinc/16/49/01/188164901.db2.gz ATOFSJMVAVPZLG-LBPRGKRZSA-N 0 3 283.803 2.124 10 0 CEAEHN CCc1nc(CC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cs1 ZINC000155719144 188223132 /nfs/dbraw/zinc/22/31/32/188223132.db2.gz HPAXGHAMFKIUQV-WCQYABFASA-N 0 3 295.452 2.093 10 0 CEAEHN C[C@H](N)C(=O)NCCc1cccc(OCc2ccccc2)c1 ZINC000158132779 188359509 /nfs/dbraw/zinc/35/95/09/188359509.db2.gz KRFISTOZNRYVNK-AWEZNQCLSA-N 0 3 298.386 2.272 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000158684534 188389361 /nfs/dbraw/zinc/38/93/61/188389361.db2.gz FKICXNHAJRSQQV-CYBMUJFWSA-N 0 3 285.347 2.118 10 0 CEAEHN O=C1NCCCC[C@@H]1N[C@@H]1COc2ccccc2C1 ZINC000328667276 202001280 /nfs/dbraw/zinc/00/12/80/202001280.db2.gz KRBAPEVSDZLSSV-STQMWFEESA-N 0 3 260.337 2.089 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)N(C)C ZINC000133161831 366201143 /nfs/dbraw/zinc/20/11/43/366201143.db2.gz YHUCVNPPUGZLIS-SMDDNHRTSA-N 0 3 288.395 2.470 10 0 CEAEHN Cc1ncc(C2=C[C@H](N)CN(C(=O)OC(C)(C)C)C2)s1 ZINC000675077649 540118376 /nfs/dbraw/zinc/11/83/76/540118376.db2.gz GVIREBKCPQNDIB-NSHDSACASA-N 0 3 295.408 2.413 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cscn2)=C[C@H](N)C1 ZINC000675077969 540119049 /nfs/dbraw/zinc/11/90/49/540119049.db2.gz LHJDYGYCBUTEEW-JTQLQIEISA-N 0 3 281.381 2.105 10 0 CEAEHN Cc1ncsc1C1=C[C@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675079102 540119591 /nfs/dbraw/zinc/11/95/91/540119591.db2.gz WHQDSLDXCDJZDM-NSHDSACASA-N 0 3 295.408 2.413 10 0 CEAEHN CCCCOC[C@@H](O)CN[C@@H](C)c1c(C)noc1C ZINC000227894181 538769364 /nfs/dbraw/zinc/76/93/64/538769364.db2.gz PVGCPGWXNJPHEH-GWCFXTLKSA-N 0 3 270.373 2.120 10 0 CEAEHN COc1ccc(OC)c(CN[C@@H]2CCCCC[C@H]2O)c1 ZINC000135658555 366464981 /nfs/dbraw/zinc/46/49/81/366464981.db2.gz AQQCCMCTTGJTDP-HUUCEWRRSA-N 0 3 279.380 2.487 10 0 CEAEHN CC[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1ccsc1 ZINC000296539431 199925739 /nfs/dbraw/zinc/92/57/39/199925739.db2.gz SECLMSPSQSOBKO-USWWRNFRSA-N 0 3 252.383 2.456 10 0 CEAEHN Cc1ccccc1OCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000077730130 540554292 /nfs/dbraw/zinc/55/42/92/540554292.db2.gz XKURZOYMAWRAPS-OAHLLOKOSA-N 0 3 292.423 2.466 10 0 CEAEHN CCNCc1cnc(C(Cl)(Cl)Cl)nc1 ZINC000685956200 540651328 /nfs/dbraw/zinc/65/13/28/540651328.db2.gz NSXMPRIVPYJNFO-UHFFFAOYSA-N 0 3 254.548 2.413 10 0 CEAEHN CN1CCN([C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000685961516 540662748 /nfs/dbraw/zinc/66/27/48/540662748.db2.gz SIPIXKVIJVFEBX-INIZCTEOSA-N 0 3 297.443 2.023 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H](N)c1cccc(F)c1 ZINC000146763283 366574237 /nfs/dbraw/zinc/57/42/37/366574237.db2.gz QFUQQBUPPLTVQF-LLVKDONJSA-N 0 3 254.305 2.350 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccc(O)cc1 ZINC000150756725 366595412 /nfs/dbraw/zinc/59/54/12/366595412.db2.gz GWRPTKGNUUIZNY-CQSZACIVSA-N 0 3 278.396 2.027 10 0 CEAEHN Cc1cncc(/C=C/C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000151262285 366635461 /nfs/dbraw/zinc/63/54/61/366635461.db2.gz WBDSHMLNYFTBAC-FYCOFBDGSA-N 0 3 289.423 2.496 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000151648934 366657674 /nfs/dbraw/zinc/65/76/74/366657674.db2.gz ICXGHVAXVAUYCD-CQSZACIVSA-N 0 3 299.378 2.245 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC000176997106 189020017 /nfs/dbraw/zinc/02/00/17/189020017.db2.gz COTKVFNXBUZKSK-JTQLQIEISA-N 0 3 270.760 2.489 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1ccccc1OC)N(C)C ZINC000179105233 189170063 /nfs/dbraw/zinc/17/00/63/189170063.db2.gz IFSMDDGDBAKNPH-AWEZNQCLSA-N 0 3 278.396 2.384 10 0 CEAEHN CC(C)n1cc(CN2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000179808080 189221252 /nfs/dbraw/zinc/22/12/52/189221252.db2.gz MRPCSWUOQYYHKP-AWEZNQCLSA-N 0 3 273.384 2.187 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@H]2CCc3ncnn3C2)s1 ZINC000180596091 189263872 /nfs/dbraw/zinc/26/38/72/189263872.db2.gz FVOXRPUUHKFCMC-MNOVXSKESA-N 0 3 262.382 2.314 10 0 CEAEHN CCC[C@@H]1CN(C(=O)N[C@H](CC(C)C)CN(C)C)CCO1 ZINC000120590933 283632866 /nfs/dbraw/zinc/63/28/66/283632866.db2.gz JVBKQVJGHDZWOG-HUUCEWRRSA-N 0 3 299.459 2.173 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1nc2ccccc2n1CC ZINC000236996885 370673703 /nfs/dbraw/zinc/67/37/03/370673703.db2.gz ZQUBFOGVUJFVGQ-VXGBXAGGSA-N 0 3 288.395 2.361 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCc1ccncc1 ZINC000083704520 363785039 /nfs/dbraw/zinc/78/50/39/363785039.db2.gz PLDZFUSPCMKLGZ-GOEBONIOSA-N 0 3 259.397 2.183 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1ccccc1)[C@H]1CCCO1 ZINC000183104642 189346720 /nfs/dbraw/zinc/34/67/20/189346720.db2.gz YRUSQSJLNKSCBK-IJEWVQPXSA-N 0 3 290.407 2.191 10 0 CEAEHN CCOc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000183173265 189348820 /nfs/dbraw/zinc/34/88/20/189348820.db2.gz XOZKSYRFNABJGJ-TZMCWYRMSA-N 0 3 292.379 2.181 10 0 CEAEHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc(=O)[nH]1 ZINC000183499433 189360295 /nfs/dbraw/zinc/36/02/95/189360295.db2.gz HUOSYKDZOUHWGK-HNNXBMFYSA-N 0 3 299.374 2.128 10 0 CEAEHN CCCNC(=O)CNc1ccnc2c(C)cccc12 ZINC000301739826 201169699 /nfs/dbraw/zinc/16/96/99/201169699.db2.gz TXMVRUWTTWAKTR-UHFFFAOYSA-N 0 3 257.337 2.481 10 0 CEAEHN C[C@H](NCCN1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000020078474 361577786 /nfs/dbraw/zinc/57/77/86/361577786.db2.gz FGWWSQHPMCBTNQ-NSHDSACASA-N 0 3 286.778 2.462 10 0 CEAEHN CC[C@H](NC[C@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000084222114 363803517 /nfs/dbraw/zinc/80/35/17/363803517.db2.gz XTRWKWNANKEGMI-GJZGRUSLSA-N 0 3 266.360 2.197 10 0 CEAEHN OC1CC(CNCc2ccc(Br)cc2F)C1 ZINC000084446986 363811017 /nfs/dbraw/zinc/81/10/17/363811017.db2.gz IGVYXKGDIFONIZ-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN CCc1nsc(NCCCNCc2cccnc2)n1 ZINC000087642620 363865641 /nfs/dbraw/zinc/86/56/41/363865641.db2.gz ABULMDNYNMCFCM-UHFFFAOYSA-N 0 3 277.397 2.087 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H](N)c1nccc2[nH]ccc21 ZINC000089220744 363949965 /nfs/dbraw/zinc/94/99/65/363949965.db2.gz CEIOTVMNWYBRIS-JTQLQIEISA-N 0 3 276.340 2.087 10 0 CEAEHN CCc1noc(C)c1NC(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000093093196 364141929 /nfs/dbraw/zinc/14/19/29/364141929.db2.gz BBMORERJNXJTAD-JQWIXIFHSA-N 0 3 292.383 2.246 10 0 CEAEHN O[C@H]1CC[C@H](NCc2cnc(Cl)nc2Cl)CC1 ZINC000100280015 364543679 /nfs/dbraw/zinc/54/36/79/364543679.db2.gz PHSQHOLQIPUAAZ-DTORHVGOSA-N 0 3 276.167 2.177 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1nn(C)cc1Cl ZINC000335445619 364745116 /nfs/dbraw/zinc/74/51/16/364745116.db2.gz TUSXYCIGYYMNPR-NWDGAFQWSA-N 0 3 282.819 2.132 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)cc1F ZINC000335768414 364953925 /nfs/dbraw/zinc/95/39/25/364953925.db2.gz GKXFCISJWBAKTJ-QPUJVOFHSA-N 0 3 270.735 2.236 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1cccc(N(C)C)c1 ZINC000195195883 189673489 /nfs/dbraw/zinc/67/34/89/189673489.db2.gz MVLCOHFWTMVMHO-QGZVFWFLSA-N 0 3 294.439 2.362 10 0 CEAEHN CC[C@@H](CC1CCCC1)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000116788847 365068467 /nfs/dbraw/zinc/06/84/67/365068467.db2.gz GGNGKGGSTYCOKM-HOTGVXAUSA-N 0 3 296.455 2.382 10 0 CEAEHN CCSCCN1CCC(Nc2cccnn2)CC1 ZINC000119112777 365219337 /nfs/dbraw/zinc/21/93/37/365219337.db2.gz JMMLIDDYAJVPSW-UHFFFAOYSA-N 0 3 266.414 2.106 10 0 CEAEHN c1cnn(C[C@H]2CN(CCC3CCCC3)CCO2)c1 ZINC000119258419 365243929 /nfs/dbraw/zinc/24/39/29/365243929.db2.gz OTSMMADJTUIDMY-OAHLLOKOSA-N 0 3 263.385 2.164 10 0 CEAEHN Cc1cnn(CCCCCN2[C@H](C)COC[C@@H]2C)c1 ZINC000120954863 365502303 /nfs/dbraw/zinc/50/23/03/365502303.db2.gz QOUQVIHQPHSVMV-GASCZTMLSA-N 0 3 265.401 2.471 10 0 CEAEHN CO[C@@H](C)c1nc(CN2CCN3CCC[C@H]3C2)cs1 ZINC000245471078 370825121 /nfs/dbraw/zinc/82/51/21/370825121.db2.gz NPKFHWDZTMYHAF-AAEUAGOBSA-N 0 3 281.425 2.131 10 0 CEAEHN CC(C)(N)c1cn(Cc2cccc(F)c2Cl)nn1 ZINC000166708443 367327321 /nfs/dbraw/zinc/32/73/21/367327321.db2.gz RDUHYEGCALUWSK-UHFFFAOYSA-N 0 3 268.723 2.313 10 0 CEAEHN CC/C=C\CCN1CCN(CCOC)[C@@H](CC)C1 ZINC000342244311 367396681 /nfs/dbraw/zinc/39/66/81/367396681.db2.gz IOEVOKZQGFTGKO-XHPSBEMXSA-N 0 3 254.418 2.385 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCCc3occc32)C1 ZINC000170830514 367427533 /nfs/dbraw/zinc/42/75/33/367427533.db2.gz GELXDBKFDBJXQX-AAEUAGOBSA-N 0 3 277.368 2.003 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000171076831 367473749 /nfs/dbraw/zinc/47/37/49/367473749.db2.gz NNFAYZCNXSBPKE-LLVKDONJSA-N 0 3 299.321 2.456 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2cccc3cccnc32)C1 ZINC000170835079 367429528 /nfs/dbraw/zinc/42/95/28/367429528.db2.gz PXCAHDQQURSLAV-OAHLLOKOSA-N 0 3 298.390 2.080 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2cccc(Cl)c2)C1 ZINC000170861737 367434150 /nfs/dbraw/zinc/43/41/50/367434150.db2.gz ZFGZZOVWKQYOLJ-ZDUSSCGKSA-N 0 3 281.787 2.186 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc3cccnc32)C1 ZINC000170874735 367438612 /nfs/dbraw/zinc/43/86/12/367438612.db2.gz HUHDEQIYHZUHMH-CYBMUJFWSA-N 0 3 284.363 2.403 10 0 CEAEHN CC1CCC(CNC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000171904102 367635193 /nfs/dbraw/zinc/63/51/93/367635193.db2.gz WTXNEYFIZHKCFJ-NRXISQOPSA-N 0 3 279.428 2.302 10 0 CEAEHN C[C@@H](c1ccncc1)N(C)C[C@@H](O)COC(C)(C)C ZINC000245744756 370867670 /nfs/dbraw/zinc/86/76/70/370867670.db2.gz GNSRSKCKACCXKK-GXTWGEPZSA-N 0 3 266.385 2.250 10 0 CEAEHN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccs1 ZINC000172604067 367786492 /nfs/dbraw/zinc/78/64/92/367786492.db2.gz HUFJMKBWYQYBJL-VHSXEESVSA-N 0 3 283.397 2.021 10 0 CEAEHN CCc1ccccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000172633299 367790838 /nfs/dbraw/zinc/79/08/38/367790838.db2.gz KULWHOAKEREVSH-MRXNPFEDSA-N 0 3 287.407 2.239 10 0 CEAEHN Cc1cnn(C[C@H]2CN(C[C@@H]3CC=CCC3)CCO2)c1 ZINC000245812083 370875463 /nfs/dbraw/zinc/87/54/63/370875463.db2.gz ZORPBPIWIGLWOM-HZPDHXFCSA-N 0 3 275.396 2.249 10 0 CEAEHN Cc1ccc2cccc(C(=O)N3CCN4CCC[C@H]4C3)c2n1 ZINC000172843550 367827129 /nfs/dbraw/zinc/82/71/29/367827129.db2.gz CEGDUVYQZPFLCF-HNNXBMFYSA-N 0 3 295.386 2.463 10 0 CEAEHN C[C@H](CN1CCOCC1)N1CCC[C@H]1c1ccco1 ZINC000245945007 370892201 /nfs/dbraw/zinc/89/22/01/370892201.db2.gz BIDMRMBOAFWLQB-KGLIPLIRSA-N 0 3 264.369 2.137 10 0 CEAEHN CCc1cnc(NC(=O)N2CCN3CCC[C@H]3C2)s1 ZINC000173473724 367913655 /nfs/dbraw/zinc/91/36/55/367913655.db2.gz QEXYXCNQSJHVIB-JTQLQIEISA-N 0 3 280.397 2.017 10 0 CEAEHN Cc1ccc(NC(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000175833467 368181550 /nfs/dbraw/zinc/18/15/50/368181550.db2.gz ILAMSPVMFOPYTC-JTQLQIEISA-N 0 3 253.371 2.224 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cccnc1 ZINC000176307035 368221813 /nfs/dbraw/zinc/22/18/13/368221813.db2.gz XHDQREGIJYIPPN-ZDUSSCGKSA-N 0 3 262.357 2.030 10 0 CEAEHN COCCC[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000182274713 368545134 /nfs/dbraw/zinc/54/51/34/368545134.db2.gz YOZUBPIUXMRZDD-ZBFHGGJFSA-N 0 3 292.423 2.468 10 0 CEAEHN CCc1cnccc1C(=O)N(C)C[C@@H]1CCCN1CC ZINC000182561817 368567595 /nfs/dbraw/zinc/56/75/95/368567595.db2.gz UBPDKZXFYQPCPD-AWEZNQCLSA-N 0 3 275.396 2.200 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CN1CCO[C@H](CN(C)C)C1 ZINC000182933762 368599192 /nfs/dbraw/zinc/59/91/92/368599192.db2.gz IWPBASLFPOHIFD-RBSFLKMASA-N 0 3 254.418 2.075 10 0 CEAEHN COC(=O)c1oc(CN2CCN3CCCC[C@H]3C2)cc1C ZINC000246213652 370928636 /nfs/dbraw/zinc/92/86/36/370928636.db2.gz PKQKXIHTRHBBMB-ZDUSSCGKSA-N 0 3 292.379 2.045 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@@H](CN(C)C)C2)o1 ZINC000246233123 370931531 /nfs/dbraw/zinc/93/15/31/370931531.db2.gz RTUWROCHDWCYCG-SNPRPXQTSA-N 0 3 278.396 2.165 10 0 CEAEHN CCC[C@H](N[C@@H]1CN(C(C)C)C[C@H]1C)C(=O)OCC ZINC000246230263 370931813 /nfs/dbraw/zinc/93/18/13/370931813.db2.gz MLVGEXWOZRTNAV-HZSPNIEDSA-N 0 3 270.417 2.037 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H](C)C2CCCC2)C1 ZINC000246294158 370942301 /nfs/dbraw/zinc/94/23/01/370942301.db2.gz DKSGKUZFHIURLZ-TZMCWYRMSA-N 0 3 267.417 2.349 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2cc(C)no2)C12CCOCC2 ZINC000186321385 368956066 /nfs/dbraw/zinc/95/60/66/368956066.db2.gz OMRXYIKJLJOJDZ-KBPBESRZSA-N 0 3 280.368 2.047 10 0 CEAEHN C[C@@H](O)CN1CCN(CCCCc2ccccc2)C[C@@H]1C ZINC000186969906 369078190 /nfs/dbraw/zinc/07/81/90/369078190.db2.gz PEVLNSMMVWNTDS-DLBZAZTESA-N 0 3 290.451 2.396 10 0 CEAEHN Cc1cc(CNC(=O)N2CC[C@@H](N(C)C)C2)ccc1Cl ZINC000187059632 369094628 /nfs/dbraw/zinc/09/46/28/369094628.db2.gz UZUAHFBLYUUCRX-CYBMUJFWSA-N 0 3 295.814 2.494 10 0 CEAEHN Cc1ccc(CN2CCN3CCCC[C@@H]3C2)c(C)n1 ZINC000187264275 369130621 /nfs/dbraw/zinc/13/06/21/369130621.db2.gz KOVFPKLVLTUDQI-MRXNPFEDSA-N 0 3 259.397 2.369 10 0 CEAEHN Cc1nccnc1[C@H](C)N[C@H](CC(C)C)CN(C)C ZINC000187953893 369260748 /nfs/dbraw/zinc/26/07/48/369260748.db2.gz YVEKQADSCVDZHA-UONOGXRCSA-N 0 3 264.417 2.412 10 0 CEAEHN OC[C@H]1CN(CCOCC2CC2)C[C@H]1c1ccsc1 ZINC000188058765 369287211 /nfs/dbraw/zinc/28/72/11/369287211.db2.gz PSBTTWVTWPJHOQ-CABCVRRESA-N 0 3 281.421 2.182 10 0 CEAEHN C[C@@H]1CC[C@H](CC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246447434 370962161 /nfs/dbraw/zinc/96/21/61/370962161.db2.gz FAXYIFKJDOJXJN-RDBSUJKOSA-N 0 3 250.386 2.119 10 0 CEAEHN C[C@H]1CN(Cc2ccccc2Cl)C[C@H]1N1CCOCC1 ZINC000246480384 370967374 /nfs/dbraw/zinc/96/73/74/370967374.db2.gz OQLWJOLALBLTJD-XJKSGUPXSA-N 0 3 294.826 2.493 10 0 CEAEHN CCc1nc(CN[C@H](C)c2cccc(-n3ccnc3)c2)n[nH]1 ZINC000189916114 369578960 /nfs/dbraw/zinc/57/89/60/369578960.db2.gz YBENLFFDSWTSHY-GFCCVEGCSA-N 0 3 296.378 2.404 10 0 CEAEHN Cn1ccc2cccc(NC(=O)N3CCN4CCC[C@@H]4C3)c21 ZINC000190051157 369592822 /nfs/dbraw/zinc/59/28/22/369592822.db2.gz ISMVRILUBZEXMD-CQSZACIVSA-N 0 3 298.390 2.490 10 0 CEAEHN C[C@H]1OCCC[C@@H]1C(=O)N(CCN(C)C)c1ccccc1 ZINC000190687909 369645492 /nfs/dbraw/zinc/64/54/92/369645492.db2.gz QUXIHNOGEYMKRE-ZBFHGGJFSA-N 0 3 290.407 2.396 10 0 CEAEHN CN(Cc1ccc2ccccc2n1)C1(CO)CCOCC1 ZINC000191039254 369670740 /nfs/dbraw/zinc/67/07/40/369670740.db2.gz LKLBJYDDAUPXSH-UHFFFAOYSA-N 0 3 286.375 2.208 10 0 CEAEHN c1nc2n(n1)CCC[C@H]2NCCCc1ccc2c(c1)CCO2 ZINC000191104922 369679080 /nfs/dbraw/zinc/67/90/80/369679080.db2.gz ZAYTWUGAZXAMLS-OAHLLOKOSA-N 0 3 298.390 2.270 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)CCc1ccc(F)cc1 ZINC000193374186 369934527 /nfs/dbraw/zinc/93/45/27/369934527.db2.gz LHCLKDAKUBGFDO-INIZCTEOSA-N 0 3 283.387 2.478 10 0 CEAEHN c1cnnc(NC2CCN(C[C@H]3CCC=CO3)CC2)c1 ZINC000193894012 369990624 /nfs/dbraw/zinc/99/06/24/369990624.db2.gz QCKPIFKPDZATBV-CQSZACIVSA-N 0 3 274.368 2.046 10 0 CEAEHN CCCN(CC(F)F)C(=O)N[C@H]1CCCN(CC)C1 ZINC000195014440 370095934 /nfs/dbraw/zinc/09/59/34/370095934.db2.gz AKYUPEBQTRCSJF-NSHDSACASA-N 0 3 277.359 2.157 10 0 CEAEHN CCN[C@@H](C)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000637904372 370159086 /nfs/dbraw/zinc/15/90/86/370159086.db2.gz VKSLCWVWSLRLPT-IDKOKCKLSA-N 0 3 266.307 2.222 10 0 CEAEHN c1cncc(O[C@@H]2CCN(C[C@H]3CCCCO3)C2)c1 ZINC000246812848 371015437 /nfs/dbraw/zinc/01/54/37/371015437.db2.gz RYAUICDFPRXAKJ-HUUCEWRRSA-N 0 3 262.353 2.104 10 0 CEAEHN Cc1cnn([C@H]2CCCN(C[C@H]3CCCCO3)C2)c1 ZINC000246999142 371043222 /nfs/dbraw/zinc/04/32/22/371043222.db2.gz BJZZGMDOJLFALQ-LSDHHAIUSA-N 0 3 263.385 2.398 10 0 CEAEHN c1cnn(CCCCCN2CCN3CCCC[C@H]3C2)c1 ZINC000248366951 371180541 /nfs/dbraw/zinc/18/05/41/371180541.db2.gz SSMFHYUKSVLUIH-INIZCTEOSA-N 0 3 276.428 2.224 10 0 CEAEHN C[C@H]1CCN(Cc2ccc3ccccc3n2)[C@H]1CO ZINC000248874881 371259476 /nfs/dbraw/zinc/25/94/76/371259476.db2.gz CGZJASHARVAFDT-LRDDRELGSA-N 0 3 256.349 2.438 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000248853534 371255605 /nfs/dbraw/zinc/25/56/05/371255605.db2.gz JWLMNVYZNXFRKH-SOUVJXGZSA-N 0 3 284.444 2.475 10 0 CEAEHN C[C@H](CNC(=O)[C@@H]1CCCO[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000249208046 371305264 /nfs/dbraw/zinc/30/52/64/371305264.db2.gz CDKCTLBICRISGE-KBUPBQIOSA-N 0 3 282.428 2.038 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC000249612428 371346980 /nfs/dbraw/zinc/34/69/80/371346980.db2.gz QGYHOAATXKTGAX-GJZGRUSLSA-N 0 3 290.407 2.363 10 0 CEAEHN Cc1cccnc1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000250982621 371395478 /nfs/dbraw/zinc/39/54/78/371395478.db2.gz IRVJNVCJQGFZFH-CABCVRRESA-N 0 3 259.397 2.449 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1cccc(N)c1 ZINC000251828410 371419303 /nfs/dbraw/zinc/41/93/03/371419303.db2.gz PIYFGHNOJZSHCS-CJNGLKHVSA-N 0 3 259.397 2.327 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CC[C@H]1CCCO1 ZINC000251928671 371424171 /nfs/dbraw/zinc/42/41/71/371424171.db2.gz YNVLBVIVLVBZAX-RBSFLKMASA-N 0 3 252.402 2.114 10 0 CEAEHN CC[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccncc1 ZINC000252465315 371440513 /nfs/dbraw/zinc/44/05/13/371440513.db2.gz PXNFDQYAYXJVKH-LSDHHAIUSA-N 0 3 288.395 2.022 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1[C@H]1CCCN1Cc1ccno1 ZINC000253086531 371493998 /nfs/dbraw/zinc/49/39/98/371493998.db2.gz BSAWUDZQWALPBT-MGPQQGTHSA-N 0 3 250.342 2.190 10 0 CEAEHN CCc1ccc([C@@H]2CNCCN2Cc2cnn(C)c2C)cc1 ZINC000261709317 371708907 /nfs/dbraw/zinc/70/89/07/371708907.db2.gz MJIFHLLGAFVHAN-SFHVURJKSA-N 0 3 298.434 2.437 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1nnc(C)s1 ZINC000362273626 372294062 /nfs/dbraw/zinc/29/40/62/372294062.db2.gz BPFXJHRTFGVCGN-CHWSQXEVSA-N 0 3 280.441 2.295 10 0 CEAEHN CC(C)n1ccnc1Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000641051850 372258613 /nfs/dbraw/zinc/25/86/13/372258613.db2.gz SJUBNUSMCCYHOB-ZDUSSCGKSA-N 0 3 276.388 2.150 10 0 CEAEHN CC(C)(O)CCN1CCC(c2nccs2)CC1 ZINC000365907587 372953073 /nfs/dbraw/zinc/95/30/73/372953073.db2.gz UPFHDWWETTUZEN-UHFFFAOYSA-N 0 3 254.399 2.484 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(Cl)cc2F)CCCN1 ZINC000643615607 373222401 /nfs/dbraw/zinc/22/24/01/373222401.db2.gz RGWVHMNEWHASKT-ZDUSSCGKSA-N 0 3 286.734 2.186 10 0 CEAEHN COC[C@]1(C(=O)Nc2cccc(C(F)F)c2)CCCN1 ZINC000643673287 373233226 /nfs/dbraw/zinc/23/32/26/373233226.db2.gz WOLIMZLBAVVHCC-AWEZNQCLSA-N 0 3 284.306 2.331 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1N[C@H]1CCCc2sccc21 ZINC000282320291 375456497 /nfs/dbraw/zinc/45/64/97/375456497.db2.gz NNYOPAPYJYCLNH-WCQGTBRESA-N 0 3 264.394 2.382 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(F)cc1Cl ZINC000282338699 375458960 /nfs/dbraw/zinc/45/89/60/375458960.db2.gz LZAJBTDGFOIDSF-UFBFGSQYSA-N 0 3 270.735 2.236 10 0 CEAEHN COc1ccc([C@H](C)N[C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282165744 375418568 /nfs/dbraw/zinc/41/85/68/375418568.db2.gz DQAPPLDLPJWWIA-MJVIPROJSA-N 0 3 262.353 2.013 10 0 CEAEHN CCOc1ccc([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282476850 375494678 /nfs/dbraw/zinc/49/46/78/375494678.db2.gz WQTSOSLSTWJBPA-ZOWXZIJZSA-N 0 3 276.380 2.403 10 0 CEAEHN C[C@H](CNCc1ccncc1)N(C)C(=O)OC(C)(C)C ZINC000282927402 375615031 /nfs/dbraw/zinc/61/50/31/375615031.db2.gz WHAGUNLNUYTUQW-GFCCVEGCSA-N 0 3 279.384 2.427 10 0 CEAEHN CCC[C@@](C)(N)C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000262720484 190061160 /nfs/dbraw/zinc/06/11/60/190061160.db2.gz ZHBVRVJKKLANAQ-MRXNPFEDSA-N 0 3 293.411 2.183 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262730760 190062065 /nfs/dbraw/zinc/06/20/65/190062065.db2.gz BLMYOIPEQFUHNC-SDADXPQNSA-N 0 3 272.392 2.307 10 0 CEAEHN NC1(C(=O)NC2CCC(C(F)(F)F)CC2)CCCC1 ZINC000037616710 295202254 /nfs/dbraw/zinc/20/22/54/295202254.db2.gz SRTHZJFSHQKBIP-UHFFFAOYSA-N 0 3 278.318 2.495 10 0 CEAEHN c1nc2n(n1)CCC[C@H]2N[C@H]1CCc2cccnc2CC1 ZINC000333729944 377839812 /nfs/dbraw/zinc/83/98/12/377839812.db2.gz KWIWQTFOXOGHPU-DZGCQCFKSA-N 0 3 283.379 2.045 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(C[C@@H]2CCC(C)(C)O2)C1 ZINC000186921287 183649398 /nfs/dbraw/zinc/64/93/98/183649398.db2.gz RZHDIFALQXFXMM-KGLIPLIRSA-N 0 3 282.428 2.325 10 0 CEAEHN c1cn(C[C@@H]2CCCN2Cc2cnc3ccccn23)cn1 ZINC000188409913 542321419 /nfs/dbraw/zinc/32/14/19/542321419.db2.gz MPGMKOOMGCZAPX-AWEZNQCLSA-N 0 3 281.363 2.195 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](Sc1cnccn1)C2 ZINC000092860769 184632738 /nfs/dbraw/zinc/63/27/38/184632738.db2.gz KTOMSSZQEBFINJ-OCCSQVGLSA-N 0 3 273.361 2.202 10 0 CEAEHN COC(=O)[C@H](C)[C@H](C)NCc1cccnc1OC(C)C ZINC000093027851 184643517 /nfs/dbraw/zinc/64/35/17/184643517.db2.gz PFENNSAHOKVZEG-NEPJUHHUSA-N 0 3 280.368 2.156 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCCC(C)(C)C2)C1 ZINC000112745410 285230063 /nfs/dbraw/zinc/23/00/63/285230063.db2.gz RXJVCJZAURZYCG-CYBMUJFWSA-N 0 3 267.417 2.302 10 0 CEAEHN COCC[C@H](C)n1c(N)nc2ccc(F)c(F)c21 ZINC000081718485 177844031 /nfs/dbraw/zinc/84/40/31/177844031.db2.gz IJOHALJPDDTWIH-ZETCQYMHSA-N 0 3 255.268 2.494 10 0 CEAEHN CCO[C@@H](C)[C@H](N)c1ccc2c(c1)OCCCO2 ZINC000080743132 177697338 /nfs/dbraw/zinc/69/73/38/177697338.db2.gz LAFHYSHILTXAPL-HZMBPMFUSA-N 0 3 251.326 2.273 10 0 CEAEHN CCCc1ccc(O[C@@H]2CC[C@@](NC)(C(N)=O)C2)cc1 ZINC000093847415 184731866 /nfs/dbraw/zinc/73/18/66/184731866.db2.gz OCYLUZHRKCARIP-ZBFHGGJFSA-N 0 3 276.380 2.014 10 0 CEAEHN CC(C)(C)NCc1ccc(O[C@@H]2CCC[C@@H]2O)cn1 ZINC000094211735 184763588 /nfs/dbraw/zinc/76/35/88/184763588.db2.gz ILPKXPXEGSKGKJ-UONOGXRCSA-N 0 3 264.369 2.262 10 0 CEAEHN CC[C@@](C)(N)C(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000094235173 184767710 /nfs/dbraw/zinc/76/77/10/184767710.db2.gz QODQJSBTESUNOA-CQSZACIVSA-N 0 3 250.342 2.206 10 0 CEAEHN CCn1c2ccccc2nc1C[C@H](N)c1ncc[nH]1 ZINC000094938063 184896862 /nfs/dbraw/zinc/89/68/62/184896862.db2.gz FCNAMADHUKYGQP-JTQLQIEISA-N 0 3 255.325 2.022 10 0 CEAEHN Nc1ccccc1N1CCN(CCC[C@@H]2CCCO2)CC1 ZINC000087263309 135049791 /nfs/dbraw/zinc/04/97/91/135049791.db2.gz JNWSPNHMFHPFCE-OAHLLOKOSA-N 0 3 289.423 2.350 10 0 CEAEHN Fc1ccc(N2C[C@H]3CC[C@@H](C2)O3)c(CNC2CC2)c1 ZINC000090906755 135066115 /nfs/dbraw/zinc/06/61/15/135066115.db2.gz YZQGPNSZMBHLOA-GASCZTMLSA-N 0 3 276.355 2.445 10 0 CEAEHN CN(C)[C@@H]1CCCN(c2ccc(F)cc2C=O)C1 ZINC000091392894 135068312 /nfs/dbraw/zinc/06/83/12/135068312.db2.gz GQTIFBICIAXTPR-CYBMUJFWSA-N 0 3 250.317 2.169 10 0 CEAEHN CNCc1cncc(N2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000091419587 135069363 /nfs/dbraw/zinc/06/93/63/135069363.db2.gz BWPYNQNZMGVURI-QWHCGFSZSA-N 0 3 260.385 2.213 10 0 CEAEHN COc1ccccc1N1CCN(CC(C)(C)[C@@H](C)O)CC1 ZINC000091405709 135069419 /nfs/dbraw/zinc/06/94/19/135069419.db2.gz VPULGYQOCQBGND-CQSZACIVSA-N 0 3 292.423 2.224 10 0 CEAEHN Cc1cc(F)cc(N2CCC[C@H](NC3CC3)C2=O)c1 ZINC000091527217 135071117 /nfs/dbraw/zinc/07/11/17/135071117.db2.gz DOVDBWGZSFPVQT-AWEZNQCLSA-N 0 3 262.328 2.382 10 0 CEAEHN N[C@@H]1Cc2ccccc2N(C(=O)N2CCCCCC2)C1 ZINC000091971672 135074428 /nfs/dbraw/zinc/07/44/28/135074428.db2.gz LBKKXDFBXIOGGD-CQSZACIVSA-N 0 3 273.380 2.372 10 0 CEAEHN C[C@H]1CCCN(C(=O)N2C[C@H](N)Cc3ccccc32)C1 ZINC000091991328 135074694 /nfs/dbraw/zinc/07/46/94/135074694.db2.gz UUGNNDDHXFARII-GXTWGEPZSA-N 0 3 273.380 2.228 10 0 CEAEHN COC(=O)C(C)(C)CN1CCN(c2ccccc2)CC1 ZINC000093718092 135082080 /nfs/dbraw/zinc/08/20/80/135082080.db2.gz HALGURGOQPOJHB-UHFFFAOYSA-N 0 3 276.380 2.008 10 0 CEAEHN c1cc(CNC2CC2)nc(N2CCN3CCCC[C@@H]3C2)c1 ZINC000094443216 135088990 /nfs/dbraw/zinc/08/89/90/135088990.db2.gz JMLRPPKIQAAGSQ-MRXNPFEDSA-N 0 3 286.423 2.008 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1cc(C)ccc1OC(F)F ZINC000236878378 394488774 /nfs/dbraw/zinc/48/87/74/394488774.db2.gz YHULZFXHTUSDJY-NSHDSACASA-N 0 3 286.322 2.340 10 0 CEAEHN COc1c(C)cnc(CN[C@H](C)[C@H]2CCCO2)c1C ZINC000035735738 394494585 /nfs/dbraw/zinc/49/45/85/394494585.db2.gz PFRALRBXFSZNRM-TZMCWYRMSA-N 0 3 264.369 2.364 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCc1cccc2c1OCO2 ZINC000037166629 394496135 /nfs/dbraw/zinc/49/61/35/394496135.db2.gz PKWLFUZLMWMAKF-CQSZACIVSA-N 0 3 278.396 2.481 10 0 CEAEHN COc1cccc(CNCC2CC(O)C2)c1OC(F)F ZINC000091415646 394657127 /nfs/dbraw/zinc/65/71/27/394657127.db2.gz JOIJDXFBTVDRIY-UHFFFAOYSA-N 0 3 287.306 2.157 10 0 CEAEHN Clc1ccc2c(c1)CC[C@H]2NCCn1cncn1 ZINC000268837782 394701325 /nfs/dbraw/zinc/70/13/25/394701325.db2.gz QAAUPRFJVJRNKZ-CYBMUJFWSA-N 0 3 262.744 2.209 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N(C)CCC2CC2)[C@@H](C)C1 ZINC000122432548 394814060 /nfs/dbraw/zinc/81/40/60/394814060.db2.gz UGZCBDBDCGBGNF-JSGCOSHPSA-N 0 3 267.417 2.157 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@@H](C)Cc2ccccc2)CC1 ZINC000132334939 394928523 /nfs/dbraw/zinc/92/85/23/394928523.db2.gz ALCPKIDVRGDKRR-WMZOPIPTSA-N 0 3 290.451 2.254 10 0 CEAEHN CC(C)OCCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152210471 394990690 /nfs/dbraw/zinc/99/06/90/394990690.db2.gz ZNEDPXDFZXJTFP-HNNXBMFYSA-N 0 3 264.369 2.350 10 0 CEAEHN CC[C@@H]1CN(CCN(C)Cc2ccc(F)cc2)CCO1 ZINC000158679118 395051108 /nfs/dbraw/zinc/05/11/08/395051108.db2.gz JNUUFEVIQFZTGS-MRXNPFEDSA-N 0 3 280.387 2.368 10 0 CEAEHN CC[C@H]1CN(CCN(C)Cc2ccc(F)cc2)CCO1 ZINC000158679262 395051734 /nfs/dbraw/zinc/05/17/34/395051734.db2.gz JNUUFEVIQFZTGS-INIZCTEOSA-N 0 3 280.387 2.368 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NC[C@H](O)C(F)(F)F ZINC000380974279 395170907 /nfs/dbraw/zinc/17/09/07/395170907.db2.gz GLZAMYZQHOXZLO-AAEUAGOBSA-N 0 3 290.329 2.020 10 0 CEAEHN CC(C)OCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000185268750 395278083 /nfs/dbraw/zinc/27/80/83/395278083.db2.gz NOOWWPZDRZIWPH-HNNXBMFYSA-N 0 3 293.411 2.014 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccns1 ZINC000404287913 395281217 /nfs/dbraw/zinc/28/12/17/395281217.db2.gz JANUJMYPZLVPDA-RYUDHWBXSA-N 0 3 251.399 2.202 10 0 CEAEHN CCC[C@H](C)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000187684591 395304480 /nfs/dbraw/zinc/30/44/80/395304480.db2.gz LSLYOMXDVQFECR-ZFWWWQNUSA-N 0 3 265.401 2.389 10 0 CEAEHN COc1ccc([C@H](C)NC[C@H](O)CSC)cc1OC ZINC000188219755 395312663 /nfs/dbraw/zinc/31/26/63/395312663.db2.gz AXGNLQOUYYOPPF-JQWIXIFHSA-N 0 3 285.409 2.078 10 0 CEAEHN CCOCCCNC(=O)[C@@H](C)N[C@H](C)c1cccs1 ZINC000192588094 395387582 /nfs/dbraw/zinc/38/75/82/395387582.db2.gz AMPQHLOZDJAMLU-VXGBXAGGSA-N 0 3 284.425 2.330 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000190972377 395345092 /nfs/dbraw/zinc/34/50/92/395345092.db2.gz RVNMIJULBXMGLJ-QLFBSQMISA-N 0 3 279.428 2.445 10 0 CEAEHN CC1(C)CN[C@H]1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000649317746 396119765 /nfs/dbraw/zinc/11/97/65/396119765.db2.gz PZOMSKFDZVQBJI-MNOVXSKESA-N 0 3 279.409 2.195 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@H](C)c1ccccc1Br ZINC000037014598 400114663 /nfs/dbraw/zinc/11/46/63/400114663.db2.gz XLFDAXHPKKRAHK-LDYMZIIASA-N 0 3 285.185 2.364 10 0 CEAEHN CC[C@@H]1CN(c2ccnc(Cl)c2)CCN1CCOC ZINC000125514489 400278917 /nfs/dbraw/zinc/27/89/17/400278917.db2.gz MDZQEUAXFPAOJB-GFCCVEGCSA-N 0 3 283.803 2.282 10 0 CEAEHN C[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)[C@@H]1CCCO1 ZINC000193124674 153227119 /nfs/dbraw/zinc/22/71/19/153227119.db2.gz HJHGZQJHCIBAKB-WWGRRREGSA-N 0 3 288.391 2.121 10 0 CEAEHN Cc1ccc(O[C@H](C)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195310653 153283174 /nfs/dbraw/zinc/28/31/74/153283174.db2.gz QFOSQABZDDDXLG-HUUCEWRRSA-N 0 3 288.391 2.069 10 0 CEAEHN C[C@@H](CC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000195309177 153283736 /nfs/dbraw/zinc/28/37/36/153283736.db2.gz DPFPWYSGAQTMLY-GOEBONIOSA-N 0 3 272.392 2.487 10 0 CEAEHN CCSc1cc(C(=O)N2CCN3CCC[C@H]3C2)ccn1 ZINC000195337131 153288251 /nfs/dbraw/zinc/28/82/51/153288251.db2.gz VNOGYHHWHFDVRI-ZDUSSCGKSA-N 0 3 291.420 2.114 10 0 CEAEHN C[C@@H](Cc1ccc(Cl)cc1)N[C@@H]1CCCNC1=O ZINC000223059661 153316287 /nfs/dbraw/zinc/31/62/87/153316287.db2.gz FNXWKDYPBRPUNL-GXFFZTMASA-N 0 3 266.772 2.139 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@H](C)c2nccn2C)C12CCOCC2 ZINC000248639554 286402565 /nfs/dbraw/zinc/40/25/65/286402565.db2.gz NAWOZIGOVGRRJE-HZSPNIEDSA-N 0 3 293.411 2.045 10 0 CEAEHN Cc1ccc2oc(-c3nc([C@@H]4CNCCN4C)no3)cc2c1 ZINC000263166159 154028894 /nfs/dbraw/zinc/02/88/94/154028894.db2.gz FFEISZDZEACCOG-LBPRGKRZSA-N 0 3 298.346 2.367 10 0 CEAEHN Cc1cccc([C@@H](C)c2nc([C@@H]3CNCCN3C)no2)c1 ZINC000263223653 154038474 /nfs/dbraw/zinc/03/84/74/154038474.db2.gz MKRWEMJEDGURKA-OCCSQVGLSA-N 0 3 286.379 2.106 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2cccc(F)c2Cl)n1 ZINC000263250139 154041217 /nfs/dbraw/zinc/04/12/17/154041217.db2.gz PTDSGLWNXJHENN-JTQLQIEISA-N 0 3 296.733 2.105 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2cc(F)cc(Cl)c2)n1 ZINC000263274230 154049700 /nfs/dbraw/zinc/04/97/00/154049700.db2.gz SPIOHLZUAUBLGV-NSHDSACASA-N 0 3 296.733 2.105 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000263524148 154117336 /nfs/dbraw/zinc/11/73/36/154117336.db2.gz SMPUFNBBDRXKHC-DNDYEEKYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@H]2CCC[C@@H](C)C2)C1 ZINC000263524148 154117344 /nfs/dbraw/zinc/11/73/44/154117344.db2.gz SMPUFNBBDRXKHC-DNDYEEKYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@H]2CCC[C@@H](C)C2)C1 ZINC000263524148 154117351 /nfs/dbraw/zinc/11/73/51/154117351.db2.gz SMPUFNBBDRXKHC-DNDYEEKYSA-N 0 3 282.428 2.340 10 0 CEAEHN Cc1oncc1CN1CCC[C@@H]1Cn1ccnc1C ZINC000128839097 162297860 /nfs/dbraw/zinc/29/78/60/162297860.db2.gz OUXYYSULXMQXTH-CQSZACIVSA-N 0 3 260.341 2.153 10 0 CEAEHN C[C@H]1CN(CCCOCC(F)(F)F)CCS1 ZINC000171687743 162387918 /nfs/dbraw/zinc/38/79/18/162387918.db2.gz TXWJXISBVGPESY-VIFPVBQESA-N 0 3 257.321 2.393 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCS[C@@H](C)C1 ZINC000171425668 162384851 /nfs/dbraw/zinc/38/48/51/162384851.db2.gz RGWGYPIORRJTJB-STQMWFEESA-N 0 3 287.473 2.110 10 0 CEAEHN CC(C)c1noc([C@H](C)N2CCN3CCC[C@@H]3C2)n1 ZINC000171639671 165050756 /nfs/dbraw/zinc/05/07/56/165050756.db2.gz KFHIQOIAWDFSJV-NWDGAFQWSA-N 0 3 264.373 2.034 10 0 CEAEHN c1ccc2oc(CN3CCN4CCC[C@@H]4C3)nc2c1 ZINC000171639891 165051346 /nfs/dbraw/zinc/05/13/46/165051346.db2.gz VMYRHRHHIPUKKM-GFCCVEGCSA-N 0 3 257.337 2.108 10 0 CEAEHN CCOc1c(F)cccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000173098975 165068419 /nfs/dbraw/zinc/06/84/19/165068419.db2.gz YTKYKSULWXNVPE-LBPRGKRZSA-N 0 3 292.354 2.145 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1Cc1ccncc1 ZINC000178331299 165234612 /nfs/dbraw/zinc/23/46/12/165234612.db2.gz QZOYVLUDVVPCLW-OAHLLOKOSA-N 0 3 256.353 2.251 10 0 CEAEHN CCn1ccnc1CN1CCC[C@@H]1Cn1ccnc1C ZINC000178309846 165235421 /nfs/dbraw/zinc/23/54/21/165235421.db2.gz JTCJQYNCEWXKNJ-CQSZACIVSA-N 0 3 273.384 2.073 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1CCOCC(F)(F)F ZINC000178330323 165235455 /nfs/dbraw/zinc/23/54/55/165235455.db2.gz UVHRQKPMIOSVGS-LBPRGKRZSA-N 0 3 291.317 2.235 10 0 CEAEHN CCn1nc(C)c(NC(=O)N[C@H]2CCCN(CC)C2)c1C ZINC000179538985 165283845 /nfs/dbraw/zinc/28/38/45/165283845.db2.gz FPKRIDZVEREFBK-ZDUSSCGKSA-N 0 3 293.415 2.126 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(CC)C2)CCO1 ZINC000183357959 165395445 /nfs/dbraw/zinc/39/54/45/165395445.db2.gz CIQNQRDAODQZDP-RBSFLKMASA-N 0 3 282.428 2.182 10 0 CEAEHN CN(CCc1ccccn1)C[C@H]1CNc2ccccc2O1 ZINC000020074361 170983776 /nfs/dbraw/zinc/98/37/76/170983776.db2.gz UNACXEKWLCQMFE-OAHLLOKOSA-N 0 3 283.375 2.429 10 0 CEAEHN CN(C)C[C@H](NCc1ccccn1)c1ccccc1 ZINC000020129437 171018068 /nfs/dbraw/zinc/01/80/68/171018068.db2.gz AYBOSLVSTJGTEK-INIZCTEOSA-N 0 3 255.365 2.474 10 0 CEAEHN CC(C)CN1CCN([C@H](CN)c2cccs2)CC1 ZINC000020179375 171044455 /nfs/dbraw/zinc/04/44/55/171044455.db2.gz WOHFYJUBIWZXCF-CYBMUJFWSA-N 0 3 267.442 2.022 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)N1CCCCCC1 ZINC000020189492 171055579 /nfs/dbraw/zinc/05/55/79/171055579.db2.gz VROFUCRKXDXPJB-UHFFFAOYSA-N 0 3 282.409 2.018 10 0 CEAEHN Cc1c(C(=O)Nc2ccccc2[C@H](C)N)cnn1C ZINC000020251783 171104672 /nfs/dbraw/zinc/10/46/72/171104672.db2.gz UDGJKKXAFCNALQ-VIFPVBQESA-N 0 3 258.325 2.001 10 0 CEAEHN CNC(=O)[C@H](C)NCCc1ccc(Cl)cc1Cl ZINC000020308951 171143708 /nfs/dbraw/zinc/14/37/08/171143708.db2.gz ZVDQAGNDAYVVRN-QMMMGPOBSA-N 0 3 275.179 2.260 10 0 CEAEHN C[C@@H]1CN([C@H](CN)c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000022168390 171366948 /nfs/dbraw/zinc/36/69/48/171366948.db2.gz CFVQXHGAFNUKCZ-ISTVAULSSA-N 0 3 270.323 2.074 10 0 CEAEHN NCc1ccccc1NC(=O)Cn1cnc2ccccc21 ZINC000022175720 171370401 /nfs/dbraw/zinc/37/04/01/171370401.db2.gz HIMDPUCMJQEIPW-UHFFFAOYSA-N 0 3 280.331 2.134 10 0 CEAEHN COc1cccc([C@@H](CN)N(C)C(C)C)c1OC ZINC000022220023 171377113 /nfs/dbraw/zinc/37/71/13/171377113.db2.gz YYQBEHJHNQVACE-GFCCVEGCSA-N 0 3 252.358 2.044 10 0 CEAEHN COCCCNC(=O)[C@H](C)N[C@@H]1CCCc2ccccc21 ZINC000035221869 172064392 /nfs/dbraw/zinc/06/43/92/172064392.db2.gz VPJZXJUSWVXFTO-XJKSGUPXSA-N 0 3 290.407 2.195 10 0 CEAEHN CCNCc1cccc(OC)c1OC[C@H]1CCCO1 ZINC000035413712 172186898 /nfs/dbraw/zinc/18/68/98/172186898.db2.gz YDCKXFHBALDVTN-CYBMUJFWSA-N 0 3 265.353 2.363 10 0 CEAEHN CCNCc1c(N2CCCC2)nc2sccn12 ZINC000035429558 172197133 /nfs/dbraw/zinc/19/71/33/172197133.db2.gz AYVBVEYKBGWUKB-UHFFFAOYSA-N 0 3 250.371 2.106 10 0 CEAEHN CC[C@@H](C)N(C)c1nc2sccn2c1CNC ZINC000035430202 172199626 /nfs/dbraw/zinc/19/96/26/172199626.db2.gz DZJKDJHXNNXKQC-SECBINFHSA-N 0 3 252.387 2.350 10 0 CEAEHN CCN[C@@H](C)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC000035632807 172315817 /nfs/dbraw/zinc/31/58/17/172315817.db2.gz NCJDQQVLBZGHOE-NSHDSACASA-N 0 3 270.398 2.044 10 0 CEAEHN CNCc1cc(Cl)cc(Cl)c1O[C@@H](C)C(=O)NC ZINC000035661987 172340520 /nfs/dbraw/zinc/34/05/20/172340520.db2.gz UJHIYFZOXLQCKR-ZETCQYMHSA-N 0 3 291.178 2.226 10 0 CEAEHN CCCN[C@@H]1c2cc(F)ccc2S(=O)(=O)C[C@H]1C ZINC000035761543 172399764 /nfs/dbraw/zinc/39/97/64/172399764.db2.gz RMGUOEITKDEHOK-RNCFNFMXSA-N 0 3 271.357 2.290 10 0 CEAEHN COc1ccc(N)cc1CN(C)[C@@H]1CCSC1 ZINC000037174124 173008771 /nfs/dbraw/zinc/00/87/71/173008771.db2.gz WFIVDZUOYLWDRK-GFCCVEGCSA-N 0 3 252.383 2.215 10 0 CEAEHN CCCC[C@@H](NCC(=O)NC)c1ccc(F)cc1 ZINC000037224702 173044520 /nfs/dbraw/zinc/04/45/20/173044520.db2.gz NLNFRWBMDFJGBW-CYBMUJFWSA-N 0 3 252.333 2.393 10 0 CEAEHN NC[C@@H](c1cc(F)ccc1F)N1CCSCC1 ZINC000037233562 173052713 /nfs/dbraw/zinc/05/27/13/173052713.db2.gz RMFAIGOYBDJDBN-LBPRGKRZSA-N 0 3 258.337 2.013 10 0 CEAEHN CNCc1cc(F)ccc1N(C)[C@@H]1CCSC1 ZINC000037236802 173054604 /nfs/dbraw/zinc/05/46/04/173054604.db2.gz QXHOZUAIVCLWCX-GFCCVEGCSA-N 0 3 254.374 2.487 10 0 CEAEHN Cc1nc2sccn2c1CN[C@H](C)[C@H]1CCCO1 ZINC000037242347 173058493 /nfs/dbraw/zinc/05/84/93/173058493.db2.gz SMHVBCFZXHLEAV-ZYHUDNBSSA-N 0 3 265.382 2.361 10 0 CEAEHN Cc1nc2sccn2c1CN[C@H]1CCC[C@H](O)C1 ZINC000037321073 173122365 /nfs/dbraw/zinc/12/23/65/173122365.db2.gz DMUSPNCTUDJDIB-QWRGUYRKSA-N 0 3 265.382 2.097 10 0 CEAEHN COc1ccc(C)cc1NC(=O)CNC1CCCC1 ZINC000037386810 173169969 /nfs/dbraw/zinc/16/99/69/173169969.db2.gz QHRBTWQMOQSXFG-UHFFFAOYSA-N 0 3 262.353 2.474 10 0 CEAEHN CC(C)NCC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000037395292 173175513 /nfs/dbraw/zinc/17/55/13/173175513.db2.gz KOIKNGYCRCBKFS-UHFFFAOYSA-N 0 3 270.716 2.005 10 0 CEAEHN CC(C)[C@@H](N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000037508601 173242601 /nfs/dbraw/zinc/24/26/01/173242601.db2.gz AJJFNBIOYIYDEF-GFCCVEGCSA-N 0 3 264.325 2.116 10 0 CEAEHN CN[C@@H](C)c1ccccc1OCCCC(=O)OC ZINC000037706796 173627545 /nfs/dbraw/zinc/62/75/45/173627545.db2.gz XCZMBHCXAVMVLY-NSHDSACASA-N 0 3 251.326 2.299 10 0 CEAEHN COC(=O)CCNC[C@H](O)c1cc(Cl)ccc1Cl ZINC000037753248 173676632 /nfs/dbraw/zinc/67/66/32/173676632.db2.gz MKIVDKZFNQNTFA-NSHDSACASA-N 0 3 292.162 2.180 10 0 CEAEHN CC(C)CCCNCc1nc2ccccc2c(=O)[nH]1 ZINC000037999727 173962264 /nfs/dbraw/zinc/96/22/64/173962264.db2.gz WJROLECZVYKSLR-UHFFFAOYSA-N 0 3 259.353 2.449 10 0 CEAEHN COC(=O)c1ccccc1CNC[C@@H](C)N1CCCCC1 ZINC000038028971 174018561 /nfs/dbraw/zinc/01/85/61/174018561.db2.gz NJAOOUAOJAYACU-CQSZACIVSA-N 0 3 290.407 2.437 10 0 CEAEHN C[C@H](Cc1ccco1)N[C@H](C)C(=O)N1CCCCC1 ZINC000038092874 174106834 /nfs/dbraw/zinc/10/68/34/174106834.db2.gz YAXXWDBAQNSJTL-CHWSQXEVSA-N 0 3 264.369 2.201 10 0 CEAEHN COc1cccc(NC(=O)CNCC(C)(C)C)c1 ZINC000040493774 174293428 /nfs/dbraw/zinc/29/34/28/174293428.db2.gz OBZFFERDAQUYJW-UHFFFAOYSA-N 0 3 250.342 2.269 10 0 CEAEHN Cc1cccc(CC[C@H](C)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000040500418 174297103 /nfs/dbraw/zinc/29/71/03/174297103.db2.gz SFMVAZJAZXUPNF-DZGCQCFKSA-N 0 3 281.421 2.093 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(N)c2)C1 ZINC000040501621 174298301 /nfs/dbraw/zinc/29/83/01/174298301.db2.gz FRYAFLFGOGEMAM-NSHDSACASA-N 0 3 281.787 2.136 10 0 CEAEHN CCN1CCC[C@@H](NCc2cccc(OC)c2OC)C1 ZINC000040502362 174298921 /nfs/dbraw/zinc/29/89/21/174298921.db2.gz KUSDNCMWLOZJHQ-CQSZACIVSA-N 0 3 278.396 2.278 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)Cc2ccncc2)n1 ZINC000040509447 174303420 /nfs/dbraw/zinc/30/34/20/174303420.db2.gz UBGQZQRALQXELJ-UHFFFAOYSA-N 0 3 256.353 2.189 10 0 CEAEHN Cc1cc(C)c(CN)c(Oc2ccc(C(N)=O)cc2)n1 ZINC000040509682 174304253 /nfs/dbraw/zinc/30/42/53/174304253.db2.gz YMLJLCUKHBRGAT-UHFFFAOYSA-N 0 3 271.320 2.048 10 0 CEAEHN CC(C)(C)NC(=O)CNCc1cc2c(s1)CCC2 ZINC000040627394 174357011 /nfs/dbraw/zinc/35/70/11/174357011.db2.gz OUGNDNLYTMJGCF-UHFFFAOYSA-N 0 3 266.410 2.241 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000040631115 174358505 /nfs/dbraw/zinc/35/85/05/174358505.db2.gz PSMLCLYWKVFNLX-XCBNKYQSSA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3c(F)cccc3F)c[nH]2)C1 ZINC000040637834 174361932 /nfs/dbraw/zinc/36/19/32/174361932.db2.gz UEMUOESJPWUXPK-KWQFWETISA-N 0 3 279.290 2.404 10 0 CEAEHN CC(C)(NC1CC(c2cccc(Cl)c2)C1)C(N)=O ZINC000040674522 174372813 /nfs/dbraw/zinc/37/28/13/174372813.db2.gz FWDQOROMBKGJFV-UHFFFAOYSA-N 0 3 266.772 2.440 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)CN2CC[C@@H](C)C2)c1 ZINC000040717988 174384815 /nfs/dbraw/zinc/38/48/15/174384815.db2.gz SHDVGJLTGUBQBL-RISCZKNCSA-N 0 3 264.369 2.045 10 0 CEAEHN Cc1c(N)cccc1C(=O)NCCN1CCCCCC1 ZINC000040766876 174398418 /nfs/dbraw/zinc/39/84/18/174398418.db2.gz UQPLBZXDMFSHQT-UHFFFAOYSA-N 0 3 275.396 2.183 10 0 CEAEHN C[C@H](C(=O)NCC[C@@H]1CCCO1)[C@@H](N)c1ccccc1 ZINC000130271757 414814630 /nfs/dbraw/zinc/81/46/30/414814630.db2.gz XRYWMEZXIKJNMO-AEGPPILISA-N 0 3 276.380 2.008 10 0 CEAEHN Cc1ccc(CCC(=O)N(C)[C@H](CN)C(F)(F)F)cc1 ZINC000662980042 414816540 /nfs/dbraw/zinc/81/65/40/414816540.db2.gz YKYOSANPPNULRX-GFCCVEGCSA-N 0 3 288.313 2.276 10 0 CEAEHN N[C@@H](c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299875 175000543 /nfs/dbraw/zinc/00/05/43/175000543.db2.gz KTBGJSFRLUGQEU-GJZGRUSLSA-N 0 3 275.373 2.274 10 0 CEAEHN N[C@H](c1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300100 175000825 /nfs/dbraw/zinc/00/08/25/175000825.db2.gz NYOMCMGAZKVQRF-CPCISQLKSA-N 0 3 294.203 2.428 10 0 CEAEHN CCN[C@H](c1ccc(CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300952 175001703 /nfs/dbraw/zinc/00/17/03/175001703.db2.gz ZCDYQZDCYKUOOQ-LSDHHAIUSA-N 0 3 281.421 2.334 10 0 CEAEHN CCCN[C@H](c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000043301249 175002127 /nfs/dbraw/zinc/00/21/27/175002127.db2.gz REJYIUZJSWPQDX-RISCZKNCSA-N 0 3 285.384 2.301 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)[C@@H](N)CCSC)c1 ZINC000043318608 175005748 /nfs/dbraw/zinc/00/57/48/175005748.db2.gz HOVFNUDJRZWSQD-JTQLQIEISA-N 0 3 288.800 2.368 10 0 CEAEHN CCC[NH2+]C1CCN(C(=O)c2cc(OC)ccc2[O-])CC1 ZINC000043327675 175009472 /nfs/dbraw/zinc/00/94/72/175009472.db2.gz SBZUQWQOMCIBSN-UHFFFAOYSA-N 0 3 292.379 2.005 10 0 CEAEHN COc1ccc(CN(C)[C@H](CN)c2ccncc2)cc1 ZINC000043354028 175021568 /nfs/dbraw/zinc/02/15/68/175021568.db2.gz PALWQBMGPJOSIF-MRXNPFEDSA-N 0 3 271.364 2.222 10 0 CEAEHN COc1cccc(CN(C)[C@H](CN)c2ccncc2)c1 ZINC000043354034 175021657 /nfs/dbraw/zinc/02/16/57/175021657.db2.gz CMYIGXMWMBNSBW-MRXNPFEDSA-N 0 3 271.364 2.222 10 0 CEAEHN CN[C@@H](CN1CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000043806409 175108578 /nfs/dbraw/zinc/10/85/78/175108578.db2.gz NAQCUBSHEOIXHE-HNNXBMFYSA-N 0 3 290.407 2.450 10 0 CEAEHN CN[C@@H](CN(C)CC(F)(F)F)c1ccc(OC)cc1 ZINC000043900580 175121905 /nfs/dbraw/zinc/12/19/05/175121905.db2.gz CPNGVQBECVZWEQ-LBPRGKRZSA-N 0 3 276.302 2.450 10 0 CEAEHN CN[C@@H](CN1CCC[C@@H]1C)c1ccc(OC)cc1OC ZINC000043902390 175122530 /nfs/dbraw/zinc/12/25/30/175122530.db2.gz KIZSOCQBBHGKGU-WFASDCNBSA-N 0 3 278.396 2.449 10 0 CEAEHN CN[C@@H](CN1CC[C@@H](C)C1)c1ccc(OC)cc1OC ZINC000043907992 175123543 /nfs/dbraw/zinc/12/35/43/175123543.db2.gz SJGOJJKSPYWEQG-DOMZBBRYSA-N 0 3 278.396 2.306 10 0 CEAEHN CN[C@H](CN(C)[C@@H](C)COC)c1cc(C)ccc1OC ZINC000043969109 175130450 /nfs/dbraw/zinc/13/04/50/175130450.db2.gz WZKJCPTUYLFJIS-DZGCQCFKSA-N 0 3 280.412 2.231 10 0 CEAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1cnn(C)c1 ZINC000044495149 175182793 /nfs/dbraw/zinc/18/27/93/175182793.db2.gz ZHPDAYUEZWVCGB-BBRMVZONSA-N 0 3 272.396 2.374 10 0 CEAEHN CC(C)C(=O)NCCN[C@@H]1CCCc2cc(O)ccc21 ZINC000044746850 175242523 /nfs/dbraw/zinc/24/25/23/175242523.db2.gz LKAKAKZRDQLLAJ-OAHLLOKOSA-N 0 3 276.380 2.131 10 0 CEAEHN CCC(CC)(C(N)=S)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000044780120 175252984 /nfs/dbraw/zinc/25/29/84/175252984.db2.gz VUTXFGQDKFSZLQ-LBPRGKRZSA-N 0 3 299.484 2.070 10 0 CEAEHN C[C@H](Cn1c(N)cc2ccccc2c1=O)N1CCCCC1 ZINC000045006817 175288636 /nfs/dbraw/zinc/28/86/36/175288636.db2.gz GUNZFQJGUUWNFO-CYBMUJFWSA-N 0 3 285.391 2.458 10 0 CEAEHN CN(CC(=O)Nc1ccccc1CN)CC(C)(C)C ZINC000045068449 175299949 /nfs/dbraw/zinc/29/99/49/175299949.db2.gz UUBCIQXKUWPXQJ-UHFFFAOYSA-N 0 3 263.385 2.062 10 0 CEAEHN CCCNC(=O)CCNC1=N[C@@H](CC(C)C)CS1 ZINC000045086611 175304500 /nfs/dbraw/zinc/30/45/00/175304500.db2.gz BTANZLNWQFHMMM-NSHDSACASA-N 0 3 271.430 2.010 10 0 CEAEHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000045116627 175311333 /nfs/dbraw/zinc/31/13/33/175311333.db2.gz UMKCSKOETFZFHV-NOZJJQNGSA-N 0 3 260.337 2.467 10 0 CEAEHN CCCN[C@@](C)(CN1CCC[C@@H]1CC)C(=O)OCC ZINC000045221183 175330068 /nfs/dbraw/zinc/33/00/68/175330068.db2.gz MIDQYYVHDSRXPX-ZFWWWQNUSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCCN(C)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045222093 175330524 /nfs/dbraw/zinc/33/05/24/175330524.db2.gz OXNOQCLOCKTOPS-CQSZACIVSA-N 0 3 258.406 2.038 10 0 CEAEHN CCOC(=O)[C@@](CN1CCC[C@@H]1C)(NC)c1ccccc1 ZINC000045221475 175330824 /nfs/dbraw/zinc/33/08/24/175330824.db2.gz ZMYLZWVLMNGBBC-YOEHRIQHSA-N 0 3 290.407 2.149 10 0 CEAEHN COC(=O)[C@@](C)(CCN1CCC(C)CC1)NC(C)C ZINC000045225578 175332506 /nfs/dbraw/zinc/33/25/06/175332506.db2.gz BSMYBLOHIGNBRR-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN C[N@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C1CCCCC1 ZINC000045231240 175334639 /nfs/dbraw/zinc/33/46/39/175334639.db2.gz SHICIAIPJPNFBO-HNNXBMFYSA-N 0 3 268.401 2.236 10 0 CEAEHN C[N@@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C1CCCCC1 ZINC000045231240 175334641 /nfs/dbraw/zinc/33/46/41/175334641.db2.gz SHICIAIPJPNFBO-HNNXBMFYSA-N 0 3 268.401 2.236 10 0 CEAEHN CCN[C@@](CN(C)[C@@H](C)CC)(C(=O)OC)c1ccccc1 ZINC000045263788 175337688 /nfs/dbraw/zinc/33/76/88/175337688.db2.gz IFTBKRCAMILSDY-WMLDXEAASA-N 0 3 292.423 2.395 10 0 CEAEHN CCCN(C[C@](NC)(C(=O)OC)c1ccccc1)C(C)C ZINC000045266696 175338882 /nfs/dbraw/zinc/33/88/82/175338882.db2.gz ZZJAQBPUFINFSA-QGZVFWFLSA-N 0 3 292.423 2.395 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](C)C(CC)CC)C(=O)[O-] ZINC000045269691 175341721 /nfs/dbraw/zinc/34/17/21/175341721.db2.gz YCNDGVBWGMXDLX-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](C)C(CC)CC)C(=O)[O-] ZINC000045269691 175341722 /nfs/dbraw/zinc/34/17/22/175341722.db2.gz YCNDGVBWGMXDLX-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(C)C(CC)CC)C(=O)[O-] ZINC000045269691 175341724 /nfs/dbraw/zinc/34/17/24/175341724.db2.gz YCNDGVBWGMXDLX-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCN[C@@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273814 175343788 /nfs/dbraw/zinc/34/37/88/175343788.db2.gz BYLFJCUAQFOIGH-HNNXBMFYSA-N 0 3 272.433 2.443 10 0 CEAEHN CCOC(=O)[C@@](CN(C)CC1CC1)(NC)c1ccccc1 ZINC000045272913 175343910 /nfs/dbraw/zinc/34/39/10/175343910.db2.gz ODVNFUKPTMQUFA-KRWDZBQOSA-N 0 3 290.407 2.006 10 0 CEAEHN CCOC(=O)[C@@](N)(CN(C)CCC(C)C)c1ccccc1 ZINC000045281179 175351709 /nfs/dbraw/zinc/35/17/09/175351709.db2.gz ZROHRANUWBFSOR-QGZVFWFLSA-N 0 3 292.423 2.382 10 0 CEAEHN C[C@@H](NC[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1F ZINC000658245595 415280142 /nfs/dbraw/zinc/28/01/42/415280142.db2.gz SRTJXBLMGVQBJQ-ZJUUUORDSA-N 0 3 268.307 2.094 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccccc2SC)CCCN1 ZINC000659275235 415483435 /nfs/dbraw/zinc/48/34/35/415483435.db2.gz KRZPJQKPRISSJL-CQSZACIVSA-N 0 3 280.393 2.116 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659381802 415553123 /nfs/dbraw/zinc/55/31/23/415553123.db2.gz JWHJNKSEBLNYLL-RXMQYKEDSA-N 0 3 293.111 2.274 10 0 CEAEHN NCc1ccn(Cc2ccc(Br)cc2F)n1 ZINC000070708198 176002286 /nfs/dbraw/zinc/00/22/86/176002286.db2.gz CIOZJYBIWXJJKM-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000070987217 176018428 /nfs/dbraw/zinc/01/84/28/176018428.db2.gz GYHKJSJDZFKJOU-TZMCWYRMSA-N 0 3 266.291 2.118 10 0 CEAEHN CCc1ccc([C@@H]2[C@H](N)CCC(=O)N2C2CC2)s1 ZINC000070987201 176018574 /nfs/dbraw/zinc/01/85/74/176018574.db2.gz JNHBMTKHOWVMHI-RISCZKNCSA-N 0 3 264.394 2.464 10 0 CEAEHN OCC[C@H]1CCCN(C[C@@H]2OCCc3ccccc32)C1 ZINC000071030922 176022187 /nfs/dbraw/zinc/02/21/87/176022187.db2.gz FVGNNBMEGLPSQV-PBHICJAKSA-N 0 3 275.392 2.395 10 0 CEAEHN C[C@@H](c1ccccc1F)N1CC[C@H](NC2CC2)C1=O ZINC000071031900 176023137 /nfs/dbraw/zinc/02/31/37/176023137.db2.gz GLHPFHOVINUQGF-HZMBPMFUSA-N 0 3 262.328 2.240 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1Cc1ccc(F)cc1 ZINC000071033392 176023475 /nfs/dbraw/zinc/02/34/75/176023475.db2.gz HOAGXXOAFFTPBB-CQSZACIVSA-N 0 3 262.328 2.069 10 0 CEAEHN Cc1ccc([C@H](C)N2CCC[C@H](NC3CC3)C2=O)o1 ZINC000071033757 176024382 /nfs/dbraw/zinc/02/43/82/176024382.db2.gz CDOHXRJJLJTOQT-AAEUAGOBSA-N 0 3 262.353 2.392 10 0 CEAEHN Cc1nc(C)c([C@@H](C)N2CC[C@@H](NC3CC3)C2=O)s1 ZINC000071036207 176025181 /nfs/dbraw/zinc/02/51/81/176025181.db2.gz AMPXISVETHWMSC-BXKDBHETSA-N 0 3 279.409 2.174 10 0 CEAEHN CC1(N2CCC[C@H](NC3CC3)C2=O)CCCCC1 ZINC000071036300 176025583 /nfs/dbraw/zinc/02/55/83/176025583.db2.gz CACOTQDMEKEOLQ-ZDUSSCGKSA-N 0 3 250.386 2.452 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2nc(C3CC3)cs2)C1=O ZINC000071036476 176026082 /nfs/dbraw/zinc/02/60/82/176026082.db2.gz ONJFJDVXEADDSR-SNVBAGLBSA-N 0 3 265.382 2.124 10 0 CEAEHN CC(C)N[C@H]1CCN(c2ccc(F)c(F)c2F)C1=O ZINC000071037806 176026616 /nfs/dbraw/zinc/02/66/16/176026616.db2.gz HBTGHBXITCKMCM-VIFPVBQESA-N 0 3 272.270 2.207 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1C1CCCCCC1 ZINC000071039662 176027168 /nfs/dbraw/zinc/02/71/68/176027168.db2.gz MNQAXJFOCXUPDZ-AWEZNQCLSA-N 0 3 250.386 2.452 10 0 CEAEHN CC(C)Oc1ccc(N2CC[C@@H](NC3CC3)C2=O)cc1 ZINC000071039096 176027360 /nfs/dbraw/zinc/02/73/60/176027360.db2.gz DBYKYUWKTXRRHG-OAHLLOKOSA-N 0 3 274.364 2.331 10 0 CEAEHN CCN[C@@H]1CCCN(c2cc(F)cc(F)c2F)C1=O ZINC000071042860 176029085 /nfs/dbraw/zinc/02/90/85/176029085.db2.gz AWCRXECCVXMXDZ-SNVBAGLBSA-N 0 3 272.270 2.209 10 0 CEAEHN CC[C@H](CC1CC1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071043916 176029984 /nfs/dbraw/zinc/02/99/84/176029984.db2.gz UEFZHXQLZBNNGI-ZIAGYGMSSA-N 0 3 250.386 2.308 10 0 CEAEHN CN1CC[C@H](Oc2ccc(CNC3CC3)cc2Cl)C1=O ZINC000071183068 176058305 /nfs/dbraw/zinc/05/83/05/176058305.db2.gz RKPRJNATJWESBP-AWEZNQCLSA-N 0 3 294.782 2.202 10 0 CEAEHN C[C@@H]1CCC[C@@H]1NCc1cc(C(N)=O)ccc1F ZINC000071207300 176080708 /nfs/dbraw/zinc/08/07/08/176080708.db2.gz KEFHFFRWUZAIIA-RNCFNFMXSA-N 0 3 250.317 2.203 10 0 CEAEHN CCOC(=O)CCCCCN1CCC(C(=O)OCC)CC1 ZINC000071297907 176112761 /nfs/dbraw/zinc/11/27/61/176112761.db2.gz QNQITVJJBFEAJZ-UHFFFAOYSA-N 0 3 299.411 2.385 10 0 CEAEHN COc1ccc(CNC2=NC[C@H](C3CC3)S2)cn1 ZINC000071308119 176116002 /nfs/dbraw/zinc/11/60/02/176116002.db2.gz MWCAJKCZNGPISN-LLVKDONJSA-N 0 3 263.366 2.061 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1ccc(C)cc1CNC ZINC000071403527 176154844 /nfs/dbraw/zinc/15/48/44/176154844.db2.gz NVWPXQQAWBSZPI-LLVKDONJSA-N 0 3 251.326 2.045 10 0 CEAEHN CCCCOC(=O)COc1ccc(C)cc1CN ZINC000071403184 176154846 /nfs/dbraw/zinc/15/48/46/176154846.db2.gz FBKDMASHKKEUBC-UHFFFAOYSA-N 0 3 251.326 2.176 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)Oc1ccc(C)cc1CNC ZINC000071403700 176155089 /nfs/dbraw/zinc/15/50/89/176155089.db2.gz AQPOZTGPTNWNIZ-ZDUSSCGKSA-N 0 3 278.396 2.350 10 0 CEAEHN Cc1ccncc1NC(=O)Nc1cccc(CN)c1 ZINC000071414518 176159461 /nfs/dbraw/zinc/15/94/61/176159461.db2.gz LNVSHTABLGVVIM-UHFFFAOYSA-N 0 3 256.309 2.493 10 0 CEAEHN c1csc([C@H]2CCCCN2C[C@@H]2CCC3(CNC3)O2)n1 ZINC000662260289 415729552 /nfs/dbraw/zinc/72/95/52/415729552.db2.gz KNAAJEJRWCKMPI-QWHCGFSZSA-N 0 3 293.436 2.191 10 0 CEAEHN CN[C@H](C(=O)c1ccc(OC)cc1OC)C(C)C ZINC000071573115 176199949 /nfs/dbraw/zinc/19/99/49/176199949.db2.gz KGJALICRJFBRAI-ZDUSSCGKSA-N 0 3 251.326 2.131 10 0 CEAEHN COc1ccc([C@H](CN)N2CCCCC2)cc1F ZINC000071574203 176200966 /nfs/dbraw/zinc/20/09/66/176200966.db2.gz IFHCUPHURCCKBU-ZDUSSCGKSA-N 0 3 252.333 2.320 10 0 CEAEHN Cc1cnc([C@@H](C)NC(=O)c2cc3c(s2)CCNC3)o1 ZINC000662514382 415872160 /nfs/dbraw/zinc/87/21/60/415872160.db2.gz NCRLOEFNPOZORV-SECBINFHSA-N 0 3 291.376 2.181 10 0 CEAEHN Cc1cnc([C@@H](C)NC(=O)c2cccc3c2CNC3)o1 ZINC000662514623 415872398 /nfs/dbraw/zinc/87/23/98/415872398.db2.gz PWXIHUMNYCBMTC-SNVBAGLBSA-N 0 3 271.320 2.077 10 0 CEAEHN NCc1cccc(CS(=O)(=O)Cc2ccccc2)c1 ZINC000076981352 177137626 /nfs/dbraw/zinc/13/76/26/177137626.db2.gz JVSNLOREAMEURB-UHFFFAOYSA-N 0 3 275.373 2.260 10 0 CEAEHN Cc1cccc(OCC(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000078614232 177360310 /nfs/dbraw/zinc/36/03/10/177360310.db2.gz UFSKVVHMKHYLQZ-OAHLLOKOSA-N 0 3 292.423 2.466 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000136187280 419441126 /nfs/dbraw/zinc/44/11/26/419441126.db2.gz ZACCRUDDBHCTBZ-YMTOWFKASA-N 0 3 265.357 2.001 10 0 CEAEHN CCC[C@H](C)N1CCN(c2nccc(OCC)n2)CC1 ZINC000187683496 270255514 /nfs/dbraw/zinc/25/55/14/270255514.db2.gz UYLPJTNQLUVOGG-ZDUSSCGKSA-N 0 3 278.400 2.186 10 0 CEAEHN CCn1cncc1CNC(C)(C)CNC(=O)OC(C)(C)C ZINC000227697471 270311367 /nfs/dbraw/zinc/31/13/67/270311367.db2.gz YVPDDUHLHDCCEG-UHFFFAOYSA-N 0 3 296.415 2.296 10 0 CEAEHN CCOc1ccccc1[C@H](C)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000393002424 270341827 /nfs/dbraw/zinc/34/18/27/270341827.db2.gz LWZDCYAHOCWWON-OUCADQQQSA-N 0 3 276.380 2.403 10 0 CEAEHN CCc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)nc1 ZINC000398758270 270362018 /nfs/dbraw/zinc/36/20/18/270362018.db2.gz AQNQFBOTDLOTCH-SQWLQELKSA-N 0 3 260.381 2.237 10 0 CEAEHN C[C@H]1CC[C@@H](O)CN1CCOc1ccc(F)cc1 ZINC000399334507 270369448 /nfs/dbraw/zinc/36/94/48/270369448.db2.gz ZYDVKWJJJLTZHJ-WCQYABFASA-N 0 3 253.317 2.050 10 0 CEAEHN COc1ccc2c(Cl)ncc(N3CCNCC3)c2c1 ZINC000091692536 274121491 /nfs/dbraw/zinc/12/14/91/274121491.db2.gz KVLANSVTGNIVSX-UHFFFAOYSA-N 0 3 277.755 2.306 10 0 CEAEHN Cc1nc2ccc(Cl)cc2c(N2CCNCC2)n1 ZINC000040351394 274850146 /nfs/dbraw/zinc/85/01/46/274850146.db2.gz SBVDCHLCMRSOOH-UHFFFAOYSA-N 0 3 262.744 2.001 10 0 CEAEHN CC(C)(C)OC(=O)N1CCN[C@H](C2CCCC2)C1 ZINC000095752798 275825469 /nfs/dbraw/zinc/82/54/69/275825469.db2.gz PKFRBQGRHHLBGM-LBPRGKRZSA-N 0 3 254.374 2.386 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 ZINC000173045986 276873299 /nfs/dbraw/zinc/87/32/99/276873299.db2.gz GLCXIAKSAQKRJR-GXFFZTMASA-N 0 3 296.461 2.241 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCc1ccno1 ZINC000232504907 277200662 /nfs/dbraw/zinc/20/06/62/277200662.db2.gz NHRYTOPYKPZNLS-YPMHNXCESA-N 0 3 295.383 2.458 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(C)C ZINC000153165287 278853404 /nfs/dbraw/zinc/85/34/04/278853404.db2.gz AZLIIGRMSKUEEV-HNNXBMFYSA-N 0 3 278.396 2.384 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC1CCCC1 ZINC000123271545 279127420 /nfs/dbraw/zinc/12/74/20/279127420.db2.gz HBSYXIFAUZJQDE-CYBMUJFWSA-N 0 3 255.406 2.205 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H]2CCCC2(C)C)C1 ZINC000246602585 279295036 /nfs/dbraw/zinc/29/50/36/279295036.db2.gz KIAXSCRQAQBROU-OLZOCXBDSA-N 0 3 267.417 2.349 10 0 CEAEHN CCC[C@@H](C(=O)NCC[C@H](OCC)C(C)C)N(C)C ZINC000126712303 279840788 /nfs/dbraw/zinc/84/07/88/279840788.db2.gz GQVIRTORANHAOP-KBPBESRZSA-N 0 3 272.433 2.284 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000182190775 280218357 /nfs/dbraw/zinc/21/83/57/280218357.db2.gz AGPQZHLSJVPPLI-IHRRRGAJSA-N 0 3 267.417 2.157 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000125692979 280220870 /nfs/dbraw/zinc/22/08/70/280220870.db2.gz NOUYUICWSDCZJY-OLZOCXBDSA-N 0 3 255.406 2.205 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)OCC(F)(F)F)C1 ZINC000246166655 280277955 /nfs/dbraw/zinc/27/79/55/280277955.db2.gz FCFQACAEKQEOPA-DTWKUNHWSA-N 0 3 268.279 2.004 10 0 CEAEHN CCC[C@@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000249275216 280390327 /nfs/dbraw/zinc/39/03/27/280390327.db2.gz LSLYOMXDVQFECR-UKRRQHHQSA-N 0 3 265.401 2.389 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H]2CCc3ncnn3C2)s1 ZINC000180596071 280980404 /nfs/dbraw/zinc/98/04/04/280980404.db2.gz FVOXRPUUHKFCMC-WDEREUQCSA-N 0 3 262.382 2.314 10 0 CEAEHN Cc1ccc2c(c1)[C@H](N[C@H](C)CS(C)(=O)=O)[C@H](C)C2 ZINC000245951771 281125169 /nfs/dbraw/zinc/12/51/69/281125169.db2.gz LFBIXSNHNQQVOA-LALPHHSUSA-N 0 3 281.421 2.251 10 0 CEAEHN Cc1ccc2cc(C(=O)N3CCN4CCC[C@@H]4C3)[nH]c2c1 ZINC000195328416 281139044 /nfs/dbraw/zinc/13/90/44/281139044.db2.gz XOEQFWHEUUDBCK-CQSZACIVSA-N 0 3 283.375 2.397 10 0 CEAEHN Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@H]1CN(C)CCO1 ZINC000246415272 281303868 /nfs/dbraw/zinc/30/38/68/281303868.db2.gz MTSDIFULPJNFBM-YCPHGPKFSA-N 0 3 274.408 2.464 10 0 CEAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000248852457 289992340 /nfs/dbraw/zinc/99/23/40/289992340.db2.gz HQDRZBDKGISHRK-AICCOOGYSA-N 0 3 282.428 2.037 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCCC2(C)C)C1 ZINC000157177629 289209033 /nfs/dbraw/zinc/20/90/33/289209033.db2.gz GJJBZBNEKWDIJG-CHWSQXEVSA-N 0 3 267.417 2.301 10 0 CEAEHN COc1c(CN2C[C@H](C)C[C@H](C)C2)c(C)nn1C ZINC000158015423 289226267 /nfs/dbraw/zinc/22/62/67/289226267.db2.gz LLODLYBYZVYOJZ-PHIMTYICSA-N 0 3 251.374 2.215 10 0 CEAEHN c1sc2ccccc2c1CN1CC[C@H]2OCCN[C@H]2C1 ZINC000404075484 289291337 /nfs/dbraw/zinc/29/13/37/289291337.db2.gz QNSXLGFXQQUCRV-LSDHHAIUSA-N 0 3 288.416 2.464 10 0 CEAEHN COc1csc(C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000176656464 295442549 /nfs/dbraw/zinc/44/25/49/295442549.db2.gz CDAOAYCDIFHCPN-LLVKDONJSA-N 0 3 284.425 2.463 10 0 CEAEHN CCC[C@H](C(=O)N1CC[C@@H](OCCC(C)C)C1)N(C)C ZINC000162437175 297452259 /nfs/dbraw/zinc/45/22/59/297452259.db2.gz XSWJUVMPOPOYHC-HUUCEWRRSA-N 0 3 284.444 2.380 10 0 CEAEHN C[C@H](NC(=O)C1(N)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000088129616 299031010 /nfs/dbraw/zinc/03/10/10/299031010.db2.gz HBWDQLHXYMJKFM-OWWVKFPZSA-N 0 3 262.397 2.199 10 0 CEAEHN Cc1ccccc1[C@H](C)N1CCO[C@@H](CN(C)C)C1 ZINC000248135915 302175931 /nfs/dbraw/zinc/17/59/31/302175931.db2.gz PBKYSHFWENECLL-GJZGRUSLSA-N 0 3 262.397 2.318 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516833 519736124 /nfs/dbraw/zinc/73/61/24/519736124.db2.gz FZICJMOSHCDGJB-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)N[C@H](CCOc1ccccc1C(C)C)C(N)=O ZINC000062550917 519738345 /nfs/dbraw/zinc/73/83/45/519738345.db2.gz VZJOUWJOIBIOKG-CQSZACIVSA-N 0 3 278.396 2.431 10 0 CEAEHN CCCNC(=O)[C@H](CN)Cc1cccc(OCCC)c1 ZINC000052920852 519894813 /nfs/dbraw/zinc/89/48/13/519894813.db2.gz GAXAVMQBBVTLJK-AWEZNQCLSA-N 0 3 278.396 2.119 10 0 CEAEHN CCCC1CCN(CC[C@@](C)(NCC)C(=O)OC)CC1 ZINC000050905743 519901754 /nfs/dbraw/zinc/90/17/54/519901754.db2.gz WZHBVCHLPXCVRY-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CC[NH2+]CCS(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000049640641 519927161 /nfs/dbraw/zinc/92/71/61/519927161.db2.gz AEFIYKIQUWPSKG-UHFFFAOYSA-N 0 3 296.314 2.057 10 0 CEAEHN CCNCCS(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000049640641 519927168 /nfs/dbraw/zinc/92/71/68/519927168.db2.gz AEFIYKIQUWPSKG-UHFFFAOYSA-N 0 3 296.314 2.057 10 0 CEAEHN CCNCc1cc(CN(CCOC)[C@@H](C)CC)on1 ZINC000052547322 519988471 /nfs/dbraw/zinc/98/84/71/519988471.db2.gz YXJJFMVUJMURRA-LBPRGKRZSA-N 0 3 269.389 2.031 10 0 CEAEHN CCCN[C@@H](CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062522642 519996350 /nfs/dbraw/zinc/99/63/50/519996350.db2.gz OTQRCGXOWFKJMM-MELADBBJSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@@H](CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000062522642 519996358 /nfs/dbraw/zinc/99/63/58/519996358.db2.gz OTQRCGXOWFKJMM-MELADBBJSA-N 0 3 270.417 2.340 10 0 CEAEHN CCNCc1nc(-n2ccc(C)n2)ccc1Cl ZINC000052885123 520021099 /nfs/dbraw/zinc/02/10/99/520021099.db2.gz ZJBTWBBFGSEIKD-UHFFFAOYSA-N 0 3 250.733 2.339 10 0 CEAEHN CCN[C@@](C)(CSCc1ccccc1C)C(N)=O ZINC000054964684 520136845 /nfs/dbraw/zinc/13/68/45/520136845.db2.gz ZJDLWEGZZFEMBT-AWEZNQCLSA-N 0 3 266.410 2.082 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OC[C@@H](O)COCC ZINC000069276323 520175846 /nfs/dbraw/zinc/17/58/46/520175846.db2.gz DRDMVNUEEXHREN-KGLIPLIRSA-N 0 3 281.396 2.442 10 0 CEAEHN CCN[C@H](CCOc1cccc(C(C)C)c1)C(N)=O ZINC000062548026 520193399 /nfs/dbraw/zinc/19/33/99/520193399.db2.gz SMJHFUGAIRZAFJ-CQSZACIVSA-N 0 3 264.369 2.042 10 0 CEAEHN CCCCN(CC)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051092377 520472282 /nfs/dbraw/zinc/47/22/82/520472282.db2.gz FAXPZPJNIYAVNM-UHFFFAOYSA-N 0 3 270.764 2.283 10 0 CEAEHN CCCCN(CC)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069090155 520479041 /nfs/dbraw/zinc/47/90/41/520479041.db2.gz WCVFKESRPXENRK-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1cscn1)c1ccccc1 ZINC000062663114 521825753 /nfs/dbraw/zinc/82/57/53/521825753.db2.gz MDHCCCHVWSXLEU-GFCCVEGCSA-N 0 3 275.377 2.176 10 0 CEAEHN COCC[C@H](N)c1nc(-c2ccc(F)cc2F)c[nH]1 ZINC000052811253 521950886 /nfs/dbraw/zinc/95/08/86/521950886.db2.gz VEFSEHAJOCMFTA-NSHDSACASA-N 0 3 267.279 2.391 10 0 CEAEHN CN[C@H](c1ccc(OC)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299270 522480868 /nfs/dbraw/zinc/48/08/68/522480868.db2.gz JYDWRPQBGOATRP-QWHCGFSZSA-N 0 3 271.744 2.025 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nc(C2CCCC2)no1 ZINC000153696379 533999719 /nfs/dbraw/zinc/99/97/19/533999719.db2.gz SAIZZCNJAKSULY-GXTWGEPZSA-N 0 3 290.411 2.396 10 0 CEAEHN CN[C@@H](c1ccc(C)cc1)C(C)(C)S(C)(=O)=O ZINC000070128535 517975732 /nfs/dbraw/zinc/97/57/32/517975732.db2.gz KDZBLLGRDBAHCE-LBPRGKRZSA-N 0 3 255.383 2.079 10 0 CEAEHN Brc1cccc(N[C@@H]2CN3CCC2CC3)n1 ZINC000069017509 518222120 /nfs/dbraw/zinc/22/21/20/518222120.db2.gz WQKJBFWGROVGSK-SNVBAGLBSA-N 0 3 282.185 2.350 10 0 CEAEHN CC(C)Cn1ccnc(Oc2ccccc2CN)c1=O ZINC000061770559 519522470 /nfs/dbraw/zinc/52/24/70/519522470.db2.gz SVUSMDAHLROMFY-UHFFFAOYSA-N 0 3 273.336 2.150 10 0 CEAEHN CC(C)NCc1cccc(N2CCCO[C@H](C)C2)n1 ZINC000061935272 519727467 /nfs/dbraw/zinc/72/74/67/519727467.db2.gz GHLFHVQMOMVHQX-CYBMUJFWSA-N 0 3 263.385 2.195 10 0 CEAEHN CC(C)CN1CCN([C@H]2CNc3ccccc3C2)CC1 ZINC000055079704 519728463 /nfs/dbraw/zinc/72/84/63/519728463.db2.gz JGQMNNBEAQQIAS-MRXNPFEDSA-N 0 3 273.424 2.297 10 0 CEAEHN CC(C)N[C@](C)(C[C@@H](C)Oc1ccc(F)cc1)C(N)=O ZINC000068656465 519740241 /nfs/dbraw/zinc/74/02/41/519740241.db2.gz IBXGVTJCOBIOMM-IAQYHMDHSA-N 0 3 282.359 2.225 10 0 CEAEHN CC(C)N[C@](C)(C[C@@H](C)Oc1cccc(F)c1)C(N)=O ZINC000068656700 519740390 /nfs/dbraw/zinc/74/03/90/519740390.db2.gz LIOPCUWXCVCMPH-IAQYHMDHSA-N 0 3 282.359 2.225 10 0 CEAEHN CC(C)N[C@](COC1CCCCCC1)(C(N)=O)C1CC1 ZINC000069194452 519740678 /nfs/dbraw/zinc/74/06/78/519740678.db2.gz AGPIMRDDKZRTBK-INIZCTEOSA-N 0 3 282.428 2.358 10 0 CEAEHN CC(C)CNCc1nnnn1-c1cccc(Cl)c1 ZINC000054744291 519748799 /nfs/dbraw/zinc/74/87/99/519748799.db2.gz SDKAEVQSOKERMS-UHFFFAOYSA-N 0 3 265.748 2.061 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc(N)ccc1Cl ZINC000049191840 519793264 /nfs/dbraw/zinc/79/32/64/519793264.db2.gz QVZVVLJPJLSORP-CYBMUJFWSA-N 0 3 283.803 2.238 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(Cl)cc1N ZINC000049191851 519793341 /nfs/dbraw/zinc/79/33/41/519793341.db2.gz PUZIYDODWCORAV-CYBMUJFWSA-N 0 3 283.803 2.238 10 0 CEAEHN CCCNC(=O)COc1ccc2c(c1)OC[C@@H]2NCCC ZINC000062805236 519881219 /nfs/dbraw/zinc/88/12/19/519881219.db2.gz KHLNEWLPUSIGAK-AWEZNQCLSA-N 0 3 292.379 2.025 10 0 CEAEHN CCCNCc1cc(CN(C)CCOC)oc1C ZINC000052572806 519944295 /nfs/dbraw/zinc/94/42/95/519944295.db2.gz UVUDIAIEKPRQIT-UHFFFAOYSA-N 0 3 254.374 2.166 10 0 CEAEHN CCNCc1ccc(OC)cc1OC1CCOCC1 ZINC000069289093 519997863 /nfs/dbraw/zinc/99/78/63/519997863.db2.gz HVZXJGAIZINGNW-UHFFFAOYSA-N 0 3 265.353 2.363 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)c(F)c1)[C@H]1COCCO1 ZINC000055300750 520018756 /nfs/dbraw/zinc/01/87/56/520018756.db2.gz TYDVZNGLUDXOHT-CABCVRRESA-N 0 3 283.343 2.290 10 0 CEAEHN CCCN[C@H](CCN1CCC(C)CC1)C(=O)OCC ZINC000062439771 520074161 /nfs/dbraw/zinc/07/41/61/520074161.db2.gz MLSXHGQTXJATAK-CQSZACIVSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCC(=O)NC(C)C ZINC000062747108 520074791 /nfs/dbraw/zinc/07/47/91/520074791.db2.gz MWMAYEIZOBNQCH-NSHDSACASA-N 0 3 282.359 2.400 10 0 CEAEHN CCCN[C@H]1COc2cc(OCC(C)(C)O)ccc21 ZINC000062805116 520097383 /nfs/dbraw/zinc/09/73/83/520097383.db2.gz SOUXXCRVQBNSJL-ZDUSSCGKSA-N 0 3 265.353 2.269 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1ccc(CC)cc1 ZINC000052885553 520100592 /nfs/dbraw/zinc/10/05/92/520100592.db2.gz ZNTHCNJDRCSKBN-HNNXBMFYSA-N 0 3 275.396 2.267 10 0 CEAEHN CCN[C@@H](Cn1ccc(=O)cc1)c1cccc(OC)c1 ZINC000061627739 520108444 /nfs/dbraw/zinc/10/84/44/520108444.db2.gz BIWFQJIJSHULJK-INIZCTEOSA-N 0 3 272.348 2.208 10 0 CEAEHN CCN(C(=O)c1cc[nH]c(=NN)c1)c1cccc(C)c1 ZINC000051094178 520110681 /nfs/dbraw/zinc/11/06/81/520110681.db2.gz KLSJIPYFRNYETG-UHFFFAOYSA-N 0 3 270.336 2.342 10 0 CEAEHN CCN(C(=O)c1cc[nH]c(=NN)c1)c1ccccc1 ZINC000051121384 520110732 /nfs/dbraw/zinc/11/07/32/520110732.db2.gz RONHIKGCFOKNNR-UHFFFAOYSA-N 0 3 256.309 2.034 10 0 CEAEHN CCN(C(=O)c1cc[nH]c(=NN)c1)c1ccc(F)cc1 ZINC000051094961 520110808 /nfs/dbraw/zinc/11/08/08/520110808.db2.gz CYQKHTWGLPLHNC-UHFFFAOYSA-N 0 3 274.299 2.173 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H]1COCCO1 ZINC000055301490 520111815 /nfs/dbraw/zinc/11/18/15/520111815.db2.gz OPMFLBQWMZTBBL-HOTGVXAUSA-N 0 3 291.391 2.466 10 0 CEAEHN CCN[C@@H](c1ccccc1)[C@H](CC)S(C)(=O)=O ZINC000054930460 520113495 /nfs/dbraw/zinc/11/34/95/520113495.db2.gz OGFOVIKVKPADNO-STQMWFEESA-N 0 3 255.383 2.160 10 0 CEAEHN CCN[C@@H]1COc2cc(OC[C@H](O)C(F)(F)F)ccc21 ZINC000068878111 520123934 /nfs/dbraw/zinc/12/39/34/520123934.db2.gz PBGADURAFSYLGL-PWSUYJOCSA-N 0 3 291.269 2.032 10 0 CEAEHN CCCN[C@](COCCCC(C)C)(C(N)=O)C1CC1 ZINC000069195770 520124262 /nfs/dbraw/zinc/12/42/62/520124262.db2.gz VRXMCBPJZSJDBP-HNNXBMFYSA-N 0 3 270.417 2.073 10 0 CEAEHN CCCCCC[C@H](C)OCC[C@H](NC1CC1)C(N)=O ZINC000062542719 520131850 /nfs/dbraw/zinc/13/18/50/520131850.db2.gz GPIBLVBLZNCKBX-JSGCOSHPSA-N 0 3 270.417 2.358 10 0 CEAEHN CCN[C@@](CN1CCCCCC1)(C(=O)OCC)C1CC1 ZINC000069095158 520153960 /nfs/dbraw/zinc/15/39/60/520153960.db2.gz ASQXXSZLZPUEPK-MRXNPFEDSA-N 0 3 282.428 2.184 10 0 CEAEHN CCN[C@@](CSCc1ccccc1C)(C(N)=O)C1CC1 ZINC000069189791 520158518 /nfs/dbraw/zinc/15/85/18/520158518.db2.gz JMNPVQFQBPMCNE-MRXNPFEDSA-N 0 3 292.448 2.472 10 0 CEAEHN CCN[C@H](C)c1cc(F)ccc1Sc1n[nH]c(=O)n1C ZINC000061592938 520175971 /nfs/dbraw/zinc/17/59/71/520175971.db2.gz AQUJBPDOQBQTBK-MRVPVSSYSA-N 0 3 296.371 2.069 10 0 CEAEHN CCN[C@H](c1ccc(OC)c(OC)c1)c1cnccc1N ZINC000070320309 520208437 /nfs/dbraw/zinc/20/84/37/520208437.db2.gz SMTVUGWAOLUDMT-MRXNPFEDSA-N 0 3 287.363 2.380 10 0 CEAEHN CCN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702651 520214577 /nfs/dbraw/zinc/21/45/77/520214577.db2.gz KTUAHBHUMDULOT-KBPBESRZSA-N 0 3 267.394 2.381 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)N(CC)c1cccc(C)c1)C(N)=O ZINC000068627769 520236391 /nfs/dbraw/zinc/23/63/91/520236391.db2.gz HTCNZISJEBXXMW-RHSMWYFYSA-N 0 3 291.439 2.453 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1cc(C)cc(C)c1)C(N)=O ZINC000068656139 520236637 /nfs/dbraw/zinc/23/66/37/520236637.db2.gz QELGDISZLDGWJW-CZUORRHYSA-N 0 3 278.396 2.314 10 0 CEAEHN CCCO[C@@H]1CCCN(c2nc(C)c(CN)s2)C1 ZINC000055002266 520278319 /nfs/dbraw/zinc/27/83/19/520278319.db2.gz PGNOOQOJDGSPBF-LLVKDONJSA-N 0 3 269.414 2.306 10 0 CEAEHN CCN(CC(=O)Nc1cc(F)ccc1N)CC1CC1 ZINC000069237031 520355002 /nfs/dbraw/zinc/35/50/02/520355002.db2.gz POLWBRFBLZHBEU-UHFFFAOYSA-N 0 3 265.332 2.078 10 0 CEAEHN CCCOc1ccc(O[C@@H](C)C[C@@](C)(NC)C(N)=O)cc1 ZINC000068657282 520410547 /nfs/dbraw/zinc/41/05/47/520410547.db2.gz YMIFXQBPNMQCTF-BLLLJJGKSA-N 0 3 294.395 2.096 10 0 CEAEHN CCCOc1ccccc1NC(=O)C(C)(C)NC ZINC000061300748 520477409 /nfs/dbraw/zinc/47/74/09/520477409.db2.gz HQBAABNBFMBCKV-UHFFFAOYSA-N 0 3 250.342 2.412 10 0 CEAEHN CCCOc1ccccc1O[C@@H](C)C[C@](C)(NC)C(N)=O ZINC000068653978 520486620 /nfs/dbraw/zinc/48/66/20/520486620.db2.gz IYWUTPBLMKVOAA-LRDDRELGSA-N 0 3 294.395 2.096 10 0 CEAEHN CCC[C@@H](C)N(C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069100228 520646481 /nfs/dbraw/zinc/64/64/81/520646481.db2.gz QQSHAAQXPGEISR-CZUORRHYSA-N 0 3 284.444 2.427 10 0 CEAEHN CCCCOC(=O)Cn1ccnc1CNC(C)(C)C ZINC000051015343 520716310 /nfs/dbraw/zinc/71/63/10/520716310.db2.gz OSTMKWKIXBHMGY-UHFFFAOYSA-N 0 3 267.373 2.115 10 0 CEAEHN CCN(CC)C[C@H](C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601190 520726563 /nfs/dbraw/zinc/72/65/63/520726563.db2.gz RKCODIRENLERGZ-MELADBBJSA-N 0 3 252.402 2.303 10 0 CEAEHN CCC[C@@H](N[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000049543772 520794679 /nfs/dbraw/zinc/79/46/79/520794679.db2.gz KQAADKAFYCAOJF-WDEREUQCSA-N 0 3 273.423 2.366 10 0 CEAEHN CCOC(=O)C[C@@]1(N2CCOCC2)CC[C@H](C)C[C@@H]1C ZINC000068633906 520860759 /nfs/dbraw/zinc/86/07/59/520860759.db2.gz HNVYSZJPBMCNBC-DZKIICNBSA-N 0 3 283.412 2.467 10 0 CEAEHN CCN(CC1CC1)[C@H](CN)c1cccc(OC)c1OC ZINC000069237395 520966106 /nfs/dbraw/zinc/96/61/06/520966106.db2.gz KYKYLKJKEHSMEO-CQSZACIVSA-N 0 3 278.396 2.436 10 0 CEAEHN CCOC(=O)[C@@H](C)CNCc1ccc(F)cc1F ZINC000051017235 521004608 /nfs/dbraw/zinc/00/46/08/521004608.db2.gz GAFZCZSLOXOAAL-VIFPVBQESA-N 0 3 257.280 2.254 10 0 CEAEHN CCOC(=O)[C@@H](N)CCN1CCC2(CCCCC2)CC1 ZINC000062532935 521068893 /nfs/dbraw/zinc/06/88/93/521068893.db2.gz ZROCYMBTEFUMFB-AWEZNQCLSA-N 0 3 282.428 2.313 10 0 CEAEHN CCC(C)(C)[N@H+](C)CC[C@@](C)(NC1CC1)C(=O)[O-] ZINC000069443394 521305324 /nfs/dbraw/zinc/30/53/24/521305324.db2.gz LNFGLIIABUDKHQ-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CCC(C)(C)[N@@H+](C)CC[C@@](C)(NC1CC1)C(=O)[O-] ZINC000069443394 521305332 /nfs/dbraw/zinc/30/53/32/521305332.db2.gz LNFGLIIABUDKHQ-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN(Cc1ccccc1)Cc1ccnc(C(=N)N)c1 ZINC000068761077 521371925 /nfs/dbraw/zinc/37/19/25/521371925.db2.gz XFMRHLWVEKXIDH-UHFFFAOYSA-N 0 3 268.364 2.388 10 0 CEAEHN CCOc1cccc([C@H]2[C@H](N)CCCC(=O)N2CC)c1 ZINC000070294910 521427240 /nfs/dbraw/zinc/42/72/40/521427240.db2.gz WJYPBRRYASRZOF-ZBFHGGJFSA-N 0 3 276.380 2.486 10 0 CEAEHN CCN(c1c(CNCC(C)C)c(C)nn1C)C1CC1 ZINC000062735081 521476372 /nfs/dbraw/zinc/47/63/72/521476372.db2.gz XOYSDWQAZLHKHH-UHFFFAOYSA-N 0 3 264.417 2.463 10 0 CEAEHN CCCc1nc(N2CCO[C@@H](CC)C2)sc1CN ZINC000054997383 521534733 /nfs/dbraw/zinc/53/47/33/521534733.db2.gz XTAPUMVLHOILBQ-JTQLQIEISA-N 0 3 269.414 2.170 10 0 CEAEHN CCOC1CCN(Cc2cc(C)c(CN)o2)CC1 ZINC000052484030 521656219 /nfs/dbraw/zinc/65/62/19/521656219.db2.gz STXBBQMGQWJLJE-UHFFFAOYSA-N 0 3 252.358 2.048 10 0 CEAEHN CCOC1CCN(c2nc3c(s2)[C@H](N)CCC3)CC1 ZINC000054896426 521657834 /nfs/dbraw/zinc/65/78/34/521657834.db2.gz XFONWCBXLLKIBT-LLVKDONJSA-N 0 3 281.425 2.485 10 0 CEAEHN COCC[C@H](N)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000052792005 521945467 /nfs/dbraw/zinc/94/54/67/521945467.db2.gz HRIAFONVFXNPLV-CJNGLKHVSA-N 0 3 292.423 2.426 10 0 CEAEHN COCC[C@H](N)c1nc(-c2ccc(F)c(F)c2)c[nH]1 ZINC000052811251 521952190 /nfs/dbraw/zinc/95/21/90/521952190.db2.gz KUHPJGICQHKWIH-NSHDSACASA-N 0 3 267.279 2.391 10 0 CEAEHN CNCc1c(C)nn(C)c1N1CCC[C@H](C)[C@@H]1C ZINC000050566043 522100587 /nfs/dbraw/zinc/10/05/87/522100587.db2.gz JURXGOIPVMLGJH-JQWIXIFHSA-N 0 3 250.390 2.073 10 0 CEAEHN CNCc1c(C)nn(-c2ccccc2)c1-n1ccc(C)n1 ZINC000052884784 522101477 /nfs/dbraw/zinc/10/14/77/522101477.db2.gz IJHHYRYUEMLNII-UHFFFAOYSA-N 0 3 281.363 2.394 10 0 CEAEHN CNCc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000052420412 522150910 /nfs/dbraw/zinc/15/09/10/522150910.db2.gz FNUWKYHNQVHJJY-QWRGUYRKSA-N 0 3 253.415 2.340 10 0 CEAEHN CN(C)c1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000061611559 522230517 /nfs/dbraw/zinc/23/05/17/522230517.db2.gz LMFFVICHKVSQCQ-INIZCTEOSA-N 0 3 283.375 2.434 10 0 CEAEHN CC[C@@H](C)N[C@]1(C(N)=O)CCCc2sccc21 ZINC000061329942 522234478 /nfs/dbraw/zinc/23/44/78/522234478.db2.gz ODGDOADINUSIFM-NOZJJQNGSA-N 0 3 252.383 2.153 10 0 CEAEHN CC[C@@H](C)Oc1cccc(NC(=O)[C@H](N)CCOC)c1 ZINC000052810464 522271213 /nfs/dbraw/zinc/27/12/13/522271213.db2.gz MGXSEVWGJJSAEK-BXUZGUMPSA-N 0 3 280.368 2.166 10 0 CEAEHN CN(C)c1ccccc1NC(=O)[C@H](CN)c1ccccc1 ZINC000061611776 522297322 /nfs/dbraw/zinc/29/73/22/522297322.db2.gz MICNJRQBDBVMGE-CQSZACIVSA-N 0 3 283.375 2.434 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1ccc(F)cc1F)C(F)(F)F ZINC000062784611 522345723 /nfs/dbraw/zinc/34/57/23/522345723.db2.gz JUYQBSSLNYTEQL-VHSXEESVSA-N 0 3 269.213 2.452 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1ncon1 ZINC000062746222 522331692 /nfs/dbraw/zinc/33/16/92/522331692.db2.gz JVQHRGYGHHEWJK-QMMMGPOBSA-N 0 3 251.261 2.068 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1cc(F)ccc1F)C(F)(F)F ZINC000062784619 522341837 /nfs/dbraw/zinc/34/18/37/522341837.db2.gz XPKNWYGKCRXJBP-UWVGGRQHSA-N 0 3 269.213 2.452 10 0 CEAEHN CN[C@@H](COC1CCC1)c1ccc2c(c1)OCCO2 ZINC000050520071 522355098 /nfs/dbraw/zinc/35/50/98/522355098.db2.gz WYMJHCVLDBMELV-ZDUSSCGKSA-N 0 3 263.337 2.287 10 0 CEAEHN CN[C@@H]1COc2cc(OCc3nc(C(C)C)no3)ccc21 ZINC000062804028 522401254 /nfs/dbraw/zinc/40/12/54/522401254.db2.gz JBJJRXMXTBKCKD-GFCCVEGCSA-N 0 3 289.335 2.425 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1nnc(C)o1 ZINC000062746228 522446788 /nfs/dbraw/zinc/44/67/88/522446788.db2.gz RXYGDVJEZGXLQU-MRVPVSSYSA-N 0 3 265.288 2.377 10 0 CEAEHN CN[C@H](Cc1cc(F)cc(F)c1)c1ccnn1C ZINC000069467614 522473180 /nfs/dbraw/zinc/47/31/80/522473180.db2.gz VKKTXRMFHWVXKK-GFCCVEGCSA-N 0 3 251.280 2.202 10 0 CEAEHN CN[C@H](Cn1ccc(=O)cc1)c1cc(C)ccc1OC ZINC000061627804 522476186 /nfs/dbraw/zinc/47/61/86/522476186.db2.gz WJCVTQGIAPVGSY-OAHLLOKOSA-N 0 3 272.348 2.126 10 0 CEAEHN CN[C@H](Cn1ncccc1=O)c1cccc(C(F)(F)F)c1 ZINC000061402648 522477640 /nfs/dbraw/zinc/47/76/40/522477640.db2.gz FGZXEWKTNYPXSV-GFCCVEGCSA-N 0 3 297.280 2.223 10 0 CEAEHN CN[C@H]1CC(C)(C)Oc2cc(OCCC(=O)OC)ccc21 ZINC000069317353 522488864 /nfs/dbraw/zinc/48/88/64/522488864.db2.gz LCMOOFGDUAEVJY-ZDUSSCGKSA-N 0 3 293.363 2.450 10 0 CEAEHN COc1cc(CN[C@H]2C[C@@H]2C)cc(OC)c1OC ZINC000052269321 522489404 /nfs/dbraw/zinc/48/94/04/522489404.db2.gz XFPVHDBEATUEKC-ONGXEEELSA-N 0 3 251.326 2.210 10 0 CEAEHN CN(CC(N)=O)c1cccc(Cl)c1CNC(C)(C)C ZINC000062735624 522587965 /nfs/dbraw/zinc/58/79/65/522587965.db2.gz HBAPGRHYNNXPII-UHFFFAOYSA-N 0 3 283.803 2.150 10 0 CEAEHN CNc1ccc(C(=O)N[C@@H](C)CN2CCCC2)cc1C ZINC000063058016 522592826 /nfs/dbraw/zinc/59/28/26/522592826.db2.gz FCLVQEDRWKGFDI-ZDUSSCGKSA-N 0 3 275.396 2.251 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1cc(F)ccc1F)C(F)(F)F ZINC000062784622 522656097 /nfs/dbraw/zinc/65/60/97/522656097.db2.gz XPKNWYGKCRXJBP-NXEZZACHSA-N 0 3 269.213 2.452 10 0 CEAEHN CNc1nc2ccccc2cc1CN1CCC[C@@H]1CO ZINC000050816580 522690694 /nfs/dbraw/zinc/69/06/94/522690694.db2.gz LSFDAOWHHHIDJG-CQSZACIVSA-N 0 3 271.364 2.233 10 0 CEAEHN COc1cc(OC)c([C@@H](N)C2CCOCC2)c(OC)c1 ZINC000061671385 522829928 /nfs/dbraw/zinc/82/99/28/522829928.db2.gz RIAWIPXKMJUDQW-HNNXBMFYSA-N 0 3 281.352 2.139 10 0 CEAEHN COc1cc(OC)cc([C@H](O)[C@@H](N)c2ccccc2)c1 ZINC000054681822 522884219 /nfs/dbraw/zinc/88/42/19/522884219.db2.gz AVBZXLDRMBRELQ-HOTGVXAUSA-N 0 3 273.332 2.437 10 0 CEAEHN CCn1c(=O)[n-]nc1Sc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000061595857 523096917 /nfs/dbraw/zinc/09/69/17/523096917.db2.gz FTMAAHHMZBCOLH-SECBINFHSA-N 0 3 278.381 2.023 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2cc3ccccc3o2)CCN1C ZINC000068812061 523467317 /nfs/dbraw/zinc/46/73/17/523467317.db2.gz UGVDLAULGDDLHI-CABCVRRESA-N 0 3 287.407 2.459 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1cccc2cccnc21 ZINC000069502530 523501127 /nfs/dbraw/zinc/50/11/27/523501127.db2.gz HMULLCBSNMREDZ-ZBFHGGJFSA-N 0 3 285.391 2.345 10 0 CEAEHN CC[C@@H]1COCCN1c1nc(C2CC2)c(CNC)s1 ZINC000069179961 523503253 /nfs/dbraw/zinc/50/32/53/523503253.db2.gz UEEOMQKDQWSKNB-LLVKDONJSA-N 0 3 281.425 2.355 10 0 CEAEHN COCCN(C)CCn1c(C)cc2c1CC(C)(C)C[C@H]2O ZINC000061380780 523615354 /nfs/dbraw/zinc/61/53/54/523615354.db2.gz RRCIQRPFOKQOQL-MRXNPFEDSA-N 0 3 294.439 2.381 10 0 CEAEHN COCCN(C)CCn1c2ccc(N)cc2nc1C1CC1 ZINC000061380863 523618770 /nfs/dbraw/zinc/61/87/70/523618770.db2.gz YTQIZQUDQWLWHC-UHFFFAOYSA-N 0 3 288.395 2.074 10 0 CEAEHN COc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c([O-])c1 ZINC000049560324 523734963 /nfs/dbraw/zinc/73/49/63/523734963.db2.gz JBIDXALKXYFEGP-GFCCVEGCSA-N 0 3 294.395 2.107 10 0 CEAEHN COCCN([C@@H](CN)c1ccc(F)c(C)c1)[C@@H](C)COC ZINC000050558491 523780995 /nfs/dbraw/zinc/78/09/95/523780995.db2.gz BQKPYEDMZSZYRZ-BBRMVZONSA-N 0 3 298.402 2.117 10 0 CEAEHN CN1CCCC[C@H]1CCNc1ccc(S(C)(=O)=O)cc1 ZINC000052205295 523797426 /nfs/dbraw/zinc/79/74/26/523797426.db2.gz PNJGMVSLVUAVAS-AWEZNQCLSA-N 0 3 296.436 2.376 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@@H](O)c2ccc(OC)cc2)CC1 ZINC000055069705 523954178 /nfs/dbraw/zinc/95/41/78/523954178.db2.gz XXZAHGYWPOZDTA-WMLDXEAASA-N 0 3 292.423 2.145 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@H]2CCCCC2=O)CC1 ZINC000055071476 523955692 /nfs/dbraw/zinc/95/56/92/523955692.db2.gz DTQVAQVTBWVQGF-UONOGXRCSA-N 0 3 252.402 2.162 10 0 CEAEHN COc1ccc(CCNc2nccn2C)cc1OC ZINC000050605613 523979685 /nfs/dbraw/zinc/97/96/85/523979685.db2.gz IVUQCXUGTARKON-UHFFFAOYSA-N 0 3 261.325 2.092 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccccc1[C@@H](C)O ZINC000049547469 524003317 /nfs/dbraw/zinc/00/33/17/524003317.db2.gz ISLBMGQMFUFLGA-WDEREUQCSA-N 0 3 250.342 2.067 10 0 CEAEHN COC(=O)[C@](CN(C)CCC(C)C)(NC(C)C)C1CC1 ZINC000069183753 524003498 /nfs/dbraw/zinc/00/34/98/524003498.db2.gz TYJTUYJGYDRNRP-MRXNPFEDSA-N 0 3 284.444 2.284 10 0 CEAEHN CN1c2ccc([C@@H](N)[C@H]3CCCCO3)cc2CCC1=O ZINC000062806390 524032996 /nfs/dbraw/zinc/03/29/96/524032996.db2.gz CGOYSVUSKPCIML-GDBMZVCRSA-N 0 3 274.364 2.165 10 0 CEAEHN COc1ccc(CNC(C)(C)C)c(OC[C@@H](C)O)c1 ZINC000062733117 524068918 /nfs/dbraw/zinc/06/89/18/524068918.db2.gz CVRIWPKXOHYINT-LLVKDONJSA-N 0 3 267.369 2.343 10 0 CEAEHN COc1ccc(C[C@@H](N)c2cncc(F)c2)cc1OC ZINC000049576456 524140463 /nfs/dbraw/zinc/14/04/63/524140463.db2.gz HBPHSBPTYRKVSM-CYBMUJFWSA-N 0 3 276.311 2.480 10 0 CEAEHN Cc1cc(C)c(-n2nnnc2CNCC(C)C)c(C)c1 ZINC000054744221 524212121 /nfs/dbraw/zinc/21/21/21/524212121.db2.gz NLLPXQKNQXVSID-UHFFFAOYSA-N 0 3 273.384 2.333 10 0 CEAEHN C[C@@H]1CCCN(Cc2cccnc2C(N)=S)[C@@H]1C ZINC000061663654 524235925 /nfs/dbraw/zinc/23/59/25/524235925.db2.gz NFOKQYKXFBZESY-GHMZBOCLSA-N 0 3 263.410 2.336 10 0 CEAEHN COc1ccccc1-n1ncc(CNC2CC2)c1C ZINC000062605848 524307378 /nfs/dbraw/zinc/30/73/78/524307378.db2.gz OWZAUCMPHXXLTQ-UHFFFAOYSA-N 0 3 257.337 2.441 10 0 CEAEHN Cc1cc(C)c([C@@H](N)Cn2nc(C)ccc2=O)c(C)c1 ZINC000061810468 524331264 /nfs/dbraw/zinc/33/12/64/524331264.db2.gz LQYADDOORSABEL-AWEZNQCLSA-N 0 3 271.364 2.177 10 0 CEAEHN C[C@H](CN1CCCCC1)Nc1ccc(C(N)=S)cn1 ZINC000049502469 524334914 /nfs/dbraw/zinc/33/49/14/524334914.db2.gz AYECQNODVHOWPT-LLVKDONJSA-N 0 3 278.425 2.002 10 0 CEAEHN Cc1cccc(CCC(=O)N2[C@H](C)CNC[C@@H]2C)c1 ZINC000069132633 524348766 /nfs/dbraw/zinc/34/87/66/524348766.db2.gz XNKGBMLQHGAARS-OKILXGFUSA-N 0 3 260.381 2.136 10 0 CEAEHN Cc1cc(C)cc(OC[C@@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069197376 524452271 /nfs/dbraw/zinc/45/22/71/524452271.db2.gz JUSZIOAQQJWQNN-KRWDZBQOSA-N 0 3 290.407 2.314 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2CCC[C@H](C)N2)cc1C ZINC000049532364 524595276 /nfs/dbraw/zinc/59/52/76/524595276.db2.gz RUSFGFORVYECAM-AAEUAGOBSA-N 0 3 262.353 2.473 10 0 CEAEHN C[C@H](C[C@@](C)(N)C(N)=O)Oc1ccccc1C(F)(F)F ZINC000068654752 524630726 /nfs/dbraw/zinc/63/07/26/524630726.db2.gz SXWJNCMXLVEJDF-PRHODGIISA-N 0 3 290.285 2.066 10 0 CEAEHN C[C@H]1CN([C@@H]2CNCc3ccccc32)CC(C)(C)O1 ZINC000069266800 524664271 /nfs/dbraw/zinc/66/42/71/524664271.db2.gz FRWSCWWQTGZOBX-SWLSCSKDSA-N 0 3 260.381 2.330 10 0 CEAEHN C[C@H]1CN(c2ncc(CNC3CC3)s2)C[C@H](C)O1 ZINC000054900508 524677742 /nfs/dbraw/zinc/67/77/42/524677742.db2.gz QJKXBZGFONKDDL-UWVGGRQHSA-N 0 3 267.398 2.009 10 0 CEAEHN Cc1cc(CNC(C)(C)C)nc(C[C@H]2CCCO2)n1 ZINC000054832189 524750229 /nfs/dbraw/zinc/75/02/29/524750229.db2.gz ZYVHJWYQMOHRJX-CYBMUJFWSA-N 0 3 263.385 2.395 10 0 CEAEHN COc1ccccc1[C@H](O)CN1CCN(CC(C)C)CC1 ZINC000055081004 524799944 /nfs/dbraw/zinc/79/99/44/524799944.db2.gz PFWUDGKMMKYMIZ-MRXNPFEDSA-N 0 3 292.423 2.002 10 0 CEAEHN Cc1ccc(F)c([N-]S(=O)(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000049630956 524826678 /nfs/dbraw/zinc/82/66/78/524826678.db2.gz RKDXTJQYOJSPMC-NSHDSACASA-N 0 3 286.372 2.018 10 0 CEAEHN Cc1cc(C[C@@H](CN)C(=O)NC(C)(C)C)ccc1F ZINC000050544417 524829652 /nfs/dbraw/zinc/82/96/52/524829652.db2.gz SBWHBPYTIJSVAI-LBPRGKRZSA-N 0 3 266.360 2.166 10 0 CEAEHN COc1nc(N(C)C)sc1CNC[C@H](C)CSC ZINC000069436338 524975775 /nfs/dbraw/zinc/97/57/75/524975775.db2.gz XLCAFSPNBDLSMR-VIFPVBQESA-N 0 3 289.470 2.306 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccco1)N(CCO)Cc1ccccc1 ZINC000050513977 525006205 /nfs/dbraw/zinc/00/62/05/525006205.db2.gz WIWKQKZSTYZAHT-CJNGLKHVSA-N 0 3 274.364 2.162 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccccn1)N1Cc2ccccc2C1 ZINC000050910291 525007521 /nfs/dbraw/zinc/00/75/21/525007521.db2.gz HMVOAVQGGVPJQI-WBMJQRKESA-N 0 3 253.349 2.486 10 0 CEAEHN C[C@@H](N)c1cc(F)ccc1N(C)Cc1nccn1C ZINC000062252990 525024326 /nfs/dbraw/zinc/02/43/26/525024326.db2.gz KIQDNIMTMDEHCM-SNVBAGLBSA-N 0 3 262.332 2.215 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cc3ccccc3o2)CCN1C ZINC000068812047 525055207 /nfs/dbraw/zinc/05/52/07/525055207.db2.gz RORHBMBAIXLTLA-OCCSQVGLSA-N 0 3 273.380 2.069 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Cc1ccc(Cl)cc1 ZINC000069132842 525095031 /nfs/dbraw/zinc/09/50/31/525095031.db2.gz SDNGVDFHGLJAJP-GHMZBOCLSA-N 0 3 266.772 2.091 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cccc2ncccc21 ZINC000069133128 525097901 /nfs/dbraw/zinc/09/79/01/525097901.db2.gz ORPQJPOIRKWKEV-VXGBXAGGSA-N 0 3 269.348 2.057 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc2ccccc2n1 ZINC000069133404 525101710 /nfs/dbraw/zinc/10/17/10/525101710.db2.gz MPSNMOURJAVUMN-TXEJJXNPSA-N 0 3 269.348 2.057 10 0 CEAEHN Cc1ccc(NC(=O)[C@@H]2NCCC[C@@H]2C)c(F)c1 ZINC000051792372 525207938 /nfs/dbraw/zinc/20/79/38/525207938.db2.gz GDTTYKODLLKKDJ-GXFFZTMASA-N 0 3 250.317 2.461 10 0 CEAEHN COc1ccc([C@@H](O)[C@@H](N)c2ccccc2)c(OC)c1 ZINC000054682437 525209415 /nfs/dbraw/zinc/20/94/15/525209415.db2.gz ISMDOTMBGOSBDD-JKSUJKDBSA-N 0 3 273.332 2.437 10 0 CEAEHN Cc1ccc(NS(=O)(=O)[C@H]2CCCNC2)cc1Cl ZINC000049632389 525295956 /nfs/dbraw/zinc/29/59/56/525295956.db2.gz ZAAPQQZZDXSASQ-NSHDSACASA-N 0 3 288.800 2.142 10 0 CEAEHN Cc1ccc([O-])c(C(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000052898745 525334414 /nfs/dbraw/zinc/33/44/14/525334414.db2.gz DEUAAWNKGSKZTB-UHFFFAOYSA-N 0 3 284.359 2.132 10 0 CEAEHN COc1ccc([C@H](CN)N2CCOC(C)(C)C2)cc1C ZINC000050596692 525351851 /nfs/dbraw/zinc/35/18/51/525351851.db2.gz FQPCZIZGUHGISN-AWEZNQCLSA-N 0 3 278.396 2.114 10 0 CEAEHN Cc1ccc(OC[C@](NC2CC2)(C(N)=O)C2CC2)c(C)c1 ZINC000069196986 525442935 /nfs/dbraw/zinc/44/29/35/525442935.db2.gz LJENBJNRKLTVOK-QGZVFWFLSA-N 0 3 288.391 2.068 10 0 CEAEHN C[C@H](NS(=O)(=O)C[C@@H]1CCCCN1)C1CCCCC1 ZINC000052344021 525500666 /nfs/dbraw/zinc/50/06/66/525500666.db2.gz OQCRSHTYZFBINU-JSGCOSHPSA-N 0 3 288.457 2.017 10 0 CEAEHN COc1ccc2c(c1)[C@@H](NCCSC)CCO2 ZINC000069429840 525574026 /nfs/dbraw/zinc/57/40/26/525574026.db2.gz ALONJFZOPKJWTN-LBPRGKRZSA-N 0 3 253.367 2.471 10 0 CEAEHN CSC[C@H](C)CNC(=O)C[C@H](N)c1ccccc1 ZINC000069448776 525676454 /nfs/dbraw/zinc/67/64/54/525676454.db2.gz TWBNIBLCFPYQPF-YPMHNXCESA-N 0 3 266.410 2.192 10 0 CEAEHN CSC[C@H](C)CNCC(=O)Nc1ccccc1 ZINC000069447849 525681180 /nfs/dbraw/zinc/68/11/80/525681180.db2.gz VAGTVISTIGQBQO-LLVKDONJSA-N 0 3 252.383 2.214 10 0 CEAEHN C[C@@]1(N[C@@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000061326116 525875684 /nfs/dbraw/zinc/87/56/84/525875684.db2.gz PIVHIYDMNQPYEB-DGCLKSJQSA-N 0 3 285.434 2.292 10 0 CEAEHN COc1cccc(N(C)C(=O)[C@@H]2CCC[C@H](C)N2)c1 ZINC000049973051 526130276 /nfs/dbraw/zinc/13/02/76/526130276.db2.gz YYZUTAZUYGLYOV-FZMZJTMJSA-N 0 3 262.353 2.189 10 0 CEAEHN Cc1nn(Cc2cccnc2CN)c(C)c1Br ZINC000061657128 526298570 /nfs/dbraw/zinc/29/85/70/526298570.db2.gz BDFIEHHCOKTGFX-UHFFFAOYSA-N 0 3 295.184 2.164 10 0 CEAEHN Cc1csc(SCC[C@@](C)(NC(C)C)C(N)=O)n1 ZINC000045587638 526397913 /nfs/dbraw/zinc/39/79/13/526397913.db2.gz CFGNFHFFKPFSAA-GFCCVEGCSA-N 0 3 287.454 2.176 10 0 CEAEHN Cc1oc(CN(C)Cc2cscn2)cc1CN ZINC000052503788 526769868 /nfs/dbraw/zinc/76/98/68/526769868.db2.gz URHSOHCKKZKWRL-UHFFFAOYSA-N 0 3 251.355 2.135 10 0 CEAEHN Cc1nc(N2CCOC(C)(C)C2)sc1CNC1CC1 ZINC000054997844 526970822 /nfs/dbraw/zinc/97/08/22/526970822.db2.gz KCMPDDJCGKRPPU-UHFFFAOYSA-N 0 3 281.425 2.319 10 0 CEAEHN NC(=O)[C@@](CSC1CCCCC1)(NC1CC1)C1CC1 ZINC000069188464 526989778 /nfs/dbraw/zinc/98/97/78/526989778.db2.gz UZLUKCIMFASDOC-HNNXBMFYSA-N 0 3 282.453 2.438 10 0 CEAEHN NC(=O)c1ccc(F)c(CNCCc2ccsc2)c1 ZINC000049181561 527053524 /nfs/dbraw/zinc/05/35/24/527053524.db2.gz IEINRDMDTXJZPU-UHFFFAOYSA-N 0 3 278.352 2.318 10 0 CEAEHN O=C1NCCCC[C@@H]1N[C@H](c1cccs1)C1CC1 ZINC000051100094 527060873 /nfs/dbraw/zinc/06/08/73/527060873.db2.gz YWHLUDSOYRCEPK-AAEUAGOBSA-N 0 3 264.394 2.458 10 0 CEAEHN NC(=S)c1ccc(F)cc1CN1CCC[C@@H]1CCCO ZINC000069403173 527118761 /nfs/dbraw/zinc/11/87/61/527118761.db2.gz YIDRVRCYINAROX-CYBMUJFWSA-N 0 3 296.411 2.197 10 0 CEAEHN Cn1cc(C[C@@H](N)c2ccc(Cl)cc2F)cn1 ZINC000062785824 527228845 /nfs/dbraw/zinc/22/88/45/527228845.db2.gz YDVJMWQKDDBHLS-GFCCVEGCSA-N 0 3 253.708 2.455 10 0 CEAEHN NC[C@H](c1ccc(F)cc1)N(CCO)Cc1ccccc1 ZINC000050514070 527230496 /nfs/dbraw/zinc/23/04/96/527230496.db2.gz IQGULOZMAOBQKF-QGZVFWFLSA-N 0 3 288.366 2.320 10 0 CEAEHN NCc1cc(Br)ccc1OCc1ncccn1 ZINC000054458276 527244682 /nfs/dbraw/zinc/24/46/82/527244682.db2.gz BZSFDBGLJJOKRI-UHFFFAOYSA-N 0 3 294.152 2.277 10 0 CEAEHN NCc1ccc(Cl)cc1Sc1nnnn1C1CC1 ZINC000062787251 527254412 /nfs/dbraw/zinc/25/44/12/527254412.db2.gz MALOFCABBCWOEY-UHFFFAOYSA-N 0 3 281.772 2.271 10 0 CEAEHN NCc1ccccc1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405581 527260782 /nfs/dbraw/zinc/26/07/82/527260782.db2.gz ZDKHLTZEMRVJEL-ZDUSSCGKSA-N 0 3 262.353 2.433 10 0 CEAEHN NCc1ccoc1CN1CCN(Cc2ccccc2)CC1 ZINC000052417115 527262762 /nfs/dbraw/zinc/26/27/62/527262762.db2.gz OJRRALZEMUTIAK-UHFFFAOYSA-N 0 3 285.391 2.056 10 0 CEAEHN NCc1ncccc1COc1ccc(F)cc1F ZINC000061657187 527265971 /nfs/dbraw/zinc/26/59/71/527265971.db2.gz XHDLBLIJLDXSLS-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN NN=c1ccc(-c2ccc(F)c(Br)c2)n[nH]1 ZINC000061690650 527275307 /nfs/dbraw/zinc/27/53/07/527275307.db2.gz QAQMNBVTBINOTL-UHFFFAOYSA-N 0 3 283.104 2.331 10 0 CEAEHN NNc1ccc(Cl)c(Cn2ccc(C(F)(F)F)n2)n1 ZINC000061639196 527280615 /nfs/dbraw/zinc/28/06/15/527280615.db2.gz WQEFPWGLODAYOK-UHFFFAOYSA-N 0 3 291.664 2.284 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000069136519 527301152 /nfs/dbraw/zinc/30/11/52/527301152.db2.gz YBVNRCGBANIQRR-GMTAPVOTSA-N 0 3 299.358 2.274 10 0 CEAEHN O=S1(=O)CC[C@H](NC2CCC2)c2ccccc21 ZINC000052208171 527311816 /nfs/dbraw/zinc/31/18/16/527311816.db2.gz DDYPBGSEIBZXEI-LBPRGKRZSA-N 0 3 251.351 2.047 10 0 CEAEHN Nc1ccncc1[C@@H](O)Cc1cc(F)cc(F)c1 ZINC000070320097 527535215 /nfs/dbraw/zinc/53/52/15/527535215.db2.gz WFIBQLPBHYNLBZ-ZDUSSCGKSA-N 0 3 250.248 2.218 10 0 CEAEHN OC[C@H]1CCCN1c1ccc(F)cc1CNC1CC1 ZINC000048860871 527616496 /nfs/dbraw/zinc/61/64/96/527616496.db2.gz JVBFZMMORWNZKK-CQSZACIVSA-N 0 3 264.344 2.039 10 0 CEAEHN OCc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000061702241 527635275 /nfs/dbraw/zinc/63/52/75/527635275.db2.gz URYUFLKOXJLLDY-MRXNPFEDSA-N 0 3 284.359 2.227 10 0 CEAEHN Cc1nn(C)c(N2CCCO[C@@H](C)C2)c1CNC(C)(C)C ZINC000062738342 527675551 /nfs/dbraw/zinc/67/55/51/527675551.db2.gz YRYDIIKZXHYNCR-LBPRGKRZSA-N 0 3 294.443 2.232 10 0 CEAEHN CC(C)CC(C)(C)CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000175915755 527677870 /nfs/dbraw/zinc/67/78/70/527677870.db2.gz VLGBNCQJWPZMGL-CYBMUJFWSA-N 0 3 269.433 2.404 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000174075662 529229775 /nfs/dbraw/zinc/22/97/75/529229775.db2.gz QNZINMGXKISEAV-DOTOQJQBSA-N 0 3 276.424 2.445 10 0 CEAEHN COC[C@H](N[C@@H]1CC(=O)N(C)c2ccccc21)C(C)C ZINC000086682931 536879184 /nfs/dbraw/zinc/87/91/84/536879184.db2.gz AKOIRLOXIPVKPY-KGLIPLIRSA-N 0 3 276.380 2.355 10 0 CEAEHN COc1cccc(N2CCN(CC(C)(C)[C@@H](C)O)CC2)c1 ZINC000091405737 537123362 /nfs/dbraw/zinc/12/33/62/537123362.db2.gz OXPFGSOEKIELRE-CQSZACIVSA-N 0 3 292.423 2.224 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1sccc1Cl ZINC000309781302 538741890 /nfs/dbraw/zinc/74/18/90/538741890.db2.gz MYVQPZZHMFEAJX-CBAPKCEASA-N 0 3 258.774 2.158 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1CCOCC1CC1 ZINC000227599984 538763072 /nfs/dbraw/zinc/76/30/72/538763072.db2.gz XLMHFORZPCKFBB-JKSUJKDBSA-N 0 3 266.429 2.362 10 0 CEAEHN CC1(C)CN[C@]2(CCCSC2)O[C@]12CCOC2 ZINC000757144975 574510244 /nfs/dbraw/zinc/51/02/44/574510244.db2.gz NZRDIZLSLLWUAT-QWHCGFSZSA-N 0 3 257.399 2.015 10 0 CEAEHN C[C@H](O)CCN(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757132529 622801727 /nfs/dbraw/zinc/80/17/27/622801727.db2.gz BJHFXQJZXXAAFT-NSHDSACASA-N 0 3 295.383 2.053 10 0 CEAEHN N[C@@H](C(=O)NCC1CCCCCCC1)C1CCOCC1 ZINC000261868421 623504283 /nfs/dbraw/zinc/50/42/83/623504283.db2.gz SSYKOKPBVFBEFM-OAHLLOKOSA-N 0 3 282.428 2.217 10 0 CEAEHN CC(C)N1CCN(C[C@H](O)c2cc3ccccc3o2)CC1 ZINC000044132751 624455371 /nfs/dbraw/zinc/45/53/71/624455371.db2.gz ZQZXIFLWJZAXEW-HNNXBMFYSA-N 0 3 288.391 2.492 10 0 CEAEHN COC(=O)[C@@H]1CCCN(CCOc2ccc(C)cc2)C1 ZINC000066835575 628218469 /nfs/dbraw/zinc/21/84/69/628218469.db2.gz PSNSJBATSOGQKL-CQSZACIVSA-N 0 3 277.364 2.259 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@H](O)c1cc2ccccc2s1 ZINC000236876215 628680096 /nfs/dbraw/zinc/68/00/96/628680096.db2.gz KPIOWWZTVPFTJA-RYUDHWBXSA-N 0 3 292.404 2.178 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000236932497 629127395 /nfs/dbraw/zinc/12/73/95/629127395.db2.gz IEMSBPLBYRUMRX-NSHDSACASA-N 0 3 266.389 2.075 10 0 CEAEHN COCCNCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000232730895 640019226 /nfs/dbraw/zinc/01/92/26/640019226.db2.gz IVFAWDGNXJEASR-ZDUSSCGKSA-N 0 3 286.375 2.253 10 0 CEAEHN COC[C@@H](C)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000183190144 641717577 /nfs/dbraw/zinc/71/75/77/641717577.db2.gz JYVRPFZBCKLWEG-GDBMZVCRSA-N 0 3 291.391 2.477 10 0 CEAEHN Cc1cccc(S(=O)(=O)CCNC(C)(C)C)c1 ZINC000081986972 177913570 /nfs/dbraw/zinc/91/35/70/177913570.db2.gz CAZGWZQEYBHYOZ-UHFFFAOYSA-N 0 3 255.383 2.157 10 0 CEAEHN Cn1nc(CN)cc1-c1cc(Br)cs1 ZINC000082577212 178117982 /nfs/dbraw/zinc/11/79/82/178117982.db2.gz FTGRSBLWURXPQC-UHFFFAOYSA-N 0 3 272.171 2.370 10 0 CEAEHN C[C@H]1CC[C@H](C(=O)NCCCN(C)Cc2ccccc2)O1 ZINC000124641590 187146990 /nfs/dbraw/zinc/14/69/90/187146990.db2.gz DAQOGKMAZGBEKN-GOEBONIOSA-N 0 3 290.407 2.192 10 0 CEAEHN Cc1noc([C@@H]2C[C@@H]3CCN(C4CCCC4)C[C@H]3O2)n1 ZINC000096042978 185070606 /nfs/dbraw/zinc/07/06/06/185070606.db2.gz MPNWYLWRNUJSCJ-FPMFFAJLSA-N 0 3 277.368 2.473 10 0 CEAEHN O=C(c1cc2c(cc1Cl)OCCO2)[C@@H]1CCCN1 ZINC000082722143 178237232 /nfs/dbraw/zinc/23/72/32/178237232.db2.gz HNKFPVNZXORTNE-JTQLQIEISA-N 0 3 267.712 2.046 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)CC2(C)CCCCC2)CCO1 ZINC000124244132 365648297 /nfs/dbraw/zinc/64/82/97/365648297.db2.gz XSSXEEMKVSBEOH-AWEZNQCLSA-N 0 3 282.428 2.136 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)C[C@@H]2CCCCC2(C)C)CCO1 ZINC000152082323 282136831 /nfs/dbraw/zinc/13/68/31/282136831.db2.gz UKYUGDAKOOBILI-GJZGRUSLSA-N 0 3 296.455 2.382 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)C1 ZINC000175980550 282200251 /nfs/dbraw/zinc/20/02/51/282200251.db2.gz GCZOFRBUPJOCJB-QGPMSJSTSA-N 0 3 284.403 2.053 10 0 CEAEHN C[C@H](NC(=O)C(C)(C)N)c1ccccc1Br ZINC000040921429 362009341 /nfs/dbraw/zinc/00/93/41/362009341.db2.gz OXRGROPUZXZIMR-QMMMGPOBSA-N 0 3 285.185 2.364 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cc(C)sc2C)C1 ZINC000134617807 539282715 /nfs/dbraw/zinc/28/27/15/539282715.db2.gz OTZJVHSJDJZACB-AWEZNQCLSA-N 0 3 268.426 2.175 10 0 CEAEHN COCCCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1C ZINC000042337297 362083896 /nfs/dbraw/zinc/08/38/96/362083896.db2.gz ZZZIHGQWJMYVQG-KBPBESRZSA-N 0 3 278.396 2.187 10 0 CEAEHN CN(Cc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000046342795 362180739 /nfs/dbraw/zinc/18/07/39/362180739.db2.gz ZXPPRBJQTGUDIO-CQSZACIVSA-N 0 3 269.360 2.434 10 0 CEAEHN C[C@H](NCc1cnc2ccccc2n1)[C@H]1CCCO1 ZINC000037242473 343426683 /nfs/dbraw/zinc/42/66/83/343426683.db2.gz ROWDGWUBARXETF-XHDPSFHLSA-N 0 3 257.337 2.287 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCN(C)C2)o1 ZINC000108542606 344265813 /nfs/dbraw/zinc/26/58/13/344265813.db2.gz YZJWVBHWHQFCMJ-CHWSQXEVSA-N 0 3 279.384 2.290 10 0 CEAEHN CN(C[C@H](N)Cc1ccccc1)C(=O)OC(C)(C)C ZINC000116445642 344286873 /nfs/dbraw/zinc/28/68/73/344286873.db2.gz RJMUEHMBOAVHHB-CYBMUJFWSA-N 0 3 264.369 2.423 10 0 CEAEHN O=C(CN[C@H]1CCCC[C@H]1C(F)(F)F)NCC1CC1 ZINC000124513018 344314897 /nfs/dbraw/zinc/31/48/97/344314897.db2.gz QDSZOGYNGPFLND-MNOVXSKESA-N 0 3 278.318 2.223 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cccc(OC(C)C)c2)C1 ZINC000134435134 344374113 /nfs/dbraw/zinc/37/41/13/344374113.db2.gz DZKKOQFCTQWQJG-KRWDZBQOSA-N 0 3 292.423 2.284 10 0 CEAEHN CC(C)(C)NCc1cc(Br)cnc1N ZINC000166266711 344475869 /nfs/dbraw/zinc/47/58/69/344475869.db2.gz MDVNRKMOVBDFKA-UHFFFAOYSA-N 0 3 258.163 2.314 10 0 CEAEHN O=C(c1cscc1Br)[C@H]1CCCN1 ZINC000167658170 344479018 /nfs/dbraw/zinc/47/90/18/344479018.db2.gz QKGKYAVZLOMBEW-MRVPVSSYSA-N 0 3 260.156 2.445 10 0 CEAEHN CCN1CCN(c2cc(C)c3cc(N)ccc3n2)CC1 ZINC000168698680 344480912 /nfs/dbraw/zinc/48/09/12/344480912.db2.gz KCTWLQGNSLMOGU-UHFFFAOYSA-N 0 3 270.380 2.267 10 0 CEAEHN CC(C)(C)OC(=O)N=c1[nH]c2c(s1)CNCC2 ZINC000218201007 344536409 /nfs/dbraw/zinc/53/64/09/344536409.db2.gz RSWCVLWNHPQGTE-UHFFFAOYSA-N 0 3 255.343 2.136 10 0 CEAEHN N[C@H](CCO)c1cccc(Br)c1Cl ZINC000238676197 344607730 /nfs/dbraw/zinc/60/77/30/344607730.db2.gz VHUQVFBBIBCDER-MRVPVSSYSA-N 0 3 264.550 2.485 10 0 CEAEHN Cc1cccnc1CN(C)C[C@@H]1CCc2nccn2C1 ZINC000328623648 344756685 /nfs/dbraw/zinc/75/66/85/344756685.db2.gz CAMCKNROJIJVAB-AWEZNQCLSA-N 0 3 270.380 2.281 10 0 CEAEHN CCOC(=O)c1cnc(N(C)C[C@H]2CCCN2CC)s1 ZINC000383588259 344827276 /nfs/dbraw/zinc/82/72/76/344827276.db2.gz BUJMGEAWULWPSO-LLVKDONJSA-N 0 3 297.424 2.240 10 0 CEAEHN C[C@H](NC1CCN(CCO)CC1)c1cc(F)ccc1F ZINC000399247327 344858092 /nfs/dbraw/zinc/85/80/92/344858092.db2.gz KKQVMYZMQBXRBO-NSHDSACASA-N 0 3 284.350 2.072 10 0 CEAEHN CC(C)(C)c1csc(CN2CC[C@@H]3OCCN[C@@H]3C2)n1 ZINC000403985950 344877544 /nfs/dbraw/zinc/87/75/44/344877544.db2.gz CBNQILSRHSNGNC-NEPJUHHUSA-N 0 3 295.452 2.003 10 0 CEAEHN CN(C)C[C@H]1COc2ccccc2[C@@]1(O)c1ccccc1 ZINC000584626318 344968178 /nfs/dbraw/zinc/96/81/78/344968178.db2.gz SLCBSKKXXYOQMP-MAUKXSAKSA-N 0 3 283.371 2.493 10 0 CEAEHN NC(=O)[C@@H](N)CSC(c1ccccc1)c1ccccc1 ZINC000584645811 344972579 /nfs/dbraw/zinc/97/25/79/344972579.db2.gz HLZJRKODRNWSLX-AWEZNQCLSA-N 0 3 286.400 2.322 10 0 CEAEHN CN[C@H](Cc1cccc(OC)c1F)c1cc(C)nn1C ZINC000097415563 185599311 /nfs/dbraw/zinc/59/93/11/185599311.db2.gz WEBOCOXMYVRESJ-GFCCVEGCSA-N 0 3 277.343 2.379 10 0 CEAEHN CCN(CC)C(C)(C)[C@H](NN)c1cc(OC)cc(OC)c1 ZINC000097580958 185630260 /nfs/dbraw/zinc/63/02/60/185630260.db2.gz QPUHHFQDBLFIGP-OAHLLOKOSA-N 0 3 295.427 2.329 10 0 CEAEHN CN[C@](CO)(COC1CCCCC1)c1ccccc1 ZINC000085282681 179000423 /nfs/dbraw/zinc/00/04/23/179000423.db2.gz SKQUUUSMFDGQAK-MRXNPFEDSA-N 0 3 263.381 2.443 10 0 CEAEHN NC[C@@](O)(COc1ccccc1F)c1ccccc1 ZINC000085306907 179012850 /nfs/dbraw/zinc/01/28/50/179012850.db2.gz WBVLOXGEEVQFJO-OAHLLOKOSA-N 0 3 261.296 2.051 10 0 CEAEHN NCc1cnnn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000062238786 362714558 /nfs/dbraw/zinc/71/45/58/362714558.db2.gz IWENPHLEYYCJAM-UHFFFAOYSA-N 0 3 276.649 2.398 10 0 CEAEHN CCOCCN1C[C@@H](c2ccccc2)NC[C@@H]1CC ZINC000085505043 179084097 /nfs/dbraw/zinc/08/40/97/179084097.db2.gz UVHBXZQSMRICJF-HOTGVXAUSA-N 0 3 262.397 2.448 10 0 CEAEHN COCCN1C[C@@H](c2ccccc2)NC[C@@H]1C1CC1 ZINC000085507089 179084546 /nfs/dbraw/zinc/08/45/46/179084546.db2.gz ACMNNCICFZBNOV-JKSUJKDBSA-N 0 3 260.381 2.058 10 0 CEAEHN C[C@H]1CN[C@@](C)(c2ccccc2)CN1CC(F)F ZINC000085531602 179091775 /nfs/dbraw/zinc/09/17/75/179091775.db2.gz CHUHRFTYHJMDLN-SMDDNHRTSA-N 0 3 254.324 2.461 10 0 CEAEHN CC(C)Cc1nc2c(n1[C@@H]1CCN(C3CC3)C1)CCNC2 ZINC000085573008 179097889 /nfs/dbraw/zinc/09/78/89/179097889.db2.gz JDIUZGVKAHOBJJ-CQSZACIVSA-N 0 3 288.439 2.137 10 0 CEAEHN C[C@@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2ccccn21 ZINC000085632538 179108658 /nfs/dbraw/zinc/10/86/58/179108658.db2.gz JCOJKUOQHWRQAU-WVWOOGAGSA-N 0 3 286.379 2.193 10 0 CEAEHN C[C@@H](O)c1c(F)cccc1N1CCN(C)C(C)(C)C1 ZINC000104140023 136554232 /nfs/dbraw/zinc/55/42/32/136554232.db2.gz GJYXJVXKPKEOBB-LLVKDONJSA-N 0 3 266.360 2.409 10 0 CEAEHN c1cc(CN2CCC[C@@H](Cn3cncn3)C2)cs1 ZINC000128463416 187371879 /nfs/dbraw/zinc/37/18/79/187371879.db2.gz NJYGRMFEBMCREL-GFCCVEGCSA-N 0 3 262.382 2.252 10 0 CEAEHN CC(C)c1nn(C)cc1CNC[C@@H]1CCCC[C@@H]1O ZINC000085973475 179207215 /nfs/dbraw/zinc/20/72/15/179207215.db2.gz PFVRYLMFGRMVCC-JSGCOSHPSA-N 0 3 265.401 2.184 10 0 CEAEHN N[C@@H](c1csc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086020177 179217732 /nfs/dbraw/zinc/21/77/32/179217732.db2.gz RMAPDAHBOYUOLE-TVQRCGJNSA-N 0 3 281.402 2.336 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)[C@@H]1C ZINC000086074696 179225340 /nfs/dbraw/zinc/22/53/40/179225340.db2.gz QCYFXWLBCJDTRE-VHRBIJSZSA-N 0 3 296.436 2.167 10 0 CEAEHN CCCN[C@H](c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000086021554 179218598 /nfs/dbraw/zinc/21/85/98/179218598.db2.gz VWLBNJVBYAQPQS-JQWIXIFHSA-N 0 3 273.423 2.224 10 0 CEAEHN N[C@H](c1ccc(F)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086022855 179218694 /nfs/dbraw/zinc/21/86/94/179218694.db2.gz VAZQCLJEDNYBQB-BMIGLBTASA-N 0 3 293.363 2.413 10 0 CEAEHN C[C@]1(c2ccccc2)CN(CCc2ccncc2)CCN1 ZINC000086141968 179237150 /nfs/dbraw/zinc/23/71/50/179237150.db2.gz XLABHJKTECYTAS-GOSISDBHSA-N 0 3 281.403 2.445 10 0 CEAEHN CC(C)n1cc(N2CCN[C@H](Cc3ccccc3)C2)cn1 ZINC000086148294 179240004 /nfs/dbraw/zinc/24/00/04/179240004.db2.gz CZVJYERXVPHMBT-MRXNPFEDSA-N 0 3 284.407 2.485 10 0 CEAEHN Cc1ccc2ncc(CN3CC[C@@H](c4cnn(C)c4)C3)n2c1 ZINC000128555994 187377115 /nfs/dbraw/zinc/37/71/15/187377115.db2.gz AVLPQINLSHQMLB-CQSZACIVSA-N 0 3 295.390 2.366 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc2ccccc2n1 ZINC000086317435 179270446 /nfs/dbraw/zinc/27/04/46/179270446.db2.gz YWVVSAWSEIZGHV-GUYCJALGSA-N 0 3 281.359 2.388 10 0 CEAEHN C[C@H]1COCCN1[C@@H](CN)c1cc(Cl)cs1 ZINC000086333254 179273602 /nfs/dbraw/zinc/27/36/02/179273602.db2.gz AMYROOFMYOBRSJ-WPRPVWTQSA-N 0 3 260.790 2.122 10 0 CEAEHN C[C@@H]1COCCN1[C@@H](CN)c1cc(Cl)cs1 ZINC000086333252 179273871 /nfs/dbraw/zinc/27/38/71/179273871.db2.gz AMYROOFMYOBRSJ-SCZZXKLOSA-N 0 3 260.790 2.122 10 0 CEAEHN CC[C@H](C)N1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086443962 179293430 /nfs/dbraw/zinc/29/34/30/179293430.db2.gz OQCKUHCLQXLMBQ-NWDGAFQWSA-N 0 3 294.468 2.400 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1nc2c(s1)CCCC2=O ZINC000086441738 179293952 /nfs/dbraw/zinc/29/39/52/179293952.db2.gz DEODYMQYAAPCFQ-JTQLQIEISA-N 0 3 279.409 2.193 10 0 CEAEHN CC(C)N1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086442768 179294244 /nfs/dbraw/zinc/29/42/44/179294244.db2.gz LRDIOSBQBZJVSM-LLVKDONJSA-N 0 3 280.441 2.010 10 0 CEAEHN COCC1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086444257 179294460 /nfs/dbraw/zinc/29/44/60/179294460.db2.gz RGGPNELXWNMIAY-LLVKDONJSA-N 0 3 281.425 2.342 10 0 CEAEHN CN(CCN1CCCC1)c1nc2c(s1)CCC[C@H]2O ZINC000086444794 179294471 /nfs/dbraw/zinc/29/44/71/179294471.db2.gz CJGCFDPGVZBOGM-LLVKDONJSA-N 0 3 281.425 2.045 10 0 CEAEHN CN[C@H](Cc1ccc(Br)cc1)C(OC)OC ZINC000086452127 179296378 /nfs/dbraw/zinc/29/63/78/179296378.db2.gz HPKBTUOTAZHJBI-LLVKDONJSA-N 0 3 288.185 2.199 10 0 CEAEHN CN[C@H](Cc1cccc(Br)c1)C(OC)OC ZINC000086452125 179296597 /nfs/dbraw/zinc/29/65/97/179296597.db2.gz IDSIKMFNSYFIFJ-LLVKDONJSA-N 0 3 288.185 2.199 10 0 CEAEHN COC(OC)[C@H](N)Cc1cc(Br)ccc1F ZINC000086451877 179296655 /nfs/dbraw/zinc/29/66/55/179296655.db2.gz BXFHIBYSOPYRSX-SNVBAGLBSA-N 0 3 292.148 2.077 10 0 CEAEHN C[C@@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](C)CN1 ZINC000086468370 179300091 /nfs/dbraw/zinc/30/00/91/179300091.db2.gz MYMQQYLAMOWXRI-XALLYKQOSA-N 0 3 291.439 2.347 10 0 CEAEHN Cc1nc(SCc2cccnc2C(=N)N)nc(C)c1C ZINC000086643842 179315564 /nfs/dbraw/zinc/31/55/64/179315564.db2.gz VVSPXEHWTSTSPH-UHFFFAOYSA-N 0 3 287.392 2.373 10 0 CEAEHN O[C@H](c1ccc2c(c1)OCO2)[C@H]1NCc2ccccc21 ZINC000086667405 179316969 /nfs/dbraw/zinc/31/69/69/179316969.db2.gz HBKGXYPTAYURDX-JKSUJKDBSA-N 0 3 269.300 2.293 10 0 CEAEHN CCN1CCC[C@@H](Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000086835435 179349209 /nfs/dbraw/zinc/34/92/09/179349209.db2.gz BGKOGRZEINDRGP-CYBMUJFWSA-N 0 3 296.436 2.376 10 0 CEAEHN COC(=O)[C@@]1(Nc2ccccc2OC)CCCN(C)CC1 ZINC000086833305 179349612 /nfs/dbraw/zinc/34/96/12/179349612.db2.gz FOBHKJWZNHYTHV-MRXNPFEDSA-N 0 3 292.379 2.135 10 0 CEAEHN COC(=O)[C@]1(Nc2cccc(F)c2)CCCN(C)CC1 ZINC000086833314 179349627 /nfs/dbraw/zinc/34/96/27/179349627.db2.gz WNNRXJKKKKXJPN-HNNXBMFYSA-N 0 3 280.343 2.265 10 0 CEAEHN CCCN1CCC[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086868707 179361573 /nfs/dbraw/zinc/36/15/73/179361573.db2.gz QSHGGQUEAYTHSW-SHARSMKWSA-N 0 3 282.428 2.484 10 0 CEAEHN COc1ccc(C[C@@H](C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000128730854 187386885 /nfs/dbraw/zinc/38/68/85/187386885.db2.gz SYWPXINLTYAFQC-UKRRQHHQSA-N 0 3 290.407 2.036 10 0 CEAEHN CCN1CCC[C@](N)(c2nc(C)c(C)s2)CC1 ZINC000086851308 179359061 /nfs/dbraw/zinc/35/90/61/179359061.db2.gz MLBSZQZFPIDXRW-CYBMUJFWSA-N 0 3 253.415 2.420 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H]1NCc2ccccc21 ZINC000086981513 179372916 /nfs/dbraw/zinc/37/29/16/179372916.db2.gz ZCSVQCHFXQMRCO-ZDUSSCGKSA-N 0 3 253.367 2.046 10 0 CEAEHN NNc1nc(CCC(F)(F)F)nc2c1CCCC2 ZINC000086980862 179373136 /nfs/dbraw/zinc/37/31/36/179373136.db2.gz UBLBJTUWUNGWEF-UHFFFAOYSA-N 0 3 260.263 2.136 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1ccc(F)cc1F ZINC000086979528 179373373 /nfs/dbraw/zinc/37/33/73/179373373.db2.gz FWZJSVCTPKMWDF-LBPRGKRZSA-N 0 3 277.336 2.180 10 0 CEAEHN C1CN[C@@H](c2nc([C@H]3CSCCS3)no2)C1 ZINC000086981378 179373454 /nfs/dbraw/zinc/37/34/54/179373454.db2.gz OXYOHLROPKIGPG-HTQZYQBOSA-N 0 3 257.384 2.015 10 0 CEAEHN COc1ccc(C=C2CNC2)cc1Br ZINC000086882238 179365533 /nfs/dbraw/zinc/36/55/33/179365533.db2.gz DDQCAKMELIWZGM-UHFFFAOYSA-N 0 3 254.127 2.444 10 0 CEAEHN CCC[C@H]1CCC[C@H](N(C)CC(=O)N2CCNCC2)CC1 ZINC000086950251 179368974 /nfs/dbraw/zinc/36/89/74/179368974.db2.gz BFLKKPKPJOWUPT-HOTGVXAUSA-N 0 3 295.471 2.099 10 0 CEAEHN COC(=O)c1ccccc1CNCC1(O)CCCCC1 ZINC000087017911 179380419 /nfs/dbraw/zinc/38/04/19/179380419.db2.gz BHUUDXRPIGXGPK-UHFFFAOYSA-N 0 3 277.364 2.258 10 0 CEAEHN CCC(O)(CC)CNCC(=O)Nc1ccccc1Cl ZINC000087028456 179381931 /nfs/dbraw/zinc/38/19/31/179381931.db2.gz ZHAALHROGIIBPA-UHFFFAOYSA-N 0 3 284.787 2.419 10 0 CEAEHN COc1ccc([C@@H]2[C@@H](N)CCCC(=O)N2C2CC2)cc1F ZINC000086995332 179375964 /nfs/dbraw/zinc/37/59/64/179375964.db2.gz CSGKMUWLCQFFOW-XJKSGUPXSA-N 0 3 292.354 2.378 10 0 CEAEHN CCN1C(=O)CCC[C@H](N)[C@H]1c1ccc(OC)c(F)c1 ZINC000086995302 179376369 /nfs/dbraw/zinc/37/63/69/179376369.db2.gz JSXPTMZAGKEERH-SWLSCSKDSA-N 0 3 280.343 2.235 10 0 CEAEHN NCc1ccc(NC(=O)c2c(F)cc(F)cc2F)nc1 ZINC000086995739 179376737 /nfs/dbraw/zinc/37/67/37/179376737.db2.gz NIZBEQVCHQZLPR-UHFFFAOYSA-N 0 3 281.237 2.210 10 0 CEAEHN CC[C@]1(C)CNC[C@H](c2nc3ccccc3n2C)O1 ZINC000087006737 179378688 /nfs/dbraw/zinc/37/86/88/179378688.db2.gz JDDFFPVPCMYOEC-UKRRQHHQSA-N 0 3 259.353 2.403 10 0 CEAEHN C[C@@H](NCC1(O)CCCCC1)C(=O)N1CCCCCC1 ZINC000087029198 179382485 /nfs/dbraw/zinc/38/24/85/179382485.db2.gz VUZUNHIUCDCOFW-CQSZACIVSA-N 0 3 282.428 2.062 10 0 CEAEHN C[C@@H](Oc1c(Br)cccc1CN)[C@H](C)O ZINC000087125537 179395974 /nfs/dbraw/zinc/39/59/74/179395974.db2.gz IZFCOBCRLXHSMA-JGVFFNPUSA-N 0 3 274.158 2.056 10 0 CEAEHN COc1cc([C@H]2CCCN(C)C2)c(C)cc1NC=O ZINC000616220753 348462449 /nfs/dbraw/zinc/46/24/49/348462449.db2.gz YXDZVVYDZQNFHT-LBPRGKRZSA-N 0 3 262.353 2.381 10 0 CEAEHN OCCc1cccc([C@@H]2CNCCN2Cc2ccccc2)c1 ZINC000616635678 348542415 /nfs/dbraw/zinc/54/24/15/348542415.db2.gz KBOZGZWOKVQNGN-IBGZPJMESA-N 0 3 296.414 2.368 10 0 CEAEHN CCN1CCCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616653644 348549576 /nfs/dbraw/zinc/54/95/76/348549576.db2.gz RVQJOFFDVNRGOM-LBPRGKRZSA-N 0 3 272.389 2.012 10 0 CEAEHN CCN1CCOCC[C@H]1c1cccc2ccnnc21 ZINC000616655745 348549810 /nfs/dbraw/zinc/54/98/10/348549810.db2.gz ACPHQWALDJBQMV-AWEZNQCLSA-N 0 3 257.337 2.413 10 0 CEAEHN CCN(CC)Cc1ccc(OC)c(C(N)=S)c1 ZINC000087832359 179497203 /nfs/dbraw/zinc/49/72/03/179497203.db2.gz CLZDGFOTPOWAAS-UHFFFAOYSA-N 0 3 252.383 2.171 10 0 CEAEHN CC(C)(C)N1CCO[C@@H](c2cccc(C(N)=O)c2)CC1 ZINC000616594244 348528634 /nfs/dbraw/zinc/52/86/34/348528634.db2.gz DMDITSBSHFLCKW-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN CCN1CCCOC[C@H]1c1cnnc2ccccc21 ZINC000616597361 348528979 /nfs/dbraw/zinc/52/89/79/348528979.db2.gz PTFXALRYVPIVLI-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN Nc1cc([C@H]2COCCN(Cc3ccccc3)C2)ccn1 ZINC000616662298 348553670 /nfs/dbraw/zinc/55/36/70/348553670.db2.gz GYUPXWHZOMKPHY-MRXNPFEDSA-N 0 3 283.375 2.110 10 0 CEAEHN CCCn1ncnc1C[C@H](NC)c1ccccc1OC ZINC000088609859 179637353 /nfs/dbraw/zinc/63/73/53/179637353.db2.gz NYBRPRGOYBZGTH-ZDUSSCGKSA-N 0 3 274.368 2.200 10 0 CEAEHN CCCNS(=O)(=O)c1c(C)oc(C)c1CNC(C)C ZINC000088975923 179687979 /nfs/dbraw/zinc/68/79/79/179687979.db2.gz XTZQNHSUPPEBMH-UHFFFAOYSA-N 0 3 288.413 2.083 10 0 CEAEHN CNCc1cccc(S(=O)(=O)NC2(C)CCCC2)c1C ZINC000089049197 179693345 /nfs/dbraw/zinc/69/33/45/179693345.db2.gz SWKVHNQJVWAXGJ-UHFFFAOYSA-N 0 3 296.436 2.325 10 0 CEAEHN CCN[C@@H](Cc1cc(C)nn1C)c1ncccc1C ZINC000089193857 179749719 /nfs/dbraw/zinc/74/97/19/179749719.db2.gz BGYJTAGRJYUDJC-AWEZNQCLSA-N 0 3 258.369 2.325 10 0 CEAEHN CCn1c2ccc(Cl)cc2nc1[C@]1(C)COC[C@@H]1N ZINC000090571736 180007387 /nfs/dbraw/zinc/00/73/87/180007387.db2.gz UBJYXKGQMDAPKH-GXTWGEPZSA-N 0 3 279.771 2.325 10 0 CEAEHN C[C@]1(c2nc(-c3ccc(F)cc3Cl)no2)COC[C@@H]1N ZINC000090573777 180007585 /nfs/dbraw/zinc/00/75/85/180007585.db2.gz CJZBOBNWVROGDJ-GWCFXTLKSA-N 0 3 297.717 2.144 10 0 CEAEHN C[C@]1(c2nc(-c3ccccc3Cl)no2)COC[C@@H]1N ZINC000090573646 180007939 /nfs/dbraw/zinc/00/79/39/180007939.db2.gz LIBCORRZBFDYBP-GWCFXTLKSA-N 0 3 279.727 2.005 10 0 CEAEHN C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@]1(C)COC[C@@H]1N ZINC000090592130 180010654 /nfs/dbraw/zinc/01/06/54/180010654.db2.gz GBRNEJZUBNUBTB-DGFSRKRXSA-N 0 3 296.798 2.223 10 0 CEAEHN C[C@@H](OCC(=O)Nc1cccc(CN)c1)C(F)(F)F ZINC000090671967 180020814 /nfs/dbraw/zinc/02/08/14/180020814.db2.gz AVRUBKOZSVYAAC-MRVPVSSYSA-N 0 3 276.258 2.051 10 0 CEAEHN C[C@@H](OC[C@@H](N)c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000090672431 180021034 /nfs/dbraw/zinc/02/10/34/180021034.db2.gz PPDUFXGVSMPBBQ-PSASIEDQSA-N 0 3 291.269 2.425 10 0 CEAEHN CC(C)(C)NC(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090700916 180027797 /nfs/dbraw/zinc/02/77/97/180027797.db2.gz FCJKTGAILVCDLW-ZDUSSCGKSA-N 0 3 299.484 2.398 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)CC(C)(C)C ZINC000090699757 180028088 /nfs/dbraw/zinc/02/80/88/180028088.db2.gz XQQYRFXJQCXZMZ-GFCCVEGCSA-N 0 3 272.458 2.318 10 0 CEAEHN COc1ccccc1[C@H](C)NC[C@@H](C)[S@](C)=O ZINC000090841234 180043638 /nfs/dbraw/zinc/04/36/38/180043638.db2.gz AGOYSAYJRLLAPX-VGTOOOLASA-N 0 3 255.383 2.113 10 0 CEAEHN CCNCc1nccn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894378 180055802 /nfs/dbraw/zinc/05/58/02/180055802.db2.gz OBAOZNQGBBFDHH-CYBMUJFWSA-N 0 3 275.327 2.135 10 0 CEAEHN Fc1ccc2c(c1)C[C@H](Cn1nccc1CNC1CC1)O2 ZINC000090895615 180055950 /nfs/dbraw/zinc/05/59/50/180055950.db2.gz VFRRMDTXSFPFCE-OAHLLOKOSA-N 0 3 287.338 2.278 10 0 CEAEHN COc1ccc(CNC[C@@H]2Cc3cc(C)ccc3O2)cn1 ZINC000090897991 180056846 /nfs/dbraw/zinc/05/68/46/180056846.db2.gz PVBVYNZTVYQBDU-HNNXBMFYSA-N 0 3 284.359 2.492 10 0 CEAEHN CCCOc1cccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905814 180060949 /nfs/dbraw/zinc/06/09/49/180060949.db2.gz SXXMOGQTQXPYHP-IXDOHACOSA-N 0 3 290.407 2.338 10 0 CEAEHN CC(C)Oc1ccc([C@@H](N)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906042 180061320 /nfs/dbraw/zinc/06/13/20/180061320.db2.gz HOCCLIQJRUSRFL-BBWFWOEESA-N 0 3 290.407 2.337 10 0 CEAEHN CCCc1nc(N2C[C@H]3CC[C@@H](C2)O3)sc1CNC ZINC000090908186 180062243 /nfs/dbraw/zinc/06/22/43/180062243.db2.gz LWYYRPFFRQGMFS-PHIMTYICSA-N 0 3 281.425 2.183 10 0 CEAEHN C[C@@H](N)c1nc(CN2CCN(C(C)(C)C)CC2)cs1 ZINC000090958171 180074456 /nfs/dbraw/zinc/07/44/56/180074456.db2.gz GJGIUZBMXUFWMP-LLVKDONJSA-N 0 3 282.457 2.079 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H](C)Cn1cccn1 ZINC000090960108 180075655 /nfs/dbraw/zinc/07/56/55/180075655.db2.gz LCEMKRSSKLZXIY-SNVBAGLBSA-N 0 3 278.381 2.081 10 0 CEAEHN C[C@H](NC[C@H]1Cc2ccccc21)C(=O)NC(C)(C)C ZINC000090992343 180081258 /nfs/dbraw/zinc/08/12/58/180081258.db2.gz LQIRQALUXJLDOI-WCQYABFASA-N 0 3 260.381 2.219 10 0 CEAEHN CC(C)CNCc1nccn1Cc1cncn1C1CC1 ZINC000091002717 180083956 /nfs/dbraw/zinc/08/39/56/180083956.db2.gz BUNBRMRCTRZUOO-UHFFFAOYSA-N 0 3 273.384 2.208 10 0 CEAEHN CC(C)N1CCO[C@@H](Cn2cc(CO)c3ccccc32)C1 ZINC000091006559 180084558 /nfs/dbraw/zinc/08/45/58/180084558.db2.gz FOQMFYDPUXFMSQ-OAHLLOKOSA-N 0 3 288.391 2.243 10 0 CEAEHN Cn1ncc2c1CCC[C@@H]2NCc1c[nH]c2ncccc12 ZINC000091016652 180087172 /nfs/dbraw/zinc/08/71/72/180087172.db2.gz JABAJKUBIZZTNN-AWEZNQCLSA-N 0 3 281.363 2.464 10 0 CEAEHN Clc1cccc2[nH]c(C[C@H]3CSCCN3)nc21 ZINC000091128609 180100085 /nfs/dbraw/zinc/10/00/85/180100085.db2.gz ZKVVRMCRHBLCRS-QMMMGPOBSA-N 0 3 267.785 2.464 10 0 CEAEHN Fc1ccc2oc(C[C@H]3CSCCN3)nc2c1 ZINC000091129354 180101352 /nfs/dbraw/zinc/10/13/52/180101352.db2.gz MRRZNTQACDEIPP-VIFPVBQESA-N 0 3 252.314 2.214 10 0 CEAEHN CCc1c(CNCCOC)cnn1-c1ccc(F)cc1F ZINC000091335447 180136562 /nfs/dbraw/zinc/13/65/62/180136562.db2.gz DIGXCGSHHCSRDR-UHFFFAOYSA-N 0 3 295.333 2.449 10 0 CEAEHN Cc1ccc([C@H](NCC[S@@](C)=O)C2CC2)cc1 ZINC000091341694 180136900 /nfs/dbraw/zinc/13/69/00/180136900.db2.gz WYKWUIQGDMUYLK-YOEHRIQHSA-N 0 3 251.395 2.414 10 0 CEAEHN CN[C@@H](CS[C@H](C)CCO)c1ccc(OC)cc1 ZINC000091269032 180116816 /nfs/dbraw/zinc/11/68/16/180116816.db2.gz CNEHKTKBTJBRLA-RISCZKNCSA-N 0 3 269.410 2.460 10 0 CEAEHN CCNCc1c(S[C@H](C)CCO)nc2sccn12 ZINC000091268187 180116940 /nfs/dbraw/zinc/11/69/40/180116940.db2.gz SQYHKOFTSULJKU-SECBINFHSA-N 0 3 285.438 2.368 10 0 CEAEHN CN([C@H](CN)c1cncn1C1CC1)C1CCCCC1 ZINC000091276168 180118686 /nfs/dbraw/zinc/11/86/86/180118686.db2.gz MCUUKHQBMNOLEE-CQSZACIVSA-N 0 3 262.401 2.482 10 0 CEAEHN CCC[C@H](C)N(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276272 180120003 /nfs/dbraw/zinc/12/00/03/180120003.db2.gz WDYYZZBESAWSRE-AAEUAGOBSA-N 0 3 250.390 2.338 10 0 CEAEHN CCCn1cncc1-c1ncc2c(n1)CCC[C@@H]2NC ZINC000091278092 180121426 /nfs/dbraw/zinc/12/14/26/180121426.db2.gz KOGZXCCENVZLIO-LBPRGKRZSA-N 0 3 271.368 2.347 10 0 CEAEHN CCNc1c(F)cccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000091432437 180153677 /nfs/dbraw/zinc/15/36/77/180153677.db2.gz IOLDGVUPRHCMFL-GFCCVEGCSA-N 0 3 293.386 2.424 10 0 CEAEHN CN[C@H](C)c1c(F)cccc1N(C)CC1CC(O)C1 ZINC000091463978 180162094 /nfs/dbraw/zinc/16/20/94/180162094.db2.gz KXUKZEVAAJXIQL-VOMCLLRMSA-N 0 3 266.360 2.313 10 0 CEAEHN CN(Cc1cc(N)ccc1Cl)CC1CC(O)C1 ZINC000091463888 180162178 /nfs/dbraw/zinc/16/21/78/180162178.db2.gz QNCPRPBATZWXFJ-UHFFFAOYSA-N 0 3 254.761 2.125 10 0 CEAEHN CN(C)[C@@H]1CCCN(CC(=O)c2cc(F)ccc2F)C1 ZINC000091391576 180144954 /nfs/dbraw/zinc/14/49/54/180144954.db2.gz FOHCJCQATUNWQG-GFCCVEGCSA-N 0 3 282.334 2.174 10 0 CEAEHN CN(C)[C@H]1CCCN(CC(=O)c2cc(F)ccc2F)C1 ZINC000091391577 180145075 /nfs/dbraw/zinc/14/50/75/180145075.db2.gz FOHCJCQATUNWQG-LBPRGKRZSA-N 0 3 282.334 2.174 10 0 CEAEHN CCOC(=O)[C@@H]1C[C@@]12CCN(Cc1ccccc1)C2 ZINC000104853498 186028575 /nfs/dbraw/zinc/02/85/75/186028575.db2.gz FCWLRKKKNGDVQE-GOEBONIOSA-N 0 3 259.349 2.462 10 0 CEAEHN CN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)c(N)c2)C1 ZINC000091394650 180145985 /nfs/dbraw/zinc/14/59/85/180145985.db2.gz BIYMCJHQKREZQW-NSHDSACASA-N 0 3 281.787 2.088 10 0 CEAEHN CCNCc1cncc(N(C)c2cccc(F)c2)n1 ZINC000091420468 180150495 /nfs/dbraw/zinc/15/04/95/180150495.db2.gz DOLYWJZCNSYCSQ-UHFFFAOYSA-N 0 3 260.316 2.493 10 0 CEAEHN c1nn(-c2cncc(CNC3CC3)n2)c2ccccc12 ZINC000091422281 180151187 /nfs/dbraw/zinc/15/11/87/180151187.db2.gz TUGYUNHQHJJVAR-UHFFFAOYSA-N 0 3 265.320 2.068 10 0 CEAEHN COc1ccc(Cl)cc1CNCC1CC(O)C1 ZINC000091425727 180151915 /nfs/dbraw/zinc/15/19/15/180151915.db2.gz YFNNDZZWZIWSSN-UHFFFAOYSA-N 0 3 255.745 2.209 10 0 CEAEHN Cc1ccnc(N)c1[C@H](N)C(C)(C)N1CCCCC1 ZINC000091564377 180193368 /nfs/dbraw/zinc/19/33/68/180193368.db2.gz WEFNJBSMCNAHJA-ZDUSSCGKSA-N 0 3 262.401 2.237 10 0 CEAEHN CCn1nc(C)cc1CC(=O)[C@](C)(CC)N(C)C ZINC000091568850 180195033 /nfs/dbraw/zinc/19/50/33/180195033.db2.gz JKDROGZUWTURRY-AWEZNQCLSA-N 0 3 251.374 2.053 10 0 CEAEHN CCN[C@H](c1ccco1)C(C)(C)N1CCOCC1 ZINC000091566913 180195127 /nfs/dbraw/zinc/19/51/27/180195127.db2.gz LKXHSPUSRYRCBK-CYBMUJFWSA-N 0 3 252.358 2.041 10 0 CEAEHN CCN[C@@H](c1ccccc1OC)C(C)(C)N1CCOCC1 ZINC000091566806 180195136 /nfs/dbraw/zinc/19/51/36/180195136.db2.gz NRONQYLMUIIUMZ-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CC[C@@](C)([C@@H](NC)c1nccn1C)N1CCCCC1 ZINC000091609731 180205874 /nfs/dbraw/zinc/20/58/74/180205874.db2.gz YPDINPWNAJWOHS-ZFWWWQNUSA-N 0 3 264.417 2.335 10 0 CEAEHN CC[C@@](C)([C@@H](O)CC1CCCC1)N1CCOCC1 ZINC000091611215 180206337 /nfs/dbraw/zinc/20/63/37/180206337.db2.gz AKXASBBTILOFLN-GJZGRUSLSA-N 0 3 255.402 2.429 10 0 CEAEHN CC[C@](C)([C@H](O)Cc1cccc(C)c1)N1CCOCC1 ZINC000091611074 180206732 /nfs/dbraw/zinc/20/67/32/180206732.db2.gz MJSNKQSZYNNAOS-IAGOWNOFSA-N 0 3 277.408 2.399 10 0 CEAEHN CCN[C@@H](c1ccco1)[C@@](C)(CC)N1CCOCC1 ZINC000091612892 180207180 /nfs/dbraw/zinc/20/71/80/180207180.db2.gz KNMHUQWACNHULP-LSDHHAIUSA-N 0 3 266.385 2.431 10 0 CEAEHN CC(C)([C@H](N)c1cc(Cl)cnc1N)N1CCCC1 ZINC000091533671 180181505 /nfs/dbraw/zinc/18/15/05/180181505.db2.gz DUZHSDIKYAHOCW-LLVKDONJSA-N 0 3 268.792 2.191 10 0 CEAEHN CCn1nc(C)c(N)c1N[C@@H](C)CN1CCCCC1 ZINC000091554189 180189523 /nfs/dbraw/zinc/18/95/23/180189523.db2.gz OOFWQTWXUCVHJQ-NSHDSACASA-N 0 3 265.405 2.080 10 0 CEAEHN CN[C@@H](c1ccoc1)C1(N2CCOCC2)CCCC1 ZINC000091646183 180215592 /nfs/dbraw/zinc/21/55/92/180215592.db2.gz KAQKQWXUDHOGIW-AWEZNQCLSA-N 0 3 264.369 2.185 10 0 CEAEHN C[C@@H]1CCC[C@](C(=O)C2CCOCC2)(N(C)C)C1 ZINC000091650034 180216207 /nfs/dbraw/zinc/21/62/07/180216207.db2.gz AODVVRUCJNODJF-DOMZBBRYSA-N 0 3 253.386 2.493 10 0 CEAEHN CC(C)n1ncnc1CC(=O)[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000091650360 180216462 /nfs/dbraw/zinc/21/64/62/180216462.db2.gz KBTRUXLUPRPDQV-BBRMVZONSA-N 0 3 292.427 2.481 10 0 CEAEHN CCN1CCC(N(C)c2nc(Cl)ncc2F)CC1 ZINC000091655479 180216769 /nfs/dbraw/zinc/21/67/69/180216769.db2.gz YMMOGAHUAYVCIZ-UHFFFAOYSA-N 0 3 272.755 2.190 10 0 CEAEHN Cn1ccnc1CCN[C@@H]1CCCc2cccnc21 ZINC000091661268 180219747 /nfs/dbraw/zinc/21/97/47/180219747.db2.gz ZBNVYSSDIOOSHK-CYBMUJFWSA-N 0 3 256.353 2.025 10 0 CEAEHN CCN[C@H](c1cc(F)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718757 180233337 /nfs/dbraw/zinc/23/33/37/180233337.db2.gz NPKXCEQAWGPVML-HUUCEWRRSA-N 0 3 266.360 2.115 10 0 CEAEHN CCCN[C@@H](c1ccc(OCC)cc1)[C@H]1CN(C)CCO1 ZINC000091719088 180234169 /nfs/dbraw/zinc/23/41/69/180234169.db2.gz LXOPXURFXIYDOU-SJORKVTESA-N 0 3 292.423 2.457 10 0 CEAEHN CC(C)Oc1ccc([C@H](C)N[C@H]2CCOC[C@@H]2O)cc1 ZINC000624235876 350239366 /nfs/dbraw/zinc/23/93/66/350239366.db2.gz RFCIZFXUWXNIOA-RCBQFDQVSA-N 0 3 279.380 2.274 10 0 CEAEHN CCN[C@H](c1ccsc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721571 180237531 /nfs/dbraw/zinc/23/75/31/180237531.db2.gz LCSASCVARKWFLP-MGPQQGTHSA-N 0 3 266.410 2.262 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1cnc2ccsc2c1 ZINC000624237178 350240474 /nfs/dbraw/zinc/24/04/74/350240474.db2.gz RGAPCCOLUXIYMZ-GAFUQQFSSA-N 0 3 278.377 2.097 10 0 CEAEHN CN[C@H](c1cc(C)ccc1OC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721463 180238050 /nfs/dbraw/zinc/23/80/50/180238050.db2.gz FMZAXTBTUODTTN-KBRIMQKVSA-N 0 3 290.407 2.127 10 0 CEAEHN CN[C@H](c1cccc(F)c1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721413 180238598 /nfs/dbraw/zinc/23/85/98/180238598.db2.gz FPMCLFUBTFQLJM-RIEGTJTDSA-N 0 3 282.334 2.089 10 0 CEAEHN COC(=O)c1ccc([C@H](C)N2CCC[C@@H]2CN(C)C)o1 ZINC000091782256 180253529 /nfs/dbraw/zinc/25/35/29/180253529.db2.gz VCQIDTXXZFBXEH-NWDGAFQWSA-N 0 3 280.368 2.153 10 0 CEAEHN N[C@@H]1CCCc2nc([C@@H]3CN4CCC[C@@H]4CO3)sc21 ZINC000091722450 180240379 /nfs/dbraw/zinc/24/03/79/180240379.db2.gz WLGYZKBEYYDTNR-FOGDFJRCSA-N 0 3 279.409 2.015 10 0 CEAEHN CCNCc1ncoc1-c1ccc(OC)c(OC)c1 ZINC000091957897 180292788 /nfs/dbraw/zinc/29/27/88/180292788.db2.gz PNSXRPFZHCCORP-UHFFFAOYSA-N 0 3 262.309 2.468 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc(C)cc2)C1 ZINC000092052453 180313035 /nfs/dbraw/zinc/31/30/35/180313035.db2.gz OKXPYVYCPWHZPB-GOEBONIOSA-N 0 3 262.397 2.366 10 0 CEAEHN CCN(Cc1nc(C)ccc1[O-])[C@H]1CCC[C@@H]1C[NH3+] ZINC000091996216 180301722 /nfs/dbraw/zinc/30/17/22/180301722.db2.gz MQCUDIQTVGMYLJ-OCCSQVGLSA-N 0 3 263.385 2.045 10 0 CEAEHN CNC(=O)CCCOc1ccc(C)nc1CNC(C)(C)C ZINC000091996007 180302510 /nfs/dbraw/zinc/30/25/10/180302510.db2.gz IUTTZDDVAYMETB-UHFFFAOYSA-N 0 3 293.411 2.183 10 0 CEAEHN CC(C)=CCN1CCC(N(C)c2cccnn2)CC1 ZINC000105806586 186072189 /nfs/dbraw/zinc/07/21/89/186072189.db2.gz DHCWLLQYCQWWPT-UHFFFAOYSA-N 0 3 260.385 2.343 10 0 CEAEHN COC(C)(C)c1noc([C@@H]2CNCc3ccccc32)n1 ZINC000092137820 180333533 /nfs/dbraw/zinc/33/35/33/180333533.db2.gz FIAVLJFJXYBTMX-GFCCVEGCSA-N 0 3 273.336 2.186 10 0 CEAEHN CCN[C@H](c1cc(Cl)cnc1N)C(C)(C)OC ZINC000092139282 180333600 /nfs/dbraw/zinc/33/36/00/180333600.db2.gz RJWUWYTWUKBXBZ-SNVBAGLBSA-N 0 3 257.765 2.393 10 0 CEAEHN CN[C@H](c1cc(OC)ccc1OC)C(C)(C)OC ZINC000092139127 180333727 /nfs/dbraw/zinc/33/37/27/180333727.db2.gz CEILKLMJZHSSQW-CYBMUJFWSA-N 0 3 253.342 2.389 10 0 CEAEHN Cc1nn(C[C@@H]2COc3ccccc32)c(C)c1CN ZINC000092304766 180360049 /nfs/dbraw/zinc/36/00/49/180360049.db2.gz AMAZHXGUVQPPTN-GFCCVEGCSA-N 0 3 257.337 2.135 10 0 CEAEHN Cc1c(CN)cnn1C[C@H]1Cc2ccccc2S1 ZINC000092271855 180356185 /nfs/dbraw/zinc/35/61/85/180356185.db2.gz OHMJPLBJXPLQAV-CYBMUJFWSA-N 0 3 259.378 2.367 10 0 CEAEHN CCN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874539 186081904 /nfs/dbraw/zinc/08/19/04/186081904.db2.gz XSCTVAMJGUMEEP-GFCCVEGCSA-N 0 3 254.399 2.073 10 0 CEAEHN CC(=O)C1CCN(C[C@@H]2COc3ccccc32)CC1 ZINC000092301867 180359342 /nfs/dbraw/zinc/35/93/42/180359342.db2.gz FXDDLKYMSCSYTB-CQSZACIVSA-N 0 3 259.349 2.464 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(Cl)nc2)CCN1CCOC ZINC000105836646 186077138 /nfs/dbraw/zinc/07/71/38/186077138.db2.gz LQOFODBHKRHMBX-AWEZNQCLSA-N 0 3 297.830 2.278 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC000105850367 186078156 /nfs/dbraw/zinc/07/81/56/186078156.db2.gz KXUOCSMUKKNGAF-CQSZACIVSA-N 0 3 292.427 2.041 10 0 CEAEHN CC[C@@H]1CN(Cc2ccccc2F)CCN1C[C@@H](C)O ZINC000106101652 186101487 /nfs/dbraw/zinc/10/14/87/186101487.db2.gz ITKZFDYNXQNGLH-UKRRQHHQSA-N 0 3 280.387 2.103 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(C)cc2)CCN1C[C@@H](C)O ZINC000106103898 186102580 /nfs/dbraw/zinc/10/25/80/186102580.db2.gz DFTFMLSVZMXXBJ-WBVHZDCISA-N 0 3 276.424 2.272 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1cccc(NC)n1 ZINC000092369651 180369876 /nfs/dbraw/zinc/36/98/76/180369876.db2.gz HMEJZGKIAGCPHG-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nnc(C(C)C)o1 ZINC000106378376 186111722 /nfs/dbraw/zinc/11/17/22/186111722.db2.gz RHZJANIGVXKKHV-GFCCVEGCSA-N 0 3 266.389 2.109 10 0 CEAEHN CC[S@@](=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1NC ZINC000092388809 180374558 /nfs/dbraw/zinc/37/45/58/180374558.db2.gz POGZFPWHYHFSTR-GLJUWKHASA-N 0 3 267.394 2.039 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](Sc1nnc(C)o1)CC2 ZINC000092389893 180375569 /nfs/dbraw/zinc/37/55/69/180375569.db2.gz DLOJJQKHVBPIFI-STQMWFEESA-N 0 3 291.376 2.494 10 0 CEAEHN CCC[C@@H](CC)N[C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000106534160 186125583 /nfs/dbraw/zinc/12/55/83/186125583.db2.gz YNBIVCZPCPGAPP-YPMHNXCESA-N 0 3 268.401 2.471 10 0 CEAEHN CCN1CCN([C@@H](CN)c2sccc2C)C[C@@H]1C ZINC000107919726 186197920 /nfs/dbraw/zinc/19/79/20/186197920.db2.gz ZHQNAACVJBGSED-STQMWFEESA-N 0 3 267.442 2.082 10 0 CEAEHN CCc1ccc([C@@H](C)NCC(C)(C)NS(C)(=O)=O)cc1 ZINC000109041626 186241662 /nfs/dbraw/zinc/24/16/62/186241662.db2.gz GGAICOCGFGZPLL-GFCCVEGCSA-N 0 3 298.452 2.227 10 0 CEAEHN CN[C@@H](COC)Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000109514019 186258566 /nfs/dbraw/zinc/25/85/66/186258566.db2.gz TZZBDKWSZGHQKP-SECBINFHSA-N 0 3 299.733 2.306 10 0 CEAEHN COc1ccc(CN[C@H]2CCCCC[C@@H]2O)c(OC)c1 ZINC000109554112 186262550 /nfs/dbraw/zinc/26/25/50/186262550.db2.gz UUTYTHBVJQUEMM-GJZGRUSLSA-N 0 3 279.380 2.487 10 0 CEAEHN CN(Cc1cnn(C)c1)c1cc(CN)nc2ccccc21 ZINC000109589181 186265153 /nfs/dbraw/zinc/26/51/53/186265153.db2.gz SEBOTRCRBMFPPD-UHFFFAOYSA-N 0 3 281.363 2.063 10 0 CEAEHN COc1cccc(NC(=S)N2CCC[C@@H]2CN(C)C)c1 ZINC000109671022 186269020 /nfs/dbraw/zinc/26/90/20/186269020.db2.gz PUVVBAQDSSLRBA-CYBMUJFWSA-N 0 3 293.436 2.418 10 0 CEAEHN CCCC[C@H](CC)CN1CCN([C@H](C)C(N)=S)CC1 ZINC000109468033 186254295 /nfs/dbraw/zinc/25/42/95/186254295.db2.gz PMIYMICFJKTODM-KGLIPLIRSA-N 0 3 285.501 2.495 10 0 CEAEHN CC(C)(C(N)=S)N1CCN(Cc2ccccc2F)CC1 ZINC000109470885 186254828 /nfs/dbraw/zinc/25/48/28/186254828.db2.gz LRWXWMWREWPFKG-UHFFFAOYSA-N 0 3 295.427 2.008 10 0 CEAEHN CCCc1nc(N2CC[C@@H](N3CCCC3)C2)sc1CO ZINC000110276238 186289405 /nfs/dbraw/zinc/28/94/05/186289405.db2.gz ZIYUWOJEIYKUGV-GFCCVEGCSA-N 0 3 295.452 2.262 10 0 CEAEHN CCCC(CCC)(C(N)=S)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000110272519 186289575 /nfs/dbraw/zinc/28/95/75/186289575.db2.gz IARPYAZZJMRVQW-GFCCVEGCSA-N 0 3 299.484 2.022 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CCc1nccs1 ZINC000110630192 186307176 /nfs/dbraw/zinc/30/71/76/186307176.db2.gz VSVFPYJZVLCREO-UHFFFAOYSA-N 0 3 292.339 2.465 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1O[C@H](C)C(=O)OC ZINC000110960309 186336931 /nfs/dbraw/zinc/33/69/31/186336931.db2.gz ZXSHNESLXHQCJG-WDEREUQCSA-N 0 3 251.326 2.216 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2ccc(C)s2)CCN1C ZINC000110703963 186314560 /nfs/dbraw/zinc/31/45/60/186314560.db2.gz VLSCPXDKIHWWQH-STQMWFEESA-N 0 3 267.442 2.082 10 0 CEAEHN CCc1ccc([C@H](O)CN2CCN(C)C(C)(C)C2)cc1 ZINC000110736291 186316994 /nfs/dbraw/zinc/31/69/94/186316994.db2.gz QVMXLLQLTVFMRJ-MRXNPFEDSA-N 0 3 276.424 2.308 10 0 CEAEHN CC[C@@H]1CN([C@@H]2CCc3ccccc3[C@@H]2O)CCN1C ZINC000110735968 186317016 /nfs/dbraw/zinc/31/70/16/186317016.db2.gz PYVMNQWMEXSZFJ-OIISXLGYSA-N 0 3 274.408 2.061 10 0 CEAEHN CCN1CCN(Cc2cc3ccccc3nc2N)C[C@@H]1C ZINC000110742459 186318542 /nfs/dbraw/zinc/31/85/42/186318542.db2.gz IQCWVLGFVOTBRH-ZDUSSCGKSA-N 0 3 284.407 2.343 10 0 CEAEHN CCNc1ncccc1CN1CCN(C)[C@@H](CC)C1 ZINC000110743085 186318670 /nfs/dbraw/zinc/31/86/70/186318670.db2.gz IBPOXSRMFCYFAJ-AWEZNQCLSA-N 0 3 262.401 2.039 10 0 CEAEHN CCO[C@@H]1CCCN([C@@H](CN)c2cccc(F)c2F)C1 ZINC000111039692 186346769 /nfs/dbraw/zinc/34/67/69/186346769.db2.gz WWQCLPVJCWFXQU-RISCZKNCSA-N 0 3 284.350 2.466 10 0 CEAEHN CN(C[C@H]1CCCCO1)[C@@H](CN)c1cccc(F)c1F ZINC000111039524 186347241 /nfs/dbraw/zinc/34/72/41/186347241.db2.gz IWTGGSHXSQZHHJ-RISCZKNCSA-N 0 3 284.350 2.466 10 0 CEAEHN CCCNc1ccc(Cl)c(C(=O)N(C)CCN(C)C)n1 ZINC000111151689 186360699 /nfs/dbraw/zinc/36/06/99/186360699.db2.gz SHHUWXONLMVWQY-UHFFFAOYSA-N 0 3 298.818 2.191 10 0 CEAEHN C[C@@H](N)c1ccccc1NS(=O)(=O)C(C)(C)C ZINC000111072194 186351095 /nfs/dbraw/zinc/35/10/95/186351095.db2.gz HUPMERGHJYBKAR-SECBINFHSA-N 0 3 256.371 2.247 10 0 CEAEHN CCCOCCOc1c(CN)cnc2ccccc21 ZINC000111105246 186353128 /nfs/dbraw/zinc/35/31/28/186353128.db2.gz KJONFBCRJGQAEE-UHFFFAOYSA-N 0 3 260.337 2.499 10 0 CEAEHN CCOCCN(CC)[C@@H](c1ccco1)[C@@H](N)CC ZINC000111116636 186353510 /nfs/dbraw/zinc/35/35/10/186353510.db2.gz OFZWXOBLUSXXIC-GXTWGEPZSA-N 0 3 254.374 2.416 10 0 CEAEHN CCC[C@@H]1CCC(=O)[C@@H](CN(C)CCN(C)C)C1 ZINC000111146385 186358406 /nfs/dbraw/zinc/35/84/06/186358406.db2.gz SSXNXIUQULEBSG-ZIAGYGMSSA-N 0 3 254.418 2.265 10 0 CEAEHN CCc1ccc([C@@H](O)[C@@H](C)N(C)CCN(C)C)cc1 ZINC000111142668 186358732 /nfs/dbraw/zinc/35/87/32/186358732.db2.gz HBHJIXUJYNVKNJ-CJNGLKHVSA-N 0 3 264.413 2.164 10 0 CEAEHN CN(C)CCN(C)C[C@H](O)c1cccc2ccccc21 ZINC000111143250 186358942 /nfs/dbraw/zinc/35/89/42/186358942.db2.gz APNWAEVNZJDJAJ-KRWDZBQOSA-N 0 3 272.392 2.367 10 0 CEAEHN CN(Cc1ccc(F)cc1)C[C@]1(CO)CCCOC1 ZINC000111331607 186399480 /nfs/dbraw/zinc/39/94/80/186399480.db2.gz SVUQEOPCDAHWOY-HNNXBMFYSA-N 0 3 267.344 2.047 10 0 CEAEHN COc1ccc([O-])c(C(=O)N[C@@]2(C[NH3+])CCC[C@H](C)C2)c1 ZINC000111369876 186407552 /nfs/dbraw/zinc/40/75/52/186407552.db2.gz ZVDKDMRDJCWSQA-ZBEGNZNMSA-N 0 3 292.379 2.038 10 0 CEAEHN Cc1cc(NC(=O)N2CC[C@@H](N(C)C)C2)cnc1Cl ZINC000119466518 186829500 /nfs/dbraw/zinc/82/95/00/186829500.db2.gz TZJTYRUYPUOCCC-LLVKDONJSA-N 0 3 282.775 2.211 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cc(F)ccc2OC)C1 ZINC000122112665 187016115 /nfs/dbraw/zinc/01/61/15/187016115.db2.gz ZFXQVAURMMOOEP-GFCCVEGCSA-N 0 3 295.358 2.440 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cccc(C)n1 ZINC000124108063 187122508 /nfs/dbraw/zinc/12/25/08/187122508.db2.gz URRJPSVBEVHIJZ-ZDUSSCGKSA-N 0 3 276.384 2.338 10 0 CEAEHN CCc1nc(C)c([C@@H](C)NC[C@@H](C)N2CCOCC2)s1 ZINC000123237416 187079735 /nfs/dbraw/zinc/07/97/35/187079735.db2.gz ZXFAPJNBLSCAGO-VXGBXAGGSA-N 0 3 297.468 2.385 10 0 CEAEHN C[C@H](CN[C@H](C)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000123401782 187089546 /nfs/dbraw/zinc/08/95/46/187089546.db2.gz UGEWEMIKKHLVHQ-VXGBXAGGSA-N 0 3 284.350 2.336 10 0 CEAEHN NCc1c[nH]c(-c2ccc(Br)s2)n1 ZINC000070598076 363100408 /nfs/dbraw/zinc/10/04/08/363100408.db2.gz FKQFPXIFVFPAON-UHFFFAOYSA-N 0 3 258.144 2.359 10 0 CEAEHN NCc1cnc(-c2ccc(Br)s2)nc1 ZINC000070598041 363100681 /nfs/dbraw/zinc/10/06/81/363100681.db2.gz KBBAMMDHFNMHPH-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCN2)cc1F ZINC000094956566 539888469 /nfs/dbraw/zinc/88/84/69/539888469.db2.gz KBSONPLWBFACHM-SMDDNHRTSA-N 0 3 264.344 2.453 10 0 CEAEHN C[C@H](CN1CCCCC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251067286 539971974 /nfs/dbraw/zinc/97/19/74/539971974.db2.gz DOWMUVAPCBWJTN-YIYPIFLZSA-N 0 3 250.386 2.023 10 0 CEAEHN CC[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000154939083 188172297 /nfs/dbraw/zinc/17/22/97/188172297.db2.gz YEEXEPKJSJMXSZ-KBPBESRZSA-N 0 3 274.343 2.473 10 0 CEAEHN Cc1ccc2cccc(C(=O)N3CC[C@@H](N(C)C)C3)c2n1 ZINC000132779964 366170988 /nfs/dbraw/zinc/17/09/88/366170988.db2.gz WBWTXYYNEDHKPI-CQSZACIVSA-N 0 3 283.375 2.319 10 0 CEAEHN N[C@@H]1C[C@@H](C(F)(F)F)S(=O)(=O)c2cc(Cl)ccc21 ZINC000675060136 540080037 /nfs/dbraw/zinc/08/00/37/540080037.db2.gz SIVLJHBXXYVLTJ-APPZFPTMSA-N 0 3 299.701 2.448 10 0 CEAEHN Cc1cncc(C2=C[C@@H](N)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000675079108 540119566 /nfs/dbraw/zinc/11/95/66/540119566.db2.gz WJWLDARFGZTGMF-CQSZACIVSA-N 0 3 289.379 2.351 10 0 CEAEHN Brc1cccc(-c2cnn3c2CNCC3)c1 ZINC000675080824 540120594 /nfs/dbraw/zinc/12/05/94/540120594.db2.gz WJVXQAOJTOETCI-UHFFFAOYSA-N 0 3 278.153 2.416 10 0 CEAEHN CC(C)[C@H](NCc1cccc2ccccc21)C(N)=O ZINC000223766242 540161550 /nfs/dbraw/zinc/16/15/50/540161550.db2.gz VEIHVCPIBGLUHX-HNNXBMFYSA-N 0 3 256.349 2.439 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)c1ccc(OC)cc1 ZINC000163542198 540216996 /nfs/dbraw/zinc/21/69/96/540216996.db2.gz TXYVCMBVOIFADK-ZWNOBZJWSA-N 0 3 250.342 2.031 10 0 CEAEHN C[C@H]1C[C@H](C(=O)N2CCN3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000248534456 291103266 /nfs/dbraw/zinc/10/32/66/291103266.db2.gz GDOGMKXRYRKUOZ-CBBWQLFWSA-N 0 3 264.413 2.365 10 0 CEAEHN CC(C)CS(=O)(=O)C(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000076214158 363529734 /nfs/dbraw/zinc/52/97/34/363529734.db2.gz BDWFAZGWRNJYEA-STQMWFEESA-N 0 3 297.420 2.323 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)c1cccnc1 ZINC000079269574 363586576 /nfs/dbraw/zinc/58/65/76/363586576.db2.gz OGNQCWZWLIIMNE-DZGCQCFKSA-N 0 3 292.427 2.418 10 0 CEAEHN CCCCN(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000079495877 363610583 /nfs/dbraw/zinc/61/05/83/363610583.db2.gz AKNVGTDTWJNIGT-CYBMUJFWSA-N 0 3 257.422 2.404 10 0 CEAEHN CCNC(=O)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC000135709220 366470771 /nfs/dbraw/zinc/47/07/71/366470771.db2.gz VYTVDLFTSPWYML-SECBINFHSA-N 0 3 256.296 2.142 10 0 CEAEHN CC[C@H](COC)N[C@H](CN(C)C)c1ccccc1 ZINC000079707096 363622862 /nfs/dbraw/zinc/62/28/62/363622862.db2.gz RASSDOPVLBFRLH-HUUCEWRRSA-N 0 3 250.386 2.304 10 0 CEAEHN Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000077730128 540554016 /nfs/dbraw/zinc/55/40/16/540554016.db2.gz XKURZOYMAWRAPS-HNNXBMFYSA-N 0 3 292.423 2.466 10 0 CEAEHN NCc1ccc(Br)nc1Br ZINC000095830236 283528381 /nfs/dbraw/zinc/52/83/81/283528381.db2.gz CQZFRFVORLQNCN-UHFFFAOYSA-N 0 3 265.936 2.065 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000176979779 189018039 /nfs/dbraw/zinc/01/80/39/189018039.db2.gz VOSQWMFWOCABKO-GFCCVEGCSA-N 0 3 292.427 2.264 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C(=O)OC)c1ccccc1 ZINC000177700190 189064564 /nfs/dbraw/zinc/06/45/64/189064564.db2.gz QMGVLZQJJYUDNQ-CVEARBPZSA-N 0 3 290.407 2.317 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccccn1 ZINC000178302057 189104904 /nfs/dbraw/zinc/10/49/04/189104904.db2.gz YTBXDLVVDWIDSY-HNNXBMFYSA-N 0 3 256.353 2.251 10 0 CEAEHN Cc1nc(CN2CCC[C@H]2Cn2ccnc2C)oc1C ZINC000178309373 189105394 /nfs/dbraw/zinc/10/53/94/189105394.db2.gz GFZNQRBPFGUXLD-AWEZNQCLSA-N 0 3 274.368 2.461 10 0 CEAEHN O=C(CCc1ccc(F)cc1F)N1CCN2CCC[C@@H]2C1 ZINC000178539363 189125655 /nfs/dbraw/zinc/12/56/55/189125655.db2.gz TZDFZNRBNPKEJA-CQSZACIVSA-N 0 3 294.345 2.204 10 0 CEAEHN CC[C@H](C(=O)N[C@@H](C)COCc1ccccc1)N(C)C ZINC000178567849 189127447 /nfs/dbraw/zinc/12/74/47/189127447.db2.gz ZYJIDDRFSDWUGL-DZGCQCFKSA-N 0 3 278.396 2.048 10 0 CEAEHN Fc1cccc2c1SCC[C@@H]2NCCn1cncn1 ZINC000268840949 540938889 /nfs/dbraw/zinc/93/88/89/540938889.db2.gz QUVNCHDWOMBNBI-LBPRGKRZSA-N 0 3 278.356 2.244 10 0 CEAEHN Cc1nc(C)c([C@H](C)N[C@@H]2CCc3ncnn3C2)s1 ZINC000180586026 189263505 /nfs/dbraw/zinc/26/35/05/189263505.db2.gz WHXGENYDXQFKLC-GXSJLCMTSA-N 0 3 277.397 2.017 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)CCC2 ZINC000180582475 189263600 /nfs/dbraw/zinc/26/36/00/189263600.db2.gz WYVMSELXHBIVOB-LRDDRELGSA-N 0 3 282.391 2.432 10 0 CEAEHN Cc1nc(C)c([C@@H](C)N[C@H]2CCc3ncnn3C2)s1 ZINC000180586054 189263774 /nfs/dbraw/zinc/26/37/74/189263774.db2.gz WHXGENYDXQFKLC-KOLCDFICSA-N 0 3 277.397 2.017 10 0 CEAEHN CCc1ccc([C@H](C)N[C@H]2CCc3ncnn3C2)o1 ZINC000180598041 189264807 /nfs/dbraw/zinc/26/48/07/189264807.db2.gz RFOPSLCIFJIKPX-QWRGUYRKSA-N 0 3 260.341 2.099 10 0 CEAEHN COCCCNCC(=O)Nc1cc(Cl)ccc1C ZINC000001851686 361224052 /nfs/dbraw/zinc/22/40/52/361224052.db2.gz ROGYLWHWBSITIF-UHFFFAOYSA-N 0 3 270.760 2.213 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1O ZINC000181184667 189290281 /nfs/dbraw/zinc/29/02/81/189290281.db2.gz LAFSQTGKJSORKN-GXTWGEPZSA-N 0 3 276.380 2.159 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000082287893 363760363 /nfs/dbraw/zinc/76/03/63/363760363.db2.gz OAIKTRDENGERSQ-LBPRGKRZSA-N 0 3 276.355 2.020 10 0 CEAEHN Cn1cc([C@@H]2CCN(CCC(=O)c3ccccc3)C2)cn1 ZINC000182313272 189319677 /nfs/dbraw/zinc/31/96/77/189319677.db2.gz PTTNBQVDHPSWMI-OAHLLOKOSA-N 0 3 283.375 2.482 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000083550472 363779571 /nfs/dbraw/zinc/77/95/71/363779571.db2.gz TUBJKUGWXXMDKP-GHMZBOCLSA-N 0 3 279.771 2.044 10 0 CEAEHN OC[C@@H]1CCCN1C[C@@H]1CCCN1c1ncccc1Cl ZINC000301699109 201146018 /nfs/dbraw/zinc/14/60/18/201146018.db2.gz COYIGZOJGQRFKT-STQMWFEESA-N 0 3 295.814 2.161 10 0 CEAEHN CCn1cncc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000019578617 361544057 /nfs/dbraw/zinc/54/40/57/361544057.db2.gz DOFHJCFAGZSFRS-UKRRQHHQSA-N 0 3 263.385 2.030 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)c1cnccn1 ZINC000184601935 189390008 /nfs/dbraw/zinc/39/00/08/189390008.db2.gz BEMPWMNGZFHLPV-JSGCOSHPSA-N 0 3 271.368 2.207 10 0 CEAEHN CC(C)(O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000032116283 361729689 /nfs/dbraw/zinc/72/96/89/361729689.db2.gz BPERXOGMIBPLND-UHFFFAOYSA-N 0 3 268.788 2.233 10 0 CEAEHN CC1(C)CN(C[C@H](O)COCc2ccccc2)CCS1 ZINC000084963920 363827277 /nfs/dbraw/zinc/82/72/77/363827277.db2.gz SGHGKLOGCDQRRA-HNNXBMFYSA-N 0 3 295.448 2.392 10 0 CEAEHN CCCN1CCN(c2nc3ncccc3s2)CC1 ZINC000089229539 363951250 /nfs/dbraw/zinc/95/12/50/363951250.db2.gz NLBIXXRHBZXZGZ-UHFFFAOYSA-N 0 3 262.382 2.223 10 0 CEAEHN Cc1nn(C)cc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000092812426 364109357 /nfs/dbraw/zinc/10/93/57/364109357.db2.gz UOGQKLWOLBASRO-AWEZNQCLSA-N 0 3 285.395 2.058 10 0 CEAEHN COC[C@H](C)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000097038824 364428794 /nfs/dbraw/zinc/42/87/94/364428794.db2.gz BGVAYGNXKVMZSQ-LBPRGKRZSA-N 0 3 279.384 2.001 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(CCc2ccncc2)C1 ZINC000101565503 364561792 /nfs/dbraw/zinc/56/17/92/364561792.db2.gz RYFCIQCYHOHFOT-HNNXBMFYSA-N 0 3 275.396 2.005 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1CCn1cccn1 ZINC000105896052 364703303 /nfs/dbraw/zinc/70/33/03/364703303.db2.gz WDAGZKSNJIFYHM-AWEZNQCLSA-N 0 3 273.384 2.071 10 0 CEAEHN CC[C@@H](C)CN(C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000111836880 364764434 /nfs/dbraw/zinc/76/44/34/364764434.db2.gz YVYRILBVVCLCSV-OLZOCXBDSA-N 0 3 255.406 2.158 10 0 CEAEHN CC[C@@H](OC1CCCC1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000112905171 364855215 /nfs/dbraw/zinc/85/52/15/364855215.db2.gz VGKNAFWQTHHJLC-UKRRQHHQSA-N 0 3 282.428 2.325 10 0 CEAEHN CN1CCC[C@H](CNC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000116548672 365062125 /nfs/dbraw/zinc/06/21/25/365062125.db2.gz VHPIBLMGZOUKTB-ZIAGYGMSSA-N 0 3 291.395 2.468 10 0 CEAEHN CN(C)C[C@@H](NC(=O)CC1CCOCC1)c1ccccc1 ZINC000117125901 365092513 /nfs/dbraw/zinc/09/25/13/365092513.db2.gz ZXDCRAQQKVXDTR-MRXNPFEDSA-N 0 3 290.407 2.222 10 0 CEAEHN CCc1noc([C@@H](C)N2CCN(C[C@H](C)CC)CC2)n1 ZINC000120502451 365434170 /nfs/dbraw/zinc/43/41/70/365434170.db2.gz ZQQOEYVYFMTHSR-CHWSQXEVSA-N 0 3 280.416 2.357 10 0 CEAEHN CC[C@@H]1CN(Cc2cc(F)cc(F)c2)CCN1C[C@@H](C)O ZINC000120681178 365460545 /nfs/dbraw/zinc/46/05/45/365460545.db2.gz LQDBOZKDTLVATF-MLGOLLRUSA-N 0 3 298.377 2.242 10 0 CEAEHN COCCN1CCN(Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000120854348 365486285 /nfs/dbraw/zinc/48/62/85/365486285.db2.gz DRYFJDLEFBIBFP-AWEZNQCLSA-N 0 3 287.407 2.320 10 0 CEAEHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCn1ccnc1 ZINC000162210328 367144902 /nfs/dbraw/zinc/14/49/02/367144902.db2.gz PGWNNQULVLVGTC-AWEZNQCLSA-N 0 3 296.378 2.157 10 0 CEAEHN CCC[C@@H](C(=O)NCc1cccc(COC)c1)N(C)C ZINC000161599675 367099577 /nfs/dbraw/zinc/09/95/77/367099577.db2.gz FSEGEWMHNWXICZ-HNNXBMFYSA-N 0 3 278.396 2.180 10 0 CEAEHN C[C@@H](O)[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000162784466 367191120 /nfs/dbraw/zinc/19/11/20/367191120.db2.gz QQVVPFNQXDIGMJ-TZMCWYRMSA-N 0 3 256.349 2.438 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(F)ccc32)C1 ZINC000170833835 367428130 /nfs/dbraw/zinc/42/81/30/367428130.db2.gz IEFJSMGCZSDLRB-HIFRSBDPSA-N 0 3 291.370 2.159 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCn2ccc3ccccc32)C1 ZINC000170859229 367432104 /nfs/dbraw/zinc/43/21/04/367432104.db2.gz MWDUDNZIHAFEKW-OAHLLOKOSA-N 0 3 285.391 2.194 10 0 CEAEHN COc1ccc(Cl)cc1CC(=O)N1CC[C@H](N(C)C)C1 ZINC000170858486 367432222 /nfs/dbraw/zinc/43/22/22/367432222.db2.gz KVHTWDBVUBFBKS-ZDUSSCGKSA-N 0 3 296.798 2.054 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2ccccc2Cl)C1 ZINC000170861528 367434556 /nfs/dbraw/zinc/43/45/56/367434556.db2.gz BMRCQNREXSNYCD-GFCCVEGCSA-N 0 3 266.772 2.045 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000170874692 367437622 /nfs/dbraw/zinc/43/76/22/367437622.db2.gz HUAQSNIHNOXDSY-JTQLQIEISA-N 0 3 280.397 2.188 10 0 CEAEHN CSc1ccsc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000170948927 367451678 /nfs/dbraw/zinc/45/16/78/367451678.db2.gz KEQLKTFDMVQYGX-SNVBAGLBSA-N 0 3 282.434 2.390 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000171385261 367532050 /nfs/dbraw/zinc/53/20/50/367532050.db2.gz CFRASJXKJRVKFL-ZDUSSCGKSA-N 0 3 272.352 2.336 10 0 CEAEHN Cc1ccccc1NC(=O)[C@H](C)N1CCN2CCC[C@@H]2C1 ZINC000171640630 367584005 /nfs/dbraw/zinc/58/40/05/367584005.db2.gz RENFSWSXVOEWIU-LSDHHAIUSA-N 0 3 287.407 2.102 10 0 CEAEHN c1ccc(-c2nnc(CN3CCN4CCC[C@@H]4C3)o2)cc1 ZINC000171639541 367584485 /nfs/dbraw/zinc/58/44/85/367584485.db2.gz PCIRUGFLBOMXSV-CQSZACIVSA-N 0 3 284.363 2.017 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C/c2cnc(C)s2)C1 ZINC000171804583 367617911 /nfs/dbraw/zinc/61/79/11/367617911.db2.gz VAZPZDLUZQMTQG-NNNHXZLVSA-N 0 3 279.409 2.065 10 0 CEAEHN Cn1cc([C@H]2CCCN2C[C@@H](O)Cc2ccccc2)cn1 ZINC000245877484 370882707 /nfs/dbraw/zinc/88/27/07/370882707.db2.gz ZCNLPTGCWNZWPX-DLBZAZTESA-N 0 3 285.391 2.161 10 0 CEAEHN CCc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](CC)C2)o1 ZINC000245783939 370872956 /nfs/dbraw/zinc/87/29/56/370872956.db2.gz UWVDNLCLKBILAT-KGLIPLIRSA-N 0 3 280.412 2.119 10 0 CEAEHN FC(F)(F)COCCCN1CCN2CCCC[C@H]2C1 ZINC000172804207 367821354 /nfs/dbraw/zinc/82/13/54/367821354.db2.gz NWIGEGQPBSCQSP-LBPRGKRZSA-N 0 3 280.334 2.126 10 0 CEAEHN C[C@H](CN[C@@H](C)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000173306950 367894485 /nfs/dbraw/zinc/89/44/85/367894485.db2.gz JAHQATDBNBFIGV-NEPJUHHUSA-N 0 3 284.350 2.336 10 0 CEAEHN CC[C@@H](CSC)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000181457951 368457122 /nfs/dbraw/zinc/45/71/22/368457122.db2.gz AJCPUBQKXDBVPF-QWHCGFSZSA-N 0 3 287.473 2.254 10 0 CEAEHN CCCc1cccc(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000186756423 369035255 /nfs/dbraw/zinc/03/52/55/369035255.db2.gz ONXHHSHYPMEJDY-KRWDZBQOSA-N 0 3 276.424 2.402 10 0 CEAEHN C[C@@H](O)CN1CCN(CCCCc2ccccc2)C[C@H]1C ZINC000186969885 369078158 /nfs/dbraw/zinc/07/81/58/369078158.db2.gz PEVLNSMMVWNTDS-IAGOWNOFSA-N 0 3 290.451 2.396 10 0 CEAEHN CCC[C@H](C(=O)N1CCC([C@H]2CCCO2)CC1)N(C)C ZINC000187585584 369182509 /nfs/dbraw/zinc/18/25/09/369182509.db2.gz QIKGWCRGRQOCMX-HUUCEWRRSA-N 0 3 282.428 2.134 10 0 CEAEHN C/C=C\C[C@H](CO)NCc1cnc2c(cnn2C(C)C)c1 ZINC000349803212 369404505 /nfs/dbraw/zinc/40/45/05/369404505.db2.gz QJOXQEQHEYTHDE-FOSCPCJNSA-N 0 3 288.395 2.429 10 0 CEAEHN COCCc1ccccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000189537947 369533072 /nfs/dbraw/zinc/53/30/72/369533072.db2.gz UHPPMTMNLIPPOY-CQSZACIVSA-N 0 3 291.395 2.043 10 0 CEAEHN C[C@H](NCCn1cncn1)c1csc(Cl)c1 ZINC000276355030 193297461 /nfs/dbraw/zinc/29/74/61/193297461.db2.gz LTOBGIQFAQKIEO-QMMMGPOBSA-N 0 3 256.762 2.344 10 0 CEAEHN C[C@@H]1CCC[C@@H](NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000190972408 369665190 /nfs/dbraw/zinc/66/51/90/369665190.db2.gz RVNMIJULBXMGLJ-RBSFLKMASA-N 0 3 279.428 2.445 10 0 CEAEHN C[C@@H](CCN1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000193582123 369958721 /nfs/dbraw/zinc/95/87/21/369958721.db2.gz SWQRLIDPJOOYQO-DOTOQJQBSA-N 0 3 276.424 2.443 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1ccc2c(c1)OCO2 ZINC000193358386 369932199 /nfs/dbraw/zinc/93/21/99/369932199.db2.gz KYPWWFUAGYTYPY-AWEZNQCLSA-N 0 3 295.379 2.025 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)C(C2CC2)C2CC2)C1 ZINC000195334884 370125624 /nfs/dbraw/zinc/12/56/24/370125624.db2.gz ITMXFKLYMZVBLJ-CQSZACIVSA-N 0 3 279.428 2.301 10 0 CEAEHN COC[C@]1(C(=O)N[C@H](C)c2cccs2)CCCCN1 ZINC000637884214 370146740 /nfs/dbraw/zinc/14/67/40/370146740.db2.gz BBTJPPNOVVQSIN-RISCZKNCSA-N 0 3 282.409 2.084 10 0 CEAEHN COC(=O)Nc1ccc(NC[C@H]2CCCCN2C)c(N)c1 ZINC000202652357 370152426 /nfs/dbraw/zinc/15/24/26/370152426.db2.gz GXIBQYVDFDSDDK-GFCCVEGCSA-N 0 3 292.383 2.343 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000637900406 370157125 /nfs/dbraw/zinc/15/71/25/370157125.db2.gz BCIMHJZUZNGYSR-BBBLOLIVSA-N 0 3 266.307 2.222 10 0 CEAEHN CCCCN1CC=C(c2nn3cnnc3s2)CC1 ZINC000226250829 370332187 /nfs/dbraw/zinc/33/21/87/370332187.db2.gz WUVJCHOQNTUGBL-UHFFFAOYSA-N 0 3 263.370 2.075 10 0 CEAEHN Cc1c(CNC[C@H](C)c2nccs2)cnn1C ZINC000230693445 370464799 /nfs/dbraw/zinc/46/47/99/370464799.db2.gz QZIFRFNVVIZTPU-VIFPVBQESA-N 0 3 250.371 2.078 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000247017562 371046507 /nfs/dbraw/zinc/04/65/07/371046507.db2.gz SGHQBQWAHAGYMV-OLZOCXBDSA-N 0 3 293.798 2.434 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000246992536 371042654 /nfs/dbraw/zinc/04/26/54/371042654.db2.gz FHJFSRRVXARXLN-RBSFLKMASA-N 0 3 297.443 2.118 10 0 CEAEHN CO[C@H](C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1 ZINC000247341482 371096379 /nfs/dbraw/zinc/09/63/79/371096379.db2.gz NNRIBOSPVAVXJM-BPUTZDHNSA-N 0 3 290.407 2.219 10 0 CEAEHN C[C@H](c1cn(-c2ccccc2)nn1)N1CCN2CCC[C@H]2C1 ZINC000247566573 371126369 /nfs/dbraw/zinc/12/63/69/371126369.db2.gz SAUYDWCYJAWDOW-ZBFHGGJFSA-N 0 3 297.406 2.108 10 0 CEAEHN Cn1cc([C@@H]2CCCN2C[C@@](C)(O)c2ccccc2)cn1 ZINC000247575191 371127604 /nfs/dbraw/zinc/12/76/04/371127604.db2.gz SEDGXKLXADLYML-DLBZAZTESA-N 0 3 285.391 2.465 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1csnc1C ZINC000248402786 371187487 /nfs/dbraw/zinc/18/74/87/371187487.db2.gz NTAVVBJURUZJLX-RYUDHWBXSA-N 0 3 279.409 2.150 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCO1 ZINC000248627247 371226539 /nfs/dbraw/zinc/22/65/39/371226539.db2.gz ZCUGKQFAGZHBHB-KLHDSHLOSA-N 0 3 296.455 2.427 10 0 CEAEHN C[C@H](O)CN1CCN(CCCCc2ccccc2)C[C@H]1C ZINC000248567282 371213196 /nfs/dbraw/zinc/21/31/96/371213196.db2.gz PEVLNSMMVWNTDS-SJORKVTESA-N 0 3 290.451 2.396 10 0 CEAEHN CCc1nnc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)n1C ZINC000248575679 371216013 /nfs/dbraw/zinc/21/60/13/371216013.db2.gz SWZUFOQACXRHFR-IJLUTSLNSA-N 0 3 250.390 2.292 10 0 CEAEHN C[C@H](Cc1ccccc1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000248585228 371217368 /nfs/dbraw/zinc/21/73/68/371217368.db2.gz PUUBBSNAEFBJLI-SJLPKXTDSA-N 0 3 299.418 2.463 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000249764599 371360770 /nfs/dbraw/zinc/36/07/70/371360770.db2.gz OBTJBWAWZPWGLD-IHRRRGAJSA-N 0 3 267.417 2.158 10 0 CEAEHN CN1CC[C@@H](N)[C@H]1c1cc(Br)cs1 ZINC000250608143 371388108 /nfs/dbraw/zinc/38/81/08/371388108.db2.gz LXRMFIRUVJRACC-APPZFPTMSA-N 0 3 261.188 2.215 10 0 CEAEHN COC(=O)[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1C ZINC000251754426 371415115 /nfs/dbraw/zinc/41/51/15/371415115.db2.gz LMIXRUNEFPLOIM-IUODEOHRSA-N 0 3 284.359 2.476 10 0 CEAEHN CC(C)CCC[C@@H](C)NC(=O)[C@@H](N)C1CCOCC1 ZINC000261860823 371753511 /nfs/dbraw/zinc/75/35/11/371753511.db2.gz SGJWGSHMCZHVLO-OCCSQVGLSA-N 0 3 270.417 2.071 10 0 CEAEHN CCn1cc(C2CCN(Cc3cnc(N)s3)CC2)cn1 ZINC000262078367 371819923 /nfs/dbraw/zinc/81/99/23/371819923.db2.gz SVKLMACRLGWJPZ-UHFFFAOYSA-N 0 3 291.424 2.321 10 0 CEAEHN CCc1cc(NC(=O)[C@]2(COC)CCCN2)ccc1C ZINC000643779121 373265231 /nfs/dbraw/zinc/26/52/31/373265231.db2.gz QVKZTECOKAMACN-MRXNPFEDSA-N 0 3 276.380 2.265 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1csc(Cl)n1 ZINC000274517983 373948080 /nfs/dbraw/zinc/94/80/80/373948080.db2.gz RSCDDBGPQZRMEU-RKDXNWHRSA-N 0 3 285.800 2.105 10 0 CEAEHN Cc1cnc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)o1 ZINC000374175916 374507190 /nfs/dbraw/zinc/50/71/90/374507190.db2.gz URZXIFJDTJWOEA-BFHYXJOUSA-N 0 3 264.369 2.499 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2sccc2C)C1 ZINC000165251572 541992402 /nfs/dbraw/zinc/99/24/02/541992402.db2.gz RFBJBOYUDMFCCB-STQMWFEESA-N 0 3 268.426 2.428 10 0 CEAEHN COc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)cc1Cl ZINC000282187994 375423359 /nfs/dbraw/zinc/42/33/59/375423359.db2.gz BTKAMQDNNCENSI-SKDRFNHKSA-N 0 3 282.771 2.105 10 0 CEAEHN COc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)c(F)c1 ZINC000282391839 375473676 /nfs/dbraw/zinc/47/36/76/375473676.db2.gz RDHYRDPXNRJZSP-IMSIIYSGSA-N 0 3 280.343 2.152 10 0 CEAEHN CCCOc1cccc(CN[C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282205194 375428705 /nfs/dbraw/zinc/42/87/05/375428705.db2.gz CXJPLZNZTNHFQH-DOMZBBRYSA-N 0 3 276.380 2.232 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cccc(Br)c1 ZINC000282247100 375438264 /nfs/dbraw/zinc/43/82/64/375438264.db2.gz GKDAEHFITUJIAK-BXKDBHETSA-N 0 3 297.196 2.206 10 0 CEAEHN Cc1cnn(C)c1CNCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000286468286 375964594 /nfs/dbraw/zinc/96/45/94/375964594.db2.gz KTDLXOXZJFRSQJ-GFCCVEGCSA-N 0 3 296.415 2.121 10 0 CEAEHN Cc1ccc(CN2C[C@H]3CCCCN3C[C@H]2C)nc1 ZINC000334322098 206367197 /nfs/dbraw/zinc/36/71/97/206367197.db2.gz IKXWPBCFWORXBS-GDBMZVCRSA-N 0 3 259.397 2.449 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCC(C)(C)O)c1C ZINC000311072714 376651248 /nfs/dbraw/zinc/65/12/48/376651248.db2.gz MBBWCFZNUZKJGA-JTQLQIEISA-N 0 3 253.390 2.331 10 0 CEAEHN COc1cccc(NC(=O)CNC2(C(C)C)CC2)c1 ZINC000293220216 377479300 /nfs/dbraw/zinc/47/93/00/377479300.db2.gz YTKMRRVHTKRMKK-UHFFFAOYSA-N 0 3 262.353 2.412 10 0 CEAEHN Cc1c(CNCCOCC2CCCC2)cnn1C ZINC000313281634 249392584 /nfs/dbraw/zinc/39/25/84/249392584.db2.gz LIMZHILYRLMQBN-UHFFFAOYSA-N 0 3 251.374 2.025 10 0 CEAEHN CCNC(=O)C(C)(C)NC[C@@H]1CCCCC1(F)F ZINC000313075828 249379285 /nfs/dbraw/zinc/37/92/85/249379285.db2.gz NZGGXFIGEWSHJR-JTQLQIEISA-N 0 3 262.344 2.316 10 0 CEAEHN CCN(CCO)CCNc1ccnc2cc(F)ccc21 ZINC000302231357 379339685 /nfs/dbraw/zinc/33/96/85/379339685.db2.gz XMJVSTHAHLMWMK-UHFFFAOYSA-N 0 3 277.343 2.100 10 0 CEAEHN OC[C@H]1CCCN1C[C@@H]1CCCN1c1ccncc1Cl ZINC000301696509 379298561 /nfs/dbraw/zinc/29/85/61/379298561.db2.gz BHJRCOABSICYDO-QWHCGFSZSA-N 0 3 295.814 2.161 10 0 CEAEHN Cc1cc2ncc([C@H](C)N[C@H]3CCC[C@H](O)C3)c(C)n2n1 ZINC000037163574 542278511 /nfs/dbraw/zinc/27/85/11/542278511.db2.gz RSYUSMFWWSSQSA-UBHSHLNASA-N 0 3 288.395 2.300 10 0 CEAEHN C[C@H](NCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCO1 ZINC000183106878 542287023 /nfs/dbraw/zinc/28/70/23/542287023.db2.gz HCUHSGUWBRYXHA-TVQRCGJNSA-N 0 3 284.306 2.060 10 0 CEAEHN COCCN1CCN(Cc2cccc3cnccc32)C[C@H]1C ZINC000183277303 542290032 /nfs/dbraw/zinc/29/00/32/542290032.db2.gz NHBSZCLJNKVJPJ-OAHLLOKOSA-N 0 3 299.418 2.387 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2cccc3cnccc32)CC1 ZINC000183288981 542290731 /nfs/dbraw/zinc/29/07/31/542290731.db2.gz RSUZVCPTZYUVKV-KRWDZBQOSA-N 0 3 299.418 2.123 10 0 CEAEHN c1cn(C[C@H]2CCCN2Cc2cnn3ccccc23)cn1 ZINC000188403624 542321291 /nfs/dbraw/zinc/32/12/91/542321291.db2.gz JDNJJIQDPDZXNM-OAHLLOKOSA-N 0 3 281.363 2.195 10 0 CEAEHN CN[C@@H](C)c1c(F)cccc1N(CCO)C1CC1 ZINC000042479883 184553774 /nfs/dbraw/zinc/55/37/74/184553774.db2.gz QYMSREGGHPRPNH-JTQLQIEISA-N 0 3 252.333 2.067 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1coc(C2CCC2)n1 ZINC000192572341 542348793 /nfs/dbraw/zinc/34/87/93/542348793.db2.gz HASSGJFRORHGTE-WCQYABFASA-N 0 3 289.379 2.251 10 0 CEAEHN CC(C)N1C(=O)CC[C@H](N)[C@@H]1c1cc(F)ccc1F ZINC000070986807 184574548 /nfs/dbraw/zinc/57/45/48/184574548.db2.gz GFENWRUHCHQATN-JSGCOSHPSA-N 0 3 268.307 2.364 10 0 CEAEHN CCCN(CC)S(=O)(=O)c1ccsc1CNCC ZINC000088944693 184615180 /nfs/dbraw/zinc/61/51/80/184615180.db2.gz UPEHFHCMMCORSP-UHFFFAOYSA-N 0 3 290.454 2.278 10 0 CEAEHN CCCCCN(CCCCC)C(=O)[C@@H]1COC[C@H]1NC ZINC000090435235 184616369 /nfs/dbraw/zinc/61/63/69/184616369.db2.gz XXVODCIBDVZRDO-HUUCEWRRSA-N 0 3 284.444 2.430 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](Sc1cnccn1)C2 ZINC000092860773 184632629 /nfs/dbraw/zinc/63/26/29/184632629.db2.gz KTOMSSZQEBFINJ-JSGCOSHPSA-N 0 3 273.361 2.202 10 0 CEAEHN CCN[C@H](CN1C(=O)CC(C)CC1=O)c1ccc(C)cc1 ZINC000093356572 184666909 /nfs/dbraw/zinc/66/69/09/184666909.db2.gz WDWCDZDUONMPAE-OAHLLOKOSA-N 0 3 288.391 2.431 10 0 CEAEHN N=C(N)c1c(F)cccc1OCc1ccc2c(c1)OCO2 ZINC000093409078 184671677 /nfs/dbraw/zinc/67/16/77/184671677.db2.gz JQWSPIVQXKWFQR-UHFFFAOYSA-N 0 3 288.278 2.417 10 0 CEAEHN N=C(N)c1cccc(N2CCCc3ccccc3C2)n1 ZINC000081621299 177832840 /nfs/dbraw/zinc/83/28/40/177832840.db2.gz HZKLCAGQPLYANV-UHFFFAOYSA-N 0 3 266.348 2.318 10 0 CEAEHN C[C@@H]1CCC[C@](N)(C(=O)N(C)Cc2cscn2)C1 ZINC000080929202 177732028 /nfs/dbraw/zinc/73/20/28/177732028.db2.gz LEVBJPOROWVWLP-ZWNOBZJWSA-N 0 3 267.398 2.009 10 0 CEAEHN CCN[C@H](c1ccoc1)[C@H]1CN(C(C)C)CCO1 ZINC000093928141 184744012 /nfs/dbraw/zinc/74/40/12/184744012.db2.gz PRPKCCBRZXCLJW-ZIAGYGMSSA-N 0 3 252.358 2.039 10 0 CEAEHN CCCN[C@H](c1ccoc1)[C@@H]1CN(C(C)C)CCO1 ZINC000093928845 184744746 /nfs/dbraw/zinc/74/47/46/184744746.db2.gz PAURPPGTYWTACY-LSDHHAIUSA-N 0 3 266.385 2.430 10 0 CEAEHN CCOC(=O)C[C@@](C)(N)c1ccccc1OCC ZINC000094290135 184776723 /nfs/dbraw/zinc/77/67/23/184776723.db2.gz VNYFCGPOHWJCPE-CQSZACIVSA-N 0 3 251.326 2.212 10 0 CEAEHN CN[C@H](Cc1ncnn1C(C)C)c1ccc(Cl)cn1 ZINC000094844070 184879404 /nfs/dbraw/zinc/87/94/04/184879404.db2.gz JGIMKUNBFITRGO-GFCCVEGCSA-N 0 3 279.775 2.411 10 0 CEAEHN CN[C@@H](c1cc(OC)cc(OC)c1)[C@H]1CSCCO1 ZINC000094651668 184835176 /nfs/dbraw/zinc/83/51/76/184835176.db2.gz HCORKGIISPXXIU-KGLIPLIRSA-N 0 3 283.393 2.096 10 0 CEAEHN Cc1csc(Cn2ncc(CNC3CC3)c2C)n1 ZINC000094978744 184910047 /nfs/dbraw/zinc/91/00/47/184910047.db2.gz SSAHRTODARDPBA-UHFFFAOYSA-N 0 3 262.382 2.257 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)[C@H](CC)CN1 ZINC000095046678 184924151 /nfs/dbraw/zinc/92/41/51/184924151.db2.gz ORSHOTONFYKTTO-CHWSQXEVSA-N 0 3 296.361 2.496 10 0 CEAEHN C[C@@H](NCCn1cncn1)c1ccc(Cl)s1 ZINC000167006631 533407740 /nfs/dbraw/zinc/40/77/40/533407740.db2.gz UOCBJOKQDOYIDN-MRVPVSSYSA-N 0 3 256.762 2.344 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000247081718 131099975 /nfs/dbraw/zinc/09/99/75/131099975.db2.gz CZYPDUAQTVRFPF-IJLUTSLNSA-N 0 3 294.345 2.231 10 0 CEAEHN C[S@@](=O)Cc1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000262445037 131221313 /nfs/dbraw/zinc/22/13/13/131221313.db2.gz CDMQVGHSIWYYDS-HXUWFJFHSA-N 0 3 294.420 2.165 10 0 CEAEHN C[C@H](N)c1cc(F)ccc1N1CCOC(C)(C)C1 ZINC000036232648 134813930 /nfs/dbraw/zinc/81/39/30/134813930.db2.gz GKGVWBWOOWGKFC-JTQLQIEISA-N 0 3 252.333 2.461 10 0 CEAEHN COc1cc(N2CCNC[C@@H]2C)c(OC)cc1Cl ZINC000083517934 135026861 /nfs/dbraw/zinc/02/68/61/135026861.db2.gz VIVDRCSDDFRPAT-VIFPVBQESA-N 0 3 270.760 2.155 10 0 CEAEHN CCCNCCS(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000088914920 135057630 /nfs/dbraw/zinc/05/76/30/135057630.db2.gz AZBQEADDJFIOKE-ZDUSSCGKSA-N 0 3 296.436 2.157 10 0 CEAEHN NCc1ccc(Cl)cc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905346 135065820 /nfs/dbraw/zinc/06/58/20/135065820.db2.gz WHZUJRDNMBXXMG-TXEJJXNPSA-N 0 3 252.745 2.166 10 0 CEAEHN CC(C)NCc1cncc(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000091418821 135069505 /nfs/dbraw/zinc/06/95/05/135069505.db2.gz WXZJKQFPNXTFMP-BETUJISGSA-N 0 3 262.401 2.457 10 0 CEAEHN C[C@@H]1CCc2ccccc2N1C[C@@H]1Cc2nc[nH]c2CN1 ZINC000092798442 135077337 /nfs/dbraw/zinc/07/73/37/135077337.db2.gz HFEBJQVEPKFDCH-OCCSQVGLSA-N 0 3 282.391 2.265 10 0 CEAEHN COC(=O)C(C)(C)CN1CCN(c2ccc(F)cc2)CC1 ZINC000093718107 135082090 /nfs/dbraw/zinc/08/20/90/135082090.db2.gz CZMWVNTYSMXILG-UHFFFAOYSA-N 0 3 294.370 2.147 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC3(CCC3)C2)C1 ZINC000246693823 394520397 /nfs/dbraw/zinc/52/03/97/394520397.db2.gz RNCPFSCGRFFATA-UONOGXRCSA-N 0 3 279.428 2.301 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCCC[C@@H](C)C2)C1 ZINC000249419148 394554846 /nfs/dbraw/zinc/55/48/46/394554846.db2.gz HFQANORNPAHPJP-KGLIPLIRSA-N 0 3 267.417 2.302 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCSC(C)(C)C2)[C@@H](C)C1 ZINC000132278267 394927238 /nfs/dbraw/zinc/92/72/38/394927238.db2.gz DMPWTAOBYVRNCQ-STQMWFEESA-N 0 3 299.484 2.252 10 0 CEAEHN c1ccc(CCN2CC[C@H](Oc3cccnc3)C2)nc1 ZINC000152220833 394990832 /nfs/dbraw/zinc/99/08/32/394990832.db2.gz WTEKWLSRJJWUTH-INIZCTEOSA-N 0 3 269.348 2.172 10 0 CEAEHN CC(C)(C)OCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152315968 394993548 /nfs/dbraw/zinc/99/35/48/394993548.db2.gz ZYTYPJYTWAESHL-CQSZACIVSA-N 0 3 264.369 2.350 10 0 CEAEHN CO[C@H]1C[C@@H](C(N)=O)N(Cc2c(C)ccc3ccccc32)C1 ZINC000344510618 395056148 /nfs/dbraw/zinc/05/61/48/395056148.db2.gz LHOGAGNFTZTQFJ-YOEHRIQHSA-N 0 3 298.386 2.223 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)CSC(F)(F)F ZINC000175006629 395130101 /nfs/dbraw/zinc/13/01/01/395130101.db2.gz OQCPTXDRYPEYLH-VHSXEESVSA-N 0 3 296.358 2.325 10 0 CEAEHN COc1ccc(CN2C[C@H](O)CC[C@@H]2C)cc1OC ZINC000399303474 395244041 /nfs/dbraw/zinc/24/40/41/395244041.db2.gz YDTYLGZVHAONLH-WCQYABFASA-N 0 3 265.353 2.049 10 0 CEAEHN CC(C)C1(NCC(=O)N2CCc3sccc3C2)CC1 ZINC000292976011 395212409 /nfs/dbraw/zinc/21/24/09/395212409.db2.gz KSTCNQININDMIZ-UHFFFAOYSA-N 0 3 278.421 2.411 10 0 CEAEHN CSC1(CNC(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000194902521 395452919 /nfs/dbraw/zinc/45/29/19/395452919.db2.gz UJVIORGTDULAIK-GFCCVEGCSA-N 0 3 287.473 2.158 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000037006737 400113277 /nfs/dbraw/zinc/11/32/77/400113277.db2.gz LYEMPQPBCKQEEW-LDYMZIIASA-N 0 3 285.185 2.364 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000155498814 289175358 /nfs/dbraw/zinc/17/53/58/289175358.db2.gz YUDAQOPUCHOVCQ-OCCSQVGLSA-N 0 3 252.402 2.412 10 0 CEAEHN COc1c(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)nn1C ZINC000403345169 289289789 /nfs/dbraw/zinc/28/97/89/289289789.db2.gz JUEMGDUBDBTTIM-UPJWGTAASA-N 0 3 263.385 2.263 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C2(Cc3ccccc3F)CC2)C1 ZINC000188439406 153054456 /nfs/dbraw/zinc/05/44/56/153054456.db2.gz GXASBGCUMFYOCA-AWEZNQCLSA-N 0 3 290.382 2.311 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)CC(C)(C)CC(C)=O ZINC000191884214 153194461 /nfs/dbraw/zinc/19/44/61/153194461.db2.gz WCRBYOQRDIWDFD-HUUCEWRRSA-N 0 3 294.439 2.467 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H](C)c2cccc(O)c2)C1 ZINC000192344583 153208009 /nfs/dbraw/zinc/20/80/09/153208009.db2.gz DFASUYHEWRLXDH-OCCSQVGLSA-N 0 3 291.395 2.237 10 0 CEAEHN Cc1ccc(SCC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195310284 153281621 /nfs/dbraw/zinc/28/16/21/153281621.db2.gz UOSLXMLPKDNEEX-CQSZACIVSA-N 0 3 290.432 2.394 10 0 CEAEHN C/C(=C\C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000195190672 153283743 /nfs/dbraw/zinc/28/37/43/153283743.db2.gz KPFLVFGCYYPLRE-WCRPCQDQSA-N 0 3 270.376 2.397 10 0 CEAEHN CC(=O)NCCCN1CCC[C@H](c2nc(C)cs2)C1 ZINC000195338809 153287143 /nfs/dbraw/zinc/28/71/43/153287143.db2.gz NUAZKEFDKUPFSK-ZDUSSCGKSA-N 0 3 281.425 2.157 10 0 CEAEHN CCCc1nc(C)c(C(=O)N2CCN3CCC[C@H]3C2)s1 ZINC000195332145 153287151 /nfs/dbraw/zinc/28/71/51/153287151.db2.gz RODCAKQBIBKSGP-LBPRGKRZSA-N 0 3 293.436 2.324 10 0 CEAEHN COc1c(CNC[C@H]2CCC[C@H]2C)c(C)nn1C ZINC000230663112 153397959 /nfs/dbraw/zinc/39/79/59/153397959.db2.gz OXRWCBCDAHZSKH-ZYHUDNBSSA-N 0 3 251.374 2.263 10 0 CEAEHN COCc1ccsc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000245515228 153505980 /nfs/dbraw/zinc/50/59/80/153505980.db2.gz DGFANCSGJBYFOK-AAEUAGOBSA-N 0 3 294.420 2.203 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(CC2CCCCCC2)n1 ZINC000263187030 154031864 /nfs/dbraw/zinc/03/18/64/154031864.db2.gz HLYBUJDXMPMNMU-CYBMUJFWSA-N 0 3 278.400 2.159 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000165327423 162344683 /nfs/dbraw/zinc/34/46/83/162344683.db2.gz QJQGKKMXAYVODX-ZDUSSCGKSA-N 0 3 276.384 2.138 10 0 CEAEHN COc1c(CNC[C@@H]2CCCCS2)c(C)nn1C ZINC000168139909 162363642 /nfs/dbraw/zinc/36/36/42/162363642.db2.gz STEFIZPBDDZNQI-NSHDSACASA-N 0 3 269.414 2.112 10 0 CEAEHN CCOc1c(F)cccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000173046104 162424142 /nfs/dbraw/zinc/42/41/42/162424142.db2.gz UIGWDHRLDXJGFQ-NSHDSACASA-N 0 3 280.343 2.001 10 0 CEAEHN O=C(NCc1ccc(Cl)s1)N1CCN2CCC[C@H]2C1 ZINC000171901822 165053965 /nfs/dbraw/zinc/05/39/65/165053965.db2.gz OOYDISCTYMFKQC-JTQLQIEISA-N 0 3 299.827 2.391 10 0 CEAEHN C[C@H](Cc1ccccc1F)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000172349722 165059485 /nfs/dbraw/zinc/05/94/85/165059485.db2.gz GEVOMBPYOLYYPS-UKRRQHHQSA-N 0 3 290.382 2.311 10 0 CEAEHN C[C@H]1CN(c2ccnc3ccccc32)C[C@@H]1N1CCOCC1 ZINC000176705611 165170048 /nfs/dbraw/zinc/17/00/48/165170048.db2.gz ROYKKHVCNXLANI-KSSFIOAISA-N 0 3 297.402 2.392 10 0 CEAEHN COc1csc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000176835505 165178846 /nfs/dbraw/zinc/17/88/46/165178846.db2.gz DKHZXSZQLXIFHV-GHMZBOCLSA-N 0 3 280.393 2.065 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC000177004779 165182889 /nfs/dbraw/zinc/18/28/89/165182889.db2.gz MKDXVHAQYZRVSR-NSHDSACASA-N 0 3 282.409 2.313 10 0 CEAEHN Cc1ncsc1CCN1CCN2CCCC[C@@H]2C1 ZINC000177761028 165205743 /nfs/dbraw/zinc/20/57/43/165205743.db2.gz FMJDDPIDLPOYMI-CYBMUJFWSA-N 0 3 265.426 2.164 10 0 CEAEHN C(c1noc(C2CCCCC2)n1)N1CCN2CCC[C@@H]2C1 ZINC000178974915 165268800 /nfs/dbraw/zinc/26/88/00/165268800.db2.gz HEFHWAWINDRQAZ-CQSZACIVSA-N 0 3 290.411 2.397 10 0 CEAEHN Cc1ccc(F)cc1CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000180098982 165297349 /nfs/dbraw/zinc/29/73/49/165297349.db2.gz WALBEADZHUGNLF-ZIAGYGMSSA-N 0 3 280.387 2.021 10 0 CEAEHN C[C@@H]1CC2(CCC2)CN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000334551772 287235556 /nfs/dbraw/zinc/23/55/56/287235556.db2.gz YRJWWEODYIQSGZ-HIFRSBDPSA-N 0 3 292.423 2.031 10 0 CEAEHN CCCCc1ccc([C@@H](C)NCCNS(C)(=O)=O)cc1 ZINC000020203789 171068261 /nfs/dbraw/zinc/06/82/61/171068261.db2.gz SSLDCGTYGSGXJX-CYBMUJFWSA-N 0 3 298.452 2.229 10 0 CEAEHN COc1cc(CN[C@@H](C)[C@@H]2CCCO2)ccc1O ZINC000020205284 171070439 /nfs/dbraw/zinc/07/04/39/171070439.db2.gz BRILEKGHWSUNSH-GWCFXTLKSA-N 0 3 251.326 2.058 10 0 CEAEHN CCOc1ccc(N(CCN)C(=O)C(C)C)cc1 ZINC000020236196 171096380 /nfs/dbraw/zinc/09/63/80/171096380.db2.gz JJVQEJJBUNPFPA-UHFFFAOYSA-N 0 3 250.342 2.033 10 0 CEAEHN CN(Cc1cccc(F)c1)[C@@H](CN)c1ccccn1 ZINC000020266506 171123630 /nfs/dbraw/zinc/12/36/30/171123630.db2.gz WVBHPSJTJNRXEK-HNNXBMFYSA-N 0 3 259.328 2.353 10 0 CEAEHN c1ccc2sc(CN[C@H]3CN4CCC3CC4)nc2c1 ZINC000020309898 171144026 /nfs/dbraw/zinc/14/40/26/171144026.db2.gz CBZBXAKQFTZIEN-ZDUSSCGKSA-N 0 3 273.405 2.480 10 0 CEAEHN COc1ccccc1[C@@H](N)c1ccc2c(c1)CC(=O)N2C ZINC000020431204 171196125 /nfs/dbraw/zinc/19/61/25/171196125.db2.gz DMHJORPEEWTPHY-KRWDZBQOSA-N 0 3 282.343 2.262 10 0 CEAEHN CCNCc1cccc(OC)c1OCC(=O)NC(C)(C)C ZINC000020872649 171277163 /nfs/dbraw/zinc/27/71/63/171277163.db2.gz VFCCZTJQBPSHDS-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN CCN(CC)[C@@H](CN)c1ccc(Br)o1 ZINC000022171549 171368093 /nfs/dbraw/zinc/36/80/93/171368093.db2.gz JYWMQOXRXCASLJ-QMMMGPOBSA-N 0 3 261.163 2.384 10 0 CEAEHN Cc1nn(C)c(N2CCC[C@@H](C)C2)c1CNC(C)C ZINC000034823319 171877311 /nfs/dbraw/zinc/87/73/11/171877311.db2.gz WICOPROEUYREGY-GFCCVEGCSA-N 0 3 264.417 2.463 10 0 CEAEHN COC(=O)c1c2c(sc1NC(=O)C(C)(C)C)CNCC2 ZINC000035216882 172057620 /nfs/dbraw/zinc/05/76/20/172057620.db2.gz NHNKKOJIFSDXHN-UHFFFAOYSA-N 0 3 296.392 2.165 10 0 CEAEHN N[C@H](Cc1ncc[nH]1)c1ccc(Br)o1 ZINC000035382275 172164367 /nfs/dbraw/zinc/16/43/67/172164367.db2.gz NIEIEDJILUPLJD-ZCFIWIBFSA-N 0 3 256.103 2.008 10 0 CEAEHN CNCc1c(N2CCCC[C@@H]2C)nc2sccn12 ZINC000035429603 172198354 /nfs/dbraw/zinc/19/83/54/172198354.db2.gz TXOIFLHRIHZVDD-JTQLQIEISA-N 0 3 264.398 2.494 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@H](N)[C@H](c2cccc(F)c2)C1 ZINC000035571749 172267258 /nfs/dbraw/zinc/26/72/58/172267258.db2.gz PODWONBIEUIEAX-STQMWFEESA-N 0 3 280.343 2.487 10 0 CEAEHN CN[C@@H]1CCCS(=O)(=O)c2ccc(Cl)cc21 ZINC000035760873 172399623 /nfs/dbraw/zinc/39/96/23/172399623.db2.gz HAHKDNXZSYFBTG-SNVBAGLBSA-N 0 3 259.758 2.168 10 0 CEAEHN Cc1cnn(C)c1CN[C@H](CN(C)C)c1ccccc1 ZINC000285565906 196329723 /nfs/dbraw/zinc/32/97/23/196329723.db2.gz VSZWKBCHEVXHLR-OAHLLOKOSA-N 0 3 272.396 2.121 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc3cc(F)ccc3s2)C1 ZINC000037205134 173027575 /nfs/dbraw/zinc/02/75/75/173027575.db2.gz PWPGGJIZUWAGER-WPRPVWTQSA-N 0 3 252.314 2.485 10 0 CEAEHN CN([C@@H](CN)c1cc(F)ccc1F)[C@@H]1CCSC1 ZINC000037233643 173051921 /nfs/dbraw/zinc/05/19/21/173051921.db2.gz NUAYQQSJLGJUQD-MFKMUULPSA-N 0 3 272.364 2.402 10 0 CEAEHN CC[C@H](N[C@H](C)C(N)=O)c1cccc(Br)c1 ZINC000037261420 173070804 /nfs/dbraw/zinc/07/08/04/173070804.db2.gz RMFQZYFQZZTOHW-KCJUWKMLSA-N 0 3 285.185 2.364 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc3ccccc3n2C2CC2)C1 ZINC000037323689 173124490 /nfs/dbraw/zinc/12/44/90/173124490.db2.gz YWKGLTGAOPARSE-DGCLKSJQSA-N 0 3 257.337 2.421 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000037388699 173172387 /nfs/dbraw/zinc/17/23/87/173172387.db2.gz XQXPOSSGCWWGJO-VIFPVBQESA-N 0 3 298.770 2.453 10 0 CEAEHN COC(=O)CCCNCc1cc(C)ccc1OC ZINC000037395175 173175340 /nfs/dbraw/zinc/17/53/40/173175340.db2.gz HIWZTVBHNUFRNO-UHFFFAOYSA-N 0 3 251.326 2.046 10 0 CEAEHN COC(=O)CCCNCc1ccc(Br)cc1 ZINC000037395167 173175521 /nfs/dbraw/zinc/17/55/21/173175521.db2.gz PONKWQMTLXDEQQ-UHFFFAOYSA-N 0 3 286.169 2.492 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc3c(cccc3Cl)[nH]2)C1 ZINC000037443849 173212437 /nfs/dbraw/zinc/21/24/37/173212437.db2.gz CCQIBJVIMAXOIU-XVKPBYJWSA-N 0 3 251.717 2.266 10 0 CEAEHN CNCC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000037495852 173234744 /nfs/dbraw/zinc/23/47/44/173234744.db2.gz RCSQZMYWPUSKPC-UHFFFAOYSA-N 0 3 264.350 2.089 10 0 CEAEHN CC(C)NCC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000037495731 173234905 /nfs/dbraw/zinc/23/49/05/173234905.db2.gz RKOOOVJZFZBDBB-UHFFFAOYSA-N 0 3 278.274 2.169 10 0 CEAEHN C[C@H](CNC(=O)c1cc(F)ccc1N)N1CCCCC1 ZINC000038029415 174020649 /nfs/dbraw/zinc/02/06/49/174020649.db2.gz QJMJFBBVLQBYCT-LLVKDONJSA-N 0 3 279.359 2.012 10 0 CEAEHN COc1nc2sccn2c1CNCC[C@H]1CCCO1 ZINC000038054767 174066352 /nfs/dbraw/zinc/06/63/52/174066352.db2.gz IQGBFECTRQLNMJ-SNVBAGLBSA-N 0 3 281.381 2.063 10 0 CEAEHN COc1nc2sccn2c1CNCC[C@@H]1CCCO1 ZINC000038054766 174066536 /nfs/dbraw/zinc/06/65/36/174066536.db2.gz IQGBFECTRQLNMJ-JTQLQIEISA-N 0 3 281.381 2.063 10 0 CEAEHN C[C@H](Cc1ccco1)NCc1ccccc1C(N)=O ZINC000038093046 174106758 /nfs/dbraw/zinc/10/67/58/174106758.db2.gz AOEMVUULZHUCCF-LLVKDONJSA-N 0 3 258.321 2.099 10 0 CEAEHN C[C@@H](N[C@@H](C)Cc1ccco1)C(=O)N1CCCCC1 ZINC000038092873 174106766 /nfs/dbraw/zinc/10/67/66/174106766.db2.gz YAXXWDBAQNSJTL-QWHCGFSZSA-N 0 3 264.369 2.201 10 0 CEAEHN O=C([C@@H]1CCCCN1)N(Cc1ccsc1)C1CC1 ZINC000040492062 174292757 /nfs/dbraw/zinc/29/27/57/174292757.db2.gz JOCKGXLMCMSYON-ZDUSSCGKSA-N 0 3 264.394 2.381 10 0 CEAEHN CCCO[C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000040501407 174297662 /nfs/dbraw/zinc/29/76/62/174297662.db2.gz CSBZWGAEHHUFHO-CYBMUJFWSA-N 0 3 268.401 2.066 10 0 CEAEHN CCN1CCC[C@@H](NCc2cccc3c2OCCCO3)C1 ZINC000040502664 174299020 /nfs/dbraw/zinc/29/90/20/174299020.db2.gz ORZQUVYMVJYXTA-OAHLLOKOSA-N 0 3 290.407 2.422 10 0 CEAEHN COC(=O)[C@@H](C)CN[C@@H](C)c1sc(C)nc1C ZINC000040518635 174307744 /nfs/dbraw/zinc/30/77/44/174307744.db2.gz SJIZRMPGQFLILX-YUMQZZPRSA-N 0 3 256.371 2.220 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)[C@@](C)(N)C2CC2)s1 ZINC000040519121 174308348 /nfs/dbraw/zinc/30/83/48/174308348.db2.gz OEQYYMLWZUAYLH-SDBXPKJASA-N 0 3 267.398 2.065 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000040629935 174358026 /nfs/dbraw/zinc/35/80/26/174358026.db2.gz JCLMZGGIDIIKRE-KBPBESRZSA-N 0 3 276.380 2.300 10 0 CEAEHN COc1ccc(-c2c[nH]c([C@H]3C[C@@H](OC)CN3)n2)cc1 ZINC000040637886 174361727 /nfs/dbraw/zinc/36/17/27/174361727.db2.gz ZZXGEUULKASWIA-CHWSQXEVSA-N 0 3 273.336 2.135 10 0 CEAEHN COc1ccc(C)cc1-c1c[nH]c([C@@H]2C[C@H](OC)CN2)n1 ZINC000040637855 174361742 /nfs/dbraw/zinc/36/17/42/174361742.db2.gz BAVDSWXRZJJUBU-AAEUAGOBSA-N 0 3 287.363 2.443 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccc(F)c(F)c3)c[nH]2)C1 ZINC000040637848 174361906 /nfs/dbraw/zinc/36/19/06/174361906.db2.gz CFBGBNZTGJBCMY-JOYOIKCWSA-N 0 3 279.290 2.404 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2ccc(F)c(F)c2)CC1 ZINC000040689109 174375652 /nfs/dbraw/zinc/37/56/52/174375652.db2.gz GAYXCGRGZCZRNP-HNNXBMFYSA-N 0 3 284.350 2.466 10 0 CEAEHN CC(C)[C@H](C(=O)[O-])[NH+]1CCC(N2CCCCC2)CC1 ZINC000040694149 174377770 /nfs/dbraw/zinc/37/77/70/174377770.db2.gz WYYSJZRYABVVIR-CQSZACIVSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)[C@H](C(=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000040694149 174377771 /nfs/dbraw/zinc/37/77/71/174377771.db2.gz WYYSJZRYABVVIR-CQSZACIVSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)COc1nc(N[C@@H]2CCCN(C)C2)ccc1N ZINC000040715766 174382608 /nfs/dbraw/zinc/38/26/08/174382608.db2.gz WUGLACWUJVVFKU-GFCCVEGCSA-N 0 3 278.400 2.205 10 0 CEAEHN CN1CCC[C@@H](Nc2ccc(N)c3cccnc23)C1 ZINC000040715783 174382825 /nfs/dbraw/zinc/38/28/25/174382825.db2.gz BGFYSYKQOFYIPJ-LLVKDONJSA-N 0 3 256.353 2.323 10 0 CEAEHN Cc1nn(CCC(=O)Nc2ccccc2CN)c(C)c1C ZINC000040728961 174388307 /nfs/dbraw/zinc/38/83/07/174388307.db2.gz CUJGKXUUFBAVJJ-UHFFFAOYSA-N 0 3 286.379 2.296 10 0 CEAEHN Cc1cccc(C(=O)NCCN2CCC(C)CC2)c1N ZINC000040770867 174399785 /nfs/dbraw/zinc/39/97/85/174399785.db2.gz RJMTWCPDWFSGSH-UHFFFAOYSA-N 0 3 275.396 2.039 10 0 CEAEHN CN(C(=O)c1cccc(F)c1Cl)[C@H](CN)C(F)(F)F ZINC000662978948 414817214 /nfs/dbraw/zinc/81/72/14/414817214.db2.gz JZFDLZKLYSVAJJ-MRVPVSSYSA-N 0 3 298.667 2.441 10 0 CEAEHN CN(C(=O)CCCc1ccccc1)[C@@H](CN)C(F)(F)F ZINC000662977525 414817303 /nfs/dbraw/zinc/81/73/03/414817303.db2.gz LAHJJRUOELUMHW-LBPRGKRZSA-N 0 3 288.313 2.357 10 0 CEAEHN CC(C)(C)[C@@H]1CN(C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC000660441580 414822952 /nfs/dbraw/zinc/82/29/52/414822952.db2.gz GHIYRESFATWVLT-MJBXVCDLSA-N 0 3 255.402 2.284 10 0 CEAEHN CN(C[C@@H]1CCCCO1)c1ccc(F)cc1CN ZINC000042465122 174753823 /nfs/dbraw/zinc/75/38/23/174753823.db2.gz RRXQIUFODHIZOK-ZDUSSCGKSA-N 0 3 252.333 2.290 10 0 CEAEHN Cc1nn(C)c(N2CCc3sccc3[C@H]2C)c1CN ZINC000042777770 174874951 /nfs/dbraw/zinc/87/49/51/174874951.db2.gz DVTCHXISZYZHDI-SNVBAGLBSA-N 0 3 276.409 2.372 10 0 CEAEHN CC[C@@H](N)[C@H](c1cccs1)N(C)CC(=O)N(CC)CC ZINC000043105821 174971229 /nfs/dbraw/zinc/97/12/29/174971229.db2.gz OECIOYICVFPEJL-IUODEOHRSA-N 0 3 297.468 2.327 10 0 CEAEHN C[C@H](N)[C@H](c1ccc(Cl)s1)N1CCC(O)CC1 ZINC000043251889 174994729 /nfs/dbraw/zinc/99/47/29/174994729.db2.gz ATVQELWINWWREG-QPUJVOFHSA-N 0 3 274.817 2.247 10 0 CEAEHN CCN[C@H](c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300788 175001589 /nfs/dbraw/zinc/00/15/89/175001589.db2.gz DRIHAVOIFZVQPZ-DZGCQCFKSA-N 0 3 297.420 2.171 10 0 CEAEHN CCN[C@@H](c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300915 175001659 /nfs/dbraw/zinc/00/16/59/175001659.db2.gz NCBPLSPDYIISCK-KBPBESRZSA-N 0 3 267.394 2.080 10 0 CEAEHN CCCN[C@H](c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301216 175002148 /nfs/dbraw/zinc/00/21/48/175002148.db2.gz XNLPUWPBDOVTEC-GXTWGEPZSA-N 0 3 285.384 2.301 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)CNC(C)C)c1 ZINC000043318639 175005529 /nfs/dbraw/zinc/00/55/29/175005529.db2.gz RVQZSQCUOIBTIU-UHFFFAOYSA-N 0 3 256.733 2.285 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)CNCC2CC2)c1 ZINC000043318645 175005836 /nfs/dbraw/zinc/00/58/36/175005836.db2.gz SQORNYZBHULRHN-UHFFFAOYSA-N 0 3 268.744 2.287 10 0 CEAEHN CCCN(C(=O)c1cc(OC)ccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC000043327786 175009104 /nfs/dbraw/zinc/00/91/04/175009104.db2.gz WPZCUBGRZUKPQL-GFCCVEGCSA-N 0 3 292.379 2.005 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccco1)N1CCOCC1(C)C ZINC000043335708 175010906 /nfs/dbraw/zinc/01/09/06/175010906.db2.gz SMIIOMCLRCZNCI-YPMHNXCESA-N 0 3 252.358 2.169 10 0 CEAEHN NC[C@H](OCc1ccc2c(c1)OCO2)c1cccnc1 ZINC000043350258 175019158 /nfs/dbraw/zinc/01/91/58/175019158.db2.gz NXNGIRZQSIAWJI-HNNXBMFYSA-N 0 3 272.304 2.027 10 0 CEAEHN COc1ccc(CO[C@@H](CN)c2cccnc2)cc1 ZINC000043350592 175019576 /nfs/dbraw/zinc/01/95/76/175019576.db2.gz KQGATQXRSSIVHQ-HNNXBMFYSA-N 0 3 258.321 2.307 10 0 CEAEHN COCCN([C@@H](c1ccc(C)o1)[C@@H](C)N)C1CC1 ZINC000043364910 175025256 /nfs/dbraw/zinc/02/52/56/175025256.db2.gz GEGAUGCNZZPDAT-BXUZGUMPSA-N 0 3 252.358 2.087 10 0 CEAEHN Cc1ccc([C@@H]([C@H](C)N)N(C)C[C@@H]2CCCO2)o1 ZINC000043364762 175025321 /nfs/dbraw/zinc/02/53/21/175025321.db2.gz WMSJEPCJJMSSMT-SGMGOOAPSA-N 0 3 252.358 2.087 10 0 CEAEHN Cc1ccc([C@H]([C@@H](C)N)N(C)C[C@@H]2CCCO2)o1 ZINC000043364761 175025689 /nfs/dbraw/zinc/02/56/89/175025689.db2.gz WMSJEPCJJMSSMT-DYEKYZERSA-N 0 3 252.358 2.087 10 0 CEAEHN Brc1cnc2[n-]c([C@@H]3CCC[NH2+]3)nc2c1 ZINC000043460868 175051768 /nfs/dbraw/zinc/05/17/68/175051768.db2.gz YOIXUHCFXOSABY-ZETCQYMHSA-N 0 3 267.130 2.145 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@H]1N1CCC(C)CC1 ZINC000043806520 175108355 /nfs/dbraw/zinc/10/83/55/175108355.db2.gz DTSRQDRLTQYOLM-GDBMZVCRSA-N 0 3 260.381 2.440 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811559 175111147 /nfs/dbraw/zinc/11/11/47/175111147.db2.gz HJUBLTTUBHVXSX-IARIHHJXSA-N 0 3 290.407 2.207 10 0 CEAEHN CCN(C[C@H](NC)c1ccc(OC)cc1OC)C1CC1 ZINC000043821247 175114626 /nfs/dbraw/zinc/11/46/26/175114626.db2.gz APJZXWVXTHZHCR-HNNXBMFYSA-N 0 3 278.396 2.449 10 0 CEAEHN CCCN(C)C[C@@H](NC)c1ccc(OC)c(OC)c1 ZINC000043885951 175116447 /nfs/dbraw/zinc/11/64/47/175116447.db2.gz SXWQCVSJRFHFFT-CYBMUJFWSA-N 0 3 266.385 2.306 10 0 CEAEHN CCCOc1ccc([C@@H](CN2CCOC[C@@H]2C)NC)cc1 ZINC000043891163 175117973 /nfs/dbraw/zinc/11/79/73/175117973.db2.gz MQQUMIMPZPYFHV-WMLDXEAASA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@@H](CN1CC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000043908143 175123332 /nfs/dbraw/zinc/12/33/32/175123332.db2.gz HJAQBHKQWCNOCE-YPMHNXCESA-N 0 3 262.353 2.018 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966485 175127721 /nfs/dbraw/zinc/12/77/21/175127721.db2.gz YBKHZTAMBXGAPF-YSVLISHTSA-N 0 3 290.407 2.209 10 0 CEAEHN Cc1cc(-c2csc(N3CCNCC3)n2)c(C)o1 ZINC000044494143 175181834 /nfs/dbraw/zinc/18/18/34/175181834.db2.gz ZTFJQRSMTZLDOZ-UHFFFAOYSA-N 0 3 263.366 2.430 10 0 CEAEHN CCC(CC)(C(N)=S)C(=O)N[C@H](C)CN1CCCCC1 ZINC000044780123 175253090 /nfs/dbraw/zinc/25/30/90/175253090.db2.gz VUTXFGQDKFSZLQ-GFCCVEGCSA-N 0 3 299.484 2.070 10 0 CEAEHN NC[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000044795269 175254685 /nfs/dbraw/zinc/25/46/85/175254685.db2.gz ZKLPFSQCXCNTRW-CQSZACIVSA-N 0 3 260.381 2.253 10 0 CEAEHN C[C@@H](NC(=O)[C@H](CN)Cc1ccccc1)c1ccccn1 ZINC000044801182 175255403 /nfs/dbraw/zinc/25/54/03/175255403.db2.gz YVFMJNVWHAAFKD-HIFRSBDPSA-N 0 3 283.375 2.076 10 0 CEAEHN C[C@H](NC(=O)[C@H](CN)Cc1ccccc1)c1ccccn1 ZINC000044801180 175255665 /nfs/dbraw/zinc/25/56/65/175255665.db2.gz YVFMJNVWHAAFKD-ZFWWWQNUSA-N 0 3 283.375 2.076 10 0 CEAEHN CCC[C@@H](C)N(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044802062 175255786 /nfs/dbraw/zinc/25/57/86/175255786.db2.gz NNEZEQLWFWSNOP-HIFRSBDPSA-N 0 3 262.397 2.451 10 0 CEAEHN CC[C@@H]1CCCN(C(=O)[C@H](CN)Cc2ccccc2)C1 ZINC000044802127 175255819 /nfs/dbraw/zinc/25/58/19/175255819.db2.gz DZXRRBQPVYNBSC-ZBFHGGJFSA-N 0 3 274.408 2.453 10 0 CEAEHN CCN(CC(F)(F)F)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044808077 175256861 /nfs/dbraw/zinc/25/68/61/175256861.db2.gz SBWKGKQDHNXNIS-LBPRGKRZSA-N 0 3 288.313 2.215 10 0 CEAEHN CC(C)N(CC1CC1)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044807693 175257141 /nfs/dbraw/zinc/25/71/41/175257141.db2.gz YTLQHNMZVUJLKY-INIZCTEOSA-N 0 3 274.408 2.451 10 0 CEAEHN C[C@@H](CNc1ncccc1C(N)=S)N1CCCCC1 ZINC000045010036 175289469 /nfs/dbraw/zinc/28/94/69/175289469.db2.gz ZIDCVFOKMOKFBE-NSHDSACASA-N 0 3 278.425 2.002 10 0 CEAEHN C[C@H](CNC(=O)Nc1cccc(N)c1)N1CCCCC1 ZINC000045011764 175290083 /nfs/dbraw/zinc/29/00/83/175290083.db2.gz MJXAJKQCBAQGNL-GFCCVEGCSA-N 0 3 276.384 2.265 10 0 CEAEHN Cn1ccnc1CCNCc1nc2ccccc2s1 ZINC000045134283 175312834 /nfs/dbraw/zinc/31/28/34/175312834.db2.gz FLQHRLQDJXEUGZ-UHFFFAOYSA-N 0 3 272.377 2.362 10 0 CEAEHN CC[C@@H](NC)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138177 175314498 /nfs/dbraw/zinc/31/44/98/175314498.db2.gz SJTDSYQBEAIXJS-ZIAGYGMSSA-N 0 3 296.436 2.434 10 0 CEAEHN CCN[C@H](C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138152 175314649 /nfs/dbraw/zinc/31/46/49/175314649.db2.gz OOXLYFUQYPMFPF-BXUZGUMPSA-N 0 3 296.436 2.434 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NC[C@H]1CCCCN1C ZINC000045172749 175322606 /nfs/dbraw/zinc/32/26/06/175322606.db2.gz KQFJCLOTJVPMQS-BXUZGUMPSA-N 0 3 264.417 2.172 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(C)C1CCCC1)C(=O)[O-] ZINC000045266216 175338997 /nfs/dbraw/zinc/33/89/97/175338997.db2.gz QCIHFPILMOCJLE-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266216 175338998 /nfs/dbraw/zinc/33/89/98/175338998.db2.gz QCIHFPILMOCJLE-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266216 175339000 /nfs/dbraw/zinc/33/90/00/175339000.db2.gz QCIHFPILMOCJLE-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN(C[C@](N)(C(=O)OC)c1ccccc1)C(C)C ZINC000045266679 175339457 /nfs/dbraw/zinc/33/94/57/175339457.db2.gz GGAFQFAHJVZDSH-MRXNPFEDSA-N 0 3 278.396 2.134 10 0 CEAEHN CC[N@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C1CCCC1 ZINC000045269270 175340606 /nfs/dbraw/zinc/34/06/06/175340606.db2.gz LJOFUGKZFIWLGU-HNNXBMFYSA-N 0 3 268.401 2.236 10 0 CEAEHN CC[N@@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C1CCCC1 ZINC000045269270 175340608 /nfs/dbraw/zinc/34/06/08/175340608.db2.gz LJOFUGKZFIWLGU-HNNXBMFYSA-N 0 3 268.401 2.236 10 0 CEAEHN CCCN[C@@](C)(CN(C)[C@@H](C)CCC)C(=O)OC ZINC000045271112 175342745 /nfs/dbraw/zinc/34/27/45/175342745.db2.gz ZNFPRZXJSYAGGE-JSGCOSHPSA-N 0 3 258.406 2.038 10 0 CEAEHN COC(=O)[C@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)NC(C)C ZINC000045272099 175343225 /nfs/dbraw/zinc/34/32/25/175343225.db2.gz SGKUFAVTHJAYDU-UXLLHSPISA-N 0 3 296.455 2.428 10 0 CEAEHN CCCCN(CC[C@@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045276303 175346840 /nfs/dbraw/zinc/34/68/40/175346840.db2.gz KLLKCPDZHVIROY-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN COC(=O)[C@](N)(CN(CC(C)C)C1CC1)c1ccccc1 ZINC000045277450 175347080 /nfs/dbraw/zinc/34/70/80/175347080.db2.gz HJFUICPJGYJYPP-KRWDZBQOSA-N 0 3 290.407 2.134 10 0 CEAEHN CCOC(=O)[C@](C)(CN(CC(C)C)C1CC1)NC(C)C ZINC000045277510 175347137 /nfs/dbraw/zinc/34/71/37/175347137.db2.gz IPMSWPBDMDUACH-INIZCTEOSA-N 0 3 284.444 2.427 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(CC(C)C)C1CC1)C(=O)[O-] ZINC000045277531 175347859 /nfs/dbraw/zinc/34/78/59/175347859.db2.gz WMWSUKKWZWZPJP-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CN[C@](CN(C)CCC(C)C)(C(=O)OC)c1ccccc1 ZINC000045281184 175351560 /nfs/dbraw/zinc/35/15/60/175351560.db2.gz HCZLOGOXDJKQNS-KRWDZBQOSA-N 0 3 292.423 2.252 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(C)CCC(C)C)C(=O)[O-] ZINC000045281264 175352023 /nfs/dbraw/zinc/35/20/23/175352023.db2.gz ORPUNFGTDGYPAH-CQSZACIVSA-N 0 3 258.406 2.197 10 0 CEAEHN C[C@]([NH3+])(CCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000045378657 175367459 /nfs/dbraw/zinc/36/74/59/175367459.db2.gz UAXIBWXXZNYXHU-INIZCTEOSA-N 0 3 276.380 2.017 10 0 CEAEHN CCCN[C@H](CN(CC)[C@@H](C)CC)C(=O)OCC ZINC000045385126 175372450 /nfs/dbraw/zinc/37/24/50/175372450.db2.gz FFWDFDJHNBWHHX-QWHCGFSZSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCN[C@@H](CN(C)C(CC)CC)C(=O)OCC ZINC000045391292 175374792 /nfs/dbraw/zinc/37/47/92/175374792.db2.gz PRPSKULBQQNXGU-ZDUSSCGKSA-N 0 3 258.406 2.038 10 0 CEAEHN COc1ccc([C@H](C)NC2CC(CO)C2)cc1F ZINC000658352491 415334624 /nfs/dbraw/zinc/33/46/24/415334624.db2.gz XNNDLTDYDHEVOE-BMQDGWLCSA-N 0 3 253.317 2.256 10 0 CEAEHN C[C@H](NC(=O)C1(N)CC2(CCC2)C1)C1CCCC1 ZINC000659279639 415487944 /nfs/dbraw/zinc/48/79/44/415487944.db2.gz AAVWMKXTQQBHNV-NSHDSACASA-N 0 3 250.386 2.343 10 0 CEAEHN CN[C@H](C[C@H]1CCCO1)c1cc(Cl)cnc1N ZINC000070405879 175912767 /nfs/dbraw/zinc/91/27/67/175912767.db2.gz FMTDUWWSYAMHSD-MWLCHTKSSA-N 0 3 255.749 2.147 10 0 CEAEHN CNCc1cccc(NC(=O)[C@H]2CCSC2)c1 ZINC000070437418 175931914 /nfs/dbraw/zinc/93/19/14/175931914.db2.gz LKAODNBDDDKBPJ-NSHDSACASA-N 0 3 250.367 2.098 10 0 CEAEHN Cc1c(Cl)cnn1Cc1nc(NN)ccc1Cl ZINC000070704761 176002440 /nfs/dbraw/zinc/00/24/40/176002440.db2.gz FJVMTVHNDMMUEP-UHFFFAOYSA-N 0 3 272.139 2.227 10 0 CEAEHN CNCc1ccn(Cc2cc(Br)cs2)n1 ZINC000070708967 176002811 /nfs/dbraw/zinc/00/28/11/176002811.db2.gz IWQKGCUCLULABK-UHFFFAOYSA-N 0 3 286.198 2.475 10 0 CEAEHN CC[C@](C)(CO)[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000070898668 176010499 /nfs/dbraw/zinc/01/04/99/176010499.db2.gz UVVVUAKZSZRCJY-GFCCVEGCSA-N 0 3 288.185 2.405 10 0 CEAEHN CC1CCC(CN2CC[C@@H](NC3CC3)C2=O)CC1 ZINC000071031310 176022559 /nfs/dbraw/zinc/02/25/59/176022559.db2.gz JKXBXPLLGLOHIA-ORHYLEIMSA-N 0 3 250.386 2.166 10 0 CEAEHN CCOc1ccc(N2CC[C@@H](NC(C)C)C2=O)cc1 ZINC000071035744 176025242 /nfs/dbraw/zinc/02/52/42/176025242.db2.gz XWVIACHFZZOYJL-CQSZACIVSA-N 0 3 262.353 2.189 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000071036305 176025249 /nfs/dbraw/zinc/02/52/49/176025249.db2.gz AGKHIQJBPNFEJS-GFCCVEGCSA-N 0 3 268.719 2.336 10 0 CEAEHN Cc1nc(N2CCC[C@@H](NC(C)C)C2=O)sc1C ZINC000071037179 176026003 /nfs/dbraw/zinc/02/60/03/176026003.db2.gz QFVWYWCWJGGTEH-LLVKDONJSA-N 0 3 267.398 2.253 10 0 CEAEHN COc1ccc(C)cc1N1CC[C@@H](NC(C)C)C1=O ZINC000071037780 176026829 /nfs/dbraw/zinc/02/68/29/176026829.db2.gz RKDSCFRJFFMKFH-GFCCVEGCSA-N 0 3 262.353 2.107 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1Cc1cccc(F)c1 ZINC000071039033 176027289 /nfs/dbraw/zinc/02/72/89/176027289.db2.gz YKFRVRWJCCUZFY-AWEZNQCLSA-N 0 3 262.328 2.069 10 0 CEAEHN CCCOc1ccc(N2CCC[C@@H](NC)C2=O)cc1 ZINC000071041907 176027876 /nfs/dbraw/zinc/02/78/76/176027876.db2.gz REAHQHHKEJQDFZ-CQSZACIVSA-N 0 3 262.353 2.190 10 0 CEAEHN Cc1cc(N2CC[C@@H](NC(C)C)C2=O)ccc1F ZINC000071042682 176028748 /nfs/dbraw/zinc/02/87/48/176028748.db2.gz QCDLRBHHMFKOHJ-CYBMUJFWSA-N 0 3 250.317 2.237 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1[C@@H]1CCCc2sccc21 ZINC000071042753 176029291 /nfs/dbraw/zinc/02/92/91/176029291.db2.gz UMCPAFFPJLSWNM-QWHCGFSZSA-N 0 3 276.405 2.478 10 0 CEAEHN Cc1noc(C)c1CN[C@@]1(CO)CCC[C@@H](C)C1 ZINC000071137726 176036481 /nfs/dbraw/zinc/03/64/81/176036481.db2.gz GFIWVNPTHAIZOL-YGRLFVJLSA-N 0 3 252.358 2.322 10 0 CEAEHN C[C@H]1CCC[C@@H](N(CC(N)=O)Cc2ccccc2N)C1 ZINC000071150542 176045207 /nfs/dbraw/zinc/04/52/07/176045207.db2.gz QOBFFVVYLAJBFX-GXTWGEPZSA-N 0 3 275.396 2.135 10 0 CEAEHN CN(C)C[C@@H](O)CNc1ccccc1C(C)(C)C ZINC000071174292 176053497 /nfs/dbraw/zinc/05/34/97/176053497.db2.gz NUMRBEZKIILNSO-LBPRGKRZSA-N 0 3 250.386 2.319 10 0 CEAEHN CCOC(=O)c1ncsc1NC[C@H]1CCCN(C)C1 ZINC000071202073 176078207 /nfs/dbraw/zinc/07/82/07/176078207.db2.gz ADUMKDSOQAPXSY-SNVBAGLBSA-N 0 3 283.397 2.074 10 0 CEAEHN O=c1ccc(C(F)(F)F)cn1CCNCc1cccnc1 ZINC000071212117 176083849 /nfs/dbraw/zinc/08/38/49/176083849.db2.gz YOZYXWKZDSOQOJ-UHFFFAOYSA-N 0 3 297.280 2.052 10 0 CEAEHN c1cc2c(cc1[C@H]1CNC[C@H](C3CC3)O1)OCCCO2 ZINC000071308803 176116398 /nfs/dbraw/zinc/11/63/98/176116398.db2.gz FYFJELGSCHXVIB-HZPDHXFCSA-N 0 3 275.348 2.287 10 0 CEAEHN Cc1cccnc1CNC[C@@H](O)c1ccccc1F ZINC000071344129 176130989 /nfs/dbraw/zinc/13/09/89/176130989.db2.gz AHXXIQFSASZBKP-OAHLLOKOSA-N 0 3 260.312 2.352 10 0 CEAEHN COCCNCc1ccc(OC)c(C(F)(F)F)c1 ZINC000071398859 176151868 /nfs/dbraw/zinc/15/18/68/176151868.db2.gz YJMHZMYXCIXSAG-UHFFFAOYSA-N 0 3 263.259 2.450 10 0 CEAEHN CCN(CC)CCn1cc(C)cc(Br)c1=O ZINC000071517738 176194221 /nfs/dbraw/zinc/19/42/21/176194221.db2.gz MPKJBUJYOODWOO-UHFFFAOYSA-N 0 3 287.201 2.261 10 0 CEAEHN CC[C@H](NC)C(=O)c1cc(OC)c(C)cc1OC ZINC000071573172 176199587 /nfs/dbraw/zinc/19/95/87/176199587.db2.gz ANBCEBLPRGXBPI-NSHDSACASA-N 0 3 251.326 2.193 10 0 CEAEHN CCOc1ccc(N(C)C(=O)CNC(C)C)cc1F ZINC000076399079 177016326 /nfs/dbraw/zinc/01/63/26/177016326.db2.gz RKHYHPJAUZNWCP-UHFFFAOYSA-N 0 3 268.332 2.185 10 0 CEAEHN COc1ccccc1Cn1nccc1CNC(C)C ZINC000080092889 177606508 /nfs/dbraw/zinc/60/65/08/177606508.db2.gz JLRXLWHOKNUIFD-UHFFFAOYSA-N 0 3 259.353 2.438 10 0 CEAEHN C[C@@]1(C(=O)Nc2cccc(F)c2F)CCCCN1 ZINC000136158203 419441586 /nfs/dbraw/zinc/44/15/86/419441586.db2.gz IJRHQCYHBVCAAM-ZDUSSCGKSA-N 0 3 254.280 2.436 10 0 CEAEHN Brc1cnn(C2CCN(C3CC3)CC2)c1 ZINC000201292841 419457479 /nfs/dbraw/zinc/45/74/79/419457479.db2.gz YOYNQDHYPMSYCO-UHFFFAOYSA-N 0 3 270.174 2.445 10 0 CEAEHN CN(C)C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000667770093 419797009 /nfs/dbraw/zinc/79/70/09/419797009.db2.gz OMTFDPQIHLWBMA-ULQDDVLXSA-N 0 3 274.408 2.446 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000194311184 270295848 /nfs/dbraw/zinc/29/58/48/270295848.db2.gz AUEPNRXTXMMRGK-AWEZNQCLSA-N 0 3 293.386 2.418 10 0 CEAEHN CCC[C@@H](C(=O)NCC1(SC)CCC1)N(C)C ZINC000194620349 270301481 /nfs/dbraw/zinc/30/14/81/270301481.db2.gz YDPRBPCUXRKHHF-NSHDSACASA-N 0 3 258.431 2.119 10 0 CEAEHN Cc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)c(Cl)c1 ZINC000392928462 270341633 /nfs/dbraw/zinc/34/16/33/270341633.db2.gz NQTWQJZERBWJTH-MFKMUULPSA-N 0 3 266.772 2.405 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000396483227 270349914 /nfs/dbraw/zinc/34/99/14/270349914.db2.gz MXRJQVLRLUUPLC-NVXWUHKLSA-N 0 3 276.424 2.354 10 0 CEAEHN COCCN1[C@H](C)CN(c2nc3ccccc3[nH]2)C[C@H]1C ZINC000301900243 274035181 /nfs/dbraw/zinc/03/51/81/274035181.db2.gz YXYYECBEGWJLAC-CHWSQXEVSA-N 0 3 288.395 2.108 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)N[C@H]1CCCc2ccccc21 ZINC000091134575 274977291 /nfs/dbraw/zinc/97/72/91/274977291.db2.gz CAFHXVBNTHDEQR-HIFRSBDPSA-N 0 3 290.432 2.275 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)C ZINC000179334058 276021601 /nfs/dbraw/zinc/02/16/01/276021601.db2.gz JOQUTFPJNAHLIN-KGLIPLIRSA-N 0 3 276.380 2.357 10 0 CEAEHN CC1(C)CCC[C@H]1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000174980195 276111244 /nfs/dbraw/zinc/11/12/44/276111244.db2.gz HJWPOUDKFRXCAN-CHWSQXEVSA-N 0 3 265.401 2.055 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000170856457 276783294 /nfs/dbraw/zinc/78/32/94/276783294.db2.gz FYCWCPXHSMZHMN-SNVBAGLBSA-N 0 3 286.297 2.482 10 0 CEAEHN COC(=O)[C@H](CC(C)C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000351877216 277383306 /nfs/dbraw/zinc/38/33/06/277383306.db2.gz BCIKBAZGCWGILQ-IJEWVQPXSA-N 0 3 283.412 2.201 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)N[C@H]1CCc2ncnn2C1 ZINC000180601453 277883398 /nfs/dbraw/zinc/88/33/98/277883398.db2.gz HHBHRGRNPTTYRA-STQMWFEESA-N 0 3 286.379 2.261 10 0 CEAEHN COc1ccc([C@@H](C)N[C@@H]2CCc3ncnn3C2)cc1F ZINC000180605785 277924984 /nfs/dbraw/zinc/92/49/84/277924984.db2.gz PKVJOEHKPROTOR-ZYHUDNBSSA-N 0 3 290.342 2.091 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)O1 ZINC000246008901 278575409 /nfs/dbraw/zinc/57/54/09/278575409.db2.gz KTVYNOVLIDXPKI-INWMFGNUSA-N 0 3 288.391 2.073 10 0 CEAEHN CC(C)C[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000184790553 279086906 /nfs/dbraw/zinc/08/69/06/279086906.db2.gz UTWKAVUZQQZQBK-MELADBBJSA-N 0 3 252.402 2.364 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@H](C)c1nccn1C ZINC000070444935 279133960 /nfs/dbraw/zinc/13/39/60/279133960.db2.gz QBVVOKYRMZFSGG-CHWSQXEVSA-N 0 3 252.406 2.047 10 0 CEAEHN O=C(N[C@H]1CCC12CCCC2)N1CC[C@H](N2CC=CC2)C1 ZINC000336540816 279950279 /nfs/dbraw/zinc/95/02/79/279950279.db2.gz BWASUKNXFSMWEZ-GJZGRUSLSA-N 0 3 289.423 2.365 10 0 CEAEHN CCO[C@@H](C(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000142192298 280075550 /nfs/dbraw/zinc/07/55/50/280075550.db2.gz UAQNUJPXBIJBIH-JKSUJKDBSA-N 0 3 290.407 2.365 10 0 CEAEHN CCc1cccc(CN2CCN(C[C@H](O)CC)CC2)c1 ZINC000189449125 280149894 /nfs/dbraw/zinc/14/98/94/280149894.db2.gz HUADESYGXMUZHO-QGZVFWFLSA-N 0 3 276.424 2.138 10 0 CEAEHN COc1cccc2c1CCC[C@H]2N[C@@H]1CCc2ncnn2C1 ZINC000194921783 280199204 /nfs/dbraw/zinc/19/92/04/280199204.db2.gz NEWRQXXGIROJJU-IUODEOHRSA-N 0 3 298.390 2.269 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000245753466 280259669 /nfs/dbraw/zinc/25/96/69/280259669.db2.gz ZBNXWOABJXGYJY-UMVBOHGHSA-N 0 3 297.443 2.068 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246120520 280275188 /nfs/dbraw/zinc/27/51/88/280275188.db2.gz VFQGTBBTNGLRIB-JHJVBQTASA-N 0 3 267.417 2.157 10 0 CEAEHN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)[C@@H](c1ccccc1)N(C)C ZINC000248627081 280356087 /nfs/dbraw/zinc/35/60/87/280356087.db2.gz FCCJGCQIOIDPCA-XOUADPBQSA-N 0 3 290.407 2.362 10 0 CEAEHN C[C@H](Cc1ccccc1)CN1CCCNC(=O)[C@H]1C ZINC000248952543 280375419 /nfs/dbraw/zinc/37/54/19/280375419.db2.gz DEXWWBPJJLAQKA-ZIAGYGMSSA-N 0 3 260.381 2.076 10 0 CEAEHN O=[S@](C[C@H]1CCCCN1)c1nc2ccccc2o1 ZINC000095073503 280384191 /nfs/dbraw/zinc/38/41/91/280384191.db2.gz MNYXXQCZSJXPCO-MGNBDDOMSA-N 0 3 264.350 2.078 10 0 CEAEHN Cc1nccnc1[C@H](C)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000249168741 280387334 /nfs/dbraw/zinc/38/73/34/280387334.db2.gz ABIIGJJCWJRWAE-XBFCOCLRSA-N 0 3 262.401 2.164 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1CCOCC(F)F ZINC000230415999 281186189 /nfs/dbraw/zinc/18/61/89/281186189.db2.gz ZBMJPYAOOGRHTP-QWHCGFSZSA-N 0 3 276.371 2.217 10 0 CEAEHN CC[C@H]1[C@@H](C)CCN1Cc1c(C)nn(C)c1OC ZINC000187579374 281266688 /nfs/dbraw/zinc/26/66/88/281266688.db2.gz JPMVHLCIWGGIPZ-GWCFXTLKSA-N 0 3 251.374 2.358 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@]1(C)CCCS1 ZINC000153372172 289111634 /nfs/dbraw/zinc/11/16/34/289111634.db2.gz PSPTZDXYOQNJIA-ZFWWWQNUSA-N 0 3 299.484 2.398 10 0 CEAEHN COCCCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000157325156 289211576 /nfs/dbraw/zinc/21/15/76/289211576.db2.gz CGERPRMZEAPFLC-KBPBESRZSA-N 0 3 278.396 2.187 10 0 CEAEHN Cc1nc2cc(NC(=O)N3CC[C@@H](N(C)C)C3)ccc2o1 ZINC000159196349 289248634 /nfs/dbraw/zinc/24/86/34/289248634.db2.gz IJKBGKWFJUGDDP-GFCCVEGCSA-N 0 3 288.351 2.304 10 0 CEAEHN Cc1cc(Br)ccc1CN[C@@H]1C[C@H]1CO ZINC000309077200 289277656 /nfs/dbraw/zinc/27/76/56/289277656.db2.gz LXDBOZOHWXDTLI-CMPLNLGQSA-N 0 3 270.170 2.228 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000170826231 289311641 /nfs/dbraw/zinc/31/16/41/289311641.db2.gz ATLVJKVPOSKULS-BAPHQMLMSA-N 0 3 291.439 2.157 10 0 CEAEHN C[C@H]1CC(NC(=O)N2CCN3CCC[C@@H]3C2)C[C@H](C)C1 ZINC000172515226 290345985 /nfs/dbraw/zinc/34/59/85/290345985.db2.gz AGFMSQULQKPGBP-UMVBOHGHSA-N 0 3 279.428 2.301 10 0 CEAEHN NC(C(=O)N[C@H]1CCCc2ccccc21)C(F)(F)F ZINC000336005301 295329160 /nfs/dbraw/zinc/32/91/60/295329160.db2.gz OBBODMAPHROXRR-WDEREUQCSA-N 0 3 272.270 2.070 10 0 CEAEHN COc1ccccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000128899558 295351484 /nfs/dbraw/zinc/35/14/84/295351484.db2.gz DXDBMOBSXMKILD-CYBMUJFWSA-N 0 3 278.396 2.401 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](C)N(C)c1ccccc1)N(C)C ZINC000161585102 297446473 /nfs/dbraw/zinc/44/64/73/297446473.db2.gz RAAKBJVFSXVGPF-GOEBONIOSA-N 0 3 291.439 2.358 10 0 CEAEHN CCC[C@@H](C)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000180101243 312762067 /nfs/dbraw/zinc/76/20/67/312762067.db2.gz DTNDFYPTXPGTNZ-CHWSQXEVSA-N 0 3 280.416 2.493 10 0 CEAEHN COC[C@@](C)(O)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000394586621 329127539 /nfs/dbraw/zinc/12/75/39/329127539.db2.gz JZAXRMIOFXSNKJ-RNCFNFMXSA-N 0 3 259.296 2.013 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@]1(C(=N)N)C(F)(F)F ZINC000536959669 330383974 /nfs/dbraw/zinc/38/39/74/330383974.db2.gz RMCYHBHCTLQMNR-JTQLQIEISA-N 0 3 281.278 2.254 10 0 CEAEHN C[C@@H]1C[C@]2(CO)CN(Cc3ccccc3)CC[C@H]2O1 ZINC000536961036 330384214 /nfs/dbraw/zinc/38/42/14/330384214.db2.gz VGBCYGHICHZLQC-FVQBIDKESA-N 0 3 261.365 2.048 10 0 CEAEHN CC(C)CC[C@H](C)N[C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000069234465 519691876 /nfs/dbraw/zinc/69/18/76/519691876.db2.gz IMCNLYWGCISYQK-GXTWGEPZSA-N 0 3 280.412 2.471 10 0 CEAEHN CC(C)CN1CCN(C[C@H]2CCCCC[C@@H]2O)CC1 ZINC000055082374 519726473 /nfs/dbraw/zinc/72/64/73/519726473.db2.gz OSHKPGMSFKYWKF-CVEARBPZSA-N 0 3 268.445 2.201 10 0 CEAEHN CC(C)N[C@H](CCSc1ccc(F)cc1)C(N)=O ZINC000062598933 519738561 /nfs/dbraw/zinc/73/85/61/519738561.db2.gz YJCCSEFGJBWZJO-GFCCVEGCSA-N 0 3 270.373 2.160 10 0 CEAEHN CC(C)N[C@](CSC(C)(C)C)(C(N)=O)C1CC1 ZINC000069185218 519740791 /nfs/dbraw/zinc/74/07/91/519740791.db2.gz VXQRUSVUVNSUKE-ZDUSSCGKSA-N 0 3 258.431 2.150 10 0 CEAEHN CCC1CC[NH+]([C@@H](C)C[C@@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000068638254 519859688 /nfs/dbraw/zinc/85/96/88/519859688.db2.gz OQBIBDMGWHNFAI-BLLLJJGKSA-N 0 3 282.428 2.482 10 0 CEAEHN CCC1CCN([C@@H](C)C[C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000068638254 519859690 /nfs/dbraw/zinc/85/96/90/519859690.db2.gz OQBIBDMGWHNFAI-BLLLJJGKSA-N 0 3 282.428 2.482 10 0 CEAEHN CCNCc1c(C)nn(C)c1N1CCC[C@H](C)[C@@H]1C ZINC000050566045 519983590 /nfs/dbraw/zinc/98/35/90/519983590.db2.gz ZKVFLBWGKGLCMN-AAEUAGOBSA-N 0 3 264.417 2.463 10 0 CEAEHN CCNCc1cc(CN2CC[C@@H](C)C[C@@H]2C)on1 ZINC000052510030 519990191 /nfs/dbraw/zinc/99/01/91/519990191.db2.gz IBQSONXBNDMJCK-NEPJUHHUSA-N 0 3 251.374 2.405 10 0 CEAEHN CCN[C@H](c1ccc(Cl)cc1)[C@@H]1COCCO1 ZINC000055299895 520208206 /nfs/dbraw/zinc/20/82/06/520208206.db2.gz FEGVLAJPLFEMAP-QWHCGFSZSA-N 0 3 255.745 2.406 10 0 CEAEHN CCCCCNC(=O)[C@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555837 520217806 /nfs/dbraw/zinc/21/78/06/520217806.db2.gz TZRCIOOLNXMBAM-GJZGRUSLSA-N 0 3 285.476 2.247 10 0 CEAEHN CCN[C@](C)(CCSCc1ccccc1C)C(N)=O ZINC000054964841 520230670 /nfs/dbraw/zinc/23/06/70/520230670.db2.gz MBOWAHZRZQXBOM-OAHLLOKOSA-N 0 3 280.437 2.472 10 0 CEAEHN CCN(CC)C(=O)[C@H](CN)Cc1ccc(C)c(C)c1 ZINC000050304788 520536721 /nfs/dbraw/zinc/53/67/21/520536721.db2.gz ACOKXMDLKPWCII-HNNXBMFYSA-N 0 3 262.397 2.289 10 0 CEAEHN CCN(CC[C@H](NC(C)C)C(N)=O)c1ccc(C)cc1 ZINC000062529109 521156952 /nfs/dbraw/zinc/15/69/52/521156952.db2.gz UMTQFMIPBCKRHL-HNNXBMFYSA-N 0 3 277.412 2.063 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCCC(C)(C)C1)NC1CC1 ZINC000069516930 521320054 /nfs/dbraw/zinc/32/00/54/521320054.db2.gz ZNFWUPWUELBENX-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCS(=O)(=O)CCOc1ccccc1CNCC(C)C ZINC000062729414 521644480 /nfs/dbraw/zinc/64/44/80/521644480.db2.gz LRPPYZQXIYSCBR-UHFFFAOYSA-N 0 3 299.436 2.246 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000061316744 521942263 /nfs/dbraw/zinc/94/22/63/521942263.db2.gz FGQKVKANCDDJCS-UHFFFAOYSA-N 0 3 259.309 2.278 10 0 CEAEHN COCC[C@H](N)c1nc(-c2ccccc2OC)c[nH]1 ZINC000052811095 521951106 /nfs/dbraw/zinc/95/11/06/521951106.db2.gz BZPAOHUEOIUJCC-NSHDSACASA-N 0 3 261.325 2.122 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCC(=O)NCC(C)C ZINC000062746555 522329838 /nfs/dbraw/zinc/32/98/38/522329838.db2.gz WDHATCAGYGJUIQ-NSHDSACASA-N 0 3 282.359 2.257 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC(C)C ZINC000062746492 522333423 /nfs/dbraw/zinc/33/34/23/522333423.db2.gz DAKVXMDTIRDYNR-WDEREUQCSA-N 0 3 282.359 2.398 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC(C)C ZINC000062746490 522446632 /nfs/dbraw/zinc/44/66/32/522446632.db2.gz DAKVXMDTIRDYNR-GHMZBOCLSA-N 0 3 282.359 2.398 10 0 CEAEHN CC(C)(C)N1CCN(CCc2ccccc2N)CC1 ZINC000052918471 518711434 /nfs/dbraw/zinc/71/14/34/518711434.db2.gz KFKKWXJGESFSOJ-UHFFFAOYSA-N 0 3 261.413 2.227 10 0 CEAEHN CC(C)(C)NCc1ccnc(Cc2ccccn2)n1 ZINC000054792153 518765782 /nfs/dbraw/zinc/76/57/82/518765782.db2.gz HMLCFLVNWHTMKM-UHFFFAOYSA-N 0 3 256.353 2.351 10 0 CEAEHN CC(C)(C)c1ccc(SCC[C@@H](N)C(N)=O)cc1 ZINC000062600378 519047775 /nfs/dbraw/zinc/04/77/75/519047775.db2.gz YGTOHQHDHIPMHV-GFCCVEGCSA-N 0 3 266.410 2.279 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCC(=O)Nc1cccc(F)c1 ZINC000049555997 519339509 /nfs/dbraw/zinc/33/95/09/519339509.db2.gz IPKCVXFSRHAKIJ-OAHLLOKOSA-N 0 3 295.402 2.330 10 0 CEAEHN CC(C)N(C)C(=O)COc1cc(F)ccc1[C@H](C)N ZINC000062745973 519590434 /nfs/dbraw/zinc/59/04/34/519590434.db2.gz REWMMTRQCGRTGO-JTQLQIEISA-N 0 3 268.332 2.091 10 0 CEAEHN CC(C)N(Cc1cccs1)c1ccc(CN)nn1 ZINC000051397799 519662530 /nfs/dbraw/zinc/66/25/30/519662530.db2.gz XMIPFWHNDPDVRA-UHFFFAOYSA-N 0 3 262.382 2.412 10 0 CEAEHN CC(C)NCc1ccc(CN2CCN(CC3CC3)CC2)o1 ZINC000052372449 519726556 /nfs/dbraw/zinc/72/65/56/519726556.db2.gz PTFSMTDHBZCFDB-UHFFFAOYSA-N 0 3 291.439 2.305 10 0 CEAEHN CC(C)NCc1ccc(-n2ccc(C(C)C)n2)nn1 ZINC000052885340 519726847 /nfs/dbraw/zinc/72/68/47/519726847.db2.gz OBQLPALKOHHXAA-UHFFFAOYSA-N 0 3 259.357 2.284 10 0 CEAEHN CC(C)CN1CCN(c2ccc(N)c(OC(C)C)n2)CC1 ZINC000055085603 519728868 /nfs/dbraw/zinc/72/88/68/519728868.db2.gz VOZMPFPULJRJPI-UHFFFAOYSA-N 0 3 292.427 2.229 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc2cc(N)ccc2o1 ZINC000049192081 519793451 /nfs/dbraw/zinc/79/34/51/519793451.db2.gz ARFVWBSQLDVNCN-CYBMUJFWSA-N 0 3 289.379 2.331 10 0 CEAEHN CC(C)[C@H]1CCC(=O)[C@H](CN2CCC(O)CC2)C1 ZINC000054558829 519824563 /nfs/dbraw/zinc/82/45/63/519824563.db2.gz XWVBRSCMCZDRCT-STQMWFEESA-N 0 3 253.386 2.085 10 0 CEAEHN CC(C)c1ccn(-c2cnc(C(C)C)nc2CN)n1 ZINC000052885288 519848155 /nfs/dbraw/zinc/84/81/55/519848155.db2.gz ISIMKJVVUMXIAE-UHFFFAOYSA-N 0 3 259.357 2.368 10 0 CEAEHN CCC1CCC(NS(=O)(=O)C[C@@H]2CCCCN2)CC1 ZINC000049631392 519856916 /nfs/dbraw/zinc/85/69/16/519856916.db2.gz ANSBABYMFYCYRQ-RUXDESIVSA-N 0 3 288.457 2.017 10 0 CEAEHN CCC1CCN(CC[C@@H](NC(C)C)C(=O)OC)CC1 ZINC000062526519 519859028 /nfs/dbraw/zinc/85/90/28/519859028.db2.gz ZUAKKWNUFAVCGV-CQSZACIVSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCC1CCN(CCn2cc(CNC(C)C)nn2)CC1 ZINC000052373958 519901632 /nfs/dbraw/zinc/90/16/32/519901632.db2.gz SMYWNYLICGAZEZ-UHFFFAOYSA-N 0 3 293.459 2.288 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1 ZINC000061293696 519906593 /nfs/dbraw/zinc/90/65/93/519906593.db2.gz VDKZZHXIKZMJKW-UHFFFAOYSA-N 0 3 297.786 2.026 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(OC)c(C)c1 ZINC000061299070 519907607 /nfs/dbraw/zinc/90/76/07/519907607.db2.gz VLYWFEBLBDKBHX-UHFFFAOYSA-N 0 3 250.342 2.330 10 0 CEAEHN CCNCc1ccc(CN2C[C@H](C)OC(C)(C)C2)o1 ZINC000052543457 519996341 /nfs/dbraw/zinc/99/63/41/519996341.db2.gz IRPHIOCJEAXYCI-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCCOC)ccc21 ZINC000062805193 520027064 /nfs/dbraw/zinc/02/70/64/520027064.db2.gz WMASCOUVTXUASV-CYBMUJFWSA-N 0 3 251.326 2.145 10 0 CEAEHN CCCN[C@@](CN(C)CC1CCC1)(C(=O)OCC)C1CC1 ZINC000069231915 520050975 /nfs/dbraw/zinc/05/09/75/520050975.db2.gz LKZUSFHRLODBFF-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCN[C@@](COc1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069196043 520057161 /nfs/dbraw/zinc/05/71/61/520057161.db2.gz KBIHQTMHMKDOCY-MRXNPFEDSA-N 0 3 276.380 2.008 10 0 CEAEHN CCCN[C@H]1COc2cc(OCCOC)ccc21 ZINC000062805194 520097189 /nfs/dbraw/zinc/09/71/89/520097189.db2.gz WMASCOUVTXUASV-ZDUSSCGKSA-N 0 3 251.326 2.145 10 0 CEAEHN CCN[C@@](C)(CCOc1cccc(C(C)C)c1)C(N)=O ZINC000045511236 520135125 /nfs/dbraw/zinc/13/51/25/520135125.db2.gz ZJFAENFLAUFNFL-INIZCTEOSA-N 0 3 278.396 2.432 10 0 CEAEHN CCOC[C@H](O)CN(Cc1ccsc1)C1CC1 ZINC000069276896 520155722 /nfs/dbraw/zinc/15/57/22/520155722.db2.gz AASQIZLPACGJDO-CYBMUJFWSA-N 0 3 255.383 2.110 10 0 CEAEHN CCN[C@H](C)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052295402 520179435 /nfs/dbraw/zinc/17/94/35/520179435.db2.gz FPHXZCGCUNFKIZ-WDMOLILDSA-N 0 3 282.409 2.044 10 0 CEAEHN CCCNc1ccnc(C(=O)N[C@@H]2CCCN(CC)C2)c1 ZINC000050777676 520184508 /nfs/dbraw/zinc/18/45/08/520184508.db2.gz KCPPBZFGSDSWOL-CQSZACIVSA-N 0 3 290.411 2.118 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1C)[C@@H]1COCCO1 ZINC000055299985 520208571 /nfs/dbraw/zinc/20/85/71/520208571.db2.gz OGIMAGNULANSMD-LSDHHAIUSA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CCC2)[C@@H]1COCCO1 ZINC000055300132 520209495 /nfs/dbraw/zinc/20/94/95/520209495.db2.gz NPMAJUXLFGNDJI-JKSUJKDBSA-N 0 3 261.365 2.241 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1cc(C)ccc1C)C(N)=O ZINC000068655942 520241434 /nfs/dbraw/zinc/24/14/34/520241434.db2.gz HAAGUDBMKAIQSA-XJKSGUPXSA-N 0 3 278.396 2.314 10 0 CEAEHN CCN[C@](COc1c(C)cc(C)cc1C)(C(N)=O)C1CC1 ZINC000069194546 520250616 /nfs/dbraw/zinc/25/06/16/520250616.db2.gz ZLQFERPJRSKSKZ-KRWDZBQOSA-N 0 3 290.407 2.234 10 0 CEAEHN CCCO[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000061612555 520266354 /nfs/dbraw/zinc/26/63/54/520266354.db2.gz YHCWZVYMMIXJDI-CVEARBPZSA-N 0 3 290.407 2.147 10 0 CEAEHN CCNc1ccc(CN2CCN(C(C)(C)C)CC2)cn1 ZINC000050817373 520301210 /nfs/dbraw/zinc/30/12/10/520301210.db2.gz AMEQXFUJGKYTAW-UHFFFAOYSA-N 0 3 276.428 2.430 10 0 CEAEHN CCCOc1ccc(CNC)c(OCCC(=O)OC)c1 ZINC000069317173 520364680 /nfs/dbraw/zinc/36/46/80/520364680.db2.gz GVTHWUHKTXGXSP-UHFFFAOYSA-N 0 3 281.352 2.137 10 0 CEAEHN CCCOc1cccc(CNCCN(C)CCOC)c1 ZINC000061377744 520454665 /nfs/dbraw/zinc/45/46/65/520454665.db2.gz YLVWBUUCANCQDP-UHFFFAOYSA-N 0 3 280.412 2.143 10 0 CEAEHN CC1(C)COCCN1[C@H](CN)c1ccc2ncccc2c1 ZINC000069502610 520506748 /nfs/dbraw/zinc/50/67/48/520506748.db2.gz KCRRPPZBQAODIV-MRXNPFEDSA-N 0 3 285.391 2.345 10 0 CEAEHN CC1(C)COCCN1c1nc2ccccc2cc1CN ZINC000048946042 520510060 /nfs/dbraw/zinc/51/00/60/520510060.db2.gz RIXZADNKGVNRFS-UHFFFAOYSA-N 0 3 271.364 2.309 10 0 CEAEHN CCOC(=O)C[C@]1(N2CCOCC2)CC[C@H](C)C[C@@H]1C ZINC000068633901 520902948 /nfs/dbraw/zinc/90/29/48/520902948.db2.gz HNVYSZJPBMCNBC-OFQRWUPVSA-N 0 3 283.412 2.467 10 0 CEAEHN CCCC[C@H](C)NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051091840 521146858 /nfs/dbraw/zinc/14/68/58/521146858.db2.gz VYIBEAGFUDMXFZ-QMMMGPOBSA-N 0 3 270.764 2.329 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCC(CC)(CC)CC1)NC ZINC000062956353 521148174 /nfs/dbraw/zinc/14/81/74/521148174.db2.gz AGCFSXWIAKXACY-OAHLLOKOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN(CC[C@H](NC(C)C)C(N)=O)c1cccc(C)c1 ZINC000062452988 521157566 /nfs/dbraw/zinc/15/75/66/521157566.db2.gz SQZPFVGVXUHKEW-HNNXBMFYSA-N 0 3 277.412 2.063 10 0 CEAEHN CCN(Cc1ccoc1CNC1CC1)[C@@H](C)COC ZINC000052504834 521424939 /nfs/dbraw/zinc/42/49/39/521424939.db2.gz IQRBZTDHBQQRHQ-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN CCN(c1ccc(F)cc1CNCCOC)[C@H](C)COC ZINC000062737891 521489516 /nfs/dbraw/zinc/48/95/16/521489516.db2.gz JBRDWJSPAMGRDK-CYBMUJFWSA-N 0 3 298.402 2.423 10 0 CEAEHN CCN(c1ccccc1C)S(=O)(=O)C[C@H]1CCCCN1 ZINC000049630741 521500845 /nfs/dbraw/zinc/50/08/45/521500845.db2.gz LQAXVKYABVJPAZ-CQSZACIVSA-N 0 3 296.436 2.293 10 0 CEAEHN CCCc1nc(N2CCN(C(C)(C)C)CC2)sc1CN ZINC000055001486 521532923 /nfs/dbraw/zinc/53/29/23/521532923.db2.gz MDDAKAMLNXNSHK-UHFFFAOYSA-N 0 3 296.484 2.475 10 0 CEAEHN CCCc1nc(N2CCO[C@@H](C)C2)sc1CNC ZINC000054995761 521534787 /nfs/dbraw/zinc/53/47/87/521534787.db2.gz QASSDOVLXQSMTQ-JTQLQIEISA-N 0 3 269.414 2.040 10 0 CEAEHN CCN1CCC(N(C)c2ncc([C@H](C)O)s2)CC1 ZINC000054928000 521569961 /nfs/dbraw/zinc/56/99/61/521569961.db2.gz NPHBXTMXLQKMDF-JTQLQIEISA-N 0 3 269.414 2.117 10 0 CEAEHN CCCN(CC)c1nc(C)c(CNCCOC)s1 ZINC000054996686 521618540 /nfs/dbraw/zinc/61/85/40/521618540.db2.gz JMRWQMKRYWHBKN-UHFFFAOYSA-N 0 3 271.430 2.424 10 0 CEAEHN CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1NC ZINC000053000601 521638126 /nfs/dbraw/zinc/63/81/26/521638126.db2.gz ZIKBJUZYGWYNIP-CYBMUJFWSA-N 0 3 275.396 2.251 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000052501162 521646292 /nfs/dbraw/zinc/64/62/92/521646292.db2.gz BCJANSRFFQMSGO-STQMWFEESA-N 0 3 279.384 2.433 10 0 CEAEHN CCOC1CCN(c2ncc([C@@H](C)NC)s2)CC1 ZINC000054905841 521657747 /nfs/dbraw/zinc/65/77/47/521657747.db2.gz SNPIIBZAZHVPEU-SNVBAGLBSA-N 0 3 269.414 2.429 10 0 CEAEHN CCOC1CCN(c2ncc([C@H](C)NC)s2)CC1 ZINC000054905843 521657880 /nfs/dbraw/zinc/65/78/80/521657880.db2.gz SNPIIBZAZHVPEU-JTQLQIEISA-N 0 3 269.414 2.429 10 0 CEAEHN CCN1CCN([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024541 521694925 /nfs/dbraw/zinc/69/49/25/521694925.db2.gz YTYBFYRZLBOEST-CQSZACIVSA-N 0 3 277.437 2.041 10 0 CEAEHN CCCN1C(=O)C[C@H](NC2CCC(CC)CC2)C1=O ZINC000049118545 521699576 /nfs/dbraw/zinc/69/95/76/521699576.db2.gz HZSNQUOUKPAGJU-BPCQOVAHSA-N 0 3 266.385 2.082 10 0 CEAEHN CCNC(=O)CCN1CCC[C@H](c2nc(C)cs2)C1 ZINC000156963803 521735675 /nfs/dbraw/zinc/73/56/75/521735675.db2.gz FQVUAPWXFSUCFW-LBPRGKRZSA-N 0 3 281.425 2.157 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CCC(=O)c1cccc(F)c1 ZINC000061653397 521838485 /nfs/dbraw/zinc/83/84/85/521838485.db2.gz QBUOXKLTQDXYIX-HNNXBMFYSA-N 0 3 278.371 2.425 10 0 CEAEHN C[NH2+]CCS(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000049629886 522017311 /nfs/dbraw/zinc/01/73/11/522017311.db2.gz AJERCBCAEGXCPF-UHFFFAOYSA-N 0 3 290.388 2.315 10 0 CEAEHN COC(=O)c1ccc(CN[C@@H](C)[C@H]2CCCO2)s1 ZINC000183177510 522035192 /nfs/dbraw/zinc/03/51/92/522035192.db2.gz ILXHJUKBSVQNLC-GXSJLCMTSA-N 0 3 269.366 2.192 10 0 CEAEHN CC[C@@H](C)N(C)c1nc2sccn2c1CNCCOC ZINC000062735389 522065423 /nfs/dbraw/zinc/06/54/23/522065423.db2.gz CRMNOXWBYREZGZ-LLVKDONJSA-N 0 3 296.440 2.367 10 0 CEAEHN CNCc1cc(C)nc(Cc2cccc(OC)c2)n1 ZINC000054830884 522102994 /nfs/dbraw/zinc/10/29/94/522102994.db2.gz SPYQCKLDBHVETM-UHFFFAOYSA-N 0 3 257.337 2.104 10 0 CEAEHN CNCc1cc(CN2CCO[C@@H]3CCC[C@@H]32)oc1C ZINC000052540182 522107505 /nfs/dbraw/zinc/10/75/05/522107505.db2.gz VNDINRLTGOQVEH-LSDHHAIUSA-N 0 3 264.369 2.061 10 0 CEAEHN CNCc1cc(CN2C[C@H](C)OC(C)(C)C2)c(C)o1 ZINC000052543611 522111389 /nfs/dbraw/zinc/11/13/89/522111389.db2.gz WXMJDYOCBTZEFD-NSHDSACASA-N 0 3 266.385 2.307 10 0 CEAEHN CNCc1cc(Cn2nnc3ccccc32)oc1C ZINC000052576586 522112024 /nfs/dbraw/zinc/11/20/24/522112024.db2.gz JGHNSFWGVBDPLE-UHFFFAOYSA-N 0 3 256.309 2.100 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCCO1 ZINC000050961520 522370090 /nfs/dbraw/zinc/37/00/90/522370090.db2.gz VRWQWOAZMHIHCM-HOCLYGCPSA-N 0 3 274.364 2.401 10 0 CEAEHN CCc1nc(N2CC[C@H](C)C2)sc1CNCCOC ZINC000054998463 522388268 /nfs/dbraw/zinc/38/82/68/522388268.db2.gz XSSMUBVVMODKJD-NSHDSACASA-N 0 3 283.441 2.288 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)Oc1cccc2ccccc21)C(N)=O ZINC000068656749 522417016 /nfs/dbraw/zinc/41/70/16/522417016.db2.gz WALWPZMJMJDTFP-PXAZEXFGSA-N 0 3 286.375 2.461 10 0 CEAEHN CN[C@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702753 522489719 /nfs/dbraw/zinc/48/97/19/522489719.db2.gz HMPZYOYAJSINGA-UONOGXRCSA-N 0 3 267.394 2.381 10 0 CEAEHN CN[C@H]1COc2cc(OCc3cc(C)on3)ccc21 ZINC000062804157 522508497 /nfs/dbraw/zinc/50/84/97/522508497.db2.gz KVMDSXWCTRXHCE-ZDUSSCGKSA-N 0 3 260.293 2.215 10 0 CEAEHN CN[C@](COc1ccccc1C(C)(C)C)(C(N)=O)C1CC1 ZINC000069196957 522529367 /nfs/dbraw/zinc/52/93/67/522529367.db2.gz AVGVWTVEIJNCBG-KRWDZBQOSA-N 0 3 290.407 2.216 10 0 CEAEHN CNc1cc(CN(CCOC)CC(C)C)ccn1 ZINC000052724534 522566069 /nfs/dbraw/zinc/56/60/69/522566069.db2.gz KIQLMMMKZSOHDZ-UHFFFAOYSA-N 0 3 251.374 2.228 10 0 CEAEHN CNc1cc(CN2CCN(C(C)(C)C)CC2)ccn1 ZINC000052729918 522566136 /nfs/dbraw/zinc/56/61/36/522566136.db2.gz ZNCOAYKBVHWVHI-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN CN(CC1CCCCC1)S(=O)(=O)c1cccc(CN)c1 ZINC000049013943 522656890 /nfs/dbraw/zinc/65/68/90/522656890.db2.gz ZCQVKYCYTWZIIQ-UHFFFAOYSA-N 0 3 296.436 2.346 10 0 CEAEHN CC[C@@H](Oc1ccc2c(c1)OC(C)(C)C[C@@H]2NC)C(N)=O ZINC000061676011 523043806 /nfs/dbraw/zinc/04/38/06/523043806.db2.gz XEXPYFPCFRCOQA-QWHCGFSZSA-N 0 3 292.379 2.151 10 0 CEAEHN CC[C@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631387 523045893 /nfs/dbraw/zinc/04/58/93/523045893.db2.gz VKRRITNLAGWQFA-IHRRRGAJSA-N 0 3 288.457 2.017 10 0 CEAEHN COc1cc2nc(CNCC(C)C)[nH]c2cc1OC ZINC000062742484 523066166 /nfs/dbraw/zinc/06/61/66/523066166.db2.gz IXVWHLCYEFNQIL-UHFFFAOYSA-N 0 3 263.341 2.326 10 0 CEAEHN CC[C@H]1CCCN(Cc2ccnc(C(N)=S)c2)C1 ZINC000068752033 523092635 /nfs/dbraw/zinc/09/26/35/523092635.db2.gz ITVAOXDAQFRXCY-NSHDSACASA-N 0 3 263.410 2.338 10 0 CEAEHN COc1ccc(-c2cncnc2)cc1CNC1CC1 ZINC000052886592 523153076 /nfs/dbraw/zinc/15/30/76/523153076.db2.gz YFGADUVBEVZAOC-UHFFFAOYSA-N 0 3 255.321 2.404 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1ncc([C@@H](C)NC)s1 ZINC000054908829 523346092 /nfs/dbraw/zinc/34/60/92/523346092.db2.gz FRSJZEPGIJBEHK-AXFHLTTASA-N 0 3 269.414 2.427 10 0 CEAEHN CCn1cc(C[C@@H](NC)c2ccccc2OC)cn1 ZINC000050542250 523395213 /nfs/dbraw/zinc/39/52/13/523395213.db2.gz ARGFZDBDYNSAOC-CQSZACIVSA-N 0 3 259.353 2.415 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc(F)cc2C)CCO1 ZINC000050578551 523467177 /nfs/dbraw/zinc/46/71/77/523467177.db2.gz QOWFRNLDPVJPAJ-HIFRSBDPSA-N 0 3 266.360 2.245 10 0 CEAEHN COCCN(C)CCNc1ncc(Cl)cc1Cl ZINC000061379730 523614972 /nfs/dbraw/zinc/61/49/72/523614972.db2.gz LLSQZMDGWRATFM-UHFFFAOYSA-N 0 3 278.183 2.379 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc3c([nH]2)CCc2sccc2-3)C1 ZINC000061327097 523742067 /nfs/dbraw/zinc/74/20/67/523742067.db2.gz AJXASNWMOQZUOB-GZMMTYOYSA-N 0 3 275.377 2.286 10 0 CEAEHN CC[C@H](C)CN(C)Cc1nc(NN)ccc1Cl ZINC000061639098 523870167 /nfs/dbraw/zinc/87/01/67/523870167.db2.gz LCTSUGSTPXLUEG-VIFPVBQESA-N 0 3 256.781 2.499 10 0 CEAEHN CCc1ccc(C(=O)CN2CCC[C@@H]2CN(C)C)cc1 ZINC000061645710 523879780 /nfs/dbraw/zinc/87/97/80/523879780.db2.gz CBBJKNYWMQXQKT-MRXNPFEDSA-N 0 3 274.408 2.458 10 0 CEAEHN COCCNCc1c(C)nc(-c2ccccc2)nc1C ZINC000054854562 523946369 /nfs/dbraw/zinc/94/63/69/523946369.db2.gz SCNJGKCIHHFCKT-UHFFFAOYSA-N 0 3 271.364 2.496 10 0 CEAEHN COCCNCc1c(Cl)cccc1-n1ccnc1 ZINC000062738568 523947574 /nfs/dbraw/zinc/94/75/74/523947574.db2.gz BMBLNQLOXFQKDI-UHFFFAOYSA-N 0 3 265.744 2.262 10 0 CEAEHN COCCNCc1cccc(OC)c1OCC(F)(F)F ZINC000062732355 523954651 /nfs/dbraw/zinc/95/46/51/523954651.db2.gz MFHHPZBDUMTWRB-UHFFFAOYSA-N 0 3 293.285 2.372 10 0 CEAEHN COCCNCc1ccccc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000062737974 523956096 /nfs/dbraw/zinc/95/60/96/523956096.db2.gz JMCQKTGDTMNDFN-DLBZAZTESA-N 0 3 290.407 2.180 10 0 CEAEHN CC[C@H](C)N1CCN([C@H]2CCCCCC[C@@H]2O)CC1 ZINC000055069814 523959688 /nfs/dbraw/zinc/95/96/88/523959688.db2.gz VZTUTRLKJHMYQV-JYJNAYRXSA-N 0 3 268.445 2.486 10 0 CEAEHN COc1ccc(CN(C)Cc2ccnc(C(=N)N)c2)cc1 ZINC000068761338 524006552 /nfs/dbraw/zinc/00/65/52/524006552.db2.gz BOWMOHMXTMXFRF-UHFFFAOYSA-N 0 3 284.363 2.006 10 0 CEAEHN CCc1ccc(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)cc1 ZINC000068655633 524008293 /nfs/dbraw/zinc/00/82/93/524008293.db2.gz DCOQTBOUVOICJX-YVEFUNNKSA-N 0 3 290.407 2.402 10 0 CEAEHN CN(C)C1CC[NH+]([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000062752117 524040902 /nfs/dbraw/zinc/04/09/02/524040902.db2.gz DJRONUHBZNFFFO-OAHLLOKOSA-N 0 3 276.380 2.228 10 0 CEAEHN CNC(=O)CCCOc1ccccc1CNC(C)C ZINC000068816142 524065930 /nfs/dbraw/zinc/06/59/30/524065930.db2.gz BYALFZQJSYMHBL-UHFFFAOYSA-N 0 3 264.369 2.090 10 0 CEAEHN CNC(=O)[C@@H](C)Oc1ccc(OC)cc1CNC(C)(C)C ZINC000062727531 524081002 /nfs/dbraw/zinc/08/10/02/524081002.db2.gz CUIWBAWLJVMCAL-LLVKDONJSA-N 0 3 294.395 2.097 10 0 CEAEHN C[C@H]1CCCN(Cc2nc(NN)ccc2Cl)C1 ZINC000061638933 524098176 /nfs/dbraw/zinc/09/81/76/524098176.db2.gz SXEBCPYIVVKVND-VIFPVBQESA-N 0 3 254.765 2.253 10 0 CEAEHN COc1ccc(C[C@@H](CN)C(=O)N2CCCCC2)cc1C ZINC000050596620 524139026 /nfs/dbraw/zinc/13/90/26/524139026.db2.gz IIDWCHWJEMAKTP-HNNXBMFYSA-N 0 3 290.407 2.134 10 0 CEAEHN COc1ccc(Cc2ncc([C@H](C)N)c(C)n2)cc1OC ZINC000054962529 524166982 /nfs/dbraw/zinc/16/69/82/524166982.db2.gz ZQWLJJHCUHHZOM-JTQLQIEISA-N 0 3 287.363 2.413 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(F)cc2F)N1 ZINC000051017941 524266376 /nfs/dbraw/zinc/26/63/76/524266376.db2.gz JKBCCNRKDUMVBQ-RNCFNFMXSA-N 0 3 268.307 2.112 10 0 CEAEHN C[C@H]1CCN(Cc2cc(CNC(C)(C)C)no2)C1 ZINC000052484455 524290998 /nfs/dbraw/zinc/29/09/98/524290998.db2.gz GXVDZDCOSICUIZ-NSHDSACASA-N 0 3 251.374 2.405 10 0 CEAEHN COc1ccc(N)cc1CN1CCN(CC(C)C)CC1 ZINC000055076855 524376029 /nfs/dbraw/zinc/37/60/29/524376029.db2.gz NNHJKBLVACMAQY-UHFFFAOYSA-N 0 3 277.412 2.051 10 0 CEAEHN C[C@H]1CC[C@H](C(=O)N(CCN(C)C)c2ccccc2)O1 ZINC000151081400 524378905 /nfs/dbraw/zinc/37/89/05/524378905.db2.gz HNESNWQXAYMCOI-DZGCQCFKSA-N 0 3 276.380 2.149 10 0 CEAEHN Cc1ccc(CN(C)Cc2cccnc2CN)cc1 ZINC000061656491 524394982 /nfs/dbraw/zinc/39/49/82/524394982.db2.gz SZGXGBVVTJJMPM-UHFFFAOYSA-N 0 3 255.365 2.481 10 0 CEAEHN C[C@H]1CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C[C@@H]1C ZINC000068584352 524420130 /nfs/dbraw/zinc/42/01/30/524420130.db2.gz HJGKAPSRVGIPBJ-SDADXPQNSA-N 0 3 274.408 2.497 10 0 CEAEHN COc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1C ZINC000049531953 524589703 /nfs/dbraw/zinc/58/97/03/524589703.db2.gz DPKLAWZLMWNPQW-GFCCVEGCSA-N 0 3 250.342 2.316 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1ccc2c(c1)CCCN2 ZINC000049184860 524590543 /nfs/dbraw/zinc/59/05/43/524590543.db2.gz XXINIJIUQVRWKM-ZDUSSCGKSA-N 0 3 287.407 2.259 10 0 CEAEHN C[C@@H](CN1CCCC1)NCc1cnc2ccccc2n1 ZINC000049150928 524593728 /nfs/dbraw/zinc/59/37/28/524593728.db2.gz CDFNSSPHPQJMSW-ZDUSSCGKSA-N 0 3 270.380 2.204 10 0 CEAEHN C[C@@H](CN1CCCC1)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000049151451 524596000 /nfs/dbraw/zinc/59/60/00/524596000.db2.gz PRMKRZVVNRNMOC-ZFWWWQNUSA-N 0 3 287.407 2.168 10 0 CEAEHN C[C@@H](CN1CCOCC1)NCc1ccc2ccccc2n1 ZINC000049505500 524627786 /nfs/dbraw/zinc/62/77/86/524627786.db2.gz JQRHSGDQPDKLRP-AWEZNQCLSA-N 0 3 285.391 2.045 10 0 CEAEHN Cc1ccc(C[C@H](CN)C(=O)NC(C)(C)C)c(C)c1 ZINC000050304437 524683503 /nfs/dbraw/zinc/68/35/03/524683503.db2.gz GQUJBGOESGWXBE-CQSZACIVSA-N 0 3 262.397 2.336 10 0 CEAEHN C[C@H]1COCCN1c1ncc(CNC2CC2)cc1Cl ZINC000051443992 524724034 /nfs/dbraw/zinc/72/40/34/524724034.db2.gz CFQWADSTYQEZBP-JTQLQIEISA-N 0 3 281.787 2.212 10 0 CEAEHN Cc1cccc(SCC[C@@H](NC(C)C)C(N)=O)c1 ZINC000062601556 524808632 /nfs/dbraw/zinc/80/86/32/524808632.db2.gz ORYMBHSCDPCAKF-CYBMUJFWSA-N 0 3 266.410 2.329 10 0 CEAEHN C[C@@H](Cc1c(F)cccc1F)NCc1c[nH]cn1 ZINC000054765053 524885385 /nfs/dbraw/zinc/88/53/85/524885385.db2.gz WFIWDIFZMUPDMO-VIFPVBQESA-N 0 3 251.280 2.409 10 0 CEAEHN C[C@@H](Cc1c(F)cccc1F)NCc1cnc[nH]1 ZINC000054765053 524885396 /nfs/dbraw/zinc/88/53/96/524885396.db2.gz WFIWDIFZMUPDMO-VIFPVBQESA-N 0 3 251.280 2.409 10 0 CEAEHN C[C@@H](N)c1nc(Cc2ccc(F)cc2Cl)n[nH]1 ZINC000062609407 525033171 /nfs/dbraw/zinc/03/31/71/525033171.db2.gz WGRXDWYVVOLCNS-ZCFIWIBFSA-N 0 3 254.696 2.208 10 0 CEAEHN C[C@@H](N)c1nnc(Cc2ccc(F)cc2Cl)[nH]1 ZINC000062609407 525033182 /nfs/dbraw/zinc/03/31/82/525033182.db2.gz WGRXDWYVVOLCNS-ZCFIWIBFSA-N 0 3 254.696 2.208 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)Cc1cccc(Cl)c1 ZINC000069132641 525096014 /nfs/dbraw/zinc/09/60/14/525096014.db2.gz FWGKQTMTEAYYRT-GHMZBOCLSA-N 0 3 266.772 2.091 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000069132931 525096259 /nfs/dbraw/zinc/09/62/59/525096259.db2.gz MYRBKOOPKPBUIU-RNFRBKRXSA-N 0 3 276.167 2.144 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc(Br)cc1 ZINC000069133304 525096811 /nfs/dbraw/zinc/09/68/11/525096811.db2.gz ZLBSSZKYNCFGEF-NXEZZACHSA-N 0 3 297.196 2.272 10 0 CEAEHN Cc1ccccc1CSC[C@@](C)(NC(C)C)C(N)=O ZINC000054964697 525183372 /nfs/dbraw/zinc/18/33/72/525183372.db2.gz VUFDEJPUSGCWLC-OAHLLOKOSA-N 0 3 280.437 2.470 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN(Cc2cccnc2C(N)=S)C1 ZINC000061659660 525212375 /nfs/dbraw/zinc/21/23/75/525212375.db2.gz WVIJZLIMHUSZSQ-GHMZBOCLSA-N 0 3 263.410 2.194 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN(Cc2ccnc(C(N)=S)c2)C1 ZINC000068751775 525212396 /nfs/dbraw/zinc/21/23/96/525212396.db2.gz HWMMUEWZXATOCT-GHMZBOCLSA-N 0 3 263.410 2.194 10 0 CEAEHN C[C@]1(c2ccccc2)CN(C[C@@H]2CCCCO2)CCN1 ZINC000068693703 525331629 /nfs/dbraw/zinc/33/16/29/525331629.db2.gz LJSJVGSTAZLNGN-DLBZAZTESA-N 0 3 274.408 2.376 10 0 CEAEHN COc1ccc([C@H](NC2CCCC2)C(N)=O)cc1C ZINC000050597194 525371958 /nfs/dbraw/zinc/37/19/58/525371958.db2.gz HCIKRMRMIWNFRB-AWEZNQCLSA-N 0 3 262.353 2.062 10 0 CEAEHN C[C@@H]1C[C@H](C)CN(Cc2nc(NN)ccc2Cl)C1 ZINC000061638874 525386037 /nfs/dbraw/zinc/38/60/37/525386037.db2.gz VKTMUVDAFBDEHU-AOOOYVTPSA-N 0 3 268.792 2.499 10 0 CEAEHN C[C@@H](NC1(CO)CCCCC1)C(=O)NC1CCCCC1 ZINC000053097322 525392083 /nfs/dbraw/zinc/39/20/83/525392083.db2.gz ORXGTHCCDOBCJG-CYBMUJFWSA-N 0 3 282.428 2.109 10 0 CEAEHN Cc1cc([C@H](CN)N2CCSCC2)ccc1F ZINC000050545940 525536148 /nfs/dbraw/zinc/53/61/48/525536148.db2.gz XZTVWOAFHPQELQ-ZDUSSCGKSA-N 0 3 254.374 2.183 10 0 CEAEHN COc1ccc2cc(CN3CCCC3)c(N)nc2c1 ZINC000050792156 525628454 /nfs/dbraw/zinc/62/84/54/525628454.db2.gz TVOODSZBIZMKOO-UHFFFAOYSA-N 0 3 257.337 2.421 10 0 CEAEHN CSC[C@H](C)CNCC(=O)Nc1cccc(F)c1 ZINC000069447433 525680940 /nfs/dbraw/zinc/68/09/40/525680940.db2.gz BXMRTXHJKZAVSA-SNVBAGLBSA-N 0 3 270.373 2.353 10 0 CEAEHN Cc1c(CNC(C)C)cnn1[C@H]1CCCC[C@H]1O ZINC000054600044 525722310 /nfs/dbraw/zinc/72/23/10/525722310.db2.gz ZIPBAGYRYJLWHA-UONOGXRCSA-N 0 3 251.374 2.166 10 0 CEAEHN Cc1c(N)cc(C(=O)N[C@@H](CN(C)C)C(C)C)cc1F ZINC000049191975 525818224 /nfs/dbraw/zinc/81/82/24/525818224.db2.gz ACLIGUUQYINILB-AWEZNQCLSA-N 0 3 281.375 2.032 10 0 CEAEHN C[C@H](O)c1cccc(NC(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000061655756 525859097 /nfs/dbraw/zinc/85/90/97/525859097.db2.gz BKBCOMNOUFHGGB-SWLSCSKDSA-N 0 3 291.395 2.298 10 0 CEAEHN Cc1ccc([C@H](CN)Sc2nnc3ccccn32)o1 ZINC000061406415 525953707 /nfs/dbraw/zinc/95/37/07/525953707.db2.gz LXQUCOXGPSUANN-NSHDSACASA-N 0 3 274.349 2.423 10 0 CEAEHN Cc1ccc(C(C)C)cc1O[C@@H](C)C[C@](C)(N)C(N)=O ZINC000068650810 526250042 /nfs/dbraw/zinc/25/00/42/526250042.db2.gz FQGUYAIDHPHGJK-LRDDRELGSA-N 0 3 278.396 2.479 10 0 CEAEHN C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051096538 526262098 /nfs/dbraw/zinc/26/20/98/526262098.db2.gz BZUYAZYQCXOIIE-GZMMTYOYSA-N 0 3 282.775 2.329 10 0 CEAEHN Fc1cc(CN[C@@H]2CN3CCC2CC3)cc(F)c1F ZINC000062705669 526298456 /nfs/dbraw/zinc/29/84/56/526298456.db2.gz QSPZJUNYUZMMHV-CYBMUJFWSA-N 0 3 270.298 2.288 10 0 CEAEHN Cc1nc(C)n(-c2c(F)cc(CNC3CC3)cc2F)n1 ZINC000062719718 526756106 /nfs/dbraw/zinc/75/61/06/526756106.db2.gz UKKQCVZZVKVAIQ-UHFFFAOYSA-N 0 3 278.306 2.414 10 0 CEAEHN N=C(N)c1cc(COc2cccc3cccnc32)ccn1 ZINC000068762477 526820021 /nfs/dbraw/zinc/82/00/21/526820021.db2.gz BFUNNZNUGFTFQF-UHFFFAOYSA-N 0 3 278.315 2.493 10 0 CEAEHN N=C(N)c1ccc2cccc(Br)c2n1 ZINC000062673081 526824410 /nfs/dbraw/zinc/82/44/10/526824410.db2.gz XZIOIRLOBPMXST-UHFFFAOYSA-N 0 3 250.099 2.281 10 0 CEAEHN Cc1nc(CNCCc2cc(F)cc(F)c2)c[nH]1 ZINC000054822626 526887065 /nfs/dbraw/zinc/88/70/65/526887065.db2.gz LZIALWQYZXDLNS-UHFFFAOYSA-N 0 3 251.280 2.329 10 0 CEAEHN Cc1ncc(CNCCc2cc(F)cc(F)c2)[nH]1 ZINC000054822626 526887069 /nfs/dbraw/zinc/88/70/69/526887069.db2.gz LZIALWQYZXDLNS-UHFFFAOYSA-N 0 3 251.280 2.329 10 0 CEAEHN Cc1nc(N2CCO[C@@H]3CCC[C@@H]32)sc1CNC1CC1 ZINC000054999072 526972710 /nfs/dbraw/zinc/97/27/10/526972710.db2.gz JJDPXDJAZDYEHV-QWHCGFSZSA-N 0 3 293.436 2.461 10 0 CEAEHN NC(=S)c1ccccc1NCCN1CCCCC1 ZINC000049575547 527121810 /nfs/dbraw/zinc/12/18/10/527121810.db2.gz USIZGVDBHMCERI-UHFFFAOYSA-N 0 3 263.410 2.219 10 0 CEAEHN O=S(=O)(C[C@H]1CCCCN1)NC1CCCCCCC1 ZINC000049630709 527184943 /nfs/dbraw/zinc/18/49/43/527184943.db2.gz BPXZDBPHGMYFTO-CQSZACIVSA-N 0 3 288.457 2.161 10 0 CEAEHN NC[C@@H](Cc1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000068811108 527201863 /nfs/dbraw/zinc/20/18/63/527201863.db2.gz RDHRCOKJVREEHD-CYBMUJFWSA-N 0 3 272.348 2.173 10 0 CEAEHN NC[C@@H](c1ccc(Cl)cc1)N1CCCOCC1 ZINC000061914497 527206311 /nfs/dbraw/zinc/20/63/11/527206311.db2.gz UJSKFLNKSCEVMD-ZDUSSCGKSA-N 0 3 254.761 2.062 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)[C@@H](O)c1ccccc1 ZINC000069052618 527279400 /nfs/dbraw/zinc/27/94/00/527279400.db2.gz OJSGNCXQHTWIRG-INIZCTEOSA-N 0 3 282.343 2.004 10 0 CEAEHN N[C@H](c1cncnc1)c1cccc(Br)c1 ZINC000052887007 527392477 /nfs/dbraw/zinc/39/24/77/527392477.db2.gz QRAKJPFUMHPYTA-NSHDSACASA-N 0 3 264.126 2.287 10 0 CEAEHN N[C@H]1c2ccccc2OC[C@@H]1N1Cc2ccccc2C1 ZINC000050910910 527420321 /nfs/dbraw/zinc/42/03/21/527420321.db2.gz KOCPMKMAGYMXMF-RDJZCZTQSA-N 0 3 266.344 2.463 10 0 CEAEHN Cn1ccnc1NCc1ccccc1-n1cccn1 ZINC000050606181 527447868 /nfs/dbraw/zinc/44/78/68/527447868.db2.gz GQKDFDLSFVGUQU-UHFFFAOYSA-N 0 3 253.309 2.218 10 0 CEAEHN Nc1cc2c(cc1NCCN1CCCCC1)CCC(=O)N2 ZINC000049574683 527462873 /nfs/dbraw/zinc/46/28/73/527462873.db2.gz FHTHRXMUTYRSAI-UHFFFAOYSA-N 0 3 288.395 2.051 10 0 CEAEHN Cc1nn(C)c(-n2ccc(C3CC3)n2)c1CNC(C)C ZINC000052884823 527597201 /nfs/dbraw/zinc/59/72/01/527597201.db2.gz XWFLYQQZEHVOKH-UHFFFAOYSA-N 0 3 273.384 2.290 10 0 CEAEHN Cn1nccc1[C@@H](N)c1cccc(Br)c1 ZINC000069020484 527623492 /nfs/dbraw/zinc/62/34/92/527623492.db2.gz UKUDROSBGPNOLZ-NSHDSACASA-N 0 3 266.142 2.231 10 0 CEAEHN Cc1nn(C)c(N2CCCSCC2)c1CNCC(C)C ZINC000062736815 527675751 /nfs/dbraw/zinc/67/57/51/527675751.db2.gz OOLPXOLHPLGPHI-UHFFFAOYSA-N 0 3 296.484 2.417 10 0 CEAEHN CCC[C@H](C(=O)N1CCO[C@H](c2cccs2)C1)N(C)C ZINC000155003187 527975166 /nfs/dbraw/zinc/97/51/66/527975166.db2.gz BGRMHRIXUPAGFK-OLZOCXBDSA-N 0 3 296.436 2.378 10 0 CEAEHN CCO[C@H](C)c1noc(CN(C)C[C@H]2CCCN2CC)n1 ZINC000175356118 528018629 /nfs/dbraw/zinc/01/86/29/528018629.db2.gz CDAUTMJMAFWRPP-CHWSQXEVSA-N 0 3 296.415 2.083 10 0 CEAEHN CCCC1(CNC(=O)N[C@H]2CCCN(CC)C2)CC1 ZINC000177270993 528055152 /nfs/dbraw/zinc/05/51/52/528055152.db2.gz QVAVLIOHQZKAFI-ZDUSSCGKSA-N 0 3 267.417 2.350 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc([C@@H](C)O)c(O)c2)CC1 ZINC000093672547 535565621 /nfs/dbraw/zinc/56/56/21/535565621.db2.gz GKSYMZHEADGRLG-CHWSQXEVSA-N 0 3 278.396 2.366 10 0 CEAEHN COC(=O)[C@@H](C)[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000093036269 536442890 /nfs/dbraw/zinc/44/28/90/536442890.db2.gz LDLVIANOGQFRGL-UONOGXRCSA-N 0 3 276.380 2.006 10 0 CEAEHN CC1(C)CN[C@]2(CCSC2)O[C@@]12CCCOC2 ZINC000757143485 574510289 /nfs/dbraw/zinc/51/02/89/574510289.db2.gz LVJRMCRMNZSOST-CHWSQXEVSA-N 0 3 257.399 2.015 10 0 CEAEHN CO[C@@H](CN)c1sc(C)cc1Br ZINC000757166959 574511192 /nfs/dbraw/zinc/51/11/92/574511192.db2.gz LYTXQWRXRCSVOD-ZETCQYMHSA-N 0 3 250.161 2.465 10 0 CEAEHN COc1ccc(F)cc1CNCC[C@@H]1CCCO1 ZINC000385262848 574771032 /nfs/dbraw/zinc/77/10/32/574771032.db2.gz AYICHYKYWOHJHQ-ZDUSSCGKSA-N 0 3 253.317 2.493 10 0 CEAEHN OCCN1CCC[C@H](NCc2cccc(Cl)c2F)C1 ZINC000384794902 574842250 /nfs/dbraw/zinc/84/22/50/574842250.db2.gz XKMLALVNSVIWBD-LBPRGKRZSA-N 0 3 286.778 2.025 10 0 CEAEHN C[C@H]1[C@H](NC(=O)n2ccnc2)CCN1Cc1ccccc1 ZINC000309865297 628072100 /nfs/dbraw/zinc/07/21/00/628072100.db2.gz FGGNKNWLQJIWES-DZGCQCFKSA-N 0 3 284.363 2.104 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=S)NC1CC1 ZINC000309916242 628145244 /nfs/dbraw/zinc/14/52/44/628145244.db2.gz UKBWFEOBKXQLIG-LBPRGKRZSA-N 0 3 277.437 2.133 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000237038465 629252183 /nfs/dbraw/zinc/25/21/83/629252183.db2.gz UXCOHZRKKIWAHL-TVQRCGJNSA-N 0 3 268.332 2.171 10 0 CEAEHN COc1c(C)cnc(CNC[C@H](O)C(C)(C)C)c1C ZINC000324433889 640574477 /nfs/dbraw/zinc/57/44/77/640574477.db2.gz CBMIVPVQYMCMCT-ZDUSSCGKSA-N 0 3 266.385 2.204 10 0 CEAEHN CC(C)(C)c1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000132058503 652492593 /nfs/dbraw/zinc/49/25/93/652492593.db2.gz URHHKLKIWGQHLC-UHFFFAOYSA-N 0 3 276.380 2.431 10 0 CEAEHN C[C@H]1CC[C@@H](C(=O)NCCCN(C)Cc2ccccc2)O1 ZINC000124642142 187147344 /nfs/dbraw/zinc/14/73/44/187147344.db2.gz DAQOGKMAZGBEKN-HOCLYGCPSA-N 0 3 290.407 2.192 10 0 CEAEHN Cc1cc([C@@H](C)NC(=O)C2(N)CCOCC2)c(C)s1 ZINC000127772700 187331563 /nfs/dbraw/zinc/33/15/63/187331563.db2.gz FPPNWNPUGBPQBA-SNVBAGLBSA-N 0 3 282.409 2.050 10 0 CEAEHN O=C(OCCNCc1ccccc1)c1cccnc1 ZINC000082690069 178183758 /nfs/dbraw/zinc/18/37/58/178183758.db2.gz VTOLQTJMIWFRRU-UHFFFAOYSA-N 0 3 256.305 2.028 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCOCC1)c1ccc(Cl)s1 ZINC000127779853 187332426 /nfs/dbraw/zinc/33/24/26/187332426.db2.gz YZUNUCOYHJWEAC-QMMMGPOBSA-N 0 3 288.800 2.087 10 0 CEAEHN CN(Cc1ccccc1N)C[C@H](O)c1ccccc1 ZINC000033979552 361787878 /nfs/dbraw/zinc/78/78/78/361787878.db2.gz DVGIYWMJXYCEFJ-INIZCTEOSA-N 0 3 256.349 2.434 10 0 CEAEHN C[C@@H](CCO)N1CCN(c2cccc(Cl)c2)CC1 ZINC000034460121 361792159 /nfs/dbraw/zinc/79/21/59/361792159.db2.gz YZKLGHNNUDUKIJ-LBPRGKRZSA-N 0 3 268.788 2.233 10 0 CEAEHN CC(C)COc1ccc([C@H](C)N[C@H](C)C(N)=O)cc1 ZINC000035792858 361823295 /nfs/dbraw/zinc/82/32/95/361823295.db2.gz UMNSZUOLCLHGHL-NWDGAFQWSA-N 0 3 264.369 2.246 10 0 CEAEHN N[C@H](c1cncn1Cc1cccs1)[C@@H]1CCOC1 ZINC000097013768 185151701 /nfs/dbraw/zinc/15/17/01/185151701.db2.gz BPFRUYREPCJIJX-MFKMUULPSA-N 0 3 263.366 2.029 10 0 CEAEHN Cc1cc(NCCC(=O)N(C)C)c2ccccc2n1 ZINC000037752184 361929893 /nfs/dbraw/zinc/92/98/93/361929893.db2.gz JKYLZGVYSXQXDY-UHFFFAOYSA-N 0 3 257.337 2.433 10 0 CEAEHN COc1ccc(CN2CCC[C@H](O)[C@@H]2C)cc1OC ZINC000294972933 199277781 /nfs/dbraw/zinc/27/77/81/199277781.db2.gz JFXGMWQKRZFHOC-AAEUAGOBSA-N 0 3 265.353 2.049 10 0 CEAEHN NC[C@@H]1CN(Cc2ccccc2)c2ccccc2O1 ZINC000038999775 361986124 /nfs/dbraw/zinc/98/61/24/361986124.db2.gz IWRIXOAXBXJVAH-CQSZACIVSA-N 0 3 254.333 2.413 10 0 CEAEHN O=C1C(CNCc2ccccc2)=CC2=CC=C[C@@H]3CCN1[C@H]23 ZINC000039287455 361988027 /nfs/dbraw/zinc/98/80/27/361988027.db2.gz XBTUVTRHDJGMFX-QAPCUYQASA-N 0 3 292.382 2.430 10 0 CEAEHN Cc1cc(Br)cc2c1NC[C@@]21C[C@H]1N ZINC000725247299 539192436 /nfs/dbraw/zinc/19/24/36/539192436.db2.gz LXBCVNIIDXHMMF-KOLCDFICSA-N 0 3 253.143 2.152 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccsc2)C1 ZINC000092052689 539229558 /nfs/dbraw/zinc/22/95/58/539229558.db2.gz RHXBAVLDCGSGPK-WCQYABFASA-N 0 3 254.399 2.119 10 0 CEAEHN O[C@@H](COCc1ccccc1)CN1CCC(F)(F)CC1 ZINC000405173709 539221543 /nfs/dbraw/zinc/22/15/43/539221543.db2.gz XSXRXFWQXKWKKB-CQSZACIVSA-N 0 3 285.334 2.295 10 0 CEAEHN COc1ccccc1OC[C@@H](O)CNCc1ccccc1 ZINC000032139955 343412049 /nfs/dbraw/zinc/41/20/49/343412049.db2.gz QJDRQGLCRGLWJM-HNNXBMFYSA-N 0 3 287.359 2.225 10 0 CEAEHN C[C@H]1CCCN(c2cc(NC3CCN(C)CC3)ncn2)C1 ZINC000153033194 136394736 /nfs/dbraw/zinc/39/47/36/136394736.db2.gz CNSLPVOYKNASHY-ZDUSSCGKSA-N 0 3 289.427 2.219 10 0 CEAEHN Cn1cnnc1C1CCN(CCOc2ccccc2)CC1 ZINC000065287526 343697240 /nfs/dbraw/zinc/69/72/40/343697240.db2.gz SAUCDFCKTZOGOK-UHFFFAOYSA-N 0 3 286.379 2.074 10 0 CEAEHN CCCn1ccc(CN[C@H](C)CC[S@](C)=O)c1 ZINC000128026310 187346843 /nfs/dbraw/zinc/34/68/43/187346843.db2.gz LMMHDESHDYZSNF-SJKOYZFVSA-N 0 3 256.415 2.145 10 0 CEAEHN c1ccc2c(c1)CCO[C@@H]2CN1CCC2(CC1)OCCO2 ZINC000083630146 178650765 /nfs/dbraw/zinc/65/07/65/178650765.db2.gz CBDASZBYZOUTQE-MRXNPFEDSA-N 0 3 289.375 2.139 10 0 CEAEHN Cc1noc(C2CC2)c1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000129318057 344342590 /nfs/dbraw/zinc/34/25/90/344342590.db2.gz INMSVKVPAGNJMX-LLVKDONJSA-N 0 3 278.356 2.028 10 0 CEAEHN CCN1CCO[C@H](CNC/C=C/c2ccccc2)C1 ZINC000134436142 344374451 /nfs/dbraw/zinc/37/44/51/344374451.db2.gz MEQORXWGYGFKKN-YXMGTMDOSA-N 0 3 260.381 2.010 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000139231762 344392752 /nfs/dbraw/zinc/39/27/52/344392752.db2.gz ZKUNRSXBXDCYQK-UONOGXRCSA-N 0 3 275.396 2.449 10 0 CEAEHN CCC[C@@H](C)CN1CCN(CCOCC)[C@H](C)C1 ZINC000180086772 344505562 /nfs/dbraw/zinc/50/55/62/344505562.db2.gz BJWCWBJOZPCNSH-HUUCEWRRSA-N 0 3 256.434 2.465 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2cc3ccccc3o2)C1 ZINC000170831498 344491012 /nfs/dbraw/zinc/49/10/12/344491012.db2.gz TURHQITVRWRONJ-CYBMUJFWSA-N 0 3 287.363 2.278 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCC(C)(C)c2ccccc2)C1 ZINC000170830244 344491073 /nfs/dbraw/zinc/49/10/73/344491073.db2.gz MSFNYVUJGAQDOS-OAHLLOKOSA-N 0 3 289.423 2.310 10 0 CEAEHN CCCCS[C@@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170864612 344491912 /nfs/dbraw/zinc/49/19/12/344491912.db2.gz FLIKDMSABDSWOU-RYUDHWBXSA-N 0 3 258.431 2.071 10 0 CEAEHN CCOC(=O)C[C@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000233992123 344583120 /nfs/dbraw/zinc/58/31/20/344583120.db2.gz AHWBEJBKZMTJDD-BDAKNGLRSA-N 0 3 291.800 2.366 10 0 CEAEHN CN[C@@H](CN)c1cc(Br)ccc1Cl ZINC000234424957 344584809 /nfs/dbraw/zinc/58/48/09/344584809.db2.gz QLQLHRFOCRVIKS-VIFPVBQESA-N 0 3 263.566 2.322 10 0 CEAEHN COC(=O)c1csc(CNCC[C@@H]2CCCO2)c1 ZINC000602511779 347062553 /nfs/dbraw/zinc/06/25/53/347062553.db2.gz QYCKXZYPWSGBLD-NSHDSACASA-N 0 3 269.366 2.193 10 0 CEAEHN OC[C@@H]1C[C@H]1NCc1ccc(F)c(Br)c1 ZINC000308903315 344728670 /nfs/dbraw/zinc/72/86/70/344728670.db2.gz CRJOWJQRTUEGHT-GZMMTYOYSA-N 0 3 274.133 2.059 10 0 CEAEHN CC(C)CNc1ncc(CN)cc1Br ZINC000306254276 344712462 /nfs/dbraw/zinc/71/24/62/344712462.db2.gz WHAMBAMLNIZOGU-UHFFFAOYSA-N 0 3 258.163 2.371 10 0 CEAEHN Nc1ccc(N[C@H]2CCCN(Cc3ccncc3)CC2)cn1 ZINC000328625299 344756172 /nfs/dbraw/zinc/75/61/72/344756172.db2.gz CYJPPMGBSGATPD-HNNXBMFYSA-N 0 3 297.406 2.356 10 0 CEAEHN COC(=O)c1csc(CNC[C@@H](O)C(C)(C)C)c1 ZINC000602561423 347078552 /nfs/dbraw/zinc/07/85/52/347078552.db2.gz FISQZVQZVGVHGH-LLVKDONJSA-N 0 3 271.382 2.031 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CO[C@@H](C)C2)c1C ZINC000402280782 344872282 /nfs/dbraw/zinc/87/22/82/344872282.db2.gz FZROYFMIGJBADW-KWBADKCTSA-N 0 3 251.374 2.348 10 0 CEAEHN CN[C@H](C[S@](=O)CCOC)c1c(C)cc(C)cc1C ZINC000084036192 178776147 /nfs/dbraw/zinc/77/61/47/178776147.db2.gz GHQQBVUFEAUCNH-KUHUBIRLSA-N 0 3 283.437 2.267 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000054075034 362510455 /nfs/dbraw/zinc/51/04/55/362510455.db2.gz OADSHCPXRHCJAR-NXEZZACHSA-N 0 3 254.761 2.467 10 0 CEAEHN C[C@H](NCCN1CCOCC1)c1ccc(Cl)s1 ZINC000035285901 232175230 /nfs/dbraw/zinc/17/52/30/232175230.db2.gz HFVDPHBOHUTAQY-JTQLQIEISA-N 0 3 274.817 2.384 10 0 CEAEHN CN(CCO)CCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000623091758 349936191 /nfs/dbraw/zinc/93/61/91/349936191.db2.gz RCVDOQYVAQNVAE-UHFFFAOYSA-N 0 3 291.222 2.349 10 0 CEAEHN C[C@H]1CC[C@@H](O[C@@H](CN)c2cnn(C)c2)C[C@@H]1C ZINC000085011398 178942353 /nfs/dbraw/zinc/94/23/53/178942353.db2.gz PMVWPDAMULBRJP-VTPLQMEGSA-N 0 3 251.374 2.261 10 0 CEAEHN CCOCC[C@@H](NC)c1ccccc1OCCOC ZINC000097415146 185599176 /nfs/dbraw/zinc/59/91/76/185599176.db2.gz AAUKMCCGKIYHPM-CQSZACIVSA-N 0 3 267.369 2.399 10 0 CEAEHN COCC1CCN(Cc2ccc(N)cc2F)CC1 ZINC000085146628 178956741 /nfs/dbraw/zinc/95/67/41/178956741.db2.gz OMMNTAXBTNNIRU-UHFFFAOYSA-N 0 3 252.333 2.266 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1Cl ZINC000128351036 187365192 /nfs/dbraw/zinc/36/51/92/187365192.db2.gz ILBUXVVXLJMCJI-GFCCVEGCSA-N 0 3 266.772 2.425 10 0 CEAEHN COC(=O)c1ccccc1CN1CC[C@H](c2cnn(C)c2)C1 ZINC000128348428 187365586 /nfs/dbraw/zinc/36/55/86/187365586.db2.gz JOPNPXCYHWAWJT-ZDUSSCGKSA-N 0 3 299.374 2.196 10 0 CEAEHN CCN[C@@H](C)c1cc(F)c(C)cc1N1CCS(=O)CC1 ZINC000094766158 136514479 /nfs/dbraw/zinc/51/44/79/136514479.db2.gz WHMSGCKBKGSBPU-LBPRGKRZSA-N 0 3 298.427 2.373 10 0 CEAEHN CCC(CC)([C@@H](NN)c1ccc(OC)c(OC)c1)N(C)C ZINC000097586341 185632317 /nfs/dbraw/zinc/63/23/17/185632317.db2.gz SZJBAQSJHUUWGD-HNNXBMFYSA-N 0 3 295.427 2.329 10 0 CEAEHN CCc1ccc(OC[C@H](N)CO)c(C(C)(C)C)c1 ZINC000085282880 179000936 /nfs/dbraw/zinc/00/09/36/179000936.db2.gz ZPWNHHIKDYZNPB-GFCCVEGCSA-N 0 3 251.370 2.245 10 0 CEAEHN N[C@](CO)(COc1cccc(F)c1)c1ccccc1 ZINC000085285469 179003567 /nfs/dbraw/zinc/00/35/67/179003567.db2.gz CWDQYONTOXVACC-OAHLLOKOSA-N 0 3 261.296 2.051 10 0 CEAEHN CC(C)N[C@H](CO)CSc1nc2ccccc2o1 ZINC000085292362 179007872 /nfs/dbraw/zinc/00/78/72/179007872.db2.gz QVWIGHZJAXIIAC-SNVBAGLBSA-N 0 3 266.366 2.279 10 0 CEAEHN CCN[C@H](CO)CSc1nc2ccccc2s1 ZINC000085298716 179009112 /nfs/dbraw/zinc/00/91/12/179009112.db2.gz LUMNUNWPULYUFP-SECBINFHSA-N 0 3 268.407 2.359 10 0 CEAEHN OC[C@H](CSc1ccc(F)c(F)c1)NC1CC1 ZINC000085298104 179009157 /nfs/dbraw/zinc/00/91/57/179009157.db2.gz ACGVHAIEAGJONR-SECBINFHSA-N 0 3 259.321 2.170 10 0 CEAEHN C[C@H]1CN[C@@H](c2ccccc2)CN1CCCn1ccnc1 ZINC000085504284 179084764 /nfs/dbraw/zinc/08/47/64/179084764.db2.gz FCCLBVGNOXKQSH-DOTOQJQBSA-N 0 3 284.407 2.308 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000062983772 362737561 /nfs/dbraw/zinc/73/75/61/362737561.db2.gz BXUTZVBEBOGVQG-AWEZNQCLSA-N 0 3 285.391 2.263 10 0 CEAEHN C[C@H]1CN[C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085504501 179084652 /nfs/dbraw/zinc/08/46/52/179084652.db2.gz GSXIUFRJFIRBJM-DZGCQCFKSA-N 0 3 268.364 2.012 10 0 CEAEHN Cc1nc2ccc(OCCN(C)C)c(N)c2s1 ZINC000085554744 179093263 /nfs/dbraw/zinc/09/32/63/179093263.db2.gz HMLQFLJEWSWSCM-UHFFFAOYSA-N 0 3 251.355 2.127 10 0 CEAEHN CCN1CCC[C@H](n2c3c(nc2C(C)C)CNCC3)C1 ZINC000085572805 179098092 /nfs/dbraw/zinc/09/80/92/179098092.db2.gz NYSAEVPXYSWCTR-ZDUSSCGKSA-N 0 3 276.428 2.309 10 0 CEAEHN CN1CCCC[C@H]1Cn1c2c(nc1C(C)(C)C)CNCC2 ZINC000085572822 179098605 /nfs/dbraw/zinc/09/86/05/179098605.db2.gz YYDFDCNBNCQDBU-ZDUSSCGKSA-N 0 3 290.455 2.311 10 0 CEAEHN CCCn1cc(CN2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000128450339 187371672 /nfs/dbraw/zinc/37/16/72/187371672.db2.gz OCRCLLGYBJUDGX-CQSZACIVSA-N 0 3 273.384 2.016 10 0 CEAEHN Cc1ccc(CN2CCC[C@H](Cn3cncn3)C2)o1 ZINC000128462238 187371722 /nfs/dbraw/zinc/37/17/22/187371722.db2.gz ZZDZEFLOWFKJJW-ZDUSSCGKSA-N 0 3 260.341 2.092 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000236905048 370650591 /nfs/dbraw/zinc/65/05/91/370650591.db2.gz KGLDHIMIEYIQRU-JQWIXIFHSA-N 0 3 294.399 2.422 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000086020325 179217928 /nfs/dbraw/zinc/21/79/28/179217928.db2.gz SYLYDXMIMIFCAT-CVEARBPZSA-N 0 3 293.432 2.261 10 0 CEAEHN O=C(CNC[C@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cc1 ZINC000085987018 179212111 /nfs/dbraw/zinc/21/21/11/179212111.db2.gz FVTNMHFTFZOIBA-RISCZKNCSA-N 0 3 296.798 2.419 10 0 CEAEHN O=C(CNC[C@@H]1CCCC[C@@H]1O)Nc1c(F)cccc1F ZINC000085986707 179212549 /nfs/dbraw/zinc/21/25/49/179212549.db2.gz IFHWSBJYXWQYDL-GWCFXTLKSA-N 0 3 298.333 2.044 10 0 CEAEHN CCN[C@@H](c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086021229 179218882 /nfs/dbraw/zinc/21/88/82/179218882.db2.gz FNTQKKQOKGQCGX-LDYMZIIASA-N 0 3 293.841 2.487 10 0 CEAEHN Cc1nn(Cc2cc(N)ccn2)c(C)c1Br ZINC000086134779 179236233 /nfs/dbraw/zinc/23/62/33/179236233.db2.gz YSGGEICXPHIBLR-UHFFFAOYSA-N 0 3 281.157 2.288 10 0 CEAEHN c1ccc([C@H]2CN(CCc3cccnc3)CCN2)cc1 ZINC000086141953 179236378 /nfs/dbraw/zinc/23/63/78/179236378.db2.gz CNLGCVDDWZHIPP-QGZVFWFLSA-N 0 3 267.376 2.271 10 0 CEAEHN Cc1cc(CN2CCN[C@](C)(c3ccccc3)C2)on1 ZINC000086146366 179239129 /nfs/dbraw/zinc/23/91/29/179239129.db2.gz HLSTUTCJSYZOPH-INIZCTEOSA-N 0 3 271.364 2.304 10 0 CEAEHN CN1CC[C@H](CNc2nc(Br)cs2)C1 ZINC000086278952 179262743 /nfs/dbraw/zinc/26/27/43/179262743.db2.gz BRAVTDLNADEYIU-SSDOTTSWSA-N 0 3 276.203 2.269 10 0 CEAEHN CN1CC[C@@H](CNc2nc(Br)cs2)C1 ZINC000086278954 179263025 /nfs/dbraw/zinc/26/30/25/179263025.db2.gz BRAVTDLNADEYIU-ZETCQYMHSA-N 0 3 276.203 2.269 10 0 CEAEHN CN(C[C@H](O)CN1CCCC[C@H]1c1nccs1)C1CC1 ZINC000336836041 365905635 /nfs/dbraw/zinc/90/56/35/365905635.db2.gz KHNNBIKUMXLIQB-KBPBESRZSA-N 0 3 295.452 2.125 10 0 CEAEHN CCc1ccc([C@H](C)NCCN2C(=O)CCC2=O)cc1 ZINC000129944299 365910727 /nfs/dbraw/zinc/91/07/27/365910727.db2.gz IVRMSZWANONZSX-LBPRGKRZSA-N 0 3 274.364 2.049 10 0 CEAEHN NC[C@@H](c1cc(Cl)cs1)N1CCCOCC1 ZINC000086333329 179273386 /nfs/dbraw/zinc/27/33/86/179273386.db2.gz UTZNZUDJQMAYDH-JTQLQIEISA-N 0 3 260.790 2.124 10 0 CEAEHN CN(C[C@@H]1CCCCO1)c1nc2c(s1)CCC[C@@H]2N ZINC000086443254 179294213 /nfs/dbraw/zinc/29/42/13/179294213.db2.gz LBRUPAGARYXQFC-QWRGUYRKSA-N 0 3 281.425 2.485 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)[C@H](CC)CN1 ZINC000086446363 179294590 /nfs/dbraw/zinc/29/45/90/179294590.db2.gz LQQAAHDXYRUFBR-HUUCEWRRSA-N 0 3 289.423 2.355 10 0 CEAEHN N[C@H]1COC[C@H]1c1nc2ccc(Br)cc2s1 ZINC000086479300 179300524 /nfs/dbraw/zinc/30/05/24/179300524.db2.gz NZARRPHTFJZGSE-SFYZADRCSA-N 0 3 299.193 2.500 10 0 CEAEHN C[C@@H](NCC(C)(C)S(C)(=O)=O)c1cccs1 ZINC000086503450 179303363 /nfs/dbraw/zinc/30/33/63/179303363.db2.gz UDOUOUXZDRTLHG-SECBINFHSA-N 0 3 261.412 2.222 10 0 CEAEHN CC[C@](C)(CO)NCc1cc2c(cc1SC)OCCO2 ZINC000086506910 179303455 /nfs/dbraw/zinc/30/34/55/179303455.db2.gz DQSZELKQTCTGNW-OAHLLOKOSA-N 0 3 297.420 2.430 10 0 CEAEHN CN[C@@H](Cc1sccc1Br)C(OC)OC ZINC000086452088 179296317 /nfs/dbraw/zinc/29/63/17/179296317.db2.gz YEBBUEHZQBOEJH-QMMMGPOBSA-N 0 3 294.214 2.260 10 0 CEAEHN [NH3+]C[C@]([O-])(c1cscc1Br)C(F)(F)F ZINC000086557037 179308107 /nfs/dbraw/zinc/30/81/07/179308107.db2.gz ULRDZJIPUGWZSI-LURJTMIESA-N 0 3 290.104 2.219 10 0 CEAEHN NC[C@](O)(c1cscc1Br)C(F)(F)F ZINC000086557037 179308110 /nfs/dbraw/zinc/30/81/10/179308110.db2.gz ULRDZJIPUGWZSI-LURJTMIESA-N 0 3 290.104 2.219 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@H]1NCCCc1ccccc1 ZINC000086671060 179317834 /nfs/dbraw/zinc/31/78/34/179317834.db2.gz ZHHZOEDFBNLKQG-CABCVRRESA-N 0 3 281.421 2.175 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCC[C@H]2S(C)(=O)=O)s1 ZINC000086675782 179318384 /nfs/dbraw/zinc/31/83/84/179318384.db2.gz QHPYBLPFTQUGJD-VXGBXAGGSA-N 0 3 273.423 2.112 10 0 CEAEHN Cc1ccc(CN[C@H]2CCC[C@@H]2S(C)(=O)=O)s1 ZINC000086675781 179318616 /nfs/dbraw/zinc/31/86/16/179318616.db2.gz QHPYBLPFTQUGJD-RYUDHWBXSA-N 0 3 273.423 2.112 10 0 CEAEHN Cc1nc2ccc(N[C@@H]3CCC[C@H]3S(C)(=O)=O)cc2[nH]1 ZINC000086674537 179318797 /nfs/dbraw/zinc/31/87/97/179318797.db2.gz HNHSHKQSVQILDQ-TZMCWYRMSA-N 0 3 293.392 2.249 10 0 CEAEHN CCOC(=O)CCNCc1cn(C)c2ccccc12 ZINC000086806703 179339195 /nfs/dbraw/zinc/33/91/95/179339195.db2.gz BSZWRLYQCZBZGZ-UHFFFAOYSA-N 0 3 260.337 2.221 10 0 CEAEHN COC(=O)[C@@]1(NC2CCCCCC2)CCCN(C)CC1 ZINC000086833414 179349763 /nfs/dbraw/zinc/34/97/63/179349763.db2.gz GJWVOXJZQLBGJB-MRXNPFEDSA-N 0 3 282.428 2.326 10 0 CEAEHN COc1ccc([C@@]2(O)CCCN(C)CC2)cc1F ZINC000086834055 179350305 /nfs/dbraw/zinc/35/03/05/179350305.db2.gz YMMSZKWVMZZOKH-CQSZACIVSA-N 0 3 253.317 2.138 10 0 CEAEHN CCOC(=O)[C@@]1(N[C@@H](C)CC)CCCN(CC)CC1 ZINC000086850534 179358262 /nfs/dbraw/zinc/35/82/62/179358262.db2.gz YSBOUCOXYFQKBL-DZGCQCFKSA-N 0 3 270.417 2.182 10 0 CEAEHN CCOC(=O)[C@@]1(NCC(C)C)CCCN(C(C)C)CC1 ZINC000086850288 179358399 /nfs/dbraw/zinc/35/83/99/179358399.db2.gz DLNQGQSUQQGXAW-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN COCCN[C@]1(c2nccs2)CCCN(C(C)C)CC1 ZINC000086851702 179359275 /nfs/dbraw/zinc/35/92/75/179359275.db2.gz KJXYCTHFUMGSEJ-OAHLLOKOSA-N 0 3 297.468 2.469 10 0 CEAEHN CC(C)N1CCC[C@@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851774 179359322 /nfs/dbraw/zinc/35/93/22/179359322.db2.gz FCIKISYOBYYGQY-HNNXBMFYSA-N 0 3 280.416 2.415 10 0 CEAEHN C1Cc2nc([C@H]3CSCCS3)sc2CN1 ZINC000086985336 179373846 /nfs/dbraw/zinc/37/38/46/179373846.db2.gz BHJCIJYXFPXBEU-SECBINFHSA-N 0 3 258.437 2.310 10 0 CEAEHN CCOCc1ccccc1CNCCCS(=O)(=O)CC ZINC000086973836 179371653 /nfs/dbraw/zinc/37/16/53/179371653.db2.gz DRHJXYRBMVZSFB-UHFFFAOYSA-N 0 3 299.436 2.138 10 0 CEAEHN CC[C@H](N)c1ccccc1OCCCS(=O)(=O)CC ZINC000086972660 179371719 /nfs/dbraw/zinc/37/17/19/179371719.db2.gz XFYNUNFEYIPZBH-ZDUSSCGKSA-N 0 3 285.409 2.300 10 0 CEAEHN CCC(O)(CC)CNCc1c(OC)nc2sccn12 ZINC000087014993 179380019 /nfs/dbraw/zinc/38/00/19/179380019.db2.gz BREVQKWWPLHQDT-UHFFFAOYSA-N 0 3 283.397 2.045 10 0 CEAEHN CCn1cc([C@H](NC)[C@H]2CSCCS2)cn1 ZINC000086985069 179374185 /nfs/dbraw/zinc/37/41/85/179374185.db2.gz PHCYIZYZDVMARU-MNOVXSKESA-N 0 3 257.428 2.012 10 0 CEAEHN CCN(C[C@@H]1CCCO1)[C@@H](CN)c1ccc(OC)c(F)c1 ZINC000086991810 179375385 /nfs/dbraw/zinc/37/53/85/179375385.db2.gz TZGUPOQNMYUISB-ZFWWWQNUSA-N 0 3 296.386 2.335 10 0 CEAEHN C[C@H](NC[C@@]1(O)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000087048904 179387964 /nfs/dbraw/zinc/38/79/64/179387964.db2.gz MRSAVVRZRSYEIH-MBNYWOFBSA-N 0 3 251.374 2.012 10 0 CEAEHN C[C@@H]1CCC[C@](O)(CN[C@@H]2COc3cc(O)ccc32)C1 ZINC000087048641 179388214 /nfs/dbraw/zinc/38/82/14/179388214.db2.gz DNDHKMHRZQFLIP-DJSGYFEHSA-N 0 3 277.364 2.357 10 0 CEAEHN Cc1ccc(NC(=O)[C@@H](C)NCC2(O)CCCC2)cc1 ZINC000087028798 179382426 /nfs/dbraw/zinc/38/24/26/179382426.db2.gz ZBHGJTYQTLHVHF-CYBMUJFWSA-N 0 3 276.380 2.217 10 0 CEAEHN Cc1nn(C)c(OCc2cccc(Cl)c2)c1CN ZINC000087090617 179394291 /nfs/dbraw/zinc/39/42/91/179394291.db2.gz REJOETOHJBBKEB-UHFFFAOYSA-N 0 3 265.744 2.420 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2cccc(OC)c2OC)O1 ZINC000087090156 179394341 /nfs/dbraw/zinc/39/43/41/179394341.db2.gz FXWGLJWXDBMLMI-MFKMUULPSA-N 0 3 251.326 2.143 10 0 CEAEHN Cc1ccccc1NC(=O)CNC[C@@]1(O)CCC[C@@H](C)C1 ZINC000087065624 179390423 /nfs/dbraw/zinc/39/04/23/179390423.db2.gz SUSFALXEEAFXAH-CXAGYDPISA-N 0 3 290.407 2.464 10 0 CEAEHN C[C@@H](NCC1(O)CCCCCC1)C(=O)N1CCCCC1 ZINC000087089202 179393424 /nfs/dbraw/zinc/39/34/24/179393424.db2.gz FRSXRTPIJLKOIK-CQSZACIVSA-N 0 3 282.428 2.062 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2cccc(OC)c2OC)O1 ZINC000087090154 179394200 /nfs/dbraw/zinc/39/42/00/179394200.db2.gz FXWGLJWXDBMLMI-ZWNOBZJWSA-N 0 3 251.326 2.143 10 0 CEAEHN NCc1cn(-c2ccc(Cl)c(Br)c2)nn1 ZINC000087153403 179398054 /nfs/dbraw/zinc/39/80/54/179398054.db2.gz AUISOGSYGXCXLU-UHFFFAOYSA-N 0 3 287.548 2.142 10 0 CEAEHN CCN1CCC(O)(Cc2ccc(OC)c(F)c2)CC1 ZINC000087165792 179398497 /nfs/dbraw/zinc/39/84/97/179398497.db2.gz RMSHDOMFMGRVKO-UHFFFAOYSA-N 0 3 267.344 2.224 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1COCCCN1C(C)(C)C ZINC000616646193 348546119 /nfs/dbraw/zinc/54/61/19/348546119.db2.gz ULDXNXVCYMAMID-GFCCVEGCSA-N 0 3 286.416 2.401 10 0 CEAEHN CC(C)N1CCOC[C@H](c2ccc3nnccc3c2)C1 ZINC000616660568 348552192 /nfs/dbraw/zinc/55/21/92/348552192.db2.gz NTJUXLKMXRJNMS-OAHLLOKOSA-N 0 3 271.364 2.454 10 0 CEAEHN CN1CCc2ccccc2[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616588245 348526803 /nfs/dbraw/zinc/52/68/03/348526803.db2.gz PLYDQHVANSQARH-INIZCTEOSA-N 0 3 266.344 2.363 10 0 CEAEHN CCN1CCOCC[C@H]1c1ccc2nnccc2c1 ZINC000616597659 348528896 /nfs/dbraw/zinc/52/88/96/348528896.db2.gz HATFMXZURJQUJN-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(C)N1CCOCC[C@@H]1c1cccc(CCO)c1 ZINC000616597614 348529297 /nfs/dbraw/zinc/52/92/97/348529297.db2.gz DSDRUKWOUCIDBI-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN C[C@](CO)(CN1CCCCc2ccccc21)NC1CC1 ZINC000088336961 179579285 /nfs/dbraw/zinc/57/92/85/179579285.db2.gz SYXUUZLZVWAAAL-QGZVFWFLSA-N 0 3 274.408 2.332 10 0 CEAEHN N[C@H](Cc1ccncc1Cl)[C@H]1COc2ccccc2O1 ZINC000088789611 179672582 /nfs/dbraw/zinc/67/25/82/179672582.db2.gz SZWJICGHKZDSFW-IUODEOHRSA-N 0 3 290.750 2.445 10 0 CEAEHN CCCCNS(=O)(=O)c1cc(CNC)ccc1CC ZINC000088983573 179690005 /nfs/dbraw/zinc/69/00/05/179690005.db2.gz OYXFEYBNGCYZDF-UHFFFAOYSA-N 0 3 284.425 2.047 10 0 CEAEHN CCCCN(C1CC1)S(=O)(=O)c1cc(CN)cs1 ZINC000088995291 179690923 /nfs/dbraw/zinc/69/09/23/179690923.db2.gz BNUKSHLOCKYCNH-UHFFFAOYSA-N 0 3 288.438 2.160 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089131977 179713390 /nfs/dbraw/zinc/71/33/90/179713390.db2.gz DVCBERTYRBCIER-TZMCWYRMSA-N 0 3 276.380 2.290 10 0 CEAEHN CCOc1ccc(OCCN2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000401494162 233182614 /nfs/dbraw/zinc/18/26/14/233182614.db2.gz ISJNVKSXWSUJMZ-KBPBESRZSA-N 0 3 279.380 2.167 10 0 CEAEHN C[C@H]1C[C@H](O)CN(CCCC(=O)c2ccccc2)C1 ZINC000401761652 233185158 /nfs/dbraw/zinc/18/51/58/233185158.db2.gz SHONJMXJJDYJIF-ZFWWWQNUSA-N 0 3 261.365 2.352 10 0 CEAEHN CCCNCc1ccn(Cc2cc(CC)nn2CC)n1 ZINC000089207557 179754113 /nfs/dbraw/zinc/75/41/13/179754113.db2.gz LKNMULSNXYBNNS-UHFFFAOYSA-N 0 3 275.400 2.210 10 0 CEAEHN Cc1ccc(NC(=O)CNC[C@H]2CCCC[C@H]2CO)cc1 ZINC000089527373 179810013 /nfs/dbraw/zinc/81/00/13/179810013.db2.gz JWAXMHIYDIMLRR-CABCVRRESA-N 0 3 290.407 2.322 10 0 CEAEHN CC(C)CNCc1cn(-c2ccc(F)c(F)c2)nn1 ZINC000090299565 179953024 /nfs/dbraw/zinc/95/30/24/179953024.db2.gz CKVGUHJONHZFAT-UHFFFAOYSA-N 0 3 266.295 2.291 10 0 CEAEHN CCn1c2ccc(Cl)cc2nc1[C@@]1(C)COC[C@H]1N ZINC000090571739 180007308 /nfs/dbraw/zinc/00/73/08/180007308.db2.gz UBJYXKGQMDAPKH-OCCSQVGLSA-N 0 3 279.771 2.325 10 0 CEAEHN CC(C)c1ccc(-c2noc([C@@]3(C)COC[C@@H]3N)n2)cc1 ZINC000090573418 180008023 /nfs/dbraw/zinc/00/80/23/180008023.db2.gz UOKQXLAEXJRAPV-BBRMVZONSA-N 0 3 287.363 2.475 10 0 CEAEHN CC(C)(c1noc([C@@]2(C)COC[C@H]2N)n1)c1ccccc1 ZINC000090573803 180008056 /nfs/dbraw/zinc/00/80/56/180008056.db2.gz VZGSDLKVTJQLPD-WBMJQRKESA-N 0 3 287.363 2.011 10 0 CEAEHN C[C@@]1(C(=O)Nc2cc(Cl)ccc2Cl)COC[C@@H]1N ZINC000090580138 180008291 /nfs/dbraw/zinc/00/82/91/180008291.db2.gz BWVHTTHBRRDRRE-CMPLNLGQSA-N 0 3 289.162 2.296 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccccc2C(F)(F)F)COC[C@@H]1N ZINC000090580301 180008724 /nfs/dbraw/zinc/00/87/24/180008724.db2.gz LLSWDPUZTJBTEQ-CMPLNLGQSA-N 0 3 288.269 2.008 10 0 CEAEHN CC(C)CCN(CCC(C)C)C(=O)[C@@]1(C)COC[C@@H]1N ZINC000090591429 180010250 /nfs/dbraw/zinc/01/02/50/180010250.db2.gz AJTAXNBCDGIFKK-HOCLYGCPSA-N 0 3 284.444 2.271 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@]1(C)COC[C@H]1N ZINC000090590025 180010256 /nfs/dbraw/zinc/01/02/56/180010256.db2.gz BTEYXAPPDBFCON-TZMCWYRMSA-N 0 3 280.393 2.101 10 0 CEAEHN CC(C)CCCCCCNC(=O)[C@@]1(C)COC[C@H]1N ZINC000090598606 180010572 /nfs/dbraw/zinc/01/05/72/180010572.db2.gz MTSAEXZCIAWOAK-HIFRSBDPSA-N 0 3 270.417 2.073 10 0 CEAEHN CCOc1ccc(NC(=O)[C@]2(C)COC[C@@H]2N)cc1Cl ZINC000090589794 180010619 /nfs/dbraw/zinc/01/06/19/180010619.db2.gz NEEXEJCGBJTZCB-GXTWGEPZSA-N 0 3 298.770 2.041 10 0 CEAEHN C[C@]1(C(=O)Nc2c(Cl)cccc2Cl)COC[C@H]1N ZINC000090605895 180011360 /nfs/dbraw/zinc/01/13/60/180011360.db2.gz MAQSWXOEALFRCG-SKDRFNHKSA-N 0 3 289.162 2.296 10 0 CEAEHN C[C@@H](OCCCC[C@@](C)(NC1CC1)C(N)=O)C(F)(F)F ZINC000090674103 180021407 /nfs/dbraw/zinc/02/14/07/180021407.db2.gz CHFIAUKJYKYALV-BXKDBHETSA-N 0 3 296.333 2.120 10 0 CEAEHN CC(C)NCc1ccc(O[C@H](C)C(F)(F)F)nn1 ZINC000090675365 180022551 /nfs/dbraw/zinc/02/25/51/180022551.db2.gz PSYPZEQQMUJVAZ-MRVPVSSYSA-N 0 3 263.263 2.304 10 0 CEAEHN CN[C@H](c1cnccc1C)[C@H]1COc2ccccc2O1 ZINC000090710181 180028002 /nfs/dbraw/zinc/02/80/02/180028002.db2.gz WLJRONVJZXMGOW-HZPDHXFCSA-N 0 3 270.332 2.491 10 0 CEAEHN COC(=O)c1cc(N[C@@H](C)CN2CCCCC2)ccn1 ZINC000090737679 180034425 /nfs/dbraw/zinc/03/44/25/180034425.db2.gz YMFLJZBYKOXXPD-LBPRGKRZSA-N 0 3 277.368 2.155 10 0 CEAEHN CCOc1cc(N2CCNCc3ccccc32)nc(C)n1 ZINC000090787847 180041490 /nfs/dbraw/zinc/04/14/90/180041490.db2.gz GTMNJXISPJNHEC-UHFFFAOYSA-N 0 3 284.363 2.425 10 0 CEAEHN COc1cc(NCCN2CCCCCC2)nc(C)n1 ZINC000090792040 180042534 /nfs/dbraw/zinc/04/25/34/180042534.db2.gz GQIMDOYDJNOBGP-UHFFFAOYSA-N 0 3 264.373 2.082 10 0 CEAEHN CCOc1cc(N[C@H](CN(C)C)C(C)C)nc(C)n1 ZINC000090792139 180043093 /nfs/dbraw/zinc/04/30/93/180043093.db2.gz VVBCSMKRMIMBRK-GFCCVEGCSA-N 0 3 266.389 2.182 10 0 CEAEHN C[C@H](CN[C@@H]1CCCc2sccc21)[S@](C)=O ZINC000090841616 180043682 /nfs/dbraw/zinc/04/36/82/180043682.db2.gz UCTZOCIHZYQIMF-ZYSBLVPFSA-N 0 3 257.424 2.482 10 0 CEAEHN CNC(=O)CCCSc1cccc(CNCCOC)c1 ZINC000090873145 180049690 /nfs/dbraw/zinc/04/96/90/180049690.db2.gz PNYFBSFMODGLCT-UHFFFAOYSA-N 0 3 296.436 2.041 10 0 CEAEHN CCNCc1cnc(C)n1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895632 180055784 /nfs/dbraw/zinc/05/57/84/180055784.db2.gz LUUGGRVSBDCPJW-OAHLLOKOSA-N 0 3 289.354 2.444 10 0 CEAEHN COC(=O)CCCN(C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894727 180056361 /nfs/dbraw/zinc/05/63/61/180056361.db2.gz RKFSHDZETHTFRB-ZDUSSCGKSA-N 0 3 281.327 2.014 10 0 CEAEHN CCNCc1cn(C[C@@H]2Cc3cc(F)ccc3O2)nc1C ZINC000090895595 180056393 /nfs/dbraw/zinc/05/63/93/180056393.db2.gz YWXSGZOAAZXDJC-HNNXBMFYSA-N 0 3 289.354 2.444 10 0 CEAEHN Fc1ccc2c(c1)C[C@@H](Cn1nccc1CNC1CC1)O2 ZINC000090895616 180056429 /nfs/dbraw/zinc/05/64/29/180056429.db2.gz VFRRMDTXSFPFCE-HNNXBMFYSA-N 0 3 287.338 2.278 10 0 CEAEHN OC[C@H]1CCCN(C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900914 180059126 /nfs/dbraw/zinc/05/91/26/180059126.db2.gz COSFZJPPEQENPF-FZMZJTMJSA-N 0 3 281.783 2.348 10 0 CEAEHN Cc1ccc([C@@H](N)CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906132 180060851 /nfs/dbraw/zinc/06/08/51/180060851.db2.gz WTCMYOBHBPCDEN-LZWOXQAQSA-N 0 3 260.381 2.166 10 0 CEAEHN Cc1cc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c(C)s1 ZINC000090905895 180061141 /nfs/dbraw/zinc/06/11/41/180061141.db2.gz HCXYUZQZCSXAGN-MBNYWOFBSA-N 0 3 266.410 2.228 10 0 CEAEHN Cc1nc(N2C[C@H]3CC[C@@H](C2)O3)sc1CNC1CC1 ZINC000090908164 180062319 /nfs/dbraw/zinc/06/23/19/180062319.db2.gz UKGVBCYKJRPDOI-TXEJJXNPSA-N 0 3 279.409 2.071 10 0 CEAEHN CCCNCc1ccoc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907839 180062421 /nfs/dbraw/zinc/06/24/21/180062421.db2.gz XDKLNHFRVGQPCM-OKILXGFUSA-N 0 3 264.369 2.142 10 0 CEAEHN CC(=O)Nc1ccsc1CNCCN1CCCCC1 ZINC000090960474 180075669 /nfs/dbraw/zinc/07/56/69/180075669.db2.gz ORMWNFAWTXUDDE-UHFFFAOYSA-N 0 3 281.425 2.282 10 0 CEAEHN CN(C(=O)[C@H]1Cc2ccccc21)c1cccc(CN)c1 ZINC000090982658 180079597 /nfs/dbraw/zinc/07/95/97/180079597.db2.gz DOFPQAGTEBOTEG-INIZCTEOSA-N 0 3 266.344 2.448 10 0 CEAEHN N[C@H](CNC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC000090985443 180080717 /nfs/dbraw/zinc/08/07/17/180080717.db2.gz PNJVJNOIBUDBLP-JKSUJKDBSA-N 0 3 266.344 2.143 10 0 CEAEHN O=C([C@@H]1Cc2ccccc21)N1CCNCC12CCCCC2 ZINC000090985602 180080866 /nfs/dbraw/zinc/08/08/66/180080866.db2.gz YTUJGZXJWRSRRZ-MRXNPFEDSA-N 0 3 284.403 2.461 10 0 CEAEHN NCc1cccn1Cc1cnn(-c2ccccc2)c1 ZINC000090995116 180082831 /nfs/dbraw/zinc/08/28/31/180082831.db2.gz FDWXILIGSOCHSY-UHFFFAOYSA-N 0 3 252.321 2.181 10 0 CEAEHN COCCNCc1cccn1CCCOCC(F)(F)F ZINC000091002199 180083979 /nfs/dbraw/zinc/08/39/79/180083979.db2.gz IUIARTREMPCELU-UHFFFAOYSA-N 0 3 294.317 2.193 10 0 CEAEHN CCc1c(CNCCOC)cnn1-c1ccccc1 ZINC000091335026 180136656 /nfs/dbraw/zinc/13/66/56/180136656.db2.gz PKOIKMBEMAFBEP-UHFFFAOYSA-N 0 3 259.353 2.171 10 0 CEAEHN COCCNCc1ccccc1SC[C@@H](C)CO ZINC000091259765 180115685 /nfs/dbraw/zinc/11/56/85/180115685.db2.gz HEXBDWGFQMEDBT-LBPRGKRZSA-N 0 3 269.410 2.143 10 0 CEAEHN CN[C@@H](CSC[C@@H](C)CO)c1ccc2c(c1)OCO2 ZINC000091261399 180115765 /nfs/dbraw/zinc/11/57/65/180115765.db2.gz VSHIIZIYFIGIOI-JQWIXIFHSA-N 0 3 283.393 2.037 10 0 CEAEHN COc1ccccc1[C@H](N)CSC[C@H](C)CO ZINC000091261602 180115978 /nfs/dbraw/zinc/11/59/78/180115978.db2.gz GEKRVWGFVHOIFC-ZYHUDNBSSA-N 0 3 255.383 2.057 10 0 CEAEHN CC(C)n1cncc1[C@@H](O)[C@H]1NCCc2ccccc21 ZINC000091273572 180118034 /nfs/dbraw/zinc/11/80/34/180118034.db2.gz XLGPPWHVCDGASN-JKSUJKDBSA-N 0 3 271.364 2.384 10 0 CEAEHN CC(C)n1cncc1[C@H](CO)NC1CCCCC1 ZINC000091273834 180118184 /nfs/dbraw/zinc/11/81/84/180118184.db2.gz VGOCDXGNQSPXMY-ZDUSSCGKSA-N 0 3 251.374 2.420 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCc1cncn1C1CC1 ZINC000091275366 180118657 /nfs/dbraw/zinc/11/86/57/180118657.db2.gz STGIHBBKLPZOJP-CYBMUJFWSA-N 0 3 264.417 2.284 10 0 CEAEHN CCCN1C(=O)CCC[C@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275594 180118726 /nfs/dbraw/zinc/11/87/26/180118726.db2.gz VVXAMCDNRIFIBJ-SWLSCSKDSA-N 0 3 276.384 2.009 10 0 CEAEHN CCCN(C(C)C)[C@H](CN)c1cncn1C1CC1 ZINC000091276226 180119802 /nfs/dbraw/zinc/11/98/02/180119802.db2.gz QPRQZMJLLRPOOH-CYBMUJFWSA-N 0 3 250.390 2.338 10 0 CEAEHN Cc1ccc2c(c1)nc(C[C@@H]1CNCCO1)n2C1CC1 ZINC000091293203 180124328 /nfs/dbraw/zinc/12/43/28/180124328.db2.gz ASXZYXTYRYHXNL-CYBMUJFWSA-N 0 3 271.364 2.211 10 0 CEAEHN C[C@H](NC1CC(O)C1)c1ccc(OC(F)F)cc1 ZINC000091429949 180152885 /nfs/dbraw/zinc/15/28/85/180152885.db2.gz QAXYSHGWYAHELD-PUSIOWJLSA-N 0 3 257.280 2.462 10 0 CEAEHN C[C@@H](NC1CC(O)C1)c1ccc(OC(F)F)cc1 ZINC000091429951 180153008 /nfs/dbraw/zinc/15/30/08/180153008.db2.gz QAXYSHGWYAHELD-MFAVDMRSSA-N 0 3 257.280 2.462 10 0 CEAEHN CC(C)CNCc1cncc(OCCOC(C)C)n1 ZINC000091433619 180154572 /nfs/dbraw/zinc/15/45/72/180154572.db2.gz HKUWWXAFHCLRFQ-UHFFFAOYSA-N 0 3 267.373 2.026 10 0 CEAEHN Cc1cc([C@H]2[C@@H](N)CCC(=O)N2C)ccc1Br ZINC000091476139 180166316 /nfs/dbraw/zinc/16/63/16/180166316.db2.gz BUODJWXZSIDFLS-AAEUAGOBSA-N 0 3 297.196 2.378 10 0 CEAEHN Cc1ccc(C[C@H](N)c2cccc3c2OCCO3)nc1 ZINC000091385260 180143715 /nfs/dbraw/zinc/14/37/15/180143715.db2.gz CAUVOEMJNCOYAQ-AWEZNQCLSA-N 0 3 270.332 2.404 10 0 CEAEHN CNCc1cncc(N2CC[C@@H](c3ccccc3)C2)n1 ZINC000091418117 180150015 /nfs/dbraw/zinc/15/00/15/180150015.db2.gz LKCRMUSNMHQRID-CQSZACIVSA-N 0 3 268.364 2.190 10 0 CEAEHN CNCc1cncc(N(C)[C@@H](C)c2cccs2)n1 ZINC000091419901 180150868 /nfs/dbraw/zinc/15/08/68/180150868.db2.gz SFAMUGJRYYAEHW-JTQLQIEISA-N 0 3 262.382 2.455 10 0 CEAEHN CCCNCc1cncc(N(CCOC)[C@@H](C)CC)n1 ZINC000091420647 180150878 /nfs/dbraw/zinc/15/08/78/180150878.db2.gz XOCNOHKNKXNNDG-ZDUSSCGKSA-N 0 3 280.416 2.228 10 0 CEAEHN CN(c1cncc(CNC(C)(C)C)n1)[C@@H]1CCSC1 ZINC000091419192 180150927 /nfs/dbraw/zinc/15/09/27/180150927.db2.gz JEWFJLJWXAXWBY-GFCCVEGCSA-N 0 3 280.441 2.306 10 0 CEAEHN CC(C)CNCc1cncc(-n2ccc(C(F)(F)F)n2)n1 ZINC000091422468 180151177 /nfs/dbraw/zinc/15/11/77/180151177.db2.gz PPRZTLOEWJNFEI-UHFFFAOYSA-N 0 3 299.300 2.427 10 0 CEAEHN Cc1cccc([C@H](N)C(C)(C)N2CCOCC2)c1C ZINC000091566309 180193906 /nfs/dbraw/zinc/19/39/06/180193906.db2.gz WJMOPKPZBLOFOJ-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN CN[C@H](c1cc(F)ccc1F)C(C)(C)N1CCOCC1 ZINC000091566435 180194155 /nfs/dbraw/zinc/19/41/55/180194155.db2.gz UBJCKMANYJEANT-CQSZACIVSA-N 0 3 284.350 2.336 10 0 CEAEHN CCc1ccc([C@H](N)C(C)(C)N2CCOCC2)cc1 ZINC000091566337 180194210 /nfs/dbraw/zinc/19/42/10/180194210.db2.gz PRCJRYPCEQENRV-HNNXBMFYSA-N 0 3 262.397 2.360 10 0 CEAEHN CCCc1nn(C)c(N[C@@H](C)CN2CCCCC2)c1N ZINC000091578150 180197652 /nfs/dbraw/zinc/19/76/52/180197652.db2.gz XFQVZJYDWYIYCH-LBPRGKRZSA-N 0 3 279.432 2.241 10 0 CEAEHN CCCC1CCC(N[C@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000105101803 186042495 /nfs/dbraw/zinc/04/24/95/186042495.db2.gz HWIGWSXEBJPYHG-YIZWMMSDSA-N 0 3 278.396 2.225 10 0 CEAEHN CCN[C@H](c1cnccn1)[C@](C)(CC)N1CCCC1 ZINC000091607189 180204678 /nfs/dbraw/zinc/20/46/78/180204678.db2.gz SXCKZMOIHAGAKF-CABCVRRESA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091611923 180206344 /nfs/dbraw/zinc/20/63/44/180206344.db2.gz AHMLPUMDAANFFD-GJZGRUSLSA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccccc1C)N1CCOCC1 ZINC000091611581 180206555 /nfs/dbraw/zinc/20/65/55/180206555.db2.gz GLCCFDJARMQWNG-CVEARBPZSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@](C)([C@@H](NC)c1ccco1)N1CCOCC1 ZINC000091612480 180207190 /nfs/dbraw/zinc/20/71/90/180207190.db2.gz YDGOODMHIXYULT-UONOGXRCSA-N 0 3 252.358 2.041 10 0 CEAEHN CCN[C@H](c1nccn1CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612978 180207389 /nfs/dbraw/zinc/20/73/89/180207389.db2.gz CADGIYSTFQBFMH-GDBMZVCRSA-N 0 3 294.443 2.055 10 0 CEAEHN Cc1cc(F)cc([N-]S(=O)(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000091516509 180177690 /nfs/dbraw/zinc/17/76/90/180177690.db2.gz UEUHZQDKIFTHTM-LBPRGKRZSA-N 0 3 286.372 2.018 10 0 CEAEHN CCc1nn(C)cc1-c1ccc(OC)c(CNC)c1 ZINC000091544437 180185587 /nfs/dbraw/zinc/18/55/87/180185587.db2.gz VZJKSNBZQYYLQS-UHFFFAOYSA-N 0 3 259.353 2.378 10 0 CEAEHN CCN(CC)C1([C@H](NC)c2nccn2C)CCCC1 ZINC000091639487 180212144 /nfs/dbraw/zinc/21/21/44/180212144.db2.gz YCBWUVYPOWCCMM-CYBMUJFWSA-N 0 3 264.417 2.335 10 0 CEAEHN CCN[C@@H](c1cnccn1)C1(N(C)C)CCCCC1 ZINC000091647762 180215527 /nfs/dbraw/zinc/21/55/27/180215527.db2.gz OEGWFFRYSULZIO-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN C[C@H]1CCC[C@@](C(=O)C2CCOCC2)(N(C)C)C1 ZINC000091650032 180216610 /nfs/dbraw/zinc/21/66/10/180216610.db2.gz AODVVRUCJNODJF-SWLSCSKDSA-N 0 3 253.386 2.493 10 0 CEAEHN Fc1cnc(Cl)nc1N1CC[C@H](N2CCCCC2)C1 ZINC000091655681 180217738 /nfs/dbraw/zinc/21/77/38/180217738.db2.gz TVLXRPJXXATPLH-JTQLQIEISA-N 0 3 284.766 2.334 10 0 CEAEHN O=C(CCN[C@H]1CCCc2cccnc21)N1CCCC1 ZINC000091660326 180218344 /nfs/dbraw/zinc/21/83/44/180218344.db2.gz GBGDQHPABUYZMZ-AWEZNQCLSA-N 0 3 273.380 2.061 10 0 CEAEHN CCN[C@H](c1cccc2cnccc21)[C@H]1CN(C)CCO1 ZINC000091718733 180233575 /nfs/dbraw/zinc/23/35/75/180233575.db2.gz XQKOMPNYPXGISA-IAGOWNOFSA-N 0 3 285.391 2.216 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1C)[C@H]1CN(C)CCO1 ZINC000091718697 180233741 /nfs/dbraw/zinc/23/37/41/180233741.db2.gz ZWIAPBSGOQYRTD-HZPDHXFCSA-N 0 3 262.397 2.285 10 0 CEAEHN C[C@@H](N)c1cccn1CC(=O)Nc1cccc(F)c1 ZINC000091800300 180259345 /nfs/dbraw/zinc/25/93/45/180259345.db2.gz BFDAKPHWUWSALO-SNVBAGLBSA-N 0 3 261.300 2.286 10 0 CEAEHN CCc1cc(CN(C)C2CCC3(CC2)OCCO3)n(C)n1 ZINC000091853525 180273326 /nfs/dbraw/zinc/27/33/26/180273326.db2.gz XNHTWVHNLIPILU-UHFFFAOYSA-N 0 3 293.411 2.100 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OC[C@H]1CN(C)CCO1 ZINC000092054644 180313900 /nfs/dbraw/zinc/31/39/00/180313900.db2.gz FKDCSYPGOBHAMU-HUUCEWRRSA-N 0 3 292.423 2.375 10 0 CEAEHN C[C@@H]1CCCN(C(=O)NCc2ccccc2CN)C1 ZINC000091990853 180300043 /nfs/dbraw/zinc/30/00/43/180300043.db2.gz CPPGBLFNNWXCPU-GFCCVEGCSA-N 0 3 261.369 2.087 10 0 CEAEHN Cc1ccc(OCC(=O)OC(C)C)c(CNCC(C)C)n1 ZINC000091996458 180302466 /nfs/dbraw/zinc/30/24/66/180302466.db2.gz PXRJVINLRFBSPM-UHFFFAOYSA-N 0 3 294.395 2.466 10 0 CEAEHN CCCNc1snnc1CN1CC[C@H]2CC[C@@H](C1)N2C ZINC000092002774 180304885 /nfs/dbraw/zinc/30/48/85/180304885.db2.gz ITHHFBJMYVZEGG-NEPJUHHUSA-N 0 3 295.456 2.029 10 0 CEAEHN CCC[N-]S(=O)(=O)c1ccc(C[NH2+]CCC)cc1F ZINC000092115771 180327268 /nfs/dbraw/zinc/32/72/68/180327268.db2.gz OKZVOJOEOGLGEZ-UHFFFAOYSA-N 0 3 288.388 2.014 10 0 CEAEHN COC(=O)c1ccc(Cl)c(NC(=O)CNC(C)(C)C)c1 ZINC000105785435 186071340 /nfs/dbraw/zinc/07/13/40/186071340.db2.gz JTYDKAPMRNQUTH-UHFFFAOYSA-N 0 3 298.770 2.453 10 0 CEAEHN CN(c1cccnn1)C1CCN(CCOC(C)(C)C)CC1 ZINC000105807367 186072726 /nfs/dbraw/zinc/07/27/26/186072726.db2.gz PVFQIXIKVDHCLB-UHFFFAOYSA-N 0 3 292.427 2.192 10 0 CEAEHN CC(C)CNCc1ccc(N2C[C@H](C)[C@H](C)C2)nn1 ZINC000092088934 180321572 /nfs/dbraw/zinc/32/15/72/180321572.db2.gz ROIKLEWSAWZXHX-BETUJISGSA-N 0 3 262.401 2.314 10 0 CEAEHN CN[C@H](C)c1cccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092091234 180322492 /nfs/dbraw/zinc/32/24/92/180322492.db2.gz CRRCNUQTJSAJCD-RWMBFGLXSA-N 0 3 296.436 2.244 10 0 CEAEHN CCc1ccc([C@@H](CN2C(=O)[C@H](C)[C@H](C)C2=O)NC)cc1 ZINC000092094121 180322706 /nfs/dbraw/zinc/32/27/06/180322706.db2.gz JNILZPDNTOOZPZ-TYNCELHUSA-N 0 3 288.391 2.151 10 0 CEAEHN Cn1cc(CNC[C@@H]2Cc3ccccc3S2)cn1 ZINC000092243032 180351372 /nfs/dbraw/zinc/35/13/72/180351372.db2.gz GAGGTRNICVAYIZ-ZDUSSCGKSA-N 0 3 259.378 2.227 10 0 CEAEHN CC(=O)[C@H]1CCCN(C[C@@H]2COc3ccccc32)C1 ZINC000092301865 180359227 /nfs/dbraw/zinc/35/92/27/180359227.db2.gz IFJOOZWJGVPPFF-UONOGXRCSA-N 0 3 259.349 2.464 10 0 CEAEHN CCCN[C@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1 ZINC000105832467 186076144 /nfs/dbraw/zinc/07/61/44/186076144.db2.gz WEBWZYLDBHVBAT-DZGCQCFKSA-N 0 3 288.391 2.431 10 0 CEAEHN Cc1cnn([C@H]2CCCN(CCc3ccccn3)C2)c1 ZINC000105923477 186090851 /nfs/dbraw/zinc/09/08/51/186090851.db2.gz VATJGVMWLXYYNM-INIZCTEOSA-N 0 3 270.380 2.466 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(F)c2)CCN1CCOC ZINC000106115628 186102417 /nfs/dbraw/zinc/10/24/17/186102417.db2.gz MIFJYCGDZVZSLT-MRXNPFEDSA-N 0 3 280.387 2.368 10 0 CEAEHN CNc1cccc(CN2CCN(C(C)(C)C)CC2)n1 ZINC000092369765 180369950 /nfs/dbraw/zinc/36/99/50/180369950.db2.gz BAGVBOWIDNSJPK-UHFFFAOYSA-N 0 3 262.401 2.039 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CCC(=O)NC(C)C ZINC000105895758 186085904 /nfs/dbraw/zinc/08/59/04/186085904.db2.gz HSZPARRCLGZFFD-CQSZACIVSA-N 0 3 292.427 2.089 10 0 CEAEHN COc1ccc([C@@H]2CN[C@H](C(C)C)CO2)cc1OC ZINC000092403135 180378427 /nfs/dbraw/zinc/37/84/27/180378427.db2.gz QOQVJEFJJQYRLL-WFASDCNBSA-N 0 3 265.353 2.389 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](OC[C@@H]1CCCO1)CC2 ZINC000092386470 180374104 /nfs/dbraw/zinc/37/41/04/180374104.db2.gz VNVQRMIVJRNHLX-BPUTZDHNSA-N 0 3 277.364 2.205 10 0 CEAEHN CC[C@@H](C)CN[C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000107863012 186195613 /nfs/dbraw/zinc/19/56/13/186195613.db2.gz CWROIKQKSPWXSQ-DGCLKSJQSA-N 0 3 266.385 2.082 10 0 CEAEHN Cc1ccc([C@@H](C)NCC(C)(C)NS(C)(=O)=O)cc1C ZINC000109041141 186240897 /nfs/dbraw/zinc/24/08/97/186240897.db2.gz NVHMSQVLSOFSEB-CYBMUJFWSA-N 0 3 298.452 2.282 10 0 CEAEHN CCc1ccc(-c2noc(C[C@H](COC)NC)n2)cc1 ZINC000109505958 186257298 /nfs/dbraw/zinc/25/72/98/186257298.db2.gz JXRJGRUMGRZBDA-CYBMUJFWSA-N 0 3 275.352 2.076 10 0 CEAEHN COC[C@@H](N)Cc1nc(-c2ccc3ccccc3c2)no1 ZINC000109509754 186258704 /nfs/dbraw/zinc/25/87/04/186258704.db2.gz HKQQAPHQBRZEGG-AWEZNQCLSA-N 0 3 283.331 2.406 10 0 CEAEHN COc1cccc(Cc2nc(NN)cc(C3CC3)n2)c1 ZINC000109527401 186259842 /nfs/dbraw/zinc/25/98/42/186259842.db2.gz WXUYKYYEQZCOFG-UHFFFAOYSA-N 0 3 270.336 2.239 10 0 CEAEHN COc1ccc(-c2nc(NN)cc(C3CC3)n2)cc1O ZINC000109528187 186259944 /nfs/dbraw/zinc/25/99/44/186259944.db2.gz IMYPSSXQDBOFTB-UHFFFAOYSA-N 0 3 272.308 2.021 10 0 CEAEHN CN(c1cc(CO)nc2ccccc21)C1CCN(C)CC1 ZINC000109594138 186264668 /nfs/dbraw/zinc/26/46/68/186264668.db2.gz MPDVNCVMDPEFHI-UHFFFAOYSA-N 0 3 285.391 2.258 10 0 CEAEHN NCc1cc(OC[C@@H]2CCCO2)c2ccccc2n1 ZINC000109590212 186264830 /nfs/dbraw/zinc/26/48/30/186264830.db2.gz OTPBIIQORDGNTP-LBPRGKRZSA-N 0 3 258.321 2.251 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=S)NCc1ccc(F)cc1 ZINC000109671152 186268583 /nfs/dbraw/zinc/26/85/83/186268583.db2.gz CXQQPHLLWMUFRY-CQSZACIVSA-N 0 3 295.427 2.226 10 0 CEAEHN CCC[C@@H](C)CN1CCN([C@@H](CC)C(N)=S)CC1 ZINC000109469405 186254073 /nfs/dbraw/zinc/25/40/73/186254073.db2.gz OYJBZVTVBBHLDI-OLZOCXBDSA-N 0 3 271.474 2.105 10 0 CEAEHN Cc1ccc(CN2CCN([C@H](C)C(N)=S)CC2)cc1C ZINC000109468168 186254383 /nfs/dbraw/zinc/25/43/83/186254383.db2.gz KZZFGIGJNBOYAO-CQSZACIVSA-N 0 3 291.464 2.096 10 0 CEAEHN CN(C)[C@H]1CCN(c2nc(C(C)(C)C)c(CO)s2)C1 ZINC000110276173 186289389 /nfs/dbraw/zinc/28/93/89/186289389.db2.gz ZAAANTNXMIHELV-JTQLQIEISA-N 0 3 283.441 2.073 10 0 CEAEHN CN[C@H](CO[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000110526858 186301395 /nfs/dbraw/zinc/30/13/95/186301395.db2.gz RSTGZZMMPGNFHL-QWHCGFSZSA-N 0 3 261.321 2.499 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2C1CCOCC1 ZINC000110629646 186308044 /nfs/dbraw/zinc/30/80/44/186308044.db2.gz CCAHNUAXAVCDRY-UHFFFAOYSA-N 0 3 265.288 2.118 10 0 CEAEHN CCN(C)[C@@H](CN)c1ccc(OC)c(OC)c1Cl ZINC000110827685 186327490 /nfs/dbraw/zinc/32/74/90/186327490.db2.gz DGNWUYZOGHHUGZ-JTQLQIEISA-N 0 3 272.776 2.309 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1O[C@@H]1CCCCNC1=O ZINC000110959956 186336305 /nfs/dbraw/zinc/33/63/05/186336305.db2.gz REKVFULCJJBSNV-GXTWGEPZSA-N 0 3 276.380 2.323 10 0 CEAEHN CN1CCN(c2nc3ccc(N)cc3s2)CC1(C)C ZINC000110711328 186316230 /nfs/dbraw/zinc/31/62/30/186316230.db2.gz OPYMWBJTQKVSHX-UHFFFAOYSA-N 0 3 276.409 2.409 10 0 CEAEHN CC[C@@H]1CN(Cc2cc([C@@H](C)O)ccc2OC)CCN1C ZINC000110736009 186317661 /nfs/dbraw/zinc/31/76/61/186317661.db2.gz PZOBGGCVDCFLNM-CZUORRHYSA-N 0 3 292.423 2.275 10 0 CEAEHN COc1ccc(C)cc1[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000110736488 186319319 /nfs/dbraw/zinc/31/93/19/186319319.db2.gz YTKJSZVCPUFNOP-OAHLLOKOSA-N 0 3 292.423 2.063 10 0 CEAEHN CC[C@@H]1CN(CCNc2ccc(C)cc2)CCN1C ZINC000110757613 186320653 /nfs/dbraw/zinc/32/06/53/186320653.db2.gz YVSIRUVBYFSGLT-MRXNPFEDSA-N 0 3 261.413 2.433 10 0 CEAEHN Cc1nc(N2CCN(C)C(C)(C)C2)sc1[C@@H](C)N ZINC000110758819 186321338 /nfs/dbraw/zinc/32/13/38/186321338.db2.gz CXMMGXZROGRFHK-SECBINFHSA-N 0 3 268.430 2.002 10 0 CEAEHN CCNCc1cc(CN2CCN(C)[C@@H](CC)C2)oc1C ZINC000110754034 186322024 /nfs/dbraw/zinc/32/20/24/186322024.db2.gz FNJCJZRZXNJCNH-HNNXBMFYSA-N 0 3 279.428 2.224 10 0 CEAEHN CCN1CCN(CCNc2cccc(F)c2)C[C@@H]1C ZINC000110756823 186322047 /nfs/dbraw/zinc/32/20/47/186322047.db2.gz VWTPILQSKBXQID-ZDUSSCGKSA-N 0 3 265.376 2.264 10 0 CEAEHN CC1(C)COCCN1[C@@H](CN)c1cccc(F)c1F ZINC000111039503 186346463 /nfs/dbraw/zinc/34/64/63/186346463.db2.gz UWASZEKQOOIDLV-LBPRGKRZSA-N 0 3 270.323 2.075 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(F)cc2C(N)=S)CC1 ZINC000111032609 186346828 /nfs/dbraw/zinc/34/68/28/186346828.db2.gz GDVCJGHUYOVKPE-NSHDSACASA-N 0 3 295.427 2.380 10 0 CEAEHN CCCOCCOC[C@@H](NC)c1ccc2c(c1)OCO2 ZINC000111108588 186353504 /nfs/dbraw/zinc/35/35/04/186353504.db2.gz DECBTKRKQCJFLD-CYBMUJFWSA-N 0 3 281.352 2.119 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1ccccc1F ZINC000111116662 186353812 /nfs/dbraw/zinc/35/38/12/186353812.db2.gz QIDLWUIBIOFHOP-AWEZNQCLSA-N 0 3 254.349 2.184 10 0 CEAEHN CCOCCN(CC)C[C@H]1CNc2ccccc2O1 ZINC000111125452 186354558 /nfs/dbraw/zinc/35/45/58/186354558.db2.gz HJHLIVDSPRXZTQ-CYBMUJFWSA-N 0 3 264.369 2.218 10 0 CEAEHN CCOCCN(CC)[C@H]1COc2ccccc2[C@@H]1NC ZINC000111118927 186355027 /nfs/dbraw/zinc/35/50/27/186355027.db2.gz VRHMOGSHJPNJMU-HOCLYGCPSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOCCN(CC)c1ncc(CN)cc1Cl ZINC000111123577 186355288 /nfs/dbraw/zinc/35/52/88/186355288.db2.gz XITMJXZDNYQBQC-UHFFFAOYSA-N 0 3 257.765 2.057 10 0 CEAEHN CCOCCN(CC)C[C@H](NC)c1ccc2c(c1)OCO2 ZINC000111119140 186355684 /nfs/dbraw/zinc/35/56/84/186355684.db2.gz TWILBNGMKUIETJ-AWEZNQCLSA-N 0 3 294.395 2.034 10 0 CEAEHN CNCc1cnc(N(C)C[C@@H]2CCCOC2)c(Cl)c1 ZINC000111173772 186365376 /nfs/dbraw/zinc/36/53/76/186365376.db2.gz BVMDPBKUKFOVRC-NSHDSACASA-N 0 3 283.803 2.317 10 0 CEAEHN N[C@H](c1ccc2c(c1)COC2)c1ccc2[nH]c(=O)oc2c1 ZINC000111305681 186394116 /nfs/dbraw/zinc/39/41/16/186394116.db2.gz IQGCOEZUPXXTPC-OAHLLOKOSA-N 0 3 282.299 2.199 10 0 CEAEHN Cc1ccc(NC(=O)c2ccc(CN)cn2)c(C)c1 ZINC000111281083 186388798 /nfs/dbraw/zinc/38/87/98/186388798.db2.gz BOKRBEBIFTZUFL-UHFFFAOYSA-N 0 3 255.321 2.409 10 0 CEAEHN CCN1CCC[C@@H](Nc2ncnc(Cl)c2C)C1 ZINC000111297553 186392250 /nfs/dbraw/zinc/39/22/50/186392250.db2.gz ISYFQDHLCKDUMV-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN Cc1ccc([O-])c(C(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000111369226 186407248 /nfs/dbraw/zinc/40/72/48/186407248.db2.gz LFVRJHRQDFPTEG-UHFFFAOYSA-N 0 3 262.353 2.092 10 0 CEAEHN O[C@@H]1COCC[C@@H]1NCc1ccsc1C(F)(F)F ZINC000628468775 351108798 /nfs/dbraw/zinc/10/87/98/351108798.db2.gz YWPVQHXVHXBYLF-DTWKUNHWSA-N 0 3 281.299 2.006 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2ccc(Br)cn2)C1 ZINC000069938655 363014999 /nfs/dbraw/zinc/01/49/99/363014999.db2.gz PNARKODXGCRHSG-CMPLNLGQSA-N 0 3 285.185 2.237 10 0 CEAEHN CCCn1nc(C)c(-c2ncc(CN)s2)c1C ZINC000629736783 351492263 /nfs/dbraw/zinc/49/22/63/351492263.db2.gz WFGHOBUTIFQRQD-UHFFFAOYSA-N 0 3 250.371 2.492 10 0 CEAEHN CC(C)c1nccnc1NCCN1CCC(C)CC1 ZINC000472344004 290295142 /nfs/dbraw/zinc/29/51/42/290295142.db2.gz FODVERVPCVKFKB-UHFFFAOYSA-N 0 3 262.401 2.166 10 0 CEAEHN CCN1CCC[C@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000070264377 363063894 /nfs/dbraw/zinc/06/38/94/363063894.db2.gz KJQDCUPVKGCLHD-VIFPVBQESA-N 0 3 274.290 2.392 10 0 CEAEHN CCn1cccc1CNCCC(=O)N1CCCCC1 ZINC000123774317 187108586 /nfs/dbraw/zinc/10/85/86/187108586.db2.gz KXPKBYQHHNNUAQ-UHFFFAOYSA-N 0 3 263.385 2.000 10 0 CEAEHN CCc1cc(N(C)C[C@H](O)COC)c2ccccc2n1 ZINC000123978580 187116701 /nfs/dbraw/zinc/11/67/01/187116701.db2.gz NOKDUQPLUWMLIC-ZDUSSCGKSA-N 0 3 274.364 2.241 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2ccncc2Br)C1 ZINC000631050167 351938791 /nfs/dbraw/zinc/93/87/91/351938791.db2.gz QRIPMAHIHXPXME-MNOVXSKESA-N 0 3 285.185 2.237 10 0 CEAEHN O=C(NCc1ccsc1)c1ccc2c(c1)CNC2 ZINC000131157512 187545980 /nfs/dbraw/zinc/54/59/80/187545980.db2.gz XURSFVDOQIRPSY-UHFFFAOYSA-N 0 3 258.346 2.281 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2sc(C)nc2C)C1 ZINC000252638151 539883897 /nfs/dbraw/zinc/88/38/97/539883897.db2.gz IMDVGGKVFLWMBM-MFKMUULPSA-N 0 3 283.441 2.131 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000155671821 188220395 /nfs/dbraw/zinc/22/03/95/188220395.db2.gz XSFLCQPBCQGGHZ-CMPLNLGQSA-N 0 3 250.342 2.047 10 0 CEAEHN Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c(C)o1 ZINC000155668110 188220720 /nfs/dbraw/zinc/22/07/20/188220720.db2.gz KVVCKPLKNJYMMM-HZMBPMFUSA-N 0 3 264.369 2.355 10 0 CEAEHN Cc1cccc2c(CC(=O)N3CC[C@@H](N(C)C)C3)c[nH]c21 ZINC000132778292 366170799 /nfs/dbraw/zinc/17/07/99/366170799.db2.gz XWODJMCQGREXFE-CQSZACIVSA-N 0 3 285.391 2.181 10 0 CEAEHN CC1(C)CN(c2ccc(Br)cn2)CCN1 ZINC000133195260 366204452 /nfs/dbraw/zinc/20/44/52/366204452.db2.gz BSIZAGOKFKBYRN-UHFFFAOYSA-N 0 3 270.174 2.032 10 0 CEAEHN CC[C@@H]1COC(C)(C)CN1C[C@@H]1CCC[C@H](O)C1 ZINC000403965887 540118682 /nfs/dbraw/zinc/11/86/82/540118682.db2.gz OKAUKGXEXYUGJS-MCIONIFRSA-N 0 3 255.402 2.427 10 0 CEAEHN CCN[S@](=O)(=NC1CCC1)c1ccc(N)cc1 ZINC000675074803 540116290 /nfs/dbraw/zinc/11/62/90/540116290.db2.gz IHMLVNBJQGNXIX-KRWDZBQOSA-N 0 3 253.371 2.173 10 0 CEAEHN CC[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCS1 ZINC000076072657 363517446 /nfs/dbraw/zinc/51/74/46/363517446.db2.gz IEPZOKOYBGRBSV-JKSUJKDBSA-N 0 3 295.448 2.392 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000076074379 363518080 /nfs/dbraw/zinc/51/80/80/363518080.db2.gz OMLQQEDXFNKJLQ-OLZOCXBDSA-N 0 3 297.468 2.056 10 0 CEAEHN O[C@H]1CCC[C@@H](CN2CCOCC23CCCC3)C1 ZINC000388534047 540327955 /nfs/dbraw/zinc/32/79/55/540327955.db2.gz MLJDURPLNOXZCU-KGLIPLIRSA-N 0 3 253.386 2.183 10 0 CEAEHN CCN1CC[C@@H](NCc2c(C)nc3sc(C)cn23)C1 ZINC000389533469 540358621 /nfs/dbraw/zinc/35/86/21/540358621.db2.gz ITWNZZZNDSMFOT-GFCCVEGCSA-N 0 3 278.425 2.196 10 0 CEAEHN OCC[C@H]1CCC[C@@H]1NCc1nc2cccnc2s1 ZINC000329211032 202235488 /nfs/dbraw/zinc/23/54/88/202235488.db2.gz YZXVIFVALJEABD-MNOVXSKESA-N 0 3 277.393 2.332 10 0 CEAEHN CCNC(=O)CCN[C@H](C)c1ccccc1OCC ZINC000135715511 366470062 /nfs/dbraw/zinc/47/00/62/366470062.db2.gz FXYIRGKSHKMMOK-GFCCVEGCSA-N 0 3 264.369 2.262 10 0 CEAEHN COc1cccc(CN[C@@H]2CCCCC[C@@H]2O)c1OC ZINC000135658355 366465747 /nfs/dbraw/zinc/46/57/47/366465747.db2.gz QWCJEYGGTBJZSL-KGLIPLIRSA-N 0 3 279.380 2.487 10 0 CEAEHN Cc1cncc(C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000079757580 363626421 /nfs/dbraw/zinc/62/64/21/363626421.db2.gz BYLISUJKFHFBNH-CQSZACIVSA-N 0 3 263.385 2.096 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2cccs2)C1 ZINC000160727611 540638068 /nfs/dbraw/zinc/63/80/68/540638068.db2.gz JOKMTHCMDALDPN-VXGBXAGGSA-N 0 3 254.399 2.119 10 0 CEAEHN CNCc1cnc(C(Cl)(Cl)Cl)nc1C ZINC000685959931 540658770 /nfs/dbraw/zinc/65/87/70/540658770.db2.gz VQPUWENJIYZHDE-UHFFFAOYSA-N 0 3 254.548 2.331 10 0 CEAEHN CCn1ccnc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000339051149 366631786 /nfs/dbraw/zinc/63/17/86/366631786.db2.gz FPCGQFKXJLWORG-YUELXQCFSA-N 0 3 275.396 2.340 10 0 CEAEHN CN(C)C[C@H](NC(=O)CC[C@H]1CCOC1)c1ccccc1 ZINC000176584762 189000528 /nfs/dbraw/zinc/00/05/28/189000528.db2.gz AHWJFVIAXUNFAH-HOCLYGCPSA-N 0 3 290.407 2.222 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC000176977574 189018031 /nfs/dbraw/zinc/01/80/31/189018031.db2.gz JVHUPTHIZOIHEZ-NSHDSACASA-N 0 3 269.776 2.224 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)COc1ccccc1F ZINC000177026982 189022026 /nfs/dbraw/zinc/02/20/26/189022026.db2.gz FVCZMKNJADKHNY-CYBMUJFWSA-N 0 3 294.370 2.147 10 0 CEAEHN CCc1nc(CC(=O)N(C)C[C@@H]2CCCN2CC)cs1 ZINC000177042332 189023358 /nfs/dbraw/zinc/02/33/58/189023358.db2.gz FNVDOLQTKXHVJB-ZDUSSCGKSA-N 0 3 295.452 2.191 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)COCc2ccccc2)[C@@H](C)C1 ZINC000177062174 189025565 /nfs/dbraw/zinc/02/55/65/189025565.db2.gz VCDMFJBAOGZXMZ-HOCLYGCPSA-N 0 3 290.407 2.048 10 0 CEAEHN c1ccc(-c2nc(CN3CCN4CCCC[C@@H]4C3)no2)cc1 ZINC000177754949 189067531 /nfs/dbraw/zinc/06/75/31/189067531.db2.gz YHSHRXTXYJJZKK-OAHLLOKOSA-N 0 3 298.390 2.407 10 0 CEAEHN Cc1[nH]c2ccccc2c1C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000178622140 189132158 /nfs/dbraw/zinc/13/21/58/189132158.db2.gz KRJWCNFLYBQAEY-CQSZACIVSA-N 0 3 297.402 2.439 10 0 CEAEHN COc1ccc(F)cc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000179365462 189188708 /nfs/dbraw/zinc/18/87/08/189188708.db2.gz MKOPKBINNHZHLQ-LBPRGKRZSA-N 0 3 293.342 2.146 10 0 CEAEHN Cc1nscc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000179679133 189212832 /nfs/dbraw/zinc/21/28/32/189212832.db2.gz VTCBPJXLIGXTNC-LLVKDONJSA-N 0 3 269.414 2.158 10 0 CEAEHN Cc1cccnc1CN1CCC(Cn2cccn2)CC1 ZINC000180480522 189257817 /nfs/dbraw/zinc/25/78/17/189257817.db2.gz BGNLJDVNMOZBDH-UHFFFAOYSA-N 0 3 270.380 2.499 10 0 CEAEHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC[C@@H]1CN(C)CCO1 ZINC000180488389 189257988 /nfs/dbraw/zinc/25/79/88/189257988.db2.gz SNDMPEBMERZYJC-PBFPGSCMSA-N 0 3 292.398 2.369 10 0 CEAEHN Cc1cc(CCN2CCN(c3cccc(C)c3)CC2)n[nH]1 ZINC000000002195 361116233 /nfs/dbraw/zinc/11/62/33/361116233.db2.gz IYBFBADVQPQHLQ-UHFFFAOYSA-N 0 3 284.407 2.391 10 0 in-man CEAEHN Cc1cc(CCN2CCN(c3cccc(C)c3)CC2)[nH]n1 ZINC000000002195 361116236 /nfs/dbraw/zinc/11/62/36/361116236.db2.gz IYBFBADVQPQHLQ-UHFFFAOYSA-N 0 3 284.407 2.391 10 0 in-man CEAEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc2ccccc2n1 ZINC000180490521 189258568 /nfs/dbraw/zinc/25/85/68/189258568.db2.gz PGVNADQWMNPOGX-HIFRSBDPSA-N 0 3 285.391 2.216 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000082287936 363759633 /nfs/dbraw/zinc/75/96/33/363759633.db2.gz CZTRBKNZNQYVSC-CQSZACIVSA-N 0 3 276.355 2.020 10 0 CEAEHN COc1cc(Oc2nc(C)cc(C)n2)ccc1CN ZINC000011849430 361366198 /nfs/dbraw/zinc/36/61/98/361366198.db2.gz KZMKAKGYJQYLDA-UHFFFAOYSA-N 0 3 259.309 2.353 10 0 CEAEHN CN[C@@H]1c2ccccc2N(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000212741691 283665203 /nfs/dbraw/zinc/66/52/03/283665203.db2.gz XMFDTGLPASMKMA-QWHCGFSZSA-N 0 3 278.352 2.063 10 0 CEAEHN Cc1cccc2c(N3C[C@@H]4[C@H](C3)OCCN4C)ccnc12 ZINC000301715305 201156082 /nfs/dbraw/zinc/15/60/82/201156082.db2.gz MPEQNAIMFDYMNF-CVEARBPZSA-N 0 3 283.375 2.062 10 0 CEAEHN COCc1nsc(NC[C@H]2CCCN2CC(C)C)n1 ZINC000301760853 201181558 /nfs/dbraw/zinc/18/15/58/201181558.db2.gz CMBKAQILGGUBLA-LLVKDONJSA-N 0 3 284.429 2.217 10 0 CEAEHN CCOC(=O)c1cccnc1N(C)C[C@H]1CCCN1CC ZINC000184129309 189377082 /nfs/dbraw/zinc/37/70/82/189377082.db2.gz LGBCMVYOKMNSPM-CYBMUJFWSA-N 0 3 291.395 2.179 10 0 CEAEHN Cc1nsc(NC[C@@H]2CCCN2CC(C)C)n1 ZINC000301843224 201228578 /nfs/dbraw/zinc/22/85/78/201228578.db2.gz KNSKUZJRIAMCMI-NSHDSACASA-N 0 3 254.403 2.379 10 0 CEAEHN C[C@@H]1SCCN(C[C@H](O)COCc2ccccc2)[C@H]1C ZINC000084963737 363827631 /nfs/dbraw/zinc/82/76/31/363827631.db2.gz VTROOSJAPURTND-DZKIICNBSA-N 0 3 295.448 2.390 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1scnc1C1CC1 ZINC000089827352 364007606 /nfs/dbraw/zinc/00/76/06/364007606.db2.gz JXNZFTJRGZFAQZ-ZYHUDNBSSA-N 0 3 291.420 2.329 10 0 CEAEHN O=C([O-])[C@@H]1CCC[N@@H+]1C1CCN(C2CCCCC2)CC1 ZINC000038042611 304113775 /nfs/dbraw/zinc/11/37/75/304113775.db2.gz QNHBYPIOTDGXCJ-HNNXBMFYSA-N 0 3 280.412 2.333 10 0 CEAEHN O=C([O-])[C@@H]1CCC[N@H+]1C1CCN(C2CCCCC2)CC1 ZINC000038042611 304113777 /nfs/dbraw/zinc/11/37/77/304113777.db2.gz QNHBYPIOTDGXCJ-HNNXBMFYSA-N 0 3 280.412 2.333 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)c1c(F)c(F)nc(F)c1F ZINC000094628430 364284218 /nfs/dbraw/zinc/28/42/18/364284218.db2.gz MDYPFVYKBVSEON-SSDOTTSWSA-N 0 3 277.265 2.026 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H]2CCCNC2=O)cc1F ZINC000094837848 364303203 /nfs/dbraw/zinc/30/32/03/364303203.db2.gz RBQQISAEHXMJGA-GWCFXTLKSA-N 0 3 250.317 2.063 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@@H]1CCCO1 ZINC000105895494 364702979 /nfs/dbraw/zinc/70/29/79/364702979.db2.gz HTVRHGUCCPCCHR-KBPBESRZSA-N 0 3 263.385 2.353 10 0 CEAEHN CCN1CCC[C@H](Nc2cc(N3CCCCC3)ncn2)C1 ZINC000112075888 364772343 /nfs/dbraw/zinc/77/23/43/364772343.db2.gz WAXKPEZZMGNLPC-AWEZNQCLSA-N 0 3 289.427 2.363 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCC2 ZINC000113223867 364875965 /nfs/dbraw/zinc/87/59/65/364875965.db2.gz CSDYJENRQAEZBY-CXAGYDPISA-N 0 3 284.403 2.484 10 0 CEAEHN CSc1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)ccn1 ZINC000113222360 364876568 /nfs/dbraw/zinc/87/65/68/364876568.db2.gz LGGHUOGJHMNBHY-WCQYABFASA-N 0 3 291.420 2.112 10 0 CEAEHN CCCCCCOCC(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000113227557 364877381 /nfs/dbraw/zinc/87/73/81/364877381.db2.gz RLHNVSKFHKWFAC-GJZGRUSLSA-N 0 3 282.428 2.278 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cccc(Cl)c2)C1 ZINC000113266788 364881110 /nfs/dbraw/zinc/88/11/10/364881110.db2.gz LQZYXTBBYASNCA-AWEZNQCLSA-N 0 3 268.788 2.150 10 0 CEAEHN C[C@@H]1C[C@@H]1NCc1ccccc1OCC(=O)NCC1CC1 ZINC000116338851 365051915 /nfs/dbraw/zinc/05/19/15/365051915.db2.gz RBMSAKYJZPGLAA-DOMZBBRYSA-N 0 3 288.391 2.090 10 0 CEAEHN CCc1sc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1C ZINC000116796199 365069572 /nfs/dbraw/zinc/06/95/72/365069572.db2.gz RKGHBGGACKOOLM-LBPRGKRZSA-N 0 3 296.436 2.022 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1cncc(F)c1 ZINC000335867482 365091970 /nfs/dbraw/zinc/09/19/70/365091970.db2.gz ZODANAORFPIPPC-WFASDCNBSA-N 0 3 263.360 2.279 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)cc2F)CCN1C[C@@H](C)O ZINC000120469475 365429812 /nfs/dbraw/zinc/42/98/12/365429812.db2.gz YJSOALOAWHJGKU-DOMZBBRYSA-N 0 3 298.377 2.242 10 0 CEAEHN CCOc1ccnc(N2CCN(C[C@H](C)CC)CC2)n1 ZINC000120531519 365439393 /nfs/dbraw/zinc/43/93/93/365439393.db2.gz CVQSLXVBFSIKSG-CYBMUJFWSA-N 0 3 278.400 2.043 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1coc2ccccc12 ZINC000336173451 365511389 /nfs/dbraw/zinc/51/13/89/365511389.db2.gz LKHGQTBFEVLRQT-MFKMUULPSA-N 0 3 258.321 2.190 10 0 CEAEHN CCC[C@@H](C)CS(=O)(=O)N(C)C[C@H]1CCCN1CC ZINC000245423091 370817214 /nfs/dbraw/zinc/81/72/14/370817214.db2.gz QLCUCYMSKJPASL-ZIAGYGMSSA-N 0 3 290.473 2.169 10 0 CEAEHN CCOC(=O)c1ccc(CN2CCN3CCCC[C@H]3C2)o1 ZINC000245552595 370838484 /nfs/dbraw/zinc/83/84/84/370838484.db2.gz DEQJQWFBFCTEOG-ZDUSSCGKSA-N 0 3 292.379 2.126 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1cccnc1 ZINC000245459987 370823706 /nfs/dbraw/zinc/82/37/06/370823706.db2.gz DXFLCXKNSJQLDW-HIFRSBDPSA-N 0 3 290.411 2.268 10 0 CEAEHN CC[C@@H](NC[C@H]1CN(C)CCO1)c1ccccc1F ZINC000164074972 367276401 /nfs/dbraw/zinc/27/64/01/367276401.db2.gz YWBUKSONFGKZNL-SWLSCSKDSA-N 0 3 266.360 2.197 10 0 CEAEHN C[C@H]1OCC[C@H]1NCc1cccc(Br)n1 ZINC000164240882 367281861 /nfs/dbraw/zinc/28/18/61/367281861.db2.gz QUUHWHHXIZZJBG-PSASIEDQSA-N 0 3 271.158 2.111 10 0 CEAEHN C[C@H](Cc1cccs1)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170830080 367427496 /nfs/dbraw/zinc/42/74/96/367427496.db2.gz DXQZLKGBZFXJBO-NEPJUHHUSA-N 0 3 281.425 2.025 10 0 CEAEHN Cc1ccc(F)cc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171069782 367471855 /nfs/dbraw/zinc/47/18/55/367471855.db2.gz GXYIFWARGNFSKU-GFCCVEGCSA-N 0 3 265.332 2.302 10 0 CEAEHN CCOc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000171080158 367472398 /nfs/dbraw/zinc/47/23/98/367472398.db2.gz NRTYKCCJGBOZST-GFCCVEGCSA-N 0 3 295.358 2.392 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000171077199 367473764 /nfs/dbraw/zinc/47/37/64/367473764.db2.gz GFVVYXQWVMOIDV-CYBMUJFWSA-N 0 3 299.378 2.040 10 0 CEAEHN COCc1ccccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171076800 367473780 /nfs/dbraw/zinc/47/37/80/367473780.db2.gz ZWDDMGWFASYEOL-CYBMUJFWSA-N 0 3 277.368 2.001 10 0 CEAEHN CSc1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170860281 367432682 /nfs/dbraw/zinc/43/26/82/367432682.db2.gz HKYAJGKUAYXSRF-LBPRGKRZSA-N 0 3 264.394 2.185 10 0 CEAEHN C[C@H](CC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000170862208 367433945 /nfs/dbraw/zinc/43/39/45/367433945.db2.gz ZBRLLPMAWRJHIQ-UKRRQHHQSA-N 0 3 260.381 2.343 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccccc2OCC2CC2)C1 ZINC000170863771 367434318 /nfs/dbraw/zinc/43/43/18/367434318.db2.gz KCCUZFGYGAWCDM-AWEZNQCLSA-N 0 3 288.391 2.252 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)C1 ZINC000170861244 367435009 /nfs/dbraw/zinc/43/50/09/367435009.db2.gz FFOOEIJFBSEVHB-ZNFPLGDCSA-N 0 3 295.386 2.411 10 0 CEAEHN C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1cccs1 ZINC000171747088 367608775 /nfs/dbraw/zinc/60/87/75/367608775.db2.gz HXXKVKRIXJVXFV-NWDGAFQWSA-N 0 3 281.425 2.450 10 0 CEAEHN COCc1ccccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171889343 367634194 /nfs/dbraw/zinc/63/41/94/367634194.db2.gz XDKDAMUPPPBOHK-CQSZACIVSA-N 0 3 289.379 2.145 10 0 CEAEHN O=C(Nc1cccc2[nH]ccc21)N1CCN2CCC[C@@H]2C1 ZINC000171892475 367634216 /nfs/dbraw/zinc/63/42/16/367634216.db2.gz OECZHXAPIKGUNK-GFCCVEGCSA-N 0 3 284.363 2.480 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171904641 367635419 /nfs/dbraw/zinc/63/54/19/367635419.db2.gz GWTAHVXURCCXEM-RBSFLKMASA-N 0 3 279.428 2.302 10 0 CEAEHN CCc1ccc(CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000172242903 367702861 /nfs/dbraw/zinc/70/28/61/367702861.db2.gz SDWVCSZUDHMWIV-OAHLLOKOSA-N 0 3 260.381 2.302 10 0 CEAEHN Cc1ccc(CCNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000172188438 367693358 /nfs/dbraw/zinc/69/33/58/367693358.db2.gz HHJHWPLKOGZTEN-INIZCTEOSA-N 0 3 287.407 2.027 10 0 CEAEHN C[C@H](O)CN1CCN(CC2CCC(C)CC2)C[C@H]1C ZINC000245784842 370873984 /nfs/dbraw/zinc/87/39/84/370873984.db2.gz UYCCRWXPTHQYOP-FYRZTWFESA-N 0 3 268.445 2.200 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(CCC(=O)OC(C)C)C1 ZINC000173698334 367936320 /nfs/dbraw/zinc/93/63/20/367936320.db2.gz OKUTUWKQJFUDCK-CQSZACIVSA-N 0 3 293.411 2.424 10 0 CEAEHN C[C@H](CNC(=O)N1CC[C@@H](N(C)C)C1)Cc1cccs1 ZINC000173914059 367958468 /nfs/dbraw/zinc/95/84/68/367958468.db2.gz BNYPQDUHBTWCNI-QWHCGFSZSA-N 0 3 295.452 2.272 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)c1cccnc1 ZINC000174290901 368006019 /nfs/dbraw/zinc/00/60/19/368006019.db2.gz LZRAHIILCGVBKE-UKRRQHHQSA-N 0 3 277.412 2.278 10 0 CEAEHN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1Cc1cc[nH]n1 ZINC000345108338 368155777 /nfs/dbraw/zinc/15/57/77/368155777.db2.gz SIQYEGGKHPENNU-KKUMJFAQSA-N 0 3 263.385 2.315 10 0 CEAEHN CC[C@H](O)CN1CCN(CCCc2ccccc2C)CC1 ZINC000175910430 368188607 /nfs/dbraw/zinc/18/86/07/368188607.db2.gz BEELEPJSIBLLHR-SFHVURJKSA-N 0 3 290.451 2.316 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC=CCC1 ZINC000176380368 368232606 /nfs/dbraw/zinc/23/26/06/368232606.db2.gz QVRXNZGTXLOZHB-UONOGXRCSA-N 0 3 265.401 2.221 10 0 CEAEHN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000176454939 368241531 /nfs/dbraw/zinc/24/15/31/368241531.db2.gz VMPKDQXGPWGFQS-GOEBONIOSA-N 0 3 290.407 2.315 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccnc1 ZINC000176163010 368208194 /nfs/dbraw/zinc/20/81/94/368208194.db2.gz DXFLCXKNSJQLDW-ZFWWWQNUSA-N 0 3 290.411 2.268 10 0 CEAEHN C[C@H](c1nc2ccccc2o1)N1CCO[C@H](CN(C)C)C1 ZINC000181102183 368421312 /nfs/dbraw/zinc/42/13/12/368421312.db2.gz KOBJSHBKAUKSMY-CHWSQXEVSA-N 0 3 289.379 2.151 10 0 CEAEHN C[C@H](NC[C@H](O)COC(C)(C)C)c1cccc(O)c1 ZINC000181575310 368471653 /nfs/dbraw/zinc/47/16/53/368471653.db2.gz XPSRQPWIHNPVOL-FZMZJTMJSA-N 0 3 267.369 2.219 10 0 CEAEHN CC(C)(C)c1noc(CN2CCN3CCCC[C@H]3C2)n1 ZINC000246127015 370911646 /nfs/dbraw/zinc/91/16/46/370911646.db2.gz BOUPBMZOIJHVGC-LBPRGKRZSA-N 0 3 278.400 2.037 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2ccncc2)C12CCOCC2 ZINC000185662501 368838707 /nfs/dbraw/zinc/83/87/07/368838707.db2.gz CCXWXSXECSWMLD-HUUCEWRRSA-N 0 3 276.380 2.145 10 0 CEAEHN CN(Cc1ccccc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000185844994 368871945 /nfs/dbraw/zinc/87/19/45/368871945.db2.gz PGWHXTNJMRUOLU-OAHLLOKOSA-N 0 3 273.380 2.018 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000246626017 370986308 /nfs/dbraw/zinc/98/63/08/370986308.db2.gz SJCFMKBZLVQBTP-VRKREXBASA-N 0 3 287.407 2.357 10 0 CEAEHN COCCCN(CCO)Cc1ccc2ccccc2n1 ZINC000189898457 369577767 /nfs/dbraw/zinc/57/77/67/369577767.db2.gz IZCAGTGTQYNJMK-UHFFFAOYSA-N 0 3 274.364 2.066 10 0 CEAEHN C[C@H](CNC(=O)[C@@H]1CCCO[C@@H]1C)N1CCC(C)CC1 ZINC000190406657 369621703 /nfs/dbraw/zinc/62/17/03/369621703.db2.gz YKDSZKQTUYGWLW-RBSFLKMASA-N 0 3 282.428 2.038 10 0 CEAEHN CCCCCCN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192009139 369762453 /nfs/dbraw/zinc/76/24/53/369762453.db2.gz GQTJJCDARPRQPZ-AWEZNQCLSA-N 0 3 270.417 2.438 10 0 CEAEHN CCCCCCN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192009139 369762457 /nfs/dbraw/zinc/76/24/57/369762457.db2.gz GQTJJCDARPRQPZ-AWEZNQCLSA-N 0 3 270.417 2.438 10 0 CEAEHN CCCCOC[C@@H](O)CN[C@@H](C)c1ccc(C)o1 ZINC000193241614 369909593 /nfs/dbraw/zinc/90/95/93/369909593.db2.gz GVXAVKNBJHSTPI-STQMWFEESA-N 0 3 255.358 2.416 10 0 CEAEHN COC[C@]1(C(=O)N[C@@H](C)c2cccs2)CCCCN1 ZINC000637884211 370146201 /nfs/dbraw/zinc/14/62/01/370146201.db2.gz BBTJPPNOVVQSIN-FZMZJTMJSA-N 0 3 282.409 2.084 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000637886370 370147492 /nfs/dbraw/zinc/14/74/92/370147492.db2.gz JUTUKAIWACZJQD-RKDXNWHRSA-N 0 3 256.296 2.140 10 0 CEAEHN CNc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000638117483 370314290 /nfs/dbraw/zinc/31/42/90/370314290.db2.gz UZEYCZIXTXYYPD-DOMZBBRYSA-N 0 3 273.380 2.037 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cnc(C)s1 ZINC000247026120 371048365 /nfs/dbraw/zinc/04/83/65/371048365.db2.gz TUJYZDZBUOAZPD-RYUDHWBXSA-N 0 3 279.409 2.150 10 0 CEAEHN C[C@H]1C[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000246757483 371006350 /nfs/dbraw/zinc/00/63/50/371006350.db2.gz AGFMSQULQKPGBP-CBBWQLFWSA-N 0 3 279.428 2.301 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(C(C)C)n[nH]1 ZINC000246841120 371020536 /nfs/dbraw/zinc/02/05/36/371020536.db2.gz BQFFVXTZZATDFD-STQMWFEESA-N 0 3 290.411 2.232 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Cc1noc2ccccc21 ZINC000246957284 371037741 /nfs/dbraw/zinc/03/77/41/371037741.db2.gz DHNVGNAQZMMAQT-OLZOCXBDSA-N 0 3 299.374 2.065 10 0 CEAEHN CSc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)ccn1 ZINC000247189813 371073496 /nfs/dbraw/zinc/07/34/96/371073496.db2.gz LGGHUOGJHMNBHY-AAEUAGOBSA-N 0 3 291.420 2.112 10 0 CEAEHN Cc1cccc(OCC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000247346625 371096473 /nfs/dbraw/zinc/09/64/73/371096473.db2.gz NUJCXRKUWMKFMD-ZBFHGGJFSA-N 0 3 290.407 2.219 10 0 CEAEHN COC[C@@H](C)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247475234 371113226 /nfs/dbraw/zinc/11/32/26/371113226.db2.gz JPHKUBITUQOYES-MFKMUULPSA-N 0 3 251.374 2.209 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000247485209 371114340 /nfs/dbraw/zinc/11/43/40/371114340.db2.gz WLMFCWLWFPLOKC-SMDDNHRTSA-N 0 3 286.379 2.021 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(F)c2F)CCN1C[C@H](C)O ZINC000247561418 371125665 /nfs/dbraw/zinc/12/56/65/371125665.db2.gz GAZXBZXGWWLCNK-GXTWGEPZSA-N 0 3 298.377 2.242 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1csnc1C ZINC000248402785 371187564 /nfs/dbraw/zinc/18/75/64/371187564.db2.gz NTAVVBJURUZJLX-NEPJUHHUSA-N 0 3 279.409 2.150 10 0 CEAEHN CO[C@@H](C)CN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000248428351 371193148 /nfs/dbraw/zinc/19/31/48/371193148.db2.gz PAWUQLSOVDGCIP-GWCFXTLKSA-N 0 3 251.374 2.209 10 0 CEAEHN C[C@@H](Cc1ccccc1)CN1CCO[C@@H](CN(C)C)C1 ZINC000248587669 371217603 /nfs/dbraw/zinc/21/76/03/371217603.db2.gz QKQGWDPRNOVQRK-RDJZCZTQSA-N 0 3 276.424 2.128 10 0 CEAEHN C[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)[C@H]1CCCO1 ZINC000248852417 371255589 /nfs/dbraw/zinc/25/55/89/371255589.db2.gz HJHGZQJHCIBAKB-DVOMOZLQSA-N 0 3 288.391 2.121 10 0 CEAEHN C[C@@H](CCN1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000249037051 371284920 /nfs/dbraw/zinc/28/49/20/371284920.db2.gz SWQRLIDPJOOYQO-RDJZCZTQSA-N 0 3 276.424 2.443 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCC[C@H](C)C2)C1 ZINC000249810132 371364752 /nfs/dbraw/zinc/36/47/52/371364752.db2.gz YILFHYFAUKXOFU-IHRRRGAJSA-N 0 3 267.417 2.349 10 0 CEAEHN COc1cccc([C@@H](C)C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000249827567 371365201 /nfs/dbraw/zinc/36/52/01/371365201.db2.gz LSHGKBGHSBBWMB-HIFRSBDPSA-N 0 3 288.391 2.105 10 0 CEAEHN Cc1cccc(CN2C[C@@H]3CCCCN3C[C@H]2C)n1 ZINC000252661611 371463377 /nfs/dbraw/zinc/46/33/77/371463377.db2.gz NAMMOCIQNAIJEN-ZBFHGGJFSA-N 0 3 259.397 2.449 10 0 CEAEHN Fc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2COCCN2)c(F)c1 ZINC000261882714 371761522 /nfs/dbraw/zinc/76/15/22/371761522.db2.gz FNRFMISZRVNKRK-NUEKZKHPSA-N 0 3 296.361 2.212 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000263453166 371937906 /nfs/dbraw/zinc/93/79/06/371937906.db2.gz AGPRZSMMURCZFW-BLYZHGLHSA-N 0 3 282.428 2.338 10 0 CEAEHN CSCC[C@H](N)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000262717599 371900528 /nfs/dbraw/zinc/90/05/28/371900528.db2.gz WHWADGPNALMBPB-GWCFXTLKSA-N 0 3 284.425 2.106 10 0 CEAEHN C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CNCCOC1 ZINC000643633602 373226354 /nfs/dbraw/zinc/22/63/54/373226354.db2.gz NDPDYRLCNFANQJ-YPMHNXCESA-N 0 3 296.798 2.095 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc3ncsc3c2)CCCN1 ZINC000643645757 373229656 /nfs/dbraw/zinc/22/96/56/373229656.db2.gz FGURLEVVJKYDCZ-CQSZACIVSA-N 0 3 291.376 2.003 10 0 CEAEHN CC1(C)CN[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000643987651 373326218 /nfs/dbraw/zinc/32/62/18/373326218.db2.gz BHNJENDJVNASKE-UONOGXRCSA-N 0 3 258.365 2.178 10 0 CEAEHN CCOC(=O)CCN1CCC(c2nccs2)CC1 ZINC000373993278 374463921 /nfs/dbraw/zinc/46/39/21/374463921.db2.gz QGGXUHTXXHAAIA-UHFFFAOYSA-N 0 3 268.382 2.276 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000165240266 541984144 /nfs/dbraw/zinc/98/41/44/541984144.db2.gz HXCVGKHFSIMWIW-XHDPSFHLSA-N 0 3 284.350 2.336 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(F)cc1Cl ZINC000282338690 375460187 /nfs/dbraw/zinc/46/01/87/375460187.db2.gz LZAJBTDGFOIDSF-PELKAZGASA-N 0 3 270.735 2.236 10 0 CEAEHN COc1cccc([C@H](C)N[C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282379947 375470603 /nfs/dbraw/zinc/47/06/03/375470603.db2.gz OJMIWJINZRSMSC-MJVIPROJSA-N 0 3 262.353 2.013 10 0 CEAEHN C[C@H](CNCc1ccn(C)c1)N(C)C(=O)OC(C)(C)C ZINC000282614907 375530607 /nfs/dbraw/zinc/53/06/07/375530607.db2.gz FDLLQXOAZSBUHW-GFCCVEGCSA-N 0 3 281.400 2.370 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)s1 ZINC000282469900 375492456 /nfs/dbraw/zinc/49/24/56/375492456.db2.gz UQHUKVPWNBHUDE-VXNVDRBHSA-N 0 3 258.774 2.158 10 0 CEAEHN COc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C)cc1F ZINC000282510624 375503171 /nfs/dbraw/zinc/50/31/71/375503171.db2.gz YVPNRKWKINDOHY-OUJBWJOFSA-N 0 3 280.343 2.152 10 0 CEAEHN Cc1cnn(C)c1CN[C@H](C)COCc1ccccc1 ZINC000286294180 375902647 /nfs/dbraw/zinc/90/26/47/375902647.db2.gz CEDQDTDCXZAMNT-CQSZACIVSA-N 0 3 273.380 2.423 10 0 CEAEHN C[C@@H](N)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000306321227 376545528 /nfs/dbraw/zinc/54/55/28/376545528.db2.gz BFXSFQGDCIRSFK-RXMQYKEDSA-N 0 3 277.549 2.388 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)Nc1nccc(N(C)C)n1 ZINC000302049239 379318867 /nfs/dbraw/zinc/31/88/67/379318867.db2.gz ZQSXGEWXFGSBHR-AWEZNQCLSA-N 0 3 299.422 2.475 10 0 CEAEHN OC[C@@H]1CCCN1C[C@H]1CCCN1c1ccncc1Cl ZINC000301696508 379297432 /nfs/dbraw/zinc/29/74/32/379297432.db2.gz BHJRCOABSICYDO-OLZOCXBDSA-N 0 3 295.814 2.161 10 0 CEAEHN CCN1CCC[C@H]1CN(C)c1nccc(C(F)(F)F)n1 ZINC000267021580 190297652 /nfs/dbraw/zinc/29/76/52/190297652.db2.gz JRYIWQJAPLROQO-JTQLQIEISA-N 0 3 288.317 2.416 10 0 CEAEHN C[C@H]1C[C@H](O)CN(Cc2cnc3ccccc3c2)C1 ZINC000334745551 207004876 /nfs/dbraw/zinc/00/48/76/207004876.db2.gz HXIYLHAUALQAMQ-WFASDCNBSA-N 0 3 256.349 2.438 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N(C)C1CCCCC1)[C@H]1CCCO1 ZINC000183170153 542287907 /nfs/dbraw/zinc/28/79/07/542287907.db2.gz PCCHYOAKNSPMBC-VNHYZAJKSA-N 0 3 282.428 2.323 10 0 CEAEHN CCNCc1cc(S(=O)(=O)N(C)[C@H](C)CC)cs1 ZINC000088949125 184614809 /nfs/dbraw/zinc/61/48/09/184614809.db2.gz QKJZDOIOXCZWOW-SNVBAGLBSA-N 0 3 290.454 2.277 10 0 CEAEHN CCCN(C(C)C)S(=O)(=O)c1cc(CN)ccc1F ZINC000088945679 184615398 /nfs/dbraw/zinc/61/53/98/184615398.db2.gz ZHBISXOYSDPLDW-UHFFFAOYSA-N 0 3 288.388 2.094 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000177708402 285239317 /nfs/dbraw/zinc/23/93/17/285239317.db2.gz QBKAFSCIUILPQX-JKSUJKDBSA-N 0 3 297.487 2.296 10 0 CEAEHN COC(=O)c1coc(CNCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000281286475 195180992 /nfs/dbraw/zinc/18/09/92/195180992.db2.gz OTCFPOBJPXHYSS-GHMZBOCLSA-N 0 3 281.352 2.359 10 0 CEAEHN CN[C@@H](C)[C@H](C)S(=O)(=O)c1ccccc1Cl ZINC000081920465 177893880 /nfs/dbraw/zinc/89/38/80/177893880.db2.gz WQVVHQDGYKNBTN-IUCAKERBSA-N 0 3 261.774 2.110 10 0 CEAEHN CC[C@](C)(N)C(=O)N(Cc1ccc(C)o1)C(C)C ZINC000094235266 184767385 /nfs/dbraw/zinc/76/73/85/184767385.db2.gz NWSWDOMWQXFLRY-AWEZNQCLSA-N 0 3 252.358 2.452 10 0 CEAEHN CCN(CC)c1ccc(NC(=O)C(N)(CC)CC)cn1 ZINC000094244018 184769157 /nfs/dbraw/zinc/76/91/57/184769157.db2.gz VFPIOWIDUVQKGD-UHFFFAOYSA-N 0 3 278.400 2.384 10 0 CEAEHN N[C@H](c1ccccn1)[C@H]1CCOC2(CCOCC2)C1 ZINC000094397940 184793458 /nfs/dbraw/zinc/79/34/58/184793458.db2.gz YJPFIGAYCRJVDH-JSGCOSHPSA-N 0 3 262.353 2.057 10 0 CEAEHN COc1ccc(OC)c([C@H](CN)N2CCC(C)(C)C2)c1 ZINC000094798805 184866650 /nfs/dbraw/zinc/86/66/50/184866650.db2.gz DGPWOWNLZMSUKN-AWEZNQCLSA-N 0 3 278.396 2.436 10 0 CEAEHN Cc1nc(COc2ccc(F)cc2[C@@H](C)N)no1 ZINC000094619841 184827206 /nfs/dbraw/zinc/82/72/06/184827206.db2.gz BKVMDMMFABGYJH-SSDOTTSWSA-N 0 3 251.261 2.116 10 0 CEAEHN CC[C@H](N)[C@H](C)S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719857 184846163 /nfs/dbraw/zinc/84/61/63/184846163.db2.gz QOEURSGJNOOYLO-JSGCOSHPSA-N 0 3 269.410 2.344 10 0 CEAEHN CN[C@@](C)(CCSCc1cc(C)cc(C)c1)C(N)=O ZINC000094719473 184846309 /nfs/dbraw/zinc/84/63/09/184846309.db2.gz LMPXQQWTVASEHC-HNNXBMFYSA-N 0 3 280.437 2.390 10 0 CEAEHN CCOC(=O)CCN[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189896156 130036450 /nfs/dbraw/zinc/03/64/50/130036450.db2.gz ZTBGMRJXLGYJNY-CYBMUJFWSA-N 0 3 287.363 2.476 10 0 CEAEHN C[C@H]1OCCC[C@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000191717812 130285440 /nfs/dbraw/zinc/28/54/40/130285440.db2.gz QKQXZNGNTPFZQV-CZUORRHYSA-N 0 3 290.407 2.180 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(CN(C)C)c1 ZINC000191717830 130286416 /nfs/dbraw/zinc/28/64/16/130286416.db2.gz QKQXZNGNTPFZQV-XJKSGUPXSA-N 0 3 290.407 2.180 10 0 CEAEHN C[C@@H](CNCc1ccc([C@H]2C[C@H]2C)o1)N1CCOCC1 ZINC000263165654 131284588 /nfs/dbraw/zinc/28/45/88/131284588.db2.gz PXQXMWZMNJMUQM-IPYPFGDCSA-N 0 3 278.396 2.213 10 0 CEAEHN CC[C@@H]1CNCCN1c1ccc(Br)cn1 ZINC000082476597 135007402 /nfs/dbraw/zinc/00/74/02/135007402.db2.gz XXLXEZCADHROCY-SNVBAGLBSA-N 0 3 270.174 2.032 10 0 CEAEHN C[C@H]1CNCCN1c1ccc(Br)cc1F ZINC000083086664 135014081 /nfs/dbraw/zinc/01/40/81/135014081.db2.gz XDHFPYZULZXDQG-QMMMGPOBSA-N 0 3 273.149 2.386 10 0 CEAEHN N=C(N)c1cccc(N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000088421411 135054666 /nfs/dbraw/zinc/05/46/66/135054666.db2.gz DIAMHUAEALUSAY-QMMMGPOBSA-N 0 3 272.274 2.144 10 0 CEAEHN CC[C@H](C)N1CCN(c2nc(Cl)ncc2C)CC1 ZINC000091658968 135072918 /nfs/dbraw/zinc/07/29/18/135072918.db2.gz MYYOTJXANLCCMP-NSHDSACASA-N 0 3 268.792 2.359 10 0 CEAEHN CN1CCc2nc3c(c(N)c2C1)CCN3c1ccccc1 ZINC000005738061 394459061 /nfs/dbraw/zinc/45/90/61/394459061.db2.gz GVLNQIRRUFOYRQ-UHFFFAOYSA-N 0 3 280.375 2.346 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2scnc2C)C1 ZINC000066701055 394577395 /nfs/dbraw/zinc/57/73/95/394577395.db2.gz KKJOFTACXCMTRN-LBPRGKRZSA-N 0 3 296.440 2.077 10 0 CEAEHN C[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)NCCS2 ZINC000306782388 394517964 /nfs/dbraw/zinc/51/79/64/394517964.db2.gz QOLFSTSVIVJBIZ-GXFFZTMASA-N 0 3 272.414 2.439 10 0 CEAEHN CN(C(=O)OCc1ccccc1)[C@H]1CN2CCC1CC2 ZINC000306817637 394518664 /nfs/dbraw/zinc/51/86/64/394518664.db2.gz DWYRGUWBAKDVOE-HNNXBMFYSA-N 0 3 274.364 2.349 10 0 CEAEHN C[C@H](O)CN1CCN([C@H]2CCCc3ccccc32)C[C@H]1C ZINC000247545168 394532299 /nfs/dbraw/zinc/53/22/99/394532299.db2.gz DKVFBWRLWPERIN-VKJFTORMSA-N 0 3 288.435 2.451 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccnc1Cl ZINC000247558169 394532787 /nfs/dbraw/zinc/53/27/87/394532787.db2.gz ZVNFXVFCXHEVCL-QWRGUYRKSA-N 0 3 279.771 2.044 10 0 CEAEHN Cc1oc2ccccc2c1CN[C@H]1CCC(=O)N[C@H]1C ZINC000281883576 394868216 /nfs/dbraw/zinc/86/82/16/394868216.db2.gz XKZGTGMXIMTZID-HZMBPMFUSA-N 0 3 272.348 2.498 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)o1 ZINC000282061924 394904327 /nfs/dbraw/zinc/90/43/27/394904327.db2.gz BMUHNMDEFCNIMZ-RSLMWUCJSA-N 0 3 262.353 2.160 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C)nc1 ZINC000175025678 395130974 /nfs/dbraw/zinc/13/09/74/395130974.db2.gz HRSLPNKJBDZVHN-HUUCEWRRSA-N 0 3 273.380 2.089 10 0 CEAEHN COc1c(CNC[C@H](C)CC(F)(F)F)c(C)nn1C ZINC000396900051 395219886 /nfs/dbraw/zinc/21/98/86/395219886.db2.gz CQFWTGKYTNHXMZ-MRVPVSSYSA-N 0 3 279.306 2.415 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccns1 ZINC000404287915 395280889 /nfs/dbraw/zinc/28/08/89/395280889.db2.gz JANUJMYPZLVPDA-VXGBXAGGSA-N 0 3 251.399 2.202 10 0 CEAEHN COc1c(C)cnc(CN2CCC[C@H](O)[C@@H]2C)c1C ZINC000295822984 395302383 /nfs/dbraw/zinc/30/23/83/395302383.db2.gz CAKAYZVVKDHGLZ-JSGCOSHPSA-N 0 3 264.369 2.052 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)COc2cc(C)ccc2C)C1 ZINC000194631475 395444426 /nfs/dbraw/zinc/44/44/26/395444426.db2.gz DDHXJWUNHKMOMP-OAHLLOKOSA-N 0 3 290.407 2.283 10 0 CEAEHN NCc1cn(CCOc2c(Cl)cccc2Cl)nn1 ZINC000050224808 400238069 /nfs/dbraw/zinc/23/80/69/400238069.db2.gz AOKFDZDGXKYDQF-UHFFFAOYSA-N 0 3 287.150 2.123 10 0 CEAEHN C[C@H](COCc1ccccc1)NC[C@](C)(O)C(F)(F)F ZINC000390634313 400540992 /nfs/dbraw/zinc/54/09/92/400540992.db2.gz CHZYGHDLQRZTSO-YPMHNXCESA-N 0 3 291.313 2.495 10 0 CEAEHN CCOC(=O)[C@@H](CNCc1ccccc1)SC ZINC000584642098 400613159 /nfs/dbraw/zinc/61/31/59/400613159.db2.gz DSTAFOLCXPUOQK-GFCCVEGCSA-N 0 3 253.367 2.071 10 0 CEAEHN Cc1ccc(CCCN2CCCNC(=O)[C@H]2C)cc1 ZINC000189272435 153086331 /nfs/dbraw/zinc/08/63/31/153086331.db2.gz VJXWFGVGZWMNKL-CQSZACIVSA-N 0 3 260.381 2.138 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191779860 153190674 /nfs/dbraw/zinc/19/06/74/153190674.db2.gz VLTXTOCKMYHMCW-RBSFLKMASA-N 0 3 282.428 2.182 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC(C)(C)CC(C)=O ZINC000191889136 153196440 /nfs/dbraw/zinc/19/64/40/153196440.db2.gz CIKXNEOOJAGTKP-CQSZACIVSA-N 0 3 282.428 2.325 10 0 CEAEHN C[C@@H](NCc1ccc2c(c1)sc(=O)n2C)[C@H]1CCCO1 ZINC000192470080 153208818 /nfs/dbraw/zinc/20/88/18/153208818.db2.gz TXUGZAHJQNEYEM-ZWNOBZJWSA-N 0 3 292.404 2.257 10 0 CEAEHN O=C(c1ccc(OC(F)F)cc1)N1CCN2CCC[C@H]2C1 ZINC000195309247 153281405 /nfs/dbraw/zinc/28/14/05/153281405.db2.gz WZSNUKBSRXWOFJ-LBPRGKRZSA-N 0 3 296.317 2.208 10 0 CEAEHN O=C(Cc1c(F)cccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000195314780 153284178 /nfs/dbraw/zinc/28/41/78/153284178.db2.gz PYZUFHBQLOFQBK-NSHDSACASA-N 0 3 296.773 2.328 10 0 CEAEHN CCCOc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000195334033 153287900 /nfs/dbraw/zinc/28/79/00/153287900.db2.gz NCGBOSMZZNYNLL-HNNXBMFYSA-N 0 3 288.391 2.396 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H](C)C[C@@H](C)O)c1C ZINC000228090013 153357209 /nfs/dbraw/zinc/35/72/09/153357209.db2.gz JMYCKULEMFAKAB-AXFHLTTASA-N 0 3 253.390 2.330 10 0 CEAEHN C[C@@H]1CCC[C@@H](Cc2nc([C@H]3CNCCN3C)no2)C1 ZINC000263129523 154022194 /nfs/dbraw/zinc/02/21/94/154022194.db2.gz BOEBQLYTDXRITE-JHJVBQTASA-N 0 3 278.400 2.015 10 0 CEAEHN CCS[C@H](c1nc([C@H]2CNCCN2C)no1)C(C)C ZINC000263245716 154042137 /nfs/dbraw/zinc/04/21/37/154042137.db2.gz PFXDSUWNMRNAIC-MNOVXSKESA-N 0 3 284.429 2.096 10 0 CEAEHN CN1CCNC[C@H]1c1noc(/C=C/C2CCCCC2)n1 ZINC000263266373 154044360 /nfs/dbraw/zinc/04/43/60/154044360.db2.gz RPBMSEOXUDZNIY-GWJCSSMESA-N 0 3 276.384 2.239 10 0 CEAEHN C[C@H]1CCC[C@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263461924 154100681 /nfs/dbraw/zinc/10/06/81/154100681.db2.gz BXJCGZKGZKCPHX-VYESFELBSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H]1CCC[C@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461924 154100685 /nfs/dbraw/zinc/10/06/85/154100685.db2.gz BXJCGZKGZKCPHX-VYESFELBSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H]1CCC[C@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461924 154100688 /nfs/dbraw/zinc/10/06/88/154100688.db2.gz BXJCGZKGZKCPHX-VYESFELBSA-N 0 3 280.412 2.092 10 0 CEAEHN COCCC[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000178076445 292378454 /nfs/dbraw/zinc/37/84/54/292378454.db2.gz XGSKLOOQPWYGGS-NEPJUHHUSA-N 0 3 266.389 2.080 10 0 CEAEHN C[C@@H](C(=O)N1CCS[C@@H](C)C1)N1CCCCCC1 ZINC000173133565 286757601 /nfs/dbraw/zinc/75/76/01/286757601.db2.gz ZYZGTEBLSYXBMV-STQMWFEESA-N 0 3 270.442 2.215 10 0 CEAEHN CCCCc1noc([C@@H](C)N2CCN3CCC[C@@H]3C2)n1 ZINC000171639682 165050623 /nfs/dbraw/zinc/05/06/23/165050623.db2.gz AXUAAGZIGXMDBK-CHWSQXEVSA-N 0 3 278.400 2.253 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)NC1CCC(C)CC1 ZINC000175358143 165132732 /nfs/dbraw/zinc/13/27/32/165132732.db2.gz KWZUBUUUAHYIPC-UYSNPLJNSA-N 0 3 295.471 2.097 10 0 CEAEHN CCCCCC(C)(C)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000175421098 165135049 /nfs/dbraw/zinc/13/50/49/165135049.db2.gz YCWQADKNCUHEBE-AWEZNQCLSA-N 0 3 284.444 2.382 10 0 CEAEHN CC(C)CC(C)(C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000175385025 165135549 /nfs/dbraw/zinc/13/55/49/165135549.db2.gz IIMJENOOVNOMCG-ZDUSSCGKSA-N 0 3 252.402 2.365 10 0 CEAEHN COc1cccc([C@H](C)N2CCO[C@H](CN(C)C)C2)c1 ZINC000175653553 165140655 /nfs/dbraw/zinc/14/06/55/165140655.db2.gz VIGWIHMWYUWGIS-XJKSGUPXSA-N 0 3 278.396 2.019 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@H]1C=CCC1 ZINC000176998036 165179527 /nfs/dbraw/zinc/17/95/27/165179527.db2.gz VGEOWEXKVYXSAI-UONOGXRCSA-N 0 3 250.386 2.285 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccsc1 ZINC000176977302 165182621 /nfs/dbraw/zinc/18/26/21/165182621.db2.gz MUMPSMZQNGIVRG-LBPRGKRZSA-N 0 3 252.383 2.304 10 0 CEAEHN CCC(CC)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000177313015 165192027 /nfs/dbraw/zinc/19/20/27/165192027.db2.gz RQAXZSRPEHQMSX-CYBMUJFWSA-N 0 3 255.406 2.301 10 0 CEAEHN CC[C@@H]1CN(Cc2cc(F)ccc2C)CCN1C[C@@H](C)O ZINC000180099342 165298147 /nfs/dbraw/zinc/29/81/47/165298147.db2.gz OYLFRWCTGFYWRC-RHSMWYFYSA-N 0 3 294.414 2.411 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccnc1Cl ZINC000247048069 287229553 /nfs/dbraw/zinc/22/95/53/287229553.db2.gz WCNBSOAXEPHFFJ-NEPJUHHUSA-N 0 3 293.798 2.434 10 0 CEAEHN C[C@H](NCc1cnc(C(C)(C)C)nc1)[C@H]1CCCO1 ZINC000284299063 196024747 /nfs/dbraw/zinc/02/47/47/196024747.db2.gz IQCOQXOFSAXZDS-WCQYABFASA-N 0 3 263.385 2.431 10 0 CEAEHN COc1cccc([C@H](CN)NC(=O)OC(C)(C)C)c1OC ZINC000019414768 170791007 /nfs/dbraw/zinc/79/10/07/170791007.db2.gz WAMAKIMPKFQSLD-NSHDSACASA-N 0 3 296.367 2.228 10 0 CEAEHN O=C(CCN[C@H]1CCc2ccccc21)N1CCCC1 ZINC000020127243 171011949 /nfs/dbraw/zinc/01/19/49/171011949.db2.gz BIRRVOKHGASPHF-HNNXBMFYSA-N 0 3 258.365 2.276 10 0 CEAEHN CCCOc1ccc([C@@H](C)NCCNC(C)=O)cc1 ZINC000020148947 171037549 /nfs/dbraw/zinc/03/75/49/171037549.db2.gz ATJAKFKNCAGXRL-GFCCVEGCSA-N 0 3 264.369 2.262 10 0 CEAEHN CN1CCCN(Cc2ccc(Cl)c(N)c2)CC1 ZINC000020217802 171080938 /nfs/dbraw/zinc/08/09/38/171080938.db2.gz CYNQRBMRSYOPPI-UHFFFAOYSA-N 0 3 253.777 2.060 10 0 CEAEHN NC[C@@H](c1ccc(OC(F)F)cc1)N1CCSCC1 ZINC000020257058 171111982 /nfs/dbraw/zinc/11/19/82/171111982.db2.gz JEFXPZYHLQEKDA-LBPRGKRZSA-N 0 3 288.363 2.337 10 0 CEAEHN NCc1cccc(S(=O)(=O)N2CCCCCCC2)c1 ZINC000020265469 171122883 /nfs/dbraw/zinc/12/28/83/171122883.db2.gz WHRHPNLNRPNIDG-UHFFFAOYSA-N 0 3 282.409 2.100 10 0 CEAEHN CCNC(=O)[C@@H](C)NC[C@H](c1ccccc1)N(CC)CC ZINC000020310111 171144184 /nfs/dbraw/zinc/14/41/84/171144184.db2.gz NJHNQXTWYIWHMO-GDBMZVCRSA-N 0 3 291.439 2.184 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)N ZINC000020419442 171184588 /nfs/dbraw/zinc/18/45/88/171184588.db2.gz SMCPYHQHKOFXAM-IJLUTSLNSA-N 0 3 264.369 2.388 10 0 CEAEHN CCn1ncc(CN[C@@H]2COc3ccccc3C2)c1C ZINC000020784588 171272787 /nfs/dbraw/zinc/27/27/87/171272787.db2.gz WDIXXPIOQVWQOW-HNNXBMFYSA-N 0 3 271.364 2.305 10 0 CEAEHN CCC[C@@H](C)NS(=O)(=O)c1cccc([C@H](C)N)c1 ZINC000021814400 171331676 /nfs/dbraw/zinc/33/16/76/171331676.db2.gz KQOSHKJQDKOKIX-MNOVXSKESA-N 0 3 270.398 2.173 10 0 CEAEHN [NH3+]Cc1ccccc1S(=O)(=O)[N-]c1ccccc1F ZINC000022177880 171371305 /nfs/dbraw/zinc/37/13/05/171371305.db2.gz ZPYCLPLBYQTVIV-UHFFFAOYSA-N 0 3 280.324 2.085 10 0 CEAEHN CCOc1cc([C@H](CN)N(C)C)ccc1OC(F)F ZINC000022177383 171371661 /nfs/dbraw/zinc/37/16/61/171371661.db2.gz CZXOYEWFTAGHQX-JTQLQIEISA-N 0 3 274.311 2.248 10 0 CEAEHN CN(C)CCNCc1ccc(F)c(Br)c1 ZINC000022222240 171378976 /nfs/dbraw/zinc/37/89/76/171378976.db2.gz MFNVUBVYVMYTPL-UHFFFAOYSA-N 0 3 275.165 2.239 10 0 CEAEHN COCCN(CCOC)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000032052995 171691428 /nfs/dbraw/zinc/69/14/28/171691428.db2.gz IAAOJSPIJZRHHL-KRWDZBQOSA-N 0 3 294.439 2.405 10 0 CEAEHN CCCCN(CC)c1c(CNCC)c(C)nn1C ZINC000034823688 171877260 /nfs/dbraw/zinc/87/72/60/171877260.db2.gz KSIPFGXIIHCSHB-UHFFFAOYSA-N 0 3 252.406 2.464 10 0 CEAEHN C[C@@H](N)c1ccc2ccccc2c1OC[C@H](C)C(N)=O ZINC000035427187 172194789 /nfs/dbraw/zinc/19/47/89/172194789.db2.gz MRRUWZHHLOAMCN-WDEREUQCSA-N 0 3 272.348 2.360 10 0 CEAEHN CNCc1c(N2CCC(C)CC2)nc2sccn12 ZINC000035429549 172197278 /nfs/dbraw/zinc/19/72/78/172197278.db2.gz TWYXZBKTCRLDPT-UHFFFAOYSA-N 0 3 264.398 2.352 10 0 CEAEHN CCNCc1c(N2CCCCC2)nc2sccn12 ZINC000035429913 172198424 /nfs/dbraw/zinc/19/84/24/172198424.db2.gz LQNSLOFUNGJAJN-UHFFFAOYSA-N 0 3 264.398 2.496 10 0 CEAEHN C[C@@H](O)c1cc(F)ccc1N(C)C1CCN(C)CC1 ZINC000035631320 172313989 /nfs/dbraw/zinc/31/39/89/172313989.db2.gz MORKMAYTGNTJIN-LLVKDONJSA-N 0 3 266.360 2.409 10 0 CEAEHN CCCCNS(=O)(=O)c1cccc([C@H](C)NC)c1 ZINC000035633202 172316123 /nfs/dbraw/zinc/31/61/23/172316123.db2.gz RLVOKDOVENWRNP-NSHDSACASA-N 0 3 270.398 2.045 10 0 CEAEHN Cn1cc(N[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000035737446 172390751 /nfs/dbraw/zinc/39/07/51/172390751.db2.gz YNAHGAHVOKQACQ-CQSZACIVSA-N 0 3 256.353 2.107 10 0 CEAEHN CCCN[C@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760602 172398646 /nfs/dbraw/zinc/39/86/46/172398646.db2.gz AWKIWZPLHYTMNA-JQWIXIFHSA-N 0 3 253.367 2.293 10 0 CEAEHN COc1ccc2c(c1)[C@@H](NCCCn1ccnc1)CCO2 ZINC000037249444 173062119 /nfs/dbraw/zinc/06/21/19/173062119.db2.gz CXBCLTUEQZNTKK-HNNXBMFYSA-N 0 3 287.363 2.395 10 0 CEAEHN Cc1cccc([C@H](N)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000037308708 173111669 /nfs/dbraw/zinc/11/16/69/173111669.db2.gz WHANAHKXJPEWNH-AWEZNQCLSA-N 0 3 254.289 2.478 10 0 CEAEHN CCOc1ccccc1CNCCCC(=O)OC ZINC000037395187 173175131 /nfs/dbraw/zinc/17/51/31/173175131.db2.gz MLYFXZHDOSFASD-UHFFFAOYSA-N 0 3 251.326 2.128 10 0 CEAEHN CC(C)[C@H](NC(=O)CNC1CC1)c1ccc(F)cc1 ZINC000037395405 173175931 /nfs/dbraw/zinc/17/59/31/173175931.db2.gz OKZOIOXOLHKYEG-HNNXBMFYSA-N 0 3 264.344 2.391 10 0 CEAEHN CN(Cc1cc(N)ccc1Cl)C1CCN(C)CC1 ZINC000037403021 173179461 /nfs/dbraw/zinc/17/94/61/173179461.db2.gz ZQKMSQXSHODXEV-UHFFFAOYSA-N 0 3 267.804 2.448 10 0 CEAEHN C[C@](N)(C(N)=O)C(c1ccccc1)c1ccccc1 ZINC000037870573 173815435 /nfs/dbraw/zinc/81/54/35/173815435.db2.gz UFPAFYIHSOKJBG-MRXNPFEDSA-N 0 3 254.333 2.021 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000040487088 174289641 /nfs/dbraw/zinc/28/96/41/174289641.db2.gz SEPPQGUCLVMLKP-JNRDSBMFSA-N 0 3 264.413 2.445 10 0 CEAEHN COc1ccc([C@H](C)NC[C@H](O)COC(C)C)cc1OC ZINC000040491056 174292269 /nfs/dbraw/zinc/29/22/69/174292269.db2.gz VSOOHOQFUFXNGM-JSGCOSHPSA-N 0 3 297.395 2.140 10 0 CEAEHN C[C@H](NCc1cc2c(s1)CCC2)C(=O)N1CCCC1 ZINC000040627601 174356948 /nfs/dbraw/zinc/35/69/48/174356948.db2.gz ZZWUWXRGAPYIAJ-NSHDSACASA-N 0 3 278.421 2.337 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000040630220 174357746 /nfs/dbraw/zinc/35/77/46/174357746.db2.gz PCJBEQJGCICIBL-QWRGUYRKSA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000040629726 174357822 /nfs/dbraw/zinc/35/78/22/174357822.db2.gz PZWDJMGNFUWRCE-WFASDCNBSA-N 0 3 270.332 2.155 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc3ccccc3c2)C1 ZINC000040632815 174358707 /nfs/dbraw/zinc/35/87/07/174358707.db2.gz CXHJWEJTUKVPOR-HUUCEWRRSA-N 0 3 270.332 2.155 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3ccc(F)c(F)c3)c[nH]2)C1 ZINC000040637850 174361692 /nfs/dbraw/zinc/36/16/92/174361692.db2.gz CFBGBNZTGJBCMY-CABZTGNLSA-N 0 3 279.290 2.404 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3ccccc3)c(C)[nH]2)C1 ZINC000040637909 174361851 /nfs/dbraw/zinc/36/18/51/174361851.db2.gz PKQUYUGRFRXHGZ-OLZOCXBDSA-N 0 3 257.337 2.435 10 0 CEAEHN COc1cccc(-c2c[nH]c([C@@H]3C[C@@H](OC)CN3)n2)c1 ZINC000040637713 174362075 /nfs/dbraw/zinc/36/20/75/174362075.db2.gz DMPBFGJMDFNECS-OLZOCXBDSA-N 0 3 273.336 2.135 10 0 CEAEHN CC(C)Oc1cccc([C@H](CO)NC[C@@H]2CCCO2)c1 ZINC000040666839 174366559 /nfs/dbraw/zinc/36/65/59/174366559.db2.gz RFUFEVAXYPMLIN-HOTGVXAUSA-N 0 3 279.380 2.276 10 0 CEAEHN Cc1cc(C)cc(Oc2ncnc(NN(C)C)c2N)c1 ZINC000040681408 174375511 /nfs/dbraw/zinc/37/55/11/174375511.db2.gz FZOSLSPSNUMMHP-UHFFFAOYSA-N 0 3 273.340 2.356 10 0 CEAEHN C[C@@H]1CC(=O)N(C[C@@H](N)c2ccc3ccccc3c2)C1=O ZINC000040739839 174390546 /nfs/dbraw/zinc/39/05/46/174390546.db2.gz LFJNKXOXRBMDIB-IAQYHMDHSA-N 0 3 282.343 2.235 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400191355 414747679 /nfs/dbraw/zinc/74/76/79/414747679.db2.gz ZVNLOVBKKRZUBJ-FDZXDKCCSA-N 0 3 252.402 2.302 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@H](CN)C(F)(F)F)c(F)cc1F ZINC000662981975 414817041 /nfs/dbraw/zinc/81/70/41/414817041.db2.gz SXRKBNJZXQWXOH-SNVBAGLBSA-N 0 3 296.239 2.235 10 0 CEAEHN CCc1ccc(C(=O)N(C)[C@H](CN)C(F)(F)F)cc1 ZINC000662977515 414817557 /nfs/dbraw/zinc/81/75/57/414817557.db2.gz VDFYSCSQNNKWQR-LLVKDONJSA-N 0 3 274.286 2.211 10 0 CEAEHN CN(C(=O)c1cccc2[nH]ccc21)[C@@H](CN)C(F)(F)F ZINC000662986430 414819667 /nfs/dbraw/zinc/81/96/67/414819667.db2.gz FLPRSXBTYFNODO-NSHDSACASA-N 0 3 285.269 2.130 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1snnc1C ZINC000311832384 414863391 /nfs/dbraw/zinc/86/33/91/414863391.db2.gz PHTQLZYIKRHENV-OLZOCXBDSA-N 0 3 280.441 2.295 10 0 CEAEHN COCCN(CC(C)C)[C@H](CN)c1ccccc1F ZINC000042368183 174698691 /nfs/dbraw/zinc/69/86/91/174698691.db2.gz AMJSRNUYCSOVPE-OAHLLOKOSA-N 0 3 268.376 2.430 10 0 CEAEHN CCNCc1cc(F)ccc1N(CCCOC)CCOC ZINC000042424051 174723482 /nfs/dbraw/zinc/72/34/82/174723482.db2.gz PNKZIPYARWBWJB-UHFFFAOYSA-N 0 3 298.402 2.425 10 0 CEAEHN CC(C)N(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H](C)N1 ZINC000042781261 174877369 /nfs/dbraw/zinc/87/73/69/174877369.db2.gz GSONDSQFSVBCTN-UWVGGRQHSA-N 0 3 266.307 2.316 10 0 CEAEHN OCC1CC(NCc2ccc(Br)s2)C1 ZINC000657809298 415087840 /nfs/dbraw/zinc/08/78/40/415087840.db2.gz VPQSLLJHDPOTEX-UHFFFAOYSA-N 0 3 276.199 2.371 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@@H](OC2CCC2)C1 ZINC000653812031 415114750 /nfs/dbraw/zinc/11/47/50/415114750.db2.gz ADJHVQPLJSVWHB-GDBMZVCRSA-N 0 3 285.428 2.198 10 0 CEAEHN N[C@@H](c1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300097 175000924 /nfs/dbraw/zinc/00/09/24/175000924.db2.gz NYOMCMGAZKVQRF-RDDDGLTNSA-N 0 3 294.203 2.428 10 0 CEAEHN CN[C@H](c1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043300642 175001671 /nfs/dbraw/zinc/00/16/71/175001671.db2.gz NIYFPKJKWMNLMQ-ZFWWWQNUSA-N 0 3 281.421 2.307 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301173 175001978 /nfs/dbraw/zinc/00/19/78/175001978.db2.gz VVDCHLJIVUSFNB-OCCSQVGLSA-N 0 3 285.384 2.301 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000043301111 175002070 /nfs/dbraw/zinc/00/20/70/175002070.db2.gz BVBMGSQEISGMDC-ZFWWWQNUSA-N 0 3 281.421 2.389 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccco1)N(CCOC)C1CC1 ZINC000043335870 175011568 /nfs/dbraw/zinc/01/15/68/175011568.db2.gz JCCZPOOGWGARDY-OCCSQVGLSA-N 0 3 252.358 2.169 10 0 CEAEHN NC[C@@H](Oc1ccc(F)cc1F)c1ccccn1 ZINC000043341748 175015027 /nfs/dbraw/zinc/01/50/27/175015027.db2.gz IEVCCDUZPIMKPB-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN COc1ccccc1CN(C)[C@H](CN)c1ccncc1 ZINC000043354040 175021824 /nfs/dbraw/zinc/02/18/24/175021824.db2.gz JUCPBUKNQBZOPC-OAHLLOKOSA-N 0 3 271.364 2.222 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043363674 175024264 /nfs/dbraw/zinc/02/42/64/175024264.db2.gz FSWILXGDAGYVNP-XFMPKHEZSA-N 0 3 266.385 2.476 10 0 CEAEHN Cc1ccc([C@@H]([C@H](C)N)N2CCOC(C)(C)C2)o1 ZINC000043364452 175025742 /nfs/dbraw/zinc/02/57/42/175025742.db2.gz NDMHGJIUTUKQNT-WCQYABFASA-N 0 3 252.358 2.087 10 0 CEAEHN Cc1ccc([C@@H]([C@H](C)N)N(C)CC(F)(F)F)o1 ZINC000043364514 175025866 /nfs/dbraw/zinc/02/58/66/175025866.db2.gz QGKQUQYIWJXEPX-WCBMZHEXSA-N 0 3 250.264 2.470 10 0 CEAEHN CCC(CC)N(CCO)[C@H](CN)c1ccc(C)o1 ZINC000043365183 175026906 /nfs/dbraw/zinc/02/69/06/175026906.db2.gz IAAAJZJVDXFJHK-CYBMUJFWSA-N 0 3 254.374 2.071 10 0 CEAEHN CCN(C[C@H](NC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043821359 175114709 /nfs/dbraw/zinc/11/47/09/175114709.db2.gz DOXVHOKCXKJYFP-ZDUSSCGKSA-N 0 3 262.353 2.160 10 0 CEAEHN CCN[C@H](CN1CCOC[C@@H]1C)c1ccccc1OC ZINC000043891409 175118350 /nfs/dbraw/zinc/11/83/50/175118350.db2.gz RKXVNFUPRUTYPZ-DZGCQCFKSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](CN(C)C1CCOCC1)c1cc(C)ccc1OC ZINC000043898240 175120916 /nfs/dbraw/zinc/12/09/16/175120916.db2.gz SNNCPFKQOAHAHU-MRXNPFEDSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN(CCOC)C[C@@H](NC)c1cc(C)ccc1OC ZINC000043968548 175129488 /nfs/dbraw/zinc/12/94/88/175129488.db2.gz LIGNUFDTUCEEIM-OAHLLOKOSA-N 0 3 280.412 2.232 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)COC ZINC000043969321 175130571 /nfs/dbraw/zinc/13/05/71/175130571.db2.gz RLHMJWQZQRIFSQ-JGGQBBKZSA-N 0 3 278.396 2.065 10 0 CEAEHN CCOc1ccc([C@@H](CN(CCOC)C2CC2)NC)cc1 ZINC000043969709 175131391 /nfs/dbraw/zinc/13/13/91/175131391.db2.gz ZHEFERUVGHSSNX-QGZVFWFLSA-N 0 3 292.423 2.457 10 0 CEAEHN CCn1cc([C@H](C)N[C@H]2CCCN(CC)C2)cn1 ZINC000044500068 175185221 /nfs/dbraw/zinc/18/52/21/175185221.db2.gz RKUXVVUJFIZESQ-JSGCOSHPSA-N 0 3 250.390 2.038 10 0 CEAEHN CCC(CC)N(C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044802028 175255493 /nfs/dbraw/zinc/25/54/93/175255493.db2.gz XOWGYHGUQLFMRM-CQSZACIVSA-N 0 3 262.397 2.451 10 0 CEAEHN CNC(=O)CCN[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000044988274 175285134 /nfs/dbraw/zinc/28/51/34/175285134.db2.gz JGUXOUJOYBSMOR-KRWDZBQOSA-N 0 3 284.359 2.207 10 0 CEAEHN CCCNC(=O)CCN[C@H]1CCCc2cc(O)ccc21 ZINC000045073081 175302538 /nfs/dbraw/zinc/30/25/38/175302538.db2.gz KWDANNMHTNFHFX-HNNXBMFYSA-N 0 3 276.380 2.276 10 0 CEAEHN CN(CC(C)(C)C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000045085685 175303701 /nfs/dbraw/zinc/30/37/01/175303701.db2.gz ILTFJKGPGTYPDB-AWEZNQCLSA-N 0 3 262.397 2.309 10 0 CEAEHN CCCN(CC(N)=S)Cc1cccc(F)c1F ZINC000045093441 175306981 /nfs/dbraw/zinc/30/69/81/175306981.db2.gz WDSAIHDUIKZAMR-UHFFFAOYSA-N 0 3 258.337 2.463 10 0 CEAEHN CCCN[C@](C)(CN1CCC[C@@H]1CC)C(=O)OCC ZINC000045221186 175330086 /nfs/dbraw/zinc/33/00/86/175330086.db2.gz MIDQYYVHDSRXPX-DZGCQCFKSA-N 0 3 270.417 2.182 10 0 CEAEHN CCOC(=O)[C@](CN1CCC[C@@H]1C)(NC)c1ccccc1 ZINC000045221471 175330182 /nfs/dbraw/zinc/33/01/82/175330182.db2.gz ZMYLZWVLMNGBBC-WMLDXEAASA-N 0 3 290.407 2.149 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)[C@@H](C)CC)NC(C)C ZINC000045263899 175337790 /nfs/dbraw/zinc/33/77/90/175337790.db2.gz KKPLZUYOXDXUDO-JSGCOSHPSA-N 0 3 258.406 2.037 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)C1CCCC1)C(=O)[O-] ZINC000045266213 175339043 /nfs/dbraw/zinc/33/90/43/175339043.db2.gz QCIHFPILMOCJLE-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266213 175339044 /nfs/dbraw/zinc/33/90/44/175339044.db2.gz QCIHFPILMOCJLE-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266213 175339045 /nfs/dbraw/zinc/33/90/45/175339045.db2.gz QCIHFPILMOCJLE-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN(CC)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045267586 175339903 /nfs/dbraw/zinc/33/99/03/175339903.db2.gz XLVBECAOTBIQSA-AWEZNQCLSA-N 0 3 258.406 2.038 10 0 CEAEHN CCN[C@](C)(CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269261 175340441 /nfs/dbraw/zinc/34/04/41/175340441.db2.gz FLFDXAMGXULLQG-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000045269261 175340442 /nfs/dbraw/zinc/34/04/42/175340442.db2.gz FLFDXAMGXULLQG-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045279068 175348947 /nfs/dbraw/zinc/34/89/47/175348947.db2.gz ULRUJWPMODOJAX-GZBFAFLISA-N 0 3 270.417 2.340 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045279068 175348949 /nfs/dbraw/zinc/34/89/49/175348949.db2.gz ULRUJWPMODOJAX-GZBFAFLISA-N 0 3 270.417 2.340 10 0 CEAEHN CC[NH2+][C@@](C)(CCN(C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279986 175350143 /nfs/dbraw/zinc/35/01/43/175350143.db2.gz SXLBRGIPPLKMKG-JSGCOSHPSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279986 175350144 /nfs/dbraw/zinc/35/01/44/175350144.db2.gz SXLBRGIPPLKMKG-JSGCOSHPSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000045279986 175350145 /nfs/dbraw/zinc/35/01/45/175350145.db2.gz SXLBRGIPPLKMKG-JSGCOSHPSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281011 175351242 /nfs/dbraw/zinc/35/12/42/175351242.db2.gz PGDSJCKREAISOS-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281011 175351245 /nfs/dbraw/zinc/35/12/45/175351245.db2.gz PGDSJCKREAISOS-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC1CCN(CC[C@](C)(NC2CC2)C(=O)OC)CC1 ZINC000045281478 175352781 /nfs/dbraw/zinc/35/27/81/175352781.db2.gz IYZZBUXERQNOIQ-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN COC(=O)[C@](C)(CN(C)CC1CCCCC1)NC1CC1 ZINC000045281595 175352846 /nfs/dbraw/zinc/35/28/46/175352846.db2.gz MCNHVNOBRIDONJ-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN COC[C@]1(C(=O)Nc2cc(Cl)ccc2OC)CCCN1 ZINC000659270839 415481323 /nfs/dbraw/zinc/48/13/23/415481323.db2.gz HZFLSLQRWQHWRJ-AWEZNQCLSA-N 0 3 298.770 2.056 10 0 CEAEHN CCC(C)(C)[C@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000659339955 415528320 /nfs/dbraw/zinc/52/83/20/415528320.db2.gz OSVGCOHMMQWPKT-GXTWGEPZSA-N 0 3 262.397 2.497 10 0 CEAEHN CCN1CCO[C@@H](CN)[C@@H]1c1cccc(OC(C)C)c1 ZINC000070287895 175886270 /nfs/dbraw/zinc/88/62/70/175886270.db2.gz GHLXJDXRTBXFKG-HOTGVXAUSA-N 0 3 278.396 2.194 10 0 CEAEHN Cc1cc([C@H](C)N2CCC[C@@H](N)C2=O)c(C)s1 ZINC000070494994 175956417 /nfs/dbraw/zinc/95/64/17/175956417.db2.gz GLSISVSKXQRSAG-JOYOIKCWSA-N 0 3 252.383 2.376 10 0 CEAEHN C[C@H](Cc1ccc(F)cc1)N1CC[C@H](NC2CC2)C1=O ZINC000071031262 176022328 /nfs/dbraw/zinc/02/23/28/176022328.db2.gz SJZOZMRXHPRTCO-ABAIWWIYSA-N 0 3 276.355 2.110 10 0 CEAEHN C[C@@H](Cc1ccccc1)N1CCC[C@H](NC2CC2)C1=O ZINC000071031359 176022531 /nfs/dbraw/zinc/02/25/31/176022531.db2.gz SRMZUWLFRWLRNP-BBRMVZONSA-N 0 3 272.392 2.361 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2ccc3c(c2)CCC3)C1=O ZINC000071037839 176026811 /nfs/dbraw/zinc/02/68/11/176026811.db2.gz WIWRDTUGZAYJKK-OAHLLOKOSA-N 0 3 258.365 2.279 10 0 CEAEHN CCN[C@H]1CCCN(c2cc(F)c(F)cc2F)C1=O ZINC000071042655 176028406 /nfs/dbraw/zinc/02/84/06/176028406.db2.gz WMQHAQQYGQYLHU-NSHDSACASA-N 0 3 272.270 2.209 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1c1cnc2ccccc2c1 ZINC000071042728 176029030 /nfs/dbraw/zinc/02/90/30/176029030.db2.gz HCQQZYMBDWOISC-MRXNPFEDSA-N 0 3 281.359 2.482 10 0 CEAEHN C[C@H](Cc1cccs1)N1CC[C@H](NC2CC2)C1=O ZINC000071043801 176029764 /nfs/dbraw/zinc/02/97/64/176029764.db2.gz SEJBPTSSDCSBQC-MFKMUULPSA-N 0 3 264.394 2.032 10 0 CEAEHN CCOc1cncc(N2CCNCc3ccccc32)n1 ZINC000071176114 176054860 /nfs/dbraw/zinc/05/48/60/176054860.db2.gz NQCBBASPYJPHNH-UHFFFAOYSA-N 0 3 270.336 2.117 10 0 CEAEHN Cc1ccc(O[C@H]2CCN(C)C2=O)c(CNC(C)C)c1 ZINC000071183241 176058616 /nfs/dbraw/zinc/05/86/16/176058616.db2.gz MCWXLSHCODEVHY-HNNXBMFYSA-N 0 3 276.380 2.103 10 0 CEAEHN Cc1ccc(O[C@@H]2CCN(C)C2=O)c(CNC(C)C)c1 ZINC000071183240 176058709 /nfs/dbraw/zinc/05/87/09/176058709.db2.gz MCWXLSHCODEVHY-OAHLLOKOSA-N 0 3 276.380 2.103 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cccc2[nH]ccc21 ZINC000071192954 176074224 /nfs/dbraw/zinc/07/42/24/176074224.db2.gz VVPYRBAWTFNMAI-GFCCVEGCSA-N 0 3 271.364 2.192 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)c1nc(C(C)(C)C)c(CO)s1 ZINC000071192645 176074841 /nfs/dbraw/zinc/07/48/41/176074841.db2.gz JLWDCTYJYZVBEU-LLVKDONJSA-N 0 3 297.468 2.321 10 0 CEAEHN COC[C@H](O)CNC1c2ccccc2Cc2ccccc21 ZINC000071264326 176097300 /nfs/dbraw/zinc/09/73/00/176097300.db2.gz XEMUOHJQMLVBNC-OAHLLOKOSA-N 0 3 283.371 2.277 10 0 CEAEHN CCOC(=O)CCCCCn1nc(C)c(CN)c1C ZINC000071297838 176112754 /nfs/dbraw/zinc/11/27/54/176112754.db2.gz KLZQUCNTHLGRQY-UHFFFAOYSA-N 0 3 267.373 2.082 10 0 CEAEHN COc1ccc([C@H]2CNC[C@H](C3CC3)O2)c(OC)c1 ZINC000071308552 176116350 /nfs/dbraw/zinc/11/63/50/176116350.db2.gz NWHYVGUTITVLGR-HUUCEWRRSA-N 0 3 263.337 2.143 10 0 CEAEHN COc1ccc(OC)c([C@H]2CNC[C@@H](C3CC3)O2)c1 ZINC000071308637 176116391 /nfs/dbraw/zinc/11/63/91/176116391.db2.gz LJALLVFLBRDTAS-LSDHHAIUSA-N 0 3 263.337 2.143 10 0 CEAEHN c1cn([C@H]2CCC[C@H]2NCc2cnn3ccccc23)cn1 ZINC000071373011 176138291 /nfs/dbraw/zinc/13/82/91/176138291.db2.gz AHFZLFMBWCIOSM-ZBFHGGJFSA-N 0 3 281.363 2.414 10 0 CEAEHN N[C@H](CO)c1cc(Br)ccc1Cl ZINC000072199130 176339758 /nfs/dbraw/zinc/33/97/58/176339758.db2.gz UNPVIFJKIFEUKM-MRVPVSSYSA-N 0 3 250.523 2.095 10 0 CEAEHN O=[S@@]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000076699062 177061590 /nfs/dbraw/zinc/06/15/90/177061590.db2.gz TWMOXQSXWSBZQN-QAPCUYQASA-N 0 3 263.406 2.421 10 0 CEAEHN Cc1cc2ncc(CNC[C@]3(O)CCC[C@@H](C)C3)cn2n1 ZINC000078638671 177363725 /nfs/dbraw/zinc/36/37/25/177363725.db2.gz MASPACIYOBFFNA-WBMJQRKESA-N 0 3 288.395 2.069 10 0 CEAEHN CCC[C@@H](COC)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000079738886 177547735 /nfs/dbraw/zinc/54/77/35/177547735.db2.gz GIRIVUIQFOZATO-YPMHNXCESA-N 0 3 292.379 2.483 10 0 CEAEHN CCC[C@H](COC)NCC(=O)Nc1ccccc1C ZINC000079743578 177548824 /nfs/dbraw/zinc/54/88/24/177548824.db2.gz IYCOOTSOKFFMQX-CYBMUJFWSA-N 0 3 264.369 2.338 10 0 CEAEHN Cc1n[nH]cc1CNCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000222079821 262313561 /nfs/dbraw/zinc/31/35/61/262313561.db2.gz VIEMWYIQARPJHN-SNVBAGLBSA-N 0 3 282.388 2.111 10 0 CEAEHN CCC[C@@H](C)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000187683287 270255599 /nfs/dbraw/zinc/25/55/99/270255599.db2.gz ZHDSKSXGXXNTEJ-CYBMUJFWSA-N 0 3 278.444 2.343 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000194310814 270295941 /nfs/dbraw/zinc/29/59/41/270295941.db2.gz FNYRKSALSWHLPD-LBPRGKRZSA-N 0 3 291.351 2.021 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCCOc2ccccc2)C1 ZINC000194628978 270302205 /nfs/dbraw/zinc/30/22/05/270302205.db2.gz DBOJCSVVILECMD-HNNXBMFYSA-N 0 3 290.407 2.446 10 0 CEAEHN Cc1ncc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)s1 ZINC000398715855 270361399 /nfs/dbraw/zinc/36/13/99/270361399.db2.gz QIRWNWYDCBCVKK-SRVKXCTJSA-N 0 3 252.383 2.044 10 0 CEAEHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000092632803 276181469 /nfs/dbraw/zinc/18/14/69/276181469.db2.gz HYEXTRIKVDFQBX-ZDUSSCGKSA-N 0 3 276.380 2.257 10 0 CEAEHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000092632803 276181470 /nfs/dbraw/zinc/18/14/70/276181470.db2.gz HYEXTRIKVDFQBX-ZDUSSCGKSA-N 0 3 276.380 2.257 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H]1CCOc2ccccc21)N(C)C ZINC000154171973 276268926 /nfs/dbraw/zinc/26/89/26/276268926.db2.gz BSRSZEUEENFBBO-ZFWWWQNUSA-N 0 3 290.407 2.399 10 0 CEAEHN CN1c2ccccc2[C@@H](NCCc2ccncc2)CC1=O ZINC000048262196 277218155 /nfs/dbraw/zinc/21/81/55/277218155.db2.gz NGNPXHBCXRGYKN-HNNXBMFYSA-N 0 3 281.359 2.322 10 0 CEAEHN COC[C@@H](C)C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000103382239 277243908 /nfs/dbraw/zinc/24/39/08/277243908.db2.gz KOSZGFKORDPPAM-UKRRQHHQSA-N 0 3 288.391 2.280 10 0 CEAEHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccccc1N(C)C)CC2 ZINC000093944302 279144003 /nfs/dbraw/zinc/14/40/03/279144003.db2.gz JIWIPYBTWQMCHM-GXTWGEPZSA-N 0 3 299.422 2.318 10 0 CEAEHN CC(C)Cc1ncc(CN2CCO[C@@H](CN(C)C)C2)s1 ZINC000156651013 279246610 /nfs/dbraw/zinc/24/66/10/279246610.db2.gz QWAOCPZHUOBTBO-ZDUSSCGKSA-N 0 3 297.468 2.104 10 0 CEAEHN CCC[C@H](C(=O)NCC[C@H](OCC)C(C)C)N(C)C ZINC000126712557 279840580 /nfs/dbraw/zinc/84/05/80/279840580.db2.gz GQVIRTORANHAOP-KGLIPLIRSA-N 0 3 272.433 2.284 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115782839 280217592 /nfs/dbraw/zinc/21/75/92/280217592.db2.gz GKYDGMZYBWXRAU-QWHCGFSZSA-N 0 3 255.406 2.014 10 0 CEAEHN CCC[C@H](C(=O)NCCO[C@H]1CCCC[C@H]1C)N(C)C ZINC000245643146 280254911 /nfs/dbraw/zinc/25/49/11/280254911.db2.gz BOLUEAIXIUJQCW-KFWWJZLASA-N 0 3 284.444 2.428 10 0 CEAEHN CCn1nccc1CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245768219 280260214 /nfs/dbraw/zinc/26/02/14/280260214.db2.gz REDKWUMSQXWCCY-DZGCQCFKSA-N 0 3 263.385 2.030 10 0 CEAEHN CCN1CCC[C@@H](N[C@H](C)c2cncc(F)c2)C1 ZINC000246927410 280314482 /nfs/dbraw/zinc/31/44/82/280314482.db2.gz GXKYUUFHONGVJS-BXUZGUMPSA-N 0 3 251.349 2.356 10 0 CEAEHN Cc1ccccc1CCCN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000246960313 280315985 /nfs/dbraw/zinc/31/59/85/280315985.db2.gz OJOLZRJFYRAMSR-DLBZAZTESA-N 0 3 290.451 2.315 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CN1CCO[C@@H](CN(C)C)C1 ZINC000248482426 280349828 /nfs/dbraw/zinc/34/98/28/280349828.db2.gz IWPBASLFPOHIFD-ILXRZTDVSA-N 0 3 254.418 2.075 10 0 CEAEHN Cc1cccc(NC(=O)N2CC[C@H](N(C)C)C2)c1F ZINC000179999832 281238299 /nfs/dbraw/zinc/23/82/99/281238299.db2.gz HNPUHSMDNVTSNA-NSHDSACASA-N 0 3 265.332 2.302 10 0 CEAEHN CC(=O)[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)C1(C)C ZINC000155948767 289186281 /nfs/dbraw/zinc/18/62/81/289186281.db2.gz ODCUTIBLPWJMLQ-BEAPCOKYSA-N 0 3 294.439 2.083 10 0 CEAEHN CCC[C@@H](NC[C@H](C)N1CCOCC1)c1ccccn1 ZINC000158557722 289236147 /nfs/dbraw/zinc/23/61/47/289236147.db2.gz GYDDRFSCYJGEHL-LSDHHAIUSA-N 0 3 277.412 2.233 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1SCC ZINC000262442426 289259722 /nfs/dbraw/zinc/25/97/22/289259722.db2.gz BJXQUTLBQDTAAM-SDDRHHMPSA-N 0 3 258.431 2.294 10 0 CEAEHN NC(C(=O)N[C@H]1CCCc2ccccc21)C(F)(F)F ZINC000336005300 295292980 /nfs/dbraw/zinc/29/29/80/295292980.db2.gz OBBODMAPHROXRR-QWRGUYRKSA-N 0 3 272.270 2.070 10 0 CEAEHN C[C@H](NCC1CC(O)C1)c1ccc(Br)cn1 ZINC000528018607 297778446 /nfs/dbraw/zinc/77/84/46/297778446.db2.gz NBYNWRORMLRQRW-SILCLGDVSA-N 0 3 285.185 2.266 10 0 CEAEHN Cc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000175833485 312702938 /nfs/dbraw/zinc/70/29/38/312702938.db2.gz ILAMSPVMFOPYTC-SNVBAGLBSA-N 0 3 253.371 2.224 10 0 CEAEHN COC[C@](C)(O)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000394586617 329127667 /nfs/dbraw/zinc/12/76/67/329127667.db2.gz JZAXRMIOFXSNKJ-NOZJJQNGSA-N 0 3 259.296 2.013 10 0 CEAEHN CC(C)CCCOCCn1cc(CNCC(C)C)nn1 ZINC000052630282 519642790 /nfs/dbraw/zinc/64/27/90/519642790.db2.gz GKSYVHPKYCFFRN-UHFFFAOYSA-N 0 3 282.432 2.477 10 0 CEAEHN CCCNCc1ccccc1OCCC(=O)OC ZINC000069316887 519956927 /nfs/dbraw/zinc/95/69/27/519956927.db2.gz UOVVUYWVYUGKIM-UHFFFAOYSA-N 0 3 251.326 2.128 10 0 CEAEHN CCCNCc1ccoc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000052380292 519959046 /nfs/dbraw/zinc/95/90/46/519959046.db2.gz OFSFYJHELDVIDD-STQMWFEESA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1cc(CN(CCOC)[C@H](C)COC)c(C)o1 ZINC000052572446 519988659 /nfs/dbraw/zinc/98/86/59/519988659.db2.gz UYWSSUCZBYEBMS-CYBMUJFWSA-N 0 3 298.427 2.181 10 0 CEAEHN CCNCc1cc(CN2C[C@@H](C)C[C@H](C)C2)on1 ZINC000052420674 519991248 /nfs/dbraw/zinc/99/12/48/519991248.db2.gz OBYVVNIZZCULTQ-RYUDHWBXSA-N 0 3 251.374 2.262 10 0 CEAEHN CCNCc1cc(CN2C[C@H](C)O[C@@H](C)C2)c(C)o1 ZINC000052380845 519990437 /nfs/dbraw/zinc/99/04/37/519990437.db2.gz RUHACQAGJRSBLR-RYUDHWBXSA-N 0 3 266.385 2.307 10 0 CEAEHN CCNCc1ccnc(Cc2cccc(OC)c2)n1 ZINC000054791385 520009697 /nfs/dbraw/zinc/00/96/97/520009697.db2.gz WMMZLHJRDMQEES-UHFFFAOYSA-N 0 3 257.337 2.186 10 0 CEAEHN CCNCc1oc(CN(C)[C@H](C)COC)cc1C ZINC000052512032 520028107 /nfs/dbraw/zinc/02/81/07/520028107.db2.gz DEXXETLVJCAYRU-GFCCVEGCSA-N 0 3 254.374 2.164 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OCC(=O)NC ZINC000062747475 520063446 /nfs/dbraw/zinc/06/34/46/520063446.db2.gz CNLSIOSXZJIJOO-SNVBAGLBSA-N 0 3 268.332 2.011 10 0 CEAEHN CCCN[C@H](CCN1CCC(CC)CC1)C(=O)OCC ZINC000062526325 520073989 /nfs/dbraw/zinc/07/39/89/520073989.db2.gz XTMOGLLECPTSIV-OAHLLOKOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@](CSc1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069186125 520158190 /nfs/dbraw/zinc/15/81/90/520158190.db2.gz UAASUCUEGCIVNF-OAHLLOKOSA-N 0 3 278.421 2.331 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCC(=O)N(C)CC ZINC000062747055 520178559 /nfs/dbraw/zinc/17/85/59/520178559.db2.gz YMRQOLKULBJUEU-LLVKDONJSA-N 0 3 282.359 2.353 10 0 CEAEHN CCN[C@H](CCOc1ccccc1[C@@H](C)CC)C(N)=O ZINC000062551014 520194089 /nfs/dbraw/zinc/19/40/89/520194089.db2.gz OOUSZRCTBGPGEC-GXTWGEPZSA-N 0 3 278.396 2.432 10 0 CEAEHN CCCCN(CC)C[C@](NCC)(C(=O)OC)C1CC1 ZINC000069090354 520479577 /nfs/dbraw/zinc/47/95/77/520479577.db2.gz DLCFZYRXXYECNL-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOC(=O)[C@@H](CCN1CCC(C)(C)CC1)NC(C)C ZINC000062532965 521058430 /nfs/dbraw/zinc/05/84/30/521058430.db2.gz GMJVDVMJRVVTGJ-CQSZACIVSA-N 0 3 284.444 2.428 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1cc(N)ccc1F ZINC000069428719 521301611 /nfs/dbraw/zinc/30/16/11/521301611.db2.gz HMTBXPXJWXXOIC-UHFFFAOYSA-N 0 3 267.348 2.467 10 0 CEAEHN CCCc1nc(N2CCOC(C)(C)C2)sc1CN ZINC000054997839 521532132 /nfs/dbraw/zinc/53/21/32/521532132.db2.gz YMLLDIRTCVUAIB-UHFFFAOYSA-N 0 3 269.414 2.170 10 0 CEAEHN CCCN(CC)C[C@@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069098158 521612331 /nfs/dbraw/zinc/61/23/31/521612331.db2.gz RCKDMXCQZJORHZ-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCN(CCN(C)C)Cc1csc(CNCC)n1 ZINC000052544090 521657867 /nfs/dbraw/zinc/65/78/67/521657867.db2.gz UQBFCIZYHGGHMD-UHFFFAOYSA-N 0 3 284.473 2.026 10 0 CEAEHN CCc1ccccc1[C@H](CN)N1CCOCC1(C)C ZINC000052203700 521952663 /nfs/dbraw/zinc/95/26/63/521952663.db2.gz PDHAPECFQVAMKW-HNNXBMFYSA-N 0 3 262.397 2.360 10 0 CEAEHN CNCc1cnc(N2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000054909098 522148046 /nfs/dbraw/zinc/14/80/46/522148046.db2.gz DCDQCPFUVSCGLI-RYUDHWBXSA-N 0 3 267.398 2.010 10 0 CEAEHN CNCc1sc(N2CCOC[C@@H]2C)nc1C(C)(C)C ZINC000054997339 522166328 /nfs/dbraw/zinc/16/63/28/522166328.db2.gz VNIFJQRXCRFAEX-JTQLQIEISA-N 0 3 283.441 2.385 10 0 CEAEHN C[C@H](CN[C@H](C)c1cccs1)CS(C)(=O)=O ZINC000182546948 534126511 /nfs/dbraw/zinc/12/65/11/534126511.db2.gz OXNREWWAFPPOOR-NXEZZACHSA-N 0 3 261.412 2.079 10 0 CEAEHN CCNCc1cnc(N2CCOC[C@H]2CC)c(Cl)c1 ZINC000051446848 517668901 /nfs/dbraw/zinc/66/89/01/517668901.db2.gz VGCWYADGRNIPPH-GFCCVEGCSA-N 0 3 283.803 2.460 10 0 CEAEHN C/C=C/COc1c(OC)cc(CNCCOC)cc1OC ZINC000062732854 518518570 /nfs/dbraw/zinc/51/85/70/518518570.db2.gz BTJNYTAIDVVANC-AATRIKPKSA-N 0 3 295.379 2.395 10 0 CEAEHN CC(C)(C)[C@@H]1CCCc2c(N3CCNCC3)n[nH]c21 ZINC000062670051 518942256 /nfs/dbraw/zinc/94/22/56/518942256.db2.gz VZVXDBGUQGBFJG-GFCCVEGCSA-N 0 3 262.401 2.285 10 0 CEAEHN CC(C)N1CCC(O)(c2ccc3c(c2)OCCO3)CC1 ZINC000055192534 519673631 /nfs/dbraw/zinc/67/36/31/519673631.db2.gz AKLIQVJBHYZFFL-UHFFFAOYSA-N 0 3 277.364 2.150 10 0 CEAEHN CC(C)N1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069147055 519683820 /nfs/dbraw/zinc/68/38/20/519683820.db2.gz DBBKEBOZIPTYBI-UHFFFAOYSA-N 0 3 280.441 2.010 10 0 CEAEHN CC(C)CN1CCN(c2ccc(CO)cc2F)CC1 ZINC000055080013 519728618 /nfs/dbraw/zinc/72/86/18/519728618.db2.gz JBPUVSRHIKJUQZ-UHFFFAOYSA-N 0 3 266.360 2.096 10 0 CEAEHN CC(C)N[C@@](C)(C[C@@H](C)Oc1cccc(F)c1)C(N)=O ZINC000068656697 519736685 /nfs/dbraw/zinc/73/66/85/519736685.db2.gz LIOPCUWXCVCMPH-ABAIWWIYSA-N 0 3 282.359 2.225 10 0 CEAEHN CC(C)N[C@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525128 519738214 /nfs/dbraw/zinc/73/82/14/519738214.db2.gz ULLBBFIDWVZLEX-JXQTWKCFSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)N[C@H](CC[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525128 519738216 /nfs/dbraw/zinc/73/82/16/519738216.db2.gz ULLBBFIDWVZLEX-JXQTWKCFSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)[NH2+][C@H](CCN(C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525128 519738217 /nfs/dbraw/zinc/73/82/17/519738217.db2.gz ULLBBFIDWVZLEX-JXQTWKCFSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)N[C@H](CCSc1ccc(F)c(F)c1)C(N)=O ZINC000062596904 519738448 /nfs/dbraw/zinc/73/84/48/519738448.db2.gz DEUDAYSJQPMJIV-GFCCVEGCSA-N 0 3 288.363 2.299 10 0 CEAEHN CC(C)[NH2+][C@](C)(C[C@H](C)N(CC1CC1)C1CC1)C(=O)[O-] ZINC000068648347 519740274 /nfs/dbraw/zinc/74/02/74/519740274.db2.gz JOEULPCRHBEOIH-BLLLJJGKSA-N 0 3 282.428 2.481 10 0 CEAEHN CC(C)N[C@](C)(C[C@H](C)[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648347 519740275 /nfs/dbraw/zinc/74/02/75/519740275.db2.gz JOEULPCRHBEOIH-BLLLJJGKSA-N 0 3 282.428 2.481 10 0 CEAEHN CC(C)N[C@](C)(C[C@H](C)[N@@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648347 519740276 /nfs/dbraw/zinc/74/02/76/519740276.db2.gz JOEULPCRHBEOIH-BLLLJJGKSA-N 0 3 282.428 2.481 10 0 CEAEHN CC(C)[C@H](CN(C)C)N[C@@H](c1ccco1)c1nccn1C ZINC000049198434 519814859 /nfs/dbraw/zinc/81/48/59/519814859.db2.gz KOLSFXXTTVXLOA-ZFWWWQNUSA-N 0 3 290.411 2.278 10 0 CEAEHN CCCN1CCC(O)(c2cc(OC)ccc2OC)CC1 ZINC000055234372 519847839 /nfs/dbraw/zinc/84/78/39/519847839.db2.gz DPTSQIHAABBWEK-UHFFFAOYSA-N 0 3 279.380 2.397 10 0 CEAEHN CCC1CCC(N[C@@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000049118549 519856965 /nfs/dbraw/zinc/85/69/65/519856965.db2.gz SEPXXLMRILSSSM-WXRRBKDZSA-N 0 3 266.385 2.081 10 0 CEAEHN CCCNC(=O)[C@H](C)NCc1ccc(CC)s1 ZINC000049203947 519892400 /nfs/dbraw/zinc/89/24/00/519892400.db2.gz MFPPQOFLLJGTQG-JTQLQIEISA-N 0 3 254.399 2.315 10 0 CEAEHN CCCNCc1occc1CN(CC)CCOC ZINC000052542692 519972996 /nfs/dbraw/zinc/97/29/96/519972996.db2.gz GBSBOLMVENDHOU-UHFFFAOYSA-N 0 3 254.374 2.248 10 0 CEAEHN CCNCc1c(C)nn(C[C@H]2CCCCO2)c1C ZINC000054717398 519985493 /nfs/dbraw/zinc/98/54/93/519985493.db2.gz ZFHSPYDJVOPPQS-CYBMUJFWSA-N 0 3 251.374 2.179 10 0 CEAEHN CCNCc1cccc(OC)c1OC[C@@H](O)C(F)(F)F ZINC000068876610 520006963 /nfs/dbraw/zinc/00/69/63/520006963.db2.gz XIJAOGJGZZLIBR-LLVKDONJSA-N 0 3 293.285 2.107 10 0 CEAEHN CCNCc1cnc(N2C[C@H](C)OC[C@H]2CC)s1 ZINC000054908774 520017453 /nfs/dbraw/zinc/01/74/53/520017453.db2.gz OCFJWISHHRJBCW-WDEREUQCSA-N 0 3 269.414 2.256 10 0 CEAEHN CCNCc1nc(C(C)C)ncc1-n1ccc(C)n1 ZINC000052885185 520021941 /nfs/dbraw/zinc/02/19/41/520021941.db2.gz LCEGZTAOZJNMNV-UHFFFAOYSA-N 0 3 259.357 2.204 10 0 CEAEHN CCCN[C@@H]1COc2cc(O[C@H](C)C(=O)OCC)ccc21 ZINC000062805035 520030068 /nfs/dbraw/zinc/03/00/68/520030068.db2.gz QAOMEGRHACXXFD-BXUZGUMPSA-N 0 3 293.363 2.450 10 0 CEAEHN CCCN[C@H]1COc2cc(OCc3nnc(C)o3)ccc21 ZINC000062805060 520097293 /nfs/dbraw/zinc/09/72/93/520097293.db2.gz QOWXCVIJEGYIPL-ZDUSSCGKSA-N 0 3 289.335 2.390 10 0 CEAEHN CCCN[C@H]1COc2cc(OCCCC(=O)NC)ccc21 ZINC000068817029 520097863 /nfs/dbraw/zinc/09/78/63/520097863.db2.gz GMNCJZSPERXJLF-AWEZNQCLSA-N 0 3 292.379 2.025 10 0 CEAEHN CCN(C(=O)c1cc[nH]c(=NN)c1)c1ccccc1C ZINC000051088818 520110397 /nfs/dbraw/zinc/11/03/97/520110397.db2.gz SESSPFLZZHQNNE-UHFFFAOYSA-N 0 3 270.336 2.342 10 0 CEAEHN CCC[NH2+][C@](C)(C[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000068620371 520112517 /nfs/dbraw/zinc/11/25/17/520112517.db2.gz SEKPGRBXDUAMDF-TZMCWYRMSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCNc1ccc(C(=O)NC[C@H](C)N(C)C)cc1C ZINC000063057777 520149153 /nfs/dbraw/zinc/14/91/53/520149153.db2.gz POAKXWXIVRUGPV-ZDUSSCGKSA-N 0 3 277.412 2.497 10 0 CEAEHN CCN[C@@](CN(CC)c1ccccc1C)(C(N)=O)C1CC1 ZINC000069089931 520151983 /nfs/dbraw/zinc/15/19/83/520151983.db2.gz XFTNEEAFGBRCFJ-QGZVFWFLSA-N 0 3 289.423 2.065 10 0 CEAEHN CCCNc1ccc(C)cc1C(=O)NCCN(C)C ZINC000053000218 520154193 /nfs/dbraw/zinc/15/41/93/520154193.db2.gz XEYCJZMFIXZLON-UHFFFAOYSA-N 0 3 263.385 2.108 10 0 CEAEHN CCN[C@@](CSc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069188609 520157817 /nfs/dbraw/zinc/15/78/17/520157817.db2.gz DDPTYLAFLPSPQV-OAHLLOKOSA-N 0 3 278.421 2.331 10 0 CEAEHN CCN[C@@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185551 520159055 /nfs/dbraw/zinc/15/90/55/520159055.db2.gz ONWQRFIIUYAOLQ-CQSZACIVSA-N 0 3 264.394 2.022 10 0 CEAEHN CCCNc1ccc(Cl)cc1C(=O)NCCN(C)C ZINC000050725977 520163606 /nfs/dbraw/zinc/16/36/06/520163606.db2.gz QZIPPXZRWLKVMC-UHFFFAOYSA-N 0 3 283.803 2.453 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OC[C@H](O)COCC ZINC000069276107 520178013 /nfs/dbraw/zinc/17/80/13/520178013.db2.gz KDPPCBAOLCSYGO-DGCLKSJQSA-N 0 3 285.359 2.272 10 0 CEAEHN CCN[C@H](Cc1ccc(OC)cc1)c1cnccn1 ZINC000069499714 520202195 /nfs/dbraw/zinc/20/21/95/520202195.db2.gz RXJXKSQTPVBGRN-CQSZACIVSA-N 0 3 257.337 2.379 10 0 CEAEHN CCN[C@H](c1cc(OC)c(OC)cc1C)[C@H]1COCCO1 ZINC000055300919 520205515 /nfs/dbraw/zinc/20/55/15/520205515.db2.gz SHLSKPXPAUPKJR-HZPDHXFCSA-N 0 3 295.379 2.078 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1ccc2c(c1)CCC2)C(N)=O ZINC000068654508 520239444 /nfs/dbraw/zinc/23/94/44/520239444.db2.gz JZYJPYUZKXMOJR-YVEFUNNKSA-N 0 3 290.407 2.186 10 0 CEAEHN CCNc1cc(C(=O)N(CCN(C)C)CC(C)C)ccn1 ZINC000050774395 520258351 /nfs/dbraw/zinc/25/83/51/520258351.db2.gz MVJQVQAPYQMCDB-UHFFFAOYSA-N 0 3 292.427 2.173 10 0 CEAEHN CC1(C)CC(=O)N(c2ccc3c(c2)CNCC3)C(=O)C1 ZINC000069052876 520274190 /nfs/dbraw/zinc/27/41/90/520274190.db2.gz DWLLCLUKFYLPDB-UHFFFAOYSA-N 0 3 272.348 2.012 10 0 CEAEHN CCCCC[C@@H](C)NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631380 520286675 /nfs/dbraw/zinc/28/66/75/520286675.db2.gz UYVATGCBLMEKBJ-OLZOCXBDSA-N 0 3 276.446 2.017 10 0 CEAEHN CCNc1ccc(C(=O)N[C@H](CN(C)C)C(C)C)cc1 ZINC000050779757 520294413 /nfs/dbraw/zinc/29/44/13/520294413.db2.gz VILMQXHYOPDPCQ-OAHLLOKOSA-N 0 3 277.412 2.434 10 0 CEAEHN CC1(C)CCN(CC(=O)Nc2ccccc2CN)CC1 ZINC000061818769 520377023 /nfs/dbraw/zinc/37/70/23/520377023.db2.gz LMHPHDJFPLVAHC-UHFFFAOYSA-N 0 3 275.396 2.206 10 0 CEAEHN CCCOc1ccc(OCCNCCOC)cc1 ZINC000049633190 520408766 /nfs/dbraw/zinc/40/87/66/520408766.db2.gz HZKXYLUGDDWGRP-UHFFFAOYSA-N 0 3 253.342 2.090 10 0 CEAEHN CCCOc1nc(Cl)nc(OCCN(CC)CC)n1 ZINC000061521872 520495847 /nfs/dbraw/zinc/49/58/47/520495847.db2.gz KBVLAHQSBVBIAV-UHFFFAOYSA-N 0 3 288.779 2.034 10 0 CEAEHN CCOC(=O)CCCNCC(=O)Nc1c(C)cccc1C ZINC000070270229 520658466 /nfs/dbraw/zinc/65/84/66/520658466.db2.gz AUTMKDAGLBIYIW-UHFFFAOYSA-N 0 3 292.379 2.175 10 0 CEAEHN CCC[C@@H](NC(=O)[C@@H](N)CCOC)c1cccs1 ZINC000052810141 520745418 /nfs/dbraw/zinc/74/54/18/520745418.db2.gz AMGZCJJUIKUOCX-WDEREUQCSA-N 0 3 270.398 2.069 10 0 CEAEHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1cc(N)ccc1F ZINC000069237157 520964125 /nfs/dbraw/zinc/96/41/25/520964125.db2.gz ATJFVAJISQVACO-JTQLQIEISA-N 0 3 279.359 2.467 10 0 CEAEHN CCC[C@](C)(N)C(=O)Nc1ccc(OC)c(C)c1 ZINC000049531965 521278574 /nfs/dbraw/zinc/27/85/74/521278574.db2.gz BYZJIVIPWNCPQH-AWEZNQCLSA-N 0 3 250.342 2.460 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)OC[C@H]2N ZINC000062803857 521335008 /nfs/dbraw/zinc/33/50/08/521335008.db2.gz HCLIVKIOZHKUGR-ZWNOBZJWSA-N 0 3 292.379 2.151 10 0 CEAEHN CCCc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1 ZINC000062669888 521385606 /nfs/dbraw/zinc/38/56/06/521385606.db2.gz XKORYXYRJJHBKC-UHFFFAOYSA-N 0 3 270.380 2.439 10 0 CEAEHN CCC(CC)N(CCO)Cc1nc(NN)ccc1Cl ZINC000061638485 521553465 /nfs/dbraw/zinc/55/34/65/521553465.db2.gz DLPRDGBEEFJYPG-UHFFFAOYSA-N 0 3 286.807 2.004 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2cccc3c2CCCN3)C1 ZINC000061412285 521648607 /nfs/dbraw/zinc/64/86/07/521648607.db2.gz MFPLGSQPPIUXRW-ZDUSSCGKSA-N 0 3 287.407 2.259 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)NCC ZINC000062747026 521745670 /nfs/dbraw/zinc/74/56/70/521745670.db2.gz QLQKCXONWDSHEG-QWRGUYRKSA-N 0 3 282.359 2.400 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)NC ZINC000062746499 521745696 /nfs/dbraw/zinc/74/56/96/521745696.db2.gz LNDARSYSDOQGKP-ZJUUUORDSA-N 0 3 268.332 2.010 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccco1)c1ccccc1 ZINC000052554673 521824077 /nfs/dbraw/zinc/82/40/77/521824077.db2.gz UGZILJGDFSQKPG-CYBMUJFWSA-N 0 3 258.321 2.312 10 0 CEAEHN CC[C@@H](C(=O)N1[C@H](C)CNC[C@@H]1C)c1ccccc1 ZINC000069132832 521829315 /nfs/dbraw/zinc/82/93/15/521829315.db2.gz YQJHKCNZDMCFDB-VNHYZAJKSA-N 0 3 260.381 2.389 10 0 CEAEHN COC(=O)c1cc(CNC[C@H](C)CSC)oc1C ZINC000069440071 521856549 /nfs/dbraw/zinc/85/65/49/521856549.db2.gz WACAYHKRDGYFBL-VIFPVBQESA-N 0 3 271.382 2.463 10 0 CEAEHN CN(C)C[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000061644143 521872198 /nfs/dbraw/zinc/87/21/98/521872198.db2.gz BBJCUUDLXRCONQ-GFCCVEGCSA-N 0 3 253.777 2.261 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1nc2c(s1)[C@H](O)CCC2 ZINC000061655538 521877070 /nfs/dbraw/zinc/87/70/70/521877070.db2.gz FDBRUMFKHKJSQP-ZYHUDNBSSA-N 0 3 281.425 2.043 10 0 CEAEHN CNCc1c(C)nc(Cc2csc(C)n2)nc1C ZINC000055296954 522100881 /nfs/dbraw/zinc/10/08/81/522100881.db2.gz OQZPNHKQZHDDCK-UHFFFAOYSA-N 0 3 262.382 2.169 10 0 CEAEHN CNCc1cc(C)nc(-c2ccc(OC)c(OC)c2)n1 ZINC000054830856 522104049 /nfs/dbraw/zinc/10/40/49/522104049.db2.gz DFSKWPQCFBDKCC-UHFFFAOYSA-N 0 3 273.336 2.189 10 0 CEAEHN CNCc1cc(OC)ccc1OCCOC(C)C ZINC000049258927 522114739 /nfs/dbraw/zinc/11/47/39/522114739.db2.gz DFAIVYAWTZENNO-UHFFFAOYSA-N 0 3 253.342 2.218 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccc(OC)cc1C ZINC000061568243 522228467 /nfs/dbraw/zinc/22/84/67/522228467.db2.gz UTGSRTHAVCCLLC-LLVKDONJSA-N 0 3 250.342 2.330 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OC[C@@H](O)C(F)(F)F ZINC000068877977 522333654 /nfs/dbraw/zinc/33/36/54/522333654.db2.gz FISPPVBKMPFHDI-WRWORJQWSA-N 0 3 281.249 2.408 10 0 CEAEHN CN[C@@H](c1cc(OC)c(OC)cc1F)[C@@H]1CCCO1 ZINC000061561239 522368384 /nfs/dbraw/zinc/36/83/84/522368384.db2.gz QKXZIAYNKBKGKA-FZMZJTMJSA-N 0 3 269.316 2.282 10 0 CEAEHN CCc1nc(N(C)CC(F)(F)F)sc1CN ZINC000054998057 522379094 /nfs/dbraw/zinc/37/90/94/522379094.db2.gz RMEUUMRPJQSVFC-UHFFFAOYSA-N 0 3 253.293 2.163 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052395774 522437306 /nfs/dbraw/zinc/43/73/06/522437306.db2.gz YELWSYZFQKTWDN-JDDJGOSBSA-N 0 3 264.413 2.315 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000052395829 522438989 /nfs/dbraw/zinc/43/89/89/522438989.db2.gz UKFXIZLTYOFSJF-GFCCVEGCSA-N 0 3 261.369 2.142 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@@H]1CCC[C@@H]1O ZINC000062746343 522446925 /nfs/dbraw/zinc/44/69/25/522446925.db2.gz BTPZVXMOAITPIT-JIMOISOXSA-N 0 3 253.317 2.398 10 0 CEAEHN CN[C@H](C)c1cnc(N(C)CC(F)(F)F)s1 ZINC000054905082 522454044 /nfs/dbraw/zinc/45/40/44/522454044.db2.gz BNHAOFMSIHADAU-ZCFIWIBFSA-N 0 3 253.293 2.422 10 0 CEAEHN CN[C@H](CN1C(=O)[C@@H]2C[C@@H]2C1=O)c1ccc(C(C)C)cc1 ZINC000068689302 522466971 /nfs/dbraw/zinc/46/69/71/522466971.db2.gz MHCPATUPRJQZLR-QLFBSQMISA-N 0 3 286.375 2.075 10 0 CEAEHN CN[C@H](c1cc(OC)c(OC)cc1F)[C@@H]1CCCO1 ZINC000061561241 522476731 /nfs/dbraw/zinc/47/67/31/522476731.db2.gz QKXZIAYNKBKGKA-SMDDNHRTSA-N 0 3 269.316 2.282 10 0 CEAEHN CN[C@H](c1ccc(Br)s1)[C@@H]1COCCO1 ZINC000055301040 522479605 /nfs/dbraw/zinc/47/96/05/522479605.db2.gz WOVVRBLFDOLCEF-XVKPBYJWSA-N 0 3 292.198 2.187 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCC(=O)N2)[C@H]1CCCCO1 ZINC000050961526 522482630 /nfs/dbraw/zinc/48/26/30/522482630.db2.gz VRWQWOAZMHIHCM-GDBMZVCRSA-N 0 3 274.364 2.401 10 0 CEAEHN CCc1nc2cc(N)ccc2n1[C@@H]1CN2CCC1CC2 ZINC000052842684 522485720 /nfs/dbraw/zinc/48/57/20/522485720.db2.gz IZFJXBUYNZPIAO-OAHLLOKOSA-N 0 3 270.380 2.448 10 0 CEAEHN CN[C@](C)(C[C@@H](C)Oc1ccc2ccccc2c1)C(N)=O ZINC000068656939 522519756 /nfs/dbraw/zinc/51/97/56/522519756.db2.gz ZTIGISFGFIGBRH-SJKOYZFVSA-N 0 3 286.375 2.461 10 0 CEAEHN CNc1ccc(C(=O)N[C@@H](CN(C)C)C(C)C)cc1 ZINC000050779753 522593810 /nfs/dbraw/zinc/59/38/10/522593810.db2.gz BDWRXWGTTVWCOR-AWEZNQCLSA-N 0 3 263.385 2.044 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N(C)C1CCN(C)CC1 ZINC000053000378 522601791 /nfs/dbraw/zinc/60/17/91/522601791.db2.gz SIYPVIDBPSYLJT-UHFFFAOYSA-N 0 3 275.396 2.203 10 0 CEAEHN COc1cc(OC)cc(O[C@@H](CN)c2ccco2)c1 ZINC000068793461 522874712 /nfs/dbraw/zinc/87/47/12/522874712.db2.gz QGFOCMYPJMIVPH-AWEZNQCLSA-N 0 3 263.293 2.376 10 0 CEAEHN COc1cc(OC)cc([C@@H](O)[C@H](N)c2ccccc2)c1 ZINC000054681818 522877230 /nfs/dbraw/zinc/87/72/30/522877230.db2.gz AVBZXLDRMBRELQ-HZPDHXFCSA-N 0 3 273.332 2.437 10 0 CEAEHN CC[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069143106 522947965 /nfs/dbraw/zinc/94/79/65/522947965.db2.gz RSLNJTSWMFKNQP-GXTWGEPZSA-N 0 3 283.393 2.010 10 0 CEAEHN COC(=O)CCOc1c(CNC(C)C)cccc1OC ZINC000069317162 523102983 /nfs/dbraw/zinc/10/29/83/523102983.db2.gz HSMSVNVZLVRGOI-UHFFFAOYSA-N 0 3 281.352 2.135 10 0 CEAEHN CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1CN ZINC000049120931 523198012 /nfs/dbraw/zinc/19/80/12/523198012.db2.gz VGETWBHGNVPSIQ-OCCSQVGLSA-N 0 3 296.436 2.392 10 0 CEAEHN COCCCN(C)[C@@H](CN)c1cc2ccccc2o1 ZINC000068811973 523232054 /nfs/dbraw/zinc/23/20/54/523232054.db2.gz BMPXWVDGEHRMHM-ZDUSSCGKSA-N 0 3 262.353 2.401 10 0 CEAEHN CC[C@@H]1CCCN(Cc2cccnc2C(N)=S)C1 ZINC000061659752 523252838 /nfs/dbraw/zinc/25/28/38/523252838.db2.gz DPJFGDVNLGAQCB-LLVKDONJSA-N 0 3 263.410 2.338 10 0 CEAEHN CN(Cc1ccc(F)cc1)Cc1cccnc1CN ZINC000061656588 523252880 /nfs/dbraw/zinc/25/28/80/523252880.db2.gz ZKCFYVHEIGRWNI-UHFFFAOYSA-N 0 3 259.328 2.311 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1ccccc1CNCCOC ZINC000062736916 523346119 /nfs/dbraw/zinc/34/61/19/523346119.db2.gz NELZEVQCTAYROB-HOCLYGCPSA-N 0 3 292.423 2.426 10 0 CEAEHN CC[C@@H]1CN([C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CCO1 ZINC000054558253 523467436 /nfs/dbraw/zinc/46/74/36/523467436.db2.gz NECOGBMYIPXBOV-TUVASFSCSA-N 0 3 255.402 2.283 10 0 CEAEHN CC[C@@H]1CN(c2nc(C)c(CNC3CC3)s2)CCO1 ZINC000054997392 523472338 /nfs/dbraw/zinc/47/23/38/523472338.db2.gz BZOGZOYDYOVOCY-GFCCVEGCSA-N 0 3 281.425 2.319 10 0 CEAEHN CC[C@@H]1COCCN1c1ncc(CNC(C)C)s1 ZINC000054904669 523504330 /nfs/dbraw/zinc/50/43/30/523504330.db2.gz XYLGURBTRZFZGO-LLVKDONJSA-N 0 3 269.414 2.256 10 0 CEAEHN COCCN(C)CCNC1=N[C@@]2(CS1)CCC[C@@H](C)C2 ZINC000061380060 523601004 /nfs/dbraw/zinc/60/10/04/523601004.db2.gz PKDDFLZEWSHGSS-HIFRSBDPSA-N 0 3 299.484 2.206 10 0 CEAEHN COCCN(Cc1cc(C)c(CN)o1)CC(C)C ZINC000052508595 523741042 /nfs/dbraw/zinc/74/10/42/523741042.db2.gz JAKZQKIGHNDLRJ-UHFFFAOYSA-N 0 3 254.374 2.151 10 0 CEAEHN COCCN(c1nc2c(s1)[C@H](N)CCC2)C1CC1 ZINC000054897544 523784109 /nfs/dbraw/zinc/78/41/09/523784109.db2.gz BRAYVEUZLWHDJU-SNVBAGLBSA-N 0 3 267.398 2.094 10 0 CEAEHN CN1CCCN(c2cc(Cl)ccc2C(N)=S)CC1 ZINC000062788000 523811777 /nfs/dbraw/zinc/81/17/77/523811777.db2.gz QHZLUUMFCYPOET-UHFFFAOYSA-N 0 3 283.828 2.116 10 0 CEAEHN CN1CCCN(c2ccc(Cl)cc2C(N)=S)CC1 ZINC000052857961 523813203 /nfs/dbraw/zinc/81/32/03/523813203.db2.gz HSMHRXKGPRZWNO-UHFFFAOYSA-N 0 3 283.828 2.116 10 0 CEAEHN CN1CCC[C@@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052905565 523816625 /nfs/dbraw/zinc/81/66/25/523816625.db2.gz LQUXXCGESPUSMT-SECBINFHSA-N 0 3 283.828 2.480 10 0 CEAEHN COc1ccc(C=O)cc1CN1CCC[C@H]1CN(C)C ZINC000061645693 523885764 /nfs/dbraw/zinc/88/57/64/523885764.db2.gz YHEBHHZZCKPLHU-HNNXBMFYSA-N 0 3 276.380 2.034 10 0 CEAEHN CN1CCN(c2nc(C3CC3)c(CN)s2)CC1(C)C ZINC000069182980 523927850 /nfs/dbraw/zinc/92/78/50/523927850.db2.gz UNIGCHOJJSEYCM-UHFFFAOYSA-N 0 3 280.441 2.010 10 0 CEAEHN COCCNC[C@@](C)(O)c1ccccc1C(F)(F)F ZINC000055033601 523942307 /nfs/dbraw/zinc/94/23/07/523942307.db2.gz MYMAABRGQJYACL-GFCCVEGCSA-N 0 3 277.286 2.149 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000055068937 523955668 /nfs/dbraw/zinc/95/56/68/523955668.db2.gz AYPCHAFNXCBDRO-DOTOQJQBSA-N 0 3 276.424 2.310 10 0 CEAEHN CN1CC[C@H](n2c3ccc(N)cc3nc2C2CC2)C1 ZINC000052854687 523990105 /nfs/dbraw/zinc/99/01/05/523990105.db2.gz RESHSLULGDEVNA-LBPRGKRZSA-N 0 3 256.353 2.373 10 0 CEAEHN CN1c2ccc([C@H](N)[C@H]3CCCCO3)cc2CCC1=O ZINC000062806389 524033221 /nfs/dbraw/zinc/03/32/21/524033221.db2.gz CGOYSVUSKPCIML-ZBFHGGJFSA-N 0 3 274.364 2.165 10 0 CEAEHN CCc1cccc(C)c1NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049630610 524066101 /nfs/dbraw/zinc/06/61/01/524066101.db2.gz CNABMAIAUIHODS-AWEZNQCLSA-N 0 3 296.436 2.441 10 0 CEAEHN Cc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)no1 ZINC000052555206 524146786 /nfs/dbraw/zinc/14/67/86/524146786.db2.gz IKFNZMRCEWGJJK-CQSZACIVSA-N 0 3 273.336 2.016 10 0 CEAEHN COc1ccc(C[C@H](N)c2cncc(F)c2)cc1OC ZINC000049576455 524155987 /nfs/dbraw/zinc/15/59/87/524155987.db2.gz HBPHSBPTYRKVSM-ZDUSSCGKSA-N 0 3 276.311 2.480 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1ccc(N)cc1Cl ZINC000049149114 524316245 /nfs/dbraw/zinc/31/62/45/524316245.db2.gz NSJHGEPWSGBZRV-SNVBAGLBSA-N 0 3 281.787 2.136 10 0 CEAEHN COc1ccccc1CN(C)Cc1occc1CN ZINC000052542259 524437628 /nfs/dbraw/zinc/43/76/28/524437628.db2.gz TUAVVXCLFODOIB-UHFFFAOYSA-N 0 3 260.337 2.379 10 0 CEAEHN Cc1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000061610907 524548221 /nfs/dbraw/zinc/54/82/21/524548221.db2.gz GSUSZWRYVZKIKU-MRXNPFEDSA-N 0 3 268.360 2.354 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1ccc(Cl)c(N)c1 ZINC000049149105 524589975 /nfs/dbraw/zinc/58/99/75/524589975.db2.gz KNIKPIBCPVPGKA-JTQLQIEISA-N 0 3 281.787 2.136 10 0 CEAEHN Cc1cccc(O[C@H](C)C[C@](C)(NC(C)C)C(N)=O)c1 ZINC000068656271 524782343 /nfs/dbraw/zinc/78/23/43/524782343.db2.gz KEMNMKAZSNHBRD-CJNGLKHVSA-N 0 3 278.396 2.394 10 0 CEAEHN Cc1cccc(SCC[C@@H](NC2CC2)C(N)=O)c1 ZINC000062601500 524808820 /nfs/dbraw/zinc/80/88/20/524808820.db2.gz CGXDXILAHISFLY-CYBMUJFWSA-N 0 3 264.394 2.083 10 0 CEAEHN C[C@H](N)c1cc(Cl)ccc1OCCC(=O)N(C)C ZINC000050209440 524861076 /nfs/dbraw/zinc/86/10/76/524861076.db2.gz IYEODRABFGLVLJ-VIFPVBQESA-N 0 3 270.760 2.217 10 0 CEAEHN Cc1cccc([C@H](C)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000069140684 524878196 /nfs/dbraw/zinc/87/81/96/524878196.db2.gz QOWHXRCMOXUBCR-JSGCOSHPSA-N 0 3 267.394 2.223 10 0 CEAEHN Cc1ccc(N(C)S(=O)(=O)C[C@H]2CCCCN2)c(C)c1 ZINC000049974657 524887822 /nfs/dbraw/zinc/88/78/22/524887822.db2.gz MBFHVEKGBAGYQK-CQSZACIVSA-N 0 3 296.436 2.212 10 0 CEAEHN COc1ccc(OCC(=O)N(C)C)c(CNC(C)(C)C)c1 ZINC000062727512 524927901 /nfs/dbraw/zinc/92/79/01/524927901.db2.gz BLSHIFJGEQFRTC-UHFFFAOYSA-N 0 3 294.395 2.050 10 0 CEAEHN C[C@@H]1CN(Cc2oc3ccccc3c2CN)CCO1 ZINC000052382566 525039626 /nfs/dbraw/zinc/03/96/26/525039626.db2.gz RNTIQMRIHKVWFS-LLVKDONJSA-N 0 3 260.337 2.112 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc3cccnc32)CCCO1 ZINC000069502774 525055413 /nfs/dbraw/zinc/05/54/13/525055413.db2.gz HUKPADJOLQIHEY-CJNGLKHVSA-N 0 3 285.391 2.345 10 0 CEAEHN C[C@@H]1COCCN1Cc1cc(CNC(C)(C)C)co1 ZINC000052475986 525128090 /nfs/dbraw/zinc/12/80/90/525128090.db2.gz KCACZDWFYURFSH-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN Cc1cc(N[C@H](C)CN2CCCC2)nc(Cl)n1 ZINC000052814618 525300671 /nfs/dbraw/zinc/30/06/71/525300671.db2.gz JHIRNNRVTQACJH-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN C[C@H](NCC(=O)Nc1cc(F)ccc1F)[C@H]1CCCO1 ZINC000183089805 525308448 /nfs/dbraw/zinc/30/84/48/525308448.db2.gz GNEHCNKQQWBMML-TVQRCGJNSA-N 0 3 284.306 2.060 10 0 CEAEHN Cc1ccc(OC[C@@](NC(C)C)(C(N)=O)C2CC2)cc1C ZINC000069197333 525434048 /nfs/dbraw/zinc/43/40/48/525434048.db2.gz FMVRWOYTMUMDLP-KRWDZBQOSA-N 0 3 290.407 2.314 10 0 CEAEHN C[C@@H](NS(=O)(=O)c1ccccc1CN)C1CCCCC1 ZINC000052341342 525580238 /nfs/dbraw/zinc/58/02/38/525580238.db2.gz SCVCCCRMVDVCEM-GFCCVEGCSA-N 0 3 296.436 2.392 10 0 CEAEHN COc1ccc2cc([C@H]3[C@@H](N)CC(=O)N3C)ccc2c1 ZINC000070292014 525640881 /nfs/dbraw/zinc/64/08/81/525640881.db2.gz JGQMZMMDQUBWNS-HOCLYGCPSA-N 0 3 270.332 2.079 10 0 CEAEHN Cc1ccc(-c2cc(N3CCNCC3)n[nH]2)c(C)c1 ZINC000062669920 525735020 /nfs/dbraw/zinc/73/50/20/525735020.db2.gz YERPNMKSSQZPEB-UHFFFAOYSA-N 0 3 256.353 2.103 10 0 CEAEHN Cc1c(N)cccc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000049500434 525819044 /nfs/dbraw/zinc/81/90/44/525819044.db2.gz NFBZHYKCEYTSRT-GFCCVEGCSA-N 0 3 275.396 2.181 10 0 CEAEHN Cc1ccc([C@H](N)c2ccc3c(c2)n(C)c(=O)n3C)s1 ZINC000051392337 525964131 /nfs/dbraw/zinc/96/41/31/525964131.db2.gz HRPDURSHGSHMMH-CQSZACIVSA-N 0 3 287.388 2.295 10 0 CEAEHN Cc1nn(Cc2cc(CN)co2)c(C)c1Br ZINC000052573656 526287397 /nfs/dbraw/zinc/28/73/97/526287397.db2.gz ZLUSCDBTMNAIGR-UHFFFAOYSA-N 0 3 284.157 2.362 10 0 CEAEHN c1ccc([C@@H]2CN=C(NC[C@H]3CCOC3)S2)cc1 ZINC000061147019 526493249 /nfs/dbraw/zinc/49/32/49/526493249.db2.gz PNXQXQKLZLLRDQ-YPMHNXCESA-N 0 3 262.378 2.457 10 0 CEAEHN c1ccc([C@@H]2CN=C(NC[C@@H]3CCOC3)S2)cc1 ZINC000061147017 526493737 /nfs/dbraw/zinc/49/37/37/526493737.db2.gz PNXQXQKLZLLRDQ-AAEUAGOBSA-N 0 3 262.378 2.457 10 0 CEAEHN Cc1oc(CN2CCO[C@H](C)C2)cc1CNC(C)C ZINC000052382364 526772004 /nfs/dbraw/zinc/77/20/04/526772004.db2.gz ZOCPDYFMRSNLEG-GFCCVEGCSA-N 0 3 266.385 2.307 10 0 CEAEHN N=C(N)c1ccc2ccc(Br)cc2n1 ZINC000062673082 526824039 /nfs/dbraw/zinc/82/40/39/526824039.db2.gz WQWZWDJMBQDLSK-UHFFFAOYSA-N 0 3 250.099 2.281 10 0 CEAEHN Cc1nc(Cc2ncc3c(n2)CCC[C@@H]3N)cs1 ZINC000055296586 526928692 /nfs/dbraw/zinc/92/86/92/526928692.db2.gz AJONPJDMKVKCKH-NSHDSACASA-N 0 3 260.366 2.168 10 0 CEAEHN NC(=O)[C@](CSc1ccc(F)cc1)(NC1CC1)C1CC1 ZINC000069186772 527015984 /nfs/dbraw/zinc/01/59/84/527015984.db2.gz TVIKGNHACNUJGR-OAHLLOKOSA-N 0 3 294.395 2.304 10 0 CEAEHN NC[C@](O)(c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000062784743 527242301 /nfs/dbraw/zinc/24/23/01/527242301.db2.gz MXXVQUXCYGRJFZ-QMMMGPOBSA-N 0 3 289.175 2.294 10 0 CEAEHN NCc1cc(Oc2ccc3c(c2)CCC(=O)N3)ccn1 ZINC000061811901 527250576 /nfs/dbraw/zinc/25/05/76/527250576.db2.gz MQLFWWQKZLGDOW-UHFFFAOYSA-N 0 3 269.304 2.217 10 0 CEAEHN NCc1cnc(Cc2ccccc2Br)nc1 ZINC000055336045 527262595 /nfs/dbraw/zinc/26/25/95/527262595.db2.gz OWPAWWHRKGZOPU-UHFFFAOYSA-N 0 3 278.153 2.289 10 0 CEAEHN NCc1ccoc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000052418209 527261655 /nfs/dbraw/zinc/26/16/55/527261655.db2.gz KWPHLMQYVRVUQX-UHFFFAOYSA-N 0 3 289.354 2.200 10 0 CEAEHN NCc1cnc2ccccc2c1N1CCC[C@H]1CCCO ZINC000052756747 527264180 /nfs/dbraw/zinc/26/41/80/527264180.db2.gz IGMFSAJBUZBTTI-AWEZNQCLSA-N 0 3 285.391 2.435 10 0 CEAEHN NCc1ncccc1COc1cc(F)cc(F)c1 ZINC000061657754 527265892 /nfs/dbraw/zinc/26/58/92/527265892.db2.gz RNBFJFZVDPXVDQ-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN N[C@@H](c1ccc2c(c1)CCO2)c1ccc2[nH]c(=O)oc2c1 ZINC000050892105 527338959 /nfs/dbraw/zinc/33/89/59/527338959.db2.gz JIIGDDVKEFVNPL-HNNXBMFYSA-N 0 3 282.299 2.104 10 0 CEAEHN N[C@H]1CC(=O)N(c2cc(Br)ccc2Cl)C1 ZINC000061692326 527393812 /nfs/dbraw/zinc/39/38/12/527393812.db2.gz HRVMUXWORXATFU-ZETCQYMHSA-N 0 3 289.560 2.167 10 0 CEAEHN N[C@H]1CCN(c2cc(Br)ccc2Cl)C1=O ZINC000061691689 527411187 /nfs/dbraw/zinc/41/11/87/527411187.db2.gz IIOAMJXMDWERRF-QMMMGPOBSA-N 0 3 289.560 2.167 10 0 CEAEHN Cc1nn(C)c(N(C)[C@@H]2CCSC2)c1CNCC(C)C ZINC000062735525 527670295 /nfs/dbraw/zinc/67/02/95/527670295.db2.gz JXQRTGWGEHOPSR-CYBMUJFWSA-N 0 3 296.484 2.416 10 0 CEAEHN Cc1nn(C)c(N2C[C@H](C)OC[C@@H]2C)c1CNC(C)(C)C ZINC000062735845 527676380 /nfs/dbraw/zinc/67/63/80/527676380.db2.gz VNJWSTXGEZLFFI-RYUDHWBXSA-N 0 3 294.443 2.230 10 0 CEAEHN Cc1nn(C)c(N2C[C@H](C)O[C@@H](C)C2)c1CNC(C)(C)C ZINC000062734259 527676682 /nfs/dbraw/zinc/67/66/82/527676682.db2.gz NOCOEJBTQVLZNU-RYUDHWBXSA-N 0 3 294.443 2.230 10 0 CEAEHN CCN1CC[C@@H](N[C@@H](C)c2ccc(Cl)cn2)C1 ZINC000414334097 527804919 /nfs/dbraw/zinc/80/49/19/527804919.db2.gz FZTWPCOTOZXQSN-CMPLNLGQSA-N 0 3 253.777 2.480 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000174233597 529053054 /nfs/dbraw/zinc/05/30/54/529053054.db2.gz KSRMWSUPDTWUMK-GXTWGEPZSA-N 0 3 279.428 2.443 10 0 CEAEHN CCN1CCC[C@@H](NCc2cncc(Br)c2)C1 ZINC000157876972 529056640 /nfs/dbraw/zinc/05/66/40/529056640.db2.gz DCVMCXFYXVWXRR-CYBMUJFWSA-N 0 3 298.228 2.418 10 0 CEAEHN CCc1cccc(CC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000178539344 529160487 /nfs/dbraw/zinc/16/04/87/529160487.db2.gz XBLADJCBCFCQQO-INIZCTEOSA-N 0 3 272.392 2.098 10 0 CEAEHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([O-])c(F)c1 ZINC000235649803 625688805 /nfs/dbraw/zinc/68/88/05/625688805.db2.gz JKNBCZDUPHTJFA-WCQYABFASA-N 0 3 264.344 2.200 10 0 CEAEHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([O-])c(F)c1 ZINC000235649803 625688808 /nfs/dbraw/zinc/68/88/08/625688808.db2.gz JKNBCZDUPHTJFA-WCQYABFASA-N 0 3 264.344 2.200 10 0 CEAEHN COc1cc2c(c(Br)c1)O[C@H](C)[C@@H]2N ZINC000163000022 627341049 /nfs/dbraw/zinc/34/10/49/627341049.db2.gz ZGOPPMBOSDZATQ-ANLVUFKYSA-N 0 3 258.115 2.238 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514934 631456623 /nfs/dbraw/zinc/45/66/23/631456623.db2.gz OJWQZTWLDDLZQH-CKUJCDMFSA-N 0 3 294.439 2.338 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514934 631456625 /nfs/dbraw/zinc/45/66/25/631456625.db2.gz OJWQZTWLDDLZQH-CKUJCDMFSA-N 0 3 294.439 2.338 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CC1)c1ccc2c(c1)CCCC2 ZINC000088130065 639942789 /nfs/dbraw/zinc/94/27/89/639942789.db2.gz DWSCWASRWGPYQB-LLVKDONJSA-N 0 3 258.365 2.234 10 0 CEAEHN Cc1nnsc1CN1CCCCC[C@H]1C[C@H](C)O ZINC000385275833 642169022 /nfs/dbraw/zinc/16/90/22/642169022.db2.gz HXBVWGLIXMZCHB-JQWIXIFHSA-N 0 3 269.414 2.362 10 0 CEAEHN Cc1nc(CN[C@H]2CCCC[C@@H]2CO)sc1C ZINC000125016564 649778188 /nfs/dbraw/zinc/77/81/88/649778188.db2.gz FBPPLSRFGAXFRN-NEPJUHHUSA-N 0 3 254.399 2.401 10 0 CEAEHN CCN1CCO[C@H](CNCc2cc(Cl)ccc2OC)C1 ZINC000134439131 652838664 /nfs/dbraw/zinc/83/86/64/652838664.db2.gz UEVGCCWBCNILEE-CQSZACIVSA-N 0 3 298.814 2.159 10 0 CEAEHN Cc1ccnc(N2CCN(Cc3ccccc3)C[C@H](O)C2)c1 ZINC000095525032 185003984 /nfs/dbraw/zinc/00/39/84/185003984.db2.gz UEGLEDPCAGEOKB-KRWDZBQOSA-N 0 3 297.402 2.073 10 0 CEAEHN CN(C)[C@H](CO)c1ccc(F)c(Br)c1 ZINC000095532652 185004635 /nfs/dbraw/zinc/00/46/35/185004635.db2.gz CTULQLDFYNQDKI-SNVBAGLBSA-N 0 3 262.122 2.183 10 0 CEAEHN CC[C@](C)(O)CN1CCN(Cc2ccccc2C)CC1 ZINC000187325680 529374368 /nfs/dbraw/zinc/37/43/68/529374368.db2.gz GXFHCOWMBVIGNE-KRWDZBQOSA-N 0 3 276.424 2.274 10 0 CEAEHN COc1cc(OC)c([C@@H](N)C2CCOCC2)cc1OC ZINC000095825109 185028760 /nfs/dbraw/zinc/02/87/60/185028760.db2.gz JFCIDMMKGOADKY-HNNXBMFYSA-N 0 3 281.352 2.139 10 0 CEAEHN CN(C)Cn1ccc2cc(Br)cnc21 ZINC000095937100 185034034 /nfs/dbraw/zinc/03/40/34/185034034.db2.gz DECHZASAHAQFBU-UHFFFAOYSA-N 0 3 254.131 2.318 10 0 CEAEHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccccc1N(C)C)CC2 ZINC000093944303 282117276 /nfs/dbraw/zinc/11/72/76/282117276.db2.gz JIWIPYBTWQMCHM-JSGCOSHPSA-N 0 3 299.422 2.318 10 0 CEAEHN C[C@H](CN[C@H]1CCCOc2ccccc21)N1CCOCC1 ZINC000123430379 365638157 /nfs/dbraw/zinc/63/81/57/365638157.db2.gz XLBUCKZGZPFKNA-ZBFHGGJFSA-N 0 3 290.407 2.211 10 0 CEAEHN COc1c(CNC[C@@]2(C)CCCS2)c(C)nn1C ZINC000124698337 365656441 /nfs/dbraw/zinc/65/64/41/365656441.db2.gz ZFYSNXOHEQWDMB-CYBMUJFWSA-N 0 3 269.414 2.112 10 0 CEAEHN CN[C@@](C)(C[C@H](C)[N@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000096818537 185116091 /nfs/dbraw/zinc/11/60/91/185116091.db2.gz HQFAWNLBUBYSFW-WFASDCNBSA-N 0 3 270.417 2.338 10 0 CEAEHN CN[C@@](C)(C[C@H](C)[N@@H+](CCC(C)C)C1CC1)C(=O)[O-] ZINC000096818537 185116093 /nfs/dbraw/zinc/11/60/93/185116093.db2.gz HQFAWNLBUBYSFW-WFASDCNBSA-N 0 3 270.417 2.338 10 0 CEAEHN C[NH2+][C@@](C)(C[C@H](C)N(CCC(C)C)C1CC1)C(=O)[O-] ZINC000096818537 185116094 /nfs/dbraw/zinc/11/60/94/185116094.db2.gz HQFAWNLBUBYSFW-WFASDCNBSA-N 0 3 270.417 2.338 10 0 CEAEHN C[C@@H]1CO[C@H](c2ccccc2Br)CN1 ZINC000036673406 361850243 /nfs/dbraw/zinc/85/02/43/361850243.db2.gz HIMIAVYXAVUXDB-KCJUWKMLSA-N 0 3 256.143 2.499 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000037006041 361881228 /nfs/dbraw/zinc/88/12/28/361881228.db2.gz NASKJLXLFKRHAU-LLVKDONJSA-N 0 3 284.743 2.193 10 0 CEAEHN Cc1cc(CN[C@H](C(N)=O)C(C)C)ccc1Br ZINC000072738113 539166022 /nfs/dbraw/zinc/16/60/22/539166022.db2.gz WNRIXMLQCHVZAA-LBPRGKRZSA-N 0 3 299.212 2.357 10 0 CEAEHN N[C@@H]1C[C@]12CNc1cc(Cl)c(Br)cc12 ZINC000725247193 539192345 /nfs/dbraw/zinc/19/23/45/539192345.db2.gz JZKHPJWYGMQCFK-NXEZZACHSA-N 0 3 273.561 2.497 10 0 CEAEHN N[C@@H]1C[C@@]12CNc1ccc(Br)c(Cl)c12 ZINC000725247692 539192527 /nfs/dbraw/zinc/19/25/27/539192527.db2.gz UVCTXCZXPHUPRR-GMSGAONNSA-N 0 3 273.561 2.497 10 0 CEAEHN CCN1C[C@]2(C[C@@H]2N)c2cc(Br)ccc21 ZINC000725247752 539192601 /nfs/dbraw/zinc/19/26/01/539192601.db2.gz XATMWTQASIIMGN-NWDGAFQWSA-N 0 3 267.170 2.258 10 0 CEAEHN COc1ccc(-c2ccc(CN)c(F)n2)cc1C=O ZINC000725242414 539190311 /nfs/dbraw/zinc/19/03/11/539190311.db2.gz ASGADOVYQLJUNI-UHFFFAOYSA-N 0 3 260.268 2.168 10 0 CEAEHN C[C@@H](c1cnn(CC2CCC2)c1)N1CC[C@H](CO)C1 ZINC000725264342 539212952 /nfs/dbraw/zinc/21/29/52/539212952.db2.gz HXRXJKPHYNCFRU-JSGCOSHPSA-N 0 3 263.385 2.058 10 0 CEAEHN CCC(CC)NC(=O)[C@H](C)N(C)C[C@@H]1CCCN1CC ZINC000177694413 282209029 /nfs/dbraw/zinc/20/90/29/282209029.db2.gz YMORMBHTAWFHSE-ZFWWWQNUSA-N 0 3 283.460 2.096 10 0 CEAEHN CCN1CCO[C@H](CNCc2sccc2Cl)C1 ZINC000310263040 539276358 /nfs/dbraw/zinc/27/63/58/539276358.db2.gz ZYEMYWXLGWVHQR-SNVBAGLBSA-N 0 3 274.817 2.212 10 0 CEAEHN CN(C)C[C@@H](NCC1=CCCOC1)c1ccccc1 ZINC000126299218 187230586 /nfs/dbraw/zinc/23/05/86/187230586.db2.gz QQDFQGCBOHMTTG-MRXNPFEDSA-N 0 3 260.381 2.226 10 0 CEAEHN O[C@@H]1CCN[C@@H](c2ccc(Br)cc2)C1 ZINC000041326351 362029706 /nfs/dbraw/zinc/02/97/06/362029706.db2.gz GRVIFCLXQLJTDN-GHMZBOCLSA-N 0 3 256.143 2.235 10 0 CEAEHN Cc1ncsc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000046745458 362185886 /nfs/dbraw/zinc/18/58/86/362185886.db2.gz PFLKMASGWVIEMQ-CYBMUJFWSA-N 0 3 289.404 2.484 10 0 CEAEHN COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(F)cc1 ZINC000033965864 343418521 /nfs/dbraw/zinc/41/85/21/343418521.db2.gz NTYATEQGMUSJQM-STQMWFEESA-N 0 3 251.301 2.034 10 0 CEAEHN Cn1ccc([C@H](N)Cc2sccc2Br)n1 ZINC000083573207 178582998 /nfs/dbraw/zinc/58/29/98/178582998.db2.gz QJQVOLBOAVOOAC-MRVPVSSYSA-N 0 3 286.198 2.487 10 0 CEAEHN COC(=O)c1csc(CN2CCN3CCCC[C@H]3C2)c1 ZINC000602450089 347037510 /nfs/dbraw/zinc/03/75/10/347037510.db2.gz HLPIEMDCSNCRRI-ZDUSSCGKSA-N 0 3 294.420 2.205 10 0 CEAEHN CC(C)(C)n1cc(CN2CCC[C@H]2CCCO)cn1 ZINC000092785428 344204009 /nfs/dbraw/zinc/20/40/09/344204009.db2.gz NWYFGGLRJYDFRU-AWEZNQCLSA-N 0 3 265.401 2.375 10 0 CEAEHN CN[C@](C)(CO)c1cc(Br)ccc1F ZINC000132177340 344361849 /nfs/dbraw/zinc/36/18/49/344361849.db2.gz XGJTVRGZLHGHGE-SNVBAGLBSA-N 0 3 262.122 2.015 10 0 CEAEHN C=CCNc1nc(=NN(C)C)c2scc(C)c2[nH]1 ZINC000140614574 344398337 /nfs/dbraw/zinc/39/83/37/344398337.db2.gz SSGBEEJXEKUPES-UHFFFAOYSA-N 0 3 263.370 2.486 10 0 CEAEHN CC(C)c1nc(Br)cc(NN(C)C)n1 ZINC000160784532 344461239 /nfs/dbraw/zinc/46/12/39/344461239.db2.gz AYEUMLKGFXBEGK-UHFFFAOYSA-N 0 3 259.151 2.251 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC000170859543 344491940 /nfs/dbraw/zinc/49/19/40/344491940.db2.gz GUDVJBPUTWSQKA-MRXNPFEDSA-N 0 3 283.375 2.253 10 0 CEAEHN NCc1cccc(I)c1Cl ZINC000238684497 344607737 /nfs/dbraw/zinc/60/77/37/344607737.db2.gz ZRBWAZSOQGLTLC-UHFFFAOYSA-N 0 3 267.497 2.403 10 0 CEAEHN CCCCOC[C@H](O)CNCc1sc(C)nc1C ZINC000311021395 344732912 /nfs/dbraw/zinc/73/29/12/344732912.db2.gz ZEQMIYMDKNVTMW-GFCCVEGCSA-N 0 3 272.414 2.027 10 0 CEAEHN N[C@H](Cn1cccn1)c1cscc1Br ZINC000306888356 344718289 /nfs/dbraw/zinc/71/82/89/344718289.db2.gz VVDXVOOIJZVJRZ-SECBINFHSA-N 0 3 272.171 2.407 10 0 CEAEHN CCC(CC)(CC)CNC(=O)C(C)(C)N1CCNCC1 ZINC000391311421 344839249 /nfs/dbraw/zinc/83/92/49/344839249.db2.gz XTTINYIGLARQCF-UHFFFAOYSA-N 0 3 283.460 2.003 10 0 CEAEHN CCN1CCO[C@H](CNC/C=C\c2ccccc2)C1 ZINC000381567206 344824840 /nfs/dbraw/zinc/82/48/40/344824840.db2.gz MEQORXWGYGFKKN-CXOKCQFOSA-N 0 3 260.381 2.010 10 0 CEAEHN CC(C)(C)c1nc(CN2CC[C@@H]3OCCN[C@H]3C2)cs1 ZINC000404095664 344877749 /nfs/dbraw/zinc/87/77/49/344877749.db2.gz XVCMBSCSCGOBKA-STQMWFEESA-N 0 3 295.452 2.003 10 0 CEAEHN CCOC(=O)[C@@H](CC)Oc1ccc2c(c1)OC[C@H]2NC ZINC000084100551 178789265 /nfs/dbraw/zinc/78/92/65/178789265.db2.gz LKSMEYNNNMOEKW-CHWSQXEVSA-N 0 3 279.336 2.060 10 0 CEAEHN CCOC(OCC)(OCCN(C)C)[Si](C)(C)C ZINC000584607152 344964088 /nfs/dbraw/zinc/96/40/88/344964088.db2.gz ADHCUQKAVBHDEB-UHFFFAOYSA-N 0 3 263.454 2.169 10 0 CEAEHN CN(C)CC[C@@](O)(Cc1ccccc1)c1ccccn1 ZINC000584629165 344969152 /nfs/dbraw/zinc/96/91/52/344969152.db2.gz JTZCNJNITXCMRR-QGZVFWFLSA-N 0 3 270.376 2.464 10 0 CEAEHN CCOc1ccc([C@H](N)CC(=O)OC(C)(C)C)cn1 ZINC000584633887 344970702 /nfs/dbraw/zinc/97/07/02/344970702.db2.gz RJIPVLAESROREV-LLVKDONJSA-N 0 3 266.341 2.212 10 0 CEAEHN NCc1cc(-c2ccc(C(F)(F)F)cn2)ncn1 ZINC000584637358 344971286 /nfs/dbraw/zinc/97/12/86/344971286.db2.gz RWNIFJVAJMHETA-UHFFFAOYSA-N 0 3 254.215 2.016 10 0 CEAEHN CCCO[C@H](COC)CN1CCN(c2ccccc2)CC1 ZINC000584652197 344973447 /nfs/dbraw/zinc/97/34/47/344973447.db2.gz ORFLVMDCVWLIDQ-KRWDZBQOSA-N 0 3 292.423 2.250 10 0 CEAEHN CCN[C@H](CCc1c(C)nn(C)c1C)c1nccn1C ZINC000097191135 185558682 /nfs/dbraw/zinc/55/86/82/185558682.db2.gz ZLSWDQXZWAOHIV-CQSZACIVSA-N 0 3 275.400 2.054 10 0 CEAEHN Cc1ccc([C@@H](C)CNC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000162257554 232258281 /nfs/dbraw/zinc/25/82/81/232258281.db2.gz IADCUKUPNYZPNS-HOCLYGCPSA-N 0 3 289.423 2.444 10 0 CEAEHN C[C@@H](NC(=O)[C@H]1C[C@H](C)CCN1)c1cccs1 ZINC000127509040 187311495 /nfs/dbraw/zinc/31/14/95/187311495.db2.gz UAJGBUMYVZWCOL-GMTAPVOTSA-N 0 3 252.383 2.313 10 0 CEAEHN Cn1cc([C@H]2CCCN2C[C@](C)(O)c2ccccc2)cn1 ZINC000173654745 232281486 /nfs/dbraw/zinc/28/14/86/232281486.db2.gz SEDGXKLXADLYML-SJORKVTESA-N 0 3 285.391 2.465 10 0 CEAEHN CC[C@@](C)([C@H](NN)c1cnccc1C)N1CCCC1 ZINC000097584713 185631640 /nfs/dbraw/zinc/63/16/40/185631640.db2.gz OVHDISNHUVDVRX-CABCVRRESA-N 0 3 262.401 2.159 10 0 CEAEHN N[C@@](CO)(COc1ccccc1F)c1ccccc1 ZINC000085284434 179002055 /nfs/dbraw/zinc/00/20/55/179002055.db2.gz QECJLHFVVWETAU-HNNXBMFYSA-N 0 3 261.296 2.051 10 0 CEAEHN COCCSC[C@@](CO)(NC1CC1)c1ccccc1 ZINC000085298012 179009151 /nfs/dbraw/zinc/00/91/51/179009151.db2.gz JGKRQHAZNVAOSC-OAHLLOKOSA-N 0 3 281.421 2.006 10 0 CEAEHN CC[C@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085505354 179084091 /nfs/dbraw/zinc/08/40/91/179084091.db2.gz CZIFTJKVRIRLNV-XHSDSOJGSA-N 0 3 260.381 2.200 10 0 CEAEHN Cc1nccn1CCN1C[C@@H](c2ccccc2)NC[C@@H]1C ZINC000085504551 179084331 /nfs/dbraw/zinc/08/43/31/179084331.db2.gz LWVUIKVDXCUNKJ-YOEHRIQHSA-N 0 3 284.407 2.227 10 0 CEAEHN CCCN[C@@](C)(CCOc1cc(C)ccc1F)C(N)=O ZINC000085560987 179094578 /nfs/dbraw/zinc/09/45/78/179094578.db2.gz NJXQDMGKJVXWBA-HNNXBMFYSA-N 0 3 282.359 2.147 10 0 CEAEHN Cc1cccc(NCCCNCc2cccnc2)n1 ZINC000063197187 362760072 /nfs/dbraw/zinc/76/00/72/362760072.db2.gz ZNSWYSMLSYVTSM-UHFFFAOYSA-N 0 3 256.353 2.377 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)N[C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085673849 179112056 /nfs/dbraw/zinc/11/20/56/179112056.db2.gz YLTMFRUYFKBATA-RFGFWPKPSA-N 0 3 282.428 2.037 10 0 CEAEHN CN(C)C(C)(C)[C@H](N)c1occc1Br ZINC000085736539 179134746 /nfs/dbraw/zinc/13/47/46/179134746.db2.gz SVCYFQKNPIWTPW-SECBINFHSA-N 0 3 261.163 2.382 10 0 CEAEHN CCC[C@@H](N)C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC000236891467 370647943 /nfs/dbraw/zinc/64/79/43/370647943.db2.gz GXSNTSIWLNYYFY-GFCCVEGCSA-N 0 3 288.395 2.081 10 0 CEAEHN C[C@@H]1CC[C@H](N[C@@H]2CC(=O)N(c3ccccc3)C2=O)[C@@H]1C ZINC000086075197 179224948 /nfs/dbraw/zinc/22/49/48/179224948.db2.gz QRPVHTGDZOIJJF-RJZRQDKASA-N 0 3 286.375 2.343 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000086021201 179218787 /nfs/dbraw/zinc/21/87/87/179218787.db2.gz AJGLFTDVVMNZGH-JKSUJKDBSA-N 0 3 293.432 2.261 10 0 CEAEHN CCOC(=O)[C@](CC)(NCCN(CC)CC)C1CC1 ZINC000086121182 179235013 /nfs/dbraw/zinc/23/50/13/179235013.db2.gz SZCGPMAABSDAIA-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN Cc1ccc(CNCCNCC(F)(F)F)s1 ZINC000086136819 179236626 /nfs/dbraw/zinc/23/66/26/179236626.db2.gz WLDVZEPRYNNKIY-UHFFFAOYSA-N 0 3 252.305 2.298 10 0 CEAEHN CC(C)(O)CCOc1c(Br)cccc1CN ZINC000086234401 179254258 /nfs/dbraw/zinc/25/42/58/179254258.db2.gz YEHQVIXLUQGWSV-UHFFFAOYSA-N 0 3 288.185 2.448 10 0 CEAEHN COCc1nc(CN[C@@H](C)CN2CCCCC2)cs1 ZINC000608053638 347558160 /nfs/dbraw/zinc/55/81/60/347558160.db2.gz VSDLRHYDKBBFDR-LBPRGKRZSA-N 0 3 283.441 2.254 10 0 CEAEHN CN1C(=O)CCC[C@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317419 179270270 /nfs/dbraw/zinc/27/02/70/179270270.db2.gz JNYCWOVONSPKGI-LRDDRELGSA-N 0 3 269.348 2.246 10 0 CEAEHN C[C@H](C(=O)Nc1ncccc1[O-])[C@@H]([NH3+])c1ccccc1 ZINC000128604810 187379964 /nfs/dbraw/zinc/37/99/64/187379964.db2.gz UTRDLOIFSRMIAT-GXFFZTMASA-N 0 3 271.320 2.062 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1nc2c(s1)CCC[C@@H]2N ZINC000086443787 179293829 /nfs/dbraw/zinc/29/38/29/179293829.db2.gz ZTQCGRMIBXMIIA-AXFHLTTASA-N 0 3 281.425 2.483 10 0 CEAEHN CN[C@@H]1CCCc2sc(N(C)Cc3nccn3C)nc21 ZINC000086444053 179293839 /nfs/dbraw/zinc/29/38/39/179293839.db2.gz HJODWGLDEMZQKV-SNVBAGLBSA-N 0 3 291.424 2.110 10 0 CEAEHN CN(CC(F)(F)F)c1nc2c(s1)CCC[C@H]2N ZINC000086443003 179293904 /nfs/dbraw/zinc/29/39/04/179293904.db2.gz KNVPCPNMAHMQKP-ZCFIWIBFSA-N 0 3 265.304 2.478 10 0 CEAEHN C[C@H]1CN(c2nc3c(s2)CCC[C@@H]3N)CCCO1 ZINC000086444002 179294061 /nfs/dbraw/zinc/29/40/61/179294061.db2.gz OEMYSLGRDOUWIQ-UWVGGRQHSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc(C)nc2C)[C@@H](CC)CN1 ZINC000086446152 179294488 /nfs/dbraw/zinc/29/44/88/179294488.db2.gz KVRZEVNWHWKVRP-KBPBESRZSA-N 0 3 275.396 2.301 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(F)cc2)[C@@H](CC)CN1 ZINC000086446411 179294698 /nfs/dbraw/zinc/29/46/98/179294698.db2.gz PJMRTAHKBAKTFE-KGLIPLIRSA-N 0 3 264.344 2.428 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)[C@H](CC)CN1 ZINC000086446306 179294731 /nfs/dbraw/zinc/29/47/31/179294731.db2.gz BBOBTGVMMXXEST-HUUCEWRRSA-N 0 3 278.371 2.357 10 0 CEAEHN COC(OC)[C@@H](N)Cc1cc(Br)ccc1F ZINC000086451878 179296242 /nfs/dbraw/zinc/29/62/42/179296242.db2.gz BXFHIBYSOPYRSX-JTQLQIEISA-N 0 3 292.148 2.077 10 0 CEAEHN Cc1cc(C)c(C(=O)N2C[C@H](C)NC[C@H]2C)c(C)c1 ZINC000086467260 179297037 /nfs/dbraw/zinc/29/70/37/179297037.db2.gz RMSZSQKTVGAKPE-UONOGXRCSA-N 0 3 260.381 2.434 10 0 CEAEHN C[C@@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)[C@H](C)CN1 ZINC000086467582 179297577 /nfs/dbraw/zinc/29/75/77/179297577.db2.gz RZXBCPNMOZIPMF-NXEZZACHSA-N 0 3 281.787 2.299 10 0 CEAEHN CCOC(=O)C[C@H](N)c1ccc(OC)c(Cl)c1 ZINC000086583500 179309009 /nfs/dbraw/zinc/30/90/09/179309009.db2.gz YJHVPVWTRSAGTC-JTQLQIEISA-N 0 3 257.717 2.302 10 0 CEAEHN COC[C@@H](NCc1c(OC)nc2sccn12)C(C)C ZINC000086696356 179320780 /nfs/dbraw/zinc/32/07/80/179320780.db2.gz VISICIDXMPJNQZ-SNVBAGLBSA-N 0 3 283.397 2.165 10 0 CEAEHN C[C@H](CCc1ccco1)N[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086671609 179317505 /nfs/dbraw/zinc/31/75/05/179317505.db2.gz RNALUSOTVSSQRP-BNOWGMLFSA-N 0 3 285.409 2.156 10 0 CEAEHN CC[C@@](C)(N)C(=O)NCc1ccc(Br)cc1 ZINC000086801419 179336041 /nfs/dbraw/zinc/33/60/41/179336041.db2.gz NMJADIZKRJFYTM-GFCCVEGCSA-N 0 3 285.185 2.193 10 0 CEAEHN CC(C)N1CCC[C@@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849876 179357575 /nfs/dbraw/zinc/35/75/75/179357575.db2.gz XMFYSHDFUKCNNO-KRWDZBQOSA-N 0 3 290.407 2.494 10 0 CEAEHN CCOC(=O)[C@@]1(NCC2CC2)CCCN(C(C)C)CC1 ZINC000086850350 179357885 /nfs/dbraw/zinc/35/78/85/179357885.db2.gz LHRCNDNQGMJVNZ-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCc1nc([C@@]2(N)CCCN(CCC)CC2)no1 ZINC000086851742 179359634 /nfs/dbraw/zinc/35/96/34/179359634.db2.gz KTYBBTBOEQURLH-CQSZACIVSA-N 0 3 266.389 2.072 10 0 CEAEHN CCCc1nc([C@]2(N)CCCN(C(C)C)CC2)no1 ZINC000086851736 179359769 /nfs/dbraw/zinc/35/97/69/179359769.db2.gz NPHFDCKSIHMPEH-AWEZNQCLSA-N 0 3 266.389 2.070 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](C)[C@@H](CC)C(=O)[O-])CC1 ZINC000086869228 179362301 /nfs/dbraw/zinc/36/23/01/179362301.db2.gz ONJIEQLVERLGOF-STQMWFEESA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](C)[C@@H](CC)C(=O)[O-])CC1 ZINC000086869228 179362303 /nfs/dbraw/zinc/36/23/03/179362303.db2.gz ONJIEQLVERLGOF-STQMWFEESA-N 0 3 256.390 2.046 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@H+](C)CCCC(=O)[O-])CC1 ZINC000086869219 179362706 /nfs/dbraw/zinc/36/27/06/179362706.db2.gz QLJIZYXVOAOWGT-CYBMUJFWSA-N 0 3 256.390 2.046 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@@H+](C)CCCC(=O)[O-])CC1 ZINC000086869219 179362707 /nfs/dbraw/zinc/36/27/07/179362707.db2.gz QLJIZYXVOAOWGT-CYBMUJFWSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@@]([NH2+]Cc2ccccc2)(C(=O)[O-])CC1 ZINC000086849881 179357909 /nfs/dbraw/zinc/35/79/09/179357909.db2.gz JPFQAEYJVWBONS-KRWDZBQOSA-N 0 3 290.407 2.496 10 0 CEAEHN CC[C@H](C)N[C@]1(C(=O)OC)CCCN(C(C)C)CC1 ZINC000086850500 179358171 /nfs/dbraw/zinc/35/81/71/179358171.db2.gz YAPLAKACIMPNGI-DZGCQCFKSA-N 0 3 270.417 2.181 10 0 CEAEHN CC[C@H](C)N[C@@]1(C(=O)OC)CCCN(C(C)C)CC1 ZINC000086850505 179358352 /nfs/dbraw/zinc/35/83/52/179358352.db2.gz YAPLAKACIMPNGI-ZFWWWQNUSA-N 0 3 270.417 2.181 10 0 CEAEHN CCN(CC)CCN[C@@]1(C(=O)OC)CCC[C@@H](C)CC1 ZINC000086891866 179366037 /nfs/dbraw/zinc/36/60/37/179366037.db2.gz CBRFWSRLIYWJQT-ZBFHGGJFSA-N 0 3 284.444 2.430 10 0 CEAEHN COc1ccc([C@@H](CN)N(C)Cc2cccnc2)cc1F ZINC000086983598 179374034 /nfs/dbraw/zinc/37/40/34/179374034.db2.gz CVZLHQHESDAKJJ-OAHLLOKOSA-N 0 3 289.354 2.361 10 0 CEAEHN CC[C@@](C)(O)CN[C@H]1CCOc2ccc(OC)cc21 ZINC000087012106 179379263 /nfs/dbraw/zinc/37/92/63/179379263.db2.gz KGOUWHBNFBXYMA-DZGCQCFKSA-N 0 3 265.353 2.269 10 0 CEAEHN CC[C@](C)(O)CNCC(=O)Nc1ccc(Cl)cc1 ZINC000087028088 179381612 /nfs/dbraw/zinc/38/16/12/179381612.db2.gz GKJQZIVPVYRCLL-ZDUSSCGKSA-N 0 3 270.760 2.029 10 0 CEAEHN CCN1C(=O)CCC[C@@H](N)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995301 179376349 /nfs/dbraw/zinc/37/63/49/179376349.db2.gz JSXPTMZAGKEERH-DOMZBBRYSA-N 0 3 280.343 2.235 10 0 CEAEHN C[C@@H]1CCC[C@@](O)(CNCC(=O)Nc2ccccc2F)C1 ZINC000087064778 179390148 /nfs/dbraw/zinc/39/01/48/179390148.db2.gz QOOSHCNMEWLPGD-WBMJQRKESA-N 0 3 294.370 2.295 10 0 CEAEHN Cc1nc(C)c([C@@H](C)[NH2+]CC2(O)CCCCCC2)c(=O)[n-]1 ZINC000087088936 179393721 /nfs/dbraw/zinc/39/37/21/179393721.db2.gz DFSHAYIWUUYSNV-LLVKDONJSA-N 0 3 293.411 2.123 10 0 CEAEHN CC[C@H]1CNC[C@H](c2ccc(OC)cc2OC)O1 ZINC000087090341 179393944 /nfs/dbraw/zinc/39/39/44/179393944.db2.gz HPADKTXUECYTIM-IINYFYTJSA-N 0 3 251.326 2.143 10 0 CEAEHN CC[C@H](C)SCc1nc(C[NH2+]C(C)C)cc(=O)[n-]1 ZINC000087141592 179397514 /nfs/dbraw/zinc/39/75/14/179397514.db2.gz NQDBVASXNTWMDB-JTQLQIEISA-N 0 3 269.414 2.300 10 0 CEAEHN OCc1ccc([C@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000616633351 348542007 /nfs/dbraw/zinc/54/20/07/348542007.db2.gz RDJMOYHUFWBWFB-GOSISDBHSA-N 0 3 282.387 2.325 10 0 CEAEHN CC(=O)Nc1cccc([C@H]2CNCCN2C(C)(C)C)c1 ZINC000616636783 348542749 /nfs/dbraw/zinc/54/27/49/348542749.db2.gz CPPQZMPIXFGFNK-OAHLLOKOSA-N 0 3 275.396 2.390 10 0 CEAEHN OCc1ccccc1[C@H]1CNCCN1Cc1ccccc1 ZINC000616637550 348543026 /nfs/dbraw/zinc/54/30/26/348543026.db2.gz WRABLGWPLAQLBO-GOSISDBHSA-N 0 3 282.387 2.325 10 0 CEAEHN c1n[nH]cc1[C@@H]1COCCN(Cc2ccccc2)C1 ZINC000616659912 348551990 /nfs/dbraw/zinc/55/19/90/348551990.db2.gz JZOSDRLEMOGDLX-HNNXBMFYSA-N 0 3 257.337 2.026 10 0 CEAEHN CCN1CCOCC[C@H]1c1cccc2nnccc21 ZINC000616656064 348549876 /nfs/dbraw/zinc/54/98/76/348549876.db2.gz HGJWYZJKLVZWRZ-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CCCN[C@@H](c1ccnn1C)[C@H]1COc2ccccc2O1 ZINC000087860150 179503775 /nfs/dbraw/zinc/50/37/75/179503775.db2.gz CXGVWYWNRHKYFQ-CVEARBPZSA-N 0 3 287.363 2.301 10 0 CEAEHN CCN1CCOCC[C@@H]1c1cccc2ccnnc21 ZINC000616597491 348529081 /nfs/dbraw/zinc/52/90/81/348529081.db2.gz ACPHQWALDJBQMV-CQSZACIVSA-N 0 3 257.337 2.413 10 0 CEAEHN CC[C@H](NC(=O)C1(N)CC1)c1ccc(Cl)cc1 ZINC000088129935 179553613 /nfs/dbraw/zinc/55/36/13/179553613.db2.gz QVTJHKUMUZCFFC-NSHDSACASA-N 0 3 252.745 2.399 10 0 CEAEHN NC1(C(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000088130062 179554107 /nfs/dbraw/zinc/55/41/07/179554107.db2.gz FLJXPPZKMGBBDQ-ZDUSSCGKSA-N 0 3 272.373 2.445 10 0 CEAEHN CCN1CCOC[C@H](c2cccc3ccnnc32)C1 ZINC000616661959 348552871 /nfs/dbraw/zinc/55/28/71/348552871.db2.gz WVHJKKTWMXGUTP-CYBMUJFWSA-N 0 3 257.337 2.066 10 0 CEAEHN c1nc([C@@H]2COCCN(Cc3ccccc3)C2)c[nH]1 ZINC000616661542 348553094 /nfs/dbraw/zinc/55/30/94/348553094.db2.gz ULLHJFVVDUZOSL-AWEZNQCLSA-N 0 3 257.337 2.026 10 0 CEAEHN c1c[nH]c([C@@H]2CCN(Cc3ccccc3)CCO2)n1 ZINC000616664019 348554322 /nfs/dbraw/zinc/55/43/22/348554322.db2.gz LLRIWCVRKNWTIN-AWEZNQCLSA-N 0 3 257.337 2.373 10 0 CEAEHN CC[C@@H](NC(=O)[C@H]1CNCc2ccccc21)C(C)C ZINC000087618702 539651894 /nfs/dbraw/zinc/65/18/94/539651894.db2.gz YLMRDSCMZHTGRY-LSDHHAIUSA-N 0 3 260.381 2.424 10 0 CEAEHN OC[C@@]1(CN2CCC(C(F)(F)F)CC2)CCCOC1 ZINC000088437130 179601813 /nfs/dbraw/zinc/60/18/13/179601813.db2.gz ZXKSEGKNSJIUGJ-LBPRGKRZSA-N 0 3 281.318 2.050 10 0 CEAEHN CCN[C@H](Cc1ccncc1Cl)c1ccncn1 ZINC000088789422 179672253 /nfs/dbraw/zinc/67/22/53/179672253.db2.gz ZBQXESKMKLVFFR-CYBMUJFWSA-N 0 3 262.744 2.418 10 0 CEAEHN CCCNCc1nccn1Cc1c(Cl)c(C)nn1C ZINC000089248058 179759990 /nfs/dbraw/zinc/75/99/90/179759990.db2.gz LAGBXTOLVSSGMK-UHFFFAOYSA-N 0 3 281.791 2.126 10 0 CEAEHN Cc1nn(C)c(C[C@H](N)c2cc(C)ccn2)c1Cl ZINC000089251695 179760490 /nfs/dbraw/zinc/76/04/90/179760490.db2.gz ZSQSAVXGHAFHCM-JTQLQIEISA-N 0 3 264.760 2.328 10 0 CEAEHN CN1CCO[C@@H](CNCc2csc(C(F)(F)F)c2)C1 ZINC000623404973 350011326 /nfs/dbraw/zinc/01/13/26/350011326.db2.gz SHCQVUSOQXKRRI-JTQLQIEISA-N 0 3 294.342 2.187 10 0 CEAEHN CC(C)(c1noc([C@]2(C)COC[C@@H]2N)n1)c1ccccc1 ZINC000090573800 180007312 /nfs/dbraw/zinc/00/73/12/180007312.db2.gz VZGSDLKVTJQLPD-BLLLJJGKSA-N 0 3 287.363 2.011 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc(Cl)cc2Cl)COC[C@H]1N ZINC000090580353 180008639 /nfs/dbraw/zinc/00/86/39/180008639.db2.gz XQMTVMYRFWNFBF-ZYHUDNBSSA-N 0 3 289.162 2.296 10 0 CEAEHN CC(C)[C@H](NC(=O)[C@]1(C)COC[C@@H]1N)c1ccc(F)cc1 ZINC000090586307 180009299 /nfs/dbraw/zinc/00/92/99/180009299.db2.gz YWFJQPHRSXHIKB-OFQRWUPVSA-N 0 3 294.370 2.003 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@]1(C)COC[C@@H]1N ZINC000090590020 180010509 /nfs/dbraw/zinc/01/05/09/180010509.db2.gz BTEYXAPPDBFCON-GXTWGEPZSA-N 0 3 280.393 2.101 10 0 CEAEHN C[C@@H](OCCC(=O)Nc1ccccc1CN)C(F)(F)F ZINC000090671961 180020822 /nfs/dbraw/zinc/02/08/22/180020822.db2.gz SYONMXGWNSVDCI-SECBINFHSA-N 0 3 290.285 2.441 10 0 CEAEHN COc1cc(N[C@@H](C)CN2CCCCC2)nc(C)n1 ZINC000090792146 180042902 /nfs/dbraw/zinc/04/29/02/180042902.db2.gz SJHLPGZZHXVPHX-NSHDSACASA-N 0 3 264.373 2.080 10 0 CEAEHN Cc1ccc2c(c1)C[C@@H](CNCc1ccnc(C)n1)O2 ZINC000090897493 180057270 /nfs/dbraw/zinc/05/72/70/180057270.db2.gz GQXRBPRUSSAIMQ-HNNXBMFYSA-N 0 3 269.348 2.187 10 0 CEAEHN COC(=O)CCCN(C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900832 180059328 /nfs/dbraw/zinc/05/93/28/180059328.db2.gz CXNIDODMCIHXDQ-AWEZNQCLSA-N 0 3 277.364 2.184 10 0 CEAEHN Cc1ccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090905707 180059673 /nfs/dbraw/zinc/05/96/73/180059673.db2.gz JYPHQRBLGUZPDS-IJEWVQPXSA-N 0 3 260.381 2.166 10 0 CEAEHN Cc1ccc(C)c([C@H](N)CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906067 180060864 /nfs/dbraw/zinc/06/08/64/180060864.db2.gz XTGZAYLOWUVZFF-IJEWVQPXSA-N 0 3 260.381 2.166 10 0 CEAEHN CC(=O)Nc1ccsc1CNCCc1ccccn1 ZINC000090958973 180075413 /nfs/dbraw/zinc/07/54/13/180075413.db2.gz CXMRIRSCVWQFKD-UHFFFAOYSA-N 0 3 275.377 2.434 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@H](C)[C@H]1CCCO1 ZINC000090961361 180075951 /nfs/dbraw/zinc/07/59/51/180075951.db2.gz XMWONSLDMDDFIB-IAQYHMDHSA-N 0 3 262.353 2.302 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@@H]1CCC[C@H](O)C1 ZINC000090962097 180076067 /nfs/dbraw/zinc/07/60/67/180076067.db2.gz VZQWXKOUEIYILK-KGLIPLIRSA-N 0 3 262.353 2.038 10 0 CEAEHN CC(=O)Nc1ccccc1CNCCN1CCCCC1 ZINC000090962429 180076819 /nfs/dbraw/zinc/07/68/19/180076819.db2.gz MBNDJNBRCTWWDK-UHFFFAOYSA-N 0 3 275.396 2.221 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1C[C@H]1Cc2ccccc21 ZINC000090993369 180081950 /nfs/dbraw/zinc/08/19/50/180081950.db2.gz OJXCCBAXHQFJAU-CJNGLKHVSA-N 0 3 270.376 2.069 10 0 CEAEHN CC(C)c1noc(Cn2cccc2CNC2CC2)n1 ZINC000091001306 180083233 /nfs/dbraw/zinc/08/32/33/180083233.db2.gz WRSSDVHQYIQNNL-UHFFFAOYSA-N 0 3 260.341 2.295 10 0 CEAEHN CC(C)C[C@@H](NCc1c[nH]c2ncccc12)C(=O)N(C)C ZINC000091016405 180086985 /nfs/dbraw/zinc/08/69/85/180086985.db2.gz YDXHKJJMLMPTRL-CQSZACIVSA-N 0 3 288.395 2.155 10 0 CEAEHN CCCn1c(C[C@H]2CSCCN2)nc2cccnc21 ZINC000091128711 180099993 /nfs/dbraw/zinc/09/99/93/180099993.db2.gz LHJPLWBWFQZIBJ-NSHDSACASA-N 0 3 276.409 2.089 10 0 CEAEHN CCn1c(C[C@H]2CSCCN2)nc2c1cccc2F ZINC000091128595 180100466 /nfs/dbraw/zinc/10/04/66/180100466.db2.gz CFXSQXWMGKWPNW-JTQLQIEISA-N 0 3 279.384 2.443 10 0 CEAEHN CCn1c(C[C@H]2CSCCN2)nc2ccccc21 ZINC000091128479 180100595 /nfs/dbraw/zinc/10/05/95/180100595.db2.gz MTBCPBFCFHYKBH-NSHDSACASA-N 0 3 261.394 2.304 10 0 CEAEHN Cc1nnc(C[C@@H]2CSCCN2)n1C1CCCCC1 ZINC000091129565 180100924 /nfs/dbraw/zinc/10/09/24/180100924.db2.gz NSNUVDOGIVRYRM-GFCCVEGCSA-N 0 3 280.441 2.339 10 0 CEAEHN C[C@H]1CC(OC(=O)C[C@@H]2CSCCN2)C[C@H](C)C1 ZINC000091130082 180101381 /nfs/dbraw/zinc/10/13/81/180101381.db2.gz XNOPMGQLKMGCOJ-IJLUTSLNSA-N 0 3 271.426 2.449 10 0 CEAEHN CC(C)CN(CC(F)(F)F)C(=O)C[C@H]1CSCCN1 ZINC000091136346 180105007 /nfs/dbraw/zinc/10/50/07/180105007.db2.gz DWBUUWUHQPJZLM-JTQLQIEISA-N 0 3 298.374 2.128 10 0 CEAEHN CC(C)(C)N1C(=O)CC[C@@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275543 180119151 /nfs/dbraw/zinc/11/91/51/180119151.db2.gz VTRFWJPVOIIDSM-RISCZKNCSA-N 0 3 276.384 2.007 10 0 CEAEHN C[C@H]1CCC[C@](CO)(NCc2cncn2C2CC2)C1 ZINC000091275944 180119230 /nfs/dbraw/zinc/11/92/30/180119230.db2.gz RAWQSSCTEQGSIW-WFASDCNBSA-N 0 3 263.385 2.249 10 0 CEAEHN CC(C)CN([C@H](CN)c1cncn1C1CC1)C1CC1 ZINC000091276418 180119548 /nfs/dbraw/zinc/11/95/48/180119548.db2.gz VMRJFLMYHRVPNL-CQSZACIVSA-N 0 3 262.401 2.338 10 0 CEAEHN CCC(CC)N(C)[C@H](CN)c1cncn1C1CC1 ZINC000091276270 180119819 /nfs/dbraw/zinc/11/98/19/180119819.db2.gz TWLBYAQFLLALFR-CYBMUJFWSA-N 0 3 250.390 2.338 10 0 CEAEHN CC(C)CN([C@@H](CN)c1cncn1C1CC1)C1CC1 ZINC000091276417 180119908 /nfs/dbraw/zinc/11/99/08/180119908.db2.gz VMRJFLMYHRVPNL-AWEZNQCLSA-N 0 3 262.401 2.338 10 0 CEAEHN C[C@@H]1CCCN([C@@H](CN)c2cncn2C2CC2)[C@@H]1C ZINC000091276501 180119957 /nfs/dbraw/zinc/11/99/57/180119957.db2.gz KCBULAJYYIGQEL-BZPMIXESSA-N 0 3 262.401 2.338 10 0 CEAEHN CCCCCN(C)[C@H](CN)c1cncn1C1CC1 ZINC000091276238 180120365 /nfs/dbraw/zinc/12/03/65/180120365.db2.gz CIBNTJLMQYOKHO-CYBMUJFWSA-N 0 3 250.390 2.340 10 0 CEAEHN CCC(CC)[C@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000091291466 180122779 /nfs/dbraw/zinc/12/27/79/180122779.db2.gz CICJFJOZHXPCBB-CMPLNLGQSA-N 0 3 258.431 2.022 10 0 CEAEHN CC(C)[C@H](NC(=O)C[C@H]1CNCCO1)c1ccc(F)cc1 ZINC000091299870 180126810 /nfs/dbraw/zinc/12/68/10/180126810.db2.gz PQBIKTHZUMGLNK-HOCLYGCPSA-N 0 3 294.370 2.018 10 0 CEAEHN CN(C)[C@H]1CCCN(c2nc3c(s2)CCCC3=O)C1 ZINC000091432674 180153724 /nfs/dbraw/zinc/15/37/24/180153724.db2.gz JOCLIYGOYHNRSG-JTQLQIEISA-N 0 3 279.409 2.193 10 0 CEAEHN CNc1c(F)cc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1F ZINC000091432720 180153899 /nfs/dbraw/zinc/15/38/99/180153899.db2.gz FPRAMLZXUGCRSX-LLVKDONJSA-N 0 3 297.349 2.173 10 0 CEAEHN CNCc1cncc(Oc2ccc(CCOC)cc2)n1 ZINC000091434932 180154644 /nfs/dbraw/zinc/15/46/44/180154644.db2.gz XAKJKIONYMLAFC-UHFFFAOYSA-N 0 3 273.336 2.177 10 0 CEAEHN Cc1cc([C@@H]2[C@@H](N)CCC(=O)N2C)ccc1Br ZINC000091476133 180166239 /nfs/dbraw/zinc/16/62/39/180166239.db2.gz BUODJWXZSIDFLS-WCQYABFASA-N 0 3 297.196 2.378 10 0 CEAEHN CN[C@H]1CCN(c2cc(C(F)(F)F)ccc2C)C1=O ZINC000091480233 180166609 /nfs/dbraw/zinc/16/66/09/180166609.db2.gz OJUCSEPKRCFZDK-JTQLQIEISA-N 0 3 272.270 2.339 10 0 CEAEHN Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)[C@@H](C)CN ZINC000091479117 180166754 /nfs/dbraw/zinc/16/67/54/180166754.db2.gz ZZFUWRFFUJMUGJ-QMMMGPOBSA-N 0 3 296.314 2.103 10 0 CEAEHN Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)[C@H](C)CN ZINC000091479121 180166793 /nfs/dbraw/zinc/16/67/93/180166793.db2.gz ZZFUWRFFUJMUGJ-MRVPVSSYSA-N 0 3 296.314 2.103 10 0 CEAEHN Cc1ccc(C(=O)CN2CCC[C@@H](N(C)C)C2)s1 ZINC000091394274 180146526 /nfs/dbraw/zinc/14/65/26/180146526.db2.gz GTEFPQOBLDPWSV-GFCCVEGCSA-N 0 3 266.410 2.265 10 0 CEAEHN C[C@@H](O)C(C)(C)CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000091405641 180147796 /nfs/dbraw/zinc/14/77/96/180147796.db2.gz WILKAVUHNYJQPF-GDBMZVCRSA-N 0 3 276.424 2.382 10 0 CEAEHN COc1cccc([C@H](CNCc2cnco2)N(C)C)c1 ZINC000091408374 180148142 /nfs/dbraw/zinc/14/81/42/180148142.db2.gz VBSPBZWFKDVGPV-HNNXBMFYSA-N 0 3 275.352 2.076 10 0 CEAEHN COCCN(CC(C)C)c1cncc(CNCC(C)C)n1 ZINC000091419955 180150536 /nfs/dbraw/zinc/15/05/36/180150536.db2.gz RKYISVURGSUDFE-UHFFFAOYSA-N 0 3 294.443 2.331 10 0 CEAEHN CC(C)NCc1cncc(N(C)CC(C)(C)C)n1 ZINC000091420664 180150548 /nfs/dbraw/zinc/15/05/48/180150548.db2.gz SISMUAXEZMRWTG-UHFFFAOYSA-N 0 3 250.390 2.457 10 0 CEAEHN CC[C@@H](C)CN(C)c1cncc(CNC(C)C)n1 ZINC000091419198 180150743 /nfs/dbraw/zinc/15/07/43/180150743.db2.gz SSJHFCIBCLFFBQ-GFCCVEGCSA-N 0 3 250.390 2.457 10 0 CEAEHN CCCNCc1cncc(N(C)[C@@H](C)C(C)C)n1 ZINC000091419392 180150889 /nfs/dbraw/zinc/15/08/89/180150889.db2.gz BHTXSHXIORZCLJ-LBPRGKRZSA-N 0 3 250.390 2.457 10 0 CEAEHN CC(C)NCc1cncc(-n2cc(C(F)(F)F)cn2)n1 ZINC000091422553 180151266 /nfs/dbraw/zinc/15/12/66/180151266.db2.gz OCEXDVRAAADVDL-UHFFFAOYSA-N 0 3 285.273 2.179 10 0 CEAEHN Cc1ncn(-c2cncc(CNC(C)(C)C)n2)c1C ZINC000091422489 180151459 /nfs/dbraw/zinc/15/14/59/180151459.db2.gz GRRMLQXRFIDAMR-UHFFFAOYSA-N 0 3 259.357 2.167 10 0 CEAEHN CC(C)(C)NCc1cncc(-n2cc(Cl)cn2)n1 ZINC000091422411 180151541 /nfs/dbraw/zinc/15/15/41/180151541.db2.gz GXMVAASIVPXSHR-UHFFFAOYSA-N 0 3 265.748 2.204 10 0 CEAEHN CN[C@H](c1cnccc1N)C(C)(C)N1CCCCC1 ZINC000091564798 180193576 /nfs/dbraw/zinc/19/35/76/180193576.db2.gz CEJABIJLXGXGJW-CQSZACIVSA-N 0 3 262.401 2.189 10 0 CEAEHN CC(C)([C@H](N)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000091566265 180194037 /nfs/dbraw/zinc/19/40/37/180194037.db2.gz FBKXMSMRDIAXMX-CYBMUJFWSA-N 0 3 270.323 2.075 10 0 CEAEHN CC(C)([C@H](N)c1ccccc1Cl)N1CCOCC1 ZINC000091566094 180194166 /nfs/dbraw/zinc/19/41/66/180194166.db2.gz SPLAWLBHKVCFSN-CYBMUJFWSA-N 0 3 268.788 2.451 10 0 CEAEHN CC(C)([C@@H](N)c1cccc(F)c1F)N1CCOCC1 ZINC000091566368 180194245 /nfs/dbraw/zinc/19/42/45/180194245.db2.gz KISRWULERKTLHX-ZDUSSCGKSA-N 0 3 270.323 2.075 10 0 CEAEHN CCCN[C@H](c1nccn1C)[C@](C)(CC)N(C)C ZINC000091571887 180196139 /nfs/dbraw/zinc/19/61/39/180196139.db2.gz YPJHDJMNIMFYCQ-OCCSQVGLSA-N 0 3 252.406 2.191 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cccc(C)c1)N1CCOCC1 ZINC000091611856 180206172 /nfs/dbraw/zinc/20/61/72/180206172.db2.gz HUGCNYJHZDVZMW-JKSUJKDBSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccsc1)N1CCOCC1 ZINC000091611617 180206770 /nfs/dbraw/zinc/20/67/70/180206770.db2.gz YYTJGBHWGKJMBE-OLZOCXBDSA-N 0 3 254.399 2.249 10 0 CEAEHN CC[C@](C)([C@@H](NC)c1ccccc1OC)N1CCOCC1 ZINC000091612280 180207021 /nfs/dbraw/zinc/20/70/21/180207021.db2.gz WKAWYGVVLNVOPA-DLBZAZTESA-N 0 3 292.423 2.457 10 0 CEAEHN COc1ccc([C@@H](O)C(C)(C)N(C)C)c(OC)c1 ZINC000091528325 180179531 /nfs/dbraw/zinc/17/95/31/180179531.db2.gz SNZHEIKFGBWOJL-CYBMUJFWSA-N 0 3 253.342 2.077 10 0 CEAEHN CCN(CC)C(C)(C)[C@@H](NC)c1nccn1CC ZINC000091531008 180180239 /nfs/dbraw/zinc/18/02/39/180180239.db2.gz GNDOXLKTTHGHQN-LBPRGKRZSA-N 0 3 252.406 2.284 10 0 CEAEHN COC(=O)c1cc(NCCN2CCC(C)CC2)ccn1 ZINC000091544829 180185761 /nfs/dbraw/zinc/18/57/61/180185761.db2.gz VCAWTEVCPFYSOK-UHFFFAOYSA-N 0 3 277.368 2.012 10 0 CEAEHN O=C1C[C@@H](NC(C2CC2)C2CC2)C(=O)N1c1ccccc1 ZINC000105044879 186038802 /nfs/dbraw/zinc/03/88/02/186038802.db2.gz RMDUBHYLSTYFAJ-CQSZACIVSA-N 0 3 284.359 2.097 10 0 CEAEHN CC(C)CC[C@H](O)C1(N2CCOCC2)CCCC1 ZINC000091642587 180213807 /nfs/dbraw/zinc/21/38/07/180213807.db2.gz YRIRVMDNYYJKIA-AWEZNQCLSA-N 0 3 255.402 2.429 10 0 CEAEHN CN1CCC[C@H]1CCOc1nc(Cl)ncc1F ZINC000091655014 180216844 /nfs/dbraw/zinc/21/68/44/180216844.db2.gz QHWADHUYNKEBID-QMMMGPOBSA-N 0 3 259.712 2.132 10 0 CEAEHN CCN(CC)C(=O)CCN[C@H]1CCCc2cccnc21 ZINC000091661100 180218292 /nfs/dbraw/zinc/21/82/92/180218292.db2.gz DJWIGXQUXUAWGT-AWEZNQCLSA-N 0 3 275.396 2.307 10 0 CEAEHN Cc1cnc(Cl)nc1N[C@@H]1CCN(C2CC2)C1 ZINC000091658768 180218481 /nfs/dbraw/zinc/21/84/81/180218481.db2.gz KJJOKJZOIFAZMZ-SECBINFHSA-N 0 3 252.749 2.087 10 0 CEAEHN Cc1cc([C@H](O)[C@H]2CN3CCC[C@@H]3CO2)ccc1F ZINC000091715448 180232071 /nfs/dbraw/zinc/23/20/71/180232071.db2.gz PJALIEYTFSQXGK-YUELXQCFSA-N 0 3 265.328 2.031 10 0 CEAEHN CCCc1ccc([C@H](NC)[C@@H]2CN(C)CCO2)cc1 ZINC000091717702 180232155 /nfs/dbraw/zinc/23/21/55/180232155.db2.gz ADINMKVAKXVBOM-HOTGVXAUSA-N 0 3 262.397 2.230 10 0 CEAEHN CCN[C@@H](c1cccc2cnccc21)[C@@H]1CN(C)CCO1 ZINC000091718730 180233138 /nfs/dbraw/zinc/23/31/38/180233138.db2.gz XQKOMPNYPXGISA-IRXDYDNUSA-N 0 3 285.391 2.216 10 0 CEAEHN CN[C@H](c1cccc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718115 180233676 /nfs/dbraw/zinc/23/36/76/180233676.db2.gz CBCOUXINSFPOIV-DLBZAZTESA-N 0 3 270.376 2.431 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1csc(Cl)c1 ZINC000624238219 350241073 /nfs/dbraw/zinc/24/10/73/350241073.db2.gz MNDZCLGACUIIGS-SFGNSQDASA-N 0 3 261.774 2.202 10 0 CEAEHN CCN[C@H](c1ccccc1OC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721587 180238079 /nfs/dbraw/zinc/23/80/79/180238079.db2.gz RBGIWZZOPKUQDI-KBRIMQKVSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN([C@H](C)COC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091781965 180253685 /nfs/dbraw/zinc/25/36/85/180253685.db2.gz LXWFVAHORWFFAL-MNOVXSKESA-N 0 3 269.341 2.484 10 0 CEAEHN CN[C@@H]1CCCc2sc([C@H]3CN4CCC[C@@H]4CO3)nc21 ZINC000091722540 180241125 /nfs/dbraw/zinc/24/11/25/180241125.db2.gz HWZCTRHRJPKFKX-IJLUTSLNSA-N 0 3 293.436 2.276 10 0 CEAEHN C[NH2+]C1CCC(N(C)C(=O)c2ccc(OC)cc2[O-])CC1 ZINC000091854399 180274526 /nfs/dbraw/zinc/27/45/26/180274526.db2.gz VKQZDBGDEJPOME-UHFFFAOYSA-N 0 3 292.379 2.003 10 0 CEAEHN C[C@@H]1CCCN(C(=O)N[C@@H](CN)c2ccccc2)C1 ZINC000091972829 180296160 /nfs/dbraw/zinc/29/61/60/180296160.db2.gz DQGCNFSYFABYFK-OCCSQVGLSA-N 0 3 261.369 2.128 10 0 CEAEHN CCNCc1nc(C)ccc1OCC(=O)N[C@H](C)C(C)C ZINC000091994952 180301204 /nfs/dbraw/zinc/30/12/04/180301204.db2.gz YCNFRMOGNRLXAC-CYBMUJFWSA-N 0 3 293.411 2.039 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@@H]1CCCC[C@H]1O ZINC000091994813 180301332 /nfs/dbraw/zinc/30/13/32/180301332.db2.gz VZRHPOBSBRXVSN-UKRRQHHQSA-N 0 3 264.369 2.182 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@@H](CC)C(=O)OCC ZINC000091994972 180301397 /nfs/dbraw/zinc/30/13/97/180301397.db2.gz VRBCCODJOKRZPM-ZDUSSCGKSA-N 0 3 280.368 2.220 10 0 CEAEHN CCCNCc1nc(C)ccc1OCC(=O)NCC(C)C ZINC000091995011 180301423 /nfs/dbraw/zinc/30/14/23/180301423.db2.gz ATPOTCHSZJEBBZ-UHFFFAOYSA-N 0 3 293.411 2.041 10 0 CEAEHN CCCNCc1nc(C)ccc1O[C@@H](C)C(=O)OCC ZINC000091995207 180302092 /nfs/dbraw/zinc/30/20/92/180302092.db2.gz XHYRHOOWAREIIJ-LBPRGKRZSA-N 0 3 280.368 2.220 10 0 CEAEHN CCCN(Cc1nc(C)ccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC000091996131 180302436 /nfs/dbraw/zinc/30/24/36/180302436.db2.gz MRLZFYFBEGITBJ-CYBMUJFWSA-N 0 3 263.385 2.060 10 0 CEAEHN C[C@@H](C(=O)Nc1cccc(N)c1)N1C[C@H](C)[C@H](C)C1 ZINC000092080670 180318438 /nfs/dbraw/zinc/31/84/38/180318438.db2.gz ZXTPFUQJPYMFFK-TUAOUCFPSA-N 0 3 261.369 2.184 10 0 CEAEHN CCN[C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccccc1C ZINC000092094116 180323122 /nfs/dbraw/zinc/32/31/22/180323122.db2.gz MIDKKYXEIOZKCZ-VNHYZAJKSA-N 0 3 288.391 2.287 10 0 CEAEHN CN[C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)cc1C ZINC000092094187 180323197 /nfs/dbraw/zinc/32/31/97/180323197.db2.gz HYWWKODOEGOTDY-GUTXKFCHSA-N 0 3 288.391 2.205 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000105872299 186080205 /nfs/dbraw/zinc/08/02/05/186080205.db2.gz FBVRZOHBTPSBRC-ONGXEEELSA-N 0 3 278.306 2.222 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccccc1F ZINC000105872177 186081384 /nfs/dbraw/zinc/08/13/84/186081384.db2.gz GWHWXQLXIVKCIG-QWRGUYRKSA-N 0 3 260.316 2.083 10 0 CEAEHN COc1ccc(C)cc1CNCCn1cc(C)cn1 ZINC000105881333 186083637 /nfs/dbraw/zinc/08/36/37/186083637.db2.gz LCCPOHNBXDKPAX-UHFFFAOYSA-N 0 3 259.353 2.298 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2cccc3cccnc32)C[C@H]1C ZINC000105823279 186074975 /nfs/dbraw/zinc/07/49/75/186074975.db2.gz MUNOEDGZSHNXGU-HUUCEWRRSA-N 0 3 299.418 2.122 10 0 CEAEHN COCCN1CCN(CCCOc2ccccc2)C[C@H]1C ZINC000105832525 186075607 /nfs/dbraw/zinc/07/56/07/186075607.db2.gz COYFMUJJOCUZEX-MRXNPFEDSA-N 0 3 292.423 2.108 10 0 CEAEHN C[C@H](c1ccc(F)cc1)N1CCO[C@H](CN(C)C)C1 ZINC000105924230 186090276 /nfs/dbraw/zinc/09/02/76/186090276.db2.gz VRNJQLJQIBMKNY-IUODEOHRSA-N 0 3 266.360 2.149 10 0 CEAEHN CC(C)Oc1cccc(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000105924705 186090684 /nfs/dbraw/zinc/09/06/84/186090684.db2.gz YDAFJIXXFLMBNJ-KRWDZBQOSA-N 0 3 292.423 2.236 10 0 CEAEHN COc1cccc([C@H](CN)NCc2ccccc2)c1 ZINC000106024189 186098488 /nfs/dbraw/zinc/09/84/88/186098488.db2.gz XYOWXZDDQYHJAD-INIZCTEOSA-N 0 3 256.349 2.485 10 0 CEAEHN O=C1C[C@H](NC[C@@H]2CC=CCC2)C(=O)N1C1CCCC1 ZINC000106257899 186106225 /nfs/dbraw/zinc/10/62/25/186106225.db2.gz YQQSYFYWICHIQG-OCCSQVGLSA-N 0 3 276.380 2.002 10 0 CEAEHN CCCN1CCN(Cc2cccc(NCC)n2)CC1 ZINC000092367914 180370024 /nfs/dbraw/zinc/37/00/24/180370024.db2.gz HKTIKDPRSQSBQJ-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN Cc1ccc(C)c([C@H](C)NC[C@H]2CN(C)CCO2)c1 ZINC000106388091 186112816 /nfs/dbraw/zinc/11/28/16/186112816.db2.gz RHGUNGFEQKEULV-GJZGRUSLSA-N 0 3 262.397 2.285 10 0 CEAEHN Cn1ccnc1[C@H](NC[C@H]1CCCC[C@H]1O)C1CC1 ZINC000251650283 539798147 /nfs/dbraw/zinc/79/81/47/539798147.db2.gz JBOFXTJDPLIBJR-MGPQQGTHSA-N 0 3 263.385 2.012 10 0 CEAEHN COc1ccc2c(c1)[C@H](O)[C@H](N1CCC(OC)CC1)CC2 ZINC000092387766 180374875 /nfs/dbraw/zinc/37/48/75/180374875.db2.gz FXJFKLDZRXRNNN-SJORKVTESA-N 0 3 291.391 2.154 10 0 CEAEHN COc1cccc(CN[C@H](CO)C(C)C)c1OC(F)F ZINC000092392070 180376316 /nfs/dbraw/zinc/37/63/16/180376316.db2.gz SJLMOIZKZFZIKG-LLVKDONJSA-N 0 3 289.322 2.403 10 0 CEAEHN CCOC(=O)[C@@H]1CCCCN1Cc1cc(NC)ccn1 ZINC000092418250 180381361 /nfs/dbraw/zinc/38/13/61/180381361.db2.gz ABTGUUFADWURRP-AWEZNQCLSA-N 0 3 277.368 2.041 10 0 CEAEHN CCC(CC)N(CCOC)Cc1cc(NN)ccn1 ZINC000092421129 180381986 /nfs/dbraw/zinc/38/19/86/180381986.db2.gz MWRYYKLHRFOIFN-UHFFFAOYSA-N 0 3 266.389 2.004 10 0 CEAEHN CCCC[C@@H](C)N[C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000106785138 186135212 /nfs/dbraw/zinc/13/52/12/186135212.db2.gz FKFPNHRDNAEJKG-WOPDTQHZSA-N 0 3 254.374 2.081 10 0 CEAEHN CC[C@H](C)CN[C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000107862980 186195120 /nfs/dbraw/zinc/19/51/20/186195120.db2.gz VJLJIXXQNAJOQJ-GXTWGEPZSA-N 0 3 280.412 2.472 10 0 CEAEHN CN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081781 186242682 /nfs/dbraw/zinc/24/26/82/186242682.db2.gz JQWDKRBOLVVEGB-QWHCGFSZSA-N 0 3 294.345 2.279 10 0 CEAEHN CN[C@@H](Cc1nc(-c2cnccn2)no1)c1ccccc1 ZINC000109507086 186257669 /nfs/dbraw/zinc/25/76/69/186257669.db2.gz VXUNZHQHMPFMHW-LBPRGKRZSA-N 0 3 281.319 2.030 10 0 CEAEHN COc1ccc(CNC2=NC[C@H](C)S2)c(OC)c1 ZINC000109554666 186262607 /nfs/dbraw/zinc/26/26/07/186262607.db2.gz OYHXCUPUBSYEQC-VIFPVBQESA-N 0 3 266.366 2.285 10 0 CEAEHN CN1CCC(Oc2cc(CO)nc3ccccc32)CC1 ZINC000109595138 186265248 /nfs/dbraw/zinc/26/52/48/186265248.db2.gz OQTVRVWLAILWNF-UHFFFAOYSA-N 0 3 272.348 2.200 10 0 CEAEHN CC[C@@H](C(N)=S)N1CCN(C2CCCCC2)CC1 ZINC000109469669 186254007 /nfs/dbraw/zinc/25/40/07/186254007.db2.gz GPDPZTXJOJZHGZ-ZDUSSCGKSA-N 0 3 269.458 2.001 10 0 CEAEHN Cc1ccccc1CN1CCN(C(C)(C)C(N)=S)CC1 ZINC000109471029 186254749 /nfs/dbraw/zinc/25/47/49/186254749.db2.gz XNGCVZDRPYCEKZ-UHFFFAOYSA-N 0 3 291.464 2.177 10 0 CEAEHN CC(C)(C)CCN1CCN(C(C)(C)C(N)=S)CC1 ZINC000109470734 186254876 /nfs/dbraw/zinc/25/48/76/186254876.db2.gz LBEALWPGOIDTFH-UHFFFAOYSA-N 0 3 271.474 2.105 10 0 CEAEHN CCc1nc(N2CC[C@H](N3CCCCC3)C2)sc1CO ZINC000110276274 186289190 /nfs/dbraw/zinc/28/91/90/186289190.db2.gz QXUPECANUCOJEH-LBPRGKRZSA-N 0 3 295.452 2.262 10 0 CEAEHN CC(C)NCc1cnc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000110532684 186301675 /nfs/dbraw/zinc/30/16/75/186301675.db2.gz XYDMOXJIIGROKR-LLVKDONJSA-N 0 3 270.760 2.401 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1OCC(=O)NCC(C)C ZINC000110959967 186336509 /nfs/dbraw/zinc/33/65/09/186336509.db2.gz FBWXCKVGACOBFG-CYBMUJFWSA-N 0 3 278.396 2.426 10 0 CEAEHN Cc1ccc(C[C@@H](CN)C(=O)N2CCCCC2)cc1F ZINC000110974670 186337901 /nfs/dbraw/zinc/33/79/01/186337901.db2.gz ILJQWAMDPPKTMX-AWEZNQCLSA-N 0 3 278.371 2.264 10 0 CEAEHN Cc1ccc(C[C@H](CN)C(=O)NC(C)(C)C)cc1F ZINC000110974643 186338169 /nfs/dbraw/zinc/33/81/69/186338169.db2.gz LZLCHNMNWGUPOF-GFCCVEGCSA-N 0 3 266.360 2.166 10 0 CEAEHN COc1ccc([C@@H](O)[C@@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110736515 186318750 /nfs/dbraw/zinc/31/87/50/186318750.db2.gz UYCYOCGRGPJVDP-CJNGLKHVSA-N 0 3 292.423 2.143 10 0 CEAEHN CC[C@@H]1CN(CCNc2cccc(F)c2)CCN1C ZINC000110757375 186320089 /nfs/dbraw/zinc/32/00/89/186320089.db2.gz DPPIRRGGSSLUAE-OAHLLOKOSA-N 0 3 265.376 2.264 10 0 CEAEHN C[C@H]1CN(Cc2ccc3c(c2)CCCN3)CCN1C ZINC000110762439 186323414 /nfs/dbraw/zinc/32/34/14/186323414.db2.gz CMXXFWOOBLPKSE-ZDUSSCGKSA-N 0 3 259.397 2.181 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](N)C(C)C ZINC000110777605 186323475 /nfs/dbraw/zinc/32/34/75/186323475.db2.gz TYDYCHGBBQDPAQ-JTQLQIEISA-N 0 3 284.381 2.155 10 0 CEAEHN CC1(C)COCCN1[C@H](CN)c1cccc(F)c1F ZINC000111039506 186347257 /nfs/dbraw/zinc/34/72/57/186347257.db2.gz UWASZEKQOOIDLV-GFCCVEGCSA-N 0 3 270.323 2.075 10 0 CEAEHN C[C@H](N)c1ccccc1NS(=O)(=O)C(C)(C)C ZINC000111072191 186351232 /nfs/dbraw/zinc/35/12/32/186351232.db2.gz HUPMERGHJYBKAR-VIFPVBQESA-N 0 3 256.371 2.247 10 0 CEAEHN CCCOCCO[C@@H]1COc2ccccc2[C@H]1NC ZINC000111108053 186353461 /nfs/dbraw/zinc/35/34/61/186353461.db2.gz IXXHZKYPYHSUHW-HUUCEWRRSA-N 0 3 265.353 2.151 10 0 CEAEHN CCOCCN(CC)c1c(CNC(C)(C)C)c(C)nn1C ZINC000111120689 186354519 /nfs/dbraw/zinc/35/45/19/186354519.db2.gz FGZNKEFOIHSPFN-UHFFFAOYSA-N 0 3 296.459 2.479 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1cccc(F)c1F ZINC000111117488 186354932 /nfs/dbraw/zinc/35/49/32/186354932.db2.gz KMFDTOVQWDOYGR-ZDUSSCGKSA-N 0 3 272.339 2.323 10 0 CEAEHN CCOCCN(CC)c1c(CNC(C)C)c(C)nn1C ZINC000111120793 186355690 /nfs/dbraw/zinc/35/56/90/186355690.db2.gz NIQVZSIADGIQBV-UHFFFAOYSA-N 0 3 282.432 2.089 10 0 CEAEHN CN(C)CCCN(C)c1c(F)cc(C=O)cc1F ZINC000111138850 186356949 /nfs/dbraw/zinc/35/69/49/186356949.db2.gz ZYAXSNCCWHRONW-UHFFFAOYSA-N 0 3 256.296 2.165 10 0 CEAEHN CC(C)c1ccc([C@@H](O)CN(C)CCN(C)C)cc1 ZINC000111143154 186359122 /nfs/dbraw/zinc/35/91/22/186359122.db2.gz MEJGNCJZSOJXGQ-INIZCTEOSA-N 0 3 264.413 2.337 10 0 CEAEHN CC[C@H](C)c1nc(C)c(CNCCOC)c(C)n1 ZINC000111275448 186386072 /nfs/dbraw/zinc/38/60/72/186386072.db2.gz JWMGYDAJTOMOTL-JTQLQIEISA-N 0 3 251.374 2.343 10 0 CEAEHN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CN)cn1 ZINC000111281163 186389121 /nfs/dbraw/zinc/38/91/21/186389121.db2.gz ZFTZVLXDDYFKQO-LLVKDONJSA-N 0 3 267.332 2.132 10 0 CEAEHN C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(CN)cn1 ZINC000111282446 186390303 /nfs/dbraw/zinc/39/03/03/186390303.db2.gz KYFALUSONVANAG-LLVKDONJSA-N 0 3 287.338 2.040 10 0 CEAEHN CC(C)c1c(Cl)ncnc1N1CCCN(C)CC1 ZINC000111295568 186391604 /nfs/dbraw/zinc/39/16/04/186391604.db2.gz ZIXVPHRHCGZSTP-UHFFFAOYSA-N 0 3 268.792 2.395 10 0 CEAEHN CCN1CCC[C@@H](NCc2ccc(Br)cn2)C1 ZINC000070396503 363078410 /nfs/dbraw/zinc/07/84/10/363078410.db2.gz OWGPXXJATOGLJT-CYBMUJFWSA-N 0 3 298.228 2.418 10 0 CEAEHN CC[C@@](C)(O)CN(C)Cc1ccc2c(c1)OCO2 ZINC000123051870 187068496 /nfs/dbraw/zinc/06/84/96/187068496.db2.gz ALZWPNUMTXSJNO-CQSZACIVSA-N 0 3 251.326 2.008 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)C1CCOCC1 ZINC000123072484 187069705 /nfs/dbraw/zinc/06/97/05/187069705.db2.gz DGBDHYHDQBSONU-UKRRQHHQSA-N 0 3 284.444 2.142 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cccc(OCCF)c2)C1 ZINC000123187315 187076110 /nfs/dbraw/zinc/07/61/10/187076110.db2.gz JJVBXYYPEZDZII-ZDUSSCGKSA-N 0 3 295.358 2.203 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(Cc2cn(C)nc2C)C1 ZINC000122839373 187054732 /nfs/dbraw/zinc/05/47/32/187054732.db2.gz GBCQGJALHPNIDC-HNNXBMFYSA-N 0 3 287.411 2.325 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC[C@@H](C)N1CCOCC1 ZINC000123354025 187086800 /nfs/dbraw/zinc/08/68/00/187086800.db2.gz ZRZJYZIVACLZEZ-CABCVRRESA-N 0 3 292.423 2.375 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2ccncc2Br)C1 ZINC000631050166 351938585 /nfs/dbraw/zinc/93/85/85/351938585.db2.gz QRIPMAHIHXPXME-GHMZBOCLSA-N 0 3 285.185 2.237 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)CNC2CC2)cc1F ZINC000094956398 539888327 /nfs/dbraw/zinc/88/83/27/539888327.db2.gz JFCSBIWOHNPWAZ-JTQLQIEISA-N 0 3 250.317 2.063 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1nc(C)c(C)s1)N(C)C ZINC000155876257 188232553 /nfs/dbraw/zinc/23/25/53/188232553.db2.gz DBWQXXJHZXSASO-LBPRGKRZSA-N 0 3 283.441 2.149 10 0 CEAEHN CCc1nnc([C@H]2C[N@H+](C[C@H]3CC=CCC3)CCO2)[n-]1 ZINC000156704148 188277706 /nfs/dbraw/zinc/27/77/06/188277706.db2.gz MJZOELYIGNAQLI-QWHCGFSZSA-N 0 3 276.384 2.097 10 0 CEAEHN CCc1nnc([C@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)[n-]1 ZINC000156704148 188277707 /nfs/dbraw/zinc/27/77/07/188277707.db2.gz MJZOELYIGNAQLI-QWHCGFSZSA-N 0 3 276.384 2.097 10 0 CEAEHN CCNC(=O)CN[C@@H]1c2ccccc2CCC1(C)C ZINC000156730587 188277823 /nfs/dbraw/zinc/27/78/23/188277823.db2.gz QHBWFSOAQZFLFR-OAHLLOKOSA-N 0 3 260.381 2.426 10 0 CEAEHN C[C@@H](N)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000158157696 188360329 /nfs/dbraw/zinc/36/03/29/188360329.db2.gz CQMOPLYVJKVDCH-GMSGAONNSA-N 0 3 278.249 2.283 10 0 CEAEHN O=C1NCCCC[C@H]1N[C@H]1COc2ccccc2C1 ZINC000328667271 201999563 /nfs/dbraw/zinc/99/95/63/201999563.db2.gz KRBAPEVSDZLSSV-CHWSQXEVSA-N 0 3 260.337 2.089 10 0 CEAEHN CC[C@@H]1COC(C)(C)CN1C[C@H]1CCC[C@@H](O)C1 ZINC000403965884 540118707 /nfs/dbraw/zinc/11/87/07/540118707.db2.gz OKAUKGXEXYUGJS-BFHYXJOUSA-N 0 3 255.402 2.427 10 0 CEAEHN Cc1csc(C2=C[C@H](N)CN(C(=O)OC(C)(C)C)C2)n1 ZINC000675079413 540119547 /nfs/dbraw/zinc/11/95/47/540119547.db2.gz YPCLEVBBFMLQKH-NSHDSACASA-N 0 3 295.408 2.413 10 0 CEAEHN CC(C)N=[S@](=O)(NC(C)C)c1ccc(N)cc1 ZINC000675075802 540117180 /nfs/dbraw/zinc/11/71/80/540117180.db2.gz RFJFJQDFEHRWKF-UHFFFAOYSA-N 0 3 255.387 2.417 10 0 CEAEHN CN1C[C@@H](NCc2ccc(Br)o2)C(C)(C)C1 ZINC000675076393 540117664 /nfs/dbraw/zinc/11/76/64/540117664.db2.gz VXTNRRIMUPRTLZ-SNVBAGLBSA-N 0 3 287.201 2.472 10 0 CEAEHN CC(C)N1CCN(CCOc2cncc(Cl)c2)CC1 ZINC000675076238 540117688 /nfs/dbraw/zinc/11/76/88/540117688.db2.gz LWWUGRSOOJPHGV-UHFFFAOYSA-N 0 3 283.803 2.140 10 0 CEAEHN C[C@H]1C[C@H](C(=O)N2CCN3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000248534460 291103565 /nfs/dbraw/zinc/10/35/65/291103565.db2.gz GDOGMKXRYRKUOZ-YJNKXOJESA-N 0 3 264.413 2.365 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N(C)c1ccccc1 ZINC000175361025 188947073 /nfs/dbraw/zinc/94/70/73/188947073.db2.gz IFNWYNPMGXIHQY-INIZCTEOSA-N 0 3 289.423 2.066 10 0 CEAEHN ClC(Cl)(Cl)c1nc(CNC2CC2)c[nH]1 ZINC000685959104 540658396 /nfs/dbraw/zinc/65/83/96/540658396.db2.gz JOOAVRQLNBBNLC-UHFFFAOYSA-N 0 3 254.548 2.488 10 0 CEAEHN ClC(Cl)(Cl)c1ncc(CNC2CC2)[nH]1 ZINC000685959104 540658399 /nfs/dbraw/zinc/65/83/99/540658399.db2.gz JOOAVRQLNBBNLC-UHFFFAOYSA-N 0 3 254.548 2.488 10 0 CEAEHN CN(C)C[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccccc1 ZINC000151844888 366669319 /nfs/dbraw/zinc/66/93/19/366669319.db2.gz RDYRIXCXUJJIBX-HOTGVXAUSA-N 0 3 290.407 2.365 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccccc1F ZINC000177025857 189021571 /nfs/dbraw/zinc/02/15/71/189021571.db2.gz HAVBUDYMVFDHBW-AWEZNQCLSA-N 0 3 293.386 2.451 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1ccccc1OC1CCC1 ZINC000236967377 370667973 /nfs/dbraw/zinc/66/79/73/370667973.db2.gz COOMHPVFWWONOF-CQSZACIVSA-N 0 3 276.380 2.362 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@@H]2C1)c1cc(F)ccc1F ZINC000177779309 189068992 /nfs/dbraw/zinc/06/89/92/189068992.db2.gz WPLJFZCWOLBTJC-CZUORRHYSA-N 0 3 296.361 2.168 10 0 CEAEHN CC(=O)Nc1cccc(CN2CCN3CCCC[C@@H]3C2)c1 ZINC000177772691 189068774 /nfs/dbraw/zinc/06/87/74/189068774.db2.gz CRMQNZSMVIAJLO-QGZVFWFLSA-N 0 3 287.407 2.315 10 0 CEAEHN CCn1cc([C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2O)cn1 ZINC000178359028 189109806 /nfs/dbraw/zinc/10/98/06/189109806.db2.gz LNFJEJGDYHLMBR-XZJROXQQSA-N 0 3 271.364 2.212 10 0 CEAEHN Cn1cccc1[C@H]1CCCN1C[C@@H](O)COC(C)(C)C ZINC000178495727 189120878 /nfs/dbraw/zinc/12/08/78/189120878.db2.gz ZNBMKQGEHRGBCE-UKRRQHHQSA-N 0 3 280.412 2.338 10 0 CEAEHN Cc1cccc(C(=O)N2CC[C@@H](N(C)C)C2)c1Cl ZINC000179043965 189164762 /nfs/dbraw/zinc/16/47/62/189164762.db2.gz JEIJUEHHTLGXDO-LLVKDONJSA-N 0 3 266.772 2.425 10 0 CEAEHN O=C(/C=C/c1ccc(Cl)nc1)N1CCN2CCC[C@@H]2C1 ZINC000179343026 189187882 /nfs/dbraw/zinc/18/78/82/189187882.db2.gz GQTUNSUONWVEOX-DIECRNLCSA-N 0 3 291.782 2.055 10 0 CEAEHN CCC[C@@H](C(=O)N1CCc2ccc(OC)cc2C1)N(C)C ZINC000179612101 189207113 /nfs/dbraw/zinc/20/71/13/189207113.db2.gz BHZAFJXYUDFXCB-INIZCTEOSA-N 0 3 290.407 2.310 10 0 CEAEHN Cc1cc(NCC[NH+](C)C)c2cc(C(=O)[O-])ccc2n1 ZINC000004226435 361306441 /nfs/dbraw/zinc/30/64/41/361306441.db2.gz CVOKKAIEMQIFCA-UHFFFAOYSA-N 0 3 273.336 2.215 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@H](C)CS(C)(=O)=O)cc1C ZINC000081902524 363747630 /nfs/dbraw/zinc/74/76/30/363747630.db2.gz UPAQBRVESXLUQA-CHWSQXEVSA-N 0 3 269.410 2.387 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000182100604 189314067 /nfs/dbraw/zinc/31/40/67/189314067.db2.gz PGQFHVYIGAOTAD-YGRLFVJLSA-N 0 3 293.411 2.039 10 0 CEAEHN Cc1ccc(C)c(-c2ccc(N3CCNCC3)nn2)c1 ZINC000011567982 361359721 /nfs/dbraw/zinc/35/97/21/361359721.db2.gz VHALKXGHDDZSCK-UHFFFAOYSA-N 0 3 268.364 2.170 10 0 CEAEHN N[C@H](Cn1ccnc1)c1ccc(Br)cc1 ZINC000011848838 361366481 /nfs/dbraw/zinc/36/64/81/361366481.db2.gz MRZXMUDQTWUEOU-LLVKDONJSA-N 0 3 266.142 2.346 10 0 CEAEHN N[C@@H](Cn1ccnc1)c1cccc(Br)c1 ZINC000011848839 361366657 /nfs/dbraw/zinc/36/66/57/361366657.db2.gz QKXJYJXWDBDHJZ-NSHDSACASA-N 0 3 266.142 2.346 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2ccccc2[nH]1 ZINC000083550326 363778276 /nfs/dbraw/zinc/77/82/76/363778276.db2.gz BUVVPNOBJFYXIM-TZMCWYRMSA-N 0 3 283.375 2.477 10 0 CEAEHN CCC(CC)(CC)CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000154703094 366785127 /nfs/dbraw/zinc/78/51/27/366785127.db2.gz TYCLPPKLMLQPOU-AWEZNQCLSA-N 0 3 299.459 2.175 10 0 CEAEHN C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000155052017 366804677 /nfs/dbraw/zinc/80/46/77/366804677.db2.gz WSEAWEGGFAJTAE-GDBMZVCRSA-N 0 3 294.439 2.278 10 0 CEAEHN OC[C@H]1C[C@H](O)CN1Cc1ccc(-c2ccccc2)cc1 ZINC000184008543 189374066 /nfs/dbraw/zinc/37/40/66/189374066.db2.gz ZTFJYMHWQWBSLS-MSOLQXFVSA-N 0 3 283.371 2.281 10 0 CEAEHN CC/C=C/CCN1CCCN(c2cccnn2)CC1 ZINC000184516573 189388716 /nfs/dbraw/zinc/38/87/16/189388716.db2.gz YZCNOANQOBRXRH-ONEGZZNKSA-N 0 3 260.385 2.345 10 0 CEAEHN Cc1nnc(NC[C@@H]2CCCN2CC(C)C)s1 ZINC000301855153 201233067 /nfs/dbraw/zinc/23/30/67/201233067.db2.gz QVKLRVUXPTYCJZ-NSHDSACASA-N 0 3 254.403 2.379 10 0 CEAEHN C[C@@H](NCC1(O)CCOCC1)c1cc(F)ccc1F ZINC000162282042 541121078 /nfs/dbraw/zinc/12/10/78/541121078.db2.gz LBZULIPUPUZQQC-SNVBAGLBSA-N 0 3 271.307 2.157 10 0 CEAEHN NCc1ccn(-c2ccc(Br)cc2)n1 ZINC000084179233 363800389 /nfs/dbraw/zinc/80/03/89/363800389.db2.gz NMPRBTXRPRRXGK-UHFFFAOYSA-N 0 3 252.115 2.094 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1nn(C)cc1Cl ZINC000335445621 364745509 /nfs/dbraw/zinc/74/55/09/364745509.db2.gz TUSXYCIGYYMNPR-RYUDHWBXSA-N 0 3 282.819 2.132 10 0 CEAEHN CN(CCc1ccccn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909690 364703183 /nfs/dbraw/zinc/70/31/83/364703183.db2.gz PHAVGYMOEBQXHB-MRXNPFEDSA-N 0 3 297.406 2.015 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CCn1cccn1 ZINC000105896055 364703250 /nfs/dbraw/zinc/70/32/50/364703250.db2.gz WDAGZKSNJIFYHM-CQSZACIVSA-N 0 3 273.384 2.071 10 0 CEAEHN Cc1cnn(C[C@@H]2CN(CCC(C)(C)C)CCO2)c1 ZINC000112697928 364829691 /nfs/dbraw/zinc/82/96/91/364829691.db2.gz VSIKRXVGHMQTKK-AWEZNQCLSA-N 0 3 265.401 2.329 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2coc3ccccc23)C1 ZINC000113170046 364873139 /nfs/dbraw/zinc/87/31/39/364873139.db2.gz CLLIIXBGDRRWDA-LLVKDONJSA-N 0 3 258.321 2.209 10 0 CEAEHN C[C@@H](CC1CCCC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000114328154 364936568 /nfs/dbraw/zinc/93/65/68/364936568.db2.gz TWUWPUNLXPLHON-JSGCOSHPSA-N 0 3 252.402 2.365 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117023676 365089528 /nfs/dbraw/zinc/08/95/28/365089528.db2.gz JUHQSMAZNBDVJU-LSDHHAIUSA-N 0 3 299.459 2.173 10 0 CEAEHN CCc1ccccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000118794074 365180491 /nfs/dbraw/zinc/18/04/91/365180491.db2.gz VIJKSKJEDAJRIL-AWEZNQCLSA-N 0 3 291.395 2.043 10 0 CEAEHN COc1ccc2c(C)nc(N3CCN4CCC[C@H]4C3)nc2c1 ZINC000244701270 370795388 /nfs/dbraw/zinc/79/53/88/370795388.db2.gz KDESNRZSJXXJNE-ZDUSSCGKSA-N 0 3 298.390 2.231 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)CC(C)(C)OC)N(C)C ZINC000120286267 365402093 /nfs/dbraw/zinc/40/20/93/365402093.db2.gz LTFFDFSAENWEHM-NEPJUHHUSA-N 0 3 258.406 2.037 10 0 CEAEHN CCn1cc(C2CCN(CC[C@@H]3CCOC3=O)CC2)cn1 ZINC000120351873 365410929 /nfs/dbraw/zinc/41/09/29/365410929.db2.gz JOYCMCSPKFDKDX-CQSZACIVSA-N 0 3 291.395 2.036 10 0 CEAEHN CN(C)C[C@H]1CN(CCCC2CCCC2)CCO1 ZINC000120611040 365450421 /nfs/dbraw/zinc/45/04/21/365450421.db2.gz NAEACGXOIBTNDE-HNNXBMFYSA-N 0 3 254.418 2.219 10 0 CEAEHN Cc1cnn(CCCCCN2[C@H](C)COC[C@H]2C)c1 ZINC000120955204 365502317 /nfs/dbraw/zinc/50/23/17/365502317.db2.gz QOUQVIHQPHSVMV-HUUCEWRRSA-N 0 3 265.401 2.471 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCO2)N(C)C ZINC000161551083 367096926 /nfs/dbraw/zinc/09/69/26/367096926.db2.gz ZUFXQPYELKZQAR-DGCLKSJQSA-N 0 3 292.379 2.323 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc(OC(C)C)nc1)N(C)C ZINC000161610390 367101116 /nfs/dbraw/zinc/10/11/16/367101116.db2.gz CBOZTFIEFPOQTE-AWEZNQCLSA-N 0 3 293.411 2.215 10 0 CEAEHN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000245527655 370833834 /nfs/dbraw/zinc/83/38/34/370833834.db2.gz QDMAHKFJIPNBET-GRYCIOLGSA-N 0 3 282.409 2.035 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1COc2ccccc21 ZINC000245427808 370818660 /nfs/dbraw/zinc/81/86/60/370818660.db2.gz IBDYPMUJHKJLQJ-ZFWWWQNUSA-N 0 3 288.391 2.105 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](C)Oc1ccc(F)cc1)N(C)C ZINC000162328200 367151499 /nfs/dbraw/zinc/15/14/99/367151499.db2.gz CKEDQGIKFNXEMF-WFASDCNBSA-N 0 3 296.386 2.440 10 0 CEAEHN Cc1nn(C)c2ncc(CN(C)CCc3ccccn3)cc12 ZINC000162406931 367157663 /nfs/dbraw/zinc/15/76/63/367157663.db2.gz PWNCMAUFAOSXFZ-UHFFFAOYSA-N 0 3 295.390 2.346 10 0 CEAEHN CCc1noc([C@@H](C)N(C)C[C@H]2CCCN2CC)n1 ZINC000245479702 370827123 /nfs/dbraw/zinc/82/71/23/370827123.db2.gz WOEKWPSFNSQNGS-VXGBXAGGSA-N 0 3 266.389 2.109 10 0 CEAEHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@@H](O)COC(C)(C)C ZINC000245630378 370851740 /nfs/dbraw/zinc/85/17/40/370851740.db2.gz ZRWOVEYSSDXVGG-KGLIPLIRSA-N 0 3 295.427 2.339 10 0 CEAEHN O=C([C@@H](c1ccccc1)C1CC1)N1CCN2CCC[C@H]2C1 ZINC000245671568 370855414 /nfs/dbraw/zinc/85/54/14/370855414.db2.gz CYZISYGVWUWABM-IRXDYDNUSA-N 0 3 284.403 2.487 10 0 CEAEHN CC(C)COCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000167612066 367341056 /nfs/dbraw/zinc/34/10/56/367341056.db2.gz DBTWEOKFMJOICM-HUUCEWRRSA-N 0 3 254.418 2.218 10 0 CEAEHN Cc1ccccc1C[C@H](C)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170831944 367427468 /nfs/dbraw/zinc/42/74/68/367427468.db2.gz BXOHCNPIORTTLX-GOEBONIOSA-N 0 3 289.423 2.272 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000170806649 367420384 /nfs/dbraw/zinc/42/03/84/367420384.db2.gz BTDGIXBYCFABGV-BMFZPTHFSA-N 0 3 287.407 2.359 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)C1 ZINC000170865406 367436220 /nfs/dbraw/zinc/43/62/20/367436220.db2.gz INHPERMHVGHVCK-JTQLQIEISA-N 0 3 286.828 2.497 10 0 CEAEHN CCCc1nc(C)c(C(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000170866282 367436288 /nfs/dbraw/zinc/43/62/88/367436288.db2.gz OMXQHPUDVYFWSJ-LLVKDONJSA-N 0 3 281.425 2.180 10 0 CEAEHN CCn1c(C)cc(C(=O)N2CCN3CCC[C@@H]3C2)c1C ZINC000171279199 367512462 /nfs/dbraw/zinc/51/24/62/367512462.db2.gz LUWKPEZJEDKJAH-CQSZACIVSA-N 0 3 275.396 2.045 10 0 CEAEHN Cn1cc(C(=O)N2CCN3CCC[C@H]3C2)c2ccccc21 ZINC000171584972 367571922 /nfs/dbraw/zinc/57/19/22/367571922.db2.gz XLUGQZRTYDFRQC-ZDUSSCGKSA-N 0 3 283.375 2.099 10 0 CEAEHN O=C(N1CCN2CCC[C@@H]2C1)C1(c2ccccc2)CC1 ZINC000171567263 367568540 /nfs/dbraw/zinc/56/85/40/367568540.db2.gz YUVCZXCAEIKCHI-OAHLLOKOSA-N 0 3 270.376 2.025 10 0 CEAEHN C[C@H](c1cccc(F)c1)N1CCO[C@H](CN(C)C)C1 ZINC000171635950 367582346 /nfs/dbraw/zinc/58/23/46/367582346.db2.gz IRBCCNVQGVMGNS-IUODEOHRSA-N 0 3 266.360 2.149 10 0 CEAEHN COCc1ccccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000171889346 367634651 /nfs/dbraw/zinc/63/46/51/367634651.db2.gz XDKDAMUPPPBOHK-AWEZNQCLSA-N 0 3 289.379 2.145 10 0 CEAEHN CC[C@H](O)CN1CCN([C@H](C)CCc2ccccc2)CC1 ZINC000172355760 367724884 /nfs/dbraw/zinc/72/48/84/367724884.db2.gz JEQDNCKYCWVYGO-AEFFLSMTSA-N 0 3 290.451 2.396 10 0 CEAEHN C[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1cccc(F)c1 ZINC000173500192 367917027 /nfs/dbraw/zinc/91/70/27/367917027.db2.gz HEWLNRWHWXXLEG-FZMZJTMJSA-N 0 3 264.344 2.092 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000175341657 368127464 /nfs/dbraw/zinc/12/74/64/368127464.db2.gz IFYRSLQWLLHXRJ-CYBMUJFWSA-N 0 3 294.395 2.291 10 0 CEAEHN CCCCCNC(=O)N(C)C[C@H]1CCCN1CC ZINC000176367756 368230123 /nfs/dbraw/zinc/23/01/23/368230123.db2.gz UGCWVPTWSNNSMA-CYBMUJFWSA-N 0 3 255.406 2.302 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)c(F)cc1F ZINC000176288993 368219890 /nfs/dbraw/zinc/21/98/90/368219890.db2.gz RMTXHWOSAHDZGA-SNVBAGLBSA-N 0 3 268.307 2.049 10 0 CEAEHN Cc1cccnc1CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180476014 368383332 /nfs/dbraw/zinc/38/33/32/368383332.db2.gz SGXVYPYSWMIJGJ-OAHLLOKOSA-N 0 3 297.406 2.281 10 0 CEAEHN c1nc2n(n1)C[C@@H](N[C@H]1CCCOc3ccccc31)CC2 ZINC000180581554 368388015 /nfs/dbraw/zinc/38/80/15/368388015.db2.gz DBTNAFRVHFBHII-JSGCOSHPSA-N 0 3 284.363 2.096 10 0 CEAEHN C[C@H](NCC[C@@H]1CCOC1=O)c1ccc2c(c1)OCCO2 ZINC000181752794 368492348 /nfs/dbraw/zinc/49/23/48/368492348.db2.gz XKFUANIUKDGTBQ-NWDGAFQWSA-N 0 3 291.347 2.062 10 0 CEAEHN CCC[C@H](C)CS(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246067459 370904601 /nfs/dbraw/zinc/90/46/01/370904601.db2.gz DSRPJSRPQOTIGV-BFHYXJOUSA-N 0 3 290.473 2.071 10 0 CEAEHN CCC[C@@H](N[C@@H]1CCc2ncnn2C1)c1cccnc1 ZINC000185993425 368901427 /nfs/dbraw/zinc/90/14/27/368901427.db2.gz QCDBBCOJOMXKBL-ZIAGYGMSSA-N 0 3 271.368 2.119 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2cncc(C)c2)C12CCOCC2 ZINC000186435713 368973902 /nfs/dbraw/zinc/97/39/02/368973902.db2.gz WZZPSSODXLETNE-HOTGVXAUSA-N 0 3 290.407 2.454 10 0 CEAEHN CCC[C@@H](C(=O)NCC1(OC)CCCCC1)N(C)C ZINC000186348024 368961496 /nfs/dbraw/zinc/96/14/96/368961496.db2.gz GLUYHGMNJXUZLB-ZDUSSCGKSA-N 0 3 270.417 2.182 10 0 CEAEHN Cc1ccc(CN2CCC[C@H](Cn3cncn3)C2)c(C)n1 ZINC000187042788 369091089 /nfs/dbraw/zinc/09/10/89/369091089.db2.gz LKIQETSVYLIYHR-HNNXBMFYSA-N 0 3 285.395 2.202 10 0 CEAEHN Cc1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000246512160 370971543 /nfs/dbraw/zinc/97/15/43/370971543.db2.gz QSDVWPOONQCNSA-WBVHZDCISA-N 0 3 274.408 2.148 10 0 CEAEHN Cc1nc(Cl)ccc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246597266 370982576 /nfs/dbraw/zinc/98/25/76/370982576.db2.gz GZQMVRXHNNGSLI-PWSUYJOCSA-N 0 3 293.798 2.352 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H]1CCC=CO1 ZINC000193580451 284163808 /nfs/dbraw/zinc/16/38/08/284163808.db2.gz FUJIBLNRUMOTIZ-AJNGGQMLSA-N 0 3 279.380 2.485 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCSC ZINC000246357257 284167273 /nfs/dbraw/zinc/16/72/73/284167273.db2.gz XPANLDUYMLRUMK-TUAOUCFPSA-N 0 3 257.399 2.156 10 0 CEAEHN C[C@H](CNCc1sccc1Cl)N1CCOCC1 ZINC000192994213 369880078 /nfs/dbraw/zinc/88/00/78/369880078.db2.gz NOKKEOXWQJJBAT-SNVBAGLBSA-N 0 3 274.817 2.212 10 0 CEAEHN C=Cn1cc(CN[C@H](CN(C)C)c2ccccc2)cn1 ZINC000194343316 370027890 /nfs/dbraw/zinc/02/78/90/370027890.db2.gz VRXHCXPGBILTDF-MRXNPFEDSA-N 0 3 270.380 2.376 10 0 CEAEHN C=Cn1cc(CN[C@@H](CN(C)C)c2ccccc2)cn1 ZINC000194343302 370028415 /nfs/dbraw/zinc/02/84/15/370028415.db2.gz VRXHCXPGBILTDF-INIZCTEOSA-N 0 3 270.380 2.376 10 0 CEAEHN CCC1CCC(NC(=O)[C@@]2(COC)CCCCN2)CC1 ZINC000637916139 370168209 /nfs/dbraw/zinc/16/82/09/370168209.db2.gz ATRNXQZIUMSXIO-XUJLQICISA-N 0 3 282.428 2.230 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000195441882 370130872 /nfs/dbraw/zinc/13/08/72/370130872.db2.gz PNIJYUADVRZZOW-GFCCVEGCSA-N 0 3 276.771 2.345 10 0 CEAEHN CC(C)(C)OC(=O)NCC(C)(C)NCc1cccnc1 ZINC000221048856 370235673 /nfs/dbraw/zinc/23/56/73/370235673.db2.gz YOZSQZWOJWSRGB-UHFFFAOYSA-N 0 3 279.384 2.475 10 0 CEAEHN CN1CCO[C@H](CN[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000227558759 370373804 /nfs/dbraw/zinc/37/38/04/370373804.db2.gz PJRFBFWLIYTPHJ-CVEARBPZSA-N 0 3 278.371 2.197 10 0 CEAEHN CCN1CCN(c2ccc(N)cc2NC(=O)C(C)C)CC1 ZINC000226258343 370332790 /nfs/dbraw/zinc/33/27/90/370332790.db2.gz QMZJCFBYUPQBKR-UHFFFAOYSA-N 0 3 290.411 2.005 10 0 CEAEHN CCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(N)c1 ZINC000226262935 370333491 /nfs/dbraw/zinc/33/34/91/370333491.db2.gz NZOAPHPXXOGCKB-UHFFFAOYSA-N 0 3 290.411 2.149 10 0 CEAEHN Cc1c(CNC[C@@H](C)c2nccs2)cnn1C ZINC000230693442 370464780 /nfs/dbraw/zinc/46/47/80/370464780.db2.gz QZIFRFNVVIZTPU-SECBINFHSA-N 0 3 250.371 2.078 10 0 CEAEHN CCOC(=O)COCCN[C@@H](C)c1ccccc1C ZINC000233679750 370520688 /nfs/dbraw/zinc/52/06/88/370520688.db2.gz SAWRNQZOJFOEAT-ZDUSSCGKSA-N 0 3 265.353 2.225 10 0 CEAEHN CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc([O-])ccc1Cl ZINC000234344763 370534896 /nfs/dbraw/zinc/53/48/96/370534896.db2.gz IOHOSGVDDUVJFD-SNVBAGLBSA-N 0 3 282.771 2.069 10 0 CEAEHN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc([O-])ccc1Cl ZINC000234344763 370534899 /nfs/dbraw/zinc/53/48/99/370534899.db2.gz IOHOSGVDDUVJFD-SNVBAGLBSA-N 0 3 282.771 2.069 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1nc(-c2cccs2)ns1 ZINC000236817702 370634585 /nfs/dbraw/zinc/63/45/85/370634585.db2.gz DGNYCOGFSFGOET-SSDOTTSWSA-N 0 3 282.394 2.333 10 0 CEAEHN C[C@H]1CC(F)(F)CCN1C(=O)[C@@]1(C)CCCCN1 ZINC000638630425 370643477 /nfs/dbraw/zinc/64/34/77/370643477.db2.gz MJVGVNGIZONEGR-CMPLNLGQSA-N 0 3 260.328 2.165 10 0 CEAEHN Cc1nnsc1CNCC1C[C@@H](C)O[C@H](C)C1 ZINC000639134405 371012299 /nfs/dbraw/zinc/01/22/99/371012299.db2.gz ADFZQCQRRDBYQY-RKDXNWHRSA-N 0 3 255.387 2.140 10 0 CEAEHN CCCSCC(=O)N1C[C@H]2CCCN2C[C@H]1CC ZINC000246963465 371038616 /nfs/dbraw/zinc/03/86/16/371038616.db2.gz MVHVDTSXGPSLHL-CHWSQXEVSA-N 0 3 270.442 2.215 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nc(-c2ccccc2)no1 ZINC000247123905 371068238 /nfs/dbraw/zinc/06/82/38/371068238.db2.gz JDZSAMYJKPRQQI-ZFWWWQNUSA-N 0 3 298.390 2.405 10 0 CEAEHN COc1cc(C)sc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000247124193 371068354 /nfs/dbraw/zinc/06/83/54/371068354.db2.gz ZCDHRRZOCPRPCW-ZYHUDNBSSA-N 0 3 294.420 2.374 10 0 CEAEHN CC[C@H](OC1CCCC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000247135152 371069257 /nfs/dbraw/zinc/06/92/57/371069257.db2.gz XLOPTFOIFNYPJC-ZFWWWQNUSA-N 0 3 280.412 2.031 10 0 CEAEHN COc1cccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000247344213 371096274 /nfs/dbraw/zinc/09/62/74/371096274.db2.gz NSCXNPVZLYXJOM-SWLSCSKDSA-N 0 3 276.380 2.154 10 0 CEAEHN Cc1noc(Cl)c1CC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247440396 371108008 /nfs/dbraw/zinc/10/80/08/371108008.db2.gz RYMDHMLAEVYGND-SKDRFNHKSA-N 0 3 299.802 2.024 10 0 CEAEHN CCN1CCCC[C@@H]1CNC(=O)N1CCS[C@@H](C)C1 ZINC000247510606 371119069 /nfs/dbraw/zinc/11/90/69/371119069.db2.gz PMNXKHXLXJIWHN-QWHCGFSZSA-N 0 3 285.457 2.008 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H](C)C2)C1 ZINC000247506885 371119085 /nfs/dbraw/zinc/11/90/85/371119085.db2.gz VJWWBUHZHBHBOA-MCIONIFRSA-N 0 3 252.402 2.413 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1Cc1cncs1 ZINC000248416530 371189285 /nfs/dbraw/zinc/18/92/85/371189285.db2.gz PSSCEFZBHGZHEK-RYUDHWBXSA-N 0 3 251.399 2.202 10 0 CEAEHN c1cc(CCN2CCN3CCCC[C@H]3C2)cc2c1OCC2 ZINC000248344774 371177657 /nfs/dbraw/zinc/17/76/57/371177657.db2.gz LZSQAFJLWGXBRS-KRWDZBQOSA-N 0 3 286.419 2.334 10 0 CEAEHN C[C@H](Cc1ccccc1)CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248618623 371223774 /nfs/dbraw/zinc/22/37/74/371223774.db2.gz ZQMCRYPJURWHSG-IKGGRYGDSA-N 0 3 290.451 2.252 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@H]1c1cccn1C ZINC000248653873 371232053 /nfs/dbraw/zinc/23/20/53/371232053.db2.gz OZUSJNOMOKAGPJ-HOCLYGCPSA-N 0 3 280.412 2.340 10 0 CEAEHN CC[C@H](C(=O)OC(C)(C)C)N1CCN2CCCC[C@H]2C1 ZINC000248916243 371270700 /nfs/dbraw/zinc/27/07/00/371270700.db2.gz ZUXARIZNKXZBGB-UONOGXRCSA-N 0 3 282.428 2.277 10 0 CEAEHN Cc1cnn([C@H]2CCCN(C[C@@H](O)CC(F)(F)F)C2)c1 ZINC000248965120 371274724 /nfs/dbraw/zinc/27/47/24/371274724.db2.gz HCAQTUOMLGHCIJ-RYUDHWBXSA-N 0 3 291.317 2.142 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](C)CC2)C1 ZINC000249815720 371364838 /nfs/dbraw/zinc/36/48/38/371364838.db2.gz BOTBYRRZCWYDTK-KGLIPLIRSA-N 0 3 267.417 2.302 10 0 CEAEHN CCO[C@H](C(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000250640766 371388043 /nfs/dbraw/zinc/38/80/43/371388043.db2.gz UAQNUJPXBIJBIH-CVEARBPZSA-N 0 3 290.407 2.365 10 0 CEAEHN CSc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000252663487 371463741 /nfs/dbraw/zinc/46/37/41/371463741.db2.gz JRXCQFURWSMNHQ-WDEREUQCSA-N 0 3 282.409 2.460 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N(C)C ZINC000252735896 371475468 /nfs/dbraw/zinc/47/54/68/371475468.db2.gz RZUNSTMQLSIINQ-TUVASFSCSA-N 0 3 294.439 2.181 10 0 CEAEHN CC(C)C[C@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000262177032 371834272 /nfs/dbraw/zinc/83/42/72/371834272.db2.gz YWCCBKQRFRVFFR-UKRRQHHQSA-N 0 3 282.428 2.025 10 0 CEAEHN CCC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)CC(=O)[O-])CC1 ZINC000263520208 371940128 /nfs/dbraw/zinc/94/01/28/371940128.db2.gz QNBNJACQFIJSLO-KGLIPLIRSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@@H](C)C[N@H+]1CCC[C@H](N(C)CC(=O)[O-])CC1 ZINC000263520208 371940132 /nfs/dbraw/zinc/94/01/32/371940132.db2.gz QNBNJACQFIJSLO-KGLIPLIRSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@@H](C)CN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263520208 371940135 /nfs/dbraw/zinc/94/01/35/371940135.db2.gz QNBNJACQFIJSLO-KGLIPLIRSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@@H](C)CN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263520208 371940137 /nfs/dbraw/zinc/94/01/37/371940137.db2.gz QNBNJACQFIJSLO-KGLIPLIRSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000262701023 371899128 /nfs/dbraw/zinc/89/91/28/371899128.db2.gz HYFUJMMVURWBMM-FRRDWIJNSA-N 0 3 270.417 2.071 10 0 CEAEHN NCc1cn(CCc2cc(Cl)cc(Cl)c2)nn1 ZINC000641141294 372340284 /nfs/dbraw/zinc/34/02/84/372340284.db2.gz JTHHLULTTXQHHT-UHFFFAOYSA-N 0 3 271.151 2.286 10 0 CEAEHN CCN1CC[C@H](N[C@H](C)c2c(C)nn(CC)c2C)C1 ZINC000389283658 375302298 /nfs/dbraw/zinc/30/22/98/375302298.db2.gz VIEWRJIFOCTDGP-RISCZKNCSA-N 0 3 264.417 2.265 10 0 CEAEHN C[C@@H]1C[C@@H](CNCc2ccc(CO)o2)C[C@H](C)O1 ZINC000282391585 375472950 /nfs/dbraw/zinc/47/29/50/375472950.db2.gz YAMYZSRASDVWLJ-ZSBIGDGJSA-N 0 3 253.342 2.065 10 0 CEAEHN COc1cccc(CNCC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000282180748 375422113 /nfs/dbraw/zinc/42/21/13/375422113.db2.gz JZAQFQXAKQXKMD-VXGBXAGGSA-N 0 3 264.369 2.383 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)cc1 ZINC000282257843 375442179 /nfs/dbraw/zinc/44/21/79/375442179.db2.gz GWUKYLQIQMUHMF-BXKDBHETSA-N 0 3 252.745 2.097 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cc(F)cc(Cl)c1 ZINC000282410473 375477812 /nfs/dbraw/zinc/47/78/12/375477812.db2.gz QEOJNXYIGATAIR-QPUJVOFHSA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccc(F)cc1F ZINC000282460333 375490012 /nfs/dbraw/zinc/49/00/12/375490012.db2.gz TWKIKUBRHVZMLD-MWODSPESSA-N 0 3 268.307 2.283 10 0 CEAEHN Clc1cc(OC2CNC2)ccc1Br ZINC000307322345 376563266 /nfs/dbraw/zinc/56/32/66/376563266.db2.gz YTFQNIHZHBCROH-UHFFFAOYSA-N 0 3 262.534 2.453 10 0 CEAEHN OCC[C@@H]1CSCCN1C[C@@H]1Cc2ccccc21 ZINC000347051500 218106789 /nfs/dbraw/zinc/10/67/89/218106789.db2.gz KLRUGXZZBXLVHN-UONOGXRCSA-N 0 3 263.406 2.126 10 0 CEAEHN CN(CCN1CCOCC1(C)C)Cc1ccc(F)cc1 ZINC000181658729 542275102 /nfs/dbraw/zinc/27/51/02/542275102.db2.gz STPICTHAVKOZML-UHFFFAOYSA-N 0 3 280.387 2.368 10 0 CEAEHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)COCc1ccccc1 ZINC000183045563 542286131 /nfs/dbraw/zinc/28/61/31/542286131.db2.gz FAHUJHWHMCOEDJ-UONOGXRCSA-N 0 3 299.436 2.005 10 0 CEAEHN CCN(C(=O)CN[C@H](C)[C@H]1CCCO1)C1CCCCC1 ZINC000183086275 542286417 /nfs/dbraw/zinc/28/64/17/542286417.db2.gz QWWNWGNJBNGHRU-UKRRQHHQSA-N 0 3 282.428 2.325 10 0 CEAEHN CNC(=O)[C@H](NCCOc1ccc(Cl)cc1)C(C)C ZINC000183655581 542294179 /nfs/dbraw/zinc/29/41/79/542294179.db2.gz LYVLEDQNBGDVBO-CYBMUJFWSA-N 0 3 284.787 2.079 10 0 CEAEHN CC(C)(CO)NC[C@H](O)c1cc(Cl)ccc1Cl ZINC000037888259 184542787 /nfs/dbraw/zinc/54/27/87/184542787.db2.gz KTWDQDRGGKYFEC-NSHDSACASA-N 0 3 278.179 2.387 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1coc(C2CCC2)n1 ZINC000194551896 542361200 /nfs/dbraw/zinc/36/12/00/542361200.db2.gz OTGDFDHPUSQYKG-ZDUSSCGKSA-N 0 3 291.395 2.498 10 0 CEAEHN CCc1nnc(CN2C[C@H]3CCCCN3C[C@H]2C)s1 ZINC000392061661 542375158 /nfs/dbraw/zinc/37/51/58/542375158.db2.gz CSPLROMTEUZPBT-VXGBXAGGSA-N 0 3 280.441 2.159 10 0 CEAEHN CCOc1ccc2nc([C@]3(C)COC[C@H]3N)sc2c1 ZINC000093421623 184673718 /nfs/dbraw/zinc/67/37/18/184673718.db2.gz CSOJXUDQUIMYSM-TZMCWYRMSA-N 0 3 278.377 2.310 10 0 CEAEHN O=C1CCC[C@@H]1[C@@H]1CCCN1CCOC(F)(F)F ZINC000093450140 184676354 /nfs/dbraw/zinc/67/63/54/184676354.db2.gz MFUZYESUKJQVEY-ZJUUUORDSA-N 0 3 265.275 2.356 10 0 CEAEHN CCCN[C@H](C)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000081921156 177895354 /nfs/dbraw/zinc/89/53/54/177895354.db2.gz ZYJDENCGZLFLLT-MNOVXSKESA-N 0 3 273.373 2.376 10 0 CEAEHN CCC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC ZINC000081922063 177895146 /nfs/dbraw/zinc/89/51/46/177895146.db2.gz JFYKRHURVSOVBS-ZDUSSCGKSA-N 0 3 269.410 2.465 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1N1CCN(CC2CCCCC2)CC1 ZINC000305444951 285310716 /nfs/dbraw/zinc/31/07/16/285310716.db2.gz OTHYPRFQFWMERJ-DLBZAZTESA-N 0 3 280.456 2.488 10 0 CEAEHN CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H](N2CCC[C@@H]2C)C1 ZINC000093747955 184713120 /nfs/dbraw/zinc/71/31/20/184713120.db2.gz UUSZWOOKYGDBMO-GZBFAFLISA-N 0 3 268.401 2.235 10 0 CEAEHN CCN[C@H](c1ccccc1OC)[C@@H]1CN(C(C)C)CCO1 ZINC000093927392 184744707 /nfs/dbraw/zinc/74/47/07/184744707.db2.gz UNZVRSQRTYPXPG-DLBZAZTESA-N 0 3 292.423 2.455 10 0 CEAEHN Cc1ccc(S(=O)(=O)[C@H]2CCC(C)(C)[C@H]2N)cc1 ZINC000094310980 184778522 /nfs/dbraw/zinc/77/85/22/184778522.db2.gz RMULFDRCGYOEIW-STQMWFEESA-N 0 3 267.394 2.285 10 0 CEAEHN COCCOc1c(F)cc(CNC(C)C)cc1F ZINC000094347360 184786231 /nfs/dbraw/zinc/78/62/31/184786231.db2.gz JJKLDWXLOHFSSB-UHFFFAOYSA-N 0 3 259.296 2.488 10 0 CEAEHN CN[C@H](c1ncccc1C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642006 184832569 /nfs/dbraw/zinc/83/25/69/184832569.db2.gz XXZKPVHNYIYQST-YDHLFZDLSA-N 0 3 296.436 2.254 10 0 CEAEHN CCC(CC)[C@H](O)C1(N2CCOCC2)CCCC1 ZINC000094676341 184838948 /nfs/dbraw/zinc/83/89/48/184838948.db2.gz UZVUNSQXQYEKKC-AWEZNQCLSA-N 0 3 255.402 2.429 10 0 CEAEHN CCN[C@H](c1ccc(Cl)s1)[C@H]1CN2CCN1CC2 ZINC000094936044 184896348 /nfs/dbraw/zinc/89/63/48/184896348.db2.gz BBZWYYUEFSOPIA-MFKMUULPSA-N 0 3 285.844 2.052 10 0 CEAEHN C[C@H](c1c(F)cccc1F)N1CCO[C@H](CN(C)C)C1 ZINC000105927945 299619283 /nfs/dbraw/zinc/61/92/83/299619283.db2.gz DPPGXZSLFKKZJO-VXGBXAGGSA-N 0 3 284.350 2.288 10 0 CEAEHN C[C@H](NC[C@H]1CCCC[C@H]1O)c1ccc(F)cn1 ZINC000251581003 131130536 /nfs/dbraw/zinc/13/05/36/131130536.db2.gz WCWDCHRMTPQYID-MISXGVKJSA-N 0 3 252.333 2.422 10 0 CEAEHN CCC[C@](C)(N)C(=O)Nc1cccc(C[S@@](C)=O)c1C ZINC000262646659 131245991 /nfs/dbraw/zinc/24/59/91/131245991.db2.gz SEXHYXUDIAKBDJ-MGPUTAFESA-N 0 3 296.436 2.330 10 0 CEAEHN CC[C@H]1CNCCN1c1ncccc1Br ZINC000082476636 135007434 /nfs/dbraw/zinc/00/74/34/135007434.db2.gz RSSKNVDTLXLSNR-VIFPVBQESA-N 0 3 270.174 2.032 10 0 CEAEHN CC[C@H]1CNCCN1c1ccc(Br)cn1 ZINC000082476598 135007491 /nfs/dbraw/zinc/00/74/91/135007491.db2.gz XXLXEZCADHROCY-JTQLQIEISA-N 0 3 270.174 2.032 10 0 CEAEHN COc1cc(N2CCNC[C@H]2C)c(OC)cc1Cl ZINC000083517932 135026838 /nfs/dbraw/zinc/02/68/38/135026838.db2.gz VIVDRCSDDFRPAT-SECBINFHSA-N 0 3 270.760 2.155 10 0 CEAEHN N[C@H]1CCCN(c2c(Cl)cccc2Cl)C1=O ZINC000083848967 135031329 /nfs/dbraw/zinc/03/13/29/135031329.db2.gz DFKLJVHUSWAYCC-VIFPVBQESA-N 0 3 259.136 2.448 10 0 CEAEHN CCOc1ccc(OCC)c(N2CCN[C@H](C)C2)c1 ZINC000086123635 135039365 /nfs/dbraw/zinc/03/93/65/135039365.db2.gz HLMJOQMZSRKCKF-GFCCVEGCSA-N 0 3 264.369 2.282 10 0 CEAEHN N=C(N)c1cc(N2CCC[C@H](C(F)(F)F)C2)ccn1 ZINC000088421418 135054778 /nfs/dbraw/zinc/05/47/78/135054778.db2.gz YMQIDNIIGFLZBZ-QMMMGPOBSA-N 0 3 272.274 2.144 10 0 CEAEHN C[C@@H]1CC[C@H](C)CN1c1ccc(CNC2CC2)nn1 ZINC000088710959 135056572 /nfs/dbraw/zinc/05/65/72/135056572.db2.gz IFJZAKXCVQDDEL-NWDGAFQWSA-N 0 3 260.385 2.353 10 0 CEAEHN C[C@@H](N)c1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906376 135065961 /nfs/dbraw/zinc/06/59/61/135065961.db2.gz YBIHWMHKKZCQBM-JLLWLGSASA-N 0 3 250.317 2.213 10 0 CEAEHN C[C@H]1CSCCN1c1cncc(CNC(C)(C)C)n1 ZINC000091421832 135069452 /nfs/dbraw/zinc/06/94/52/135069452.db2.gz HYSISHNHEDTTCB-NSHDSACASA-N 0 3 280.441 2.306 10 0 CEAEHN C[C@H]1CCc2ccccc2N1c1cncc(CN)n1 ZINC000091418479 135069579 /nfs/dbraw/zinc/06/95/79/135069579.db2.gz ACJCBUXQZLEQFW-NSHDSACASA-N 0 3 254.337 2.408 10 0 CEAEHN COC(=O)[C@H](C)[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000093036272 135078452 /nfs/dbraw/zinc/07/84/52/135078452.db2.gz LDLVIANOGQFRGL-KGLIPLIRSA-N 0 3 276.380 2.006 10 0 CEAEHN CCCCOC[C@H](O)CN(CC)Cc1ccncc1 ZINC000227906098 394474543 /nfs/dbraw/zinc/47/45/43/394474543.db2.gz YCBARZLZBNTVLM-OAHLLOKOSA-N 0 3 266.385 2.081 10 0 CEAEHN C[C@H](c1ccccn1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000246157652 394510134 /nfs/dbraw/zinc/51/01/34/394510134.db2.gz IHSZQBJEOIDYLR-CHWSQXEVSA-N 0 3 256.353 2.366 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCc2ccccc2F)C1 ZINC000052500720 394558202 /nfs/dbraw/zinc/55/82/02/394558202.db2.gz RTWYVPRVYHFDJN-AWEZNQCLSA-N 0 3 293.386 2.152 10 0 CEAEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCO[C@H]1C ZINC000253278605 394576332 /nfs/dbraw/zinc/57/63/32/394576332.db2.gz OFIDJTREUWDQHQ-QPSCCSFWSA-N 0 3 282.428 2.038 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC000246536544 394517766 /nfs/dbraw/zinc/51/77/66/394517766.db2.gz JIJWPLHDRYMHIY-STQMWFEESA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC000246536544 394517769 /nfs/dbraw/zinc/51/77/69/394517769.db2.gz JIJWPLHDRYMHIY-STQMWFEESA-N 0 3 274.364 2.091 10 0 CEAEHN CN(C(=O)OCc1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000306817649 394518774 /nfs/dbraw/zinc/51/87/74/394518774.db2.gz DWYRGUWBAKDVOE-OAHLLOKOSA-N 0 3 274.364 2.349 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(Br)cc1F ZINC000048775697 394529205 /nfs/dbraw/zinc/52/92/05/394529205.db2.gz PTEKVCSQZPDXRO-ZCFIWIBFSA-N 0 3 275.121 2.135 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC000248343243 394538562 /nfs/dbraw/zinc/53/85/62/394538562.db2.gz KAZZPOBBZYJRSV-IIYDPXPESA-N 0 3 292.398 2.200 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CC[C@H](C)[C@H](C)C2)C1 ZINC000129106937 394858576 /nfs/dbraw/zinc/85/85/76/394858576.db2.gz JPLWMVZQWARAII-MJBXVCDLSA-N 0 3 267.417 2.158 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1cccc(F)c1 ZINC000282059317 394903673 /nfs/dbraw/zinc/90/36/73/394903673.db2.gz BJIUXDHDFBILDD-KWBADKCTSA-N 0 3 250.317 2.143 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC(=O)N[C@H]2C)o1 ZINC000282061928 394905000 /nfs/dbraw/zinc/90/50/00/394905000.db2.gz BMUHNMDEFCNIMZ-URBCHYCLSA-N 0 3 262.353 2.160 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1N[C@@H]1CCCc2sccc21 ZINC000282320285 394917133 /nfs/dbraw/zinc/91/71/33/394917133.db2.gz NNYOPAPYJYCLNH-MVWJERBFSA-N 0 3 264.394 2.382 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2Cc3ccccc3C2)C1 ZINC000132348661 394929808 /nfs/dbraw/zinc/92/98/08/394929808.db2.gz URYRRRQKMMSWHJ-CJNGLKHVSA-N 0 3 287.407 2.441 10 0 CEAEHN CC(C)n1cncc1CN1CCC[C@H]1C(C)(C)O ZINC000425331558 395059287 /nfs/dbraw/zinc/05/92/87/395059287.db2.gz BSTONQWPNJIIEH-ZDUSSCGKSA-N 0 3 251.374 2.199 10 0 CEAEHN Cc1nccn1CCCCN1[C@H](C)COC[C@H]1C ZINC000162014337 395069453 /nfs/dbraw/zinc/06/94/53/395069453.db2.gz KYGSDIHMBUEUIG-CHWSQXEVSA-N 0 3 251.374 2.081 10 0 CEAEHN CCc1nnc(CN[C@@H]2CCCC[C@@H]2CC)n1C ZINC000163297117 395083227 /nfs/dbraw/zinc/08/32/27/395083227.db2.gz DXTJXNDDMFQSFK-NWDGAFQWSA-N 0 3 250.390 2.436 10 0 CEAEHN CC1CCC(NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000350028355 395178755 /nfs/dbraw/zinc/17/87/55/395178755.db2.gz UMOCFYIOZANJEN-JXQTWKCFSA-N 0 3 265.401 2.055 10 0 CEAEHN C[C@H]1CC[C@@H](NC(=O)CNC2CC2)c2ccccc21 ZINC000182712289 395246773 /nfs/dbraw/zinc/24/67/73/395246773.db2.gz XHRCNFATMMDARH-XHDPSFHLSA-N 0 3 258.365 2.493 10 0 CEAEHN COc1cc(C)nc(CN2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000295210675 395290504 /nfs/dbraw/zinc/29/05/04/395290504.db2.gz LMRVYTLYXDSAQK-CQSZACIVSA-N 0 3 278.396 2.382 10 0 CEAEHN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)N)o1 ZINC000262118415 292229288 /nfs/dbraw/zinc/22/92/88/292229288.db2.gz JDLFDOVRHNBKHX-USWWRNFRSA-N 0 3 250.342 2.235 10 0 CEAEHN O=C(c1cccc(OC(F)F)c1)N1CCN2CCC[C@@H]2C1 ZINC000195314607 153279826 /nfs/dbraw/zinc/27/98/26/153279826.db2.gz FXWXBHXBZJOALG-GFCCVEGCSA-N 0 3 296.317 2.208 10 0 CEAEHN O=C(CCc1ccc(F)cc1)N1CCN2CCC[C@@H]2C1 ZINC000195318467 153282072 /nfs/dbraw/zinc/28/20/72/153282072.db2.gz WJMWLXGHZYAWRE-OAHLLOKOSA-N 0 3 276.355 2.065 10 0 CEAEHN CC(C)(C)CCNC(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195507408 153291144 /nfs/dbraw/zinc/29/11/44/153291144.db2.gz JDBUCWOLSPPHRZ-UHFFFAOYSA-N 0 3 292.427 2.142 10 0 CEAEHN CCCn1ccc(CNCC[C@H](C)[S@](C)=O)c1 ZINC000229790535 153377531 /nfs/dbraw/zinc/37/75/31/153377531.db2.gz IWXBJAFETFIGGP-SJCJKPOMSA-N 0 3 256.415 2.145 10 0 CEAEHN CCc1cnc(CN2C[C@H]3CCCN3C[C@@H]2C)s1 ZINC000230374936 153392615 /nfs/dbraw/zinc/39/26/15/153392615.db2.gz PHMOEMHLSKNMJA-NWDGAFQWSA-N 0 3 265.426 2.374 10 0 CEAEHN COc1c(CNC[C@@H]2CCC[C@@H]2C)c(C)nn1C ZINC000230663101 153399205 /nfs/dbraw/zinc/39/92/05/153399205.db2.gz OXRWCBCDAHZSKH-JQWIXIFHSA-N 0 3 251.374 2.263 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000246992557 153586851 /nfs/dbraw/zinc/58/68/51/153586851.db2.gz FHJFSRRVXARXLN-RRFJBIMHSA-N 0 3 297.443 2.118 10 0 CEAEHN Cc1cc(C)nc(NC[C@@H]2NCCc3ccccc32)n1 ZINC000261750133 153831273 /nfs/dbraw/zinc/83/12/73/153831273.db2.gz MVPHZFNTMLJICL-HNNXBMFYSA-N 0 3 268.364 2.392 10 0 CEAEHN CN(C)C[C@@H](NC(=O)Cc1cccc(N)c1)c1ccccc1 ZINC000261833309 153855114 /nfs/dbraw/zinc/85/51/14/153855114.db2.gz BMBNKIBRSCOVSH-QGZVFWFLSA-N 0 3 297.402 2.230 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)CCC(F)(F)F)C1 ZINC000263470679 154100180 /nfs/dbraw/zinc/10/01/80/154100180.db2.gz DOAQZTQOWRHADS-WHXUTIOJSA-N 0 3 296.333 2.245 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCC(F)(F)F)C1 ZINC000263470679 154100187 /nfs/dbraw/zinc/10/01/87/154100187.db2.gz DOAQZTQOWRHADS-WHXUTIOJSA-N 0 3 296.333 2.245 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)CCC(F)(F)F)C1 ZINC000263470679 154100192 /nfs/dbraw/zinc/10/01/92/154100192.db2.gz DOAQZTQOWRHADS-WHXUTIOJSA-N 0 3 296.333 2.245 10 0 CEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(NC2CCCCC2)C1 ZINC000263485499 154100585 /nfs/dbraw/zinc/10/05/85/154100585.db2.gz HFWABMQJKFZXLI-UHFFFAOYSA-N 0 3 280.412 2.236 10 0 CEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC2CCCCC2)C1 ZINC000263485499 154100588 /nfs/dbraw/zinc/10/05/88/154100588.db2.gz HFWABMQJKFZXLI-UHFFFAOYSA-N 0 3 280.412 2.236 10 0 CEAEHN O=C([O-])CN(CC1CC1)C1CC([NH2+]C2CCCCC2)C1 ZINC000263485499 154100592 /nfs/dbraw/zinc/10/05/92/154100592.db2.gz HFWABMQJKFZXLI-UHFFFAOYSA-N 0 3 280.412 2.236 10 0 CEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(NCC2CCCCC2)C1 ZINC000263523430 154112750 /nfs/dbraw/zinc/11/27/50/154112750.db2.gz SDBYGPXRACIDLF-UHFFFAOYSA-N 0 3 294.439 2.484 10 0 CEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(NCC2CCCCC2)C1 ZINC000263523430 154112755 /nfs/dbraw/zinc/11/27/55/154112755.db2.gz SDBYGPXRACIDLF-UHFFFAOYSA-N 0 3 294.439 2.484 10 0 CEAEHN O=C([O-])CN(CC1CC1)C1CC([NH2+]CC2CCCCC2)C1 ZINC000263523430 154112759 /nfs/dbraw/zinc/11/27/59/154112759.db2.gz SDBYGPXRACIDLF-UHFFFAOYSA-N 0 3 294.439 2.484 10 0 CEAEHN CCCC[C@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263533657 154116199 /nfs/dbraw/zinc/11/61/99/154116199.db2.gz XYRSUCOOIXGGOC-GRTSSRMGSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCC[C@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263533657 154116201 /nfs/dbraw/zinc/11/62/01/154116201.db2.gz XYRSUCOOIXGGOC-GRTSSRMGSA-N 0 3 282.428 2.482 10 0 CEAEHN COc1c(CNCC2CC(C)(C)C2)c(C)nn1C ZINC000548045305 298388581 /nfs/dbraw/zinc/38/85/81/298388581.db2.gz ZUDBXMXTGALJGT-UHFFFAOYSA-N 0 3 251.374 2.263 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1cc(C)ccc1OC)C(F)(F)F ZINC000062784632 522655168 /nfs/dbraw/zinc/65/51/68/522655168.db2.gz OXQWFLPZWXPQFA-VXGBXAGGSA-N 0 3 277.286 2.491 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2sccc2OC(F)F)C1 ZINC000171508592 165048112 /nfs/dbraw/zinc/04/81/12/165048112.db2.gz VOBFEEXVMTYZSA-MRVPVSSYSA-N 0 3 290.335 2.126 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(CCCOC(C)C)C1 ZINC000171501120 165048237 /nfs/dbraw/zinc/04/82/37/165048237.db2.gz ITAMSXZVWZFWRZ-CQSZACIVSA-N 0 3 280.416 2.293 10 0 CEAEHN Fc1ccc(OCCN2CCC[C@H](n3cncn3)C2)cc1 ZINC000171615548 165050305 /nfs/dbraw/zinc/05/03/05/165050305.db2.gz DALHNHTUAYSMKQ-AWEZNQCLSA-N 0 3 290.342 2.133 10 0 CEAEHN CCC(CC)CNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000171654646 165051648 /nfs/dbraw/zinc/05/16/48/165051648.db2.gz LSNJVXMJWWMWOZ-CYBMUJFWSA-N 0 3 255.406 2.206 10 0 CEAEHN C[C@@H](NCc1c[nH]cn1)c1cccc(-n2ccnc2)c1 ZINC000174651467 165113478 /nfs/dbraw/zinc/11/34/78/165113478.db2.gz CEQQDBBXRIYXID-GFCCVEGCSA-N 0 3 267.336 2.446 10 0 CEAEHN C[C@@H](NCc1cnc[nH]1)c1cccc(-n2ccnc2)c1 ZINC000174651467 165113481 /nfs/dbraw/zinc/11/34/81/165113481.db2.gz CEQQDBBXRIYXID-GFCCVEGCSA-N 0 3 267.336 2.446 10 0 CEAEHN CCCC1(CNC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000177607730 165202698 /nfs/dbraw/zinc/20/26/98/165202698.db2.gz YRZFDEXXHPIGRE-ZDUSSCGKSA-N 0 3 265.401 2.056 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@@H]1CCc3ccccc31)CC2 ZINC000180611338 165315491 /nfs/dbraw/zinc/31/54/91/165315491.db2.gz BFJLBDJLOHVWIR-UKRRQHHQSA-N 0 3 282.391 2.432 10 0 CEAEHN C[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccoc1 ZINC000180930910 165325319 /nfs/dbraw/zinc/32/53/19/165325319.db2.gz TUDFOZXXOMQJSY-JSGCOSHPSA-N 0 3 272.352 2.389 10 0 CEAEHN CC1CCC(N[C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000005014335 170055664 /nfs/dbraw/zinc/05/56/64/170055664.db2.gz OSDYJIRJVNTEAK-PIMMBPRGSA-N 0 3 286.375 2.487 10 0 CEAEHN Cn1cc(C2=NC[C@]3(CN4CCC3CC4)O2)c2ccccc21 ZINC000005932706 170156932 /nfs/dbraw/zinc/15/69/32/170156932.db2.gz GJZYDYYJSGXPCE-GOSISDBHSA-N 0 3 295.386 2.420 10 0 CEAEHN COc1cccc([C@@]23CCN(C)[C@@H](CC(=O)C2)C3)c1 ZINC000006040621 170170991 /nfs/dbraw/zinc/17/09/91/170170991.db2.gz RMXPANLFBPCCIX-XJKSGUPXSA-N 0 3 259.349 2.390 10 0 CEAEHN Cc1ccc(C(=O)Nc2cccc(C[NH3+])c2)c([O-])c1 ZINC000019479485 170809705 /nfs/dbraw/zinc/80/97/05/170809705.db2.gz UFUPFNSEZQCUHZ-UHFFFAOYSA-N 0 3 256.305 2.412 10 0 CEAEHN C=COCCCNCc1cc(OC)ccc1OC ZINC000020197547 171062157 /nfs/dbraw/zinc/06/21/57/171062157.db2.gz JUTGMFRLJLHQJQ-UHFFFAOYSA-N 0 3 251.326 2.344 10 0 CEAEHN Nc1cc(Cl)ccc1N[C@@H]1CN2CCC1CC2 ZINC000020383840 171173619 /nfs/dbraw/zinc/17/36/19/171173619.db2.gz GRYCEZVWCBPYIC-CYBMUJFWSA-N 0 3 251.761 2.428 10 0 CEAEHN COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(F)cc1 ZINC000022008990 171348657 /nfs/dbraw/zinc/34/86/57/171348657.db2.gz NTYATEQGMUSJQM-QWHCGFSZSA-N 0 3 251.301 2.034 10 0 CEAEHN CCOc1cc2c(cc1CNCCN(C)C)O[C@H](C)C2 ZINC000022141144 171355139 /nfs/dbraw/zinc/35/51/39/171355139.db2.gz ZPGWZMGDYSJENI-GFCCVEGCSA-N 0 3 278.396 2.060 10 0 CEAEHN COc1cccc(OC)c1Oc1cc(CN)ccn1 ZINC000022163516 171364553 /nfs/dbraw/zinc/36/45/53/171364553.db2.gz FWVSQMNSMCUWBM-UHFFFAOYSA-N 0 3 260.293 2.350 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccccc2C(F)(F)F)CCO1 ZINC000022173432 171369279 /nfs/dbraw/zinc/36/92/79/171369279.db2.gz MXXUHXGTUWARBL-MFKMUULPSA-N 0 3 288.313 2.426 10 0 CEAEHN CCN(CC)[C@@H](CN)c1cnn(-c2ccccc2)c1 ZINC000022174851 171369780 /nfs/dbraw/zinc/36/97/80/171369780.db2.gz SVGYCLZPSWRHTR-HNNXBMFYSA-N 0 3 258.369 2.214 10 0 CEAEHN COc1cc(OC)c([C@H](CN)N(C)C(C)C)cc1OC ZINC000022211196 171373466 /nfs/dbraw/zinc/37/34/66/171373466.db2.gz CYKNJGLKRZPCNM-LBPRGKRZSA-N 0 3 282.384 2.052 10 0 CEAEHN CN(C1CCCCC1)S(=O)(=O)c1cccc(CN)c1 ZINC000022218740 171376678 /nfs/dbraw/zinc/37/66/78/171376678.db2.gz OYDSFXVYZHKEOW-UHFFFAOYSA-N 0 3 282.409 2.099 10 0 CEAEHN N[C@@H](CN1CCOCC1)c1ccc2ccccc2c1 ZINC000022563541 171390960 /nfs/dbraw/zinc/39/09/60/171390960.db2.gz XUKYDJKOHHJDSZ-INIZCTEOSA-N 0 3 256.349 2.172 10 0 CEAEHN CC(C)(C)c1ccc([C@H](N)CN2CCOCC2)cc1 ZINC000022565750 171392114 /nfs/dbraw/zinc/39/21/14/171392114.db2.gz CUTMVRQOBXMPTM-OAHLLOKOSA-N 0 3 262.397 2.316 10 0 CEAEHN COC(=O)c1cc(CN[C@H](C)[C@@H]2CCCO2)oc1C ZINC000035273869 172094478 /nfs/dbraw/zinc/09/44/78/172094478.db2.gz XEKFTMGGTZHHSF-RNCFNFMXSA-N 0 3 267.325 2.032 10 0 CEAEHN C[C@@H](Oc1c2ccccc2ccc1[C@H](C)N)C(N)=O ZINC000035427257 172194793 /nfs/dbraw/zinc/19/47/93/172194793.db2.gz PQENBEDAGNGBHA-VHSXEESVSA-N 0 3 258.321 2.112 10 0 CEAEHN CCN(C)c1nc2sccn2c1CNC(C)C ZINC000035430056 172197933 /nfs/dbraw/zinc/19/79/33/172197933.db2.gz QBHPCLPOYVTQME-UHFFFAOYSA-N 0 3 252.387 2.350 10 0 CEAEHN N[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)C1 ZINC000035679807 172350290 /nfs/dbraw/zinc/35/02/90/172350290.db2.gz YZWXYNBPWFIHFS-JTQLQIEISA-N 0 3 273.163 2.096 10 0 CEAEHN N[C@@H]1CC(=O)N(c2c(Cl)cccc2C(F)(F)F)C1 ZINC000035679896 172350775 /nfs/dbraw/zinc/35/07/75/172350775.db2.gz IIZFUQWCIIVQLC-ZCFIWIBFSA-N 0 3 278.661 2.423 10 0 CEAEHN C[C@@H](NCC(=O)Nc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000035735818 172388318 /nfs/dbraw/zinc/38/83/18/172388318.db2.gz QFQFPHFETRRDHJ-ZWNOBZJWSA-N 0 3 282.771 2.436 10 0 CEAEHN CCCN[C@@H]1c2ccccc2S(=O)(=O)C[C@@H]1C ZINC000035760562 172398604 /nfs/dbraw/zinc/39/86/04/172398604.db2.gz ISKFIMWZJJOQOG-GWCFXTLKSA-N 0 3 253.367 2.151 10 0 CEAEHN Cc1cn2c(CN[C@H]3CCC[C@H](O)C3)c(C)nc2s1 ZINC000037166155 173000464 /nfs/dbraw/zinc/00/04/64/173000464.db2.gz WSFAAWRERSOHJZ-RYUDHWBXSA-N 0 3 279.409 2.406 10 0 CEAEHN CN(CCOc1cccc(N)c1)[C@@H]1CCSC1 ZINC000037174106 173008726 /nfs/dbraw/zinc/00/87/26/173008726.db2.gz LNEPJMKKQZVGBZ-GFCCVEGCSA-N 0 3 252.383 2.085 10 0 CEAEHN COC(=O)c1ccccc1CNCCCOC(C)C ZINC000037239584 173056340 /nfs/dbraw/zinc/05/63/40/173056340.db2.gz LVEKVGVXOLVMDF-UHFFFAOYSA-N 0 3 265.353 2.378 10 0 CEAEHN COC(=O)C[C@@H](N)c1c(OC)ccc2ccccc21 ZINC000037290029 173095808 /nfs/dbraw/zinc/09/58/08/173095808.db2.gz PTZQNDQLPQTMOF-GFCCVEGCSA-N 0 3 259.305 2.411 10 0 CEAEHN COC(=O)c1ccc(Cl)c(NC(=O)CNC(C)C)c1 ZINC000037388727 173172340 /nfs/dbraw/zinc/17/23/40/173172340.db2.gz XIZLBWWGSRJIJE-UHFFFAOYSA-N 0 3 284.743 2.063 10 0 CEAEHN COC(=O)CCCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000037416876 173194334 /nfs/dbraw/zinc/19/43/34/173194334.db2.gz QJZXEMJAIOIEJX-NSHDSACASA-N 0 3 279.336 2.062 10 0 CEAEHN C[C@H](NC[C@@H]1Cc2ccccc2O1)C(=O)NC1CCCC1 ZINC000038009888 173975828 /nfs/dbraw/zinc/97/58/28/173975828.db2.gz YLBNRXUGWPCMMV-WFASDCNBSA-N 0 3 288.391 2.027 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000038033052 174029537 /nfs/dbraw/zinc/02/95/37/174029537.db2.gz CRHBUKFIXZDULT-UHFFFAOYSA-N 0 3 284.359 2.302 10 0 CEAEHN CC[C@@H](C)N[C@]1(C(N)=O)CCCCc2ccccc21 ZINC000038065340 174075955 /nfs/dbraw/zinc/07/59/55/174075955.db2.gz VEASFQJGCJOAAP-MLGOLLRUSA-N 0 3 260.381 2.482 10 0 CEAEHN CC[C@@H](C)N[C@H](C(N)=O)c1ccc(OC(F)F)cc1 ZINC000038065270 174076185 /nfs/dbraw/zinc/07/61/85/174076185.db2.gz RDMSQJKHGTWRIA-KCJUWKMLSA-N 0 3 272.295 2.203 10 0 CEAEHN COc1ccc(Br)cc1[C@H](CO)NC(C)C ZINC000038115819 174125988 /nfs/dbraw/zinc/12/59/88/174125988.db2.gz JAZILRXJDVQASJ-NSHDSACASA-N 0 3 288.185 2.489 10 0 CEAEHN CC(C)CN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C ZINC000040467915 174276290 /nfs/dbraw/zinc/27/62/90/174276290.db2.gz CHODTYYLXGZBBG-SECBINFHSA-N 0 3 268.323 2.407 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000040490668 174291932 /nfs/dbraw/zinc/29/19/32/174291932.db2.gz BBNTZLHLGKGKKT-CDMKHQONSA-N 0 3 265.357 2.020 10 0 CEAEHN CSCC[C@H](N)C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492113 174292815 /nfs/dbraw/zinc/29/28/15/174292815.db2.gz SSHDMZIRGXORGS-LBPRGKRZSA-N 0 3 284.450 2.320 10 0 CEAEHN Cc1cc(C)c(CN)c(OC[C@H]2CCCCO2)n1 ZINC000040509653 174304274 /nfs/dbraw/zinc/30/42/74/174304274.db2.gz UZHMYOZNKHJYEF-GFCCVEGCSA-N 0 3 250.342 2.105 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000040630171 174357709 /nfs/dbraw/zinc/35/77/09/174357709.db2.gz OXEYEQPNKPRULC-QWRGUYRKSA-N 0 3 288.269 2.021 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000040630283 174357934 /nfs/dbraw/zinc/35/79/34/174357934.db2.gz SZVGOPNOSPEPJS-LDYMZIIASA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccc(C)s3)c[nH]2)C1 ZINC000040637792 174361940 /nfs/dbraw/zinc/36/19/40/174361940.db2.gz GAISLGUOGJXHNQ-VHSXEESVSA-N 0 3 263.366 2.496 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2cccc(F)c2)CC1 ZINC000040689119 174375617 /nfs/dbraw/zinc/37/56/17/174375617.db2.gz NSALXTMKUJBRBH-HNNXBMFYSA-N 0 3 266.360 2.326 10 0 CEAEHN CN1CCC[C@@H](Nc2ccc3cc(N)ccc3n2)C1 ZINC000040715787 174382738 /nfs/dbraw/zinc/38/27/38/174382738.db2.gz BFWWBUWBMFDCQQ-CYBMUJFWSA-N 0 3 256.353 2.323 10 0 CEAEHN CCNCc1c(N2CC[C@H](C)C2)nc2ccccn21 ZINC000040723739 174386171 /nfs/dbraw/zinc/38/61/71/174386171.db2.gz TXBWXGAVSNAYHE-LBPRGKRZSA-N 0 3 258.369 2.290 10 0 CEAEHN Oc1ccc2c(c1)OC[C@H]2NCCN1CCCCCC1 ZINC000040767469 174398044 /nfs/dbraw/zinc/39/80/44/174398044.db2.gz YQUNDFZFVJSFCP-OAHLLOKOSA-N 0 3 276.380 2.291 10 0 CEAEHN C(CN1CC[C@H]2OCCN[C@H]2C1)C1CCCCC1 ZINC000403995601 414770450 /nfs/dbraw/zinc/77/04/50/414770450.db2.gz KXKKQJNVXBGBRK-LSDHHAIUSA-N 0 3 252.402 2.020 10 0 CEAEHN CN(C(=O)c1cc2ccccc2o1)[C@H](CN)C(F)(F)F ZINC000662977786 414816701 /nfs/dbraw/zinc/81/67/01/414816701.db2.gz WRYHWBPLJDZAKV-LLVKDONJSA-N 0 3 286.253 2.394 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@@H](CN)C(F)(F)F)ccc1F ZINC000662979264 414817230 /nfs/dbraw/zinc/81/72/30/414817230.db2.gz KGAKINCNHAOXFA-JTQLQIEISA-N 0 3 278.249 2.096 10 0 CEAEHN CC[C@@H]1C[C@H](N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CO1 ZINC000657298642 414842416 /nfs/dbraw/zinc/84/24/16/414842416.db2.gz WJTGKHFRIPUOIP-KWCYVHTRSA-N 0 3 297.420 2.308 10 0 CEAEHN COCCNC(=O)[C@@H](C)N[C@H](c1cccs1)C(C)C ZINC000042302940 174678331 /nfs/dbraw/zinc/67/83/31/174678331.db2.gz KVONARAQKZNIIM-YPMHNXCESA-N 0 3 284.425 2.186 10 0 CEAEHN COCCN(c1cccc(F)c1[C@H](C)N)C1CC1 ZINC000042518536 174770545 /nfs/dbraw/zinc/77/05/45/174770545.db2.gz UVANDGRSXANAQP-JTQLQIEISA-N 0 3 252.333 2.461 10 0 CEAEHN CN1C[C@H](CNCc2ccccc2Br)CC1=O ZINC000657694336 415050813 /nfs/dbraw/zinc/05/08/13/415050813.db2.gz KDDCVFRVBIZGKJ-JTQLQIEISA-N 0 3 297.196 2.017 10 0 CEAEHN OCC1CC(NCc2cc(Br)ccc2F)C1 ZINC000657808150 415089007 /nfs/dbraw/zinc/08/90/07/415089007.db2.gz BTDGWRCLKYVUMO-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN CC[C@@H](N)[C@H](c1cccc(Cl)c1)N1CCC[C@@H]1C(N)=O ZINC000042975184 174938775 /nfs/dbraw/zinc/93/87/75/174938775.db2.gz ABEFDGVCEJDKQR-MCIONIFRSA-N 0 3 295.814 2.068 10 0 CEAEHN N[C@H](c1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000043299792 175000268 /nfs/dbraw/zinc/00/02/68/175000268.db2.gz CHNRLMZKUMUGBL-WFASDCNBSA-N 0 3 275.373 2.274 10 0 CEAEHN N[C@H](c1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043299972 175000795 /nfs/dbraw/zinc/00/07/95/175000795.db2.gz FNYSQJWVAPTLDK-CPCISQLKSA-N 0 3 294.203 2.428 10 0 CEAEHN CN[C@@H](c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043300572 175001455 /nfs/dbraw/zinc/00/14/55/175001455.db2.gz STVPDQXMMCBIIC-JOYOIKCWSA-N 0 3 273.785 2.035 10 0 CEAEHN C[NH2+]Cc1ccccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000043327893 175009597 /nfs/dbraw/zinc/00/95/97/175009597.db2.gz AOPIQNMZEOYYEI-UHFFFAOYSA-N 0 3 286.331 2.373 10 0 CEAEHN CCN(CC(F)(F)F)[C@H](c1ccccn1)[C@@H](C)N ZINC000043341130 175015012 /nfs/dbraw/zinc/01/50/12/175015012.db2.gz AJDDYBSQHYBIMU-KOLCDFICSA-N 0 3 261.291 2.354 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N1CCOC[C@@H]1C ZINC000043364179 175025093 /nfs/dbraw/zinc/02/50/93/175025093.db2.gz YFYZDLWKUVLLJN-ZKYQVNSYSA-N 0 3 252.358 2.087 10 0 CEAEHN Cc1ccc([C@H]([C@@H](C)N)N2CCOCC2(C)C)o1 ZINC000043364745 175025500 /nfs/dbraw/zinc/02/55/00/175025500.db2.gz UTISYESDOSDPOV-YPMHNXCESA-N 0 3 252.358 2.087 10 0 CEAEHN C[C@H](CC(C)(C)c1ccccc1)N[C@@H]1CCNC1=O ZINC000658052856 415176096 /nfs/dbraw/zinc/17/60/96/415176096.db2.gz PPBLUXLCTJFOFQ-TZMCWYRMSA-N 0 3 260.381 2.221 10 0 CEAEHN CCN[C@@H](CN1CCCC1)c1ccc2c(c1)OCCO2 ZINC000043807363 175108070 /nfs/dbraw/zinc/10/80/70/175108070.db2.gz UOIBEIPMQIIVCA-AWEZNQCLSA-N 0 3 276.380 2.204 10 0 CEAEHN CCCCN(C)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000043816744 175112497 /nfs/dbraw/zinc/11/24/97/175112497.db2.gz MLHYDKJKEHMBNJ-AWEZNQCLSA-N 0 3 278.396 2.450 10 0 CEAEHN CN[C@H](CN(C)CCOC)c1ccc(OC(C)C)cc1 ZINC000043915480 175124882 /nfs/dbraw/zinc/12/48/82/175124882.db2.gz FPAQJHZHPNHGCS-MRXNPFEDSA-N 0 3 280.412 2.313 10 0 CEAEHN CCCN[C@@H]1c2ccccc2OC[C@@H]1N(C)CCOC ZINC000043916480 175125483 /nfs/dbraw/zinc/12/54/83/175125483.db2.gz KNWLTGYDKZLYIJ-GOEBONIOSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966483 175127880 /nfs/dbraw/zinc/12/78/80/175127880.db2.gz YBKHZTAMBXGAPF-QRTARXTBSA-N 0 3 290.407 2.209 10 0 CEAEHN CCCN[C@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)COC ZINC000043969536 175130646 /nfs/dbraw/zinc/13/06/46/175130646.db2.gz ONJLETLKZPEUNQ-LXZKKBNFSA-N 0 3 292.423 2.455 10 0 CEAEHN COc1cccc(NC(=O)[C@H](CN)Cc2ccccc2)c1 ZINC000044793955 175254058 /nfs/dbraw/zinc/25/40/58/175254058.db2.gz WVBIPZCSKHKSHC-AWEZNQCLSA-N 0 3 284.359 2.451 10 0 CEAEHN C[C@H]1CCCN(C(=O)[C@H](CN)Cc2ccccc2)C1 ZINC000044796138 175254855 /nfs/dbraw/zinc/25/48/55/175254855.db2.gz VXSPHOWKJXWXLX-ZFWWWQNUSA-N 0 3 260.381 2.063 10 0 CEAEHN C[C@H](CNCc1nccn1C(F)F)N1CCCCC1 ZINC000044993380 175286748 /nfs/dbraw/zinc/28/67/48/175286748.db2.gz XUGCJACNSSFGLB-LLVKDONJSA-N 0 3 272.343 2.242 10 0 CEAEHN CC(C)c1ccc(CNC[C@H](O)Cn2cccn2)cc1 ZINC000045044574 175295353 /nfs/dbraw/zinc/29/53/53/175295353.db2.gz IZILNLQGOIWPGX-INIZCTEOSA-N 0 3 273.380 2.157 10 0 CEAEHN CC(C)CCNC(=O)[C@@H](C)NCCOCCC(C)C ZINC000045106861 175308090 /nfs/dbraw/zinc/30/80/90/175308090.db2.gz WWYATYDAMTYJFB-CQSZACIVSA-N 0 3 272.433 2.190 10 0 CEAEHN CC1(C)C[C@@H]1NCC(=O)Nc1c(F)cccc1F ZINC000045119517 175312064 /nfs/dbraw/zinc/31/20/64/175312064.db2.gz UNTQTFMLMMUWIZ-JTQLQIEISA-N 0 3 254.280 2.291 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@@H]2CCCO2)c1C ZINC000045167759 175319365 /nfs/dbraw/zinc/31/93/65/175319365.db2.gz DUWWGBIPJDWSBO-GWCFXTLKSA-N 0 3 251.374 2.349 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)N[C@H](CO)CC(C)C ZINC000045172214 175321900 /nfs/dbraw/zinc/32/19/00/175321900.db2.gz PXYIPCUVRNPODC-GWCFXTLKSA-N 0 3 253.390 2.095 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1CCCCCCC1)C(=O)[O-] ZINC000045223724 175331453 /nfs/dbraw/zinc/33/14/53/175331453.db2.gz BVFFEZBZDGEVRZ-HNNXBMFYSA-N 0 3 270.417 2.486 10 0 CEAEHN CCCN[C@](CN1CCCC1)(C(=O)OC)c1ccccc1 ZINC000045225709 175332925 /nfs/dbraw/zinc/33/29/25/175332925.db2.gz AFEHKKSOYZVNEI-KRWDZBQOSA-N 0 3 290.407 2.150 10 0 CEAEHN CCCC[NH+](CCCC)CC[C@](C)(NC)C(=O)[O-] ZINC000045232751 175336022 /nfs/dbraw/zinc/33/60/22/175336022.db2.gz HXQTZZVSHWHQNY-AWEZNQCLSA-N 0 3 258.406 2.341 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(CC)C(C)C)NC(C)C ZINC000045265548 175338351 /nfs/dbraw/zinc/33/83/51/175338351.db2.gz DRMATFXWLRWRIW-CQSZACIVSA-N 0 3 258.406 2.037 10 0 CEAEHN CCCN(C[C@@](C)(NC(C)C)C(=O)OCC)C1CC1 ZINC000045267904 175339975 /nfs/dbraw/zinc/33/99/75/175339975.db2.gz CDLJGGOHCIYJDP-OAHLLOKOSA-N 0 3 270.417 2.181 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)NC ZINC000045272068 175343476 /nfs/dbraw/zinc/34/34/76/175343476.db2.gz ZXVJVGFGOROCEY-SQWLQELKSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN[C@@](C)(CN(C)[C@@H](C)C(C)(C)C)C(=O)OCC ZINC000045274712 175344995 /nfs/dbraw/zinc/34/49/95/175344995.db2.gz MFYAHFAELUWLKP-WFASDCNBSA-N 0 3 272.433 2.284 10 0 CEAEHN CCN[C@@](C)(CN1CCC(CC)CC1)C(=O)OCC ZINC000045281379 175351735 /nfs/dbraw/zinc/35/17/35/175351735.db2.gz UZKIFBQKXRPQQO-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCc1ccccc1NC(=O)[C@]1(COC)CCCN1 ZINC000659264184 415479133 /nfs/dbraw/zinc/47/91/33/415479133.db2.gz FAMQSEHWGMRUDZ-MRXNPFEDSA-N 0 3 276.380 2.346 10 0 CEAEHN CNCc1ccn(Cc2ccc(Br)cc2)n1 ZINC000070708976 176002942 /nfs/dbraw/zinc/00/29/42/176002942.db2.gz SGYFONCPOMEXPK-UHFFFAOYSA-N 0 3 280.169 2.413 10 0 CEAEHN Cc1c(CN)cnn1Cc1cccc(Br)c1 ZINC000070824449 176007594 /nfs/dbraw/zinc/00/75/94/176007594.db2.gz VXGHSGONMMPAIY-UHFFFAOYSA-N 0 3 280.169 2.461 10 0 CEAEHN Cc1ccc([C@H]2[C@@H](N)CCC(=O)N2C2CC2)cc1F ZINC000070987216 176018553 /nfs/dbraw/zinc/01/85/53/176018553.db2.gz WDXFQOKJMABDKG-ZFWWWQNUSA-N 0 3 262.328 2.287 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc(F)cc1F ZINC000070987422 176018674 /nfs/dbraw/zinc/01/86/74/176018674.db2.gz CLFHCNSAFJELRH-JSGCOSHPSA-N 0 3 266.291 2.118 10 0 CEAEHN CCN(CC)c1ccc(N2CC[C@@H](NC3CC3)C2=O)cc1 ZINC000071031302 176022421 /nfs/dbraw/zinc/02/24/21/176022421.db2.gz FRKPHGYWYZETBD-MRXNPFEDSA-N 0 3 287.407 2.390 10 0 CEAEHN CC1CCC(CN2CC[C@H](NC3CC3)C2=O)CC1 ZINC000071031309 176022610 /nfs/dbraw/zinc/02/26/10/176022610.db2.gz JKXBXPLLGLOHIA-YIZWMMSDSA-N 0 3 250.386 2.166 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1Cc1ccc(F)cc1F ZINC000071042062 176028677 /nfs/dbraw/zinc/02/86/77/176028677.db2.gz XRMDJHQCGHKYQX-CQSZACIVSA-N 0 3 280.318 2.208 10 0 CEAEHN CCCN(CC(N)=S)C[C@H]1OCCc2ccccc21 ZINC000071091337 176032291 /nfs/dbraw/zinc/03/22/91/176032291.db2.gz VLJLDMQQFRZCRE-CQSZACIVSA-N 0 3 278.421 2.299 10 0 CEAEHN CC[C@@H]1CCC[C@@H](OC[C@](NC2CC2)(C(N)=O)C2CC2)C1 ZINC000071134042 176035592 /nfs/dbraw/zinc/03/55/92/176035592.db2.gz UZLDSQUEGUTOCY-SRCQZFHVSA-N 0 3 294.439 2.358 10 0 CEAEHN COCCN(CCC(N)=S)Cc1cc(C)ccc1OC ZINC000071225805 176089836 /nfs/dbraw/zinc/08/98/36/176089836.db2.gz RDFZOEGKDRPYFP-UHFFFAOYSA-N 0 3 296.436 2.128 10 0 CEAEHN CCN(Cc1ccc(F)cc1C(N)=S)[C@H](C)COC ZINC000071266154 176100211 /nfs/dbraw/zinc/10/02/11/176100211.db2.gz ZLGCGTMFPKKXJY-SNVBAGLBSA-N 0 3 284.400 2.317 10 0 CEAEHN CCOc1cc2c(cc1CNC[C@@H](O)C1CC1)O[C@H](C)C2 ZINC000071277916 176107719 /nfs/dbraw/zinc/10/77/19/176107719.db2.gz NSYSJTIAMFZRPP-IAQYHMDHSA-N 0 3 291.391 2.269 10 0 CEAEHN CCOC(=O)CCCCCNCc1ccccn1 ZINC000071293148 176111351 /nfs/dbraw/zinc/11/13/51/176111351.db2.gz RUBRLIMPAJXTJG-UHFFFAOYSA-N 0 3 250.342 2.295 10 0 CEAEHN Cc1cccnc1CNC[C@H](O)c1ccc(F)cc1 ZINC000071344120 176131023 /nfs/dbraw/zinc/13/10/23/176131023.db2.gz DCPBVHKNFSBVJM-HNNXBMFYSA-N 0 3 260.312 2.352 10 0 CEAEHN Cc1ccc(N)c(C(=O)Nc2cnccc2N(C)C)c1 ZINC000071382985 176146286 /nfs/dbraw/zinc/14/62/86/176146286.db2.gz TWHSSRMBLOQCCO-UHFFFAOYSA-N 0 3 270.336 2.291 10 0 CEAEHN Cc1ccc(O[C@H](C)C(=O)N2CCCCC2)c(CN)c1 ZINC000071403401 176154965 /nfs/dbraw/zinc/15/49/65/176154965.db2.gz SBWAZNOVYZWCEU-CYBMUJFWSA-N 0 3 276.380 2.234 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@H]1CCCCNC1=O ZINC000071406127 176155833 /nfs/dbraw/zinc/15/58/33/176155833.db2.gz NGTLVPNYSQPLBA-HNNXBMFYSA-N 0 3 276.380 2.152 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@H](C)C(=O)NC1CC1 ZINC000071406067 176155946 /nfs/dbraw/zinc/15/59/46/176155946.db2.gz OBOGIGOFDUSNCT-GFCCVEGCSA-N 0 3 276.380 2.150 10 0 CEAEHN CCCNCc1cc(C)ccc1OCCS(=O)(=O)CC ZINC000071406263 176155955 /nfs/dbraw/zinc/15/59/55/176155955.db2.gz XSYBVWQOUCPGBA-UHFFFAOYSA-N 0 3 299.436 2.308 10 0 CEAEHN CN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC000071576407 176204047 /nfs/dbraw/zinc/20/40/47/176204047.db2.gz IYXDKHZGHYEHEJ-LLVKDONJSA-N 0 3 255.159 2.025 10 0 CEAEHN CN1CCNC[C@@H]1c1cc(Br)cs1 ZINC000071587279 176214821 /nfs/dbraw/zinc/21/48/21/176214821.db2.gz NJUBWFJKOMLQQB-MRVPVSSYSA-N 0 3 261.188 2.087 10 0 CEAEHN Cc1cc(C)cc(CNC(=O)[C@@]2(C)CCCCN2)c1 ZINC000662648132 415918997 /nfs/dbraw/zinc/91/89/97/415918997.db2.gz XKIVXDSNDCPTHB-MRXNPFEDSA-N 0 3 260.381 2.452 10 0 CEAEHN CC(C)(N)C(=O)Nc1ccc(Br)s1 ZINC000076358471 177000676 /nfs/dbraw/zinc/00/06/76/177000676.db2.gz UPYMCDKLTYEKMZ-UHFFFAOYSA-N 0 3 263.160 2.186 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC(C)(C)C ZINC000076552236 177037348 /nfs/dbraw/zinc/03/73/48/177037348.db2.gz MDKCAEMNZGJLGI-GFCCVEGCSA-N 0 3 257.422 2.308 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCS[C@H](C)CC2)C1 ZINC000192260900 270277226 /nfs/dbraw/zinc/27/72/26/270277226.db2.gz RAIMNUQCXURKCB-BFHYXJOUSA-N 0 3 299.484 2.252 10 0 CEAEHN CC1(C)CCCN[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000232956794 270314804 /nfs/dbraw/zinc/31/48/04/270314804.db2.gz YCFVREZSBJCGIR-ZDUSSCGKSA-N 0 3 272.352 2.280 10 0 CEAEHN CCOc1ccccc1[C@H](C)N[C@H]1CCC(=O)N[C@H]1C ZINC000393002423 270341709 /nfs/dbraw/zinc/34/17/09/270341709.db2.gz LWZDCYAHOCWWON-OBJOEFQTSA-N 0 3 276.380 2.403 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC2([S@](C)=O)CCC2)c1C ZINC000393705241 270343694 /nfs/dbraw/zinc/34/36/94/270343694.db2.gz KAYJSUKDQLOLNQ-YBTHPKLGSA-N 0 3 297.468 2.472 10 0 CEAEHN Cn1cncc1CNC(C)(C)CCNC(=O)OC(C)(C)C ZINC000397448581 270354429 /nfs/dbraw/zinc/35/44/29/270354429.db2.gz PEFWIZKZWNRALO-UHFFFAOYSA-N 0 3 296.415 2.203 10 0 CEAEHN COc1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1F ZINC000398961676 270364813 /nfs/dbraw/zinc/36/48/13/270364813.db2.gz VEUQKEGAJSKNTK-MELADBBJSA-N 0 3 279.355 2.427 10 0 CEAEHN CCN1CCC[C@@H](N[C@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000250188568 276167944 /nfs/dbraw/zinc/16/79/44/276167944.db2.gz ABKWCHUZTNTEBF-HIFRSBDPSA-N 0 3 287.407 2.168 10 0 CEAEHN C[C@H](CCc1cccc(F)c1)N1CCO[C@@H](CN(C)C)C1 ZINC000248394495 278175980 /nfs/dbraw/zinc/17/59/80/278175980.db2.gz XVIUBGVOCPUGIO-PBHICJAKSA-N 0 3 294.414 2.409 10 0 CEAEHN CC[C@H]([NH2+]C1CC(N(CC)CC(=O)[O-])C1)C1CCCC1 ZINC000263492291 288033779 /nfs/dbraw/zinc/03/37/79/288033779.db2.gz IUCRYZUFLNCSRM-NRXISQOPSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1cc(F)c(F)c(F)c1 ZINC000180602291 278388246 /nfs/dbraw/zinc/38/82/46/278388246.db2.gz RHAXNYXPDKAFLJ-SCZZXKLOSA-N 0 3 296.296 2.361 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@@H](C)c1ccnn1C ZINC000192249606 279133870 /nfs/dbraw/zinc/13/38/70/279133870.db2.gz YVOKFKFFVLEJQC-QWHCGFSZSA-N 0 3 252.406 2.047 10 0 CEAEHN CC[C@@H](SC)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000126167621 279824671 /nfs/dbraw/zinc/82/46/71/279824671.db2.gz PRBGUFWWZFVFEU-VXGBXAGGSA-N 0 3 260.447 2.221 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cncc(C)c1 ZINC000134501221 280024000 /nfs/dbraw/zinc/02/40/00/280024000.db2.gz SEUNMDMYICHHQC-HNNXBMFYSA-N 0 3 290.411 2.016 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000282289574 280040761 /nfs/dbraw/zinc/04/07/61/280040761.db2.gz IYFWKQPONNMSNE-SKDRFNHKSA-N 0 3 286.297 2.462 10 0 CEAEHN Cc1ccccc1CCCN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246960328 280315995 /nfs/dbraw/zinc/31/59/95/280315995.db2.gz OJOLZRJFYRAMSR-IRXDYDNUSA-N 0 3 290.451 2.315 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(N(C)C)c1 ZINC000246973396 288312265 /nfs/dbraw/zinc/31/22/65/288312265.db2.gz DREZXOUWNQTOMF-CJNGLKHVSA-N 0 3 287.407 2.061 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c(C)n1 ZINC000158819024 289240752 /nfs/dbraw/zinc/24/07/52/289240752.db2.gz QOOXHQJOHLOEKU-NHYWBVRUSA-N 0 3 275.396 2.157 10 0 CEAEHN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CC2CCC1C2 ZINC000178512503 289252588 /nfs/dbraw/zinc/25/25/88/289252588.db2.gz PZEIFVZDZBAJHL-ONGXEEELSA-N 0 3 288.322 2.335 10 0 CEAEHN C[C@H]1CC(NC(=O)N2CC[C@H](N(C)C)C2)C[C@H](C)C1 ZINC000172511743 290346456 /nfs/dbraw/zinc/34/64/56/290346456.db2.gz BUKCLRAFRIXQBO-BZPMIXESSA-N 0 3 267.417 2.157 10 0 CEAEHN C[C@H]1CC(NC(=O)[C@@]2(C)CCCCN2)C[C@H](C)C1 ZINC000227695419 290349633 /nfs/dbraw/zinc/34/96/33/290349633.db2.gz FRZYQXKDTKDYBH-LALPHHSUSA-N 0 3 252.402 2.460 10 0 CEAEHN Cc1nc2ccc(F)cc2c(N2CCO[C@@H](CO)C2)c1C ZINC000095944336 293462253 /nfs/dbraw/zinc/46/22/53/293462253.db2.gz OZBRTBOADXQZGE-CYBMUJFWSA-N 0 3 290.338 2.188 10 0 CEAEHN COc1cccc([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282379945 295324933 /nfs/dbraw/zinc/32/49/33/295324933.db2.gz OJMIWJINZRSMSC-MISXGVKJSA-N 0 3 262.353 2.013 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262730761 302159828 /nfs/dbraw/zinc/15/98/28/302159828.db2.gz BLMYOIPEQFUHNC-VDERGJSUSA-N 0 3 272.392 2.307 10 0 CEAEHN Cc1nc(C)c(C(=O)N[C@H](CC(C)C)CN(C)C)s1 ZINC000077730027 302571742 /nfs/dbraw/zinc/57/17/42/302571742.db2.gz JKJFAAFZZKAMKZ-GFCCVEGCSA-N 0 3 283.441 2.466 10 0 CEAEHN COC[C@](C)(O)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000394586624 329127634 /nfs/dbraw/zinc/12/76/34/329127634.db2.gz JZAXRMIOFXSNKJ-TVQRCGJNSA-N 0 3 259.296 2.013 10 0 CEAEHN COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F ZINC000399771084 333249139 /nfs/dbraw/zinc/24/91/39/333249139.db2.gz ZRQLHUBZNNNCEJ-NWDGAFQWSA-N 0 3 269.291 2.173 10 0 CEAEHN CCCN[C@@H](CCN(CC)c1cccc(C)c1)C(N)=O ZINC000062452985 519996450 /nfs/dbraw/zinc/99/64/50/519996450.db2.gz ZRDHDCAGNZLJIN-HNNXBMFYSA-N 0 3 277.412 2.065 10 0 CEAEHN CCNCc1ccccc1OCCOCCOCC ZINC000052604217 520009677 /nfs/dbraw/zinc/00/96/77/520009677.db2.gz QOYRZKNHBNGHEI-UHFFFAOYSA-N 0 3 267.369 2.228 10 0 CEAEHN CCNCc1oc(CN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000052381007 520028813 /nfs/dbraw/zinc/02/88/13/520028813.db2.gz WVQSFBCRVCCIKH-BETUJISGSA-N 0 3 266.385 2.307 10 0 CEAEHN CCC[NH2+][C@@](C)(C[C@H](C)N1CCCCC1)C(=O)[O-] ZINC000068620374 520044479 /nfs/dbraw/zinc/04/44/79/520044479.db2.gz SEKPGRBXDUAMDF-JSGCOSHPSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@@](CN(CC)CCC)(C(=O)OC)C1CC1 ZINC000069098006 520052136 /nfs/dbraw/zinc/05/21/36/520052136.db2.gz CMOWLWZHOUPZKL-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@H]1COc2cc(OC3CCOCC3)ccc21 ZINC000069289594 520123572 /nfs/dbraw/zinc/12/35/72/520123572.db2.gz AYAVQTKZKYENGZ-CQSZACIVSA-N 0 3 263.337 2.287 10 0 CEAEHN CCCCCN(C)C[C@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069098325 520153179 /nfs/dbraw/zinc/15/31/79/520153179.db2.gz PDKZTAHJULSERS-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCN[C@@](CSc1ccc(F)cc1)(C(N)=O)C1CC1 ZINC000069186769 520158211 /nfs/dbraw/zinc/15/82/11/520158211.db2.gz CYONSBNRYMBCNE-CQSZACIVSA-N 0 3 282.384 2.161 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCc1ncon1 ZINC000062746815 520177452 /nfs/dbraw/zinc/17/74/52/520177452.db2.gz UQJCCFKQFCCEAX-SECBINFHSA-N 0 3 265.288 2.458 10 0 CEAEHN CC[N@@H+](CC[C@@H](NC(C)C)C(=O)[O-])C1CCCCC1 ZINC000062439126 521155780 /nfs/dbraw/zinc/15/57/80/521155780.db2.gz PUCZNMDSMLBZHC-CQSZACIVSA-N 0 3 270.417 2.482 10 0 CEAEHN CCCc1nc(N2CCO[C@@H]3CCC[C@@H]32)sc1CN ZINC000054999049 521533717 /nfs/dbraw/zinc/53/37/17/521533717.db2.gz GCWYWAZQMYSLAE-NWDGAFQWSA-N 0 3 281.425 2.312 10 0 CEAEHN CCNC(=O)CCN[C@H]1CCCc2sccc21 ZINC000061362139 521735868 /nfs/dbraw/zinc/73/58/68/521735868.db2.gz FZAZETMIAMPEHL-NSHDSACASA-N 0 3 252.383 2.241 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2ccc(F)c(F)c2)c[nH]1 ZINC000052811252 521834054 /nfs/dbraw/zinc/83/40/54/521834054.db2.gz KUHPJGICQHKWIH-LLVKDONJSA-N 0 3 267.279 2.391 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547331 522304223 /nfs/dbraw/zinc/30/42/23/522304223.db2.gz BIXKEZSHUJBKNF-GIPNMCIBSA-N 0 3 250.342 2.052 10 0 CEAEHN CN[C@](C)(CCSc1cccc(Cl)c1)C(N)=O ZINC000054186486 522517498 /nfs/dbraw/zinc/51/74/98/522517498.db2.gz HTLHHHBALSXFFO-GFCCVEGCSA-N 0 3 272.801 2.286 10 0 CEAEHN CN[C@](CSc1cc(C)ccc1C)(C(N)=O)C1CC1 ZINC000069187989 522532597 /nfs/dbraw/zinc/53/25/97/522532597.db2.gz OJDXJSZNYKOELV-HNNXBMFYSA-N 0 3 278.421 2.249 10 0 CEAEHN CC(C)C[C@@H](CNC(=O)c1ccc2c[nH]nc2c1)N(C)C ZINC000061670510 519211635 /nfs/dbraw/zinc/21/16/35/519211635.db2.gz KKUCDUOOVZSDFK-AWEZNQCLSA-N 0 3 288.395 2.269 10 0 CEAEHN CC(C)CN1CCN(Cc2ccccc2C(N)=S)CC1 ZINC000055079501 519727013 /nfs/dbraw/zinc/72/70/13/519727013.db2.gz LODKRRFCQAZJQM-UHFFFAOYSA-N 0 3 291.464 2.094 10 0 CEAEHN CC(C)CNCc1cc(Cl)ccc1OCCC(N)=O ZINC000062730904 519746775 /nfs/dbraw/zinc/74/67/75/519746775.db2.gz KZEVYSYQTRTEMY-UHFFFAOYSA-N 0 3 284.787 2.340 10 0 CEAEHN CC(C)CNCc1cc2c(cc1OCC(C)(C)O)OCO2 ZINC000062733941 519746980 /nfs/dbraw/zinc/74/69/80/519746980.db2.gz ARXHSFQOKLWMTN-UHFFFAOYSA-N 0 3 295.379 2.311 10 0 CEAEHN CC(C)CNCc1ccc(N(C)CC(C)C)nn1 ZINC000051441886 519747159 /nfs/dbraw/zinc/74/71/59/519747159.db2.gz WIPAYSYYCCVILV-UHFFFAOYSA-N 0 3 250.390 2.314 10 0 CEAEHN CC(C)CNCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000062742434 519748682 /nfs/dbraw/zinc/74/86/82/519748682.db2.gz KBIMDTWYZRPIES-UHFFFAOYSA-N 0 3 275.352 2.470 10 0 CEAEHN CC(C)[C@@H](CN(C)C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049199203 519793915 /nfs/dbraw/zinc/79/39/15/519793915.db2.gz IOOJREFOWQUMFN-HUUCEWRRSA-N 0 3 289.423 2.270 10 0 CEAEHN CC(C)[C@@H](NCc1cnn(CCO)c1)c1ccccc1 ZINC000068690843 519799257 /nfs/dbraw/zinc/79/92/57/519799257.db2.gz LIHPJLQQRDIMAK-MRXNPFEDSA-N 0 3 273.380 2.362 10 0 CEAEHN CC(C)[C@@H]1CC[C@H](O)[C@H](N2CCOC(C)(C)C2)C1 ZINC000054558289 519803534 /nfs/dbraw/zinc/80/35/34/519803534.db2.gz XMGMPRBINHCYFX-MCIONIFRSA-N 0 3 255.402 2.283 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(NC(C)=O)ccc1F ZINC000061290304 519906907 /nfs/dbraw/zinc/90/69/07/519906907.db2.gz OGVHYWGTCRNYST-UHFFFAOYSA-N 0 3 281.331 2.111 10 0 CEAEHN CCCNCc1ccc(CN(C)[C@H](C)COC)o1 ZINC000052511503 519948076 /nfs/dbraw/zinc/94/80/76/519948076.db2.gz LLUKOGFNQDSEJX-GFCCVEGCSA-N 0 3 254.374 2.246 10 0 CEAEHN CCNCc1c(N2CCSC[C@H]2C)nc2ccccn21 ZINC000070220585 519984901 /nfs/dbraw/zinc/98/49/01/519984901.db2.gz FXAGKZHUYYLDIP-GFCCVEGCSA-N 0 3 290.436 2.386 10 0 CEAEHN CCCN[C@@H](C)c1ccc(F)cc1OCC(=O)N(C)C ZINC000062747446 519989471 /nfs/dbraw/zinc/98/94/71/519989471.db2.gz FXQOORNCZUGPFR-NSHDSACASA-N 0 3 282.359 2.353 10 0 CEAEHN CCNCc1cc(CN2CCSCC2)oc1C ZINC000052425539 519990865 /nfs/dbraw/zinc/99/08/65/519990865.db2.gz HJMAPOOIJBTREU-UHFFFAOYSA-N 0 3 254.399 2.246 10 0 CEAEHN CCNCc1cc(Cn2nnc3ccccc32)oc1C ZINC000052576587 519993707 /nfs/dbraw/zinc/99/37/07/519993707.db2.gz YJMPFZIRBPSZIR-UHFFFAOYSA-N 0 3 270.336 2.491 10 0 CEAEHN CCNCc1ccoc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000052540169 520013689 /nfs/dbraw/zinc/01/36/89/520013689.db2.gz GJXOIMIKOUTNGH-KBPBESRZSA-N 0 3 264.369 2.142 10 0 CEAEHN CCNCc1cnc(N2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000054909100 520015027 /nfs/dbraw/zinc/01/50/27/520015027.db2.gz QSECNCIJFVMSEW-STQMWFEESA-N 0 3 281.425 2.400 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1F)[C@H]1COCCO1 ZINC000055300566 520018482 /nfs/dbraw/zinc/01/84/82/520018482.db2.gz BPFOXNJUJBRLCB-KGLIPLIRSA-N 0 3 271.307 2.421 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCc3nccn3C)ccc21 ZINC000062805069 520026897 /nfs/dbraw/zinc/02/68/97/520026897.db2.gz ZFKOSGFJAMZUCL-CQSZACIVSA-N 0 3 287.363 2.432 10 0 CEAEHN CCCN[C@@](C)(CCN1CCCC(C)(C)C1)C(=O)OC ZINC000069516836 520037212 /nfs/dbraw/zinc/03/72/12/520037212.db2.gz PIMPKTXVJJUBAB-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCN[C@H](CN1C(=O)[C@@H]2C[C@@H]2C1=O)c1ccc(C)cc1 ZINC000068689349 520083375 /nfs/dbraw/zinc/08/33/75/520083375.db2.gz SJVCSBRNSWMFFL-QLFBSQMISA-N 0 3 286.375 2.041 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1ccc(C)c(C)c1 ZINC000052885548 520099166 /nfs/dbraw/zinc/09/91/66/520099166.db2.gz IJPQEZCIBQCVGW-HNNXBMFYSA-N 0 3 275.396 2.321 10 0 CEAEHN CCOC[C@@H](O)COc1ccc2ccccc2c1CN ZINC000069275566 520107091 /nfs/dbraw/zinc/10/70/91/520107091.db2.gz NHSQZSGMZYWLMJ-CYBMUJFWSA-N 0 3 275.348 2.075 10 0 CEAEHN CCCNc1cc(CN(CCCOC)CCOC)ccn1 ZINC000052727526 520135630 /nfs/dbraw/zinc/13/56/30/520135630.db2.gz CNAZXJFCJUFSHK-UHFFFAOYSA-N 0 3 295.427 2.388 10 0 CEAEHN CCOC[C@H](O)COc1cc(C)ccc1[C@@H](C)NC ZINC000069276303 520163990 /nfs/dbraw/zinc/16/39/90/520163990.db2.gz IIZGDSQMBQMPIW-OLZOCXBDSA-N 0 3 267.369 2.052 10 0 CEAEHN CCCNc1ncccc1C(=O)N[C@H]1CCCN(CC)C1 ZINC000050777683 520194692 /nfs/dbraw/zinc/19/46/92/520194692.db2.gz VYHHEOJWZFVTNO-ZDUSSCGKSA-N 0 3 290.411 2.118 10 0 CEAEHN CCCNc1snnc1CN1CCN(C(C)(C)C)CC1 ZINC000050817369 520205228 /nfs/dbraw/zinc/20/52/28/520205228.db2.gz OXGLPZLDCCWPDU-UHFFFAOYSA-N 0 3 297.472 2.276 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1OCC)[C@@H]1COCCO1 ZINC000055301431 520205802 /nfs/dbraw/zinc/20/58/02/520205802.db2.gz RLEFWSXZMKGCRC-JKSUJKDBSA-N 0 3 279.380 2.460 10 0 CEAEHN CCO[C@H]1CCCN([C@@H]2CNCc3ccccc32)C1 ZINC000069266479 520525812 /nfs/dbraw/zinc/52/58/12/520525812.db2.gz DORBPCVHOQTKAP-GOEBONIOSA-N 0 3 260.381 2.332 10 0 CEAEHN CCN(CC)CCN[C@@]1(C(=O)OC)C[C@@H](C)CC[C@@H]1C ZINC000068631282 520689172 /nfs/dbraw/zinc/68/91/72/520689172.db2.gz QAEDJDYHZWPBMA-DZKIICNBSA-N 0 3 284.444 2.286 10 0 CEAEHN CCN(CC)CCOc1nc(Cl)nc(OC(C)C)n1 ZINC000061521875 520701410 /nfs/dbraw/zinc/70/14/10/520701410.db2.gz UOOLKEBIOBFPJK-UHFFFAOYSA-N 0 3 288.779 2.033 10 0 CEAEHN CC[N@H+](CC[C@@H](NC(C)C)C(=O)[O-])C1CCCCC1 ZINC000062439126 521155775 /nfs/dbraw/zinc/15/57/75/521155775.db2.gz PUCZNMDSMLBZHC-CQSZACIVSA-N 0 3 270.417 2.482 10 0 CEAEHN CCOC(=O)[C@@](CN(C)CC(C)C)(NC(C)C)C1CC1 ZINC000069096671 521164987 /nfs/dbraw/zinc/16/49/87/521164987.db2.gz LVPHQOIPEHJOGN-INIZCTEOSA-N 0 3 284.444 2.284 10 0 CEAEHN CCN(C[C@@H]1CCCO1)c1ccccc1CNCCOC ZINC000062737158 521228927 /nfs/dbraw/zinc/22/89/27/521228927.db2.gz YDQGEJWQDNJWIV-INIZCTEOSA-N 0 3 292.423 2.428 10 0 CEAEHN CCOc1ccc([C@H](NC)[C@@H]2COCCO2)cc1OCC ZINC000055299469 521264078 /nfs/dbraw/zinc/26/40/78/521264078.db2.gz JTQDPKPSUUQUCI-HOTGVXAUSA-N 0 3 295.379 2.160 10 0 CEAEHN CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@@H](C)NC ZINC000052395748 521405027 /nfs/dbraw/zinc/40/50/27/521405027.db2.gz RFEVZTVZJSRVFH-MRVPVSSYSA-N 0 3 296.392 2.349 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2NC)C1 ZINC000053003480 521623482 /nfs/dbraw/zinc/62/34/82/521623482.db2.gz BVTKWYCYKSJZSC-CYBMUJFWSA-N 0 3 275.396 2.251 10 0 CEAEHN CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1NC ZINC000053000603 521656177 /nfs/dbraw/zinc/65/61/77/521656177.db2.gz ZIKBJUZYGWYNIP-ZDUSSCGKSA-N 0 3 275.396 2.251 10 0 CEAEHN CCC1(C)CCN(C[C@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069232495 521678047 /nfs/dbraw/zinc/67/80/47/521678047.db2.gz QKXYKAXGVDXCAM-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCN1C(=O)C[C@H](N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000070293310 521699855 /nfs/dbraw/zinc/69/98/55/521699855.db2.gz LJAAIIGCFGLBLU-GWCFXTLKSA-N 0 3 272.270 2.115 10 0 CEAEHN CC[C@H](C)SC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069185083 521782044 /nfs/dbraw/zinc/78/20/44/521782044.db2.gz VAHRXQKNFNFZNO-GWCFXTLKSA-N 0 3 258.431 2.150 10 0 CEAEHN CCc1cccc(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)c1 ZINC000068654354 521782871 /nfs/dbraw/zinc/78/28/71/521782871.db2.gz MBSMALPVJGISAL-SJCJKPOMSA-N 0 3 290.407 2.402 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000153393324 521837684 /nfs/dbraw/zinc/83/76/84/521837684.db2.gz SQGHJOIUMKONID-IINYFYTJSA-N 0 3 274.368 2.368 10 0 CEAEHN COC(=O)c1cc(CNC2(CO)CCC(C)CC2)oc1C ZINC000053113903 521854921 /nfs/dbraw/zinc/85/49/21/521854921.db2.gz XYWVURFXLIXXEV-UHFFFAOYSA-N 0 3 295.379 2.405 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000061316761 521942743 /nfs/dbraw/zinc/94/27/43/521942743.db2.gz PTHWTVHOQPMASE-UHFFFAOYSA-N 0 3 269.776 2.343 10 0 CEAEHN CC[C@@H](C)N(CCOC)C(=O)[C@H](CN)c1ccccc1 ZINC000061612986 522088928 /nfs/dbraw/zinc/08/89/28/522088928.db2.gz AXJUSWXEBPOZEL-UKRRQHHQSA-N 0 3 278.396 2.002 10 0 CEAEHN CC[C@@H](C)N(CCOC)c1ncc(CNC)s1 ZINC000054908613 522094401 /nfs/dbraw/zinc/09/44/01/522094401.db2.gz CETFXMZMBZANDC-SNVBAGLBSA-N 0 3 257.403 2.114 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccccc2C(N)=S)CC1 ZINC000055080609 522133345 /nfs/dbraw/zinc/13/33/45/522133345.db2.gz FUHJUYKSYCLPOA-GFCCVEGCSA-N 0 3 277.437 2.241 10 0 CEAEHN CNCc1nc(CN(CC(C)C)C2CC2)cs1 ZINC000052515513 522150777 /nfs/dbraw/zinc/15/07/77/522150777.db2.gz POSRWJCMGOLZEF-UHFFFAOYSA-N 0 3 253.415 2.483 10 0 CEAEHN COC[C@@H](C)N(C)Cc1ccoc1CNC(C)C ZINC000052511570 522220637 /nfs/dbraw/zinc/22/06/37/522220637.db2.gz WEVJOIAHGLOITN-GFCCVEGCSA-N 0 3 254.374 2.244 10 0 CEAEHN CC[C@@H](C)N[C@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503199 522232898 /nfs/dbraw/zinc/23/28/98/522232898.db2.gz KTUWABCOQNARLR-YGRLFVJLSA-N 0 3 257.337 2.149 10 0 CEAEHN CC[C@@H](C)N[C@@H](C(N)=O)c1cccc2cccnc21 ZINC000069503195 522233858 /nfs/dbraw/zinc/23/38/58/522233858.db2.gz PSQJQSCWTLLARY-QMTHXVAHSA-N 0 3 257.337 2.149 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1cc(OC)ccc1OC)C(F)(F)F ZINC000062784739 522342137 /nfs/dbraw/zinc/34/21/37/522342137.db2.gz IPRBNDSWCBOPEY-RYUDHWBXSA-N 0 3 293.285 2.191 10 0 CEAEHN CCc1nc(N2CCCSCC2)sc1CN ZINC000055002175 522386132 /nfs/dbraw/zinc/38/61/32/522386132.db2.gz LUZODVGINPHGOW-UHFFFAOYSA-N 0 3 257.428 2.108 10 0 CEAEHN CCc1nc(N2CCO[C@@H]3CCC[C@@H]32)sc1CNC ZINC000054999095 522387601 /nfs/dbraw/zinc/38/76/01/522387601.db2.gz MXAUWZZISFPEQP-NWDGAFQWSA-N 0 3 281.425 2.183 10 0 CEAEHN CN[C@@](CO[C@@H]1C[C@@H](C)CC(C)(C)C1)(C(N)=O)C1CC1 ZINC000069195635 522428480 /nfs/dbraw/zinc/42/84/80/522428480.db2.gz KIFJPQIPGRPNRL-AXAPSJFSSA-N 0 3 282.428 2.071 10 0 CEAEHN CN[C@@](CSCc1ccccc1C)(C(N)=O)C1CC1 ZINC000069189776 522432167 /nfs/dbraw/zinc/43/21/67/522432167.db2.gz UHDTYFSPTTYGPG-OAHLLOKOSA-N 0 3 278.421 2.082 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC(C)C ZINC000062746491 522447032 /nfs/dbraw/zinc/44/70/32/522447032.db2.gz DAKVXMDTIRDYNR-MNOVXSKESA-N 0 3 282.359 2.398 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)OC ZINC000062746145 522447388 /nfs/dbraw/zinc/44/73/88/522447388.db2.gz AWEPHKQBYOKRNA-RKDXNWHRSA-N 0 3 255.289 2.046 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1noc(C)n1 ZINC000062746220 522447499 /nfs/dbraw/zinc/44/74/99/522447499.db2.gz DHVLKLWBISGPJE-MRVPVSSYSA-N 0 3 265.288 2.377 10 0 CEAEHN CN[C@H](CN1CCN(C)C1=O)c1ccc2ccccc2c1 ZINC000052885686 522465855 /nfs/dbraw/zinc/46/58/55/522465855.db2.gz ICCLATCUMSNECP-MRXNPFEDSA-N 0 3 283.375 2.468 10 0 CEAEHN CN[C@](C)(C[C@@H](C)Oc1cccc2ccccc21)C(N)=O ZINC000068656752 522521454 /nfs/dbraw/zinc/52/14/54/522521454.db2.gz WALWPZMJMJDTFP-SJKOYZFVSA-N 0 3 286.375 2.461 10 0 CEAEHN CN[C@](C)(C[C@H](C)Oc1cccc(C(C)C)c1)C(N)=O ZINC000068655341 522522820 /nfs/dbraw/zinc/52/28/20/522522820.db2.gz ZVSKHCPWVVVPBE-BLLLJJGKSA-N 0 3 278.396 2.431 10 0 CEAEHN COc1cc(F)ccc1N[C@H]1CN2CCC1CC2 ZINC000049564013 522617130 /nfs/dbraw/zinc/61/71/30/522617130.db2.gz MWDPGYHWOIKFDZ-ZDUSSCGKSA-N 0 3 250.317 2.340 10 0 CEAEHN CNc1ccc(Cl)cc1C(=O)NC[C@@H](C)N(C)C ZINC000050780028 522627096 /nfs/dbraw/zinc/62/70/96/522627096.db2.gz LKUIVSHWMHYCLI-SECBINFHSA-N 0 3 269.776 2.062 10 0 CEAEHN COC1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069146986 522709410 /nfs/dbraw/zinc/70/94/10/522709410.db2.gz KIHUCRXGZNSXLB-UHFFFAOYSA-N 0 3 267.398 2.094 10 0 CEAEHN CCC1N=NC(=S)N1[C@@H](C)CN1CCCCC1 ZINC000049502270 522781072 /nfs/dbraw/zinc/78/10/72/522781072.db2.gz YGVJSZHZOAZJJY-JTQLQIEISA-N 0 3 254.403 2.176 10 0 CEAEHN COC(=O)CCOc1ccc(Cl)cc1[C@H](C)N ZINC000069317402 523105351 /nfs/dbraw/zinc/10/53/51/523105351.db2.gz ZBFVWHGKYHQFRA-QMMMGPOBSA-N 0 3 257.717 2.302 10 0 CEAEHN CN(Cc1cc(F)ccc1C(N)=S)CC1CCOCC1 ZINC000069403312 523180956 /nfs/dbraw/zinc/18/09/56/523180956.db2.gz FZKDKKPIFMZNLZ-UHFFFAOYSA-N 0 3 296.411 2.318 10 0 CEAEHN CC[C@@H]1CCCN(Cc2csc(CNC)n2)C1 ZINC000052479577 523252505 /nfs/dbraw/zinc/25/25/05/523252505.db2.gz GKYZWMWYZGVPJE-LLVKDONJSA-N 0 3 253.415 2.485 10 0 CEAEHN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1 ZINC000068602953 523302520 /nfs/dbraw/zinc/30/25/20/523302520.db2.gz XILOCCPMIRCXAW-INWMFGNUSA-N 0 3 290.407 2.347 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710109 523335554 /nfs/dbraw/zinc/33/55/54/523335554.db2.gz YHGRMMKCOBDLKC-GWCFXTLKSA-N 0 3 288.313 2.215 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1c1ncc([C@@H](C)NC)s1 ZINC000054908826 523353388 /nfs/dbraw/zinc/35/33/88/523353388.db2.gz FRSJZEPGIJBEHK-MXWKQRLJSA-N 0 3 269.414 2.427 10 0 CEAEHN CCn1ccnc1COc1c(CNC)cccc1OC ZINC000054743535 523541820 /nfs/dbraw/zinc/54/18/20/523541820.db2.gz MYPPFNSKLBLZCT-UHFFFAOYSA-N 0 3 275.352 2.210 10 0 CEAEHN COCCN(C)CCN[C@H](C)c1c(F)cccc1F ZINC000061375081 523610509 /nfs/dbraw/zinc/61/05/09/523610509.db2.gz WKSABRLSFCGMPJ-LLVKDONJSA-N 0 3 272.339 2.194 10 0 CEAEHN COCCN(C)CCNc1ncccc1C(F)(F)F ZINC000061379747 523617551 /nfs/dbraw/zinc/61/75/51/523617551.db2.gz LMEJUFGUZFJLRK-UHFFFAOYSA-N 0 3 277.290 2.091 10 0 CEAEHN COCCN(CCOC)C[C@H]1C[C@@H](C(C)C)CCC1=O ZINC000054559294 523716743 /nfs/dbraw/zinc/71/67/43/523716743.db2.gz ZAGRHOKCJWHGSV-LSDHHAIUSA-N 0 3 285.428 2.223 10 0 CEAEHN COCCN(CCOC)Cc1ccc(CNC(C)(C)C)o1 ZINC000052571401 523719247 /nfs/dbraw/zinc/71/92/47/523719247.db2.gz IXKLPCZHADODDG-UHFFFAOYSA-N 0 3 298.427 2.263 10 0 CEAEHN COCCN(Cc1cc(C)c(CN)o1)[C@@H](C)C1CC1 ZINC000052545385 523741008 /nfs/dbraw/zinc/74/10/08/523741008.db2.gz QBADOKMQNQPCBI-LBPRGKRZSA-N 0 3 266.385 2.294 10 0 CEAEHN COCCN(Cc1nc(NN)ccc1Cl)CC(C)C ZINC000061631304 523774186 /nfs/dbraw/zinc/77/41/86/523774186.db2.gz KUNBPLBJCRHXFH-UHFFFAOYSA-N 0 3 286.807 2.125 10 0 CEAEHN COC(=O)[C@@](C)(N)CCCCN1Cc2ccccc2C1 ZINC000050912338 523816292 /nfs/dbraw/zinc/81/62/92/523816292.db2.gz JZKZQWYDAGPBLG-INIZCTEOSA-N 0 3 276.380 2.063 10 0 CEAEHN COCCNCc1c(OCCCO)ccc2ccccc21 ZINC000062732189 523949144 /nfs/dbraw/zinc/94/91/44/523949144.db2.gz SNZHDFWHSKLHES-UHFFFAOYSA-N 0 3 289.375 2.337 10 0 CEAEHN COCCNCc1cc(F)ccc1-n1nc(C)cc1C ZINC000062738581 523950652 /nfs/dbraw/zinc/95/06/52/523950652.db2.gz XXEUNCQSERYNAH-UHFFFAOYSA-N 0 3 277.343 2.364 10 0 CEAEHN COCCNCc1cccc(OCCOC(C)C)c1 ZINC000062731754 523954125 /nfs/dbraw/zinc/95/41/25/523954125.db2.gz ITUJGSZAYQZLLW-UHFFFAOYSA-N 0 3 267.369 2.226 10 0 CEAEHN COCCNCc1ccccc1-n1ccc(C2CC2)n1 ZINC000062738975 523954385 /nfs/dbraw/zinc/95/43/85/523954385.db2.gz YWHFZLQGZLFBMH-UHFFFAOYSA-N 0 3 271.364 2.486 10 0 CEAEHN COCCNCc1cccc(OCc2cccnc2)c1 ZINC000062731596 523955024 /nfs/dbraw/zinc/95/50/24/523955024.db2.gz LBFNVTBUSDVYCN-UHFFFAOYSA-N 0 3 272.348 2.397 10 0 CEAEHN COCCNCc1cnc(-c2ccc(C)c(F)c2)nc1 ZINC000054856811 523955906 /nfs/dbraw/zinc/95/59/06/523955906.db2.gz VNCVIHWKHPWGQR-UHFFFAOYSA-N 0 3 275.327 2.327 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H](CN)c2ccc(C)o2)CC1 ZINC000055064068 523958049 /nfs/dbraw/zinc/95/80/49/523958049.db2.gz PQQYXDSCBQZTQE-JSGCOSHPSA-N 0 3 265.401 2.004 10 0 CEAEHN CC[C@H](C)N1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069181946 523962164 /nfs/dbraw/zinc/96/21/64/523962164.db2.gz ZMVRUWALXYNLCN-NSHDSACASA-N 0 3 294.468 2.400 10 0 CEAEHN CN1CC[C@@H](Nc2nc(Cl)nc3ccccc32)C1 ZINC000052811655 523969592 /nfs/dbraw/zinc/96/95/92/523969592.db2.gz XLYPYAVAWAEWIL-SECBINFHSA-N 0 3 262.744 2.399 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccc(OC)c(C)c1 ZINC000049532035 524003440 /nfs/dbraw/zinc/00/34/40/524003440.db2.gz KORVLQJMTMAAFZ-NSHDSACASA-N 0 3 250.342 2.330 10 0 CEAEHN COCCO[C@@H](CNC1CC1)c1ccccc1F ZINC000050495983 524028903 /nfs/dbraw/zinc/02/89/03/524028903.db2.gz LXCIXKRINYGWQU-AWEZNQCLSA-N 0 3 253.317 2.282 10 0 CEAEHN COc1ccc(Cn2ccnc2CNC(C)C)cc1OC ZINC000051005669 524264532 /nfs/dbraw/zinc/26/45/32/524264532.db2.gz SSSJLNNSZJUYOY-UHFFFAOYSA-N 0 3 289.379 2.447 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051093483 524277493 /nfs/dbraw/zinc/27/74/93/524277493.db2.gz LNLCENHZWCOMCN-RKDXNWHRSA-N 0 3 282.775 2.424 10 0 CEAEHN C[C@H](CN1CCCC1)N1C(=S)N=NC1c1ccccn1 ZINC000049184530 524322117 /nfs/dbraw/zinc/32/21/17/524322117.db2.gz WECBGYFMUVNREU-LLVKDONJSA-N 0 3 289.408 2.286 10 0 CEAEHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(Cl)cc1N ZINC000050443139 524567536 /nfs/dbraw/zinc/56/75/36/524567536.db2.gz ARFOSESMCWBTEG-MWLCHTKSSA-N 0 3 281.787 2.008 10 0 CEAEHN C[C@H]1CN(C)c2ccc(Br)cc2CN1 ZINC000062625823 524569408 /nfs/dbraw/zinc/56/94/08/524569408.db2.gz UWFSHICMHKHZLM-QMMMGPOBSA-N 0 3 255.159 2.377 10 0 CEAEHN Cc1cc(C)nc(Sc2nnc(C)c(C)c2CN)n1 ZINC000051607672 524604847 /nfs/dbraw/zinc/60/48/47/524604847.db2.gz ZXKYQPHWHSBPHE-UHFFFAOYSA-N 0 3 275.381 2.110 10 0 CEAEHN Cc1cccc(NC(=O)[C@H](CN)c2ccccc2)n1 ZINC000061611006 524653939 /nfs/dbraw/zinc/65/39/39/524653939.db2.gz BZOBMYJDVBRMQO-CYBMUJFWSA-N 0 3 255.321 2.071 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc2c(s1)CCCC2 ZINC000069133097 524696875 /nfs/dbraw/zinc/69/68/75/524696875.db2.gz NLFZNFYYYJUSQS-QWRGUYRKSA-N 0 3 278.421 2.449 10 0 CEAEHN Cc1cccc(OCC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000155752377 524720336 /nfs/dbraw/zinc/72/03/36/524720336.db2.gz NUJCXRKUWMKFMD-HOCLYGCPSA-N 0 3 290.407 2.219 10 0 CEAEHN Cc1cccc(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1C ZINC000068655474 524784245 /nfs/dbraw/zinc/78/42/45/524784245.db2.gz NWWRKMDTJFWBGT-SJKOYZFVSA-N 0 3 290.407 2.457 10 0 CEAEHN Cc1ccc(F)c([C@@]([O-])([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784289 524835145 /nfs/dbraw/zinc/83/51/45/524835145.db2.gz KMKBGQKHOHWQSY-XVKPBYJWSA-N 0 3 251.223 2.231 10 0 CEAEHN C[C@H]([NH3+])[C@@]([O-])(c1ccccc1Cl)C(F)(F)F ZINC000062784753 524848546 /nfs/dbraw/zinc/84/85/46/524848546.db2.gz IUIMTKDSDKFNOE-IMTBSYHQSA-N 0 3 253.651 2.437 10 0 CEAEHN C[C@H]1C[C@@H]1NCC(=O)Nc1ccc(Br)cc1 ZINC000052287719 524852167 /nfs/dbraw/zinc/85/21/67/524852167.db2.gz SVMXRQCHIPDCJI-KWQFWETISA-N 0 3 283.169 2.386 10 0 CEAEHN C[C@H]1Cc2ccccc2N1c1ccnc(C(=N)N)c1 ZINC000061813999 524995465 /nfs/dbraw/zinc/99/54/65/524995465.db2.gz LOPAYDVJPCJULH-JTQLQIEISA-N 0 3 252.321 2.448 10 0 CEAEHN C[C@@H]([NH3+])[C@]([O-])(c1cnc2ccccc2c1)C(F)(F)F ZINC000062784202 525024472 /nfs/dbraw/zinc/02/44/72/525024472.db2.gz QKDDWJIFYXKEIC-PELKAZGASA-N 0 3 270.254 2.332 10 0 CEAEHN C[C@@H]1COCCN1c1nc(-c2ccccc2)c(CN)s1 ZINC000054997366 525129887 /nfs/dbraw/zinc/12/98/87/525129887.db2.gz NFIHJVLKBUYRLD-LLVKDONJSA-N 0 3 289.404 2.494 10 0 CEAEHN C[C@](N)(C(=O)N[C@H]1CCCc2sccc21)C1CC1 ZINC000061365849 525144255 /nfs/dbraw/zinc/14/42/55/525144255.db2.gz FIOMVLHPWQBEOP-SMDDNHRTSA-N 0 3 264.394 2.369 10 0 CEAEHN Cc1ccccc1CSCC[C@@H](NC(C)C)C(N)=O ZINC000062603967 525184041 /nfs/dbraw/zinc/18/40/41/525184041.db2.gz MTGQSUGQVOVEJE-CQSZACIVSA-N 0 3 280.437 2.470 10 0 CEAEHN COc1ccc([C@@H](O)[C@H](N)c2ccccc2)c(OC)c1 ZINC000054682430 525208774 /nfs/dbraw/zinc/20/87/74/525208774.db2.gz ISMDOTMBGOSBDD-HZPDHXFCSA-N 0 3 273.332 2.437 10 0 CEAEHN Cc1ccc(NS(=O)(=O)C[C@H]2CCCCN2)cc1F ZINC000049630864 525293382 /nfs/dbraw/zinc/29/33/82/525293382.db2.gz JGZORTLZSMKJKA-GFCCVEGCSA-N 0 3 286.372 2.018 10 0 CEAEHN C[C@@H](NCC(=O)NCc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000183151918 525411851 /nfs/dbraw/zinc/41/18/51/525411851.db2.gz UCOGHJNGZZVCBA-BXUZGUMPSA-N 0 3 296.798 2.113 10 0 CEAEHN Cc1ccc(SCC[C@@H](NC2CC2)C(N)=O)cc1 ZINC000062598282 525660170 /nfs/dbraw/zinc/66/01/70/525660170.db2.gz SMVVHZUPFWMUMM-CYBMUJFWSA-N 0 3 264.394 2.083 10 0 CEAEHN Cc1ccc(SCC[C@@H](NC(C)C)C(N)=O)cc1 ZINC000062598305 525660193 /nfs/dbraw/zinc/66/01/93/525660193.db2.gz WFRYNFSULIYMKN-CYBMUJFWSA-N 0 3 266.410 2.329 10 0 CEAEHN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2CN)o1 ZINC000049204553 525739849 /nfs/dbraw/zinc/73/98/49/525739849.db2.gz DAJIPIZBMLVPOK-LLVKDONJSA-N 0 3 294.376 2.086 10 0 CEAEHN COc1cccc(CN2CCNC[C@@H]2c2ccccc2)n1 ZINC000068696109 525948700 /nfs/dbraw/zinc/94/87/00/525948700.db2.gz KQVKDWHWZIYYOY-MRXNPFEDSA-N 0 3 283.375 2.237 10 0 CEAEHN COc1cccc(Cn2ccnc2CNC(C)C)c1 ZINC000051014747 526110468 /nfs/dbraw/zinc/11/04/68/526110468.db2.gz HTSQWSDGTBEKDK-UHFFFAOYSA-N 0 3 259.353 2.438 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c([O-])c1 ZINC000049560329 526196260 /nfs/dbraw/zinc/19/62/60/526196260.db2.gz HNZOUVBDKNDHLW-ZDUSSCGKSA-N 0 3 278.396 2.407 10 0 CEAEHN O[C@H](CNCCC(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000063099955 526276350 /nfs/dbraw/zinc/27/63/50/526276350.db2.gz NIVBLYPBESFKSW-SNVBAGLBSA-N 0 3 291.269 2.033 10 0 CEAEHN Cc1noc(COc2cc(F)ccc2[C@@H](C)N)n1 ZINC000062745344 526626099 /nfs/dbraw/zinc/62/60/99/526626099.db2.gz UNESAPKBZPMFJR-SSDOTTSWSA-N 0 3 251.261 2.116 10 0 CEAEHN Cc1oc(CN2CCO[C@H]3CCCC[C@@H]32)cc1CN ZINC000052573112 526770774 /nfs/dbraw/zinc/77/07/74/526770774.db2.gz NLYNRUUFKMTBMV-GJZGRUSLSA-N 0 3 264.369 2.190 10 0 CEAEHN Cc1oc(CNC(C)(C)C)cc1CN1CCN(C)CC1 ZINC000052379573 526775344 /nfs/dbraw/zinc/77/53/44/526775344.db2.gz DZLGSJQTTIOXEJ-UHFFFAOYSA-N 0 3 279.428 2.224 10 0 CEAEHN N=C(N)c1ncccc1COc1ccc(F)c(F)c1 ZINC000061658778 526824952 /nfs/dbraw/zinc/82/49/52/526824952.db2.gz ZACITUFEBVBPDV-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN Cc1nc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)c[nH]1 ZINC000054822222 526890683 /nfs/dbraw/zinc/89/06/83/526890683.db2.gz LMWXXOSJMVOOBC-VIFPVBQESA-N 0 3 273.340 2.060 10 0 CEAEHN Cc1ncc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)[nH]1 ZINC000054822222 526890689 /nfs/dbraw/zinc/89/06/89/526890689.db2.gz LMWXXOSJMVOOBC-VIFPVBQESA-N 0 3 273.340 2.060 10 0 CEAEHN Cc1nc(Cc2cccnc2)nc(C)c1CNC1CC1 ZINC000054854357 526929320 /nfs/dbraw/zinc/92/93/20/526929320.db2.gz OPCJSYQEXDDOHV-UHFFFAOYSA-N 0 3 268.364 2.331 10 0 CEAEHN Cc1nc(N2C[C@@H](C)OC[C@@H]2C)sc1[C@@H](C)N ZINC000054895557 526973530 /nfs/dbraw/zinc/97/35/30/526973530.db2.gz TVKRGJBKDDTRMC-DJLDLDEBSA-N 0 3 255.387 2.085 10 0 CEAEHN O=C(Nc1ccc(CCO)cc1)c1ccc2c(c1)CNC2 ZINC000156728005 527166973 /nfs/dbraw/zinc/16/69/73/527166973.db2.gz URVGJUPNFIPJKC-UHFFFAOYSA-N 0 3 282.343 2.077 10 0 CEAEHN NCc1ccnc(-c2ccccc2Br)n1 ZINC000054791070 527260685 /nfs/dbraw/zinc/26/06/85/527260685.db2.gz QCAFYCNDKRGKNK-UHFFFAOYSA-N 0 3 264.126 2.365 10 0 CEAEHN NCc1occc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000052418210 527268305 /nfs/dbraw/zinc/26/83/05/527268305.db2.gz NBLXXYCPCVPRTN-UHFFFAOYSA-N 0 3 289.354 2.200 10 0 CEAEHN Cn1cc([C@H](N)C2(c3ccccc3)CCOCC2)cn1 ZINC000062783645 527313713 /nfs/dbraw/zinc/31/37/13/527313713.db2.gz OSHKEDNCOTUQHG-HNNXBMFYSA-N 0 3 271.364 2.168 10 0 CEAEHN N[C@@H](CN1Cc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000050911031 527331485 /nfs/dbraw/zinc/33/14/85/527331485.db2.gz IQTHKWPXBABJCQ-HNNXBMFYSA-N 0 3 282.343 2.431 10 0 CEAEHN N[C@@H]1COc2cc(OC[C@@H](O)c3ccccc3)ccc21 ZINC000062803659 527376397 /nfs/dbraw/zinc/37/63/97/527376397.db2.gz OOOHVHBBKAXODN-HUUCEWRRSA-N 0 3 271.316 2.191 10 0 CEAEHN N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1COCCO1 ZINC000055299132 527391610 /nfs/dbraw/zinc/39/16/10/527391610.db2.gz GBANYBUJRQHRND-GHMZBOCLSA-N 0 3 262.136 2.409 10 0 CEAEHN N[C@H]1COc2cc(OC[C@@H](O)c3ccccc3)ccc21 ZINC000062803657 527417457 /nfs/dbraw/zinc/41/74/57/527417457.db2.gz OOOHVHBBKAXODN-LSDHHAIUSA-N 0 3 271.316 2.191 10 0 CEAEHN N[C@H]1Cc2ccccc2N(C(=O)c2ccc(F)cc2)C1 ZINC000070195727 527420145 /nfs/dbraw/zinc/42/01/45/527420145.db2.gz PVYCORJDFMTZJL-AWEZNQCLSA-N 0 3 270.307 2.356 10 0 CEAEHN Cn1cnnc1Sc1cc(Cl)ccc1CN ZINC000062787250 527529752 /nfs/dbraw/zinc/52/97/52/527529752.db2.gz ZOTVHOQQRFUGLH-UHFFFAOYSA-N 0 3 254.746 2.078 10 0 CEAEHN OCc1cccc(O[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000061702233 527637736 /nfs/dbraw/zinc/63/77/36/527637736.db2.gz GNFGZACQHPUPLI-MRXNPFEDSA-N 0 3 284.359 2.227 10 0 CEAEHN CCCn1ccc(CNCCC(=O)N2CCCCC2)c1 ZINC000123742312 528849089 /nfs/dbraw/zinc/84/90/89/528849089.db2.gz DSSQKILKCPHWSI-UHFFFAOYSA-N 0 3 277.412 2.390 10 0 CEAEHN CC[C@@H](O)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000132819377 529223807 /nfs/dbraw/zinc/22/38/07/529223807.db2.gz XUALYNBJEFGGTL-GXFFZTMASA-N 0 3 253.390 2.331 10 0 CEAEHN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)[C@@H]1CCCO1 ZINC000119949633 538814617 /nfs/dbraw/zinc/81/46/17/538814617.db2.gz KKUQVVGZUZCUHH-IPYPFGDCSA-N 0 3 297.420 2.006 10 0 CEAEHN CC1(C)CN[C@@]2(CCCSC2)OC12CCOCC2 ZINC000757139850 574510183 /nfs/dbraw/zinc/51/01/83/574510183.db2.gz HUUMUSIBYODMEI-AWEZNQCLSA-N 0 3 271.426 2.405 10 0 CEAEHN CCCN(CCC)S(=O)(=O)C[C@@H](N)C1CCCCC1 ZINC000757152415 574510847 /nfs/dbraw/zinc/51/08/47/574510847.db2.gz LTRMPZJEOSWJBB-CQSZACIVSA-N 0 3 290.473 2.346 10 0 CEAEHN CCN[S@@](=O)(=N[C@@H](C)CC)c1ccc(N)cc1 ZINC000675073907 574511255 /nfs/dbraw/zinc/51/12/55/574511255.db2.gz BWVMSMAMOTTWKC-DYZYQPBXSA-N 0 3 255.387 2.419 10 0 CEAEHN OC[C@@H]1C[C@H]1NCc1ccc(Br)c(F)c1 ZINC000308913651 625675419 /nfs/dbraw/zinc/67/54/19/625675419.db2.gz GIQKVXVOBVUJQE-GZMMTYOYSA-N 0 3 274.133 2.059 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)CC2CC2)cc1F ZINC000311363554 627648161 /nfs/dbraw/zinc/64/81/61/627648161.db2.gz PIUQYHMRCQKYEU-HZMBPMFUSA-N 0 3 264.344 2.439 10 0 CEAEHN CCN1CCN(C[C@H](O)c2cc3ccccc3o2)C[C@@H]1C ZINC000110735733 632249879 /nfs/dbraw/zinc/24/98/79/632249879.db2.gz XXTLTKJEPPJFOR-ZFWWWQNUSA-N 0 3 288.391 2.492 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2cnn(CC)c2c1 ZINC000153393247 640483327 /nfs/dbraw/zinc/48/33/27/640483327.db2.gz SQGHJOIUMKONID-QMTHXVAHSA-N 0 3 274.368 2.368 10 0 CEAEHN Cc1csc(Sc2c(CN)c(C)nn2C)n1 ZINC000082583877 178120172 /nfs/dbraw/zinc/12/01/72/178120172.db2.gz ATSSXQOFMZFBPK-UHFFFAOYSA-N 0 3 254.384 2.103 10 0 CEAEHN CN1CCCC[C@@H]1CNc1ncc(Br)cn1 ZINC000082662046 178150264 /nfs/dbraw/zinc/15/02/64/178150264.db2.gz WRKVHLORMXXQMC-SNVBAGLBSA-N 0 3 285.189 2.135 10 0 CEAEHN NCc1cc(Br)ccc1OC[C@@H]1CCCO1 ZINC000034957932 361799959 /nfs/dbraw/zinc/79/99/59/361799959.db2.gz XZUHBGMLOBVERL-NSHDSACASA-N 0 3 286.169 2.466 10 0 CEAEHN Cn1cc([C@H](N)c2cccc(Br)c2)cn1 ZINC000034957616 361799982 /nfs/dbraw/zinc/79/99/82/361799982.db2.gz HDCLLWGDKBAENC-LLVKDONJSA-N 0 3 266.142 2.231 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C1(CCOC)CCC1 ZINC000121806725 365617988 /nfs/dbraw/zinc/61/79/88/365617988.db2.gz XRNJHCYQYAODTK-CQSZACIVSA-N 0 3 282.428 2.136 10 0 CEAEHN C[S@](=O)C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000082755577 178278119 /nfs/dbraw/zinc/27/81/19/178278119.db2.gz HYCWZCBZCYHBHZ-JDNHERCYSA-N 0 3 251.273 2.084 10 0 CEAEHN C[C@@](N)(c1nc2cc(Br)cnc2[nH]1)C1CC1 ZINC000082757360 178278220 /nfs/dbraw/zinc/27/82/20/178278220.db2.gz ZIMATGKCXFBHOU-NSHDSACASA-N 0 3 281.157 2.304 10 0 CEAEHN CN[C@](C)(C[C@@H](C)Sc1cccs1)C(N)=O ZINC000082797657 178301188 /nfs/dbraw/zinc/30/11/88/178301188.db2.gz MCYJHPBGMLKWIS-LDYMZIIASA-N 0 3 258.412 2.082 10 0 CEAEHN CCn1nccc1CN[C@@H](CN(C)C)c1ccccc1 ZINC000125142658 187172052 /nfs/dbraw/zinc/17/20/52/187172052.db2.gz HMOPNBUGYMABMS-INIZCTEOSA-N 0 3 272.396 2.296 10 0 CEAEHN CN(C)C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)CCO1 ZINC000245505052 282128275 /nfs/dbraw/zinc/12/82/75/282128275.db2.gz FOFWBDAMACBYAP-WBVHZDCISA-N 0 3 292.398 2.466 10 0 CEAEHN Cc1ccc(N2CCN(CC(C)(C)O)CC2)cc1C ZINC000125668407 365683104 /nfs/dbraw/zinc/68/31/04/365683104.db2.gz YKGHWBISAQAFJA-UHFFFAOYSA-N 0 3 262.397 2.196 10 0 CEAEHN N[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000096951047 185139343 /nfs/dbraw/zinc/13/93/43/185139343.db2.gz BGABOZASOBRRCL-NEPJUHHUSA-N 0 3 258.287 2.398 10 0 CEAEHN CCc1ccc([C@H](C)N[C@@H](C)C(=O)NCCCOC)cc1 ZINC000037980705 361970375 /nfs/dbraw/zinc/97/03/75/361970375.db2.gz LRXPFLRGKMGVRU-KBPBESRZSA-N 0 3 292.423 2.441 10 0 CEAEHN C[C@@H](NC(=O)CNC1CC1)c1ccc(Cl)cc1 ZINC000040415371 361991736 /nfs/dbraw/zinc/99/17/36/361991736.db2.gz ZYXHYYOGAUBKFO-SECBINFHSA-N 0 3 252.745 2.269 10 0 CEAEHN CC(C)N1CCN(c2ccc(N)c(OC(F)F)c2)CC1 ZINC000725265302 539213134 /nfs/dbraw/zinc/21/31/34/539213134.db2.gz YWSDIQMDZKLEGC-UHFFFAOYSA-N 0 3 285.338 2.401 10 0 CEAEHN Brc1ccc(CN[C@H]2COC[C@@H]2C2CC2)cn1 ZINC000725269657 539215070 /nfs/dbraw/zinc/21/50/70/539215070.db2.gz PEMYBKQZJTYZKH-NEPJUHHUSA-N 0 3 297.196 2.359 10 0 CEAEHN CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]1C(F)F ZINC000677737827 539265861 /nfs/dbraw/zinc/26/58/61/539265861.db2.gz QMAZZVKVQFHPQC-CABCVRRESA-N 0 3 298.377 2.209 10 0 CEAEHN COc1ccc(CN2CCC[C@@H](O)[C@@H]2C)cc1OC ZINC000294974339 199279633 /nfs/dbraw/zinc/27/96/33/199279633.db2.gz JFXGMWQKRZFHOC-WCQYABFASA-N 0 3 265.353 2.049 10 0 CEAEHN O[C@H](CNCCOc1ccccc1)COc1ccccc1 ZINC000029468624 343400049 /nfs/dbraw/zinc/40/00/49/343400049.db2.gz LRHNPARCJNWBHD-OAHLLOKOSA-N 0 3 287.359 2.095 10 0 CEAEHN O[C@@H](CNCCOc1ccccc1)COc1ccccc1 ZINC000029468621 343400060 /nfs/dbraw/zinc/40/00/60/343400060.db2.gz LRHNPARCJNWBHD-HNNXBMFYSA-N 0 3 287.359 2.095 10 0 CEAEHN CNCc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000036468823 343424084 /nfs/dbraw/zinc/42/40/84/343424084.db2.gz XBIIKDVOUWNBDK-UHFFFAOYSA-N 0 3 266.297 2.270 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000170826234 282261071 /nfs/dbraw/zinc/26/10/71/282261071.db2.gz ATLVJKVPOSKULS-CGAUPDFVSA-N 0 3 291.439 2.157 10 0 CEAEHN Cn1c(=O)cc([N-]c2c(F)cccc2F)[n+]2ccccc12 ZINC000038295515 343434081 /nfs/dbraw/zinc/43/40/81/343434081.db2.gz UWTFMSTYDWMDFD-UHFFFAOYSA-O 0 3 288.277 2.146 10 0 CEAEHN COc1cccc(CN[C@@H]2CCCC[C@H]2CO)c1F ZINC000194118262 539319911 /nfs/dbraw/zinc/31/99/11/539319911.db2.gz UAEOAUWSIYPJSP-QWHCGFSZSA-N 0 3 267.344 2.475 10 0 CEAEHN OCCC[C@H]1CCCN1C[C@H]1COc2ccccc2O1 ZINC000052762957 343565386 /nfs/dbraw/zinc/56/53/86/343565386.db2.gz RQPSJRBLJIJTLV-KGLIPLIRSA-N 0 3 277.364 2.063 10 0 CEAEHN CC(C)(N)c1cn(Cc2cccc(Cl)c2F)nn1 ZINC000228298848 539331793 /nfs/dbraw/zinc/33/17/93/539331793.db2.gz IWYWRGVPCICQPF-UHFFFAOYSA-N 0 3 268.723 2.313 10 0 CEAEHN N[C@@H](CNC(=O)OCc1ccccc1)Cc1ccccc1 ZINC000059221324 343652280 /nfs/dbraw/zinc/65/22/80/343652280.db2.gz NHWVAWJPZOHIOG-MRXNPFEDSA-N 0 3 284.359 2.483 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCN(C)C2)o1 ZINC000108542601 344265829 /nfs/dbraw/zinc/26/58/29/344265829.db2.gz YZJWVBHWHQFCMJ-OLZOCXBDSA-N 0 3 279.384 2.290 10 0 CEAEHN [O-]c1ccccc1C[NH2+]Cc1cccc(CCO)c1 ZINC000117142793 344288016 /nfs/dbraw/zinc/28/80/16/344288016.db2.gz UADFRXUYLRTDFE-UHFFFAOYSA-N 0 3 257.333 2.217 10 0 CEAEHN COc1ccc([C@@H](C)NC(=O)[C@H](N)C(C)(C)C)cc1 ZINC000123368602 344310415 /nfs/dbraw/zinc/31/04/15/344310415.db2.gz XALMZXSBLQJKBB-MFKMUULPSA-N 0 3 264.369 2.246 10 0 CEAEHN NCc1cncn1-c1cccc(Br)c1 ZINC000129946107 344348141 /nfs/dbraw/zinc/34/81/41/344348141.db2.gz LOIHTRSSFCMAAA-UHFFFAOYSA-N 0 3 252.115 2.094 10 0 CEAEHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000130852722 344355069 /nfs/dbraw/zinc/35/50/69/344355069.db2.gz OSBBTSOVHDAHGB-QPUJVOFHSA-N 0 3 288.363 2.222 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(C)cc2C)C1 ZINC000134438695 344374422 /nfs/dbraw/zinc/37/44/22/344374422.db2.gz KZARUQDRATZOQS-INIZCTEOSA-N 0 3 262.397 2.114 10 0 CEAEHN Cc1ccc(NC(=O)N[C@H]2C[C@H]2C)c(OCCN(C)C)c1 ZINC000154618810 344435212 /nfs/dbraw/zinc/43/52/12/344435212.db2.gz DYBAEOKVICCBPY-OCCSQVGLSA-N 0 3 291.395 2.465 10 0 CEAEHN NC[C@H](F)Cc1cc(F)cc(Br)c1 ZINC000158058254 344449585 /nfs/dbraw/zinc/44/95/85/344449585.db2.gz AJFLUMCBJXQDDZ-SECBINFHSA-N 0 3 250.086 2.428 10 0 CEAEHN C[C@H]1CN[C@]2(CCCN(C(=O)OC(C)(C)C)C2)S1 ZINC000159137463 344453891 /nfs/dbraw/zinc/45/38/91/344453891.db2.gz MTOSODIIGDSUHS-GXFFZTMASA-N 0 3 272.414 2.439 10 0 CEAEHN C[C@H]1CS[C@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000159143842 344453963 /nfs/dbraw/zinc/45/39/63/344453963.db2.gz XIQIMXQZEIXMSI-GWCFXTLKSA-N 0 3 272.414 2.439 10 0 CEAEHN CC(C)(C)Cc1ccc(N2CC[C@@H](O)C2)c(CN)c1 ZINC000166076794 344475312 /nfs/dbraw/zinc/47/53/12/344475312.db2.gz SJVUFKJPDRRDLO-CQSZACIVSA-N 0 3 262.397 2.305 10 0 CEAEHN CCOC(=O)C[C@H](O)CN[C@@H](C)c1ccc(CC)cc1 ZINC000233987922 344583040 /nfs/dbraw/zinc/58/30/40/344583040.db2.gz YUWYVWHNLHNHBZ-WFASDCNBSA-N 0 3 279.380 2.214 10 0 CEAEHN CC(C)(C)n1cc(CN[C@H]2CCCC[C@H]2O)cn1 ZINC000052000926 362458586 /nfs/dbraw/zinc/45/85/86/362458586.db2.gz PKYURIDWQIREAY-QWHCGFSZSA-N 0 3 251.374 2.031 10 0 CEAEHN COC(=O)c1cc(CN2CCC[C@@H]2CCCO)oc1C ZINC000052762403 362474268 /nfs/dbraw/zinc/47/42/68/362474268.db2.gz ZBQBMMYMYACQNV-GFCCVEGCSA-N 0 3 281.352 2.112 10 0 CEAEHN C[C@@H]1CN(C/C=C\CN2CCS[C@@H](C)C2)CCS1 ZINC000255779420 344646520 /nfs/dbraw/zinc/64/65/20/344646520.db2.gz VZNPWDBMPYRTAX-LQOBQMSGSA-N 0 3 286.510 2.417 10 0 CEAEHN C[C@@H](N)c1cc(I)cc2c1OCC2 ZINC000306242515 344712558 /nfs/dbraw/zinc/71/25/58/344712558.db2.gz NACZYOCZJLYNCD-ZCFIWIBFSA-N 0 3 289.116 2.246 10 0 CEAEHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)NCCS2 ZINC000401678267 344869007 /nfs/dbraw/zinc/86/90/07/344869007.db2.gz FJLGRUPBJUJJFO-GWCFXTLKSA-N 0 3 272.414 2.296 10 0 CEAEHN CC(C)[NH2+][C@@H](C)[C@H](O)c1ccc([O-])c2[nH]c(=O)ccc21 ZINC000584621438 344967397 /nfs/dbraw/zinc/96/73/97/344967397.db2.gz OKJIXKXNHUFUHR-VFZGTOFNSA-N 0 3 276.336 2.066 10 0 CEAEHN CN(CCC1(CCCCO)OCCO1)Cc1ccccc1 ZINC000584661188 344974672 /nfs/dbraw/zinc/97/46/72/344974672.db2.gz NCDOEZBIYAJRNK-UHFFFAOYSA-N 0 3 293.407 2.414 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000054073618 362508657 /nfs/dbraw/zinc/50/86/57/362508657.db2.gz KFRNZDAJVSQMLZ-VXGBXAGGSA-N 0 3 264.369 2.259 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000054073620 362509116 /nfs/dbraw/zinc/50/91/16/362509116.db2.gz KFRNZDAJVSQMLZ-NWDGAFQWSA-N 0 3 264.369 2.259 10 0 CEAEHN Cc1ccc(S(=O)(=O)Cc2cccc(CN)c2)cc1 ZINC000084267874 178835019 /nfs/dbraw/zinc/83/50/19/178835019.db2.gz WCPKBWUUTUQFJQ-UHFFFAOYSA-N 0 3 275.373 2.428 10 0 CEAEHN CCCN[C@@H](CCc1c(C)nn(C)c1C)c1nccn1C ZINC000097191173 185558918 /nfs/dbraw/zinc/55/89/18/185558918.db2.gz IJKCELOQLOQJPN-HNNXBMFYSA-N 0 3 289.427 2.444 10 0 CEAEHN Cc1cc(Sc2ccccc2)nc(N2CCNCC2)n1 ZINC000058825904 362640554 /nfs/dbraw/zinc/64/05/54/362640554.db2.gz YVQAIOZSXILVPK-UHFFFAOYSA-N 0 3 286.404 2.346 10 0 CEAEHN CCN[C@@H](Cc1c(Cl)c(C)nn1C)c1cc(C)nn1C ZINC000097273716 185575723 /nfs/dbraw/zinc/57/57/23/185575723.db2.gz CCSQIBHXGCYSIS-NSHDSACASA-N 0 3 295.818 2.317 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccccc2OC)C1 ZINC000149296327 539489457 /nfs/dbraw/zinc/48/94/57/539489457.db2.gz BDJJHWHYZUXXEF-ZIAGYGMSSA-N 0 3 278.396 2.067 10 0 CEAEHN Cc1csc(C[C@@H](NN)C(C)(C)N2CCCCC2)n1 ZINC000097581763 185630126 /nfs/dbraw/zinc/63/01/26/185630126.db2.gz MUUWMGBFBXKVFI-GFCCVEGCSA-N 0 3 282.457 2.090 10 0 CEAEHN CC[C@](C)([C@@H](Cc1ccoc1)NN)N1CCCCC1 ZINC000097585245 185631737 /nfs/dbraw/zinc/63/17/37/185631737.db2.gz QSGMRMQAFUDJMF-HUUCEWRRSA-N 0 3 265.401 2.309 10 0 CEAEHN CC(C)N[C@@H](CO)CSc1nc2ccccc2o1 ZINC000085292360 179007734 /nfs/dbraw/zinc/00/77/34/179007734.db2.gz QVWIGHZJAXIIAC-JTQLQIEISA-N 0 3 266.366 2.279 10 0 CEAEHN Fc1cccnc1NCCCNCc1cccnc1 ZINC000063197206 362759586 /nfs/dbraw/zinc/75/95/86/362759586.db2.gz NYXCJGOABBEJLV-UHFFFAOYSA-N 0 3 260.316 2.208 10 0 CEAEHN Nc1cccnc1N1CCN(CCc2cccs2)CC1 ZINC000111452321 136562110 /nfs/dbraw/zinc/56/21/10/136562110.db2.gz FAZBDFRZLNQWCY-UHFFFAOYSA-N 0 3 288.420 2.090 10 0 CEAEHN C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(=NN)c(Cl)c2)[C@@H]1C ZINC000086082070 179227974 /nfs/dbraw/zinc/22/79/74/179227974.db2.gz CJOHPGHSPWGAKR-SOCHQFKDSA-N 0 3 282.775 2.185 10 0 CEAEHN C[C@H]1CN[C@](C)(c2ccccc2)CN1Cc1nccn1C ZINC000086264856 179261127 /nfs/dbraw/zinc/26/11/27/179261127.db2.gz BBSYSHODQRVALB-YOEHRIQHSA-N 0 3 284.407 2.129 10 0 CEAEHN C[C@H](CNc1nc(Br)cs1)N(C)C ZINC000086279113 179262637 /nfs/dbraw/zinc/26/26/37/179262637.db2.gz MVIZEHKQXLWTJO-ZCFIWIBFSA-N 0 3 264.192 2.268 10 0 CEAEHN CN(C)[C@@H]1CCN(c2nc(Br)cs2)C1 ZINC000086291150 179265237 /nfs/dbraw/zinc/26/52/37/179265237.db2.gz SFRHQPRNROKQGB-SSDOTTSWSA-N 0 3 276.203 2.046 10 0 CEAEHN C[C@@H]1[C@@H](N)c2cccc(Cl)c2S(=O)(=O)[C@H]1C ZINC000086308939 179268800 /nfs/dbraw/zinc/26/88/00/179268800.db2.gz JBUKTKAAUDHQIP-MHYGZLNHSA-N 0 3 259.758 2.152 10 0 CEAEHN CN[C@H]1CCCc2sc(N3CCSCC3)nc21 ZINC000086442379 179294174 /nfs/dbraw/zinc/29/41/74/179294174.db2.gz KSJMPISIMAOAOL-VIFPVBQESA-N 0 3 269.439 2.293 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc2c[nH]nc2c1 ZINC000086446238 179294664 /nfs/dbraw/zinc/29/46/64/179294664.db2.gz HWQYHDKLKAWDJJ-UONOGXRCSA-N 0 3 286.379 2.166 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccccc1OC ZINC000086446001 179294790 /nfs/dbraw/zinc/29/47/90/179294790.db2.gz JICOXGSIAVCEQB-QWHCGFSZSA-N 0 3 276.380 2.298 10 0 CEAEHN CCN1CCC(N(C)c2nc3c(s2)CCC[C@H]3O)CC1 ZINC000086444627 179295045 /nfs/dbraw/zinc/29/50/45/179295045.db2.gz QBABZWQZLMDRAV-GFCCVEGCSA-N 0 3 295.452 2.433 10 0 CEAEHN COCC1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1 ZINC000086444256 179295113 /nfs/dbraw/zinc/29/51/13/179295113.db2.gz RGGPNELXWNMIAY-NSHDSACASA-N 0 3 281.425 2.342 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc(OC)cc2[O-])[C@@H](CC)C[NH2+]1 ZINC000086446957 179295886 /nfs/dbraw/zinc/29/58/86/179295886.db2.gz LUOINPCLEVDBMH-RYUDHWBXSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(C)o2)[C@H](CC)CN1 ZINC000086447333 179295774 /nfs/dbraw/zinc/29/57/74/179295774.db2.gz FKQAWYRHBJYMEK-VXGBXAGGSA-N 0 3 250.342 2.191 10 0 CEAEHN C[C@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)[C@@H](C)CN1 ZINC000086467585 179298084 /nfs/dbraw/zinc/29/80/84/179298084.db2.gz RZXBCPNMOZIPMF-UWVGGRQHSA-N 0 3 281.787 2.299 10 0 CEAEHN CN(CC(N)=S)Cc1cc(F)cc(Br)c1 ZINC000086694750 179320880 /nfs/dbraw/zinc/32/08/80/179320880.db2.gz YJVRVUQNLPJKCU-UHFFFAOYSA-N 0 3 291.189 2.306 10 0 CEAEHN CN[C@]1(c2nc(C)c(C)s2)CCCN(C)CC1 ZINC000086833639 179349728 /nfs/dbraw/zinc/34/97/28/179349728.db2.gz HUEYVQJNXFCODA-CYBMUJFWSA-N 0 3 253.415 2.290 10 0 CEAEHN COc1ccc([C@@]2(O)CCCN(C)CC2)cc1OC ZINC000086834005 179349632 /nfs/dbraw/zinc/34/96/32/179349632.db2.gz ZAGOUBJCEPSYKW-OAHLLOKOSA-N 0 3 265.353 2.007 10 0 CEAEHN CCOC(=O)[C@]1(N[C@@H](C)CC)CCCN(CC)CC1 ZINC000086850538 179357744 /nfs/dbraw/zinc/35/77/44/179357744.db2.gz YSBOUCOXYFQKBL-ZFWWWQNUSA-N 0 3 270.417 2.182 10 0 CEAEHN CCOC(=O)[C@]1(NC2CCCCC2)CCCN(C)CC1 ZINC000086833407 179350514 /nfs/dbraw/zinc/35/05/14/179350514.db2.gz QQGKZEBRWGFQQF-INIZCTEOSA-N 0 3 282.428 2.326 10 0 CEAEHN CC(C)N1CCC[C@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851773 179359302 /nfs/dbraw/zinc/35/93/02/179359302.db2.gz FCIKISYOBYYGQY-OAHLLOKOSA-N 0 3 280.416 2.415 10 0 CEAEHN CCN[C@@H](CCCS(=O)(=O)CC)c1ccoc1 ZINC000086979758 179373018 /nfs/dbraw/zinc/37/30/18/179373018.db2.gz HPFJTSJYCSJTKR-LBPRGKRZSA-N 0 3 259.371 2.145 10 0 CEAEHN CN[C@@H]1CC(C)(C)Cc2nc(CCCOC)ncc21 ZINC000086971274 179370475 /nfs/dbraw/zinc/37/04/75/179370475.db2.gz WPPLHTRCICZWGK-GFCCVEGCSA-N 0 3 263.385 2.289 10 0 CEAEHN CCC(O)(CC)CN[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000087014744 179380158 /nfs/dbraw/zinc/38/01/58/179380158.db2.gz LTCUEDHAOMUVMP-LLVKDONJSA-N 0 3 292.379 2.219 10 0 CEAEHN CC[C@@]1(C)CNC[C@@H](c2ccc3c(c2)OCCO3)O1 ZINC000087006689 179378536 /nfs/dbraw/zinc/37/85/36/179378536.db2.gz SGUVUAKIJCEZJJ-GJZGRUSLSA-N 0 3 263.337 2.287 10 0 CEAEHN CC1CCC(O)(CNCC(=O)Nc2ccc(F)cc2)CC1 ZINC000087061807 179389290 /nfs/dbraw/zinc/38/92/90/179389290.db2.gz ADYMATUANLVZGV-UHFFFAOYSA-N 0 3 294.370 2.295 10 0 CEAEHN N[C@@H]1COC[C@@H]1c1nc2cc(Br)ccc2o1 ZINC000087049591 179388575 /nfs/dbraw/zinc/38/85/75/179388575.db2.gz CIVFDRYTFXGTON-JGVFFNPUSA-N 0 3 283.125 2.031 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2ccc3c(c2)OCCCO3)O1 ZINC000087090224 179394480 /nfs/dbraw/zinc/39/44/80/179394480.db2.gz ASSNDCNXAOXTCG-DOMZBBRYSA-N 0 3 263.337 2.287 10 0 CEAEHN Cc1cccc(NC(=O)CNC[C@]2(O)CCC[C@@H](C)C2)c1 ZINC000087065330 179390024 /nfs/dbraw/zinc/39/00/24/179390024.db2.gz UIWDMFCSQPULGZ-PBHICJAKSA-N 0 3 290.407 2.464 10 0 CEAEHN Cc1ccc(NC(=O)CNC[C@]2(O)CCC[C@@H](C)C2)cc1 ZINC000087064544 179390418 /nfs/dbraw/zinc/39/04/18/179390418.db2.gz MAAUJNGLBNLGNU-PBHICJAKSA-N 0 3 290.407 2.464 10 0 CEAEHN C[C@H](NCC1(O)CCCCCC1)C(=O)N1CCCCCC1 ZINC000087089384 179393658 /nfs/dbraw/zinc/39/36/58/179393658.db2.gz ULIUGJCDCPCEDU-HNNXBMFYSA-N 0 3 296.455 2.452 10 0 CEAEHN CC[C@@H](C)SCc1ncc(CNCCOC)cn1 ZINC000087140043 179397494 /nfs/dbraw/zinc/39/74/94/179397494.db2.gz ZLIFZQHSRULZPO-LLVKDONJSA-N 0 3 269.414 2.244 10 0 CEAEHN C[NH2+]Cc1cc(=O)[n-]c(CSC2CCCCC2)n1 ZINC000087151904 179397870 /nfs/dbraw/zinc/39/78/70/179397870.db2.gz PQHSJRHAYPVFNQ-UHFFFAOYSA-N 0 3 267.398 2.055 10 0 CEAEHN COC(CN)(OC)c1ccc(Cl)c(Cl)c1 ZINC000087224741 179402862 /nfs/dbraw/zinc/40/28/62/179402862.db2.gz DFPYLRXQAWZQDS-UHFFFAOYSA-N 0 3 250.125 2.398 10 0 CEAEHN CC(C)[NH2+]Cc1cc(=O)[n-]c(CSC(C)(C)C)n1 ZINC000087120845 179396042 /nfs/dbraw/zinc/39/60/42/179396042.db2.gz MYQWMERTJHXJOA-UHFFFAOYSA-N 0 3 269.414 2.300 10 0 CEAEHN Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000248580110 539637962 /nfs/dbraw/zinc/63/79/62/539637962.db2.gz IGQPLFKQSPYWJZ-OFQRWUPVSA-N 0 3 290.407 2.157 10 0 CEAEHN CCCNCc1c(C)nc(C2CCOCC2)nc1C ZINC000087812374 179490408 /nfs/dbraw/zinc/49/04/08/179490408.db2.gz LYJJOGWEMZYWSK-UHFFFAOYSA-N 0 3 263.385 2.487 10 0 CEAEHN CC(=O)Nc1ccc([C@@H]2CN(C(C)(C)C)CCN2)cc1 ZINC000616634503 348541916 /nfs/dbraw/zinc/54/19/16/348541916.db2.gz UNTDBSDFKLOXSC-HNNXBMFYSA-N 0 3 275.396 2.390 10 0 CEAEHN CC(C)(C)N1CCCOC[C@@H]1c1ccccc1C(N)=O ZINC000616646098 348545925 /nfs/dbraw/zinc/54/59/25/348545925.db2.gz NWYZFTSAOHHDPX-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN CCN1CCCOC[C@H]1c1ccc2nnccc2c1 ZINC000616648312 348546959 /nfs/dbraw/zinc/54/69/59/348546959.db2.gz DXERDNWCTFCYCO-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN COCCCNCc1cc2c(cc1Cl)OCO2 ZINC000616575535 348524788 /nfs/dbraw/zinc/52/47/88/348524788.db2.gz AUUQEBHNSLZEIK-UHFFFAOYSA-N 0 3 257.717 2.195 10 0 CEAEHN CCN1CCO[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616595238 348528360 /nfs/dbraw/zinc/52/83/60/348528360.db2.gz VCLBFPIZFJKGDJ-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN CCN1CCCOC[C@@H]1c1cccc2nnccc21 ZINC000616599710 348529963 /nfs/dbraw/zinc/52/99/63/348529963.db2.gz NZXYPJOTHBNGLS-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN OCCN1CCCC[C@@H]1c1cccc2ccnnc21 ZINC000616614518 348534930 /nfs/dbraw/zinc/53/49/30/348534930.db2.gz TUQPYQMRCCKYMB-CQSZACIVSA-N 0 3 257.337 2.149 10 0 CEAEHN OCCc1ccccc1[C@@H]1NCCc2ccccc21 ZINC000616677234 348557321 /nfs/dbraw/zinc/55/73/21/348557321.db2.gz XJMKZCCWAZXNKV-QGZVFWFLSA-N 0 3 253.345 2.457 10 0 CEAEHN OCCN1CCc2ccccc2[C@H]1c1ccc(CO)cc1 ZINC000616679295 348558183 /nfs/dbraw/zinc/55/81/83/348558183.db2.gz RDTHWNPPTAMTAN-GOSISDBHSA-N 0 3 283.371 2.119 10 0 CEAEHN O=C(C[C@H]1C=CCC1)N1CCNCC12CCCCC2 ZINC000088396065 179591411 /nfs/dbraw/zinc/59/14/11/179591411.db2.gz YSRXITXLAHSPAO-AWEZNQCLSA-N 0 3 262.397 2.477 10 0 CEAEHN CCNCc1ccc(C)c(S(=O)(=O)N2CC[C@H](C)C2)c1 ZINC000088986643 179690382 /nfs/dbraw/zinc/69/03/82/179690382.db2.gz KAHYESBRDCOXGF-LBPRGKRZSA-N 0 3 296.436 2.135 10 0 CEAEHN CCCN[C@H](Cc1c(Cl)c(C)nn1C)c1ccncn1 ZINC000089251757 179760503 /nfs/dbraw/zinc/76/05/03/179760503.db2.gz URFUCWMPCADAKY-GFCCVEGCSA-N 0 3 293.802 2.455 10 0 CEAEHN CC(C)(C)n1cc(CNC[C@@H]2CCC[C@@H]2CO)cn1 ZINC000089494251 179802839 /nfs/dbraw/zinc/80/28/39/179802839.db2.gz WBKQZJLHWUWBMB-UONOGXRCSA-N 0 3 265.401 2.136 10 0 CEAEHN CC1(C)Cc2nc([C@@H]3CCCOC3)ncc2[C@H](N)C1 ZINC000104315691 185964779 /nfs/dbraw/zinc/96/47/79/185964779.db2.gz GRJMBFNOUKILMM-ZYHUDNBSSA-N 0 3 261.369 2.343 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(Cl)c(OC)c2)C1 ZINC000623408186 350011077 /nfs/dbraw/zinc/01/10/77/350011077.db2.gz MJSONWRIWCHEQY-CYBMUJFWSA-N 0 3 298.814 2.159 10 0 CEAEHN C[C@@]1(c2nc(-c3ccc(F)c(Cl)c3)no2)COC[C@@H]1N ZINC000090573818 180008029 /nfs/dbraw/zinc/00/80/29/180008029.db2.gz ZDJISRPMUJKEGM-GXFFZTMASA-N 0 3 297.717 2.144 10 0 CEAEHN CC(C)(C)c1ccc(NC(=O)[C@]2(C)COC[C@H]2N)cc1 ZINC000090580335 180008605 /nfs/dbraw/zinc/00/86/05/180008605.db2.gz KYLHPDZVCJSDRX-CZUORRHYSA-N 0 3 276.380 2.286 10 0 CEAEHN CC[C@H](NC(=O)[C@@]1(C)COC[C@@H]1N)c1ccc(Cl)cc1 ZINC000090586539 180009620 /nfs/dbraw/zinc/00/96/20/180009620.db2.gz DXAATAIZTYNILH-YDHLFZDLSA-N 0 3 296.798 2.271 10 0 CEAEHN C[C@@H](OC[C@H](N)c1ccc2c(c1)OCO2)C(F)(F)F ZINC000090672241 180020850 /nfs/dbraw/zinc/02/08/50/180020850.db2.gz XQMRDBFBKIRLEX-APPZFPTMSA-N 0 3 277.242 2.383 10 0 CEAEHN CN[C@@H](c1cnccc1C)[C@@H]1COc2ccccc2O1 ZINC000090710178 180027791 /nfs/dbraw/zinc/02/77/91/180027791.db2.gz WLJRONVJZXMGOW-HOTGVXAUSA-N 0 3 270.332 2.491 10 0 CEAEHN CCOc1ncnc(NC[C@H]2CCCCN2C)c1C ZINC000090791181 180042526 /nfs/dbraw/zinc/04/25/26/180042526.db2.gz DUNQBJKVRXVZKK-GFCCVEGCSA-N 0 3 264.373 2.080 10 0 CEAEHN CC(C)NCc1ccn(C[C@@H]2Cc3ccccc3O2)n1 ZINC000090877798 180051984 /nfs/dbraw/zinc/05/19/84/180051984.db2.gz DKOWEGYAIDLUKJ-HNNXBMFYSA-N 0 3 271.364 2.385 10 0 CEAEHN Cc1c(CNC2CC2)cnn1C[C@@H]1Cc2ccccc2O1 ZINC000090877748 180052012 /nfs/dbraw/zinc/05/20/12/180052012.db2.gz POXRQBJDOVSPGE-INIZCTEOSA-N 0 3 283.375 2.447 10 0 CEAEHN CC(C)(C)NCc1cn(C[C@@H]2Cc3ccccc3O2)nn1 ZINC000090878896 180052179 /nfs/dbraw/zinc/05/21/79/180052179.db2.gz CKSUWPGJYFMVIN-AWEZNQCLSA-N 0 3 286.379 2.170 10 0 CEAEHN COc1ccc(CNC[C@H]2Cc3cc(F)ccc3O2)cn1 ZINC000090892748 180054750 /nfs/dbraw/zinc/05/47/50/180054750.db2.gz IWKLIHQPBMKGNE-CQSZACIVSA-N 0 3 288.322 2.323 10 0 CEAEHN CCNCc1cnn(C[C@H]2Cc3cc(F)ccc3O2)c1C ZINC000090895592 180055999 /nfs/dbraw/zinc/05/59/99/180055999.db2.gz RZOJYANDSJPNOI-OAHLLOKOSA-N 0 3 289.354 2.444 10 0 CEAEHN OCC1CCN(C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900920 180059317 /nfs/dbraw/zinc/05/93/17/180059317.db2.gz XYCMDHSPSREQKJ-AWEZNQCLSA-N 0 3 281.783 2.348 10 0 CEAEHN CCc1ccccc1[C@H](CN)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905683 180059733 /nfs/dbraw/zinc/05/97/33/180059733.db2.gz ZLESSXWOBQYLTD-LZWOXQAQSA-N 0 3 260.381 2.112 10 0 CEAEHN COc1ccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000090905889 180061227 /nfs/dbraw/zinc/06/12/27/180061227.db2.gz QTWVDJQRGQLTBQ-MBNYWOFBSA-N 0 3 296.798 2.212 10 0 CEAEHN CC(C)(C)NCc1csc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090908322 180061645 /nfs/dbraw/zinc/06/16/45/180061645.db2.gz JVNFKCQMTRXSLF-TXEJJXNPSA-N 0 3 281.425 2.399 10 0 CEAEHN CO[C@H]1CCC[C@H]1NCc1sccc1NC(C)=O ZINC000090960555 180075336 /nfs/dbraw/zinc/07/53/36/180075336.db2.gz JFBJIKBBTBHOHF-PWSUYJOCSA-N 0 3 268.382 2.364 10 0 CEAEHN Nc1ccccc1CNC[C@@H]1COc2ccccc2O1 ZINC000090961264 180075922 /nfs/dbraw/zinc/07/59/22/180075922.db2.gz KNIZPMAQNOFAMW-CYBMUJFWSA-N 0 3 270.332 2.198 10 0 CEAEHN CC(=O)Nc1ccsc1CNC1(CO)CCCCC1 ZINC000090960612 180076203 /nfs/dbraw/zinc/07/62/03/180076203.db2.gz OOKOVOSQSWERLU-UHFFFAOYSA-N 0 3 282.409 2.491 10 0 CEAEHN CC(C)CNCc1ncnn1C[C@@H]1Cc2ccccc21 ZINC000090981610 180078754 /nfs/dbraw/zinc/07/87/54/180078754.db2.gz BMQPAMVRRPBEDU-AWEZNQCLSA-N 0 3 270.380 2.364 10 0 CEAEHN CCc1nn(CC)c(Cn2cccc2CN)c1Cl ZINC000090995147 180082920 /nfs/dbraw/zinc/08/29/20/180082920.db2.gz HVVZVIHUNQBDQP-UHFFFAOYSA-N 0 3 266.776 2.427 10 0 CEAEHN CNCc1cccn1CC(=O)Nc1ccc(C)cc1 ZINC000090995801 180082954 /nfs/dbraw/zinc/08/29/54/180082954.db2.gz UYHJTBHJHHYJEK-UHFFFAOYSA-N 0 3 257.337 2.155 10 0 CEAEHN CCCn1ccc(CN[C@@H](C)C(=O)N(CC)CC)c1 ZINC000091011821 180086071 /nfs/dbraw/zinc/08/60/71/180086071.db2.gz FEGPTYJWZSLAMR-ZDUSSCGKSA-N 0 3 265.401 2.245 10 0 CEAEHN CCCn1c(C[C@@H]2CSCCN2)nc2cccnc21 ZINC000091128710 180100609 /nfs/dbraw/zinc/10/06/09/180100609.db2.gz LHJPLWBWFQZIBJ-LLVKDONJSA-N 0 3 276.409 2.089 10 0 CEAEHN CCN(CC[C@H]1CNCCO1)c1cccc(F)c1 ZINC000091314025 180132613 /nfs/dbraw/zinc/13/26/13/180132613.db2.gz XIMUXFNNJYQVBJ-AWEZNQCLSA-N 0 3 252.333 2.031 10 0 CEAEHN CCCCn1ncc(CNCCOC)c1C(F)(F)F ZINC000091337703 180136164 /nfs/dbraw/zinc/13/61/64/180136164.db2.gz BPQOMJPIJVDQOG-UHFFFAOYSA-N 0 3 279.306 2.438 10 0 CEAEHN Cc1n[nH]c(C)c1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091359574 180140585 /nfs/dbraw/zinc/14/05/85/180140585.db2.gz DQUVZCIIKIYOGE-AVGNSLFASA-N 0 3 276.384 2.276 10 0 CEAEHN Cc1ccccc1N(C)C(=O)C[C@H]1CSCCN1 ZINC000091290795 180122183 /nfs/dbraw/zinc/12/21/83/180122183.db2.gz OMLATVAGNQRNKP-LBPRGKRZSA-N 0 3 264.394 2.053 10 0 CEAEHN Cc1ccc(N(C)C(=O)C[C@H]2CSCCN2)c(C)c1 ZINC000091290787 180122338 /nfs/dbraw/zinc/12/23/38/180122338.db2.gz CRYAQYOKJVJLKM-ZDUSSCGKSA-N 0 3 278.421 2.361 10 0 CEAEHN C[C@@H](NC(=O)C[C@H]1CSCCN1)c1ccsc1 ZINC000091291157 180122936 /nfs/dbraw/zinc/12/29/36/180122936.db2.gz RPWCYJIXAKRKAF-KOLCDFICSA-N 0 3 270.423 2.020 10 0 CEAEHN CC(C)n1c(C[C@@H]2CNCCO2)nc2ccccc21 ZINC000091293175 180123989 /nfs/dbraw/zinc/12/39/89/180123989.db2.gz UURLRTQJSKBMBY-GFCCVEGCSA-N 0 3 259.353 2.148 10 0 CEAEHN CC(C)n1c(C[C@@H]2CNCCO2)nc2cc(F)ccc21 ZINC000091293217 180124082 /nfs/dbraw/zinc/12/40/82/180124082.db2.gz MPKMGWGEUJHQSA-GFCCVEGCSA-N 0 3 277.343 2.287 10 0 CEAEHN O=C(C[C@H]1CNCCO1)Nc1cccc(Cl)c1Cl ZINC000091299253 180125831 /nfs/dbraw/zinc/12/58/31/180125831.db2.gz OVUAOPVDCCUTRF-QMMMGPOBSA-N 0 3 289.162 2.310 10 0 CEAEHN NCc1cncc(O[C@H]2CCCc3ccccc32)n1 ZINC000091433633 180154128 /nfs/dbraw/zinc/15/41/28/180154128.db2.gz MYXUNAHZHKKJTG-AWEZNQCLSA-N 0 3 255.321 2.392 10 0 CEAEHN CNCc1cncc(Oc2cncc(Br)c2)n1 ZINC000091435428 180154675 /nfs/dbraw/zinc/15/46/75/180154675.db2.gz PSEPMFKYZAZDHW-UHFFFAOYSA-N 0 3 295.140 2.146 10 0 CEAEHN C[C@H](C(=O)c1ccccc1)N1CCC[C@H](N(C)C)C1 ZINC000091394783 180145992 /nfs/dbraw/zinc/14/59/92/180145992.db2.gz OLCYPQUEQBJHGH-HIFRSBDPSA-N 0 3 260.381 2.284 10 0 CEAEHN c1ncc(CN[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000091409749 180148025 /nfs/dbraw/zinc/14/80/25/180148025.db2.gz FAKOHETXJSUOQD-AWEZNQCLSA-N 0 3 257.337 2.039 10 0 CEAEHN CNCc1cncc(N2c3ccccc3C[C@@H]2C)n1 ZINC000091418630 180149996 /nfs/dbraw/zinc/14/99/96/180149996.db2.gz TYYKSWCAAWRXHV-NSHDSACASA-N 0 3 254.337 2.279 10 0 CEAEHN CCCNCc1cncc(N2Cc3ccccc3C2)n1 ZINC000091418191 180150186 /nfs/dbraw/zinc/15/01/86/180150186.db2.gz BDFBWRHFZPAEHX-UHFFFAOYSA-N 0 3 268.364 2.496 10 0 CEAEHN CC(C)NCc1cncc(-n2ccc(C(F)(F)F)n2)n1 ZINC000091422462 180151375 /nfs/dbraw/zinc/15/13/75/180151375.db2.gz FIZNFLRJXYBWOO-UHFFFAOYSA-N 0 3 285.273 2.179 10 0 CEAEHN CC(C)(C)NCc1cncc(-n2ccc(C3CC3)n2)n1 ZINC000091422510 180151445 /nfs/dbraw/zinc/15/14/45/180151445.db2.gz HRJQTGMONSYZIA-UHFFFAOYSA-N 0 3 271.368 2.428 10 0 CEAEHN CC(C)([C@@H](N)c1cncc2ccccc21)N1CCOCC1 ZINC000091566414 180193894 /nfs/dbraw/zinc/19/38/94/180193894.db2.gz ATSPAABRHUZKHZ-INIZCTEOSA-N 0 3 285.391 2.345 10 0 CEAEHN Cc1ccc(F)cc1[C@@H](N)C(C)(C)N1CCOCC1 ZINC000091566342 180193943 /nfs/dbraw/zinc/19/39/43/180193943.db2.gz ONFZJNIWUHPVHO-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN Cc1ccc([C@H](N)C(C)(C)N2CCOCC2)cc1C ZINC000091566307 180194090 /nfs/dbraw/zinc/19/40/90/180194090.db2.gz PEPXOAQWCIMSSU-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN CC(C)([C@@H](N)c1cccc2cnccc21)N1CCOCC1 ZINC000091566324 180194161 /nfs/dbraw/zinc/19/41/61/180194161.db2.gz ZNUPKBPNRQYCPR-INIZCTEOSA-N 0 3 285.391 2.345 10 0 CEAEHN CCN1CCC[C@H](Nc2c(N)c(C(C)C)nn2C)C1 ZINC000091581920 180199240 /nfs/dbraw/zinc/19/92/40/180199240.db2.gz KZXIOLGQHHTVAV-NSHDSACASA-N 0 3 265.405 2.022 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccccc1OC)N1CCOCC1 ZINC000091611634 180206419 /nfs/dbraw/zinc/20/64/19/180206419.db2.gz GUYZWWOGEOVYER-HZPDHXFCSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCN[C@@H](c1cncnc1)[C@@](C)(CC)N1CCOCC1 ZINC000091613089 180207030 /nfs/dbraw/zinc/20/70/30/180207030.db2.gz KKROAHNKOUHJAU-JKSUJKDBSA-N 0 3 292.427 2.018 10 0 CEAEHN CCCN[C@H](c1cncnc1)[C@](C)(CC)N1CCOCC1 ZINC000091613092 180207677 /nfs/dbraw/zinc/20/76/77/180207677.db2.gz KKROAHNKOUHJAU-CVEARBPZSA-N 0 3 292.427 2.018 10 0 CEAEHN CCCn1ccnc1[C@@H](N)C(C)(C)N1CCCC1 ZINC000091534137 180181355 /nfs/dbraw/zinc/18/13/55/180181355.db2.gz MKEJGTXOMSLGAX-GFCCVEGCSA-N 0 3 250.390 2.167 10 0 CEAEHN CCCn1nccc1[C@H](NC)C(C)(C)N1CCCC1 ZINC000091534518 180181577 /nfs/dbraw/zinc/18/15/77/180181577.db2.gz SUFZJQZUDDBKFZ-AWEZNQCLSA-N 0 3 264.417 2.428 10 0 CEAEHN CC[C@@H](C)C[C@@H](O)C1(N2CCOCC2)CCCC1 ZINC000091642611 180214061 /nfs/dbraw/zinc/21/40/61/180214061.db2.gz VHDYYFCEBUUFMH-ZIAGYGMSSA-N 0 3 255.402 2.429 10 0 CEAEHN CN[C@H](c1nccn1C)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652663 180216873 /nfs/dbraw/zinc/21/68/73/180216873.db2.gz PDFCVNRBAKGMRU-UMVBOHGHSA-N 0 3 264.417 2.191 10 0 CEAEHN Cc1cnc(Cl)nc1OC[C@@H]1CCCCN1C ZINC000091657924 180219046 /nfs/dbraw/zinc/21/90/46/180219046.db2.gz AXTSYRVZSZZAMV-JTQLQIEISA-N 0 3 255.749 2.302 10 0 CEAEHN Cn1ccnc1CCN[C@H]1CCCc2cccnc21 ZINC000091661269 180219352 /nfs/dbraw/zinc/21/93/52/180219352.db2.gz ZBNVYSSDIOOSHK-ZDUSSCGKSA-N 0 3 256.353 2.025 10 0 CEAEHN CCN[C@H]1CCCc2sc([C@H]3CN(C)CCO3)nc21 ZINC000091722553 180239782 /nfs/dbraw/zinc/23/97/82/180239782.db2.gz WQDKGVWAOGCJIM-WDEREUQCSA-N 0 3 281.425 2.133 10 0 CEAEHN C[C@@H](c1ccccn1)N(C)C[C@H](O)COC(C)(C)C ZINC000091701971 180230238 /nfs/dbraw/zinc/23/02/38/180230238.db2.gz UOYBYHHGZXEOEX-STQMWFEESA-N 0 3 266.385 2.250 10 0 CEAEHN CCCN[C@@H](c1csc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091719462 180234581 /nfs/dbraw/zinc/23/45/81/180234581.db2.gz QWBKGDCYEUXRGQ-KBPBESRZSA-N 0 3 268.426 2.428 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccc(F)cc1Cl ZINC000624235736 350239515 /nfs/dbraw/zinc/23/95/15/350239515.db2.gz ONCWQCBIQHJDAC-HJIKLVIJSA-N 0 3 273.735 2.280 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@@H](CC)NC[C@@H]2CC)o1 ZINC000091762862 180248681 /nfs/dbraw/zinc/24/86/81/180248681.db2.gz LJUKKTBYCPZLJK-NEPJUHHUSA-N 0 3 264.369 2.445 10 0 CEAEHN C[C@H](c1ccc(C(=O)[O-])o1)N(C)CC1CC[NH+](C)CC1 ZINC000091782521 180255024 /nfs/dbraw/zinc/25/50/24/180255024.db2.gz SBUAJOFHEZUXBQ-LLVKDONJSA-N 0 3 280.368 2.312 10 0 CEAEHN CCN[C@H](c1ccc(F)c(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721831 180240156 /nfs/dbraw/zinc/24/01/56/180240156.db2.gz PMVKATOJQIWMPO-DAXOMENPSA-N 0 3 296.361 2.479 10 0 CEAEHN CCN[C@H](c1cccc(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721817 180240717 /nfs/dbraw/zinc/24/07/17/180240717.db2.gz PSMAXVSIPCBOCD-OWCLPIDISA-N 0 3 278.371 2.340 10 0 CEAEHN CCN[C@@H]1CCCc2nc([C@@H]3CN(C)CCO3)sc21 ZINC000091722466 180240784 /nfs/dbraw/zinc/24/07/84/180240784.db2.gz SXOIIJBXNRBQRX-PWSUYJOCSA-N 0 3 281.425 2.133 10 0 CEAEHN C[C@H](N)c1cccn1CC(=O)NC1CCCCCC1 ZINC000091800101 180259342 /nfs/dbraw/zinc/25/93/42/180259342.db2.gz SHJYIZZHTLAQQW-LBPRGKRZSA-N 0 3 263.385 2.347 10 0 CEAEHN CCN(C(=O)c1ccccc1[O-])C1CCC([NH3+])CC1 ZINC000091850180 180272238 /nfs/dbraw/zinc/27/22/38/180272238.db2.gz CSXAEIDXLGPPCZ-UHFFFAOYSA-N 0 3 262.353 2.124 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc3ccc(F)cc3s2)C1 ZINC000091939640 180289102 /nfs/dbraw/zinc/28/91/02/180289102.db2.gz GMYGYEIFAXETHE-WCBMZHEXSA-N 0 3 252.314 2.485 10 0 CEAEHN CC(C)N1C(=O)C[C@H](NC(C)(C)CC(C)(C)C)C1=O ZINC000105647779 186066895 /nfs/dbraw/zinc/06/68/95/186066895.db2.gz DAOLATZKIYMLFW-NSHDSACASA-N 0 3 268.401 2.327 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccccc2C)C1 ZINC000092052403 180312802 /nfs/dbraw/zinc/31/28/02/180312802.db2.gz VCMFMMAULWZTKL-LSDHHAIUSA-N 0 3 262.397 2.366 10 0 CEAEHN C[C@H](N)c1cc(Cl)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054406 180313981 /nfs/dbraw/zinc/31/39/81/180313981.db2.gz IUROUQMIUBUNEH-CMPLNLGQSA-N 0 3 284.787 2.069 10 0 CEAEHN CN1CCO[C@@H](COc2ccc3ccccc3c2CN)C1 ZINC000092054304 180314410 /nfs/dbraw/zinc/31/44/10/180314410.db2.gz BKRYLVVBFZXANP-CQSZACIVSA-N 0 3 286.375 2.008 10 0 CEAEHN COC(=O)CCOc1ccc(C)nc1CNCC(C)C ZINC000091996295 180301783 /nfs/dbraw/zinc/30/17/83/180301783.db2.gz QWDNMDUNUOTKPQ-UHFFFAOYSA-N 0 3 280.368 2.078 10 0 CEAEHN CCCNCc1nc(C)ccc1OCCC(=O)NC(C)C ZINC000091995216 180301839 /nfs/dbraw/zinc/30/18/39/180301839.db2.gz MFLIDASNQCKWLN-UHFFFAOYSA-N 0 3 293.411 2.183 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1ccc(C)nc1CNC(C)(C)C ZINC000091996059 180302032 /nfs/dbraw/zinc/30/20/32/180302032.db2.gz GTMVWLIOADBIQP-LBPRGKRZSA-N 0 3 293.411 2.182 10 0 CEAEHN CCCNCc1csc(N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000092005045 180305769 /nfs/dbraw/zinc/30/57/69/180305769.db2.gz ZDAIDTRIIZWPNL-KGLIPLIRSA-N 0 3 294.468 2.316 10 0 CEAEHN CCNCc1cnn(-c2cc(F)c(F)c(F)c2)c1 ZINC000092150288 180334097 /nfs/dbraw/zinc/33/40/97/180334097.db2.gz LXUKKGOJXCUJOQ-UHFFFAOYSA-N 0 3 255.243 2.399 10 0 CEAEHN Cc1nn(C)c(N2C[C@@H](C)[C@H](C)C2)c1CNC(C)C ZINC000092086461 180320220 /nfs/dbraw/zinc/32/02/20/180320220.db2.gz RKZGDPSRNLTYFJ-VXGBXAGGSA-N 0 3 264.417 2.319 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1F ZINC000105872175 186080316 /nfs/dbraw/zinc/08/03/16/186080316.db2.gz GWHWXQLXIVKCIG-GHMZBOCLSA-N 0 3 260.316 2.083 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1F ZINC000105872172 186080521 /nfs/dbraw/zinc/08/05/21/186080521.db2.gz GWHWXQLXIVKCIG-WDEREUQCSA-N 0 3 260.316 2.083 10 0 CEAEHN CC(C)(N)c1cn(C[C@@H]2CSc3ccccc32)nn1 ZINC000092292860 180357843 /nfs/dbraw/zinc/35/78/43/180357843.db2.gz HKENOBRKBXOOMY-SNVBAGLBSA-N 0 3 274.393 2.361 10 0 CEAEHN CCCN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874543 186082025 /nfs/dbraw/zinc/08/20/25/186082025.db2.gz WJPNTDRUEBAYOI-CYBMUJFWSA-N 0 3 268.426 2.463 10 0 CEAEHN Cc1cnn(CCNCc2ccc(F)c(F)c2)c1 ZINC000105881316 186082603 /nfs/dbraw/zinc/08/26/03/186082603.db2.gz ZFWVYEOVFKUDEX-UHFFFAOYSA-N 0 3 251.280 2.260 10 0 CEAEHN Fc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105883026 186082845 /nfs/dbraw/zinc/08/28/45/186082845.db2.gz JEKYORSCXIYJJN-CQSZACIVSA-N 0 3 274.343 2.329 10 0 CEAEHN CCNCc1cn(C[C@H]2COc3ccccc32)nc1C ZINC000092306687 180359979 /nfs/dbraw/zinc/35/99/79/180359979.db2.gz XVXTXRZHPDCMBO-AWEZNQCLSA-N 0 3 271.364 2.477 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)NC[C@H]1CCCCN1C ZINC000092327796 180362986 /nfs/dbraw/zinc/36/29/86/180362986.db2.gz UXWZEEMVKVOHMT-ZWNOBZJWSA-N 0 3 251.374 2.426 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(F)c2)CCN1CCOC ZINC000106115629 186103276 /nfs/dbraw/zinc/10/32/76/186103276.db2.gz MIFJYCGDZVZSLT-INIZCTEOSA-N 0 3 280.387 2.368 10 0 CEAEHN COc1ccc2c(c1)[C@@H](O)[C@@H](N1CCC(OC)CC1)CC2 ZINC000092387770 180374533 /nfs/dbraw/zinc/37/45/33/180374533.db2.gz FXJFKLDZRXRNNN-DLBZAZTESA-N 0 3 291.391 2.154 10 0 CEAEHN CCC[S@@](=O)[C@H]1CCc2ccc(OC)cc2[C@@H]1NC ZINC000092388863 180375325 /nfs/dbraw/zinc/37/53/25/180375325.db2.gz JBZQSHFCMCMMCX-DOXZYTNZSA-N 0 3 281.421 2.429 10 0 CEAEHN COc1ccc(OC)c([C@@H]2CN[C@H](C(C)C)CO2)c1 ZINC000092403445 180378444 /nfs/dbraw/zinc/37/84/44/180378444.db2.gz QQFYWKXTWNOKOP-ZFWWWQNUSA-N 0 3 265.353 2.389 10 0 CEAEHN CC[C@H]1CN(Cc2cc(Cl)ccn2)CCN1C ZINC000092416776 180380885 /nfs/dbraw/zinc/38/08/85/180380885.db2.gz QQWQNWXAUXHXHY-ZDUSSCGKSA-N 0 3 253.777 2.261 10 0 CEAEHN CCNc1ccnc(CN2CCC[C@@H]2C(=O)OCC)c1 ZINC000092418327 180381563 /nfs/dbraw/zinc/38/15/63/180381563.db2.gz RSVWMPUDGPDOIN-CQSZACIVSA-N 0 3 277.368 2.041 10 0 CEAEHN CNCc1nc(C)ccc1OCc1cccc(C)n1 ZINC000092427743 180382928 /nfs/dbraw/zinc/38/29/28/180382928.db2.gz JEMHFTNJGILTSH-UHFFFAOYSA-N 0 3 257.337 2.392 10 0 CEAEHN CNCc1cc2c(cc1OCc1cccc(C)n1)OCO2 ZINC000092427536 180383851 /nfs/dbraw/zinc/38/38/51/180383851.db2.gz SRKTZTHMDHBORI-UHFFFAOYSA-N 0 3 286.331 2.417 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](N1CCOC(C)(C)C1)CC2 ZINC000092385603 180374014 /nfs/dbraw/zinc/37/40/14/180374014.db2.gz QMVNIVMBBJAHJU-HOTGVXAUSA-N 0 3 290.407 2.121 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@@H]1OC[C@@H]1CCOC1 ZINC000092386738 180374099 /nfs/dbraw/zinc/37/40/99/180374099.db2.gz PWORUANIJYOTCF-OAUYIBNBSA-N 0 3 291.391 2.324 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](OCCOC(C)C)CC2 ZINC000092386484 180374107 /nfs/dbraw/zinc/37/41/07/180374107.db2.gz DAQSLHUCQYFEGE-HOTGVXAUSA-N 0 3 279.380 2.451 10 0 CEAEHN OC1(CN2CCO[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000109122240 186244665 /nfs/dbraw/zinc/24/46/65/186244665.db2.gz QTZXDJLMIQIQPF-UONOGXRCSA-N 0 3 253.386 2.325 10 0 CEAEHN CNC(=O)[C@H](C)NCc1c[nH]c2cc(Cl)ccc12 ZINC000108648256 186225280 /nfs/dbraw/zinc/22/52/80/186225280.db2.gz AELPNRXWIMWCDL-QMMMGPOBSA-N 0 3 265.744 2.045 10 0 CEAEHN CCOC(=O)C[C@H](C)NCc1ccc(OC)cc1OC ZINC000109554101 186263126 /nfs/dbraw/zinc/26/31/26/186263126.db2.gz MDXBLXAQRLGGBR-NSHDSACASA-N 0 3 281.352 2.135 10 0 CEAEHN Cc1nnc(Sc2cccc(Cl)c2CN)n1C ZINC000109686456 186268661 /nfs/dbraw/zinc/26/86/61/186268661.db2.gz GUFZUYSSPCFWNV-UHFFFAOYSA-N 0 3 268.773 2.387 10 0 CEAEHN C[C@H]1CCCC[C@H]1NC(=S)N1CCC[C@@H]1CN(C)C ZINC000109670922 186268777 /nfs/dbraw/zinc/26/87/77/186268777.db2.gz XKULJINOMANIGW-BFHYXJOUSA-N 0 3 283.485 2.466 10 0 CEAEHN COc1ccc(NC(=S)N2CCC[C@H]2CN(C)C)cc1 ZINC000109670931 186269204 /nfs/dbraw/zinc/26/92/04/186269204.db2.gz ZRIAWPGJYOUIFY-ZDUSSCGKSA-N 0 3 293.436 2.418 10 0 CEAEHN Nc1cccc(F)c1CN1CCC[C@@H]1CCCO ZINC000109427815 186251249 /nfs/dbraw/zinc/25/12/49/186251249.db2.gz AIDDMUKMWMMORN-LLVKDONJSA-N 0 3 252.333 2.145 10 0 CEAEHN CCC[C@@H](C)CN1CCN(C(C)(C)C(N)=S)CC1 ZINC000109470817 186254966 /nfs/dbraw/zinc/25/49/66/186254966.db2.gz AYMSYFVXPBHHOR-GFCCVEGCSA-N 0 3 271.474 2.105 10 0 CEAEHN CCCCCN1CCN([C@H](CCC)C(N)=S)CC1 ZINC000109470315 186255012 /nfs/dbraw/zinc/25/50/12/186255012.db2.gz FGZMTOLHVHQILE-CYBMUJFWSA-N 0 3 271.474 2.249 10 0 CEAEHN O=c1ccccn1CCNCc1ccc(Cl)cc1 ZINC000110056533 186284073 /nfs/dbraw/zinc/28/40/73/186284073.db2.gz PVUHGXRSFLPCQQ-UHFFFAOYSA-N 0 3 262.740 2.292 10 0 CEAEHN COCCN(Cc1ccc(C(=O)OC)cc1)C(C)C ZINC000110450977 186296992 /nfs/dbraw/zinc/29/69/92/186296992.db2.gz NVRKWOLIHNPUGK-UHFFFAOYSA-N 0 3 265.353 2.330 10 0 CEAEHN CCc1nc(-c2ccc(O)c(OC)c2)nc(NN)c1C ZINC000110477678 186299639 /nfs/dbraw/zinc/29/96/39/186299639.db2.gz RNPIHZJVZACFGI-UHFFFAOYSA-N 0 3 274.324 2.014 10 0 CEAEHN CCOc1ccc([C@@H](CO[C@H]2CCOC2)NC)cc1 ZINC000110526683 186300656 /nfs/dbraw/zinc/30/06/56/186300656.db2.gz HATPPLABERNPRM-LSDHHAIUSA-N 0 3 265.353 2.151 10 0 CEAEHN CCOc1ccc([C@H](CO[C@@H]2CCOC2)NC)cc1 ZINC000110526679 186300872 /nfs/dbraw/zinc/30/08/72/186300872.db2.gz HATPPLABERNPRM-CABCVRRESA-N 0 3 265.353 2.151 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCCC2)c(Cl)c1OC ZINC000110827306 186327750 /nfs/dbraw/zinc/32/77/50/186327750.db2.gz ZTWVGZMQYFKIFY-LLVKDONJSA-N 0 3 284.787 2.453 10 0 CEAEHN CNCc1c(Oc2ccccc2CO)nc2sccn21 ZINC000110994319 186341552 /nfs/dbraw/zinc/34/15/52/186341552.db2.gz NBLCJEKTDXTKLZ-UHFFFAOYSA-N 0 3 289.360 2.400 10 0 CEAEHN COc1ccc(C)cc1[C@@H](N)CN1CCN(C)C(C)(C)C1 ZINC000110716392 186316458 /nfs/dbraw/zinc/31/64/58/186316458.db2.gz GFIHNCOTJBSSSM-HNNXBMFYSA-N 0 3 291.439 2.029 10 0 CEAEHN CN1CCN(Cc2ccc3c(c2)CCN3)CC1(C)C ZINC000110763143 186323019 /nfs/dbraw/zinc/32/30/19/186323019.db2.gz GAQQNMIPHUPCKY-UHFFFAOYSA-N 0 3 259.397 2.181 10 0 CEAEHN CCOc1cc(N[C@@H]2CCN(C3CC3)C2)ccc1N ZINC000111054293 186348702 /nfs/dbraw/zinc/34/87/02/186348702.db2.gz LKMDRBFFBILCRW-GFCCVEGCSA-N 0 3 261.369 2.316 10 0 CEAEHN CN[C@@H](C)c1ccc(SCCS(C)(=O)=O)c(F)c1 ZINC000111005124 186342256 /nfs/dbraw/zinc/34/22/56/186342256.db2.gz GSHCVRSQRVPWKM-VIFPVBQESA-N 0 3 291.413 2.243 10 0 CEAEHN CN(CCN1CCCC1)C(=O)c1c(N)cccc1Cl ZINC000111012867 186343296 /nfs/dbraw/zinc/34/32/96/186343296.db2.gz HMGORHUORGALLP-UHFFFAOYSA-N 0 3 281.787 2.090 10 0 CEAEHN Cc1cnccc1NC(=O)[C@@H](CN)Cc1ccccc1 ZINC000111043499 186347557 /nfs/dbraw/zinc/34/75/57/186347557.db2.gz BPCVWRZZNHHNMC-CQSZACIVSA-N 0 3 269.348 2.146 10 0 CEAEHN CN(Cc1cc(F)ccc1N)C[C@@H]1CCCOC1 ZINC000111154895 186360585 /nfs/dbraw/zinc/36/05/85/186360585.db2.gz MTBKTWBEUZKHRE-NSHDSACASA-N 0 3 252.333 2.266 10 0 CEAEHN CCCOCCOc1ccc(CNCC(C)C)nn1 ZINC000111110994 186354107 /nfs/dbraw/zinc/35/41/07/186354107.db2.gz QDAARIMDRNWILQ-UHFFFAOYSA-N 0 3 267.373 2.028 10 0 CEAEHN CCOCCN(CC)C[C@@H](N)c1ccc(OC)cc1OC ZINC000111119118 186354284 /nfs/dbraw/zinc/35/42/84/186354284.db2.gz BTOKVZASTFCIDR-OAHLLOKOSA-N 0 3 296.411 2.062 10 0 CEAEHN CCOCCN(CC)C[C@H](O)c1ccc(OCC)cc1 ZINC000111121405 186354909 /nfs/dbraw/zinc/35/49/09/186354909.db2.gz PMDMMNXBXCLXSF-INIZCTEOSA-N 0 3 281.396 2.477 10 0 CEAEHN CCNCc1cc(N(CC)CCOCC)ccn1 ZINC000111123496 186355451 /nfs/dbraw/zinc/35/54/51/186355451.db2.gz SVRWRPRCGVQHEI-UHFFFAOYSA-N 0 3 251.374 2.054 10 0 CEAEHN NCc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)nc1 ZINC000111281614 186388227 /nfs/dbraw/zinc/38/82/27/186388227.db2.gz ZNJJLWNIOFXEJL-KGLIPLIRSA-N 0 3 273.380 2.193 10 0 CEAEHN CN(C(=O)c1ccc(CN)cn1)C1CCCCCC1 ZINC000111281602 186388719 /nfs/dbraw/zinc/38/87/19/186388719.db2.gz KTCRYVCEQIKZQE-UHFFFAOYSA-N 0 3 261.369 2.335 10 0 CEAEHN CCN(CC)CCc1noc(-c2ccc(O)cc2)n1 ZINC000111687038 186441140 /nfs/dbraw/zinc/44/11/40/186441140.db2.gz IYCFMEBGCALEAX-UHFFFAOYSA-N 0 3 261.325 2.327 10 0 CEAEHN Cc1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2N)ccc1F ZINC000111367502 186406625 /nfs/dbraw/zinc/40/66/25/186406625.db2.gz ZEJRCZOQCLMGGC-HOTGVXAUSA-N 0 3 284.334 2.489 10 0 CEAEHN CCn1ccnc(Nc2ccccc2[C@@H](C)N)c1=O ZINC000111379453 186409220 /nfs/dbraw/zinc/40/92/20/186409220.db2.gz BRBVIKSKKVMKRE-SNVBAGLBSA-N 0 3 258.325 2.027 10 0 CEAEHN COC(=O)[C@@H]1CN([C@H](C)CCc2ccccc2)CCC1=O ZINC000070460831 363088504 /nfs/dbraw/zinc/08/85/04/363088504.db2.gz XHPMCCKALVVASY-UKRRQHHQSA-N 0 3 289.375 2.072 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1CCOC(C)C ZINC000122132015 187016567 /nfs/dbraw/zinc/01/65/67/187016567.db2.gz GYVOLYHOLWTYQQ-LSDHHAIUSA-N 0 3 254.418 2.360 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1 ZINC000124035098 187119413 /nfs/dbraw/zinc/11/94/13/187119413.db2.gz UAQYDQWBPLCVRR-CYBMUJFWSA-N 0 3 282.334 2.060 10 0 CEAEHN C[C@@H](CN[C@H]1CCCOc2ccccc21)N1CCOCC1 ZINC000123430156 187091541 /nfs/dbraw/zinc/09/15/41/187091541.db2.gz XLBUCKZGZPFKNA-HOCLYGCPSA-N 0 3 290.407 2.211 10 0 CEAEHN NCc1cnc(-c2cc(Br)cs2)nc1 ZINC000070599509 363100489 /nfs/dbraw/zinc/10/04/89/363100489.db2.gz JSIMDIZRRIGMOY-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@H]1CCCOC1 ZINC000252693237 539893149 /nfs/dbraw/zinc/89/31/49/539893149.db2.gz IQLRBEIFJVLVEX-OAGGEKHMSA-N 0 3 266.429 2.362 10 0 CEAEHN CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249250302 539907243 /nfs/dbraw/zinc/90/72/43/539907243.db2.gz GCQNEWHEXSQIAR-VXGBXAGGSA-N 0 3 286.297 2.043 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000236940165 370660171 /nfs/dbraw/zinc/66/01/71/370660171.db2.gz XTJIHTLNPXKCPD-MFKMUULPSA-N 0 3 250.342 2.460 10 0 CEAEHN CCN1CCO[C@H](CN[C@H]2CCc3c2cccc3F)C1 ZINC000253193915 539925847 /nfs/dbraw/zinc/92/58/47/539925847.db2.gz PHBXIVGITNREGF-WBMJQRKESA-N 0 3 278.371 2.123 10 0 CEAEHN COc1ccc(F)cc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155455077 188207105 /nfs/dbraw/zinc/20/71/05/188207105.db2.gz QOXQNPYRDJCZCD-FZMZJTMJSA-N 0 3 294.370 2.293 10 0 CEAEHN CC1(C)CCc2ccccc2[C@@H]1NCCS(C)(=O)=O ZINC000156734254 188278820 /nfs/dbraw/zinc/27/88/20/188278820.db2.gz OAMMAEZESCNTQF-AWEZNQCLSA-N 0 3 281.421 2.334 10 0 CEAEHN CCC[C@@H](C(=O)NCCOc1cccc(F)c1)N(C)C ZINC000161552811 188534283 /nfs/dbraw/zinc/53/42/83/188534283.db2.gz SZMJGJJZYWMGDM-AWEZNQCLSA-N 0 3 282.359 2.051 10 0 CEAEHN CCCN(CC(F)F)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000132404956 366141164 /nfs/dbraw/zinc/14/11/64/366141164.db2.gz QAVKUTRUCZKHHV-RYUDHWBXSA-N 0 3 291.386 2.402 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(CCSc2ccccc2)C1 ZINC000074350300 363327599 /nfs/dbraw/zinc/32/75/99/363327599.db2.gz GABYMFUEXYZWOY-CQSZACIVSA-N 0 3 278.421 2.379 10 0 CEAEHN Fc1ccc2c(c1)[C@H](N1CC[C@H](N3CCOCC3)C1)CC2 ZINC000177821361 283004859 /nfs/dbraw/zinc/00/48/59/283004859.db2.gz KIMDIGMLMCBZQQ-DOTOQJQBSA-N 0 3 290.382 2.220 10 0 CEAEHN C[C@H](NC(=O)NCCN(C)C)c1ccc(F)c(Cl)c1 ZINC000133520475 366232952 /nfs/dbraw/zinc/23/29/52/366232952.db2.gz VEFUUVRDBVCHJA-VIFPVBQESA-N 0 3 287.766 2.401 10 0 CEAEHN N[C@@H]1C[C@H](C(F)(F)F)S(=O)(=O)c2cc(Cl)ccc21 ZINC000675060140 540079884 /nfs/dbraw/zinc/07/98/84/540079884.db2.gz SIVLJHBXXYVLTJ-VXNVDRBHSA-N 0 3 299.701 2.448 10 0 CEAEHN Nc1ccc([S@](=O)(=NC2CC2)NC2CCC2)cc1 ZINC000675076708 540118153 /nfs/dbraw/zinc/11/81/53/540118153.db2.gz YMXXIZSEPMISAT-GOSISDBHSA-N 0 3 265.382 2.315 10 0 CEAEHN CC(C)c1ncc(C(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000134159948 366292936 /nfs/dbraw/zinc/29/29/36/366292936.db2.gz WTEFUFZQKCQLKV-JTQLQIEISA-N 0 3 267.398 2.043 10 0 CEAEHN COc1cccc(CNC[C@@H]2CCC[C@@H]2O)c1F ZINC000165870807 540326063 /nfs/dbraw/zinc/32/60/63/540326063.db2.gz FYVIHQCOUZLVRW-JQWIXIFHSA-N 0 3 253.317 2.085 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCC1CCC1 ZINC000079495774 363609322 /nfs/dbraw/zinc/60/93/22/363609322.db2.gz GXUSDGIZWDGNKK-CYBMUJFWSA-N 0 3 255.406 2.062 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc(C)c(OC)c1)N(C)C ZINC000138220812 366552340 /nfs/dbraw/zinc/55/23/40/366552340.db2.gz GFPTUFWREGBTFI-CQSZACIVSA-N 0 3 278.396 2.350 10 0 CEAEHN CN(C)C[C@H](NC(=O)C[C@H]1CCCCO1)c1ccccc1 ZINC000151845012 366669546 /nfs/dbraw/zinc/66/95/46/366669546.db2.gz RDYRIXCXUJJIBX-CVEARBPZSA-N 0 3 290.407 2.365 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC000176965269 189017531 /nfs/dbraw/zinc/01/75/31/189017531.db2.gz GKFJMXXTSIOEGC-LBPRGKRZSA-N 0 3 283.803 2.235 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCc1cscn1 ZINC000177041183 189023577 /nfs/dbraw/zinc/02/35/77/189023577.db2.gz PLHQJHWTMVKJRK-ZDUSSCGKSA-N 0 3 281.425 2.018 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000236968757 370667894 /nfs/dbraw/zinc/66/78/94/370667894.db2.gz BHIQOLRTVRYLCS-SECBINFHSA-N 0 3 269.414 2.184 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H](C)CS(C)(=O)=O)c(C)c1 ZINC000081900567 363745497 /nfs/dbraw/zinc/74/54/97/363745497.db2.gz MCJGAXWODABZJU-STQMWFEESA-N 0 3 269.410 2.387 10 0 CEAEHN CC(C)(C)OCCCN1CCN2CCCC[C@H]2C1 ZINC000674908897 540796473 /nfs/dbraw/zinc/79/64/73/540796473.db2.gz IJHVJHCFLDNGFQ-AWEZNQCLSA-N 0 3 254.418 2.362 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1ccc(OC)c(F)c1)N(C)C ZINC000179194267 189176340 /nfs/dbraw/zinc/17/63/40/189176340.db2.gz BBBOMDIZJJJBAS-AWEZNQCLSA-N 0 3 296.386 2.223 10 0 CEAEHN O=C(c1cc(F)cc2cccnc21)N1CCN2CCC[C@@H]2C1 ZINC000179394672 189191134 /nfs/dbraw/zinc/19/11/34/189191134.db2.gz SFOOIXJPXGCWDE-CQSZACIVSA-N 0 3 299.349 2.294 10 0 CEAEHN COc1ccc(F)cc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000179365452 189188934 /nfs/dbraw/zinc/18/89/34/189188934.db2.gz MKOPKBINNHZHLQ-GFCCVEGCSA-N 0 3 293.342 2.146 10 0 CEAEHN CC1(C)CC[C@H](N[C@@H]2CCNC2=O)c2ccccc21 ZINC000676234987 540907565 /nfs/dbraw/zinc/90/75/65/540907565.db2.gz XLELTGNMOGWFEG-UONOGXRCSA-N 0 3 258.365 2.277 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1c1ncc(F)cn1 ZINC000676563416 540934949 /nfs/dbraw/zinc/93/49/49/540934949.db2.gz DJEPNDOZJZCTPZ-OLZOCXBDSA-N 0 3 264.348 2.069 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000236983829 370671263 /nfs/dbraw/zinc/67/12/63/370671263.db2.gz AELXXJMUQGIPCL-ZJUUUORDSA-N 0 3 266.307 2.351 10 0 CEAEHN CCOc1ccc([C@@H](C)N[C@H]2CCc3ncnn3C2)cc1 ZINC000180591204 189263980 /nfs/dbraw/zinc/26/39/80/189263980.db2.gz LRJGTYRYTANOPT-OCCSQVGLSA-N 0 3 286.379 2.342 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000237036292 370681811 /nfs/dbraw/zinc/68/18/11/370681811.db2.gz PYCAZBNVOOCRKB-BBRMVZONSA-N 0 3 292.423 2.460 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)CCCc1nc2ccccc2[nH]1 ZINC000237035713 370682182 /nfs/dbraw/zinc/68/21/82/370682182.db2.gz GXSNTSIWLNYYFY-LBPRGKRZSA-N 0 3 288.395 2.081 10 0 CEAEHN Cc1cc(N[C@@H]2CCS(=O)(=O)C2)c2ccccc2n1 ZINC000019403381 361531067 /nfs/dbraw/zinc/53/10/67/361531067.db2.gz MSBQJNUOHFATMA-LLVKDONJSA-N 0 3 276.361 2.142 10 0 CEAEHN Cc1ccc(NC(=O)CN2CCN3CCC[C@@H]3C2)c(C)c1 ZINC000023249618 361596499 /nfs/dbraw/zinc/59/64/99/361596499.db2.gz PKHUCKHIKHINDG-OAHLLOKOSA-N 0 3 287.407 2.022 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccnc1Cl ZINC000092627368 364089815 /nfs/dbraw/zinc/08/98/15/364089815.db2.gz NWINNLJRARTLRU-LLVKDONJSA-N 0 3 281.787 2.291 10 0 CEAEHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000092632816 364092593 /nfs/dbraw/zinc/09/25/93/364092593.db2.gz YVMKLIQVTLDCCF-CYBMUJFWSA-N 0 3 276.380 2.257 10 0 CEAEHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000092632816 364092599 /nfs/dbraw/zinc/09/25/99/364092599.db2.gz YVMKLIQVTLDCCF-CYBMUJFWSA-N 0 3 276.380 2.257 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(Cc3cccn3C)C2)no1 ZINC000092814309 364110002 /nfs/dbraw/zinc/11/00/02/364110002.db2.gz SSKWRVXVGYWYGA-CYBMUJFWSA-N 0 3 274.368 2.171 10 0 CEAEHN COc1c(CN2C[C@H]3CCCC[C@@H]3C2)c(C)nn1C ZINC000093442033 364180960 /nfs/dbraw/zinc/18/09/60/364180960.db2.gz OZJHDMMRVQWKJC-CHWSQXEVSA-N 0 3 263.385 2.359 10 0 CEAEHN CCn1cnnc1C1CCN(Cc2ncccc2C)CC1 ZINC000093172543 364147646 /nfs/dbraw/zinc/14/76/46/364147646.db2.gz GCCOTGLKGRQLDZ-UHFFFAOYSA-N 0 3 285.395 2.381 10 0 CEAEHN C[C@@]1(C(=O)N2CCCC3(CC3)CC2)CCCCN1 ZINC000638755914 370726909 /nfs/dbraw/zinc/72/69/09/370726909.db2.gz ICDSZLYHEDREON-AWEZNQCLSA-N 0 3 250.386 2.311 10 0 CEAEHN C[C@H]1CN(c2nc3ccccc3nc2NC2CC2)CCN1 ZINC000095069522 364329577 /nfs/dbraw/zinc/32/95/77/364329577.db2.gz SJHGHSHDQGISRI-NSHDSACASA-N 0 3 283.379 2.002 10 0 CEAEHN O=[S@](C[C@@H]1CCCCN1)c1nc2ccccc2o1 ZINC000095073501 364332831 /nfs/dbraw/zinc/33/28/31/364332831.db2.gz MNYXXQCZSJXPCO-YPMLDQLKSA-N 0 3 264.350 2.078 10 0 CEAEHN CC(C)(C)OC(=O)N1CCN[C@@H]2CCCC[C@@H]2C1 ZINC000095215332 364341947 /nfs/dbraw/zinc/34/19/47/364341947.db2.gz HRQAUZRRQQJTJN-VXGBXAGGSA-N 0 3 254.374 2.386 10 0 CEAEHN Cn1cc([C@@H]2CCN(CCC(=O)Nc3ccccc3)C2)cn1 ZINC000116321459 365051076 /nfs/dbraw/zinc/05/10/76/365051076.db2.gz BATHPNDCBNISKX-CQSZACIVSA-N 0 3 298.390 2.238 10 0 CEAEHN COC(=O)CCCN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000116399422 365053965 /nfs/dbraw/zinc/05/39/65/365053965.db2.gz AMYNGAILYRPLIN-ZDUSSCGKSA-N 0 3 279.384 2.127 10 0 CEAEHN Cc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1Cl ZINC000116786796 365068420 /nfs/dbraw/zinc/06/84/20/365068420.db2.gz OREJSWVQHISMGZ-CYBMUJFWSA-N 0 3 296.798 2.051 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115782842 365025331 /nfs/dbraw/zinc/02/53/31/365025331.db2.gz GKYDGMZYBWXRAU-OLZOCXBDSA-N 0 3 255.406 2.014 10 0 CEAEHN CCCC[C@@H](CC)CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117023266 365088962 /nfs/dbraw/zinc/08/89/62/365088962.db2.gz KYLKYCCORVSHRM-HUUCEWRRSA-N 0 3 299.459 2.175 10 0 CEAEHN COC(=O)CCCN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000117337862 365103566 /nfs/dbraw/zinc/10/35/66/365103566.db2.gz VVGIDPLBEZZZAY-AWEZNQCLSA-N 0 3 291.395 2.077 10 0 CEAEHN CCc1nc(C)c(CN2CCN3CCCC[C@H]3C2)o1 ZINC000335918693 365162265 /nfs/dbraw/zinc/16/22/65/365162265.db2.gz SHFRLCMHXRBYCF-ZDUSSCGKSA-N 0 3 263.385 2.216 10 0 CEAEHN Cc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1C ZINC000118787243 365178644 /nfs/dbraw/zinc/17/86/44/365178644.db2.gz LJFOYEMYUPCMEB-HNNXBMFYSA-N 0 3 291.395 2.098 10 0 CEAEHN CCSCCN1CCCN(c2ccc(C)nn2)CC1 ZINC000119102027 365216360 /nfs/dbraw/zinc/21/63/60/365216360.db2.gz HVPHNXPNPXMWBT-UHFFFAOYSA-N 0 3 280.441 2.050 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1ccc(C)cc1OCC ZINC000119507302 365284283 /nfs/dbraw/zinc/28/42/83/365284283.db2.gz XEFULMIPLFZTSD-ZDUSSCGKSA-N 0 3 264.369 2.137 10 0 CEAEHN Cc1ccc(C(=O)CCN2CC[C@H](CCO)C2)cc1 ZINC000159130692 366880888 /nfs/dbraw/zinc/88/08/88/366880888.db2.gz BBIWUCKWLMOTQP-CQSZACIVSA-N 0 3 261.365 2.272 10 0 CEAEHN CC(C)OCCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000120987859 365506578 /nfs/dbraw/zinc/50/65/78/365506578.db2.gz KXXZCJSQAFTCIC-OAHLLOKOSA-N 0 3 278.396 2.221 10 0 CEAEHN CCc1nnc([C@@H]2C[N@H+](C[C@@H]3CC=CCC3)CCO2)[n-]1 ZINC000245505596 370828905 /nfs/dbraw/zinc/82/89/05/370828905.db2.gz MJZOELYIGNAQLI-OLZOCXBDSA-N 0 3 276.384 2.097 10 0 CEAEHN CCc1nnc([C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)CCO2)[n-]1 ZINC000245505596 370828909 /nfs/dbraw/zinc/82/89/09/370828909.db2.gz MJZOELYIGNAQLI-OLZOCXBDSA-N 0 3 276.384 2.097 10 0 CEAEHN CN1CC[C@]23CCCO[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169347130 367368910 /nfs/dbraw/zinc/36/89/10/367368910.db2.gz RFNWFZMJOKXVOP-PMPSAXMXSA-N 0 3 259.349 2.069 10 0 CEAEHN CCOc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000171068128 367470341 /nfs/dbraw/zinc/47/03/41/367470341.db2.gz LDLQGVVIBHJDCJ-CYBMUJFWSA-N 0 3 277.368 2.253 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000171074595 367471244 /nfs/dbraw/zinc/47/12/44/367471244.db2.gz ULKYPGXZCRWQQY-OAHLLOKOSA-N 0 3 299.378 2.040 10 0 CEAEHN CCn1cc(C(=O)N2CC[C@H](N(C)C)C2)c2ccccc21 ZINC000170857635 367431795 /nfs/dbraw/zinc/43/17/95/367431795.db2.gz GPNGQPZQXIUFKC-ZDUSSCGKSA-N 0 3 285.391 2.437 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000170863668 367433910 /nfs/dbraw/zinc/43/39/10/367433910.db2.gz LUJAQZMPYJSROB-CYBMUJFWSA-N 0 3 269.348 2.011 10 0 CEAEHN CC(C)c1nc(C(=O)N2CC[C@H](N(C)C)C2)cs1 ZINC000170868300 367435862 /nfs/dbraw/zinc/43/58/62/367435862.db2.gz UCVCGVJNKXQXPJ-JTQLQIEISA-N 0 3 267.398 2.043 10 0 CEAEHN C[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170867221 367435920 /nfs/dbraw/zinc/43/59/20/367435920.db2.gz BZQFPBIRGRBEHE-RYUDHWBXSA-N 0 3 296.798 2.270 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(CCCOC(C)C)C1 ZINC000171501315 367556887 /nfs/dbraw/zinc/55/68/87/367556887.db2.gz OQUGJYFGFVWMHE-CQSZACIVSA-N 0 3 270.417 2.182 10 0 CEAEHN Cc1[nH]c2ccccc2c1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171585420 367573436 /nfs/dbraw/zinc/57/34/36/367573436.db2.gz OJABUPQKHIGFKC-CYBMUJFWSA-N 0 3 283.375 2.397 10 0 CEAEHN COCc1cccc(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000171888730 367634693 /nfs/dbraw/zinc/63/46/93/367634693.db2.gz QLXTXIVMMXIJOS-HNNXBMFYSA-N 0 3 289.379 2.145 10 0 CEAEHN CCOCCN1CCN(CCc2cccnc2)C[C@@H]1CC ZINC000172162417 367687548 /nfs/dbraw/zinc/68/75/48/367687548.db2.gz YOHJEVONYWKRJC-KRWDZBQOSA-N 0 3 291.439 2.057 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000172355063 367725475 /nfs/dbraw/zinc/72/54/75/367725475.db2.gz PSQILGDLHGZMFV-CZUORRHYSA-N 0 3 280.387 2.275 10 0 CEAEHN CCOC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000632308266 367753022 /nfs/dbraw/zinc/75/30/22/367753022.db2.gz ROQPZHNDXNRUDU-AWEZNQCLSA-N 0 3 292.423 2.438 10 0 CEAEHN CC(C)(C)CCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000172510884 367765509 /nfs/dbraw/zinc/76/55/09/367765509.db2.gz OGULKUIYABXXLD-ZDUSSCGKSA-N 0 3 267.417 2.302 10 0 CEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1C[C@H]1C ZINC000245841953 370878549 /nfs/dbraw/zinc/87/85/49/370878549.db2.gz DQDHFAXRIKHJON-NFAWXSAZSA-N 0 3 275.396 2.215 10 0 CEAEHN COCCN1CCN(Cc2sccc2C)C[C@@H]1C ZINC000245776793 370872610 /nfs/dbraw/zinc/87/26/10/370872610.db2.gz SUXCTLSAGGPMQZ-ZDUSSCGKSA-N 0 3 268.426 2.209 10 0 CEAEHN C[C@@H](OC1CCCCCC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000245972814 370896385 /nfs/dbraw/zinc/89/63/85/370896385.db2.gz AWICAEZFZPGHBJ-CABCVRRESA-N 0 3 294.439 2.421 10 0 CEAEHN Cc1cccc([C@H](C)N2CCO[C@H](CN(C)C)C2)c1 ZINC000173701249 367935302 /nfs/dbraw/zinc/93/53/02/367935302.db2.gz ZDEXUDHZQRPTTP-GOEBONIOSA-N 0 3 262.397 2.318 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000174071535 367978716 /nfs/dbraw/zinc/97/87/16/367978716.db2.gz YTTQMQGJFPSCLI-WBVHZDCISA-N 0 3 276.424 2.179 10 0 CEAEHN CCN(CC)CC(=O)N[C@H](C)COCc1ccccc1 ZINC000174588027 368045127 /nfs/dbraw/zinc/04/51/27/368045127.db2.gz DZDFHKLVYIZRRG-CQSZACIVSA-N 0 3 278.396 2.050 10 0 CEAEHN COc1cccc(/C(C)=C/C(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000175979373 368193464 /nfs/dbraw/zinc/19/34/64/368193464.db2.gz PXIOAKBTOXDFKA-NRMKIYEFSA-N 0 3 288.391 2.261 10 0 CEAEHN CC[C@@H](Oc1ccccc1C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000176455317 368240840 /nfs/dbraw/zinc/24/08/40/368240840.db2.gz RIFPTHMBGZGDEM-LSDHHAIUSA-N 0 3 290.407 2.315 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@@H]1CN(C)CCO1)CCCO2 ZINC000180497510 368385083 /nfs/dbraw/zinc/38/50/83/368385083.db2.gz AEJMUTORNYENHP-GDBMZVCRSA-N 0 3 290.407 2.129 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)[C@H]1C ZINC000246020224 370900021 /nfs/dbraw/zinc/90/00/21/370900021.db2.gz OMZLWICSKRVVHU-RQJABVFESA-N 0 3 267.417 2.157 10 0 CEAEHN CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000184680192 368711173 /nfs/dbraw/zinc/71/11/73/368711173.db2.gz RZMILKVNZZNSFE-BFHYXJOUSA-N 0 3 267.417 2.301 10 0 CEAEHN Cc1ccnc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000184097792 368670950 /nfs/dbraw/zinc/67/09/50/368670950.db2.gz ZWMBRKPWGUBNKS-STQMWFEESA-N 0 3 276.384 2.240 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H](C)OCc2ccccc2)C1 ZINC000185921007 368886986 /nfs/dbraw/zinc/88/69/86/368886986.db2.gz YFDCCJSDHZHEHU-HOCLYGCPSA-N 0 3 290.407 2.192 10 0 CEAEHN CCc1ccccc1CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000188955977 369433939 /nfs/dbraw/zinc/43/39/39/369433939.db2.gz ADWCUVHUZLVZPT-HUUCEWRRSA-N 0 3 276.424 2.136 10 0 CEAEHN C[C@H](CCc1ccccc1)N1CCO[C@@H](CN(C)C)C1 ZINC000246389907 370955331 /nfs/dbraw/zinc/95/53/31/370955331.db2.gz PGDRWCBHZZOBRZ-WBVHZDCISA-N 0 3 276.424 2.270 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC1=CCCOC1 ZINC000179200527 284163717 /nfs/dbraw/zinc/16/37/17/284163717.db2.gz ISDSIOBSPNSBGJ-KKUMJFAQSA-N 0 3 279.380 2.139 10 0 CEAEHN C[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000190971818 369665655 /nfs/dbraw/zinc/66/56/55/369665655.db2.gz XJYBFRVMLMGODK-MCIONIFRSA-N 0 3 267.417 2.301 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@@H]1c1cccn1C ZINC000195184873 370111718 /nfs/dbraw/zinc/11/17/18/370111718.db2.gz OZUSJNOMOKAGPJ-GDBMZVCRSA-N 0 3 280.412 2.340 10 0 CEAEHN CCN[C@H](C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000637925128 370174168 /nfs/dbraw/zinc/17/41/68/370174168.db2.gz RDZQDRDLGSWCDD-BXUZGUMPSA-N 0 3 296.798 2.238 10 0 CEAEHN COC[C@@]1(C(=O)N[C@H](C)c2cccs2)CCCCN1 ZINC000637884209 370146300 /nfs/dbraw/zinc/14/63/00/370146300.db2.gz BBTJPPNOVVQSIN-BXUZGUMPSA-N 0 3 282.409 2.084 10 0 CEAEHN Cn1nc(CN[C@H]2CCCC[C@H]2CO)c2ccccc21 ZINC000219005714 370216267 /nfs/dbraw/zinc/21/62/67/370216267.db2.gz FHXCRSDTEQNOHI-JSGCOSHPSA-N 0 3 273.380 2.214 10 0 CEAEHN CC(C)n1cncc1CN[C@@H]1CCCC[C@@H]1CO ZINC000231295783 370476049 /nfs/dbraw/zinc/47/60/49/370476049.db2.gz WXFIOEFXLWSHLY-TZMCWYRMSA-N 0 3 251.374 2.105 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCOCC(F)F)c1C ZINC000231689343 370491181 /nfs/dbraw/zinc/49/11/81/370491181.db2.gz PUJFUWLMSTZLMV-VIFPVBQESA-N 0 3 275.343 2.452 10 0 CEAEHN CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc([O-])ccc1Cl ZINC000234359739 370534499 /nfs/dbraw/zinc/53/44/99/370534499.db2.gz IOHOSGVDDUVJFD-JTQLQIEISA-N 0 3 282.771 2.069 10 0 CEAEHN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc([O-])ccc1Cl ZINC000234359739 370534504 /nfs/dbraw/zinc/53/45/04/370534504.db2.gz IOHOSGVDDUVJFD-JTQLQIEISA-N 0 3 282.771 2.069 10 0 CEAEHN C[C@]1(C(=O)NCC[C@H]2CC=CCC2)CCCCN1 ZINC000638600930 370630756 /nfs/dbraw/zinc/63/07/56/370630756.db2.gz LMJZBZBPMRKBFL-DZGCQCFKSA-N 0 3 250.386 2.381 10 0 CEAEHN CC[C@@H]1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000246721290 371000362 /nfs/dbraw/zinc/00/03/62/371000362.db2.gz ADMVZFKZMBEQEE-MCIONIFRSA-N 0 3 267.417 2.157 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1sc(C)nc1C ZINC000246910162 371030042 /nfs/dbraw/zinc/03/00/42/371030042.db2.gz IFRWOZRGQQGNPI-OLZOCXBDSA-N 0 3 293.436 2.459 10 0 CEAEHN C[C@H](Cc1ccccc1F)C(=O)N1CCN2CCC[C@H]2C1 ZINC000246962358 371037779 /nfs/dbraw/zinc/03/77/79/371037779.db2.gz GEVOMBPYOLYYPS-HIFRSBDPSA-N 0 3 290.382 2.311 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)Cc1noc2ccccc21 ZINC000246957312 371038118 /nfs/dbraw/zinc/03/81/18/371038118.db2.gz DHNVGNAQZMMAQT-STQMWFEESA-N 0 3 299.374 2.065 10 0 CEAEHN COCc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000247104112 371064611 /nfs/dbraw/zinc/06/46/11/371064611.db2.gz IMJQLZYJNOPJKX-BBRMVZONSA-N 0 3 288.391 2.142 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000247774207 371141315 /nfs/dbraw/zinc/14/13/15/371141315.db2.gz QDJBDZZWLLFQBJ-STQMWFEESA-N 0 3 282.815 2.227 10 0 CEAEHN CCOC(=O)[C@@H](c1ccccc1)N1CCN2CCC[C@H]2C1 ZINC000247405869 371104427 /nfs/dbraw/zinc/10/44/27/371104427.db2.gz BTUQOKMLIOGKCA-JKSUJKDBSA-N 0 3 288.391 2.071 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@H](C)c1ccccc1Br ZINC000054073182 541841148 /nfs/dbraw/zinc/84/11/48/541841148.db2.gz OTGRWQRVTDTJPC-BDAKNGLRSA-N 0 3 285.185 2.234 10 0 CEAEHN CCOC(=O)[C@H](CC(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000248435861 371195251 /nfs/dbraw/zinc/19/52/51/371195251.db2.gz RUMJIFABNKOOTC-QLFBSQMISA-N 0 3 284.444 2.283 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@H]2C1)c1cc(F)ccc1F ZINC000248369720 371181346 /nfs/dbraw/zinc/18/13/46/371181346.db2.gz WPLJFZCWOLBTJC-BBRMVZONSA-N 0 3 296.361 2.168 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248876646 371261157 /nfs/dbraw/zinc/26/11/57/371261157.db2.gz RBZGSZGXXMRWGJ-VDERGJSUSA-N 0 3 287.407 2.215 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccnc(F)c1F ZINC000248795628 371247366 /nfs/dbraw/zinc/24/73/66/371247366.db2.gz YUSKAGNRWUJDAT-MNOVXSKESA-N 0 3 295.333 2.059 10 0 CEAEHN O[C@H](CN1CC[C@H](Oc2cccnc2)C1)C1CCCCC1 ZINC000249141326 371300568 /nfs/dbraw/zinc/30/05/68/371300568.db2.gz WFMMFRGBYBOYAD-DLBZAZTESA-N 0 3 290.407 2.476 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(C[C@@H](O)CC2CCCC2)C1 ZINC000249151745 371302274 /nfs/dbraw/zinc/30/22/74/371302274.db2.gz XVIRHUJWVQATFW-HOTGVXAUSA-N 0 3 296.455 2.308 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H](C)Cc2cccs2)C1 ZINC000249749914 371359151 /nfs/dbraw/zinc/35/91/51/371359151.db2.gz BZZIVYYAZSIKPJ-CHWSQXEVSA-N 0 3 295.452 2.463 10 0 CEAEHN CN1CC[C@@H](N)[C@H]1c1ccc(Br)s1 ZINC000250598296 371388096 /nfs/dbraw/zinc/38/80/96/371388096.db2.gz JHVOODYTMGTXRV-MUWHJKNJSA-N 0 3 261.188 2.215 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)c2ccco2)C1 ZINC000250208513 371379776 /nfs/dbraw/zinc/37/97/76/371379776.db2.gz LTECOUAANQNDMH-CHWSQXEVSA-N 0 3 279.384 2.466 10 0 CEAEHN NC1(C(=O)Nc2ccc3c4c(cccc42)CC3)CCOCC1 ZINC000261859804 371753584 /nfs/dbraw/zinc/75/35/84/371753584.db2.gz NCQUOBDXBLDONO-UHFFFAOYSA-N 0 3 296.370 2.385 10 0 CEAEHN CC(C)CC1(CNC(=O)[C@@H](N)C2CCOCC2)CCCC1 ZINC000261954389 371783600 /nfs/dbraw/zinc/78/36/00/371783600.db2.gz KJDCHOWOFRPJGY-HNNXBMFYSA-N 0 3 296.455 2.463 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(Cc2cnc(N)s2)C1 ZINC000262028412 371803734 /nfs/dbraw/zinc/80/37/34/371803734.db2.gz NTVFFTGSRWEXHZ-NSHDSACASA-N 0 3 291.424 2.321 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000262701058 371899656 /nfs/dbraw/zinc/89/96/56/371899656.db2.gz ICPZUOCBFXMOQX-MJVIPROJSA-N 0 3 266.385 2.399 10 0 CEAEHN COc1c(CN[C@H]2CCCC(F)(F)C2)c(C)nn1C ZINC000344801582 217316607 /nfs/dbraw/zinc/31/66/07/217316607.db2.gz XKPNSXPPFNKKQQ-JTQLQIEISA-N 0 3 273.327 2.405 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(F)c(Cl)c2)CCCN1 ZINC000643615002 373220614 /nfs/dbraw/zinc/22/06/14/373220614.db2.gz AIHDTCHISYVQDN-CYBMUJFWSA-N 0 3 286.734 2.186 10 0 CEAEHN C[C@@H](NC(=O)[C@@H]1NCC1(C)C)c1cc(F)ccc1F ZINC000644017618 373342893 /nfs/dbraw/zinc/34/28/93/373342893.db2.gz ASLZTIIINRIPFB-PELKAZGASA-N 0 3 268.307 2.140 10 0 CEAEHN c1ccc(CN2CCCC[C@H]2CNc2cccnn2)cc1 ZINC000379667766 375157180 /nfs/dbraw/zinc/15/71/80/375157180.db2.gz BZNGLTKCINEHIG-INIZCTEOSA-N 0 3 282.391 2.365 10 0 CEAEHN COc1cc(C)c(CN2CCC[C@@H](O)[C@@H]2C)cc1OC ZINC000384927615 375220865 /nfs/dbraw/zinc/22/08/65/375220865.db2.gz RYZPSFNDPZCZBK-GXTWGEPZSA-N 0 3 279.380 2.357 10 0 CEAEHN COc1cc(C)c(CN2CCC[C@H](O)[C@H]2C)cc1OC ZINC000384927621 375222165 /nfs/dbraw/zinc/22/21/65/375222165.db2.gz RYZPSFNDPZCZBK-OCCSQVGLSA-N 0 3 279.380 2.357 10 0 CEAEHN C[C@H]1[C@H](O)CCCN1CCOc1ccccc1F ZINC000384960111 375222185 /nfs/dbraw/zinc/22/21/85/375222185.db2.gz WNRJNCSIZLZCPS-WCQYABFASA-N 0 3 253.317 2.050 10 0 CEAEHN CC[C@H](N[C@H]1CCN(CC)C1)c1ccc(F)cn1 ZINC000389240906 375300044 /nfs/dbraw/zinc/30/00/44/375300044.db2.gz KTGHOWVQPKFUBI-STQMWFEESA-N 0 3 251.349 2.356 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(Br)cc1 ZINC000282389902 375473104 /nfs/dbraw/zinc/47/31/04/375473104.db2.gz OXJHALXKMZVTLN-SKDRFNHKSA-N 0 3 297.196 2.206 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(Br)cc1 ZINC000282389893 375473407 /nfs/dbraw/zinc/47/34/07/375473407.db2.gz OXJHALXKMZVTLN-CABZTGNLSA-N 0 3 297.196 2.206 10 0 CEAEHN CC(C)Oc1cccc(CN[C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282516113 375505480 /nfs/dbraw/zinc/50/54/80/375505480.db2.gz XWTQOZUHKYPWLT-IUODEOHRSA-N 0 3 276.380 2.231 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1ccnn1C)N(C)C(=O)OC(C)(C)C ZINC000283167283 375667751 /nfs/dbraw/zinc/66/77/51/375667751.db2.gz IYTSCCUBOFAMHF-RYUDHWBXSA-N 0 3 296.415 2.326 10 0 CEAEHN Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(=O)[n-]1 ZINC000307223867 376560391 /nfs/dbraw/zinc/56/03/91/376560391.db2.gz KIEGKPJNDHMHOM-AWEZNQCLSA-N 0 3 284.363 2.177 10 0 CEAEHN Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(=O)[n-]1 ZINC000307223867 376560401 /nfs/dbraw/zinc/56/04/01/376560401.db2.gz KIEGKPJNDHMHOM-AWEZNQCLSA-N 0 3 284.363 2.177 10 0 CEAEHN Cc1cc(-n2cc(I)cn2)cc(C)n1 ZINC000307307781 376562959 /nfs/dbraw/zinc/56/29/59/376562959.db2.gz NAJBZODTXWOHQB-UHFFFAOYSA-N 0 3 299.115 2.489 10 0 CEAEHN C[C@H](N)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000306321229 376545666 /nfs/dbraw/zinc/54/56/66/376545666.db2.gz BFXSFQGDCIRSFK-YFKPBYRVSA-N 0 3 277.549 2.388 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(C(F)F)cc2)C1 ZINC000165915677 542152410 /nfs/dbraw/zinc/15/24/10/542152410.db2.gz VWJJMAHTMLGRDL-CQSZACIVSA-N 0 3 284.350 2.435 10 0 CEAEHN CCN1CC[C@H](N[C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509328 376852620 /nfs/dbraw/zinc/85/26/20/376852620.db2.gz MVOJFXNSBPIGOP-LRDDRELGSA-N 0 3 275.396 2.390 10 0 CEAEHN CCO[C@@H](CCNC(=O)N[C@H]1CCCN(CC)C1)C(C)C ZINC000174195359 249326040 /nfs/dbraw/zinc/32/60/40/249326040.db2.gz OCZOOIMNLGNPKV-GJZGRUSLSA-N 0 3 299.459 2.221 10 0 CEAEHN COc1cc(F)cc(CNC[C@@H](O)C(C)(C)C)c1 ZINC000312445836 249372496 /nfs/dbraw/zinc/37/24/96/249372496.db2.gz PVQDAJTVFVDUCU-CYBMUJFWSA-N 0 3 255.333 2.331 10 0 CEAEHN CN1CCCN(C(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000298770675 378826768 /nfs/dbraw/zinc/82/67/68/378826768.db2.gz RDNNMCYMPQJHKT-HNNXBMFYSA-N 0 3 273.380 2.021 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CCO[C@@H]1C ZINC000300625729 379177531 /nfs/dbraw/zinc/17/75/31/379177531.db2.gz MWLFFIKNGAOCLF-KLHDSHLOSA-N 0 3 266.429 2.360 10 0 CEAEHN COC[C@@H]1CN(c2ccnc3c(C)cccc23)CCO1 ZINC000301638124 379291659 /nfs/dbraw/zinc/29/16/59/379291659.db2.gz AJNUEBYEHGJLFG-ZDUSSCGKSA-N 0 3 272.348 2.395 10 0 CEAEHN CSC[C@@H](C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000131539608 295611792 /nfs/dbraw/zinc/61/17/92/295611792.db2.gz IPHQCJKCTGCSMR-PWSUYJOCSA-N 0 3 264.394 2.435 10 0 CEAEHN CC(C)(C)n1cc(CN2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000188418958 542322603 /nfs/dbraw/zinc/32/26/03/542322603.db2.gz IZFVHOIKOQJAAK-OAHLLOKOSA-N 0 3 287.411 2.499 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(c2ccccc2F)C[C@@H]1C ZINC000191620055 542343449 /nfs/dbraw/zinc/34/34/49/542343449.db2.gz KTFAZBPFXWZXQJ-XJKSGUPXSA-N 0 3 280.387 2.497 10 0 CEAEHN CC[C@H](C)N(CC)S(=O)(=O)c1csc(CNC)c1 ZINC000088950844 184615140 /nfs/dbraw/zinc/61/51/40/184615140.db2.gz VBLOJXHDLVPARK-JTQLQIEISA-N 0 3 290.454 2.277 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](Sc1nncs1)C2 ZINC000092860567 184632756 /nfs/dbraw/zinc/63/27/56/184632756.db2.gz QWKXTGAPPOZHJX-QWRGUYRKSA-N 0 3 279.390 2.264 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)N(CC1CC1)C1CC1 ZINC000080366966 177645701 /nfs/dbraw/zinc/64/57/01/177645701.db2.gz FYRJKBIWUKOXAE-UHFFFAOYSA-N 0 3 294.420 2.017 10 0 CEAEHN CC(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)cc1O ZINC000093669496 184704176 /nfs/dbraw/zinc/70/41/76/184704176.db2.gz YVELGVJLALOVPO-CQSZACIVSA-N 0 3 274.364 2.269 10 0 CEAEHN CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H](N2CCC(C)CC2)C1 ZINC000093748397 184713283 /nfs/dbraw/zinc/71/32/83/184713283.db2.gz JZAKVPDYXMMRGG-ZFWWWQNUSA-N 0 3 268.401 2.094 10 0 CEAEHN CCCN[C@@H](c1ccccc1F)[C@H]1CN(C)CCN1C ZINC000093895977 184740826 /nfs/dbraw/zinc/74/08/26/184740826.db2.gz JNMYJNBJXANCPP-CVEARBPZSA-N 0 3 279.403 2.112 10 0 CEAEHN Cc1ccc2nc(NCCN3CCCCCC3)nn2c1 ZINC000094603893 184824980 /nfs/dbraw/zinc/82/49/80/184824980.db2.gz KEXCARTWYDWOSY-UHFFFAOYSA-N 0 3 273.384 2.326 10 0 CEAEHN CCN[C@@H](c1cc(OC)cc(OC)c1)[C@H]1CSCCO1 ZINC000094651672 184835097 /nfs/dbraw/zinc/83/50/97/184835097.db2.gz BHPUPQLIPSGQIP-CABCVRRESA-N 0 3 297.420 2.486 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1cccc(F)c1F ZINC000094713627 184845656 /nfs/dbraw/zinc/84/56/56/184845656.db2.gz LUFHCBPDLLMLFG-QWHCGFSZSA-N 0 3 296.361 2.496 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)C(C)C)cc1F ZINC000094956335 184903634 /nfs/dbraw/zinc/90/36/34/184903634.db2.gz OJEMFLFGZGKTAY-MFKMUULPSA-N 0 3 252.333 2.295 10 0 CEAEHN C[C@@H](CC(=O)N1CCO[C@@H](CN(C)C)C1)C1CCCCC1 ZINC000116783519 533418882 /nfs/dbraw/zinc/41/88/82/533418882.db2.gz YQDWJLFQTLYFOI-HOCLYGCPSA-N 0 3 296.455 2.382 10 0 CEAEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1csc(Cl)c1 ZINC000191353560 130225359 /nfs/dbraw/zinc/22/53/59/130225359.db2.gz XAENHSOLVZHJMG-KOLCDFICSA-N 0 3 274.817 2.383 10 0 CEAEHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000262528008 131229615 /nfs/dbraw/zinc/22/96/15/131229615.db2.gz HICYHLRZFHYAIH-SWHYSGLUSA-N 0 3 282.359 2.001 10 0 CEAEHN CNCc1cccc(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC000070385995 134946941 /nfs/dbraw/zinc/94/69/41/134946941.db2.gz HKSUIWCMEPAVND-GHMZBOCLSA-N 0 3 251.399 2.131 10 0 CEAEHN COC[C@H](N[C@H]1CC(=O)N(C)c2ccccc21)C(C)C ZINC000086682935 135048519 /nfs/dbraw/zinc/04/85/19/135048519.db2.gz AKOIRLOXIPVKPY-KBPBESRZSA-N 0 3 276.380 2.355 10 0 CEAEHN C[C@@H]1CCCN(C(=O)N2C[C@H](N)Cc3ccccc32)C1 ZINC000091991327 135074567 /nfs/dbraw/zinc/07/45/67/135074567.db2.gz UUGNNDDHXFARII-TZMCWYRMSA-N 0 3 273.380 2.228 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2ccccn2c1 ZINC000245462192 394500133 /nfs/dbraw/zinc/50/01/33/394500133.db2.gz NRSBOSAYGVLYSD-BBRMVZONSA-N 0 3 283.375 2.248 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H](C)[C@H]2C)C1 ZINC000246729074 394520875 /nfs/dbraw/zinc/52/08/75/394520875.db2.gz ALQGFDPVYOBAIL-SYQHCUMBSA-N 0 3 267.417 2.155 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(OC)cc2)C1 ZINC000048769218 394528859 /nfs/dbraw/zinc/52/88/59/394528859.db2.gz BGIAJPGGFUDEIE-ZDUSSCGKSA-N 0 3 277.368 2.301 10 0 CEAEHN CC(=O)CCN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248613098 394543798 /nfs/dbraw/zinc/54/37/98/394543798.db2.gz QWTTZZYHKAROIC-IHRRRGAJSA-N 0 3 296.411 2.201 10 0 CEAEHN CCc1nc(C)c([C@H](C)NC[C@H](C)N2CCOCC2)s1 ZINC000123238162 394825283 /nfs/dbraw/zinc/82/52/83/394825283.db2.gz ZXFAPJNBLSCAGO-RYUDHWBXSA-N 0 3 297.468 2.385 10 0 CEAEHN CC(C)CSCCCNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000129925273 394876905 /nfs/dbraw/zinc/87/69/05/394876905.db2.gz RBHRPQAZVOWFQK-CYBMUJFWSA-N 0 3 287.473 2.111 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)o1 ZINC000282061922 394904810 /nfs/dbraw/zinc/90/48/10/394904810.db2.gz BMUHNMDEFCNIMZ-AAXDQBDMSA-N 0 3 262.353 2.160 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000155700018 395029007 /nfs/dbraw/zinc/02/90/07/395029007.db2.gz IGZDGBRAVDFLHL-ZFWWWQNUSA-N 0 3 260.381 2.454 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1C[C@H](OCC)C12CCC2)N(C)C ZINC000162282120 395072804 /nfs/dbraw/zinc/07/28/04/395072804.db2.gz JHVSNOUQLCEUJT-MCIONIFRSA-N 0 3 282.428 2.181 10 0 CEAEHN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccccc1-n1cccn1 ZINC000177244404 395149413 /nfs/dbraw/zinc/14/94/13/395149413.db2.gz ZSXXBXCDBWVJKG-GXFFZTMASA-N 0 3 299.296 2.446 10 0 CEAEHN CC[C@H](C)[C@H](CN1CCN2CCCC[C@H]2C1)OC ZINC000381331868 395173876 /nfs/dbraw/zinc/17/38/76/395173876.db2.gz ZETXYQCPPCNROJ-KKUMJFAQSA-N 0 3 254.418 2.218 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2csc(C)c2)C1 ZINC000381427674 395175532 /nfs/dbraw/zinc/17/55/32/395175532.db2.gz BYXRMHGBSBBOJN-OCCSQVGLSA-N 0 3 268.426 2.428 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H]2CCc3ncnn3C2)s1 ZINC000180596110 395204870 /nfs/dbraw/zinc/20/48/70/395204870.db2.gz FVOXRPUUHKFCMC-QWRGUYRKSA-N 0 3 262.382 2.314 10 0 CEAEHN CCC[C@H](C)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000187684432 395303759 /nfs/dbraw/zinc/30/37/59/395303759.db2.gz MVUSFVVUIFWPMF-KBPBESRZSA-N 0 3 251.374 2.081 10 0 CEAEHN Cc1c([C@H](C)N[C@H]2CCc3ncnn3C2)cnn1C(C)C ZINC000191357363 395355649 /nfs/dbraw/zinc/35/56/49/395355649.db2.gz OCKMHVLCGFJPCH-AAEUAGOBSA-N 0 3 288.399 2.030 10 0 CEAEHN CC[C@H](OC1CCCCC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000154437451 289145101 /nfs/dbraw/zinc/14/51/01/289145101.db2.gz SPIMFFYHARKPGI-ZFWWWQNUSA-N 0 3 282.428 2.277 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccnc(N)c1 ZINC000191487247 153176043 /nfs/dbraw/zinc/17/60/43/153176043.db2.gz JNHHPCHMHUWYFL-CQSZACIVSA-N 0 3 285.395 2.351 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1CCO[C@@H]1CCCCO1 ZINC000193062909 153228463 /nfs/dbraw/zinc/22/84/63/153228463.db2.gz HZAQUTQAPXFUQX-HZPDHXFCSA-N 0 3 293.411 2.199 10 0 CEAEHN O=C(c1cccc(-n2cccc2)c1)N1CCN2CCC[C@@H]2C1 ZINC000195319250 153281569 /nfs/dbraw/zinc/28/15/69/153281569.db2.gz LTPHVVFEESDWMV-QGZVFWFLSA-N 0 3 295.386 2.398 10 0 CEAEHN CC[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000195326787 153281985 /nfs/dbraw/zinc/28/19/85/153281985.db2.gz YRPUOMCYNKQNHC-CVEARBPZSA-N 0 3 272.392 2.487 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H](C)[C@@H](CO)SC)c1C ZINC000223898614 153322135 /nfs/dbraw/zinc/32/21/35/153322135.db2.gz GJUZQBFQGQXXQH-OUJBWJOFSA-N 0 3 285.457 2.283 10 0 CEAEHN CCc1cc(-c2nc([C@@H]3CNCCN3C)no2)sc1C ZINC000263213491 154035782 /nfs/dbraw/zinc/03/57/82/154035782.db2.gz KMNXESIBJDFGTO-NSHDSACASA-N 0 3 292.408 2.245 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000263491774 154102733 /nfs/dbraw/zinc/10/27/33/154102733.db2.gz ISTCJILFTLEFJD-WXLSXGNJSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000263491774 154102738 /nfs/dbraw/zinc/10/27/38/154102738.db2.gz ISTCJILFTLEFJD-WXLSXGNJSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000263491774 154102746 /nfs/dbraw/zinc/10/27/46/154102746.db2.gz ISTCJILFTLEFJD-WXLSXGNJSA-N 0 3 294.439 2.482 10 0 CEAEHN CC(C)C[C@@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531516 154116164 /nfs/dbraw/zinc/11/61/64/154116164.db2.gz WTDRAMBNSXVSPX-LRVUVFPRSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)C[C@@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531516 154116166 /nfs/dbraw/zinc/11/61/66/154116166.db2.gz WTDRAMBNSXVSPX-LRVUVFPRSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)C[C@@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263531516 154116167 /nfs/dbraw/zinc/11/61/67/154116167.db2.gz WTDRAMBNSXVSPX-LRVUVFPRSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1CC1=CCCOC1 ZINC000375850770 157151823 /nfs/dbraw/zinc/15/18/23/157151823.db2.gz SOVGTBCGNKGXBQ-HOTGVXAUSA-N 0 3 264.413 2.282 10 0 CEAEHN CCn1nc(CN2CC[C@@H](CCO)C2)c2ccccc21 ZINC000157560935 162310245 /nfs/dbraw/zinc/31/02/45/162310245.db2.gz RTOLWJQTMLGVIM-ZDUSSCGKSA-N 0 3 273.380 2.261 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1c(C)noc1Cl ZINC000177032477 165185686 /nfs/dbraw/zinc/18/56/86/165185686.db2.gz AMRPWCUYXOTYGC-LLVKDONJSA-N 0 3 299.802 2.122 10 0 CEAEHN CCc1noc([C@H](C)N(C)C[C@@H]2CCCN2CC)n1 ZINC000177710872 165207727 /nfs/dbraw/zinc/20/77/27/165207727.db2.gz WOEKWPSFNSQNGS-RYUDHWBXSA-N 0 3 266.389 2.109 10 0 CEAEHN Cn1cc([C@@H]2CCN(Cc3cccc4nccn43)C2)cn1 ZINC000180330946 165304552 /nfs/dbraw/zinc/30/45/52/165304552.db2.gz AAHDIXNFMCFVOO-CYBMUJFWSA-N 0 3 281.363 2.057 10 0 CEAEHN COc1cc([C@@H](C)N[C@@H]2CCc3ncnn3C2)ccc1F ZINC000180585363 165313087 /nfs/dbraw/zinc/31/30/87/165313087.db2.gz UULARGGWKLBEBI-ZYHUDNBSSA-N 0 3 290.342 2.091 10 0 CEAEHN COc1cc([C@@H](C)N[C@H]2CCc3ncnn3C2)ccc1F ZINC000180585405 165317173 /nfs/dbraw/zinc/31/71/73/165317173.db2.gz UULARGGWKLBEBI-PWSUYJOCSA-N 0 3 290.342 2.091 10 0 CEAEHN CO[C@H](C)CN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000182147704 165365453 /nfs/dbraw/zinc/36/54/53/165365453.db2.gz PAWUQLSOVDGCIP-ZWNOBZJWSA-N 0 3 251.374 2.209 10 0 CEAEHN CN(C)C[C@H](N[C@H]1CCSC1)c1ccccc1 ZINC000020129271 171016940 /nfs/dbraw/zinc/01/69/40/171016940.db2.gz KFJIFFBHIWODRB-KBPBESRZSA-N 0 3 250.411 2.384 10 0 CEAEHN NC[C@H](c1ccc(Cl)cc1)N1CCC(CO)CC1 ZINC000020179068 171043962 /nfs/dbraw/zinc/04/39/62/171043962.db2.gz KLJQZUKPFXTBKA-CQSZACIVSA-N 0 3 268.788 2.044 10 0 CEAEHN COc1ccc([C@@H](N)CN2CCCCC2)cc1F ZINC000020260315 171116979 /nfs/dbraw/zinc/11/69/79/171116979.db2.gz NFJMQGCLRRFYQC-ZDUSSCGKSA-N 0 3 252.333 2.320 10 0 CEAEHN CC(C)CNC(=O)[C@H](C)Oc1ccccc1[C@H](C)N ZINC000020419499 171184751 /nfs/dbraw/zinc/18/47/51/171184751.db2.gz LLSKFRVYXHQLOK-RYUDHWBXSA-N 0 3 264.369 2.246 10 0 CEAEHN CCCNCc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872408 171277229 /nfs/dbraw/zinc/27/72/29/171277229.db2.gz UDVXDYXRONOMLZ-UHFFFAOYSA-N 0 3 278.396 2.480 10 0 CEAEHN CCOc1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000021167802 171298998 /nfs/dbraw/zinc/29/89/98/171298998.db2.gz IAIAIVAPSUTRNW-AWEZNQCLSA-N 0 3 289.379 2.397 10 0 CEAEHN C[C@H](C(=O)Nc1ccccc1CN)N1CCCCCC1 ZINC000022153634 171360527 /nfs/dbraw/zinc/36/05/27/171360527.db2.gz MELDXPPRATWCFB-CYBMUJFWSA-N 0 3 275.396 2.348 10 0 CEAEHN NC[C@H](c1cccnc1)N1CCc2sccc2C1 ZINC000022210397 171372800 /nfs/dbraw/zinc/37/28/00/171372800.db2.gz HLNJZAZDPULUKQ-CYBMUJFWSA-N 0 3 259.378 2.201 10 0 CEAEHN Cc1nccn1CCCC(=O)Nc1ccccc1CN ZINC000022219505 171377088 /nfs/dbraw/zinc/37/70/88/171377088.db2.gz XLJNJAVEXKQOLK-UHFFFAOYSA-N 0 3 272.352 2.069 10 0 CEAEHN CCCN1CCN(C[C@H](N)c2cc(C)ccc2OC)CC1 ZINC000022565338 171391741 /nfs/dbraw/zinc/39/17/41/171391741.db2.gz HFGDRCLEZVHSHJ-INIZCTEOSA-N 0 3 291.439 2.031 10 0 CEAEHN CN[C@H](c1ccoc1C)c1ccc2c(c1)CC(=O)N2 ZINC000035495570 172228838 /nfs/dbraw/zinc/22/88/38/172228838.db2.gz MVNIYQPKLNCSIQ-HNNXBMFYSA-N 0 3 256.305 2.391 10 0 CEAEHN CN[C@H](c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000035500621 172234649 /nfs/dbraw/zinc/23/46/49/172234649.db2.gz USQXCUJKHXRIPX-CQSZACIVSA-N 0 3 254.289 2.430 10 0 CEAEHN N[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)C1 ZINC000035679806 172350454 /nfs/dbraw/zinc/35/04/54/172350454.db2.gz YZWXYNBPWFIHFS-SNVBAGLBSA-N 0 3 273.163 2.096 10 0 CEAEHN CCN(C)[C@H](CN)c1cc(Br)ccc1OC ZINC000037078459 172936267 /nfs/dbraw/zinc/93/62/67/172936267.db2.gz RLTNZUNZDTZQLL-LLVKDONJSA-N 0 3 287.201 2.409 10 0 CEAEHN C[C@H](CO)N[C@H]1CCOc2ccc(Br)cc21 ZINC000037258743 173069488 /nfs/dbraw/zinc/06/94/88/173069488.db2.gz NFLRNKHZPHHOET-KCJUWKMLSA-N 0 3 286.169 2.243 10 0 CEAEHN CC[C@@H](N[C@H](C)C(N)=O)c1cccc(Br)c1 ZINC000037261421 173070877 /nfs/dbraw/zinc/07/08/77/173070877.db2.gz RMFQZYFQZZTOHW-LDYMZIIASA-N 0 3 285.185 2.364 10 0 CEAEHN CCN(Cc1ccccc1)Cc1ccc(C(N)=O)cc1N ZINC000037273097 173084536 /nfs/dbraw/zinc/08/45/36/173084536.db2.gz CSQKJHDDMJGUQA-UHFFFAOYSA-N 0 3 283.375 2.390 10 0 CEAEHN CCCn1c2ccccc2nc1[C@H]1C[C@H](OC)CN1 ZINC000037323593 173124061 /nfs/dbraw/zinc/12/40/61/173124061.db2.gz PNBRCDTVTTVGHH-WCQYABFASA-N 0 3 259.353 2.496 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000037386489 173169665 /nfs/dbraw/zinc/16/96/65/173169665.db2.gz ALXLTMWEWCCOHS-SNVBAGLBSA-N 0 3 296.367 2.039 10 0 CEAEHN COC(=O)CCCNCc1cccc(Br)c1 ZINC000037395191 173175518 /nfs/dbraw/zinc/17/55/18/173175518.db2.gz WCZSEMHHMHUWNL-UHFFFAOYSA-N 0 3 286.169 2.492 10 0 CEAEHN CCN(Cc1ccc(OC)c(F)c1)C(=O)CNC(C)C ZINC000037495754 173234762 /nfs/dbraw/zinc/23/47/62/173234762.db2.gz PDHHIKLAQUCMCD-UHFFFAOYSA-N 0 3 282.359 2.181 10 0 CEAEHN CCCC[C@H](N)C(=O)Nc1ccc(C)cc1OC ZINC000037769431 173700741 /nfs/dbraw/zinc/70/07/41/173700741.db2.gz ASTATUOCHPKANW-NSHDSACASA-N 0 3 250.342 2.460 10 0 CEAEHN Cc1cc(C)c([C@@H](C)NC[C@@H]2COCCO2)c(C)n1 ZINC000038061084 174072412 /nfs/dbraw/zinc/07/24/12/174072412.db2.gz OWLARFVRFOUMKJ-TZMCWYRMSA-N 0 3 264.369 2.073 10 0 CEAEHN CC[C@H](C)N[C@H](C(N)=O)c1ccc(SC)cc1 ZINC000038064831 174075082 /nfs/dbraw/zinc/07/50/82/174075082.db2.gz LUBFCEQDPUQYNG-CABZTGNLSA-N 0 3 252.383 2.323 10 0 CEAEHN CCOCCn1c(CNC)nc2cc(Cl)ccc21 ZINC000040405268 174254270 /nfs/dbraw/zinc/25/42/70/174254270.db2.gz WFQJQZKLOSLWCE-UHFFFAOYSA-N 0 3 267.760 2.446 10 0 CEAEHN CSCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000040464461 174274222 /nfs/dbraw/zinc/27/42/22/174274222.db2.gz HKMKHWDSBLOIEF-WDEREUQCSA-N 0 3 284.450 2.492 10 0 CEAEHN CCC1CCC(N(C)C(=O)[C@@H](N)CCSC)CC1 ZINC000040469044 174277503 /nfs/dbraw/zinc/27/75/03/174277503.db2.gz JNBLOMOXQRYBND-BPCQOVAHSA-N 0 3 272.458 2.494 10 0 CEAEHN CCCCCNC(=O)[C@H](C)NCCOCCCC ZINC000040507333 174303149 /nfs/dbraw/zinc/30/31/49/174303149.db2.gz APDDISKWVJGXOK-ZDUSSCGKSA-N 0 3 258.406 2.088 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)[C@@H](N)C(C)(C)C)s1 ZINC000040519002 174308754 /nfs/dbraw/zinc/30/87/54/174308754.db2.gz SBCDHUPECFROME-LDYMZIIASA-N 0 3 269.414 2.311 10 0 CEAEHN CC(=O)NC[C@@H](c1ccco1)N1CCCCCC1 ZINC000040614363 174353413 /nfs/dbraw/zinc/35/34/13/174353413.db2.gz ZEZWMKUOUGURIK-ZDUSSCGKSA-N 0 3 250.342 2.333 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000040630214 174358022 /nfs/dbraw/zinc/35/80/22/174358022.db2.gz PCJBEQJGCICIBL-GHMZBOCLSA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3cccc(F)c3)c[nH]2)C1 ZINC000040637742 174361903 /nfs/dbraw/zinc/36/19/03/174361903.db2.gz VGJQQVWRFLABDW-RYUDHWBXSA-N 0 3 261.300 2.265 10 0 CEAEHN COc1ccc(-c2c[nH]c([C@H]3C[C@H](OC)CN3)n2)cc1F ZINC000040637804 174362000 /nfs/dbraw/zinc/36/20/00/174362000.db2.gz KNSXOPRMGXUHFE-CMPLNLGQSA-N 0 3 291.326 2.274 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3cc(C)oc3C)c[nH]2)C1 ZINC000040637753 174362147 /nfs/dbraw/zinc/36/21/47/174362147.db2.gz OSLFCXGPCYYEFM-PWSUYJOCSA-N 0 3 261.325 2.336 10 0 CEAEHN Cc1csc2nc(C)c(CNCCc3nccn3C)n12 ZINC000040639142 174363593 /nfs/dbraw/zinc/36/35/93/174363593.db2.gz AECHXRUDORHHOA-UHFFFAOYSA-N 0 3 289.408 2.078 10 0 CEAEHN CCOC(=O)N[C@H](CN)c1cccc(OC(C)C)c1 ZINC000040641008 174364391 /nfs/dbraw/zinc/36/43/91/174364391.db2.gz SLTPYCODGCXFLA-CYBMUJFWSA-N 0 3 266.341 2.220 10 0 CEAEHN CC(C)CN[C@@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666483 174366597 /nfs/dbraw/zinc/36/65/97/174366597.db2.gz ZCRKNOOMEXCVDT-CQSZACIVSA-N 0 3 264.369 2.246 10 0 CEAEHN CCOC1CCN(CCOc2cccc(N)c2)CC1 ZINC000040678360 174374316 /nfs/dbraw/zinc/37/43/16/174374316.db2.gz MESYUHCADYMGDN-UHFFFAOYSA-N 0 3 264.369 2.149 10 0 CEAEHN CCOC1CCN(Cc2ccc(C(N)=S)cc2)CC1 ZINC000040689477 174376498 /nfs/dbraw/zinc/37/64/98/174376498.db2.gz LGYBVYZCLSVGGH-UHFFFAOYSA-N 0 3 278.421 2.322 10 0 CEAEHN CCOC1CCN(c2nc3sccn3c2CNC)CC1 ZINC000040689857 174376589 /nfs/dbraw/zinc/37/65/89/174376589.db2.gz ZTEWADQUWXUDLU-UHFFFAOYSA-N 0 3 294.424 2.121 10 0 CEAEHN C[C@H]1CCN([C@@H](CN)c2ccc(Br)o2)C1 ZINC000040717559 174384962 /nfs/dbraw/zinc/38/49/62/174384962.db2.gz MCYJQRHUCXLIBI-IUCAKERBSA-N 0 3 273.174 2.384 10 0 CEAEHN CC(C)n1cc(N)cc1C(=O)NCCN1CCC(C)CC1 ZINC000040770901 174399973 /nfs/dbraw/zinc/39/99/73/174399973.db2.gz SOAHOJYGNUMYGW-UHFFFAOYSA-N 0 3 292.427 2.113 10 0 CEAEHN CCCCOC[C@@H](O)CN1CC(C)(C)OC[C@@H]1CC ZINC000403932927 414771481 /nfs/dbraw/zinc/77/14/81/414771481.db2.gz IEBIESJHUHXNEU-KBPBESRZSA-N 0 3 273.417 2.053 10 0 CEAEHN Cc1oc(C)c(C(=O)N(C)[C@H](CN)C(F)(F)F)c1C ZINC000662976264 414814540 /nfs/dbraw/zinc/81/45/40/414814540.db2.gz FEITWRSUUGPBJZ-SECBINFHSA-N 0 3 278.274 2.166 10 0 CEAEHN C[C@@H](C(=O)N(C)[C@H](CN)C(F)(F)F)c1ccccc1 ZINC000662984031 414818893 /nfs/dbraw/zinc/81/88/93/414818893.db2.gz IMNFEVBDADNDNE-MWLCHTKSSA-N 0 3 274.286 2.138 10 0 CEAEHN CCc1ccccc1C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662983981 414819603 /nfs/dbraw/zinc/81/96/03/414819603.db2.gz HHWIFARNEMNVCB-LLVKDONJSA-N 0 3 274.286 2.211 10 0 CEAEHN Cc1nc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)co1 ZINC000660464476 414834707 /nfs/dbraw/zinc/83/47/07/414834707.db2.gz LLTKINIFUFEALW-KFWWJZLASA-N 0 3 264.369 2.499 10 0 CEAEHN CC[C@@H]1C[C@@H](N[C@H](CN(C)C)c2ccccc2)CO1 ZINC000657297310 414840037 /nfs/dbraw/zinc/84/00/37/414840037.db2.gz LKKPPXFHSSYXSZ-BZUAXINKSA-N 0 3 262.397 2.446 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCOCCF)c1C ZINC000663461852 414960220 /nfs/dbraw/zinc/96/02/20/414960220.db2.gz IBATUUVDACBSBT-SNVBAGLBSA-N 0 3 257.353 2.157 10 0 CEAEHN C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1cccc(CN)c1 ZINC000042609391 174822800 /nfs/dbraw/zinc/82/28/00/174822800.db2.gz UWWBKRNNZDZVSD-IUODEOHRSA-N 0 3 296.436 2.345 10 0 CEAEHN OCC1CC(NCc2cccc(Br)c2F)C1 ZINC000657810741 415089255 /nfs/dbraw/zinc/08/92/55/415089255.db2.gz JTHXJSUEFLBUNK-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043299970 175000989 /nfs/dbraw/zinc/00/09/89/175000989.db2.gz FNYSQJWVAPTLDK-HQJQHLMTSA-N 0 3 294.203 2.428 10 0 CEAEHN CC(C)c1ccc([C@@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000043299986 175001222 /nfs/dbraw/zinc/00/12/22/175001222.db2.gz GJRJCSBBFCJVKF-ZIAGYGMSSA-N 0 3 267.394 2.245 10 0 CEAEHN CCN[C@@H](c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300913 175001389 /nfs/dbraw/zinc/00/13/89/175001389.db2.gz NCBPLSPDYIISCK-KGLIPLIRSA-N 0 3 267.394 2.080 10 0 CEAEHN CCN[C@H](c1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300782 175001409 /nfs/dbraw/zinc/00/14/09/175001409.db2.gz MMEXQZYNTJQSIT-DOMZBBRYSA-N 0 3 297.420 2.171 10 0 CEAEHN CCN[C@@H](c1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000043300781 175001758 /nfs/dbraw/zinc/00/17/58/175001758.db2.gz MMEXQZYNTJQSIT-IUODEOHRSA-N 0 3 297.420 2.171 10 0 CEAEHN Cc1cccc([C@H](CN)N(C)Cc2cnn(C)c2)c1C ZINC000043314873 175004706 /nfs/dbraw/zinc/00/47/06/175004706.db2.gz DWSAHEOQKFEDEF-INIZCTEOSA-N 0 3 272.396 2.169 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccco1)N(CCCOC)CCOC ZINC000043335995 175012042 /nfs/dbraw/zinc/01/20/42/175012042.db2.gz KTSAHNWWLKCUCD-ZFWWWQNUSA-N 0 3 284.400 2.043 10 0 CEAEHN COc1ccc(CO[C@@H](CN)c2ccncc2)cc1 ZINC000043355847 175023611 /nfs/dbraw/zinc/02/36/11/175023611.db2.gz ISGQDJNGQUAWPT-HNNXBMFYSA-N 0 3 258.321 2.307 10 0 CEAEHN CN(C)c1cccc(O[C@@H](CN)c2ccncc2)c1 ZINC000043356310 175023697 /nfs/dbraw/zinc/02/36/97/175023697.db2.gz HJKXBSLHTAAAGT-HNNXBMFYSA-N 0 3 257.337 2.226 10 0 CEAEHN CC[C@H](N)[C@H](c1ccc(C)o1)N(CC(N)=O)C1CCCC1 ZINC000043365104 175026305 /nfs/dbraw/zinc/02/63/05/175026305.db2.gz FIDMSUOCAGKDDX-XJKSGUPXSA-N 0 3 293.411 2.096 10 0 CEAEHN CC[C@@H](C)N(CCOC)c1nc(C)ccc1CN ZINC000043395998 175035513 /nfs/dbraw/zinc/03/55/13/175035513.db2.gz QMWIRHLZUSYCDI-GFCCVEGCSA-N 0 3 251.374 2.100 10 0 CEAEHN CCCN[C@H](CN1CCOCC1)c1cc(C)ccc1OC ZINC000043808708 175108914 /nfs/dbraw/zinc/10/89/14/175108914.db2.gz NOBOUWBKJOHPAF-MRXNPFEDSA-N 0 3 292.423 2.377 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811557 175110871 /nfs/dbraw/zinc/11/08/71/175110871.db2.gz HJUBLTTUBHVXSX-UICACZKSSA-N 0 3 290.407 2.207 10 0 CEAEHN CN[C@@H](CN(C)C1CC1)c1cc(OC)ccc1OC ZINC000043822648 175114614 /nfs/dbraw/zinc/11/46/14/175114614.db2.gz BFIPTRGJGDYVLW-AWEZNQCLSA-N 0 3 264.369 2.059 10 0 CEAEHN CN[C@@H](CN1CCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000043902564 175122471 /nfs/dbraw/zinc/12/24/71/175122471.db2.gz JWWREEIZCRYYHF-JSGCOSHPSA-N 0 3 276.380 2.203 10 0 CEAEHN CCn1cc([C@H](C)N[C@@H]2CCCN(CC)C2)cn1 ZINC000044500064 175185378 /nfs/dbraw/zinc/18/53/78/175185378.db2.gz RKUXVVUJFIZESQ-GXTWGEPZSA-N 0 3 250.390 2.038 10 0 CEAEHN COc1ccc(NC(=O)[C@@H](CN)Cc2ccccc2)cc1 ZINC000044793247 175254142 /nfs/dbraw/zinc/25/41/42/175254142.db2.gz NCYXCDCHBKCFLD-CQSZACIVSA-N 0 3 284.359 2.451 10 0 CEAEHN CN(C(=O)[C@@H](CN)Cc1ccccc1)c1ccccc1 ZINC000044795994 175254515 /nfs/dbraw/zinc/25/45/15/175254515.db2.gz GDFREKNVBHQUOZ-OAHLLOKOSA-N 0 3 268.360 2.467 10 0 CEAEHN C[C@@H]1CCCN(C(=O)[C@@H](CN)Cc2ccccc2)C1 ZINC000044796141 175254558 /nfs/dbraw/zinc/25/45/58/175254558.db2.gz VXSPHOWKJXWXLX-UKRRQHHQSA-N 0 3 260.381 2.063 10 0 CEAEHN CNC(=O)CCNC1c2ccccc2-c2ccccc21 ZINC000044988214 175285014 /nfs/dbraw/zinc/28/50/14/175285014.db2.gz IAMXQBUVZQXFSB-UHFFFAOYSA-N 0 3 266.344 2.482 10 0 CEAEHN Cc1nn(C)c(N2CCC[C@H]2C2CCCC2)c1CN ZINC000045085524 175303862 /nfs/dbraw/zinc/30/38/62/175303862.db2.gz QMFWOODPMKNQNM-AWEZNQCLSA-N 0 3 262.401 2.346 10 0 CEAEHN Cc1ccc(Cl)cc1NC(=O)CNC[C@@H](C)N(C)C ZINC000045107564 175307987 /nfs/dbraw/zinc/30/79/87/175307987.db2.gz FGQIYVWFIQJIPA-LLVKDONJSA-N 0 3 283.803 2.127 10 0 CEAEHN Cc1ccc(Cl)cc1NC(=O)CNC[C@H](C)N(C)C ZINC000045107565 175308070 /nfs/dbraw/zinc/30/80/70/175308070.db2.gz FGQIYVWFIQJIPA-NSHDSACASA-N 0 3 283.803 2.127 10 0 CEAEHN C[C@H](CNC1=NC[C@@H](c2ccccc2)S1)N(C)C ZINC000045108734 175308738 /nfs/dbraw/zinc/30/87/38/175308738.db2.gz DJOGOWISPFTNJH-YPMHNXCESA-N 0 3 263.410 2.370 10 0 CEAEHN C[C@H](CN1C(=S)N=NC1c1ccccc1)N(C)C ZINC000045108463 175308750 /nfs/dbraw/zinc/30/87/50/175308750.db2.gz RXPVWDTVFUZQLH-SNVBAGLBSA-N 0 3 262.382 2.184 10 0 CEAEHN Cn1ccnc1CCNC1=NC[C@@H](c2ccccc2)S1 ZINC000045136082 175313683 /nfs/dbraw/zinc/31/36/83/175313683.db2.gz GZRGNEHWLTWINH-ZDUSSCGKSA-N 0 3 286.404 2.396 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c([C@](C)(N)C2CC2)n1 ZINC000045169473 175319948 /nfs/dbraw/zinc/31/99/48/175319948.db2.gz VNPZHFDWVTYNMG-CQSZACIVSA-N 0 3 259.357 2.011 10 0 CEAEHN CCCCN(CC)C[C@](C)(NC1CC1)C(=O)OCC ZINC000045223329 175331604 /nfs/dbraw/zinc/33/16/04/175331604.db2.gz MAMMGMBPOVNSEB-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCCCCCC1)NC1CC1 ZINC000045223709 175331692 /nfs/dbraw/zinc/33/16/92/175331692.db2.gz JUOUXJWRKDSTCE-INIZCTEOSA-N 0 3 282.428 2.326 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN1CCCCCCC1)C(=O)[O-] ZINC000045223729 175331718 /nfs/dbraw/zinc/33/17/18/175331718.db2.gz XTHVPQNTSHTMMN-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CC(C)N[C@@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223729 175331720 /nfs/dbraw/zinc/33/17/20/175331720.db2.gz XTHVPQNTSHTMMN-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231871 175335672 /nfs/dbraw/zinc/33/56/72/175335672.db2.gz LKEWGKILKKBQLF-YDHLFZDLSA-N 0 3 270.417 2.481 10 0 CEAEHN CCCN[C@](C)(CN(C)[C@@H](C)CC)C(=O)OCC ZINC000045263885 175338009 /nfs/dbraw/zinc/33/80/09/175338009.db2.gz NZQSZQYKPFMEFF-GXTWGEPZSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCCCN(C)CC[C@@](C)([NH2+]CCC)C(=O)[O-] ZINC000045268193 175340828 /nfs/dbraw/zinc/34/08/28/175340828.db2.gz BMCQUXDRBKWTQE-CQSZACIVSA-N 0 3 258.406 2.341 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271954 175342829 /nfs/dbraw/zinc/34/28/29/175342829.db2.gz GOGKQVPTCHVGKJ-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271954 175342831 /nfs/dbraw/zinc/34/28/31/175342831.db2.gz GOGKQVPTCHVGKJ-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@](C)(CN(C)[C@@H](C)CC(C)C)C(=O)OC ZINC000045279958 175350112 /nfs/dbraw/zinc/35/01/12/175350112.db2.gz XEVSUMSTTNMBCU-DZGCQCFKSA-N 0 3 272.433 2.284 10 0 CEAEHN CCN[C@H](CN(CC)c1cccc2ccccc21)C(N)=O ZINC000045369612 175363830 /nfs/dbraw/zinc/36/38/30/175363830.db2.gz JUJCDRAONCBWQQ-OAHLLOKOSA-N 0 3 285.391 2.130 10 0 CEAEHN Cc1cccc(OCCN(C)C[C@H](O)COC(C)(C)C)c1 ZINC000052816206 175538868 /nfs/dbraw/zinc/53/88/68/175538868.db2.gz GENAFBLCNGCPAE-HNNXBMFYSA-N 0 3 295.423 2.482 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)NCCC1CCCC1 ZINC000070430784 175926092 /nfs/dbraw/zinc/92/60/92/175926092.db2.gz AILMNKGEWGTNFI-UHFFFAOYSA-N 0 3 296.436 2.312 10 0 CEAEHN CNCc1ccn(Cc2ccc(Br)s2)n1 ZINC000070708958 176002926 /nfs/dbraw/zinc/00/29/26/176002926.db2.gz FSLZYHASJNMHAA-UHFFFAOYSA-N 0 3 286.198 2.475 10 0 CEAEHN CN(CCOc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000070869833 176009561 /nfs/dbraw/zinc/00/95/61/176009561.db2.gz WFHJEEYAQHLTKC-AWEZNQCLSA-N 0 3 299.386 2.312 10 0 CEAEHN CSc1cccc(N2CC[C@@H](NC3CC3)C2=O)c1 ZINC000071035889 176025470 /nfs/dbraw/zinc/02/54/70/176025470.db2.gz KVWFFZKZTJQKNP-CYBMUJFWSA-N 0 3 262.378 2.266 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1CCc1ccccc1F ZINC000071038357 176027204 /nfs/dbraw/zinc/02/72/04/176027204.db2.gz MDCYXSOLSFYXSV-OAHLLOKOSA-N 0 3 276.355 2.111 10 0 CEAEHN C[C@@H](C1CCCCC1)N1CC[C@@H](NC2CC2)C1=O ZINC000071043101 176029420 /nfs/dbraw/zinc/02/94/20/176029420.db2.gz UCPVKZRFVKGTRQ-SMDDNHRTSA-N 0 3 250.386 2.308 10 0 CEAEHN FC(F)(F)COCCNC[C@@H]1OCCc2ccccc21 ZINC000071091221 176031185 /nfs/dbraw/zinc/03/11/85/176031185.db2.gz WOLTUAIDOQBFOP-ZDUSSCGKSA-N 0 3 289.297 2.469 10 0 CEAEHN FC(F)(F)COCCNC[C@H]1OCCc2ccccc21 ZINC000071091220 176031208 /nfs/dbraw/zinc/03/12/08/176031208.db2.gz WOLTUAIDOQBFOP-CYBMUJFWSA-N 0 3 289.297 2.469 10 0 CEAEHN NC[C@@H](Oc1cc(F)ccc1F)c1ccncc1 ZINC000071167341 176049609 /nfs/dbraw/zinc/04/96/09/176049609.db2.gz OQRHOVCMANCTKM-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN Cc1c(Cl)nnc(N[C@@H]2CCCN(C)C2)c1C ZINC000071171434 176052014 /nfs/dbraw/zinc/05/20/14/176052014.db2.gz YLRUGYWFMZWHEQ-SNVBAGLBSA-N 0 3 254.765 2.253 10 0 CEAEHN C[C@@H](c1ccccc1F)N(C)c1cnc(CN)cn1 ZINC000071178121 176055639 /nfs/dbraw/zinc/05/56/39/176055639.db2.gz OZIIOVDTDIWDPT-JTQLQIEISA-N 0 3 260.316 2.272 10 0 CEAEHN COc1nc(N(C)C)sc1CN[C@H]1CCC[C@@H]1C ZINC000071206399 176079971 /nfs/dbraw/zinc/07/99/71/176079971.db2.gz ILBFCSMBMFZPOG-UWVGGRQHSA-N 0 3 269.414 2.496 10 0 CEAEHN C[C@@H]1CCC[C@@H]1N[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000071207038 176080375 /nfs/dbraw/zinc/08/03/75/176080375.db2.gz LQCRLCZCYSJLSB-KWCYVHTRSA-N 0 3 272.348 2.097 10 0 CEAEHN COCCN(CCC(N)=S)c1ccnc2ccccc21 ZINC000071226507 176089880 /nfs/dbraw/zinc/08/98/80/176089880.db2.gz RQNUIQGQVOMYCD-UHFFFAOYSA-N 0 3 289.404 2.364 10 0 CEAEHN CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071239749 176094330 /nfs/dbraw/zinc/09/43/30/176094330.db2.gz DZYSXOWTNWYZTR-SNVBAGLBSA-N 0 3 288.388 2.094 10 0 CEAEHN CCCCCN(C)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071239763 176094470 /nfs/dbraw/zinc/09/44/70/176094470.db2.gz STBUUBQGINCXAB-UHFFFAOYSA-N 0 3 288.388 2.095 10 0 CEAEHN C[C@@H]1CCC[C@@](CO)(NCc2cnn3ccccc23)C1 ZINC000071373513 176139188 /nfs/dbraw/zinc/13/91/88/176139188.db2.gz RHXKPJJDJTUWNT-CZUORRHYSA-N 0 3 273.380 2.365 10 0 CEAEHN CNC(=O)[C@@H](C)Oc1ccc(C)cc1CNC(C)C ZINC000071406639 176156226 /nfs/dbraw/zinc/15/62/26/176156226.db2.gz NINNMYYCPUYLEI-GFCCVEGCSA-N 0 3 264.369 2.006 10 0 CEAEHN N[C@H](CO)c1ccc(Br)cc1Cl ZINC000072199134 176339879 /nfs/dbraw/zinc/33/98/79/176339879.db2.gz RFVRBZJGTWJDRC-MRVPVSSYSA-N 0 3 250.523 2.095 10 0 CEAEHN COc1cc2c(cc1OC)[C@@H](CN1CCCCC1)NCC2 ZINC000076533562 177034807 /nfs/dbraw/zinc/03/48/07/177034807.db2.gz VXCJSPPSJYLWMN-OAHLLOKOSA-N 0 3 290.407 2.377 10 0 CEAEHN Cc1cc(Br)cn2cc([C@H](C)N)nc12 ZINC000076792142 177097064 /nfs/dbraw/zinc/09/70/64/177097064.db2.gz BCXLTUJMVKOAPV-ZETCQYMHSA-N 0 3 254.131 2.425 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(Cl)cn1C ZINC000193267212 270283771 /nfs/dbraw/zinc/28/37/71/270283771.db2.gz HEVCAXVVFSAACX-GFCCVEGCSA-N 0 3 285.819 2.385 10 0 CEAEHN CC[C@@H]1CCCN(C(=O)N[C@H]2CCCN(CC)C2)C1 ZINC000194176364 270293686 /nfs/dbraw/zinc/29/36/86/270293686.db2.gz QRDIOXDUXNEWDP-KGLIPLIRSA-N 0 3 267.417 2.302 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCc2ccccc2OC)C1 ZINC000194625980 270301529 /nfs/dbraw/zinc/30/15/29/270301529.db2.gz NWHXIQBDJKXKPH-OAHLLOKOSA-N 0 3 290.407 2.228 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)C2CCC2)cc1F ZINC000399226587 270367954 /nfs/dbraw/zinc/36/79/54/270367954.db2.gz NFLGORKTYXZJKE-QMTHXVAHSA-N 0 3 264.344 2.439 10 0 CEAEHN C[C@H]1CC[C@H](O)CN1CCOc1ccc(F)cc1 ZINC000399334505 270369354 /nfs/dbraw/zinc/36/93/54/270369354.db2.gz ZYDVKWJJJLTZHJ-AAEUAGOBSA-N 0 3 253.317 2.050 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@H](c2ccncc2)[C@@H](N)C1 ZINC000096032666 275520288 /nfs/dbraw/zinc/52/02/88/275520288.db2.gz AGHANFLAWQUQJX-STQMWFEESA-N 0 3 277.368 2.133 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1ccc(O)cc1)N(C)C ZINC000135899081 276037202 /nfs/dbraw/zinc/03/72/02/276037202.db2.gz JWPSHVUGLACQPK-CQSZACIVSA-N 0 3 264.369 2.081 10 0 CEAEHN CCC[C@H](N[C@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180588542 276045493 /nfs/dbraw/zinc/04/54/93/276045493.db2.gz CWHNIJHCEMSWAY-JSGCOSHPSA-N 0 3 271.368 2.119 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1csnc1C ZINC000182104869 276182435 /nfs/dbraw/zinc/18/24/35/276182435.db2.gz MWOKRDMWMXNZFX-NSHDSACASA-N 0 3 267.398 2.008 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000263157609 276560294 /nfs/dbraw/zinc/56/02/94/276560294.db2.gz XXPDOVCOWODCNP-COLVAYQJSA-N 0 3 275.396 2.136 10 0 CEAEHN CN1CCO[C@H](CN[C@@H]2CCc3c2cccc3Cl)C1 ZINC000153039147 277128036 /nfs/dbraw/zinc/12/80/36/277128036.db2.gz BYFMXRXMBVOZST-IAQYHMDHSA-N 0 3 280.799 2.248 10 0 CEAEHN C[C@@H](NC(=O)[C@H]1NCCCC1(C)C)C1CCCC1 ZINC000235174881 277612139 /nfs/dbraw/zinc/61/21/39/277612139.db2.gz SWXFWKNRKYKFRT-DGCLKSJQSA-N 0 3 252.402 2.460 10 0 CEAEHN CC(=O)N1CCN(C[C@H]2CCCC2(F)F)C(C)(C)C1 ZINC000336264064 278041738 /nfs/dbraw/zinc/04/17/38/278041738.db2.gz NNWNZNBFYJQKQA-GFCCVEGCSA-N 0 3 274.355 2.365 10 0 CEAEHN CC1(C)CN(CCC2(O)CC2)CC2(CCCC2)O1 ZINC000335880849 278330945 /nfs/dbraw/zinc/33/09/45/278330945.db2.gz FNPSMOFBYYXQRI-UHFFFAOYSA-N 0 3 253.386 2.325 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C2CCC(C)(C)CC2)C1 ZINC000263517210 279059187 /nfs/dbraw/zinc/05/91/87/279059187.db2.gz PEOHTQXBKRMOCR-UHFFFAOYSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC2CCC(C)(C)CC2)C1 ZINC000263517210 279059188 /nfs/dbraw/zinc/05/91/88/279059188.db2.gz PEOHTQXBKRMOCR-UHFFFAOYSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC2CCC(C)(C)CC2)C1 ZINC000263517210 279059190 /nfs/dbraw/zinc/05/91/90/279059190.db2.gz PEOHTQXBKRMOCR-UHFFFAOYSA-N 0 3 282.428 2.482 10 0 CEAEHN CC(C)C[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000184790533 279086841 /nfs/dbraw/zinc/08/68/41/279086841.db2.gz UTWKAVUZQQZQBK-BFHYXJOUSA-N 0 3 252.402 2.364 10 0 CEAEHN CC(C)C[C@H](N)C(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000236722510 279177749 /nfs/dbraw/zinc/17/77/49/279177749.db2.gz SJMLMXLDJWADCC-RRFJBIMHSA-N 0 3 276.380 2.006 10 0 CEAEHN CCN1CCC(NC2CCCCCC2)(C(=O)OC)CC1 ZINC000037972580 279261531 /nfs/dbraw/zinc/26/15/31/279261531.db2.gz YTYPWOXVYCKVQU-UHFFFAOYSA-N 0 3 282.428 2.326 10 0 CEAEHN C[C@@H]1C(=O)NCCCN1CC1CCC(C)(C)CC1 ZINC000189075224 280142124 /nfs/dbraw/zinc/14/21/24/280142124.db2.gz SEDWLDDBFNTZGK-GFCCVEGCSA-N 0 3 252.402 2.413 10 0 CEAEHN C[C@H](CCS(C)(=O)=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000245602654 280252667 /nfs/dbraw/zinc/25/26/67/280252667.db2.gz GNLHFYFFOIPNIL-JMSVASOKSA-N 0 3 281.421 2.333 10 0 CEAEHN Cc1[nH]c2ccccc2c1C(=O)CN1CCN2CCC[C@H]2C1 ZINC000246324705 280287517 /nfs/dbraw/zinc/28/75/17/280287517.db2.gz KRJWCNFLYBQAEY-AWEZNQCLSA-N 0 3 297.402 2.439 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)CCC2CC2)C1 ZINC000246513598 280298331 /nfs/dbraw/zinc/29/83/31/280298331.db2.gz UGZCBDBDCGBGNF-TZMCWYRMSA-N 0 3 267.417 2.157 10 0 CEAEHN COCCN1CCN([C@H](C)c2cccc(OC)c2)C[C@@H]1C ZINC000247022963 280318117 /nfs/dbraw/zinc/31/81/17/280318117.db2.gz MIORRGKMWYPOKP-LSDHHAIUSA-N 0 3 292.423 2.409 10 0 CEAEHN COCCN1CCN([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC000247022949 280318163 /nfs/dbraw/zinc/31/81/63/280318163.db2.gz MIORRGKMWYPOKP-HUUCEWRRSA-N 0 3 292.423 2.409 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CN1CCO[C@@H](CN(C)C)C1 ZINC000248482427 280349781 /nfs/dbraw/zinc/34/97/81/280349781.db2.gz IWPBASLFPOHIFD-KFWWJZLASA-N 0 3 254.418 2.075 10 0 CEAEHN CCCCOC[C@H](O)CN(C)[C@H](C)c1ccncc1 ZINC000248650306 280357464 /nfs/dbraw/zinc/35/74/64/280357464.db2.gz LYYCQGMQFHAGKB-UKRRQHHQSA-N 0 3 266.385 2.252 10 0 CEAEHN C[C@@H]1CCC[C@@H](NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000249113546 280384985 /nfs/dbraw/zinc/38/49/85/280384985.db2.gz RVNMIJULBXMGLJ-KFWWJZLASA-N 0 3 279.428 2.445 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H]1CCSC1 ZINC000300271120 288299199 /nfs/dbraw/zinc/29/91/99/288299199.db2.gz PVIGQWARCYNHIN-MCIONIFRSA-N 0 3 254.443 2.298 10 0 CEAEHN Cc1ccc2oc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cc2n1 ZINC000247100942 281178856 /nfs/dbraw/zinc/17/88/56/281178856.db2.gz IKUVAEZRWFXESV-OLZOCXBDSA-N 0 3 299.374 2.445 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)CC(C)(C)CC(C)=O ZINC000249100513 288315325 /nfs/dbraw/zinc/31/53/25/288315325.db2.gz WCRBYOQRDIWDFD-GJZGRUSLSA-N 0 3 294.439 2.467 10 0 CEAEHN C[C@@H]1CO[C@@H](C)CN1CCN(C)Cc1ccc(F)cc1 ZINC000186502282 288383574 /nfs/dbraw/zinc/38/35/74/288383574.db2.gz XCURFOLVNOAAHF-KGLIPLIRSA-N 0 3 280.387 2.367 10 0 CEAEHN CN(C)C[C@H]1CN(CC(C)(C)c2ccccc2)CCO1 ZINC000183399510 289218026 /nfs/dbraw/zinc/21/80/26/289218026.db2.gz OXLIBHRDODURBO-INIZCTEOSA-N 0 3 276.424 2.227 10 0 CEAEHN CCC[C@H](NC[C@@H](C)N1CCOCC1)c1ccccn1 ZINC000158557288 289236477 /nfs/dbraw/zinc/23/64/77/289236477.db2.gz GYDDRFSCYJGEHL-CABCVRRESA-N 0 3 277.412 2.233 10 0 CEAEHN Fc1ccc(Cl)c(CN2CC[C@H]3OCCN[C@@H]3C2)c1 ZINC000404280007 289292487 /nfs/dbraw/zinc/29/24/87/289292487.db2.gz VBPWEHKDRAGOEC-ZIAGYGMSSA-N 0 3 284.762 2.042 10 0 CEAEHN C[C@H]1CN(CCC(C)(F)F)CC2(CCOCC2)O1 ZINC000334620394 300253859 /nfs/dbraw/zinc/25/38/59/300253859.db2.gz MXXYVGNDYMIPLO-NSHDSACASA-N 0 3 263.328 2.302 10 0 CEAEHN CC(C)C(CNC(=O)N1CC[C@H](N(C)C)C1)C(C)C ZINC000194369825 321809607 /nfs/dbraw/zinc/80/96/07/321809607.db2.gz MKUCBLJYZBTCMV-ZDUSSCGKSA-N 0 3 269.433 2.260 10 0 CEAEHN COc1cc(C)ccc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C ZINC000392873823 329059645 /nfs/dbraw/zinc/05/96/45/329059645.db2.gz FOUQFAASTYABNO-SGMGOOAPSA-N 0 3 276.380 2.321 10 0 CEAEHN CC(C)N(Cc1ccnc(C(=N)N)c1)CC(F)(F)F ZINC000068761698 519662305 /nfs/dbraw/zinc/66/23/05/519662305.db2.gz CENTZQUBSHFQBF-UHFFFAOYSA-N 0 3 274.290 2.138 10 0 CEAEHN CC(C)NCc1cnn([C@@H]2CCCCC[C@H]2O)c1 ZINC000054600477 519728634 /nfs/dbraw/zinc/72/86/34/519728634.db2.gz GNAHTGWYYAWMFW-ZIAGYGMSSA-N 0 3 251.374 2.247 10 0 CEAEHN CCCN1CCC(O)([C@@H](C(=O)OCC)C(C)C)CC1 ZINC000052254641 519847781 /nfs/dbraw/zinc/84/77/81/519847781.db2.gz RZVOIQLTXARENR-CYBMUJFWSA-N 0 3 271.401 2.059 10 0 CEAEHN CCCNCc1ccoc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000052380290 519959245 /nfs/dbraw/zinc/95/92/45/519959245.db2.gz OFSFYJHELDVIDD-CHWSQXEVSA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1ccc(CN(CC)[C@@H](C)COC)o1 ZINC000052504792 519995062 /nfs/dbraw/zinc/99/50/62/519995062.db2.gz RNWAOZREJWQSEP-LBPRGKRZSA-N 0 3 254.374 2.246 10 0 CEAEHN CCCN[C@@H]1CCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702880 520023400 /nfs/dbraw/zinc/02/34/00/520023400.db2.gz YKWHKASWZBPRCJ-ZIAGYGMSSA-N 0 3 267.394 2.381 10 0 CEAEHN CCNCc1oc(CN(CCOC)[C@H](C)COC)cc1C ZINC000052572470 520027241 /nfs/dbraw/zinc/02/72/41/520027241.db2.gz XOMDNMMZUXVERL-CQSZACIVSA-N 0 3 298.427 2.181 10 0 CEAEHN CCN[C@@H](Cc1cccc(OC)c1)c1nccn1C ZINC000069473612 520104698 /nfs/dbraw/zinc/10/46/98/520104698.db2.gz PSHTYZHYSMLMPS-AWEZNQCLSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@H](C)c1cnc(Cc2cccnc2)nc1C ZINC000054963019 520180639 /nfs/dbraw/zinc/18/06/39/520180639.db2.gz IMQSCROPWRBJHR-LLVKDONJSA-N 0 3 256.353 2.441 10 0 CEAEHN CCN[C@H](CCOc1cc(C(C)C)ccc1C)C(N)=O ZINC000062539043 520191470 /nfs/dbraw/zinc/19/14/70/520191470.db2.gz XHZJNXOPPOEMKW-CQSZACIVSA-N 0 3 278.396 2.351 10 0 CEAEHN CCCCN(C)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069088921 520415482 /nfs/dbraw/zinc/41/54/82/520415482.db2.gz XXZBBKKHKMTIIK-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCCN(CC)C[C@@](NC)(C(=O)OCC)C1CC1 ZINC000069090273 520478625 /nfs/dbraw/zinc/47/86/25/520478625.db2.gz AUNXMVAXHMNURZ-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCC[C@@H](CC)COCC[C@H](NCC)C(N)=O ZINC000062543019 521037837 /nfs/dbraw/zinc/03/78/37/521037837.db2.gz OLVSGHFWKXGMFT-OLZOCXBDSA-N 0 3 258.406 2.073 10 0 CEAEHN CCC[C@H](C)N(C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069100229 521035882 /nfs/dbraw/zinc/03/58/82/521035882.db2.gz QQSHAAQXPGEISR-XJKSGUPXSA-N 0 3 284.444 2.427 10 0 CEAEHN CCOC(=O)[C@@H](CCN1CCC(CC)CC1)NC(C)C ZINC000062526335 521057822 /nfs/dbraw/zinc/05/78/22/521057822.db2.gz PPKHIAJCJQFKDX-OAHLLOKOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCC(C)(C)N(C)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000069443149 521306883 /nfs/dbraw/zinc/30/68/83/521306883.db2.gz UGUMAMFDTXAPPX-UHFFFAOYSA-N 0 3 288.388 2.094 10 0 CEAEHN CCN1CCC(O)(Cc2ccc(F)cc2F)CC1 ZINC000050885535 521583558 /nfs/dbraw/zinc/58/35/58/521583558.db2.gz RFOMMRBHAMLLNY-UHFFFAOYSA-N 0 3 255.308 2.354 10 0 CEAEHN CC[C@@H](C)CNS(=O)(=O)c1cccc([C@H](N)CC)c1 ZINC000054489166 521997222 /nfs/dbraw/zinc/99/72/22/521997222.db2.gz ZBZGZIBJVLHVBZ-BXUZGUMPSA-N 0 3 284.425 2.421 10 0 CEAEHN COC[C@@H](C)N(C)[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710892 522218795 /nfs/dbraw/zinc/21/87/95/522218795.db2.gz HSOYFVKTWZSCNS-PELKAZGASA-N 0 3 276.302 2.070 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccccc1[C@H](C)O ZINC000049547199 522369368 /nfs/dbraw/zinc/36/93/68/522369368.db2.gz BIXKEZSHUJBKNF-NRUUGDAUSA-N 0 3 250.342 2.052 10 0 CEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H](O)C(C)C ZINC000161940698 533867207 /nfs/dbraw/zinc/86/72/07/533867207.db2.gz CAOFDSTVYHUIKO-OAHLLOKOSA-N 0 3 278.396 2.402 10 0 CEAEHN CC(C)(C)NC(=O)[C@H](CN)Cc1cc2ccccc2o1 ZINC000068811056 518748006 /nfs/dbraw/zinc/74/80/06/518748006.db2.gz NEBNGZLFWNHMRQ-LBPRGKRZSA-N 0 3 274.364 2.465 10 0 CEAEHN CC(C)CCNC(=O)[C@@H](C)N[C@H](CC(C)C)CN(C)C ZINC000049555870 519659014 /nfs/dbraw/zinc/65/90/14/519659014.db2.gz VINVOPJPYFQBRQ-HUUCEWRRSA-N 0 3 285.476 2.103 10 0 CEAEHN CC(C)CN(Cc1cccnc1C(N)=S)C1CC1 ZINC000061659940 519718564 /nfs/dbraw/zinc/71/85/64/519718564.db2.gz HIKOESLVTYEEIK-UHFFFAOYSA-N 0 3 263.410 2.336 10 0 CEAEHN CC(C)CN1CCN(Cc2ccc3c(c2)CCN3)CC1 ZINC000055083707 519726963 /nfs/dbraw/zinc/72/69/63/519726963.db2.gz ARPANPNBEIQOHG-UHFFFAOYSA-N 0 3 273.424 2.428 10 0 CEAEHN CC(C)CN1CCN([C@@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055080760 519728108 /nfs/dbraw/zinc/72/81/08/519728108.db2.gz OYMBEJYFHGKIRS-MSOLQXFVSA-N 0 3 288.435 2.308 10 0 CEAEHN CC(C)NCc1occc1CN1CCOCC1(C)C ZINC000052546109 519730108 /nfs/dbraw/zinc/73/01/08/519730108.db2.gz LZEVQIOXLYZVKM-UHFFFAOYSA-N 0 3 266.385 2.388 10 0 CEAEHN CC(C)N[C@](C)(C[C@@H](C)Oc1ccccc1F)C(N)=O ZINC000068655862 519740400 /nfs/dbraw/zinc/74/04/00/519740400.db2.gz FOXXLFDRVGCZKX-IAQYHMDHSA-N 0 3 282.359 2.225 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)N[C@@H](C)C(=O)NC1CCCCC1 ZINC000049555896 519775923 /nfs/dbraw/zinc/77/59/23/519775923.db2.gz GRJDQAITMJVQBQ-HOCLYGCPSA-N 0 3 297.487 2.390 10 0 CEAEHN CC(C)[C@H](C)N(C)Cc1ccnc(C(N)=S)c1 ZINC000068752011 519811839 /nfs/dbraw/zinc/81/18/39/519811839.db2.gz RLPZHPDVRZOFLI-JTQLQIEISA-N 0 3 251.399 2.192 10 0 CEAEHN CC(C)[C@H](N)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000049499940 519817521 /nfs/dbraw/zinc/81/75/21/519817521.db2.gz RPVAQEYDNSWTDJ-VIFPVBQESA-N 0 3 255.387 2.362 10 0 CEAEHN CCCN1CCN(CC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000053985962 519858528 /nfs/dbraw/zinc/85/85/28/519858528.db2.gz YBLBHEFAVWWLMK-MRXNPFEDSA-N 0 3 280.387 2.277 10 0 CEAEHN CCNC(=O)c1ccc(NC(=O)C(C)(C)NCC)c(C)c1 ZINC000061293720 519894073 /nfs/dbraw/zinc/89/40/73/519894073.db2.gz QEXKYCQASPUEJH-UHFFFAOYSA-N 0 3 291.395 2.071 10 0 CEAEHN CCCC1CCN(CC[C@@H](NC)C(=O)OCC)CC1 ZINC000062531021 519901590 /nfs/dbraw/zinc/90/15/90/519901590.db2.gz CKTZVQJHECXEKX-CQSZACIVSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCC1CCN(C[C@@](C)(NCC)C(=O)OCC)CC1 ZINC000050905657 519901981 /nfs/dbraw/zinc/90/19/81/519901981.db2.gz TZPKETCWJYSJJL-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(N(C)C)cc1C ZINC000061290593 519906537 /nfs/dbraw/zinc/90/65/37/519906537.db2.gz RHFHBKSZBUFERF-UHFFFAOYSA-N 0 3 263.385 2.388 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1N1CCCC1=O ZINC000061298550 519908158 /nfs/dbraw/zinc/90/81/58/519908158.db2.gz CDTYXLNHELQIAJ-UHFFFAOYSA-N 0 3 289.379 2.140 10 0 CEAEHN CCNC(C)(C)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000061149862 519908765 /nfs/dbraw/zinc/90/87/65/519908765.db2.gz ISTBWHVMKBGONP-UHFFFAOYSA-N 0 3 263.341 2.425 10 0 CEAEHN CCCNCc1cc(-n2nnc3ccccc32)ccn1 ZINC000051491745 519942257 /nfs/dbraw/zinc/94/22/57/519942257.db2.gz JAJZZMPWIMMWNB-UHFFFAOYSA-N 0 3 267.336 2.315 10 0 CEAEHN CCNCc1cc(CN(C)[C@H](C)COC)oc1C ZINC000052511468 519986749 /nfs/dbraw/zinc/98/67/49/519986749.db2.gz JEONLJRIPZMZTF-LLVKDONJSA-N 0 3 254.374 2.164 10 0 CEAEHN CCCN[C@@H](CS(C)(=O)=O)c1cccc2cnccc21 ZINC000061124488 520010442 /nfs/dbraw/zinc/01/04/42/520010442.db2.gz LDIXXJGDBNLANL-HNNXBMFYSA-N 0 3 292.404 2.320 10 0 CEAEHN CCNCc1cnc(N(C)[C@@H]2CCSC2)s1 ZINC000054902988 520016132 /nfs/dbraw/zinc/01/61/32/520016132.db2.gz QQELPSGUFLBLSF-SECBINFHSA-N 0 3 257.428 2.194 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCC(C)(C)O)ccc21 ZINC000062805115 520027378 /nfs/dbraw/zinc/02/73/78/520027378.db2.gz SOUXXCRVQBNSJL-CYBMUJFWSA-N 0 3 265.353 2.269 10 0 CEAEHN CCCN[C@@H]1c2ccc(OC)cc2CC[C@H]1S(C)(=O)=O ZINC000054930622 520028352 /nfs/dbraw/zinc/02/83/52/520028352.db2.gz YJJFKQZWRJAIOF-HUUCEWRRSA-N 0 3 297.420 2.095 10 0 CEAEHN CCNCc1occc1CN1CCCSCC1 ZINC000052371057 520030745 /nfs/dbraw/zinc/03/07/45/520030745.db2.gz PUHQIQDKSCGAJP-UHFFFAOYSA-N 0 3 254.399 2.328 10 0 CEAEHN CCCN[C@@](CO[C@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196127 520057543 /nfs/dbraw/zinc/05/75/43/520057543.db2.gz RJWUOTDDKROIAB-DUVNUKRYSA-N 0 3 282.428 2.215 10 0 CEAEHN CCCN[C@H](CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451258 520069143 /nfs/dbraw/zinc/06/91/43/520069143.db2.gz NAFJABAJMHGODM-CQSZACIVSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@H](CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000062451258 520069148 /nfs/dbraw/zinc/06/91/48/520069148.db2.gz NAFJABAJMHGODM-CQSZACIVSA-N 0 3 270.417 2.484 10 0 CEAEHN CCC[NH2+][C@H](CCN(C)C1CCCCCC1)C(=O)[O-] ZINC000062451258 520069149 /nfs/dbraw/zinc/06/91/49/520069149.db2.gz NAFJABAJMHGODM-CQSZACIVSA-N 0 3 270.417 2.484 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCCC(=O)NC ZINC000062746862 520075921 /nfs/dbraw/zinc/07/59/21/520075921.db2.gz SUGRNEUZQCRDDE-JTQLQIEISA-N 0 3 268.332 2.011 10 0 CEAEHN CCN[C@@H](C)c1cnc(N(C)[C@@H](C)COC)s1 ZINC000054906774 520080344 /nfs/dbraw/zinc/08/03/44/520080344.db2.gz WKYUNTCQFPLPNN-UWVGGRQHSA-N 0 3 257.403 2.285 10 0 CEAEHN CCCN[C@H](Cc1cnn(C)c1)c1ncccc1C ZINC000050543242 520087267 /nfs/dbraw/zinc/08/72/67/520087267.db2.gz FZUOEANSBCXADR-CQSZACIVSA-N 0 3 258.369 2.407 10 0 CEAEHN CCCN[C@H](c1cc(OC)ccc1OC)[C@H]1COCCO1 ZINC000055300461 520088546 /nfs/dbraw/zinc/08/85/46/520088546.db2.gz UKQLMPRUAMNGLG-HZPDHXFCSA-N 0 3 295.379 2.160 10 0 CEAEHN CCCNc1ccc(C)cc1C(=O)N[C@H]1CCN(C)C1 ZINC000053004431 520154950 /nfs/dbraw/zinc/15/49/50/520154950.db2.gz VIJOEZFGHJRXDJ-ZDUSSCGKSA-N 0 3 275.396 2.251 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@H](CC)C(N)=O ZINC000062746897 520178538 /nfs/dbraw/zinc/17/85/38/520178538.db2.gz LCYXNNUXXJMGDT-BXKDBHETSA-N 0 3 268.332 2.139 10 0 CEAEHN CCN[C@H](C)c1ccccc1OC[C@@H](O)COCC ZINC000069275297 520181971 /nfs/dbraw/zinc/18/19/71/520181971.db2.gz PCHWRERANYGLDS-OLZOCXBDSA-N 0 3 267.369 2.133 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1ccc(C)c(C)c1 ZINC000052885549 520196801 /nfs/dbraw/zinc/19/68/01/520196801.db2.gz IJPQEZCIBQCVGW-OAHLLOKOSA-N 0 3 275.396 2.321 10 0 CEAEHN CCN[C@H](Cc1cccc(OC)c1)c1ccnn1C ZINC000069467580 520202502 /nfs/dbraw/zinc/20/25/02/520202502.db2.gz BSAVBCHKWRADQL-CQSZACIVSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@H](c1ccccc1CC)[C@@H]1CCS(=O)(=O)C1 ZINC000052201597 520211549 /nfs/dbraw/zinc/21/15/49/520211549.db2.gz OKESJWSZHUVVLF-HIFRSBDPSA-N 0 3 281.421 2.334 10 0 CEAEHN CCCCCNC(=O)[C@@H](C)N[C@@H](C)CN1CCCCC1 ZINC000049501557 520212806 /nfs/dbraw/zinc/21/28/06/520212806.db2.gz NGNCTXQWBCEUSW-LSDHHAIUSA-N 0 3 283.460 2.145 10 0 CEAEHN CCNc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000050727833 520280245 /nfs/dbraw/zinc/28/02/45/520280245.db2.gz YYQOLRCPHGIGMP-UHFFFAOYSA-N 0 3 275.396 2.285 10 0 CEAEHN CCNc1ncccc1CN1CCCC[C@H]1CCO ZINC000052717177 520378555 /nfs/dbraw/zinc/37/85/55/520378555.db2.gz YYTIJAAGZDJGDX-AWEZNQCLSA-N 0 3 263.385 2.250 10 0 CEAEHN CCCOc1ccc(O[C@H](C)C[C@@](C)(NC)C(N)=O)cc1 ZINC000068657283 520410089 /nfs/dbraw/zinc/41/00/89/520410089.db2.gz YMIFXQBPNMQCTF-MLGOLLRUSA-N 0 3 294.395 2.096 10 0 CEAEHN CCCCN(C)c1nc2sccn2c1CNCCOC ZINC000062734497 520438755 /nfs/dbraw/zinc/43/87/55/520438755.db2.gz JQIZKEPPDKCAJB-UHFFFAOYSA-N 0 3 296.440 2.368 10 0 CEAEHN CCCOc1cccc([C@H](NC)[C@H]2CCS(=O)(=O)C2)c1 ZINC000052921188 520470324 /nfs/dbraw/zinc/47/03/24/520470324.db2.gz GXNFQLITROTKNJ-ZFWWWQNUSA-N 0 3 297.420 2.171 10 0 CEAEHN CCCCN(CC)C[C@@](NCC)(C(=O)OC)C1CC1 ZINC000069090358 520479712 /nfs/dbraw/zinc/47/97/12/520479712.db2.gz DLCFZYRXXYECNL-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)N ZINC000062745769 520536421 /nfs/dbraw/zinc/53/64/21/520536421.db2.gz HLFSLSCXRQYVEJ-MNOVXSKESA-N 0 3 282.359 2.481 10 0 CEAEHN CCN(CC)C(=O)[C@H](CN)Cc1cc(C)ccc1C ZINC000050304806 520536658 /nfs/dbraw/zinc/53/66/58/520536658.db2.gz MJXLGNMVZWUCEN-HNNXBMFYSA-N 0 3 262.397 2.289 10 0 CEAEHN CCN(CC)C(=O)[C@H](CN)Cc1ccc2ncccc2c1 ZINC000069500532 520536758 /nfs/dbraw/zinc/53/67/58/520536758.db2.gz YPDADIJOQWNFEQ-HNNXBMFYSA-N 0 3 285.391 2.221 10 0 CEAEHN CCCCN(CC[C@H]([NH2+]CCC)C(=O)[O-])C1CC1 ZINC000062459236 520538242 /nfs/dbraw/zinc/53/82/42/520538242.db2.gz ZDWRAIHXDMKCIY-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN(CC)C[C@H](C)Nc1nccn(CC(C)C)c1=O ZINC000061766139 520735566 /nfs/dbraw/zinc/73/55/66/520735566.db2.gz PRUMIRVXABFSGT-ZDUSSCGKSA-N 0 3 280.416 2.042 10 0 CEAEHN CCOC(=O)C[C@]1(N2CCOCC2)C[C@@H](C)CC[C@@H]1C ZINC000068633920 520902911 /nfs/dbraw/zinc/90/29/11/520902911.db2.gz MDAHJRPTIWXQPU-OFQRWUPVSA-N 0 3 283.412 2.467 10 0 CEAEHN CCOc1ccc(C2(O)CCN(C)CC2)cc1OCC ZINC000055192429 520927904 /nfs/dbraw/zinc/92/79/04/520927904.db2.gz UVUVQNKHXYKCLN-UHFFFAOYSA-N 0 3 279.380 2.397 10 0 CEAEHN CC1CCC([N@H+](C)CC[C@@H](NC2CC2)C(=O)[O-])CC1 ZINC000062525136 520936111 /nfs/dbraw/zinc/93/61/11/520936111.db2.gz BIWLNAFMTVBILF-UXUKBGGZSA-N 0 3 268.401 2.092 10 0 CEAEHN CC1CCC([N@@H+](C)CC[C@@H](NC2CC2)C(=O)[O-])CC1 ZINC000062525136 520936123 /nfs/dbraw/zinc/93/61/23/520936123.db2.gz BIWLNAFMTVBILF-UXUKBGGZSA-N 0 3 268.401 2.092 10 0 CEAEHN CCC[C@H](CC)NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051093852 521081339 /nfs/dbraw/zinc/08/13/39/521081339.db2.gz YMFQUBULUXURME-VIFPVBQESA-N 0 3 270.764 2.329 10 0 CEAEHN CCOC(=O)[C@@](CN1CCC(C)CC1)(NC(C)C)C1CC1 ZINC000069092659 521166706 /nfs/dbraw/zinc/16/67/06/521166706.db2.gz BKZOKQBOGFJDOU-KRWDZBQOSA-N 0 3 296.455 2.428 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCCC(C)(C)C1)NC(C)C ZINC000069516510 521319165 /nfs/dbraw/zinc/31/91/65/521319165.db2.gz DXHAZKHEYWDIJN-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCc1cc(NN)nc(-c2ccc3c(c2)OCO3)n1 ZINC000051168642 521381094 /nfs/dbraw/zinc/38/10/94/521381094.db2.gz CWYTVEWAAPMASY-UHFFFAOYSA-N 0 3 272.308 2.110 10 0 CEAEHN CCN(Cc1nc2sccc2c(NN)n1)CC1CC1 ZINC000069239772 521457318 /nfs/dbraw/zinc/45/73/18/521457318.db2.gz FNOYYHXHWVUARQ-UHFFFAOYSA-N 0 3 277.397 2.209 10 0 CEAEHN CCN(c1nc2sccn2c1CNCCOC)C1CC1 ZINC000062735095 521505979 /nfs/dbraw/zinc/50/59/79/521505979.db2.gz MXNLQZXFKCHDFC-UHFFFAOYSA-N 0 3 294.424 2.121 10 0 CEAEHN CCCN(CC(F)(F)F)c1ncc(CN)s1 ZINC000054896595 521587502 /nfs/dbraw/zinc/58/75/02/521587502.db2.gz BODBHIBUOORNIL-UHFFFAOYSA-N 0 3 253.293 2.381 10 0 CEAEHN CCCn1c(C)nnc1CN1CCC(c2ccn[nH]2)CC1 ZINC000155396563 521622818 /nfs/dbraw/zinc/62/28/18/521622818.db2.gz XETURSGYOPCWRF-UHFFFAOYSA-N 0 3 288.399 2.099 10 0 CEAEHN CCCN(CCN(C)C)C(=O)c1cc(C)ccc1NC ZINC000053004355 521655502 /nfs/dbraw/zinc/65/55/02/521655502.db2.gz JUSGMIBCNWZYOC-UHFFFAOYSA-N 0 3 277.412 2.451 10 0 CEAEHN COc1c(C)cnc(Cn2ccnc2CNC2CC2)c1C ZINC000051015005 521814552 /nfs/dbraw/zinc/81/45/52/521814552.db2.gz OCKPOZRJXXSANH-UHFFFAOYSA-N 0 3 286.379 2.204 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1c(F)cc(C=O)cc1F ZINC000062708220 521843383 /nfs/dbraw/zinc/84/33/83/521843383.db2.gz HYSMXWVDNNDTFP-NSHDSACASA-N 0 3 268.307 2.308 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000061300729 521940013 /nfs/dbraw/zinc/94/00/13/521940013.db2.gz VLAQJSVBODHTMV-UHFFFAOYSA-N 0 3 284.743 2.063 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000061316692 521943539 /nfs/dbraw/zinc/94/35/39/521943539.db2.gz LZPJIRWNMLSDCS-UHFFFAOYSA-N 0 3 292.770 2.462 10 0 CEAEHN CNCc1cc(Cn2nnc(-c3ccccc3)n2)oc1C ZINC000052574621 522110443 /nfs/dbraw/zinc/11/04/43/522110443.db2.gz OUTNBSRQKRXTGY-UHFFFAOYSA-N 0 3 283.335 2.009 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@H](N)c2ccccc2OC)CC1 ZINC000055065577 522124675 /nfs/dbraw/zinc/12/46/75/522124675.db2.gz FFVUTUUWVDULAZ-ZBFHGGJFSA-N 0 3 291.439 2.111 10 0 CEAEHN CC[C@@H](C)N1CCN([C@H]2CCCCCC[C@@H]2O)CC1 ZINC000055069811 522132148 /nfs/dbraw/zinc/13/21/48/522132148.db2.gz VZTUTRLKJHMYQV-PMPSAXMXSA-N 0 3 268.445 2.486 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(CO)cc2F)CC1 ZINC000055067942 522133485 /nfs/dbraw/zinc/13/34/85/522133485.db2.gz KXIISRSLCASYMC-GFCCVEGCSA-N 0 3 266.360 2.239 10 0 CEAEHN CN(C)c1cccc(Oc2ccnc(C(=N)N)c2)c1 ZINC000061814643 522282637 /nfs/dbraw/zinc/28/26/37/522282637.db2.gz ZSOJMYZFCKFIBZ-UHFFFAOYSA-N 0 3 256.309 2.224 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCC(=O)N1CCCC1 ZINC000062746562 522330054 /nfs/dbraw/zinc/33/00/54/522330054.db2.gz KGAFWZGEKUFREF-NSHDSACASA-N 0 3 280.343 2.107 10 0 CEAEHN CN[C@@H](c1cccs1)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392464 522371531 /nfs/dbraw/zinc/37/15/31/522371531.db2.gz LSOMDUNELHOCBF-CQSZACIVSA-N 0 3 287.388 2.247 10 0 CEAEHN CN[C@@H]1COc2cc(OCCOC(C)C)ccc21 ZINC000062804132 522401175 /nfs/dbraw/zinc/40/11/75/522401175.db2.gz ORPDSCZNQSVCMY-CYBMUJFWSA-N 0 3 251.326 2.143 10 0 CEAEHN COC(=O)c1occc1CNC[C@H](C)CSC ZINC000069438108 522412222 /nfs/dbraw/zinc/41/22/22/522412222.db2.gz BGDCDJKRKNNHSE-VIFPVBQESA-N 0 3 257.355 2.155 10 0 CEAEHN CN[C@@](C)(CCS[C@@H]1CCC[C@@H](C)C1)C(N)=O ZINC000054695839 522414027 /nfs/dbraw/zinc/41/40/27/522414027.db2.gz NIGYVYSYAXIXEA-WZRBSPASSA-N 0 3 258.431 2.152 10 0 CEAEHN CN[C@@](C)(C[C@H](C)Oc1cccc2ccccc21)C(N)=O ZINC000068656747 522422046 /nfs/dbraw/zinc/42/20/46/522422046.db2.gz WALWPZMJMJDTFP-SJCJKPOMSA-N 0 3 286.375 2.461 10 0 CEAEHN CN[C@H](C)c1ccccc1OC[C@H](O)C(F)(F)F ZINC000068876431 522452830 /nfs/dbraw/zinc/45/28/30/522452830.db2.gz NXBCEJVTUFTEHB-KCJUWKMLSA-N 0 3 263.259 2.269 10 0 CEAEHN CN[C@H](CCSc1ccc(C(C)C)cc1)C(N)=O ZINC000062598665 522463602 /nfs/dbraw/zinc/46/36/02/522463602.db2.gz XDISTAFDOOCBHX-CYBMUJFWSA-N 0 3 266.410 2.366 10 0 CEAEHN CN[C@H](Cn1ncccc1=O)c1ccc(CC(C)C)cc1 ZINC000061402239 522476922 /nfs/dbraw/zinc/47/69/22/522476922.db2.gz BMGBTTWJEFAVMX-MRXNPFEDSA-N 0 3 285.391 2.403 10 0 CEAEHN CN[C@H](c1nccn1C)C1(c2ccccc2)CCOCC1 ZINC000069473945 522488365 /nfs/dbraw/zinc/48/83/65/522488365.db2.gz VRINVTWUSLVWDB-OAHLLOKOSA-N 0 3 285.391 2.429 10 0 CEAEHN CN[C@](C)(C[C@H](C)Oc1ccc2ccccc2c1)C(N)=O ZINC000068656937 522523300 /nfs/dbraw/zinc/52/33/00/522523300.db2.gz ZTIGISFGFIGBRH-YVEFUNNKSA-N 0 3 286.375 2.461 10 0 CEAEHN CN[C@](C)(C[C@H](C)Sc1nc2ccccc2o1)C(N)=O ZINC000068637613 522525948 /nfs/dbraw/zinc/52/59/48/522525948.db2.gz YIJFEHYARDPPEG-LKFCYVNXSA-N 0 3 293.392 2.162 10 0 CEAEHN CCc1nccn1-c1c(F)cc(CNC)cc1F ZINC000062719743 522579869 /nfs/dbraw/zinc/57/98/69/522579869.db2.gz WNRVZKUFMSPIDO-UHFFFAOYSA-N 0 3 251.280 2.432 10 0 CEAEHN COc1cc(F)c([C@H](N)[C@H]2CCCO2)cc1OC ZINC000061560750 522589630 /nfs/dbraw/zinc/58/96/30/522589630.db2.gz UTAAMRAMEIENKA-MFKMUULPSA-N 0 3 255.289 2.022 10 0 CEAEHN COc1cc(F)ccc1NC(=O)[C@@H](N)C(C)(C)C ZINC000049569912 522608357 /nfs/dbraw/zinc/60/83/57/522608357.db2.gz PPGPDWCPEWDGRW-LLVKDONJSA-N 0 3 254.305 2.146 10 0 CEAEHN CCc1oc(C(=O)OC)cc1CN[C@@H](C)[C@H]1CCCO1 ZINC000183156168 523003875 /nfs/dbraw/zinc/00/38/75/523003875.db2.gz PAFPXNSRLSCPEH-GXFFZTMASA-N 0 3 281.352 2.286 10 0 CEAEHN CCn1c(=O)[n-]nc1Sc1ccc([C@H](C)[NH2+]C)cc1 ZINC000061595858 523096631 /nfs/dbraw/zinc/09/66/31/523096631.db2.gz FTMAAHHMZBCOLH-VIFPVBQESA-N 0 3 278.381 2.023 10 0 CEAEHN COC(=O)CCOc1ccc(C)cc1CNC(C)C ZINC000069317736 523104753 /nfs/dbraw/zinc/10/47/53/523104753.db2.gz LNNJEWVRJLUGNK-UHFFFAOYSA-N 0 3 265.353 2.435 10 0 CEAEHN COc1ccc(-c2ncc(CNC3CC3)cn2)cc1 ZINC000054856186 523237199 /nfs/dbraw/zinc/23/71/99/523237199.db2.gz BMFXJUPKXPPMSB-UHFFFAOYSA-N 0 3 255.321 2.404 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2ccc(OC)c(C)c2)CCO1 ZINC000050596652 523303598 /nfs/dbraw/zinc/30/35/98/523303598.db2.gz VFVISEHDBGPSRB-GJZGRUSLSA-N 0 3 278.396 2.114 10 0 CEAEHN CCn1cc(CN2C[C@H](C)NC[C@@H]2c2ccccc2)cn1 ZINC000068699039 523376623 /nfs/dbraw/zinc/37/66/23/523376623.db2.gz IUXQODUWGYKFMD-WMLDXEAASA-N 0 3 284.407 2.438 10 0 CEAEHN COCCCOCc1csc(CNCC(C)C)n1 ZINC000052597443 523406380 /nfs/dbraw/zinc/40/63/80/523406380.db2.gz PIJZSLUWKMPBCW-UHFFFAOYSA-N 0 3 272.414 2.442 10 0 CEAEHN COCCCOc1c(C)cc(CNCCOC)cc1C ZINC000062728625 523409231 /nfs/dbraw/zinc/40/92/31/523409231.db2.gz YQBUZENUBIQZPL-UHFFFAOYSA-N 0 3 281.396 2.455 10 0 CEAEHN CN(Cc1cnn(C)c1)[C@@H](CC(N)=S)c1ccccc1 ZINC000055025052 523514406 /nfs/dbraw/zinc/51/44/06/523514406.db2.gz QRWNXDXBGVURTR-AWEZNQCLSA-N 0 3 288.420 2.269 10 0 CEAEHN CC[C@@H]1CSC(NC[C@H]2Cc3ccccc3O2)=N1 ZINC000051087006 523519211 /nfs/dbraw/zinc/51/92/11/523519211.db2.gz SRYYGLSVBKFMGK-VXGBXAGGSA-N 0 3 262.378 2.461 10 0 CEAEHN COCCN(C(=O)[C@@H](CN)c1ccccc1)[C@@H](C)C1CC1 ZINC000061612097 523547454 /nfs/dbraw/zinc/54/74/54/523547454.db2.gz XEWYUMPFCOAERC-BBRMVZONSA-N 0 3 290.407 2.002 10 0 CEAEHN CN(c1nc(C2CC2)c(CN)s1)[C@@H]1CCSC1 ZINC000069146941 523664713 /nfs/dbraw/zinc/66/47/13/523664713.db2.gz WREHZWKFPAJZRM-SECBINFHSA-N 0 3 269.439 2.421 10 0 CEAEHN COCCN([C@H](CN)c1cc(F)c(F)c(F)c1)C1CC1 ZINC000062710901 523782314 /nfs/dbraw/zinc/78/23/14/523782314.db2.gz FOSJOGJFGRPEFL-CYBMUJFWSA-N 0 3 288.313 2.215 10 0 CEAEHN CCc1cc(N2CCNCc3ccccc32)ncn1 ZINC000062819091 523797683 /nfs/dbraw/zinc/79/76/83/523797683.db2.gz MKQDRNXVSOTIRH-UHFFFAOYSA-N 0 3 254.337 2.280 10 0 CEAEHN CN1CCN(C[C@H](N)c2ccc3ccccc3c2)C1=O ZINC000052885749 523906639 /nfs/dbraw/zinc/90/66/39/523906639.db2.gz ORLLHJRGMQVQEP-HNNXBMFYSA-N 0 3 269.348 2.207 10 0 CEAEHN COCCNCCSc1ccc(C(F)(F)F)cn1 ZINC000053615592 523938504 /nfs/dbraw/zinc/93/85/04/523938504.db2.gz PSYUXUNPLHRHMS-UHFFFAOYSA-N 0 3 280.315 2.429 10 0 CEAEHN COCCNC[C@@](C)(O)c1ccc(Cl)c(Cl)c1 ZINC000055033623 523942275 /nfs/dbraw/zinc/94/22/75/523942275.db2.gz POSBGVLGYXLCSZ-GFCCVEGCSA-N 0 3 278.179 2.437 10 0 CEAEHN COCCNC[C@](C)(O)c1ccc2cc(OC)ccc2c1 ZINC000055033636 523944837 /nfs/dbraw/zinc/94/48/37/523944837.db2.gz CYGXUKJCKGICRF-KRWDZBQOSA-N 0 3 289.375 2.292 10 0 CEAEHN COCCNCc1cccc(OC)c1OCCOC(C)C ZINC000062732429 523955028 /nfs/dbraw/zinc/95/50/28/523955028.db2.gz DMQGKMJYUGTSMO-UHFFFAOYSA-N 0 3 297.395 2.235 10 0 CEAEHN COCCNCc1cnc(N(C)CC(C)(C)C)s1 ZINC000054908659 523957390 /nfs/dbraw/zinc/95/73/90/523957390.db2.gz RSEMNRDCVYVDPG-UHFFFAOYSA-N 0 3 271.430 2.361 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H]2CCCCCC[C@@H]2O)CC1 ZINC000055069808 523958167 /nfs/dbraw/zinc/95/81/67/523958167.db2.gz VZTUTRLKJHMYQV-XHSDSOJGSA-N 0 3 268.445 2.486 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(F)cc2N)CC1 ZINC000055066319 523960082 /nfs/dbraw/zinc/96/00/82/523960082.db2.gz OMRUTLSUTVZPRN-NSHDSACASA-N 0 3 251.349 2.328 10 0 CEAEHN CCc1ccc([C@@H](CN)N2CCN(CC(C)C)CC2)o1 ZINC000055077938 524028487 /nfs/dbraw/zinc/02/84/87/524028487.db2.gz YMJNQMFJTQQUQS-OAHLLOKOSA-N 0 3 279.428 2.115 10 0 CEAEHN Cc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)on1 ZINC000052852925 524148107 /nfs/dbraw/zinc/14/81/07/524148107.db2.gz AQNSKRLCJWQINU-CYBMUJFWSA-N 0 3 273.336 2.016 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1ccc2c(c1)CCCN2 ZINC000049184861 524316693 /nfs/dbraw/zinc/31/66/93/524316693.db2.gz XXINIJIUQVRWKM-CYBMUJFWSA-N 0 3 287.407 2.259 10 0 CEAEHN C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)[C@@H](C)CN1 ZINC000062656421 524455303 /nfs/dbraw/zinc/45/53/03/524455303.db2.gz MQZIKUHXLIUSFJ-STQMWFEESA-N 0 3 260.381 2.173 10 0 CEAEHN Cc1cccc(CSC[C@H](NC(C)C)C(N)=O)c1 ZINC000054966460 524460719 /nfs/dbraw/zinc/46/07/19/524460719.db2.gz MAMDVJSJRJHTTN-ZDUSSCGKSA-N 0 3 266.410 2.080 10 0 CEAEHN C[C@H](CNc1nccn(C(C)(C)C)c1=O)N1CCCCC1 ZINC000061763912 524512323 /nfs/dbraw/zinc/51/23/23/524512323.db2.gz LBYNOJOFYQGMKP-CYBMUJFWSA-N 0 3 292.427 2.285 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cccc3cccnc32)CCCO1 ZINC000069502775 524664714 /nfs/dbraw/zinc/66/47/14/524664714.db2.gz HUKPADJOLQIHEY-BBRMVZONSA-N 0 3 285.391 2.345 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ncc(Cl)n1C ZINC000375791284 524685394 /nfs/dbraw/zinc/68/53/94/524685394.db2.gz LSSAIZUYCQPKML-RYUDHWBXSA-N 0 3 282.819 2.132 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc(Cl)cc1F ZINC000069133274 524696424 /nfs/dbraw/zinc/69/64/24/524696424.db2.gz ZQDCSYHMOMQQLX-IUCAKERBSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@H+](CC1CC1)C1CC1 ZINC000068648299 524851997 /nfs/dbraw/zinc/85/19/97/524851997.db2.gz ATDIXFBMTICUTL-MEDUHNTESA-N 0 3 280.412 2.235 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@@H+](CC1CC1)C1CC1 ZINC000068648299 524852007 /nfs/dbraw/zinc/85/20/07/524852007.db2.gz ATDIXFBMTICUTL-MEDUHNTESA-N 0 3 280.412 2.235 10 0 CEAEHN Cc1ccc(F)cc1[C@@H](N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000062664961 524873882 /nfs/dbraw/zinc/87/38/82/524873882.db2.gz YENYFVKDHVZERK-AWEZNQCLSA-N 0 3 271.295 2.352 10 0 CEAEHN C[C@@H]([NH3+])[C@@]([O-])(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784726 525014350 /nfs/dbraw/zinc/01/43/50/525014350.db2.gz ZZZKXTFESXLJRO-MLUIRONXSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H](N)c1cnc(N2CCN(C3CCCC3)CC2)s1 ZINC000054896361 525033309 /nfs/dbraw/zinc/03/33/09/525033309.db2.gz ZWBZKXRJGPGOAU-LLVKDONJSA-N 0 3 280.441 2.227 10 0 CEAEHN C[C@@H]1CN(c2ccc(Cl)cc2CN)C[C@H](C)O1 ZINC000052856519 525065854 /nfs/dbraw/zinc/06/58/54/525065854.db2.gz ROWKUURINAWLPT-AOOOYVTPSA-N 0 3 254.761 2.412 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)CCc1c[nH]c2ccccc12 ZINC000069133189 525095261 /nfs/dbraw/zinc/09/52/61/525095261.db2.gz LSXAMXMNMWTDCK-CHWSQXEVSA-N 0 3 285.391 2.309 10 0 CEAEHN COc1ccc([C@@H](N)COC2CCC2)c(OC)c1 ZINC000050520206 525189960 /nfs/dbraw/zinc/18/99/60/525189960.db2.gz DRBZMHMQFHHNEB-ZDUSSCGKSA-N 0 3 251.326 2.273 10 0 CEAEHN C[C@@H]1C[C@@H](C)CCN1C(=O)[C@@H](CN)c1ccccc1 ZINC000061613352 525197956 /nfs/dbraw/zinc/19/79/56/525197956.db2.gz NMRYCYMGGLQYIF-GUTXKFCHSA-N 0 3 260.381 2.376 10 0 CEAEHN Cc1ccccc1NC(=O)CN[C@@H](CC(C)C)CN(C)C ZINC000049556014 525239315 /nfs/dbraw/zinc/23/93/15/525239315.db2.gz FADDWHBQXUOJLA-HNNXBMFYSA-N 0 3 291.439 2.499 10 0 CEAEHN C[C@@H](NC(=O)[C@H](CN)c1ccccc1)c1cccc(O)c1 ZINC000061611637 525288208 /nfs/dbraw/zinc/28/82/08/525288208.db2.gz PVVKBJLVINEWHF-MLGOLLRUSA-N 0 3 284.359 2.312 10 0 CEAEHN Cc1ccc(NS(=O)(=O)C[C@H]2CCCCN2)c(C)c1 ZINC000049630504 525293940 /nfs/dbraw/zinc/29/39/40/525293940.db2.gz VOHOJMHZBIFBJR-CYBMUJFWSA-N 0 3 282.409 2.187 10 0 CEAEHN COc1ccc([C@H](N)COC2CCC2)c(OC)c1 ZINC000050520205 525364276 /nfs/dbraw/zinc/36/42/76/525364276.db2.gz DRBZMHMQFHHNEB-CYBMUJFWSA-N 0 3 251.326 2.273 10 0 CEAEHN Cc1nc[nH]c1CNC[C@H](c1ccccc1)N(C)C ZINC000054793966 525461045 /nfs/dbraw/zinc/46/10/45/525461045.db2.gz VNRQVEAXFSBTQO-OAHLLOKOSA-N 0 3 258.369 2.111 10 0 CEAEHN Cc1ccc(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)cc1 ZINC000068653500 525461887 /nfs/dbraw/zinc/46/18/87/525461887.db2.gz BIVJDVVDULJDRB-LRDDRELGSA-N 0 3 276.380 2.148 10 0 CEAEHN Cc1cccnc1NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000051041052 525544865 /nfs/dbraw/zinc/54/48/65/525544865.db2.gz SPHWXKOPHGGBOU-HNNXBMFYSA-N 0 3 276.428 2.074 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)Nc1cccnc1Cl)[C@H]1CCCO1 ZINC000183141153 525592074 /nfs/dbraw/zinc/59/20/74/525592074.db2.gz TXJQFTZGCYKBBK-JFGNBEQYSA-N 0 3 297.786 2.219 10 0 CEAEHN Cc1ccc(SCC[C@H](NC(C)C)C(N)=O)cc1 ZINC000062598304 525660750 /nfs/dbraw/zinc/66/07/50/525660750.db2.gz WFRYNFSULIYMKN-ZDUSSCGKSA-N 0 3 266.410 2.329 10 0 CEAEHN CSC[C@H](C)CNCC(=O)Nc1ccccc1F ZINC000069448104 525681151 /nfs/dbraw/zinc/68/11/51/525681151.db2.gz VBOLYRQGHVJAAI-SNVBAGLBSA-N 0 3 270.373 2.353 10 0 CEAEHN C[C@@H](N[C@H]1CCCc2sccc21)C(=O)NC1CC1 ZINC000061362445 525681282 /nfs/dbraw/zinc/68/12/82/525681282.db2.gz XAPVNPAFAPBORZ-SKDRFNHKSA-N 0 3 264.394 2.382 10 0 CEAEHN C[C@@](N)(C(=O)Nc1nc2c(s1)CCCC2)C1CC1 ZINC000049559583 525748937 /nfs/dbraw/zinc/74/89/37/525748937.db2.gz DFBVJHBNKCNQIW-ZDUSSCGKSA-N 0 3 265.382 2.088 10 0 CEAEHN Cc1nnc(OCc2ccccc2F)c(C(=N)N)c1C ZINC000069284526 526376839 /nfs/dbraw/zinc/37/68/39/526376839.db2.gz QKUYEMHNDPIKMB-UHFFFAOYSA-N 0 3 274.299 2.096 10 0 CEAEHN Fc1cccc(Cc2ncc(CNC3CC3)cn2)c1 ZINC000054856205 526389314 /nfs/dbraw/zinc/38/93/14/526389314.db2.gz NSHYPZJCQZFXDG-UHFFFAOYSA-N 0 3 257.312 2.459 10 0 CEAEHN c1cc(CNC2CC2)c(Cn2nnc3ccccc32)o1 ZINC000052576583 526426251 /nfs/dbraw/zinc/42/62/51/526426251.db2.gz MDQKICSPXOGDTM-UHFFFAOYSA-N 0 3 268.320 2.325 10 0 CEAEHN O=C(NCCc1ccccc1F)c1ccc2c(c1)CNC2 ZINC000156640940 526431532 /nfs/dbraw/zinc/43/15/32/526431532.db2.gz BPNJOSMEPNJBRP-UHFFFAOYSA-N 0 3 284.334 2.401 10 0 CEAEHN c1ccc([C@H]2CCc3[nH]nc(N4CCNCC4)c3C2)cc1 ZINC000062670024 526498786 /nfs/dbraw/zinc/49/87/86/526498786.db2.gz CYQOFRMJPMUZDG-AWEZNQCLSA-N 0 3 282.391 2.092 10 0 CEAEHN c1ccc([C@H]2CN(Cc3ccncc3)CCN2)cc1 ZINC000068693587 526498835 /nfs/dbraw/zinc/49/88/35/526498835.db2.gz PGRMTQPRAVDVKA-MRXNPFEDSA-N 0 3 253.349 2.228 10 0 CEAEHN Cc1oc(CN2C[C@H](C)OC(C)(C)C2)cc1CN ZINC000052543475 526772875 /nfs/dbraw/zinc/77/28/75/526772875.db2.gz IXTAOXNPIRGILK-JTQLQIEISA-N 0 3 252.358 2.046 10 0 CEAEHN [O-]C(=NOCC[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000062578325 526845726 /nfs/dbraw/zinc/84/57/26/526845726.db2.gz HEWKBFKDVNQAKY-UHFFFAOYSA-N 0 3 283.759 2.489 10 0 CEAEHN Cc1ncc(CN[C@@H](C)c2ccc3c(c2)OCO3)[nH]1 ZINC000054821823 526890974 /nfs/dbraw/zinc/89/09/74/526890974.db2.gz YUPLGYKZSNHICL-VIFPVBQESA-N 0 3 259.309 2.298 10 0 CEAEHN Cc1ncc(CNc2ccc(-n3ccnc3C)nc2)[nH]1 ZINC000054822207 526896334 /nfs/dbraw/zinc/89/63/34/526896334.db2.gz QPCYMEJFAVJZBG-UHFFFAOYSA-N 0 3 268.324 2.219 10 0 CEAEHN Cc1nc(N2C[C@@H](C)OC[C@@H]2C)sc1CNC1CC1 ZINC000054997267 526973497 /nfs/dbraw/zinc/97/34/97/526973497.db2.gz PHSFJTIQHGNIRK-VHSXEESVSA-N 0 3 281.425 2.317 10 0 CEAEHN NC(=O)[C@@](CSc1ccc(F)cc1)(NC1CC1)C1CC1 ZINC000069186775 526989241 /nfs/dbraw/zinc/98/92/41/526989241.db2.gz TVIKGNHACNUJGR-HNNXBMFYSA-N 0 3 294.395 2.304 10 0 CEAEHN Clc1cnn(Cc2occc2CNC2CC2)c1 ZINC000052577141 527001123 /nfs/dbraw/zinc/00/11/23/527001123.db2.gz MLZHWKZDDZMAPF-UHFFFAOYSA-N 0 3 251.717 2.430 10 0 CEAEHN O=S(=O)(C[C@H]1CCCCN1)Nc1ccccc1Cl ZINC000049630827 527184788 /nfs/dbraw/zinc/18/47/88/527184788.db2.gz IHRYUZMKKCIGAF-SNVBAGLBSA-N 0 3 288.800 2.224 10 0 CEAEHN NCc1c(F)cccc1Oc1ncnc2c1CCC2 ZINC000061278027 527243380 /nfs/dbraw/zinc/24/33/80/527243380.db2.gz OAAVRXLSHHWPJF-UHFFFAOYSA-N 0 3 259.284 2.355 10 0 CEAEHN NCc1cc(Cn2cc(-c3ccccc3)cn2)ccn1 ZINC000068751056 527248864 /nfs/dbraw/zinc/24/88/64/527248864.db2.gz SROLVWCPDYDSNU-UHFFFAOYSA-N 0 3 264.332 2.452 10 0 CEAEHN NCc1cc(Cl)ccc1N1CCN(C2CC2)CC1 ZINC000052857145 527248948 /nfs/dbraw/zinc/24/89/48/527248948.db2.gz IKCUHCRHPRCXNC-UHFFFAOYSA-N 0 3 265.788 2.083 10 0 CEAEHN NCc1ccc(NC(=O)c2cccc3ncccc32)nc1 ZINC000061410578 527256346 /nfs/dbraw/zinc/25/63/46/527256346.db2.gz QLNHVSOAPNCYGV-UHFFFAOYSA-N 0 3 278.315 2.341 10 0 CEAEHN NCc1cccc(NC(=O)Cc2cccc(O)c2)c1 ZINC000048814687 527259402 /nfs/dbraw/zinc/25/94/02/527259402.db2.gz RGSFSGVUZARVHX-UHFFFAOYSA-N 0 3 256.305 2.032 10 0 CEAEHN Cc1ncc(CNC[C@H]2Cc3ccccc3CN2)s1 ZINC000049538899 527272584 /nfs/dbraw/zinc/27/25/84/527272584.db2.gz XGCPUELTAMMCRH-CQSZACIVSA-N 0 3 273.405 2.256 10 0 CEAEHN N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1COCCO1 ZINC000055301063 527339242 /nfs/dbraw/zinc/33/92/42/527339242.db2.gz QQGXCVSSJOZHCS-QWRGUYRKSA-N 0 3 262.136 2.409 10 0 CEAEHN Cc1nn(-c2ccncc2N)c(C)c1Br ZINC000050588482 527569138 /nfs/dbraw/zinc/56/91/38/527569138.db2.gz KWEOSGSXNVTRAF-UHFFFAOYSA-N 0 3 267.130 2.229 10 0 CEAEHN OCc1sc(N2CC[C@@H](N3CCCC3)C2)nc1C1CC1 ZINC000069183306 527643490 /nfs/dbraw/zinc/64/34/90/527643490.db2.gz DURRLGAMSQDAGW-GFCCVEGCSA-N 0 3 293.436 2.187 10 0 CEAEHN Cc1nn(C)c(N2CCCC2)c1CNC(C)(C)C ZINC000062734065 527675583 /nfs/dbraw/zinc/67/55/83/527675583.db2.gz MRCZGOGNYWZJSA-UHFFFAOYSA-N 0 3 250.390 2.217 10 0 CEAEHN CC(C)(N)C(=O)NCCc1c(Cl)cccc1Cl ZINC000236793632 535196403 /nfs/dbraw/zinc/19/64/03/535196403.db2.gz HJAZIJQHLXGJRG-UHFFFAOYSA-N 0 3 275.179 2.389 10 0 CEAEHN COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5 ZINC000053275063 571770334 /nfs/dbraw/zinc/77/03/34/571770334.db2.gz ZKLXUUYLEHCAMF-UUWFMWQGSA-N 0 3 297.354 2.122 10 0 endogenous,in-man CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000236939887 629129060 /nfs/dbraw/zinc/12/90/60/629129060.db2.gz ORTQZYDCOIFFGG-AMIZOPFISA-N 0 3 288.313 2.436 10 0 CEAEHN CCc1ccc([C@@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261895070 629306827 /nfs/dbraw/zinc/30/68/27/629306827.db2.gz VWRQGNOKSMSEFF-WBMJQRKESA-N 0 3 290.407 2.180 10 0 CEAEHN CCC[C@H](C)CN1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000263487456 631445251 /nfs/dbraw/zinc/44/52/51/631445251.db2.gz HRSWJIHHLANGHW-ZDUSSCGKSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](C)CN1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000263487456 631445254 /nfs/dbraw/zinc/44/52/54/631445254.db2.gz HRSWJIHHLANGHW-ZDUSSCGKSA-N 0 3 270.417 2.294 10 0 CEAEHN NC(=O)C[C@H](N)c1cccc(OCc2ccccc2)c1 ZINC000044250476 638733402 /nfs/dbraw/zinc/73/34/02/638733402.db2.gz HVGUFHIVNAAOAM-HNNXBMFYSA-N 0 3 270.332 2.141 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@H](CNCc2nccs2)C1 ZINC000230167003 639742662 /nfs/dbraw/zinc/74/26/62/639742662.db2.gz JZUSSGHHBFFWTC-LLVKDONJSA-N 0 3 297.424 2.490 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)NC1=O)c1ccc(C(C)(C)C)cc1 ZINC000089753235 640922038 /nfs/dbraw/zinc/92/20/38/640922038.db2.gz RGBMPTXTJMALGZ-FZMZJTMJSA-N 0 3 288.391 2.440 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)OCc2ccccc2)C1 ZINC000181689757 641584618 /nfs/dbraw/zinc/58/46/18/641584618.db2.gz AWHRGXPVJXFXQI-OAHLLOKOSA-N 0 3 291.395 2.244 10 0 CEAEHN NC1(C(=O)Nc2ccc3ccccc3c2)CCOCC1 ZINC000132090286 652495070 /nfs/dbraw/zinc/49/50/70/652495070.db2.gz GLXQYRIYEGHWFZ-UHFFFAOYSA-N 0 3 270.332 2.286 10 0 CEAEHN CCNCc1sc(CS(C)(=O)=O)nc1C(C)(C)C ZINC000082439813 178017859 /nfs/dbraw/zinc/01/78/59/178017859.db2.gz JHUNSOGTLUYUHB-UHFFFAOYSA-N 0 3 290.454 2.095 10 0 CEAEHN NC[C@H](O[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000082452968 178031156 /nfs/dbraw/zinc/03/11/56/178031156.db2.gz PFEGYZCNJXLPCS-NEPJUHHUSA-N 0 3 286.169 2.254 10 0 CEAEHN C[C@](N)(CCO)c1ccc(Br)s1 ZINC000082554914 178089107 /nfs/dbraw/zinc/08/91/07/178089107.db2.gz OONAOAHAZMZFIY-QMMMGPOBSA-N 0 3 250.161 2.067 10 0 CEAEHN Cn1c2ncccc2nc1[C@@H](N)Cc1ccccc1 ZINC000082556001 178092935 /nfs/dbraw/zinc/09/29/35/178092935.db2.gz JGSDUCVXXZYDLO-LBPRGKRZSA-N 0 3 252.321 2.211 10 0 CEAEHN NCc1nccnc1-c1ccc(Br)s1 ZINC000082575245 178116517 /nfs/dbraw/zinc/11/65/17/178116517.db2.gz KBAYWAXUFCOMLB-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN Cc1ncsc1CN(C)CCCCC(N)=S ZINC000082633076 178141929 /nfs/dbraw/zinc/14/19/29/178141929.db2.gz IBNAIHNSVVCZMO-UHFFFAOYSA-N 0 3 257.428 2.340 10 0 CEAEHN CN1c2ccc([C@@H](N)c3ccc(F)cc3)cc2CC1=O ZINC000034940661 361798936 /nfs/dbraw/zinc/79/89/36/361798936.db2.gz WXHWIRVHROOTBO-INIZCTEOSA-N 0 3 270.307 2.393 10 0 CEAEHN COCCN1CC[C@]12CCN(Cc1cccc(F)c1)C2 ZINC000096075932 185090340 /nfs/dbraw/zinc/09/03/40/185090340.db2.gz QUTMSNZMTUHRMK-INIZCTEOSA-N 0 3 278.371 2.122 10 0 CEAEHN C[C@H](NCCC1OCCO1)c1ccc(F)c(F)c1 ZINC000125351697 187180469 /nfs/dbraw/zinc/18/04/69/187180469.db2.gz CAGHQXREHANRDB-VIFPVBQESA-N 0 3 257.280 2.378 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1ccccc1N1CCCC1 ZINC000037016731 361884377 /nfs/dbraw/zinc/88/43/77/361884377.db2.gz YHCGTIXFZGBPDN-LBPRGKRZSA-N 0 3 261.369 2.353 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccccc2C2CC2)C1 ZINC000122002114 539032466 /nfs/dbraw/zinc/03/24/66/539032466.db2.gz IFMQAFHBOXKMFO-MRXNPFEDSA-N 0 3 274.408 2.374 10 0 CEAEHN C[C@@H]1CC[C@@](N)(c2ncc(Br)cn2)C1 ZINC000307494534 539169430 /nfs/dbraw/zinc/16/94/30/539169430.db2.gz LPCGFQKTOAZTKV-XCBNKYQSSA-N 0 3 256.147 2.213 10 0 CEAEHN Cc1cc2c(c(Br)c1)NC[C@]21C[C@H]1N ZINC000725247757 539192505 /nfs/dbraw/zinc/19/25/05/539192505.db2.gz XBYWERQEVHGQDI-MWLCHTKSSA-N 0 3 253.143 2.152 10 0 CEAEHN COC(=O)C1C(=O)Nc2c1c(Cl)ccc2Cl ZINC000725256067 539201873 /nfs/dbraw/zinc/20/18/73/539201873.db2.gz SOTWSHOBHOEWSK-SSDOTTSWSA-N 0 3 260.076 2.202 10 0 CEAEHN Cc1sc([C@@H]2CCCN2)nc1C(=O)NC(C)C ZINC000725264475 539212927 /nfs/dbraw/zinc/21/29/27/539212927.db2.gz PPPRGBAJYKVYGZ-VIFPVBQESA-N 0 3 253.371 2.014 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(F)c(Cl)c2)C1 ZINC000092052660 539229442 /nfs/dbraw/zinc/22/94/42/539229442.db2.gz PUIMXEOIWQTZRT-GFCCVEGCSA-N 0 3 286.778 2.289 10 0 CEAEHN C[C@@H](NC(=O)NCCN(C)C)c1ccc(Cl)s1 ZINC000133433183 539272889 /nfs/dbraw/zinc/27/28/89/539272889.db2.gz CITRDRWGZYHTPN-MRVPVSSYSA-N 0 3 275.805 2.323 10 0 CEAEHN C[C@H](NC(=O)C(C)(C)N)c1ccc2c(c1)CCCC2 ZINC000040922095 362009118 /nfs/dbraw/zinc/00/91/18/362009118.db2.gz GVFUEHKXGDKFPL-NSHDSACASA-N 0 3 260.381 2.480 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cncc(F)c2)=C[C@@H](N)C1 ZINC000675077962 539299039 /nfs/dbraw/zinc/29/90/39/539299039.db2.gz LAKRNDPLKWFNKY-CYBMUJFWSA-N 0 3 293.342 2.182 10 0 CEAEHN C[C@@H](NCCc1cccs1)C(=O)NC1CCCC1 ZINC000034936688 343421383 /nfs/dbraw/zinc/42/13/83/343421383.db2.gz KSXRMXKXUNLZIB-LLVKDONJSA-N 0 3 266.410 2.328 10 0 CEAEHN Cc1cc(C)cc(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000128113367 187351651 /nfs/dbraw/zinc/35/16/51/187351651.db2.gz FIVDEBVLPFMJRZ-INIZCTEOSA-N 0 3 262.397 2.066 10 0 CEAEHN N[C@H](CO)c1cc(Cl)cc(Br)c1 ZINC000095636550 344237348 /nfs/dbraw/zinc/23/73/48/344237348.db2.gz PUIYJAKPFORUNO-MRVPVSSYSA-N 0 3 250.523 2.095 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cccc3cccnc32)C1 ZINC000113266768 344276530 /nfs/dbraw/zinc/27/65/30/344276530.db2.gz AYHPOFHLUCYMJI-INIZCTEOSA-N 0 3 285.391 2.045 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc3ncccc3c2)C1 ZINC000134437502 344374077 /nfs/dbraw/zinc/37/40/77/344374077.db2.gz BSDXNWQAPCHQGM-MRXNPFEDSA-N 0 3 285.391 2.045 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000170834230 344491246 /nfs/dbraw/zinc/49/12/46/344491246.db2.gz OOSZWTIUFNTJGG-RDBSUJKOSA-N 0 3 267.417 2.158 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)n1C ZINC000053372680 362491988 /nfs/dbraw/zinc/49/19/88/362491988.db2.gz VJNNOQMHEAWDPX-HNNXBMFYSA-N 0 3 285.391 2.366 10 0 CEAEHN NCc1cnc(Br)cc1OC(F)(F)F ZINC000238692201 344607659 /nfs/dbraw/zinc/60/76/59/344607659.db2.gz KNVJBEHLTYNVJN-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC000128734724 365802519 /nfs/dbraw/zinc/80/25/19/365802519.db2.gz JTDJXWJUVRDIOW-ZDUSSCGKSA-N 0 3 290.411 2.234 10 0 CEAEHN Fc1ccc(Cl)cc1CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000404246162 344878604 /nfs/dbraw/zinc/87/86/04/344878604.db2.gz GAZTZDVUHCDBQV-ZIAGYGMSSA-N 0 3 284.762 2.042 10 0 CEAEHN CN[C@H](C[S@@](C)=O)c1cccc(C(F)(F)F)c1 ZINC000084045875 178777551 /nfs/dbraw/zinc/77/75/51/178777551.db2.gz WILWVLGQJBIBRY-QGHHPUGFSA-N 0 3 265.300 2.344 10 0 CEAEHN CN1C(=O)[C@H](N)[C@@H]2CCCC[C@@H]2[C@@H]2CCCC[C@H]21 ZINC000584640104 344972054 /nfs/dbraw/zinc/97/20/54/344972054.db2.gz PKGATXGVSMIGRV-XVIXHAIJSA-N 0 3 250.386 2.151 10 0 CEAEHN Cc1ccc([C@H]2NC(=N)Nc3c4cccnc4nn32)cc1 ZINC000584653146 344973779 /nfs/dbraw/zinc/97/37/79/344973779.db2.gz DXVWXKNJGPXHHM-ZDUSSCGKSA-N 0 3 278.319 2.236 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000054073641 362508924 /nfs/dbraw/zinc/50/89/24/362508924.db2.gz XDMDTSYUKOECKM-VHSXEESVSA-N 0 3 299.212 2.104 10 0 CEAEHN CCCN[C@H](CC[C@H](C)OC)c1nccnc1OC ZINC000097388082 185596319 /nfs/dbraw/zinc/59/63/19/185596319.db2.gz KEZDCOXEHRYPTR-NWDGAFQWSA-N 0 3 267.373 2.341 10 0 CEAEHN CC[C@@](C)([C@H](Cc1ccc2ccccc2n1)NN)N(C)C ZINC000097582919 185631043 /nfs/dbraw/zinc/63/10/43/185631043.db2.gz JKKYYEODBAGMDB-IRXDYDNUSA-N 0 3 286.423 2.340 10 0 CEAEHN CCCn1nccc1[C@H](NN)[C@](C)(CC)N1CCCCC1 ZINC000097585130 185632360 /nfs/dbraw/zinc/63/23/60/185632360.db2.gz IGSGDFRPUKMCNM-HOTGVXAUSA-N 0 3 293.459 2.452 10 0 CEAEHN C[C@@H](N)c1nc(CNCCC(F)(F)F)cs1 ZINC000085550432 179093109 /nfs/dbraw/zinc/09/31/09/179093109.db2.gz BWIFZKWGHHRQGJ-ZCFIWIBFSA-N 0 3 253.293 2.205 10 0 CEAEHN Cc1ccnc(NCCCNCc2cccnc2)c1 ZINC000063197166 362758969 /nfs/dbraw/zinc/75/89/69/362758969.db2.gz VJEUAGZUYYBGNN-UHFFFAOYSA-N 0 3 256.353 2.377 10 0 CEAEHN CN(C)C[C@@H](O)Cc1cc(F)ccc1Br ZINC000085794154 179171745 /nfs/dbraw/zinc/17/17/45/179171745.db2.gz SEERQCODAAHLSU-JTQLQIEISA-N 0 3 276.149 2.053 10 0 CEAEHN CCN[C@@H](CCO)C[S@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927574 179201874 /nfs/dbraw/zinc/20/18/74/179201874.db2.gz XJGPHBSJZNFQJD-VBKZILBWSA-N 0 3 297.464 2.452 10 0 CEAEHN Cc1ccc(NC(=O)[C@@H](C)NC[C@H]2CCCC[C@@H]2O)cc1 ZINC000085986099 179211381 /nfs/dbraw/zinc/21/13/81/179211381.db2.gz VCSAHRAJRYKNAV-FMKPAKJESA-N 0 3 290.407 2.463 10 0 CEAEHN CC(C)n1ccc(CNC[C@H]2CCCC[C@@H]2O)n1 ZINC000085985679 179211641 /nfs/dbraw/zinc/21/16/41/179211641.db2.gz FAVNQFLIWXLVLU-OCCSQVGLSA-N 0 3 251.374 2.105 10 0 CEAEHN CCN[C@H](c1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086020905 179217841 /nfs/dbraw/zinc/21/78/41/179217841.db2.gz AVKZIIHLEGRHCL-JQWIXIFHSA-N 0 3 273.423 2.142 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000086021195 179218698 /nfs/dbraw/zinc/21/86/98/179218698.db2.gz AJGLFTDVVMNZGH-HOTGVXAUSA-N 0 3 293.432 2.261 10 0 CEAEHN CCCN[C@@H](c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000086021548 179218939 /nfs/dbraw/zinc/21/89/39/179218939.db2.gz VWLBNJVBYAQPQS-CMPLNLGQSA-N 0 3 273.423 2.224 10 0 CEAEHN CC[C@H]1CC[C@@H](NCc2c(OC)ncnc2OC)[C@@H]1C ZINC000086083925 179228691 /nfs/dbraw/zinc/22/86/91/179228691.db2.gz KDGMFKRWKRCEDT-NTZNESFSSA-N 0 3 279.384 2.408 10 0 CEAEHN Cc1cnc(CN2CCN[C@](C)(c3ccccc3)C2)cn1 ZINC000086147989 179239806 /nfs/dbraw/zinc/23/98/06/179239806.db2.gz NAAGYFOVQONFCK-KRWDZBQOSA-N 0 3 282.391 2.106 10 0 CEAEHN C[C@H]1CN[C@](C)(c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265222 179262562 /nfs/dbraw/zinc/26/25/62/179262562.db2.gz JLLFEPIUGLKBMW-UAGQMJEPSA-N 0 3 274.408 2.375 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccc(N(C)C)c1 ZINC000086446367 179294846 /nfs/dbraw/zinc/29/48/46/179294846.db2.gz LQQAAHDXYRUFBR-LSDHHAIUSA-N 0 3 289.423 2.355 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(C)o2)[C@@H](CC)CN1 ZINC000086447335 179295575 /nfs/dbraw/zinc/29/55/75/179295575.db2.gz FKQAWYRHBJYMEK-NEPJUHHUSA-N 0 3 250.342 2.191 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccn2CC)[C@H](CC)CN1 ZINC000086447724 179295599 /nfs/dbraw/zinc/29/55/99/179295599.db2.gz WUXLUARSSATBOD-CHWSQXEVSA-N 0 3 263.385 2.111 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cccc(F)c2)[C@@H](CC)CN1 ZINC000086447000 179295955 /nfs/dbraw/zinc/29/59/55/179295955.db2.gz VXJRYZKHXPCBBQ-KBPBESRZSA-N 0 3 264.344 2.428 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cc(C)oc1C ZINC000086447250 179295983 /nfs/dbraw/zinc/29/59/83/179295983.db2.gz ANTDOWBPJQHMNN-QWHCGFSZSA-N 0 3 264.369 2.499 10 0 CEAEHN CN[C@@H](Cc1cccc(Br)c1)C(OC)OC ZINC000086452124 179296283 /nfs/dbraw/zinc/29/62/83/179296283.db2.gz IDSIKMFNSYFIFJ-NSHDSACASA-N 0 3 288.185 2.199 10 0 CEAEHN C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)CN1 ZINC000086467927 179298874 /nfs/dbraw/zinc/29/88/74/179298874.db2.gz XGTJEWOVTMSBDU-XALLYKQOSA-N 0 3 276.424 2.412 10 0 CEAEHN CCCN1CCO[C@H](CN)[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584979 179309019 /nfs/dbraw/zinc/30/90/19/179309019.db2.gz CWPLPAYJWWIXCB-CABCVRRESA-N 0 3 298.814 2.459 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC1=NC[C@H](C)CS1 ZINC000086633006 179314781 /nfs/dbraw/zinc/31/47/81/179314781.db2.gz DLBIOTHSNVKTBH-RYUDHWBXSA-N 0 3 257.447 2.291 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@@H]1NCc1cc2c(s1)CCC2 ZINC000086675448 179318657 /nfs/dbraw/zinc/31/86/57/179318657.db2.gz RXQJKWGPJUUMAM-GXTWGEPZSA-N 0 3 299.461 2.292 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@H]1NCCCOc1ccccc1 ZINC000086675870 179319015 /nfs/dbraw/zinc/31/90/15/179319015.db2.gz GTNNCZWWAUQQSS-HUUCEWRRSA-N 0 3 297.420 2.011 10 0 CEAEHN NCc1ccnc(-c2ncc(Cl)cc2Cl)n1 ZINC000086784402 179332121 /nfs/dbraw/zinc/33/21/21/179332121.db2.gz VZQZSBIZJDPNKA-UHFFFAOYSA-N 0 3 255.108 2.304 10 0 CEAEHN CN(Cc1ccc(C(=O)[O-])cc1)[C@H]1CCC[N@H+](C)CC1 ZINC000086834412 179349368 /nfs/dbraw/zinc/34/93/68/179349368.db2.gz XMADHEBXQRWBJD-HNNXBMFYSA-N 0 3 276.380 2.301 10 0 CEAEHN CN(Cc1ccc(C(=O)[O-])cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC000086834412 179349371 /nfs/dbraw/zinc/34/93/71/179349371.db2.gz XMADHEBXQRWBJD-HNNXBMFYSA-N 0 3 276.380 2.301 10 0 CEAEHN CCC[C@H]([NH2+][C@@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086868677 179361966 /nfs/dbraw/zinc/36/19/66/179361966.db2.gz OBRSELYIOUEZGO-OLZOCXBDSA-N 0 3 256.390 2.092 10 0 CEAEHN CC[C@@]1(C(=O)[O-])CC[N@@H+]([C@@H]2CCCN(C(C)C)CC2)C1 ZINC000086869116 179362372 /nfs/dbraw/zinc/36/23/72/179362372.db2.gz FROHWSHJGCUIFW-GDBMZVCRSA-N 0 3 282.428 2.436 10 0 CEAEHN CC[C@@]1(C(=O)[O-])CC[N@H+]([C@@H]2CCCN(C(C)C)CC2)C1 ZINC000086869116 179362375 /nfs/dbraw/zinc/36/23/75/179362375.db2.gz FROHWSHJGCUIFW-GDBMZVCRSA-N 0 3 282.428 2.436 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868592 179362481 /nfs/dbraw/zinc/36/24/81/179362481.db2.gz WSEZIYFVMMEBDH-UONOGXRCSA-N 0 3 268.401 2.048 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868592 179362483 /nfs/dbraw/zinc/36/24/83/179362483.db2.gz WSEZIYFVMMEBDH-UONOGXRCSA-N 0 3 268.401 2.048 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868608 179362955 /nfs/dbraw/zinc/36/29/55/179362955.db2.gz BJSRDSXJFUFXSQ-ZIAGYGMSSA-N 0 3 268.401 2.188 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868608 179362957 /nfs/dbraw/zinc/36/29/57/179362957.db2.gz BJSRDSXJFUFXSQ-ZIAGYGMSSA-N 0 3 268.401 2.188 10 0 CEAEHN COc1ccc(C[C@H](C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000128730625 187387059 /nfs/dbraw/zinc/38/70/59/187387059.db2.gz SYWPXINLTYAFQC-DZGCQCFKSA-N 0 3 290.407 2.036 10 0 CEAEHN Ic1ccc(C=C2CNC2)cc1 ZINC000086882179 179365571 /nfs/dbraw/zinc/36/55/71/179365571.db2.gz VTFGVKVXMMVTIQ-UHFFFAOYSA-N 0 3 271.101 2.278 10 0 CEAEHN CN[C@H](c1cncc(F)c1)[C@@H]1CSCCS1 ZINC000086985060 179373698 /nfs/dbraw/zinc/37/36/98/179373698.db2.gz KRJCJUIYFDNRNS-WDEREUQCSA-N 0 3 258.387 2.330 10 0 CEAEHN CC[C@](C)(O)CN[C@H]1CCOc2ccc(OC)cc21 ZINC000087012104 179379076 /nfs/dbraw/zinc/37/90/76/179379076.db2.gz KGOUWHBNFBXYMA-ZFWWWQNUSA-N 0 3 265.353 2.269 10 0 CEAEHN N[C@@H]1COC[C@H]1c1nc2cc(Br)ccc2o1 ZINC000087049588 179388852 /nfs/dbraw/zinc/38/88/52/179388852.db2.gz CIVFDRYTFXGTON-HTQZYQBOSA-N 0 3 283.125 2.031 10 0 CEAEHN C[C@H]1CCC[C@@](O)(CNCC(=O)Nc2ccccc2)C1 ZINC000087065153 179389917 /nfs/dbraw/zinc/38/99/17/179389917.db2.gz UQYWXIOIZWOXHR-BBRMVZONSA-N 0 3 276.380 2.156 10 0 CEAEHN Cc1ccc(NC(=O)CNC[C@]2(O)CCC[C@H](C)C2)cc1 ZINC000087064541 179390079 /nfs/dbraw/zinc/39/00/79/179390079.db2.gz MAAUJNGLBNLGNU-YOEHRIQHSA-N 0 3 290.407 2.464 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)NCC1(O)CCCCCC1 ZINC000087089318 179393743 /nfs/dbraw/zinc/39/37/43/179393743.db2.gz QKHSBZSENRLBGF-ZDUSSCGKSA-N 0 3 284.444 2.355 10 0 CEAEHN CC[C@H]1CNC[C@H](c2c(OC)cc(OC)cc2OC)O1 ZINC000087090291 179394021 /nfs/dbraw/zinc/39/40/21/179394021.db2.gz NTEWABMSCCUHBF-IINYFYTJSA-N 0 3 281.352 2.152 10 0 CEAEHN CNCc1c(C)nn(CCC[C@@H]2CCCO2)c1C ZINC000087266473 179406817 /nfs/dbraw/zinc/40/68/17/179406817.db2.gz ZDDHMPUBWQDAGG-CYBMUJFWSA-N 0 3 251.374 2.179 10 0 CEAEHN Nc1cccc([C@@H]2COCCN(Cc3ccccc3)C2)n1 ZINC000616660849 348551928 /nfs/dbraw/zinc/55/19/28/348551928.db2.gz QDABDECJILIOMV-HNNXBMFYSA-N 0 3 283.375 2.280 10 0 CEAEHN OCc1cccc([C@@H]2CNCCN2Cc2ccccc2)c1 ZINC000616636785 348543256 /nfs/dbraw/zinc/54/32/56/348543256.db2.gz YWKRJAYBTVQLPB-SFHVURJKSA-N 0 3 282.387 2.325 10 0 CEAEHN Nc1ccccc1[C@@H]1CNCCN1Cc1ccccc1 ZINC000616636825 348543283 /nfs/dbraw/zinc/54/32/83/348543283.db2.gz ZQAZCNGYRZQTQE-KRWDZBQOSA-N 0 3 267.376 2.415 10 0 CEAEHN CCCN[C@H](c1ccccc1OC)[C@@H]1COCCO1 ZINC000087858691 179503147 /nfs/dbraw/zinc/50/31/47/179503147.db2.gz PJHUOVHRFHCURJ-LSDHHAIUSA-N 0 3 265.353 2.151 10 0 CEAEHN Nc1ccc([C@@H]2CCN(Cc3ccccc3)CCO2)cn1 ZINC000616595496 348528275 /nfs/dbraw/zinc/52/82/75/348528275.db2.gz VQESZDZGXOIFEV-INIZCTEOSA-N 0 3 283.375 2.458 10 0 CEAEHN CC(C)(C)N1CCO[C@H](c2ccccc2C(N)=O)CC1 ZINC000616684082 348560236 /nfs/dbraw/zinc/56/02/36/348560236.db2.gz BQKSFQHLOOBFFL-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN Cc1ccc(CNCCn2c(C)nc(C)cc2=O)s1 ZINC000104260793 185946868 /nfs/dbraw/zinc/94/68/68/185946868.db2.gz FQWAHLVOJQFUJD-UHFFFAOYSA-N 0 3 277.393 2.020 10 0 CEAEHN CCn1nc(C)cc1Cn1ccnc1CNC(C)(C)C ZINC000089188768 179748281 /nfs/dbraw/zinc/74/82/81/179748281.db2.gz BOGPSWPKQXUVBJ-UHFFFAOYSA-N 0 3 275.400 2.344 10 0 CEAEHN CCOc1ccccc1OCCN1C[C@H](C)C[C@@H](O)C1 ZINC000401484561 233182387 /nfs/dbraw/zinc/18/23/87/233182387.db2.gz BVYZXJMZYAZHCQ-ZIAGYGMSSA-N 0 3 279.380 2.167 10 0 CEAEHN O=C(CNC[C@H]1CCCC[C@H]1CO)Nc1cccc(F)c1 ZINC000089528554 179809751 /nfs/dbraw/zinc/80/97/51/179809751.db2.gz CGYUHFHDIPBOFK-OLZOCXBDSA-N 0 3 294.370 2.153 10 0 CEAEHN CC(C)(C)n1c2ccccc2nc1[C@]1(C)COC[C@@H]1N ZINC000090571673 180007754 /nfs/dbraw/zinc/00/77/54/180007754.db2.gz QDSYTZKJJUIBQN-XJKSGUPXSA-N 0 3 273.380 2.407 10 0 CEAEHN CCCn1c2cccc(F)c2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571789 180007929 /nfs/dbraw/zinc/00/79/29/180007929.db2.gz KQODIANIGUJUGY-WFASDCNBSA-N 0 3 277.343 2.201 10 0 CEAEHN CC(C)c1ccc(NC(=O)[C@]2(C)COC[C@@H]2N)cc1 ZINC000090580634 180008798 /nfs/dbraw/zinc/00/87/98/180008798.db2.gz FCUMTLNRVWARAN-DZGCQCFKSA-N 0 3 262.353 2.112 10 0 CEAEHN CCC[C@H](NC(=O)[C@@]1(C)COC[C@@H]1N)c1ccccc1 ZINC000090587746 180010557 /nfs/dbraw/zinc/01/05/57/180010557.db2.gz LQXKIDIXKUAAAC-DZKIICNBSA-N 0 3 276.380 2.008 10 0 CEAEHN CC(C)C(=O)N1CCCSC[C@@H]1CN1CCCCC1 ZINC000090701266 180027863 /nfs/dbraw/zinc/02/78/63/180027863.db2.gz YVKZJVHBUFKHBN-AWEZNQCLSA-N 0 3 284.469 2.462 10 0 CEAEHN OCCC1(CCO)CCCN(Cc2ccccc2)C1 ZINC000090729458 180033413 /nfs/dbraw/zinc/03/34/13/180033413.db2.gz ZDHXVSJVTMNCQX-UHFFFAOYSA-N 0 3 263.381 2.034 10 0 CEAEHN COc1ccc2c(c1)CCC[C@@H]2NC[C@H](C)[S@](C)=O ZINC000090841873 180043376 /nfs/dbraw/zinc/04/33/76/180043376.db2.gz LDNAUDFVVFAQLJ-SGJUXQJHSA-N 0 3 281.421 2.429 10 0 CEAEHN C[C@H](CN[C@H]1CCCc2ccccc21)[S@](C)=O ZINC000090842548 180044370 /nfs/dbraw/zinc/04/43/70/180044370.db2.gz OPNSQTFOXDXNAR-HYSWKAIVSA-N 0 3 251.395 2.421 10 0 CEAEHN CNCc1cn(C[C@@H]2Cc3cc(C)ccc3O2)nc1C ZINC000090901918 180060372 /nfs/dbraw/zinc/06/03/72/180060372.db2.gz CWJBSWQMJRHRNQ-HNNXBMFYSA-N 0 3 271.364 2.223 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@@H]1CCCC[C@H]1O ZINC000090962551 180076918 /nfs/dbraw/zinc/07/69/18/180076918.db2.gz FIIQYXDYXLZMOV-HUUCEWRRSA-N 0 3 262.353 2.038 10 0 CEAEHN NCc1ccccc1CNC(=O)[C@@H]1Cc2ccccc21 ZINC000090985438 180080616 /nfs/dbraw/zinc/08/06/16/180080616.db2.gz IMSRUXYNRILPNF-MRXNPFEDSA-N 0 3 266.344 2.101 10 0 CEAEHN O=C(Cn1cccc1CNC1CC1)NC1CCCCC1 ZINC000091001503 180083281 /nfs/dbraw/zinc/08/32/81/180083281.db2.gz GOEKUIPPQVDJIG-UHFFFAOYSA-N 0 3 275.396 2.189 10 0 CEAEHN Cc1noc(C)c1Cn1ccnc1CNCC(C)C ZINC000091002699 180084101 /nfs/dbraw/zinc/08/41/01/180084101.db2.gz AMXXJJDVYNACIX-UHFFFAOYSA-N 0 3 262.357 2.282 10 0 CEAEHN NCc1nc(-c2nc(-c3ccccc3)n[nH]2)cs1 ZINC000090934583 180067745 /nfs/dbraw/zinc/06/77/45/180067745.db2.gz GHVUIYLRWYXTCC-UHFFFAOYSA-N 0 3 257.322 2.054 10 0 CEAEHN Cn1c(C[C@H]2CSCCN2)nc2cccc(Cl)c21 ZINC000091128605 180100391 /nfs/dbraw/zinc/10/03/91/180100391.db2.gz WHHDNICNTLJZRF-VIFPVBQESA-N 0 3 281.812 2.474 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000091134559 180103985 /nfs/dbraw/zinc/10/39/85/180103985.db2.gz AHZBVHSLVFLGEJ-MGPQQGTHSA-N 0 3 282.453 2.120 10 0 CEAEHN CN[C@H](CSC[C@@H](C)CO)c1ccc(OC)cc1 ZINC000091260827 180115941 /nfs/dbraw/zinc/11/59/41/180115941.db2.gz ZWOCZQMFLKOOHF-SMDDNHRTSA-N 0 3 269.410 2.317 10 0 CEAEHN COc1ccc([C@@H](NCCNC(=O)C2CC2)C2CC2)cc1 ZINC000091263866 180116559 /nfs/dbraw/zinc/11/65/59/180116559.db2.gz PSMGNBOZXVFBEC-INIZCTEOSA-N 0 3 288.391 2.262 10 0 CEAEHN CC[C@H]1CCCN([C@@H](CN)c2cncn2C2CC2)C1 ZINC000091276274 180119743 /nfs/dbraw/zinc/11/97/43/180119743.db2.gz CFBJBMUMHILKGL-JSGCOSHPSA-N 0 3 262.401 2.340 10 0 CEAEHN NC[C@H](c1cncn1C1CC1)N1CCc2ccccc2C1 ZINC000091276191 180120536 /nfs/dbraw/zinc/12/05/36/180120536.db2.gz WXIWXZPWKPFMSQ-MRXNPFEDSA-N 0 3 282.391 2.276 10 0 CEAEHN CC[C@H](NC(=O)C[C@H]1CSCCN1)c1ccccc1 ZINC000091290947 180122859 /nfs/dbraw/zinc/12/28/59/180122859.db2.gz GOVAGWJZIPKFCR-KBPBESRZSA-N 0 3 278.421 2.349 10 0 CEAEHN CC(C)n1c(C[C@@H]2CNCCO2)nc2c1cccc2F ZINC000091293289 180123992 /nfs/dbraw/zinc/12/39/92/180123992.db2.gz KMKCCBQNSQJMMH-LLVKDONJSA-N 0 3 277.343 2.287 10 0 CEAEHN CCn1c(C[C@H]2CNCCO2)nc2cccc(Cl)c21 ZINC000091293308 180124168 /nfs/dbraw/zinc/12/41/68/180124168.db2.gz UJTQICRYTDUPJN-JTQLQIEISA-N 0 3 279.771 2.241 10 0 CEAEHN Clc1cccc2nc(C[C@@H]3CNCCO3)sc21 ZINC000091294601 180124888 /nfs/dbraw/zinc/12/48/88/180124888.db2.gz ZCRRWBQLLINRNU-MRVPVSSYSA-N 0 3 268.769 2.481 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)C[C@@H]1CNCCO1 ZINC000091300520 180128141 /nfs/dbraw/zinc/12/81/41/180128141.db2.gz SXHCSSGYYCPQKU-LLVKDONJSA-N 0 3 298.770 2.056 10 0 CEAEHN CCNc1ccccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000091428295 180152981 /nfs/dbraw/zinc/15/29/81/180152981.db2.gz JXIPFMNILNDOLU-CYBMUJFWSA-N 0 3 275.396 2.285 10 0 CEAEHN CCCNCc1cncc(N(C)C[C@H](C)CC)n1 ZINC000091419209 180150670 /nfs/dbraw/zinc/15/06/70/180150670.db2.gz FWBJRYZKFVPTQW-GFCCVEGCSA-N 0 3 250.390 2.459 10 0 CEAEHN OC1CC(NCc2[nH]c3ccccc3c2Cl)C1 ZINC000091423823 180151170 /nfs/dbraw/zinc/15/11/70/180151170.db2.gz GHHJZJUGEVZEFZ-UHFFFAOYSA-N 0 3 250.729 2.434 10 0 CEAEHN CCCc1nccn1-c1cncc(CNC(C)C)n1 ZINC000091422538 180151379 /nfs/dbraw/zinc/15/13/79/180151379.db2.gz ZGPAVQMWXZBBBI-UHFFFAOYSA-N 0 3 259.357 2.113 10 0 CEAEHN COc1ccc(C)cc1[C@H](N)C(C)(C)N1CCOCC1 ZINC000091566393 180194010 /nfs/dbraw/zinc/19/40/10/180194010.db2.gz JFNLNMXIVUHOND-HNNXBMFYSA-N 0 3 278.396 2.114 10 0 CEAEHN CC[C@](C)(C(=O)Cc1cccnc1N)N1CCCCC1 ZINC000091608182 180204434 /nfs/dbraw/zinc/20/44/34/180204434.db2.gz PJFXVHGAYNFOMX-MRXNPFEDSA-N 0 3 275.396 2.430 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccccc1C)N1CCOCC1 ZINC000091611582 180206538 /nfs/dbraw/zinc/20/65/38/180206538.db2.gz GLCCFDJARMQWNG-HZPDHXFCSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@](C)([C@@H](O)Cc1ccc(C)cc1)N1CCOCC1 ZINC000091611328 180206826 /nfs/dbraw/zinc/20/68/26/180206826.db2.gz UFJYYANPWVCQAQ-DLBZAZTESA-N 0 3 277.408 2.399 10 0 CEAEHN CCCCCC[C@@H](C)N[C@H]1CC(=O)N(CCC)C1=O ZINC000105039894 186038715 /nfs/dbraw/zinc/03/87/15/186038715.db2.gz JWBBEWKQZBWBAS-OLZOCXBDSA-N 0 3 268.401 2.472 10 0 CEAEHN CCC(CC)(C(=O)Cc1cc(C)nn1C)N1CCCC1 ZINC000091634177 180210326 /nfs/dbraw/zinc/21/03/26/180210326.db2.gz VGPUQCPAHFBFRJ-UHFFFAOYSA-N 0 3 277.412 2.495 10 0 CEAEHN CC[C@@H](C)C[C@H](O)C1(N2CCOCC2)CCCC1 ZINC000091642609 180213925 /nfs/dbraw/zinc/21/39/25/180213925.db2.gz VHDYYFCEBUUFMH-KGLIPLIRSA-N 0 3 255.402 2.429 10 0 CEAEHN C[C@H]1CCC[C@@](C(=O)Cc2cccnc2N)(N(C)C)C1 ZINC000091650481 180216550 /nfs/dbraw/zinc/21/65/50/180216550.db2.gz ZKEAFSRRUKHHLJ-BLLLJJGKSA-N 0 3 275.396 2.286 10 0 CEAEHN CCN[C@H](c1cnc2ccccc2c1)[C@@H]1CN(C)CCO1 ZINC000091718667 180233341 /nfs/dbraw/zinc/23/33/41/180233341.db2.gz IUVUAQWRCYMGGX-DLBZAZTESA-N 0 3 285.391 2.216 10 0 CEAEHN CN[C@H](c1ccc(F)cc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720940 180235520 /nfs/dbraw/zinc/23/55/20/180235520.db2.gz AUIQFEHXSVSXGR-KCPJHIHWSA-N 0 3 282.334 2.089 10 0 CEAEHN N[C@H](c1ccc(Cl)cc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720806 180236425 /nfs/dbraw/zinc/23/64/25/180236425.db2.gz ZNZWZHFEVDJQEP-HZSPNIEDSA-N 0 3 266.772 2.203 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccc(F)cc1Cl ZINC000624235735 350239309 /nfs/dbraw/zinc/23/93/09/350239309.db2.gz ONCWQCBIQHJDAC-CKLFPEKLSA-N 0 3 273.735 2.280 10 0 CEAEHN C[C@H]1C[C@H](N[C@H]2CCOC[C@@H]2O)c2ccsc2S1 ZINC000624236927 350240587 /nfs/dbraw/zinc/24/05/87/350240587.db2.gz MUTBEKIUWVWQTH-VGDYDELISA-N 0 3 285.434 2.413 10 0 CEAEHN CN[C@H](c1cc(F)ccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721359 180238757 /nfs/dbraw/zinc/23/87/57/180238757.db2.gz HSKDOPKYWQTBRB-FVQBIDKESA-N 0 3 278.371 2.258 10 0 CEAEHN CCOc1cc(CNCCc2nc(C)no2)ccc1OC ZINC000105470399 186059550 /nfs/dbraw/zinc/05/95/50/186059550.db2.gz HFLOIKVOOAATLC-UHFFFAOYSA-N 0 3 291.351 2.118 10 0 CEAEHN CN(Cc1cncn1C1CC1)C1CCC2(CC1)OCCO2 ZINC000091853679 180273692 /nfs/dbraw/zinc/27/36/92/180273692.db2.gz RTUUJCIVCPAQLD-UHFFFAOYSA-N 0 3 291.395 2.336 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccsc2)C1 ZINC000092052690 180313244 /nfs/dbraw/zinc/31/32/44/180313244.db2.gz RHXBAVLDCGSGPK-AAEUAGOBSA-N 0 3 254.399 2.119 10 0 CEAEHN CNCc1nc(C)ccc1OCc1cccc(OC)n1 ZINC000091994407 180301475 /nfs/dbraw/zinc/30/14/75/180301475.db2.gz IUOFCSDZQXXCPD-UHFFFAOYSA-N 0 3 273.336 2.092 10 0 CEAEHN CC[NH2+]Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC)c(F)c1 ZINC000092115789 180327274 /nfs/dbraw/zinc/32/72/74/180327274.db2.gz QXOPMHMGHWYUCW-JTQLQIEISA-N 0 3 288.388 2.012 10 0 CEAEHN Cc1ncc(CNC[C@H]2CCC[C@H]2O)n1-c1ccccc1 ZINC000092129194 180330057 /nfs/dbraw/zinc/33/00/57/180330057.db2.gz BZDILXPMAPFPIB-RHSMWYFYSA-N 0 3 285.391 2.431 10 0 CEAEHN C[C@H]1CN(c2cncc(CNC(C)(C)C)n2)C[C@@H]1C ZINC000092088908 180321050 /nfs/dbraw/zinc/32/10/50/180321050.db2.gz TVDUGOCKQRQBGB-RYUDHWBXSA-N 0 3 262.401 2.457 10 0 CEAEHN COCCNCc1sc(N2C[C@H](C)[C@H](C)C2)nc1C ZINC000092089811 180321277 /nfs/dbraw/zinc/32/12/77/180321277.db2.gz XCUYUCQSUJHIQH-PHIMTYICSA-N 0 3 283.441 2.280 10 0 CEAEHN Cc1nn(C[C@H]2COc3ccccc32)c(C)c1CN ZINC000092304768 180360144 /nfs/dbraw/zinc/36/01/44/180360144.db2.gz AMAZHXGUVQPPTN-LBPRGKRZSA-N 0 3 257.337 2.135 10 0 CEAEHN COCCN1CCN(CCCOc2ccccc2)C[C@@H]1C ZINC000105832528 186075481 /nfs/dbraw/zinc/07/54/81/186075481.db2.gz COYFMUJJOCUZEX-INIZCTEOSA-N 0 3 292.423 2.108 10 0 CEAEHN CC(C)c1nc(CN2CCO[C@H](CN(C)C)C2)cs1 ZINC000105924947 186091291 /nfs/dbraw/zinc/09/12/91/186091291.db2.gz GMSIGLZDJXDJCV-CYBMUJFWSA-N 0 3 283.441 2.029 10 0 CEAEHN CCC(CC)N(CCOC)Cc1cccc(N)n1 ZINC000092369845 180370361 /nfs/dbraw/zinc/37/03/61/180370361.db2.gz QYZXVWMRVBNAMD-UHFFFAOYSA-N 0 3 251.374 2.301 10 0 CEAEHN COc1ccc2c(c1)[C@@H](O)[C@H](N1CCC(OC)CC1)CC2 ZINC000092387768 180374632 /nfs/dbraw/zinc/37/46/32/180374632.db2.gz FXJFKLDZRXRNNN-IAGOWNOFSA-N 0 3 291.391 2.154 10 0 CEAEHN CCNc1ccnc(CN(CC)[C@@H](C)COC)c1 ZINC000092418345 180380802 /nfs/dbraw/zinc/38/08/02/180380802.db2.gz JHDCUAPDXKRBOY-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN CCNc1ccnc(CN2CCCC[C@@H]2C(=O)OCC)c1 ZINC000092418246 180381045 /nfs/dbraw/zinc/38/10/45/180381045.db2.gz OFIPHYRUICWYOC-OAHLLOKOSA-N 0 3 291.395 2.431 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1cc(NC)ccn1 ZINC000092418758 180381278 /nfs/dbraw/zinc/38/12/78/180381278.db2.gz STRHBFYZCKKSQN-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN CNc1ccnc(CN2C[C@H](C)S[C@@H](C)C2)c1 ZINC000092419295 180382377 /nfs/dbraw/zinc/38/23/77/180382377.db2.gz NPSOWPKMSOZBMI-QWRGUYRKSA-N 0 3 251.399 2.449 10 0 CEAEHN CCN[C@H]1c2cc(OC)ccc2CC[C@@H]1OCCOC ZINC000092386360 180373754 /nfs/dbraw/zinc/37/37/54/180373754.db2.gz KRIPJHZQNUWLAB-HOTGVXAUSA-N 0 3 279.380 2.324 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000107392803 186173409 /nfs/dbraw/zinc/17/34/09/186173409.db2.gz QSCBRGNYIFISLY-GXTWGEPZSA-N 0 3 261.369 2.093 10 0 CEAEHN COC(=O)c1ccc(Cl)cc1NC(=O)CNC(C)(C)C ZINC000092460654 180389610 /nfs/dbraw/zinc/38/96/10/180389610.db2.gz WCEONFVMWMWREA-UHFFFAOYSA-N 0 3 298.770 2.453 10 0 CEAEHN C[C@@H]1CCCC[C@H]1NC(=S)N1CCC[C@@H]1CN(C)C ZINC000109670920 186268671 /nfs/dbraw/zinc/26/86/71/186268671.db2.gz XKULJINOMANIGW-MGPQQGTHSA-N 0 3 283.485 2.466 10 0 CEAEHN Nc1cccc(F)c1CN1CCN(C2CCCC2)CC1 ZINC000109427811 186252046 /nfs/dbraw/zinc/25/20/46/186252046.db2.gz HHLMNGZKETUCDA-UHFFFAOYSA-N 0 3 277.387 2.468 10 0 CEAEHN O=C(c1ccc([O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110325675 186291682 /nfs/dbraw/zinc/29/16/82/186291682.db2.gz MQNCUMOZSFIMPV-AWEZNQCLSA-N 0 3 274.364 2.093 10 0 CEAEHN CCOc1cc(N(C)C2CCN(C)CC2)c(N)cc1F ZINC000110632329 186307414 /nfs/dbraw/zinc/30/74/14/186307414.db2.gz BTAAAQDZZPENJM-UHFFFAOYSA-N 0 3 281.375 2.337 10 0 CEAEHN CC(C)Oc1cc(N2CCCN(C)CC2)c(N)cc1F ZINC000110635846 186307431 /nfs/dbraw/zinc/30/74/31/186307431.db2.gz QFEWNBPFRWGMBV-UHFFFAOYSA-N 0 3 281.375 2.337 10 0 CEAEHN CN(Cc1cccnc1C(N)=S)CC1CCCC1 ZINC000110836872 186328765 /nfs/dbraw/zinc/32/87/65/186328765.db2.gz FQXXRUQGDAXDNU-UHFFFAOYSA-N 0 3 263.410 2.338 10 0 CEAEHN CCc1ccc(S(=O)(=O)N(CC)[C@@H]2CCCNC2)cc1 ZINC000110941786 186334605 /nfs/dbraw/zinc/33/46/05/186334605.db2.gz GBHYAOXTEFNIDG-CQSZACIVSA-N 0 3 296.436 2.012 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1OCC(=O)N1CCCC1 ZINC000110960372 186336236 /nfs/dbraw/zinc/33/62/36/186336236.db2.gz PZMPKXWEKLYHHM-CYBMUJFWSA-N 0 3 276.380 2.277 10 0 CEAEHN CSc1ccc(O[C@@H](CN)c2cnn(C)c2)cc1 ZINC000110981357 186338574 /nfs/dbraw/zinc/33/85/74/186338574.db2.gz CJUNFHHIAVKCAB-ZDUSSCGKSA-N 0 3 263.366 2.221 10 0 CEAEHN Cc1ccccc1[C@@H](O)CCN1CCN(C)C(C)(C)C1 ZINC000110748214 186321144 /nfs/dbraw/zinc/32/11/44/186321144.db2.gz DEZJVPBPQUCZHY-INIZCTEOSA-N 0 3 276.424 2.445 10 0 CEAEHN C[C@@H]1CN(c2nc(C(C)(C)C)c(CN)s2)CCN1C ZINC000110760001 186322454 /nfs/dbraw/zinc/32/24/54/186322454.db2.gz MCTPDLUAOZRNMJ-SNVBAGLBSA-N 0 3 282.457 2.040 10 0 CEAEHN CCc1cc2c(nc(C[C@H]3CCCO3)nc2NN)s1 ZINC000110774287 186323623 /nfs/dbraw/zinc/32/36/23/186323623.db2.gz COEQUERUAUFAEB-MRVPVSSYSA-N 0 3 278.381 2.261 10 0 CEAEHN CN[C@H](C)c1ccc(SCCS(C)(=O)=O)c(F)c1 ZINC000111005128 186342522 /nfs/dbraw/zinc/34/25/22/186342522.db2.gz GSHCVRSQRVPWKM-SECBINFHSA-N 0 3 291.413 2.243 10 0 CEAEHN CN(C[C@H]1CCCOC1)[C@@H](CN)c1c(F)cccc1F ZINC000111157977 186361770 /nfs/dbraw/zinc/36/17/70/186361770.db2.gz JTYOHPYEEAUDQC-RISCZKNCSA-N 0 3 284.350 2.323 10 0 CEAEHN CCCOCCOc1nc2c(cc1CN)CCCC2 ZINC000111105254 186352565 /nfs/dbraw/zinc/35/25/65/186352565.db2.gz GWKGMNKGOXCSAX-UHFFFAOYSA-N 0 3 264.369 2.225 10 0 CEAEHN CCCOCCOC(=O)C[C@@H](N)c1ccccc1 ZINC000111106293 186352998 /nfs/dbraw/zinc/35/29/98/186352998.db2.gz UQEPKPRTWRLNGO-CYBMUJFWSA-N 0 3 251.326 2.046 10 0 CEAEHN CCCOCCOC[C@@H](N)c1ccc(OC)cc1 ZINC000111108111 186353692 /nfs/dbraw/zinc/35/36/92/186353692.db2.gz MJAFXJHSKVWEDA-CQSZACIVSA-N 0 3 253.342 2.138 10 0 CEAEHN CCCOCCOC[C@H](N)c1cc(C)ccc1OC ZINC000111108546 186354039 /nfs/dbraw/zinc/35/40/39/186354039.db2.gz ZDZAHLMIPNGEOH-AWEZNQCLSA-N 0 3 267.369 2.447 10 0 CEAEHN CCOCCN(CC)C[C@@H](N)c1ccc(C)cc1 ZINC000111118222 186355607 /nfs/dbraw/zinc/35/56/07/186355607.db2.gz NOLQTRGIDWDZLG-OAHLLOKOSA-N 0 3 250.386 2.353 10 0 CEAEHN CC(C)c1ccc([C@H](O)CN(C)CCN(C)C)cc1 ZINC000111143150 186358496 /nfs/dbraw/zinc/35/84/96/186358496.db2.gz MEJGNCJZSOJXGQ-MRXNPFEDSA-N 0 3 264.413 2.337 10 0 CEAEHN CNCc1cc(F)ccc1N(C)C[C@@H]1CCCOC1 ZINC000111166904 186364044 /nfs/dbraw/zinc/36/40/44/186364044.db2.gz ZHYFQXLYTODVER-LBPRGKRZSA-N 0 3 266.360 2.408 10 0 CEAEHN C[C@@H](NC(=O)c1ccc(CN)cn1)c1ccccc1 ZINC000111281068 186387814 /nfs/dbraw/zinc/38/78/14/186387814.db2.gz YKRHYBDPTGIQIY-LLVKDONJSA-N 0 3 255.321 2.031 10 0 CEAEHN CC(C)c1c(Cl)ncnc1N[C@@H]1CCN(C)C1 ZINC000111297333 186393023 /nfs/dbraw/zinc/39/30/23/186393023.db2.gz PMSPKGHGWQWCEO-SECBINFHSA-N 0 3 254.765 2.369 10 0 CEAEHN CC(C)c1nc(-c2cccnc2)cc(N2CCNCC2)n1 ZINC000070451677 363083949 /nfs/dbraw/zinc/08/39/49/363083949.db2.gz FQBOWHIEVPHEHF-UHFFFAOYSA-N 0 3 283.379 2.072 10 0 CEAEHN COCc1cc(N2CCNCC2)nc(-c2ccc(C)cc2)n1 ZINC000070451611 363084140 /nfs/dbraw/zinc/08/41/40/363084140.db2.gz ZZJDKAHJXLEMFR-UHFFFAOYSA-N 0 3 298.390 2.008 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(F)cn2)C1 ZINC000122309564 187025754 /nfs/dbraw/zinc/02/57/54/187025754.db2.gz FKZFFZDXABVUAP-PWSUYJOCSA-N 0 3 280.347 2.071 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1nc(C)sc1C ZINC000124193407 187126200 /nfs/dbraw/zinc/12/62/00/187126200.db2.gz YYFWIHGTOAICMS-CYBMUJFWSA-N 0 3 295.452 2.245 10 0 CEAEHN C[C@H](CN[C@@H](C)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000123401422 187089469 /nfs/dbraw/zinc/08/94/69/187089469.db2.gz UGEWEMIKKHLVHQ-NEPJUHHUSA-N 0 3 284.350 2.336 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000123600246 187100448 /nfs/dbraw/zinc/10/04/48/187100448.db2.gz BRFHINCBFGHCRC-OAHLLOKOSA-N 0 3 297.830 2.014 10 0 CEAEHN Cc1ccc(F)c(C(=O)N(C)C[C@H]2CCN(C)C2)c1 ZINC000071189351 363109185 /nfs/dbraw/zinc/10/91/85/363109185.db2.gz LRVMOZFUFMZWED-LBPRGKRZSA-N 0 3 264.344 2.158 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250012840 539963702 /nfs/dbraw/zinc/96/37/02/539963702.db2.gz ISSSWFZWXACICU-CLLJXQQHSA-N 0 3 256.349 2.317 10 0 CEAEHN CCc1onc(C)c1NC(=O)N(C)C[C@H]1CCCN1CC ZINC000154204856 188129263 /nfs/dbraw/zinc/12/92/63/188129263.db2.gz NMAONWLYFQPDFP-GFCCVEGCSA-N 0 3 294.399 2.493 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000158684680 188389013 /nfs/dbraw/zinc/38/90/13/188389013.db2.gz FKICXNHAJRSQQV-ZDUSSCGKSA-N 0 3 285.347 2.118 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)ccn2)C1 ZINC000158867824 188397690 /nfs/dbraw/zinc/39/76/90/188397690.db2.gz MTCBLNHBHWPFTH-MFKMUULPSA-N 0 3 281.787 2.194 10 0 CEAEHN Cc1csc([C@@H]2CN(CCN3CCCCC3)CCO2)n1 ZINC000132254066 366129323 /nfs/dbraw/zinc/12/93/23/366129323.db2.gz KMQVYLIWMMZJNQ-AWEZNQCLSA-N 0 3 295.452 2.311 10 0 CEAEHN C[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)C(C)(C)C ZINC000074201399 363309230 /nfs/dbraw/zinc/30/92/30/363309230.db2.gz UAEFKSCMFIIOFR-ZIAGYGMSSA-N 0 3 299.459 2.173 10 0 CEAEHN CC(=O)N[C@H]1CCCN(CCSc2ccccc2)C1 ZINC000074350303 363327963 /nfs/dbraw/zinc/32/79/63/363327963.db2.gz GABYMFUEXYZWOY-AWEZNQCLSA-N 0 3 278.421 2.379 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cncs2)=C[C@@H](N)C1 ZINC000675077562 540118574 /nfs/dbraw/zinc/11/85/74/540118574.db2.gz GCQOVOXRDGAXST-SNVBAGLBSA-N 0 3 281.381 2.105 10 0 CEAEHN CCN(CC)c1ncc(CN[C@H]2CCO[C@@H]2C)s1 ZINC000134246090 366302830 /nfs/dbraw/zinc/30/28/30/366302830.db2.gz HGIHNUWONCEVLY-PWSUYJOCSA-N 0 3 269.414 2.256 10 0 CEAEHN CCc1cc(I)cc(OC)c1CN ZINC000575725190 366347604 /nfs/dbraw/zinc/34/76/04/366347604.db2.gz HRWNESBZOMTIRG-UHFFFAOYSA-N 0 3 291.132 2.321 10 0 CEAEHN COC(=O)CCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134824812 366362825 /nfs/dbraw/zinc/36/28/25/366362825.db2.gz VOVMOUZUSRUPBT-AWEZNQCLSA-N 0 3 293.338 2.426 10 0 CEAEHN CCCCOC[C@H](O)CN[C@H](C)c1c(C)noc1C ZINC000227894200 538769026 /nfs/dbraw/zinc/76/90/26/538769026.db2.gz PVGCPGWXNJPHEH-ZWNOBZJWSA-N 0 3 270.373 2.120 10 0 CEAEHN CC[C@@H](NC[C@H]1CN(C)CCO1)c1ccsc1 ZINC000294420586 199033122 /nfs/dbraw/zinc/03/31/22/199033122.db2.gz OICAFRYQSGFHMW-QWHCGFSZSA-N 0 3 254.399 2.119 10 0 CEAEHN Cc1cc(CNCC2C[C@@H](C)O[C@H](C)C2)nn1C ZINC000414427877 236359751 /nfs/dbraw/zinc/35/97/51/236359751.db2.gz AFJOACPEZBSGPS-VXGBXAGGSA-N 0 3 251.374 2.022 10 0 CEAEHN CCNC(=O)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000135709183 366470208 /nfs/dbraw/zinc/47/02/08/366470208.db2.gz VYTVDLFTSPWYML-VIFPVBQESA-N 0 3 256.296 2.142 10 0 CEAEHN COC[C@H](N[C@H](C)C(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000136666720 366519532 /nfs/dbraw/zinc/51/95/32/366519532.db2.gz RVOXUWTWKXEZQE-ZENOOKHLSA-N 0 3 290.407 2.267 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000312695864 540460733 /nfs/dbraw/zinc/46/07/33/540460733.db2.gz FOVOLZHNXNVTGC-ZSBIGDGJSA-N 0 3 272.348 2.153 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc(C)c(OC)c1)N(C)C ZINC000138220698 366552220 /nfs/dbraw/zinc/55/22/20/366552220.db2.gz GFPTUFWREGBTFI-AWEZNQCLSA-N 0 3 278.396 2.350 10 0 CEAEHN CCN1CCC[C@H](Nc2nc(C(=O)OC)c(C)s2)C1 ZINC000137241660 366538469 /nfs/dbraw/zinc/53/84/69/366538469.db2.gz VHPZVPAZZCPUOB-JTQLQIEISA-N 0 3 283.397 2.134 10 0 CEAEHN COc1ccc(F)c(NC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000151904696 366673455 /nfs/dbraw/zinc/67/34/55/366673455.db2.gz IAQASPIIYIYUJT-JTQLQIEISA-N 0 3 281.331 2.002 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC000177030930 189022614 /nfs/dbraw/zinc/02/26/14/189022614.db2.gz YAMNXNDHKFUJNT-CYBMUJFWSA-N 0 3 264.369 2.453 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccccc1COC ZINC000177040022 189023280 /nfs/dbraw/zinc/02/32/80/189023280.db2.gz VPKUDLCDXVSVMA-HNNXBMFYSA-N 0 3 290.407 2.389 10 0 CEAEHN CSC[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000152019919 366683002 /nfs/dbraw/zinc/68/30/02/366683002.db2.gz CAPQIVSKQSNJQC-GXTWGEPZSA-N 0 3 295.452 2.340 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1scnc1C)N(C)C ZINC000179251581 189180583 /nfs/dbraw/zinc/18/05/83/189180583.db2.gz HCDXLFAJTOJIGX-NSHDSACASA-N 0 3 269.414 2.140 10 0 CEAEHN CC(C)c1nnc2n1C[C@@H](N[C@H](C)c1ccccn1)CC2 ZINC000180505031 189259428 /nfs/dbraw/zinc/25/94/28/189259428.db2.gz CDGCGAQYDQBHPM-OLZOCXBDSA-N 0 3 285.395 2.462 10 0 CEAEHN CCC(CC)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000153911067 366743621 /nfs/dbraw/zinc/74/36/21/366743621.db2.gz NBHGVSMVIBIFNU-CQSZACIVSA-N 0 3 251.374 2.020 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@](C)(CC)c1nccs1 ZINC000236991768 370673864 /nfs/dbraw/zinc/67/38/64/370673864.db2.gz OMMPQGDUHSSAMU-SKDRFNHKSA-N 0 3 255.387 2.012 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000082285412 363760603 /nfs/dbraw/zinc/76/06/03/363760603.db2.gz WIAHCZBAWGYPOQ-GFCCVEGCSA-N 0 3 252.745 2.116 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000182921216 189339666 /nfs/dbraw/zinc/33/96/66/189339666.db2.gz TXTPJFRGTPMIFQ-KWQFWETISA-N 0 3 256.296 2.269 10 0 CEAEHN COC[C@H](O)CCNc1ccnc2c(C)cccc12 ZINC000301869179 201239559 /nfs/dbraw/zinc/23/95/59/201239559.db2.gz GZCWCLCKZOYEEH-GFCCVEGCSA-N 0 3 260.337 2.353 10 0 CEAEHN CN(C)C1(COc2ccc(Br)nc2)CC1 ZINC000029126774 361680723 /nfs/dbraw/zinc/68/07/23/361680723.db2.gz PFGSFYLOWLHVNK-UHFFFAOYSA-N 0 3 271.158 2.317 10 0 CEAEHN CN(C)C1(COc2cncc(Br)c2)CC1 ZINC000029126775 361680889 /nfs/dbraw/zinc/68/08/89/361680889.db2.gz RIZABHXFZNUVNS-UHFFFAOYSA-N 0 3 271.158 2.317 10 0 in-vitro CEAEHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(CC)cc1 ZINC000087955054 363873132 /nfs/dbraw/zinc/87/31/32/363873132.db2.gz CUDZOFIZBJJJNX-VXGBXAGGSA-N 0 3 291.395 2.134 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000089169435 363945662 /nfs/dbraw/zinc/94/56/62/363945662.db2.gz DRFJCUFYWMXZEK-BBRMVZONSA-N 0 3 271.364 2.123 10 0 CEAEHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1ccc(F)cn1 ZINC000092751291 364104678 /nfs/dbraw/zinc/10/46/78/364104678.db2.gz VLWPTGQMPXMCEE-WDMOLILDSA-N 0 3 252.333 2.422 10 0 CEAEHN Cc1nn(C)cc1CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000092813039 364109500 /nfs/dbraw/zinc/10/95/00/364109500.db2.gz BWIHZTLOGKCUMK-HNNXBMFYSA-N 0 3 299.422 2.366 10 0 CEAEHN CNc1ccccc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000094462960 364275315 /nfs/dbraw/zinc/27/53/15/364275315.db2.gz FBZNIZLZVAVEMG-QWHCGFSZSA-N 0 3 273.380 2.037 10 0 CEAEHN C[C@@H]1CNCCN1c1nc2ccccc2nc1Cl ZINC000095069583 364329954 /nfs/dbraw/zinc/32/99/54/364329954.db2.gz YGXLIFXMOYKPAJ-SECBINFHSA-N 0 3 262.744 2.081 10 0 CEAEHN CCNC(=O)CCN[C@@H](C)c1ccc(C)c(F)c1 ZINC000094955649 364316340 /nfs/dbraw/zinc/31/63/40/364316340.db2.gz VUJLOQNNPIIFEF-NSHDSACASA-N 0 3 252.333 2.311 10 0 CEAEHN Fc1cccc(CN[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000105802115 364703085 /nfs/dbraw/zinc/70/30/85/364703085.db2.gz AOXCKULDFAAURF-OAHLLOKOSA-N 0 3 286.354 2.374 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC000112046804 364770239 /nfs/dbraw/zinc/77/02/39/364770239.db2.gz HBUGSVMYZFGPCI-GOEBONIOSA-N 0 3 274.408 2.466 10 0 CEAEHN Cc1cccc(OCC(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000113233709 364878320 /nfs/dbraw/zinc/87/83/20/364878320.db2.gz KROAIQUXAXTZMZ-GJZGRUSLSA-N 0 3 288.391 2.069 10 0 CEAEHN CCC[C@@H](C(=O)OCC)N1CCC(c2ccn[nH]2)CC1 ZINC000114802479 364966593 /nfs/dbraw/zinc/96/65/93/364966593.db2.gz XAXRLVRPLVAOBJ-AWEZNQCLSA-N 0 3 279.384 2.321 10 0 CEAEHN COC(=O)c1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116313574 365049036 /nfs/dbraw/zinc/04/90/36/365049036.db2.gz ZBSBGYQHDSTUSY-HNNXBMFYSA-N 0 3 299.374 2.196 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cncc(F)c1 ZINC000335867480 365092772 /nfs/dbraw/zinc/09/27/72/365092772.db2.gz ZODANAORFPIPPC-IUODEOHRSA-N 0 3 263.360 2.279 10 0 CEAEHN CN(C)C[C@@H]1CN(CCSc2ccccc2)CCO1 ZINC000117880777 365130301 /nfs/dbraw/zinc/13/03/01/365130301.db2.gz RPQHTKWEPHBYOQ-CQSZACIVSA-N 0 3 280.437 2.041 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC000119165774 365226867 /nfs/dbraw/zinc/22/68/67/365226867.db2.gz VJWWBUHZHBHBOA-MJBXVCDLSA-N 0 3 252.402 2.413 10 0 CEAEHN Cc1nc(C)n(C[C@@H]2CCCN(CCOCC3CC3)C2)n1 ZINC000119242902 365241544 /nfs/dbraw/zinc/24/15/44/365241544.db2.gz QCEIMRJYEZJGRF-MRXNPFEDSA-N 0 3 292.427 2.034 10 0 CEAEHN CCC1(CN2CCO[C@H]3CCC[C@@H]32)CCOCC1 ZINC000335979120 365246995 /nfs/dbraw/zinc/24/69/95/365246995.db2.gz MBZWPNDVABBMFS-KBPBESRZSA-N 0 3 253.386 2.447 10 0 CEAEHN CC[C@@H]1CN(Cc2ccccc2OC)CCN1CCOC ZINC000120961667 365504308 /nfs/dbraw/zinc/50/43/08/365504308.db2.gz UYGALPSMEWWFMR-MRXNPFEDSA-N 0 3 292.423 2.238 10 0 CEAEHN CCc1nn(C)c(Cl)c1CN1CCN2CCCC[C@H]2C1 ZINC000245552003 370837615 /nfs/dbraw/zinc/83/76/15/370837615.db2.gz CIHRWQIPZGHNPF-LBPRGKRZSA-N 0 3 296.846 2.306 10 0 CEAEHN c1nn2ccccc2c1CN1CCN2CCCC[C@H]2C1 ZINC000245560222 370839868 /nfs/dbraw/zinc/83/98/68/370839868.db2.gz MQGKAAAMJPEREK-HNNXBMFYSA-N 0 3 270.380 2.004 10 0 CEAEHN COc1csc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000245425053 370818707 /nfs/dbraw/zinc/81/87/07/370818707.db2.gz DKHZXSZQLXIFHV-MNOVXSKESA-N 0 3 280.393 2.065 10 0 CEAEHN CO[C@H](C)c1nc(CN2CCN3CCC[C@H]3C2)cs1 ZINC000245471179 370825194 /nfs/dbraw/zinc/82/51/94/370825194.db2.gz NPKFHWDZTMYHAF-YPMHNXCESA-N 0 3 281.425 2.131 10 0 CEAEHN CC[C@H](C(=O)N1CCC[C@H](c2nc(C)cs2)C1)N(C)C ZINC000163788163 367264625 /nfs/dbraw/zinc/26/46/25/367264625.db2.gz BXEQNENAKLJVEC-QWHCGFSZSA-N 0 3 295.452 2.498 10 0 CEAEHN COc1cc(F)ccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171075659 367471597 /nfs/dbraw/zinc/47/15/97/367471597.db2.gz VCKCPCITPHSTKY-LLVKDONJSA-N 0 3 281.331 2.002 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)cc1F ZINC000170861235 367432641 /nfs/dbraw/zinc/43/26/41/367432641.db2.gz BDJRIFAOFFEYMM-PWSUYJOCSA-N 0 3 297.349 2.371 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000170856355 367433026 /nfs/dbraw/zinc/43/30/26/367433026.db2.gz ZTQUGALULGSLHL-SNVBAGLBSA-N 0 3 284.306 2.064 10 0 CEAEHN CCc1sc(C(=O)N2CC[C@@H](N(C)C)C2)cc1C ZINC000170858817 367433202 /nfs/dbraw/zinc/43/32/02/367433202.db2.gz QWZLBOCNWAIVMU-LLVKDONJSA-N 0 3 266.410 2.395 10 0 CEAEHN C[C@H](SCc1ccccc1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170865530 367436626 /nfs/dbraw/zinc/43/66/26/367436626.db2.gz AJCUFXMBARTXED-ZFWWWQNUSA-N 0 3 292.448 2.471 10 0 CEAEHN Cc1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)s1 ZINC000245715939 370863404 /nfs/dbraw/zinc/86/34/04/370863404.db2.gz GVNTWCOVZWAKGH-WFASDCNBSA-N 0 3 280.437 2.209 10 0 CEAEHN CC(C)N(C)CC(=O)N[C@@H](C)COCc1ccccc1 ZINC000172957676 367847500 /nfs/dbraw/zinc/84/75/00/367847500.db2.gz RXVKGOQNMQMWEH-AWEZNQCLSA-N 0 3 278.396 2.048 10 0 CEAEHN COC[C@@H](C)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000173691765 367934152 /nfs/dbraw/zinc/93/41/52/367934152.db2.gz GWWFZLHLWBJQMY-KGLIPLIRSA-N 0 3 298.452 2.088 10 0 CEAEHN CC(C)OC(=O)CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000173778820 367943703 /nfs/dbraw/zinc/94/37/03/367943703.db2.gz IOAPRLJPKBDOEH-AWEZNQCLSA-N 0 3 291.395 2.157 10 0 CEAEHN CC(=O)c1ccccc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000174850142 368072155 /nfs/dbraw/zinc/07/21/55/368072155.db2.gz PSNBAGHQIJAYRT-GXTWGEPZSA-N 0 3 286.375 2.198 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000174988895 368085746 /nfs/dbraw/zinc/08/57/46/368085746.db2.gz MQHZDINPKHAAIK-CHWSQXEVSA-N 0 3 293.798 2.434 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1nc(C)cs1 ZINC000176257175 368217006 /nfs/dbraw/zinc/21/70/06/368217006.db2.gz QQPPFVLGXDQQRS-NSHDSACASA-N 0 3 282.413 2.400 10 0 CEAEHN CCN(C)C(=O)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC000181634429 368477167 /nfs/dbraw/zinc/47/71/67/368477167.db2.gz XBJAQCDRMXSUHF-SNVBAGLBSA-N 0 3 270.323 2.484 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCCOC(C)C ZINC000182282414 368546499 /nfs/dbraw/zinc/54/64/99/368546499.db2.gz JXGRIBOCVPWJCK-CQSZACIVSA-N 0 3 272.433 2.284 10 0 CEAEHN COC(=O)c1sccc1CN1CCN2CCCC[C@H]2C1 ZINC000246240165 370933672 /nfs/dbraw/zinc/93/36/72/370933672.db2.gz NWFNMLCEUQUKNX-ZDUSSCGKSA-N 0 3 294.420 2.205 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2ccncc2)C12CCOCC2 ZINC000185662521 368838541 /nfs/dbraw/zinc/83/85/41/368838541.db2.gz CCXWXSXECSWMLD-CABCVRRESA-N 0 3 276.380 2.145 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2ccccn2)C12CCOCC2 ZINC000186197948 368935549 /nfs/dbraw/zinc/93/55/49/368935549.db2.gz GYIOCZKNTPUKQJ-CABCVRRESA-N 0 3 276.380 2.145 10 0 CEAEHN Cc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)c(C)n1 ZINC000187049489 369092252 /nfs/dbraw/zinc/09/22/52/369092252.db2.gz JSNIXIRBBBCNRX-OAHLLOKOSA-N 0 3 270.380 2.421 10 0 CEAEHN Cc1ccc(N2CCCN([C@H](C)c3ccccn3)CC2)nn1 ZINC000246385188 370953477 /nfs/dbraw/zinc/95/34/77/370953477.db2.gz PCVUZALVKOEDLO-OAHLLOKOSA-N 0 3 297.406 2.453 10 0 CEAEHN C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1N1CCOCC1 ZINC000246480361 370967178 /nfs/dbraw/zinc/96/71/78/370967178.db2.gz OQLWJOLALBLTJD-CZUORRHYSA-N 0 3 294.826 2.493 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000246626002 370986509 /nfs/dbraw/zinc/98/65/09/370986509.db2.gz SJCFMKBZLVQBTP-VDERGJSUSA-N 0 3 287.407 2.357 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1c[nH]nc1C(C)C ZINC000193665803 369969572 /nfs/dbraw/zinc/96/95/72/369969572.db2.gz YSSOWFVRZFKLJI-GFCCVEGCSA-N 0 3 278.400 2.089 10 0 CEAEHN COc1cccc([C@H](C)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195337091 370125487 /nfs/dbraw/zinc/12/54/87/370125487.db2.gz LSHGKBGHSBBWMB-DZGCQCFKSA-N 0 3 288.391 2.105 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1cc(F)c(F)cc1F ZINC000225290632 370288236 /nfs/dbraw/zinc/28/82/36/370288236.db2.gz POVFXWXEFQZPCJ-AMIZOPFISA-N 0 3 259.271 2.355 10 0 CEAEHN Cc1c(CNCCSCC(F)(F)F)cnn1C ZINC000354290223 370300941 /nfs/dbraw/zinc/30/09/41/370300941.db2.gz SJLNJAKNBQRXQO-UHFFFAOYSA-N 0 3 267.320 2.114 10 0 CEAEHN CC(C)c1oc(NC(=O)c2ccc(Cl)cc2)nc1O ZINC000227173938 370363908 /nfs/dbraw/zinc/36/39/08/370363908.db2.gz XHKAKHCIYLFTTG-JTQLQIEISA-N 0 3 280.711 2.007 10 0 CEAEHN CC(C)C1OC(NC(=O)c2ccc(Cl)cc2)=NC1=O ZINC000227173938 370363915 /nfs/dbraw/zinc/36/39/15/370363915.db2.gz XHKAKHCIYLFTTG-JTQLQIEISA-N 0 3 280.711 2.007 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1csc(C2CC2)n1 ZINC000247025562 371048416 /nfs/dbraw/zinc/04/84/16/371048416.db2.gz GEPFJSZBEWOPHS-PWSUYJOCSA-N 0 3 291.420 2.329 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc2c(c1)CCC2 ZINC000246829271 371016652 /nfs/dbraw/zinc/01/66/52/371016652.db2.gz CSDYJENRQAEZBY-GUYCJALGSA-N 0 3 284.403 2.484 10 0 CEAEHN COC[C@H](C)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247354552 371097964 /nfs/dbraw/zinc/09/79/64/371097964.db2.gz GWWFZLHLWBJQMY-UONOGXRCSA-N 0 3 298.452 2.088 10 0 CEAEHN c1cc(-c2noc(CN3CCN4CCC[C@H]4C3)n2)cs1 ZINC000247127803 371068482 /nfs/dbraw/zinc/06/84/82/371068482.db2.gz KEQVNRHUECIJGO-LBPRGKRZSA-N 0 3 290.392 2.078 10 0 CEAEHN Cc1ccc(NC(=O)CN2CCN3CCC[C@H]3C2)c(C)c1 ZINC000247206797 371076674 /nfs/dbraw/zinc/07/66/74/371076674.db2.gz PKHUCKHIKHINDG-HNNXBMFYSA-N 0 3 287.407 2.022 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000247466537 371112165 /nfs/dbraw/zinc/11/21/65/371112165.db2.gz RNAFKOCZRJHQMH-KFWWJZLASA-N 0 3 264.413 2.413 10 0 CEAEHN COc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000247476328 371113255 /nfs/dbraw/zinc/11/32/55/371113255.db2.gz VRUCMJHVIYDFLZ-SWLSCSKDSA-N 0 3 276.380 2.154 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)N(C)Cc1ccccc1 ZINC000248421081 371190794 /nfs/dbraw/zinc/19/07/94/371190794.db2.gz AOPVHQLPFZDRLY-HOCLYGCPSA-N 0 3 287.407 2.407 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC000248465416 371198708 /nfs/dbraw/zinc/19/87/08/371198708.db2.gz ZGDJIOGWNQBYKX-RISCZKNCSA-N 0 3 292.427 2.073 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000248852463 371255611 /nfs/dbraw/zinc/25/56/11/371255611.db2.gz HQDRZBDKGISHRK-SEBNEYGDSA-N 0 3 282.428 2.037 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000249096943 371292681 /nfs/dbraw/zinc/29/26/81/371292681.db2.gz UDTNFGGMSMKECS-OAGGEKHMSA-N 0 3 293.407 2.282 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H]1CC(C)(C)CO1 ZINC000639493467 371359028 /nfs/dbraw/zinc/35/90/28/371359028.db2.gz ZEWIFBSJNLFAJL-KFWWJZLASA-N 0 3 266.429 2.360 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000249760061 371359983 /nfs/dbraw/zinc/35/99/83/371359983.db2.gz KWZOLOKQLWOTHB-CABCVRRESA-N 0 3 287.407 2.110 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCC(=O)OC(C)(C)C ZINC000252892865 371488601 /nfs/dbraw/zinc/48/86/01/371488601.db2.gz OVAZRVCOITZEIH-KBPBESRZSA-N 0 3 282.428 2.277 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)CC[S@](C)=O)c1C ZINC000252732385 371474505 /nfs/dbraw/zinc/47/45/05/371474505.db2.gz UWONXLYTOYAMIZ-FDMGOTLNSA-N 0 3 285.457 2.328 10 0 CEAEHN COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(C)c(F)c1 ZINC000255003821 371546810 /nfs/dbraw/zinc/54/68/10/371546810.db2.gz BGDRSBWHWDRRJM-QWHCGFSZSA-N 0 3 265.328 2.342 10 0 CEAEHN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H](N)C1CCOCC1 ZINC000261604775 371675912 /nfs/dbraw/zinc/67/59/12/371675912.db2.gz ALDWTEILZICRKO-XEZPLFJOSA-N 0 3 290.407 2.049 10 0 CEAEHN Cc1cnc(NC[C@@H]2NCCc3ccccc32)nc1 ZINC000261580829 371661388 /nfs/dbraw/zinc/66/13/88/371661388.db2.gz FPFHASNJIXANPR-AWEZNQCLSA-N 0 3 254.337 2.084 10 0 CEAEHN COc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261862726 371755327 /nfs/dbraw/zinc/75/53/27/371755327.db2.gz CIHBGTPRUUHIIE-ARFHVFGLSA-N 0 3 276.380 2.264 10 0 CEAEHN CN(CCC1CCCCC1)C(=O)[C@H](N)C1CCOCC1 ZINC000261904567 371767003 /nfs/dbraw/zinc/76/70/03/371767003.db2.gz WWNPODPTAXWAAB-OAHLLOKOSA-N 0 3 282.428 2.169 10 0 CEAEHN Cc1cc2cc(NC(=O)[C@H](N)C3CCOCC3)ccc2[nH]1 ZINC000261920242 371771197 /nfs/dbraw/zinc/77/11/97/371771197.db2.gz YOAAZKFSYYCXTI-OAHLLOKOSA-N 0 3 287.363 2.169 10 0 CEAEHN CCCC[C@@H](CC)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261951789 371782718 /nfs/dbraw/zinc/78/27/18/371782718.db2.gz KDZHEQLQIHURHM-OCCSQVGLSA-N 0 3 270.417 2.073 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000263524257 371941106 /nfs/dbraw/zinc/94/11/06/371941106.db2.gz SNRSGZRAJBCBOL-MMFDQKDXSA-N 0 3 282.428 2.338 10 0 CEAEHN CC1CC(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000573834181 299461068 /nfs/dbraw/zinc/46/10/68/299461068.db2.gz PAJPEYHURWWLKH-ABIUDSBCSA-N 0 3 258.365 2.036 10 0 CEAEHN Cc1nn(C)cc1[C@@H](C)N[C@@H](CO)C1CCCCC1 ZINC000386092744 375250937 /nfs/dbraw/zinc/25/09/37/375250937.db2.gz GJUCWTSXGUCKPI-ABAIWWIYSA-N 0 3 265.401 2.320 10 0 CEAEHN CC[C@@H](N[C@@H]1CCN(CC)C1)c1ccc(F)cn1 ZINC000389240902 375300879 /nfs/dbraw/zinc/30/08/79/375300879.db2.gz KTGHOWVQPKFUBI-CHWSQXEVSA-N 0 3 251.349 2.356 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)NCc1csc(C)c1C ZINC000399856759 375370004 /nfs/dbraw/zinc/37/00/04/375370004.db2.gz ODIXFLXYOXSWAY-PRHODGIISA-N 0 3 254.399 2.355 10 0 CEAEHN COc1cccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282379943 375470622 /nfs/dbraw/zinc/47/06/22/375470622.db2.gz OJMIWJINZRSMSC-COPLHBTASA-N 0 3 262.353 2.013 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1ccc(F)cc1F ZINC000282460337 375489052 /nfs/dbraw/zinc/48/90/52/375489052.db2.gz TWKIKUBRHVZMLD-RVBZMBCESA-N 0 3 268.307 2.283 10 0 CEAEHN CCn1cc(CNC[C@@H](C)N(C)C(=O)OC(C)(C)C)cn1 ZINC000282929118 375617405 /nfs/dbraw/zinc/61/74/05/375617405.db2.gz WLESUXJNNUPXFG-GFCCVEGCSA-N 0 3 296.415 2.248 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCn2ccnc2C)c1C ZINC000312730562 376727501 /nfs/dbraw/zinc/72/75/01/376727501.db2.gz JDMZIWCFIJGAGX-NSHDSACASA-N 0 3 275.400 2.376 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H](O)CC1CCCC1 ZINC000300147600 379153954 /nfs/dbraw/zinc/15/39/54/379153954.db2.gz DWODEYWWRNKPND-HYVNUMGLSA-N 0 3 280.456 2.486 10 0 CEAEHN CCN1CC[C@H](NC(=O)c2cccc(Br)c2)C1 ZINC000334576696 380626816 /nfs/dbraw/zinc/62/68/16/380626816.db2.gz BBXKTFRTDBLEHN-LBPRGKRZSA-N 0 3 297.196 2.273 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)N(C)C1CCCCC1)[C@@H]1CCCO1 ZINC000183170116 542287561 /nfs/dbraw/zinc/28/75/61/542287561.db2.gz PCCHYOAKNSPMBC-IPYPFGDCSA-N 0 3 282.428 2.323 10 0 CEAEHN CCCN[C@H](Cc1ncnn1C(C)C)C(OCC)OCC ZINC000093307630 184662130 /nfs/dbraw/zinc/66/21/30/184662130.db2.gz XPYTWSDMHSYEJL-CYBMUJFWSA-N 0 3 298.431 2.169 10 0 CEAEHN COCCN1CCN([C@@H](C)c2cccc(OC)c2)C[C@@H]1C ZINC000175646458 532970926 /nfs/dbraw/zinc/97/09/26/532970926.db2.gz MIORRGKMWYPOKP-GJZGRUSLSA-N 0 3 292.423 2.409 10 0 CEAEHN CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000335399241 208369236 /nfs/dbraw/zinc/36/92/36/208369236.db2.gz IGVMXTKIVCNVTI-HUUCEWRRSA-N 0 3 296.455 2.259 10 0 CEAEHN CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H](O)CC(C)(C)C1 ZINC000335399242 208369324 /nfs/dbraw/zinc/36/93/24/208369324.db2.gz IGVMXTKIVCNVTI-LSDHHAIUSA-N 0 3 296.455 2.259 10 0 CEAEHN CN[C@@H](CN1C(=O)CC(C)CC1=O)c1ccc(C)cc1C ZINC000093356560 184666602 /nfs/dbraw/zinc/66/66/02/184666602.db2.gz SFZWXUAMMKURSI-HNNXBMFYSA-N 0 3 288.391 2.349 10 0 CEAEHN C[C@]1(c2cccnc2)CNC(=N)N1c1ccccc1F ZINC000093391283 184670459 /nfs/dbraw/zinc/67/04/59/184670459.db2.gz QRXMTFOARWPCJO-OAHLLOKOSA-N 0 3 270.311 2.271 10 0 CEAEHN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCCCN1 ZINC000081013162 177754572 /nfs/dbraw/zinc/75/45/72/177754572.db2.gz CAEHYKNHYATCBP-JTQLQIEISA-N 0 3 253.733 2.206 10 0 CEAEHN CCN[C@@H](c1ccc(Cl)c(OC)c1)[C@@H]1COCCO1 ZINC000094008768 184749583 /nfs/dbraw/zinc/74/95/83/184749583.db2.gz UTWOTLQMEIAXCH-KBPBESRZSA-N 0 3 285.771 2.415 10 0 CEAEHN CCCN[C@H](CCCS(C)(=O)=O)c1ccc(F)cn1 ZINC000094048068 184752511 /nfs/dbraw/zinc/75/25/11/184752511.db2.gz QPDMSWCVLXUQIK-GFCCVEGCSA-N 0 3 288.388 2.086 10 0 CEAEHN Nc1cccc2oc(NCCN3CCCCC3)nc21 ZINC000094353870 184787649 /nfs/dbraw/zinc/78/76/49/184787649.db2.gz LSNQRALHNYAPJH-UHFFFAOYSA-N 0 3 260.341 2.308 10 0 CEAEHN CC(C)(N)c1cn([C@H]2CCOC3(CCSCC3)C2)nn1 ZINC000094411393 184794691 /nfs/dbraw/zinc/79/46/91/184794691.db2.gz WFPCHPVABKABCR-NSHDSACASA-N 0 3 296.440 2.089 10 0 CEAEHN CCNC(=O)[C@H]1C[C@H](c2cccc(OC(C)C)c2)CCN1 ZINC000094835897 184877426 /nfs/dbraw/zinc/87/74/26/184877426.db2.gz XKLLLEGFISKUIG-GDBMZVCRSA-N 0 3 290.407 2.446 10 0 CEAEHN CCCOc1ccc(CN)c(O[C@@H](C)[C@@H](C)O)c1 ZINC000094652915 184834627 /nfs/dbraw/zinc/83/46/27/184834627.db2.gz ZXDZRMVDDUWDIR-MNOVXSKESA-N 0 3 253.342 2.082 10 0 CEAEHN NCc1cc2c(cc1OCc1cccc(O)c1)OCO2 ZINC000094692125 184840957 /nfs/dbraw/zinc/84/09/57/184840957.db2.gz UHAKJRFKBWUHMS-UHFFFAOYSA-N 0 3 273.288 2.159 10 0 CEAEHN C[C@H](NC[C@H]1CN(C)CCO1)c1csc(Cl)c1 ZINC000191353543 130224979 /nfs/dbraw/zinc/22/49/79/130224979.db2.gz XAENHSOLVZHJMG-ONGXEEELSA-N 0 3 274.817 2.383 10 0 CEAEHN CCC[C@](C)(N)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000262708606 131253822 /nfs/dbraw/zinc/25/38/22/131253822.db2.gz OBYBWYNJEDXUIV-CJNGLKHVSA-N 0 3 295.427 2.296 10 0 CEAEHN Cc1cc(Br)cnc1N1C[C@H](C)N[C@@H](C)C1 ZINC000086707132 135048327 /nfs/dbraw/zinc/04/83/27/135048327.db2.gz BWESVKOSGRAOEH-UWVGGRQHSA-N 0 3 284.201 2.339 10 0 CEAEHN NCc1cc2ccccc2c(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090907759 135066766 /nfs/dbraw/zinc/06/67/66/135066766.db2.gz LZRMQVKCCJYRQY-OKILXGFUSA-N 0 3 269.348 2.061 10 0 CEAEHN CC(C)NCc1cncc(N2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000091420821 135069479 /nfs/dbraw/zinc/06/94/79/135069479.db2.gz VPYZVOAZQTZAGP-GJZGRUSLSA-N 0 3 290.411 2.122 10 0 CEAEHN Cc1cc(C)c(CO)c(N2C[C@H]3CCCCN3C[C@@H]2C)n1 ZINC000094440244 135087789 /nfs/dbraw/zinc/08/77/89/135087789.db2.gz QNCBPOWSERDGRR-LSDHHAIUSA-N 0 3 289.423 2.254 10 0 CEAEHN C[C@H](O)c1ccc(N2CCN3CCCC[C@@H]3C2)cc1 ZINC000094439814 135087861 /nfs/dbraw/zinc/08/78/61/135087861.db2.gz BNNVUBDEPZJECA-XJKSGUPXSA-N 0 3 260.381 2.414 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(Cl)nn1 ZINC000094442754 135088582 /nfs/dbraw/zinc/08/85/82/135088582.db2.gz MZZCLQXLSZSHFH-GHMZBOCLSA-N 0 3 266.776 2.193 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H](C)Cc2cccs2)C1 ZINC000057824412 394564019 /nfs/dbraw/zinc/56/40/19/394564019.db2.gz BZZIVYYAZSIKPJ-QWHCGFSZSA-N 0 3 295.452 2.463 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000306781120 394518020 /nfs/dbraw/zinc/51/80/20/394518020.db2.gz BRFQDCKPXLUITL-AWEZNQCLSA-N 0 3 262.353 2.349 10 0 CEAEHN C[C@@H]1CCC[C@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247446253 394531004 /nfs/dbraw/zinc/53/10/04/394531004.db2.gz PVEZGSMALRBTQV-RDBSUJKOSA-N 0 3 250.386 2.119 10 0 CEAEHN Cc1ccc([C@@H](O)CN2CCN3CCCC[C@H]3C2)cc1 ZINC000248342835 394538479 /nfs/dbraw/zinc/53/84/79/394538479.db2.gz JUUMIMSZGZPTCW-IRXDYDNUSA-N 0 3 274.408 2.199 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000248658963 394545317 /nfs/dbraw/zinc/54/53/17/394545317.db2.gz UNQVVJNNFXXLSB-GJZGRUSLSA-N 0 3 281.400 2.114 10 0 CEAEHN C[C@@H](CN1CCOCC1)N1CCC[C@@H]1c1ccco1 ZINC000091578402 394657915 /nfs/dbraw/zinc/65/79/15/394657915.db2.gz BIDMRMBOAFWLQB-UONOGXRCSA-N 0 3 264.369 2.137 10 0 CEAEHN CN1CCNC[C@@H]1c1noc([C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000263214947 394627440 /nfs/dbraw/zinc/62/74/40/394627440.db2.gz KSNATWZBFPIXRV-MGPQQGTHSA-N 0 3 290.411 2.330 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)CCC2 ZINC000113223870 394746834 /nfs/dbraw/zinc/74/68/34/394746834.db2.gz CSDYJENRQAEZBY-SUMWQHHRSA-N 0 3 284.403 2.484 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)CC2(C)CCCCC2)CCO1 ZINC000124243935 394837639 /nfs/dbraw/zinc/83/76/39/394837639.db2.gz XSSXEEMKVSBEOH-CQSZACIVSA-N 0 3 282.428 2.136 10 0 CEAEHN CCN(Cc1ccccn1)C[C@H](O)COC(C)(C)C ZINC000131333884 394907533 /nfs/dbraw/zinc/90/75/33/394907533.db2.gz YFTAIDIFBSBSGI-AWEZNQCLSA-N 0 3 266.385 2.080 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)c1nc(C)cs1)N(C)C ZINC000131937836 394922026 /nfs/dbraw/zinc/92/20/26/394922026.db2.gz CKBMPCRRJAHXLD-QWRGUYRKSA-N 0 3 269.414 2.359 10 0 CEAEHN CC[C@H](O)CN1CCN([C@H](C)c2ccccc2C)CC1 ZINC000133974495 394955363 /nfs/dbraw/zinc/95/53/63/394955363.db2.gz YDKBJJBPURHYOH-CVEARBPZSA-N 0 3 276.424 2.445 10 0 CEAEHN CC(C)(C)OC(=O)CCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152383137 394995236 /nfs/dbraw/zinc/99/52/36/394995236.db2.gz FNCHWNPXKSNJOF-CQSZACIVSA-N 0 3 292.379 2.267 10 0 CEAEHN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(N[C@H]2C[C@H]2C)C1 ZINC000180638299 395205190 /nfs/dbraw/zinc/20/51/90/395205190.db2.gz SSBSOZKDKUVSSJ-YPMHNXCESA-N 0 3 297.395 2.036 10 0 CEAEHN CN(CCN(C)C[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000185191188 395278537 /nfs/dbraw/zinc/27/85/37/395278537.db2.gz QNLOTARIVXXNTL-INIZCTEOSA-N 0 3 280.387 2.368 10 0 CEAEHN CCOCCN1CCN(C[C@@H]2CCC(C)(C)O2)C[C@@H]1CC ZINC000186971653 395296425 /nfs/dbraw/zinc/29/64/25/395296425.db2.gz AQJGJZRWWGZGEF-HOTGVXAUSA-N 0 3 298.471 2.377 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2ccc(C)cc2)C1 ZINC000194311068 395431569 /nfs/dbraw/zinc/43/15/69/395431569.db2.gz JANVJFFXKGVOAF-HNNXBMFYSA-N 0 3 275.396 2.279 10 0 CEAEHN CC[C@](C)(O)CN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000444577109 395436807 /nfs/dbraw/zinc/43/68/07/395436807.db2.gz XAJHJWVNEMEZEH-HNNXBMFYSA-N 0 3 271.401 2.201 10 0 CEAEHN Fc1ccc(Cl)c(CN2CC[C@@H]3OCCN[C@H]3C2)c1 ZINC000404279997 289291933 /nfs/dbraw/zinc/29/19/33/289291933.db2.gz VBPWEHKDRAGOEC-KBPBESRZSA-N 0 3 284.762 2.042 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000189170009 153082283 /nfs/dbraw/zinc/08/22/83/153082283.db2.gz JVLMIZXWKULINP-CABCVRRESA-N 0 3 285.428 2.053 10 0 CEAEHN O=C(COc1ccc(Cl)cc1)N1CCN2CCC[C@H]2C1 ZINC000195314947 153279990 /nfs/dbraw/zinc/27/99/90/153279990.db2.gz LRECNMHWTIWTOO-ZDUSSCGKSA-N 0 3 294.782 2.025 10 0 CEAEHN O=C(CCc1ccc(F)cc1)N1CCN2CCC[C@H]2C1 ZINC000195318475 153281530 /nfs/dbraw/zinc/28/15/30/153281530.db2.gz WJMWLXGHZYAWRE-HNNXBMFYSA-N 0 3 276.355 2.065 10 0 CEAEHN O=C(c1ccc2c(c1)CCCC2)N1CCN2CCC[C@H]2C1 ZINC000195319508 153281641 /nfs/dbraw/zinc/28/16/41/153281641.db2.gz ABICMMWCPHVDNW-KRWDZBQOSA-N 0 3 284.403 2.486 10 0 CEAEHN CC(C)Cc1nc(C(=O)N2CCN3CCC[C@@H]3C2)cs1 ZINC000195339331 153288147 /nfs/dbraw/zinc/28/81/47/153288147.db2.gz IMZPSSWWGHKXBH-GFCCVEGCSA-N 0 3 293.436 2.262 10 0 CEAEHN CCOC(=O)CCCN[C@H](C)c1cncc(F)c1 ZINC000228579043 153369374 /nfs/dbraw/zinc/36/93/74/153369374.db2.gz ZBIZDWBFHQHJRH-SNVBAGLBSA-N 0 3 254.305 2.215 10 0 CEAEHN Cc1ccnc(NC[C@H]2NCCc3ccccc32)n1 ZINC000261633224 153794573 /nfs/dbraw/zinc/79/45/73/153794573.db2.gz WDTHANWMUUVTLL-CQSZACIVSA-N 0 3 254.337 2.084 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NC2CCC(C)(C)CC2)C1 ZINC000173912592 289382813 /nfs/dbraw/zinc/38/28/13/289382813.db2.gz WCXMXSQLWGONBA-ZDUSSCGKSA-N 0 3 267.417 2.301 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000262650217 153970982 /nfs/dbraw/zinc/97/09/82/153970982.db2.gz WSYVMKBBAMTVHW-BXKDBHETSA-N 0 3 274.324 2.049 10 0 CEAEHN C[C@@H](CC1CCCC1)c1nc([C@H]2CNCCN2C)no1 ZINC000263166148 154026835 /nfs/dbraw/zinc/02/68/35/154026835.db2.gz FFDCCQMKOORAFX-WCQYABFASA-N 0 3 278.400 2.330 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2cc(F)cc(Cl)c2)n1 ZINC000263274229 154048246 /nfs/dbraw/zinc/04/82/46/154048246.db2.gz SPIOHLZUAUBLGV-LLVKDONJSA-N 0 3 296.733 2.105 10 0 CEAEHN C[C@@H]([NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1)C1CCCC1 ZINC000263497845 154105526 /nfs/dbraw/zinc/10/55/26/154105526.db2.gz KBDUWVATUASTLB-UWTIGNOOSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H](NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C1CCCC1 ZINC000263497845 154105529 /nfs/dbraw/zinc/10/55/29/154105529.db2.gz KBDUWVATUASTLB-UWTIGNOOSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@@H](NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C1CCCC1 ZINC000263497845 154105532 /nfs/dbraw/zinc/10/55/32/154105532.db2.gz KBDUWVATUASTLB-UWTIGNOOSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC2CC(C(C)(C)C)C2)C1 ZINC000263509137 154107400 /nfs/dbraw/zinc/10/74/00/154107400.db2.gz MWTWNSOJRDMZIN-UHFFFAOYSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC2CC(C(C)(C)C)C2)C1 ZINC000263509137 154107405 /nfs/dbraw/zinc/10/74/05/154107405.db2.gz MWTWNSOJRDMZIN-UHFFFAOYSA-N 0 3 282.428 2.338 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000263509137 154107410 /nfs/dbraw/zinc/10/74/10/154107410.db2.gz MWTWNSOJRDMZIN-UHFFFAOYSA-N 0 3 282.428 2.338 10 0 CEAEHN CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CCC[C@@H]1O ZINC000352661002 154326227 /nfs/dbraw/zinc/32/62/27/154326227.db2.gz QBHYGMOVFNRECL-CVEARBPZSA-N 0 3 271.364 2.218 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(CCCOC(C)C)C1 ZINC000171501123 165047584 /nfs/dbraw/zinc/04/75/84/165047584.db2.gz ITAMSXZVWZFWRZ-AWEZNQCLSA-N 0 3 280.416 2.293 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000177437573 165199409 /nfs/dbraw/zinc/19/94/09/165199409.db2.gz KIAXSCRQAQBROU-QWHCGFSZSA-N 0 3 267.417 2.349 10 0 CEAEHN O=C(Nc1ccc2c(c1)COC2)N1CCN2CCC[C@H]2C1 ZINC000179413980 165280064 /nfs/dbraw/zinc/28/00/64/165280064.db2.gz QSPOCRGDAFLNIX-HNNXBMFYSA-N 0 3 287.363 2.029 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccoc1)CC2 ZINC000180623823 165317030 /nfs/dbraw/zinc/31/70/30/165317030.db2.gz YWMZHWZMDWPVPS-CMPLNLGQSA-N 0 3 260.341 2.099 10 0 CEAEHN CC(C)n1nnnc1CN[C@@H](Cc1ccccc1)C1CC1 ZINC000181556518 165348140 /nfs/dbraw/zinc/34/81/40/165348140.db2.gz UARACFWTBASXCQ-HNNXBMFYSA-N 0 3 285.395 2.365 10 0 CEAEHN CSCCCCCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000182191784 165367168 /nfs/dbraw/zinc/36/71/68/165367168.db2.gz CNFHUSYJCIVQRT-CQSZACIVSA-N 0 3 299.484 2.399 10 0 CEAEHN CC(C)c1cnc(CN2CCO[C@H](CN(C)C)C2)s1 ZINC000182933712 165379899 /nfs/dbraw/zinc/37/98/99/165379899.db2.gz QCNCAIISBMDBCR-GFCCVEGCSA-N 0 3 283.441 2.029 10 0 CEAEHN CSc1ccc([C@H](C)NCCNC(C)=O)cc1 ZINC000020185016 171048277 /nfs/dbraw/zinc/04/82/77/171048277.db2.gz ZFVRZDWPTMAHGB-JTQLQIEISA-N 0 3 252.383 2.195 10 0 CEAEHN CCCN(CCC)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000020189203 171054582 /nfs/dbraw/zinc/05/45/82/171054582.db2.gz ORGQGIGZFRFZLV-UHFFFAOYSA-N 0 3 288.388 2.095 10 0 CEAEHN NCc1cc(=O)c2cc(Br)ccc2o1 ZINC000020222227 171085279 /nfs/dbraw/zinc/08/52/79/171085279.db2.gz BAQHIZCSQOFGNP-UHFFFAOYSA-N 0 3 254.083 2.014 10 0 CEAEHN Cc1ccc(S(=O)(=O)[N-]c2ccc(C[NH3+])cc2)cc1 ZINC000020224359 171086724 /nfs/dbraw/zinc/08/67/24/171086724.db2.gz WVABMIXSFMSBMZ-UHFFFAOYSA-N 0 3 276.361 2.255 10 0 CEAEHN NC[C@@H](c1ccc(F)c(F)c1)N1CCSCC1 ZINC000020257017 171111572 /nfs/dbraw/zinc/11/15/72/171111572.db2.gz SCCRPNHEPUCUGU-LBPRGKRZSA-N 0 3 258.337 2.013 10 0 CEAEHN N[C@H](CN1CCOC1=O)c1ccc2ccccc2c1 ZINC000020262246 171120013 /nfs/dbraw/zinc/12/00/13/171120013.db2.gz LZUVRTYPXOMLJF-CQSZACIVSA-N 0 3 256.305 2.292 10 0 CEAEHN CN(C)CCNc1cccc(I)c1 ZINC000020359786 171158894 /nfs/dbraw/zinc/15/88/94/171158894.db2.gz ZUEXEUSPCXPPPU-UHFFFAOYSA-N 0 3 290.148 2.265 10 0 CEAEHN C[C@@H](N)c1ccccc1O[C@H](C)C(=O)NC(C)(C)C ZINC000020419504 171184447 /nfs/dbraw/zinc/18/44/47/171184447.db2.gz MGWLKKFNKHJKKF-GHMZBOCLSA-N 0 3 264.369 2.388 10 0 CEAEHN CCCCOCCO[C@@H]1COc2ccccc2[C@@H]1N ZINC000020509976 171230354 /nfs/dbraw/zinc/23/03/54/171230354.db2.gz KGZYTRPVENAREO-CABCVRRESA-N 0 3 265.353 2.281 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccccc2CN)C1 ZINC000022210445 171373377 /nfs/dbraw/zinc/37/33/77/171373377.db2.gz LPLYJPZFDPGWCF-CHWSQXEVSA-N 0 3 275.396 2.062 10 0 CEAEHN CC(C)[C@@H](N[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000035053671 171954585 /nfs/dbraw/zinc/95/45/85/171954585.db2.gz CHSRIRLDHRAOSF-CMPLNLGQSA-N 0 3 273.423 2.222 10 0 CEAEHN C[C@@H](N)c1ccc2ccccc2c1OCCC(N)=O ZINC000035427205 172194753 /nfs/dbraw/zinc/19/47/53/172194753.db2.gz CSABLAHIISTYML-SNVBAGLBSA-N 0 3 258.321 2.114 10 0 CEAEHN CCNCc1c(N(C)C2CC2)nc2sccn12 ZINC000035430081 172198585 /nfs/dbraw/zinc/19/85/85/172198585.db2.gz CQNKELAKAFUVDD-UHFFFAOYSA-N 0 3 250.371 2.104 10 0 CEAEHN CN[C@H](c1c(OC)cc(OC)cc1OC)C1CC1 ZINC000035468909 172218907 /nfs/dbraw/zinc/21/89/07/172218907.db2.gz BGTGCLGQHPHHCF-AWEZNQCLSA-N 0 3 251.326 2.383 10 0 CEAEHN CN[C@H](c1cccs1)c1ccc2[nH]c(=O)oc2c1 ZINC000035500600 172234834 /nfs/dbraw/zinc/23/48/34/172234834.db2.gz RQVHADUNRPEMSV-LBPRGKRZSA-N 0 3 260.318 2.491 10 0 CEAEHN CC[C@H](C)NS(=O)(=O)c1cccc([C@H](C)NC)c1 ZINC000035632856 172315283 /nfs/dbraw/zinc/31/52/83/172315283.db2.gz ZMZRIPODIDKKCX-QWRGUYRKSA-N 0 3 270.398 2.044 10 0 CEAEHN C[C@H](Oc1c(Cl)cc(Cl)cc1CN)C(=O)N(C)C ZINC000035661923 172339700 /nfs/dbraw/zinc/33/97/00/172339700.db2.gz ROVRWJHGKDDRHE-ZETCQYMHSA-N 0 3 291.178 2.308 10 0 CEAEHN CCNC(=O)COc1c(Cl)cc(Cl)cc1CNC ZINC000035661970 172340056 /nfs/dbraw/zinc/34/00/56/172340056.db2.gz AXZZCKIFLRBNOE-UHFFFAOYSA-N 0 3 291.178 2.228 10 0 CEAEHN CCNCc1cc(Cl)cc(Cl)c1OCCC(N)=O ZINC000035662070 172340719 /nfs/dbraw/zinc/34/07/19/172340719.db2.gz YUYLLXBZFRBEEH-UHFFFAOYSA-N 0 3 291.178 2.357 10 0 CEAEHN C[C@H](NCC(=O)Nc1ccccc1Cl)[C@@H]1CCCO1 ZINC000035735811 172388402 /nfs/dbraw/zinc/38/84/02/172388402.db2.gz XRDGCHJRQDICNX-GWCFXTLKSA-N 0 3 282.771 2.436 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)c1ccco1 ZINC000035738320 172391870 /nfs/dbraw/zinc/39/18/70/172391870.db2.gz HBGVXURSXVGERL-AAEUAGOBSA-N 0 3 258.321 2.027 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000037006040 172865481 /nfs/dbraw/zinc/86/54/81/172865481.db2.gz NASKJLXLFKRHAU-NSHDSACASA-N 0 3 284.743 2.193 10 0 CEAEHN COC(=O)C[C@H](N[C@@H]1CCSC1)c1cccs1 ZINC000037076385 172934722 /nfs/dbraw/zinc/93/47/22/172934722.db2.gz PXPWRGUMHLINDQ-ZJUUUORDSA-N 0 3 271.407 2.447 10 0 CEAEHN CCNCc1cc(Cl)ccc1OCC(=O)N(C)CC ZINC000037223071 173043245 /nfs/dbraw/zinc/04/32/45/173043245.db2.gz FSBQUJRQEQGWGU-UHFFFAOYSA-N 0 3 284.787 2.307 10 0 CEAEHN CCOc1ccc(N)cc1CN1CCC(OC)CC1 ZINC000037265603 173074161 /nfs/dbraw/zinc/07/41/61/173074161.db2.gz CPMDORBMOGPJRL-UHFFFAOYSA-N 0 3 264.369 2.278 10 0 CEAEHN COc1ccc(OC)c(NC(=O)CNC2CCCC2)c1 ZINC000037386812 173169780 /nfs/dbraw/zinc/16/97/80/173169780.db2.gz KJBGXQGWKBERMU-UHFFFAOYSA-N 0 3 278.352 2.175 10 0 CEAEHN COc1ccc(NC(=O)CNC2CCCC2)cc1OC ZINC000037386862 173170181 /nfs/dbraw/zinc/17/01/81/173170181.db2.gz HAWCZTXTUWCUGL-UHFFFAOYSA-N 0 3 278.352 2.175 10 0 CEAEHN N[C@H](Cc1ccc(Br)cc1)c1cnccn1 ZINC000037467118 173226700 /nfs/dbraw/zinc/22/67/00/173226700.db2.gz JQIMSWTZSOQTRM-LLVKDONJSA-N 0 3 278.153 2.482 10 0 CEAEHN CCCOc1cccc(CNC2CCS(=O)(=O)CC2)c1 ZINC000038038295 174038456 /nfs/dbraw/zinc/03/84/56/174038456.db2.gz QKLHLWQEKMWEHJ-UHFFFAOYSA-N 0 3 297.420 2.142 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000040464251 174273657 /nfs/dbraw/zinc/27/36/57/174273657.db2.gz XNJJVRQCZJEEQE-RBZYPMLTSA-N 0 3 284.350 2.385 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000040490600 174291846 /nfs/dbraw/zinc/29/18/46/174291846.db2.gz QCWIRXCIQSBFDW-QKCSRTOESA-N 0 3 263.385 2.073 10 0 CEAEHN Cc1cccc(CC[C@@H](C)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000040500417 174297004 /nfs/dbraw/zinc/29/70/04/174297004.db2.gz SFMVAZJAZXUPNF-UKRRQHHQSA-N 0 3 281.421 2.093 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3ccccc3)c(C)[nH]2)C1 ZINC000040637907 174361655 /nfs/dbraw/zinc/36/16/55/174361655.db2.gz PKQUYUGRFRXHGZ-STQMWFEESA-N 0 3 257.337 2.435 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3ccccc3F)c[nH]2)C1 ZINC000040637842 174361808 /nfs/dbraw/zinc/36/18/08/174361808.db2.gz ZQBUPBPVLQZIIB-CABZTGNLSA-N 0 3 261.300 2.265 10 0 CEAEHN COc1cccc(-c2c[nH]c([C@H]3C[C@@H](OC)CN3)n2)c1 ZINC000040637714 174361834 /nfs/dbraw/zinc/36/18/34/174361834.db2.gz DMPBFGJMDFNECS-CHWSQXEVSA-N 0 3 273.336 2.135 10 0 CEAEHN Cn1ccnc1CCN[C@H]1CCOc2ccccc21 ZINC000040638880 174362837 /nfs/dbraw/zinc/36/28/37/174362837.db2.gz GMKIMTJTCZTQCE-ZDUSSCGKSA-N 0 3 257.337 2.076 10 0 CEAEHN O[C@H]1CCCCC[C@H]1NCc1cccc2c1OCO2 ZINC000040667313 174367205 /nfs/dbraw/zinc/36/72/05/174367205.db2.gz IVUQCJBQYPAERD-OLZOCXBDSA-N 0 3 263.337 2.199 10 0 CEAEHN COc1cc(OC)c([C@H](CN)N2CC[C@@H](C)C2)c(OC)c1 ZINC000040717096 174384308 /nfs/dbraw/zinc/38/43/08/174384308.db2.gz INHXXHQDDZEYBO-YPMHNXCESA-N 0 3 294.395 2.054 10 0 CEAEHN COc1cc(OC)c([C@H](CN)N2CC[C@@H](C)C2)cc1OC ZINC000040717529 174384827 /nfs/dbraw/zinc/38/48/27/174384827.db2.gz FUCOGKBJLVSJDJ-YPMHNXCESA-N 0 3 294.395 2.054 10 0 CEAEHN C[C@@H]1CCN([C@@H](CN)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000040717377 174385015 /nfs/dbraw/zinc/38/50/15/174385015.db2.gz ATZNDUCDQGMQLJ-MFKMUULPSA-N 0 3 296.798 2.453 10 0 CEAEHN Cc1cc(=O)n(C[C@H](N)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000040728167 174387735 /nfs/dbraw/zinc/38/77/35/174387735.db2.gz GHNLOUXMVKZGEU-RDVIWEACSA-N 0 3 287.407 2.095 10 0 CEAEHN CC(C)C[C@H](CO)NCc1ccc2c(c1)OCCCO2 ZINC000040776487 174403311 /nfs/dbraw/zinc/40/33/11/174403311.db2.gz SIRDCIDDZFCOGE-CQSZACIVSA-N 0 3 279.380 2.345 10 0 CEAEHN Fc1cc(Cl)ccc1CN1CC[C@H]2OCCN[C@H]2C1 ZINC000404289480 414777220 /nfs/dbraw/zinc/77/72/20/414777220.db2.gz ZPDPTFPMDXHCLM-UONOGXRCSA-N 0 3 284.762 2.042 10 0 CEAEHN COc1ccc(CN[C@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000404594071 414788178 /nfs/dbraw/zinc/78/81/78/414788178.db2.gz OIGUFTIGAMXPHF-NWDGAFQWSA-N 0 3 253.317 2.227 10 0 CEAEHN Cc1ccc(C)c(C(=O)N(C)[C@H](CN)C(F)(F)F)c1 ZINC000662974784 414814403 /nfs/dbraw/zinc/81/44/03/414814403.db2.gz ACHXQUDADIQJTP-LLVKDONJSA-N 0 3 274.286 2.265 10 0 CEAEHN CN(C(=O)Cc1ccccc1Cl)[C@H](CN)C(F)(F)F ZINC000662975054 414814677 /nfs/dbraw/zinc/81/46/77/414814677.db2.gz DSMYCIHLCWWZPM-SNVBAGLBSA-N 0 3 294.704 2.231 10 0 CEAEHN CN(C(=O)CSc1ccccc1)[C@@H](CN)C(F)(F)F ZINC000662975608 414815117 /nfs/dbraw/zinc/81/51/17/414815117.db2.gz JFQYMWCZNXQLNX-JTQLQIEISA-N 0 3 292.326 2.127 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@H](CN)C(F)(F)F)s1 ZINC000662978253 414816529 /nfs/dbraw/zinc/81/65/29/414816529.db2.gz ZZGMXRXOQVSAEJ-MRVPVSSYSA-N 0 3 266.288 2.018 10 0 CEAEHN Cc1ccc(CC(=O)N(C)[C@H](CN)C(F)(F)F)cc1C ZINC000662976369 414816958 /nfs/dbraw/zinc/81/69/58/414816958.db2.gz OQJHMWBXYXFJJO-GFCCVEGCSA-N 0 3 288.313 2.194 10 0 CEAEHN COc1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)on1 ZINC000660463666 414835389 /nfs/dbraw/zinc/83/53/89/414835389.db2.gz DUVJKRRTCGSPPV-MJBXVCDLSA-N 0 3 280.368 2.199 10 0 CEAEHN CC[C@@H]1C[C@H](N[C@H](CN(C)C)c2ccccc2)CO1 ZINC000657297309 414840435 /nfs/dbraw/zinc/84/04/35/414840435.db2.gz LKKPPXFHSSYXSZ-ARFHVFGLSA-N 0 3 262.397 2.446 10 0 CEAEHN Cc1ncc(CN[C@@H](CN(C)C)c2ccccc2)n1C ZINC000657298475 414842189 /nfs/dbraw/zinc/84/21/89/414842189.db2.gz VLYJAJRZNKZKNN-INIZCTEOSA-N 0 3 272.396 2.121 10 0 CEAEHN COc1cc(F)cc(CN[C@H]2CCC[C@H](O)C2)c1 ZINC000312250821 414863141 /nfs/dbraw/zinc/86/31/41/414863141.db2.gz BFWRUKFNMRNSEG-STQMWFEESA-N 0 3 253.317 2.227 10 0 CEAEHN Oc1cccc2c1CC[C@H]2NCCO[C@H]1CC1(F)F ZINC000660651243 414918026 /nfs/dbraw/zinc/91/80/26/414918026.db2.gz ZAPOXTRPPDATTR-YPMHNXCESA-N 0 3 269.291 2.393 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(F)cc1)N(C)CC(=O)NC(C)C ZINC000042915684 174915428 /nfs/dbraw/zinc/91/54/28/174915428.db2.gz KLMARJCNTUDBCV-ZBFHGGJFSA-N 0 3 295.402 2.061 10 0 CEAEHN NC[C@@H](OC[C@H]1CCCCO1)c1ccccc1F ZINC000043047651 174957364 /nfs/dbraw/zinc/95/73/64/174957364.db2.gz IZAGESUAGBVZMO-BXUZGUMPSA-N 0 3 253.317 2.411 10 0 CEAEHN CN[C@H](c1ccc(OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300710 175001537 /nfs/dbraw/zinc/00/15/37/175001537.db2.gz DWAFASZVPPBHGO-UKRRQHHQSA-N 0 3 297.420 2.169 10 0 CEAEHN CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300805 175001547 /nfs/dbraw/zinc/00/15/47/175001547.db2.gz YECNAPJXNOUTNK-YPMHNXCESA-N 0 3 287.812 2.425 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N(CCOC)[C@@H](C)COC ZINC000043336210 175012152 /nfs/dbraw/zinc/01/21/52/175012152.db2.gz CMPPHGYFZYMJFC-GZBFAFLISA-N 0 3 284.400 2.041 10 0 CEAEHN NC[C@H](Oc1ccc(F)c(F)c1)c1cccnc1 ZINC000043351221 175019824 /nfs/dbraw/zinc/01/98/24/175019824.db2.gz GAKKDXLEIISISY-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N(C)CC(=O)N(CC)CC ZINC000043364925 175025604 /nfs/dbraw/zinc/02/56/04/175025604.db2.gz BRECNJVNDSREBQ-CZUORRHYSA-N 0 3 295.427 2.167 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc(Cl)c(F)c2)CCO1 ZINC000043390128 175033598 /nfs/dbraw/zinc/03/35/98/175033598.db2.gz AYAYYBNAIMTLHA-RNCFNFMXSA-N 0 3 272.751 2.200 10 0 CEAEHN CCN1CCN(C[C@H](NC)c2cc3ccccc3o2)CC1 ZINC000043805909 175108199 /nfs/dbraw/zinc/10/81/99/175108199.db2.gz FOPCGRDBXOVTBB-HNNXBMFYSA-N 0 3 287.407 2.331 10 0 CEAEHN CN[C@@H](CN(C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000043813201 175110940 /nfs/dbraw/zinc/11/09/40/175110940.db2.gz KTYCYYQCVSKEAY-ZDUSSCGKSA-N 0 3 266.385 2.305 10 0 CEAEHN CCCN[C@@H](CN(C)C)c1ccc(OC)cc1OC ZINC000043816176 175112469 /nfs/dbraw/zinc/11/24/69/175112469.db2.gz XABMSZRJDSJHGP-AWEZNQCLSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@@H](CN1CCC(OC)CC1)c1ccccc1OC ZINC000043890176 175118089 /nfs/dbraw/zinc/11/80/89/175118089.db2.gz AHLMJKMGVFFORH-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)COC ZINC000043969323 175130632 /nfs/dbraw/zinc/13/06/32/175130632.db2.gz RLHMJWQZQRIFSQ-BJJXKVORSA-N 0 3 278.396 2.065 10 0 CEAEHN CCN1CCC(N(C)C(=O)c2ccc(N)cc2C)CC1 ZINC000044748422 175244010 /nfs/dbraw/zinc/24/40/10/175244010.db2.gz IYPYBKXBRCEYBK-UHFFFAOYSA-N 0 3 275.396 2.134 10 0 CEAEHN C[C@@H]1CCCN(C(=O)[C@H](CN)Cc2ccccc2)C1 ZINC000044796135 175254825 /nfs/dbraw/zinc/25/48/25/175254825.db2.gz VXSPHOWKJXWXLX-HIFRSBDPSA-N 0 3 260.381 2.063 10 0 CEAEHN CCC[C@@H](C)N(C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044802066 175255456 /nfs/dbraw/zinc/25/54/56/175255456.db2.gz NNEZEQLWFWSNOP-UKRRQHHQSA-N 0 3 262.397 2.451 10 0 CEAEHN CC(C)C[C@H](C)NC(=O)[C@H](CN)Cc1ccccc1 ZINC000044800912 175255520 /nfs/dbraw/zinc/25/55/20/175255520.db2.gz RALUCLGIHUBSCN-ZFWWWQNUSA-N 0 3 262.397 2.355 10 0 CEAEHN CCN[C@@H]1CCN(CC2CCC(CC)CC2)C1=O ZINC000044995028 175287223 /nfs/dbraw/zinc/28/72/23/175287223.db2.gz KDBVNSMRXOESMC-JXQTWKCFSA-N 0 3 252.402 2.413 10 0 CEAEHN Cc1ccc(C(=O)NC[C@H](C)N2CCCCC2)cc1O ZINC000045010692 175289287 /nfs/dbraw/zinc/28/92/87/175289287.db2.gz UNJMXTLDJDDAPC-ZDUSSCGKSA-N 0 3 276.380 2.305 10 0 CEAEHN CN(CC(N)=S)Cc1ccc(OC(F)(F)F)cc1 ZINC000045063033 175298891 /nfs/dbraw/zinc/29/88/91/175298891.db2.gz SCUCCSKSOCPZJX-UHFFFAOYSA-N 0 3 278.299 2.303 10 0 CEAEHN COc1ccc(Cl)cc1CN(C)[C@@H](C)C(N)=S ZINC000045147024 175317145 /nfs/dbraw/zinc/31/71/45/175317145.db2.gz ONOSMNRKCXSHIB-QMMMGPOBSA-N 0 3 272.801 2.455 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c(CNC2CCCC2)n1 ZINC000045169549 175320246 /nfs/dbraw/zinc/32/02/46/175320246.db2.gz LDWZKSYHKQITTK-UHFFFAOYSA-N 0 3 273.384 2.459 10 0 CEAEHN CCCCN(C)C[C@@](NC)(C(=O)OCC)c1ccccc1 ZINC000045221914 175330578 /nfs/dbraw/zinc/33/05/78/175330578.db2.gz TULYSKWBTXRIGX-KRWDZBQOSA-N 0 3 292.423 2.396 10 0 CEAEHN CCOC(=O)[C@@](N)(CN1CCCC[C@@H]1C)c1ccccc1 ZINC000045226859 175333248 /nfs/dbraw/zinc/33/32/48/175333248.db2.gz JIDKGYVNUXPLBU-WMLDXEAASA-N 0 3 290.407 2.278 10 0 CEAEHN CCCN[C@](C)(CCN1CCCC[C@@H]1C)C(=O)OC ZINC000045227101 175333755 /nfs/dbraw/zinc/33/37/55/175333755.db2.gz PKRLUCMOUFLMCQ-DZGCQCFKSA-N 0 3 270.417 2.182 10 0 CEAEHN CC[N@H+](CC[C@](C)(NC(C)C)C(=O)[O-])C1CCCC1 ZINC000045269266 175340808 /nfs/dbraw/zinc/34/08/08/175340808.db2.gz YKNSSYQCEUBYHM-HNNXBMFYSA-N 0 3 270.417 2.482 10 0 CEAEHN CC[N@@H+](CC[C@](C)(NC(C)C)C(=O)[O-])C1CCCC1 ZINC000045269266 175340811 /nfs/dbraw/zinc/34/08/11/175340811.db2.gz YKNSSYQCEUBYHM-HNNXBMFYSA-N 0 3 270.417 2.482 10 0 CEAEHN CCCCCN(C)C[C@](C)(NCC)C(=O)OCC ZINC000045268137 175340930 /nfs/dbraw/zinc/34/09/30/175340930.db2.gz OOFWTSDYNUIPAY-AWEZNQCLSA-N 0 3 258.406 2.040 10 0 CEAEHN CCN[C@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273816 175344158 /nfs/dbraw/zinc/34/41/58/175344158.db2.gz BYLFJCUAQFOIGH-OAHLLOKOSA-N 0 3 272.433 2.443 10 0 CEAEHN COc1cccc(OC)c1-c1ccnc(CCN(C)C)n1 ZINC000045390148 175374724 /nfs/dbraw/zinc/37/47/24/175374724.db2.gz ZOGZUNFJVUUUTM-UHFFFAOYSA-N 0 3 287.363 2.265 10 0 CEAEHN COc1ccc([C@H](C)NC2CC(CO)C2)c(OC)c1 ZINC000658351546 415332495 /nfs/dbraw/zinc/33/24/95/415332495.db2.gz NVHTYYJDRDONTN-UNXYVOJBSA-N 0 3 265.353 2.125 10 0 CEAEHN CN[C@@H](Cc1ccccc1OC)c1c(C)ccnc1N ZINC000070402974 175911858 /nfs/dbraw/zinc/91/18/58/175911858.db2.gz PPFJNTJKBVSLJJ-ZDUSSCGKSA-N 0 3 271.364 2.484 10 0 CEAEHN N[C@H]1CCC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000070824416 176007297 /nfs/dbraw/zinc/00/72/97/176007297.db2.gz LQSHSPTYSMJVAR-ONGXEEELSA-N 0 3 259.136 2.272 10 0 CEAEHN Nc1cc(Cl)ccc1SC[C@H]1CNCCO1 ZINC000070834373 176007771 /nfs/dbraw/zinc/00/77/71/176007771.db2.gz KSHUYJKXXAIGCM-SECBINFHSA-N 0 3 258.774 2.003 10 0 CEAEHN CC(C)N1C(=O)CC[C@@H](N)[C@H]1c1cccc(F)c1 ZINC000070987004 176018638 /nfs/dbraw/zinc/01/86/38/176018638.db2.gz UVFXPDNQEXEJIK-TZMCWYRMSA-N 0 3 250.317 2.225 10 0 CEAEHN CC(C)N1C(=O)CC[C@H](N)[C@@H]1c1cccc(F)c1F ZINC000070987019 176018677 /nfs/dbraw/zinc/01/86/77/176018677.db2.gz FFKABRZRJDQVRK-FZMZJTMJSA-N 0 3 268.307 2.364 10 0 CEAEHN CC(C)N[C@H]1CCN(c2cccc(F)c2F)C1=O ZINC000071031072 176022689 /nfs/dbraw/zinc/02/26/89/176022689.db2.gz VJFKIAGBPIGKLQ-JTQLQIEISA-N 0 3 254.280 2.068 10 0 CEAEHN Cc1ccc([C@@H](C)N2CC[C@H](NC3CC3)C2=O)s1 ZINC000071032294 176023428 /nfs/dbraw/zinc/02/34/28/176023428.db2.gz LAZJOWPKVJEHKC-PWSUYJOCSA-N 0 3 264.394 2.470 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccccc1Br ZINC000071032399 176023435 /nfs/dbraw/zinc/02/34/35/176023435.db2.gz MKWHDJLOHSYMBF-LLVKDONJSA-N 0 3 295.180 2.306 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccccc1Cl ZINC000071033246 176023557 /nfs/dbraw/zinc/02/35/57/176023557.db2.gz UDWPOXWXBDSXSC-NSHDSACASA-N 0 3 250.729 2.197 10 0 CEAEHN Cc1ccc(N2CC[C@@H](NC(C)C)C2=O)cc1F ZINC000071033024 176023829 /nfs/dbraw/zinc/02/38/29/176023829.db2.gz YKRYHUMJXBMXLO-CYBMUJFWSA-N 0 3 250.317 2.237 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1CC1CCCCC1 ZINC000071039783 176027253 /nfs/dbraw/zinc/02/72/53/176027253.db2.gz UGTNOZFJHKGZEE-AWEZNQCLSA-N 0 3 250.386 2.310 10 0 CEAEHN Cc1cccc(CCN2CCC[C@@H](NC3CC3)C2=O)c1 ZINC000071042009 176028612 /nfs/dbraw/zinc/02/86/12/176028612.db2.gz UVAHRSBLRBUQEZ-MRXNPFEDSA-N 0 3 272.392 2.281 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(C)C)CCCC[C@H]1CC ZINC000071162796 176046980 /nfs/dbraw/zinc/04/69/80/176046980.db2.gz NBPQENWCZSGOBJ-HIFRSBDPSA-N 0 3 270.417 2.040 10 0 CEAEHN NCc1cnc(N2CCC[C@@H]2c2ccccc2)cn1 ZINC000071177819 176055605 /nfs/dbraw/zinc/05/56/05/176055605.db2.gz WKWJALWMPUVZDK-CQSZACIVSA-N 0 3 254.337 2.277 10 0 CEAEHN CN1CC[C@H](Oc2ccc(Cl)cc2CNC2CC2)C1=O ZINC000071182840 176057977 /nfs/dbraw/zinc/05/79/77/176057977.db2.gz BOVNSZAOHOVIGL-AWEZNQCLSA-N 0 3 294.782 2.202 10 0 CEAEHN CC(C)[C@H](N[C@H]1CCN(C)C1=O)c1cccs1 ZINC000071183738 176059180 /nfs/dbraw/zinc/05/91/80/176059180.db2.gz CRPKEVKFGQPBCD-JQWIXIFHSA-N 0 3 252.383 2.266 10 0 CEAEHN Cc1c(C)c(N2CCC[C@H]2CN(C)C)nnc1Cl ZINC000071187119 176060817 /nfs/dbraw/zinc/06/08/17/176060817.db2.gz POYYPNOTWPZTAC-NSHDSACASA-N 0 3 268.792 2.277 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)c1ccc(C=O)cc1F ZINC000071189463 176065078 /nfs/dbraw/zinc/06/50/78/176065078.db2.gz OHSLXSMSTPITRV-LBPRGKRZSA-N 0 3 250.317 2.026 10 0 CEAEHN Cc1ncsc1CNC[C@@H]1Cc2ccccc2CN1 ZINC000071213740 176085333 /nfs/dbraw/zinc/08/53/33/176085333.db2.gz LPMGIGKVDFQJAJ-AWEZNQCLSA-N 0 3 273.405 2.256 10 0 CEAEHN CCN(Cc1ccc(F)cc1C(N)=S)[C@@H](C)COC ZINC000071266152 176099806 /nfs/dbraw/zinc/09/98/06/176099806.db2.gz ZLGCGTMFPKKXJY-JTQLQIEISA-N 0 3 284.400 2.317 10 0 CEAEHN COC[C@@H](O)CN[C@H](c1ccccc1)c1ccc(O)cc1 ZINC000071267605 176101340 /nfs/dbraw/zinc/10/13/40/176101340.db2.gz ZUVYUKYCJGJNPD-DLBZAZTESA-N 0 3 287.359 2.079 10 0 CEAEHN C[C@@H]1CCCCN1CCC[NH2+]CCCCCC(=O)[O-] ZINC000071293005 176110908 /nfs/dbraw/zinc/11/09/08/176110908.db2.gz SALPXJPJRZJKJN-CQSZACIVSA-N 0 3 270.417 2.486 10 0 CEAEHN c1ccc2c(c1)C[C@@H](CNC1=NC[C@H](C3CC3)S1)O2 ZINC000071307911 176116538 /nfs/dbraw/zinc/11/65/38/176116538.db2.gz NEQJHVKHBUOITL-GXTWGEPZSA-N 0 3 274.389 2.461 10 0 CEAEHN CNCc1cc(C)ccc1O[C@@H](C)C(=O)NCC(C)C ZINC000071403653 176154820 /nfs/dbraw/zinc/15/48/20/176154820.db2.gz IJYBKWMTTIVHDF-ZDUSSCGKSA-N 0 3 278.396 2.254 10 0 CEAEHN COc1ccc([C@H](CN)N2CCCC2)cc1Cl ZINC000071576292 176203791 /nfs/dbraw/zinc/20/37/91/176203791.db2.gz ZASWHDTUCWEJAP-LBPRGKRZSA-N 0 3 254.761 2.444 10 0 CEAEHN C[C@H](N)CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000071599563 176224760 /nfs/dbraw/zinc/22/47/60/176224760.db2.gz MAROIOFPEJNAES-LURJTMIESA-N 0 3 268.165 2.114 10 0 CEAEHN CN(c1cnn(-c2ccccc2)c1)C1CCN(C)CC1 ZINC000071711312 176248605 /nfs/dbraw/zinc/24/86/05/176248605.db2.gz DVEHOACVGSPIOP-UHFFFAOYSA-N 0 3 270.380 2.403 10 0 CEAEHN CC(C)(C)[C@@H](N)C(=O)NCc1ccc(Cl)cc1 ZINC000072118630 176319325 /nfs/dbraw/zinc/31/93/25/176319325.db2.gz LRVUWJBUVBABHX-NSHDSACASA-N 0 3 254.761 2.330 10 0 CEAEHN CCOC(=O)CCCCCN1[C@@H](C)COC[C@@H]1C ZINC000077369877 177259442 /nfs/dbraw/zinc/25/94/42/177259442.db2.gz RIWXJKNMLKRPIW-STQMWFEESA-N 0 3 257.374 2.219 10 0 CEAEHN C[C@H](c1ccccc1)N1CCN(C(C)(C)C(N)=S)CC1 ZINC000078626843 177362317 /nfs/dbraw/zinc/36/23/17/177362317.db2.gz YAZLGVWYWJQCMU-CYBMUJFWSA-N 0 3 291.464 2.430 10 0 CEAEHN CCc1c(C)nc(-c2ccc3nccnc3c2)nc1NN ZINC000078715257 177375253 /nfs/dbraw/zinc/37/52/53/177375253.db2.gz NAZTZXVEMPHKAX-UHFFFAOYSA-N 0 3 280.335 2.243 10 0 CEAEHN CCc1ccc(-c2nc(C[NH2+]C3CC3)cc(=O)[n-]2)cc1 ZINC000079940722 177585039 /nfs/dbraw/zinc/58/50/39/177585039.db2.gz VOOBRBWWDBTVJJ-UHFFFAOYSA-N 0 3 269.348 2.251 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H](C)C[C@@H]2COCCN2)o1 ZINC000133588320 419431980 /nfs/dbraw/zinc/43/19/80/419431980.db2.gz FSTFFAXBTCQPES-WCFLWFBJSA-N 0 3 252.358 2.006 10 0 CEAEHN CCCN(CCN(C)Cc1ccc(F)cc1)CC(=O)OC ZINC000186687820 270251782 /nfs/dbraw/zinc/25/17/82/270251782.db2.gz WOQXSIWQFZBUQR-UHFFFAOYSA-N 0 3 296.386 2.143 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC=CCC2)C1 ZINC000250111828 270328046 /nfs/dbraw/zinc/32/80/46/270328046.db2.gz LQDXTZDNLYOZFX-ZIAGYGMSSA-N 0 3 265.401 2.126 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000194336639 270296416 /nfs/dbraw/zinc/29/64/16/270296416.db2.gz NSNQGVISZHINST-CQSZACIVSA-N 0 3 289.379 2.227 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@@H](C)Oc2cccc(F)c2)C1 ZINC000194655461 270301993 /nfs/dbraw/zinc/30/19/93/270301993.db2.gz FMYYMUILZDKVAM-TZMCWYRMSA-N 0 3 294.370 2.194 10 0 CEAEHN CCc1ccc(OCC(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000194632448 270302098 /nfs/dbraw/zinc/30/20/98/270302098.db2.gz IBNATTUQFXCASR-OAHLLOKOSA-N 0 3 290.407 2.228 10 0 CEAEHN Cn1ccc(CNC(C)(C)CCNC(=O)OC(C)(C)C)n1 ZINC000397274598 270352237 /nfs/dbraw/zinc/35/22/37/270352237.db2.gz KTFXANXKHFXRJR-UHFFFAOYSA-N 0 3 296.415 2.203 10 0 CEAEHN CSCCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000152019186 278129364 /nfs/dbraw/zinc/12/93/64/278129364.db2.gz IOURDPRFEKVEGP-CQSZACIVSA-N 0 3 295.452 2.342 10 0 CEAEHN CC(C)(C)[C@H](N)C(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000161623790 278527038 /nfs/dbraw/zinc/52/70/38/278527038.db2.gz JTEBZRAHEMPOKV-MELADBBJSA-N 0 3 276.380 2.006 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)N2C[C@H](N(C)C)Cc3ccccc32)O1 ZINC000153711696 278592476 /nfs/dbraw/zinc/59/24/76/278592476.db2.gz KTVYNOVLIDXPKI-XNRPHZJLSA-N 0 3 288.391 2.073 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000263523270 279059822 /nfs/dbraw/zinc/05/98/22/279059822.db2.gz SAXHASYOILMSFB-MMFDQKDXSA-N 0 3 282.428 2.338 10 0 CEAEHN Cc1sc2nc(C)nc(N3CCNC[C@@H]3C)c2c1C ZINC000261578362 279285792 /nfs/dbraw/zinc/28/57/92/279285792.db2.gz DFGOCIBCYHALIF-QMMMGPOBSA-N 0 3 276.409 2.415 10 0 CEAEHN C[C@@H](Cc1ccccc1)CN1CCCNC(=O)[C@@H]1C ZINC000189093877 280143309 /nfs/dbraw/zinc/14/33/09/280143309.db2.gz DEXWWBPJJLAQKA-KBPBESRZSA-N 0 3 260.381 2.076 10 0 CEAEHN C[C@@H]1CCC[C@H](CCN2CCCNC(=O)[C@@H]2C)C1 ZINC000189277079 280147685 /nfs/dbraw/zinc/14/76/85/280147685.db2.gz AXISNPXKDRZUOS-HZSPNIEDSA-N 0 3 252.402 2.413 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000195404784 280203716 /nfs/dbraw/zinc/20/37/16/280203716.db2.gz GYKPVWNGIKFZCB-GFCCVEGCSA-N 0 3 274.368 2.408 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)OCC(F)(F)F)C1 ZINC000246166659 280277913 /nfs/dbraw/zinc/27/79/13/280277913.db2.gz FCFQACAEKQEOPA-RKDXNWHRSA-N 0 3 268.279 2.004 10 0 CEAEHN Fc1cccc(OCCN2CCN3CCCC[C@H]3C2)c1 ZINC000246237201 280282940 /nfs/dbraw/zinc/28/29/40/280282940.db2.gz UGKGYLJKCIIHMG-HNNXBMFYSA-N 0 3 278.371 2.375 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(C)CC2)C1 ZINC000246585609 280302297 /nfs/dbraw/zinc/30/22/97/280302297.db2.gz YNHFUXGOAOUKMO-ZIAGYGMSSA-N 0 3 267.417 2.157 10 0 CEAEHN CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000247069748 280319635 /nfs/dbraw/zinc/31/96/35/280319635.db2.gz PRYWGMFZOATIEQ-HZSPNIEDSA-N 0 3 299.484 2.396 10 0 CEAEHN C[C@@H]1COCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000248843007 280368120 /nfs/dbraw/zinc/36/81/20/280368120.db2.gz GSYUWDXFUUIBQT-FVQBIDKESA-N 0 3 290.407 2.078 10 0 CEAEHN Cc1ccc(CN(C)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)o1 ZINC000249282675 280390961 /nfs/dbraw/zinc/39/09/61/280390961.db2.gz NEAVOZRSSJSJRX-DOMZBBRYSA-N 0 3 293.411 2.458 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1CCOC(C)C ZINC000253183968 281187489 /nfs/dbraw/zinc/18/74/89/281187489.db2.gz GYVOLYHOLWTYQQ-GJZGRUSLSA-N 0 3 254.418 2.360 10 0 CEAEHN COc1cc([C@@H](C)NC[C@H](C)N2CCOCC2)ccc1F ZINC000152726243 289096370 /nfs/dbraw/zinc/09/63/70/289096370.db2.gz VLTUPQKRMHIMQC-QWHCGFSZSA-N 0 3 296.386 2.206 10 0 CEAEHN CCC[C@@H](C(=O)NCC(C)(C)N1CCCCC1)N(C)C ZINC000158880020 289241476 /nfs/dbraw/zinc/24/14/76/289241476.db2.gz MZWYTRDELWAYRF-AWEZNQCLSA-N 0 3 283.460 2.097 10 0 CEAEHN c1sc2ccccc2c1CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000404075479 289291318 /nfs/dbraw/zinc/29/13/18/289291318.db2.gz QNSXLGFXQQUCRV-HUUCEWRRSA-N 0 3 288.416 2.464 10 0 CEAEHN C[C@H](N[C@H]1CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000219241438 290057169 /nfs/dbraw/zinc/05/71/69/290057169.db2.gz HJTKKSLWKPQDJG-JQWIXIFHSA-N 0 3 285.434 2.246 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccccc2OC(F)F)C1 ZINC000171071024 297474052 /nfs/dbraw/zinc/47/40/52/297474052.db2.gz BJOLXLBIODZVDK-SNVBAGLBSA-N 0 3 299.321 2.456 10 0 CEAEHN Cc1cccc2c1OCCC[C@H]2NCCCS(C)(=O)=O ZINC000038047733 302060416 /nfs/dbraw/zinc/06/04/16/302060416.db2.gz JQXCEVIYLAYTSH-CQSZACIVSA-N 0 3 297.420 2.233 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN[C@@H](CCCO)c1ccccc1 ZINC000179758773 312754863 /nfs/dbraw/zinc/75/48/63/312754863.db2.gz GOUCGRVZLHTVIQ-CVEARBPZSA-N 0 3 295.423 2.266 10 0 CEAEHN Cc1cccc(CCN2C[C@H]3CCCCN3C[C@@H]2C)n1 ZINC000576460707 314277884 /nfs/dbraw/zinc/27/78/84/314277884.db2.gz BIXZRSWHLWPBIO-DOTOQJQBSA-N 0 3 273.424 2.491 10 0 CEAEHN C[C@@H]1CCCN([C@@H]2CNC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960845 330384262 /nfs/dbraw/zinc/38/42/62/330384262.db2.gz UEYACEUEEIQLQV-MCIONIFRSA-N 0 3 282.428 2.038 10 0 CEAEHN CC(C)N(Cc1cccnc1CN)CC(F)(F)F ZINC000061656869 519659128 /nfs/dbraw/zinc/65/91/28/519659128.db2.gz BWQVAKSGVBQAIT-UHFFFAOYSA-N 0 3 261.291 2.313 10 0 CEAEHN CCCC1CCN(CC[C@@](C)([NH2+]CC)C(=O)[O-])CC1 ZINC000050905704 519901621 /nfs/dbraw/zinc/90/16/21/519901621.db2.gz PNKMJHOLEACRLR-OAHLLOKOSA-N 0 3 270.417 2.341 10 0 CEAEHN CCCNCc1occc1CN1C[C@H](C)OC[C@@H]1C ZINC000052476454 519973258 /nfs/dbraw/zinc/97/32/58/519973258.db2.gz TUCBKWAMNHTDPI-STQMWFEESA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1cc(Cl)ccc1OC[C@H](O)COCC ZINC000069274960 519989945 /nfs/dbraw/zinc/98/99/45/519989945.db2.gz IJZCJRWPBGULOT-CYBMUJFWSA-N 0 3 287.787 2.226 10 0 CEAEHN CCCN[C@@H]1c2ccccc2CCC[C@H]1S(C)(=O)=O ZINC000054930496 520028415 /nfs/dbraw/zinc/02/84/15/520028415.db2.gz ANDOLBPEKNIJNJ-HUUCEWRRSA-N 0 3 281.421 2.477 10 0 CEAEHN CCCN[C@@](CN1CCC(C)CC1)(C(=O)OC)C1CC1 ZINC000069092486 520051453 /nfs/dbraw/zinc/05/14/53/520051453.db2.gz VXXDAHFPNYOQGP-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCN[C@@](CN1CCCCCC1)(C(=O)OC)C1CC1 ZINC000069095035 520052032 /nfs/dbraw/zinc/05/20/32/520052032.db2.gz KXHPBRHHNUJQOG-MRXNPFEDSA-N 0 3 282.428 2.184 10 0 CEAEHN CCCN[C@@](CN(C)C(C)C)(C(=O)OCC)C1CC1 ZINC000069095391 520046805 /nfs/dbraw/zinc/04/68/05/520046805.db2.gz MLSIJKCVLRDLDK-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCNc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000050780010 520146530 /nfs/dbraw/zinc/14/65/30/520146530.db2.gz FINFFCBUNBAUCJ-GFCCVEGCSA-N 0 3 263.385 2.188 10 0 CEAEHN CCN[C@H](CCN1CCCC(C)(C)C1)C(=O)OCC ZINC000069517039 520188296 /nfs/dbraw/zinc/18/82/96/520188296.db2.gz JCUOWFJLAOEORR-CYBMUJFWSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN(CCOC)Cc1ccc(CNC(C)C)o1 ZINC000052542678 521135482 /nfs/dbraw/zinc/13/54/82/521135482.db2.gz AOUFAVKRTSJEKY-UHFFFAOYSA-N 0 3 254.374 2.246 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](OCCC(C)C)C1 ZINC000155476148 521945887 /nfs/dbraw/zinc/94/58/87/521945887.db2.gz BKKDDJXCUXJYQQ-IHRRRGAJSA-N 0 3 270.417 2.023 10 0 CEAEHN CNCCS(=O)(=O)Nc1c(C)cccc1C(C)C ZINC000049629972 522014137 /nfs/dbraw/zinc/01/41/37/522014137.db2.gz ARJIAJCGFSEZDZ-UHFFFAOYSA-N 0 3 270.398 2.080 10 0 CEAEHN CNCc1ccc(Oc2cccc(F)c2F)nn1 ZINC000062654106 522124549 /nfs/dbraw/zinc/12/45/49/522124549.db2.gz RHMIIEGAKPCOHD-UHFFFAOYSA-N 0 3 251.236 2.267 10 0 CEAEHN CC[C@H]([NH3+])[C@@]([O-])(c1cc(C)ccc1OC)C(F)(F)F ZINC000062784629 522342368 /nfs/dbraw/zinc/34/23/68/522342368.db2.gz OXQWFLPZWXPQFA-RYUDHWBXSA-N 0 3 277.286 2.491 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1c1cccc(F)c1CN ZINC000093395229 536171161 /nfs/dbraw/zinc/17/11/61/536171161.db2.gz ZNYPUEZHHUFQAC-MNOVXSKESA-N 0 3 252.333 2.288 10 0 CEAEHN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1CN ZINC000019391117 518183790 /nfs/dbraw/zinc/18/37/90/518183790.db2.gz QGNQYOINSHFEGS-JSGCOSHPSA-N 0 3 292.379 2.058 10 0 CEAEHN CC(C)(C)NC(=O)[C@@H](CN)Cc1cc(F)c(F)c(F)c1 ZINC000062706149 518744376 /nfs/dbraw/zinc/74/43/76/518744376.db2.gz LTZCRZDUNUFQJE-SECBINFHSA-N 0 3 288.313 2.136 10 0 CEAEHN CC(C)(C)c1nc(N2CCSCC2)sc1CN ZINC000054996150 519103093 /nfs/dbraw/zinc/10/30/93/519103093.db2.gz JVEFYYIVCSAFSL-UHFFFAOYSA-N 0 3 271.455 2.453 10 0 CEAEHN CC(C)CCC[C@H](C)NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631409 519648062 /nfs/dbraw/zinc/64/80/62/519648062.db2.gz ZAKXJVALUPTTMR-KBPBESRZSA-N 0 3 290.473 2.263 10 0 CEAEHN CC(C)CCOCCn1cc(CNCC(C)C)nn1 ZINC000052624633 519669267 /nfs/dbraw/zinc/66/92/67/519669267.db2.gz YQBLIUWZXMDZJL-UHFFFAOYSA-N 0 3 268.405 2.086 10 0 CEAEHN CC(C)NCCS(=O)(=O)N1c2ccccc2CC[C@H]1C ZINC000049632261 519722273 /nfs/dbraw/zinc/72/22/73/519722273.db2.gz XPFSLFXWSIJAJX-CYBMUJFWSA-N 0 3 296.436 2.156 10 0 CEAEHN CC(C)NCc1cccc(OC2CCOCC2)n1 ZINC000051522165 519727118 /nfs/dbraw/zinc/72/71/18/519727118.db2.gz ZLTFAGUSTKDRET-UHFFFAOYSA-N 0 3 250.342 2.137 10 0 CEAEHN CC(C)CN1CCN([C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000055080831 519728151 /nfs/dbraw/zinc/72/81/51/519728151.db2.gz NLOYSWIVXNNSEF-ZACQAIPSSA-N 0 3 282.472 2.446 10 0 CEAEHN CC(C)CN1CCN([C@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC000055080765 519728272 /nfs/dbraw/zinc/72/82/72/519728272.db2.gz OYMBEJYFHGKIRS-ROUUACIJSA-N 0 3 288.435 2.308 10 0 CEAEHN CC(=O)Nc1ccc([C@H](O)[C@H](N)c2ccccc2)cc1 ZINC000054682906 519734447 /nfs/dbraw/zinc/73/44/47/519734447.db2.gz ZLQSURNZDYZUTF-CVEARBPZSA-N 0 3 270.332 2.378 10 0 CEAEHN CC(C)N[C@@H](CCSc1cccs1)C(N)=O ZINC000062597303 519734771 /nfs/dbraw/zinc/73/47/71/519734771.db2.gz PMAIOCDANCYQQZ-VIFPVBQESA-N 0 3 258.412 2.082 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)Nc1cc(C(N)=S)ccn1 ZINC000049560087 519776032 /nfs/dbraw/zinc/77/60/32/519776032.db2.gz UNIOOTGAATUSOK-LBPRGKRZSA-N 0 3 280.441 2.104 10 0 CEAEHN CC(C)[C@@H](C)N(C)Cc1nc(NN)ccc1Cl ZINC000061631005 519791354 /nfs/dbraw/zinc/79/13/54/519791354.db2.gz MAIBGUBPXYRHKK-SECBINFHSA-N 0 3 256.781 2.497 10 0 CEAEHN CC(C)[C@@H](CN(C)C)N1C(=S)N=NC1C1CC1 ZINC000049219764 519794157 /nfs/dbraw/zinc/79/41/57/519794157.db2.gz FQVMYTYUNBOGKH-SNVBAGLBSA-N 0 3 254.403 2.203 10 0 CEAEHN CC(C)[C@H](CN(C)C)NCc1cccc2c1OCCO2 ZINC000049197707 519814609 /nfs/dbraw/zinc/81/46/09/519814609.db2.gz XXJIGMIMHKNXIP-AWEZNQCLSA-N 0 3 278.396 2.134 10 0 CEAEHN CC(C)c1ccc([C@H](N)CN2CCN(C)C2=O)cc1 ZINC000052885707 519840070 /nfs/dbraw/zinc/84/00/70/519840070.db2.gz MTRAALCAUKBPNI-CQSZACIVSA-N 0 3 261.369 2.177 10 0 CEAEHN CC(C)c1ccn(-c2ccc(CNC3CC3)nn2)n1 ZINC000052885341 519848297 /nfs/dbraw/zinc/84/82/97/519848297.db2.gz CHFNNZNDSALIJG-UHFFFAOYSA-N 0 3 257.341 2.038 10 0 CEAEHN CCCN1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054558123 519859951 /nfs/dbraw/zinc/85/99/51/519859951.db2.gz QOHPMNYDPXIIHD-PMPSAXMXSA-N 0 3 268.445 2.200 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1ccc2c(c1)OC[C@@H]2NCC ZINC000062804838 519893813 /nfs/dbraw/zinc/89/38/13/519893813.db2.gz VRPOQCDLOOTPIW-FZMZJTMJSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCNCc1cc(OC)ccc1OCCCC(=O)NC ZINC000068816075 519948693 /nfs/dbraw/zinc/94/86/93/519948693.db2.gz POTWLFYJDHAOBF-UHFFFAOYSA-N 0 3 294.395 2.100 10 0 CEAEHN CCCNCc1ccoc1CN1C[C@H](C)OC[C@@H]1C ZINC000052476362 519958823 /nfs/dbraw/zinc/95/88/23/519958823.db2.gz FZQYLFQFJQPUPL-STQMWFEESA-N 0 3 266.385 2.388 10 0 CEAEHN CCCN[C@@H](c1cc(F)ccc1F)[C@H]1COCCO1 ZINC000055300494 520015650 /nfs/dbraw/zinc/01/56/50/520015650.db2.gz BCJJTMZISSCPGT-KGLIPLIRSA-N 0 3 271.307 2.421 10 0 CEAEHN CCNCc1cnc(N2CCOC(C)(C)C2)c(Cl)c1 ZINC000051447070 520015926 /nfs/dbraw/zinc/01/59/26/520015926.db2.gz ASQUQUMTSOMNRB-UHFFFAOYSA-N 0 3 283.803 2.460 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCCC(=O)NCC)ccc21 ZINC000062805077 520026852 /nfs/dbraw/zinc/02/68/52/520026852.db2.gz BISWEBQFGVBVBD-CQSZACIVSA-N 0 3 292.379 2.025 10 0 CEAEHN CCN[C@@H](CCOc1ccccc1C(C)C)C(N)=O ZINC000062550852 520094552 /nfs/dbraw/zinc/09/45/52/520094552.db2.gz AVZFVQPDIKWKHH-ZDUSSCGKSA-N 0 3 264.369 2.042 10 0 CEAEHN CCCN[C@H]1COc2cc(OCc3cnn(C)c3)ccc21 ZINC000062805066 520098655 /nfs/dbraw/zinc/09/86/55/520098655.db2.gz RUBPGWBODFWNGG-HNNXBMFYSA-N 0 3 287.363 2.432 10 0 CEAEHN CCN[C@@H](c1ccc(OC)c(OC)c1OC)[C@H]1CCOC1 ZINC000048626105 520109838 /nfs/dbraw/zinc/10/98/38/520109838.db2.gz IAWZPUZRGNNEEH-SMDDNHRTSA-N 0 3 295.379 2.400 10 0 CEAEHN CCN[C@@H](c1ccc(OC)cc1C)[C@H]1COCCO1 ZINC000055299987 520111990 /nfs/dbraw/zinc/11/19/90/520111990.db2.gz OGIMAGNULANSMD-CABCVRRESA-N 0 3 265.353 2.070 10 0 CEAEHN CCCN[C@](COc1ccc(C)c(C)c1)(C(N)=O)C1CC1 ZINC000069197325 520124578 /nfs/dbraw/zinc/12/45/78/520124578.db2.gz TWRVXRBDTVDEQG-KRWDZBQOSA-N 0 3 290.407 2.316 10 0 CEAEHN CCCNc1cc(C(=O)N2CCC[C@@H]2CN(C)C)ccn1 ZINC000061656037 520129178 /nfs/dbraw/zinc/12/91/78/520129178.db2.gz KNGCKSPVQSFTPZ-CQSZACIVSA-N 0 3 290.411 2.070 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1ccc(OCC)cc1)C(N)=O ZINC000068655108 520147616 /nfs/dbraw/zinc/14/76/16/520147616.db2.gz PKPWRQBYXYHQJX-LRDDRELGSA-N 0 3 294.395 2.096 10 0 CEAEHN CCN[C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460989 520189736 /nfs/dbraw/zinc/18/97/36/520189736.db2.gz MTXVGNYKRQEYSA-ZIAGYGMSSA-N 0 3 268.401 2.094 10 0 CEAEHN CCN[C@H](CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460989 520189743 /nfs/dbraw/zinc/18/97/43/520189743.db2.gz MTXVGNYKRQEYSA-ZIAGYGMSSA-N 0 3 268.401 2.094 10 0 CEAEHN CCN[C@H]1COc2cc(OCc3cnn(C)c3)ccc21 ZINC000062804676 520220665 /nfs/dbraw/zinc/22/06/65/520220665.db2.gz QCPDXNNBUWECSO-AWEZNQCLSA-N 0 3 273.336 2.042 10 0 CEAEHN CCN[C@H]1COc2cc(OCCOCC)ccc21 ZINC000062804570 520221479 /nfs/dbraw/zinc/22/14/79/520221479.db2.gz NOCAWKWUGIIPEX-ZDUSSCGKSA-N 0 3 251.326 2.145 10 0 CEAEHN CCN[C@H]1c2ccccc2CCC[C@@H]1S(C)(=O)=O ZINC000054930335 520222102 /nfs/dbraw/zinc/22/21/02/520222102.db2.gz QLMIXNYIYVIREE-KBPBESRZSA-N 0 3 267.394 2.087 10 0 CEAEHN CCCOC(=O)c1ccc(NC(=O)C(C)(C)NC)cc1 ZINC000061318558 520224457 /nfs/dbraw/zinc/22/44/57/520224457.db2.gz XTLCZEVEYIPSLT-UHFFFAOYSA-N 0 3 278.352 2.190 10 0 CEAEHN CCCCN(C)C[C@@](NC1CC1)(C(=O)OCC)C1CC1 ZINC000069088888 520413660 /nfs/dbraw/zinc/41/36/60/520413660.db2.gz GGKNVIWLOKWPFY-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCOc1ccccc1OCC[C@H](NC(C)C)C(N)=O ZINC000062544628 520483974 /nfs/dbraw/zinc/48/39/74/520483974.db2.gz AWDQJRWTJWFMSH-ZDUSSCGKSA-N 0 3 294.395 2.096 10 0 CEAEHN CC1(C)COCCN1[C@@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710584 520506982 /nfs/dbraw/zinc/50/69/82/520506982.db2.gz CPONXHAUSXFWLG-LBPRGKRZSA-N 0 3 288.313 2.215 10 0 CEAEHN CCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)NC)cc1 ZINC000061318631 520550987 /nfs/dbraw/zinc/55/09/87/520550987.db2.gz OUYSZNZPAPWRJX-UHFFFAOYSA-N 0 3 291.395 2.105 10 0 CEAEHN CCC[C@H](NC(=O)[C@H](N)CCOC)c1cccs1 ZINC000052810138 521139379 /nfs/dbraw/zinc/13/93/79/521139379.db2.gz AMGZCJJUIKUOCX-MNOVXSKESA-N 0 3 270.398 2.069 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCC(C)(C)CC1)NC1CC1 ZINC000061821988 521147308 /nfs/dbraw/zinc/14/73/08/521147308.db2.gz BHWLZOMUQRCQAM-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1ccc(Cl)cc1CN ZINC000049954660 521216998 /nfs/dbraw/zinc/21/69/98/521216998.db2.gz CDKGYBYTGLPQAR-QMMMGPOBSA-N 0 3 257.717 2.129 10 0 CEAEHN CCCC[C@](CC)(NCCN(CC)CC)C(=O)OC ZINC000069381825 521254788 /nfs/dbraw/zinc/25/47/88/521254788.db2.gz OGIGMAAFHBAWQD-HNNXBMFYSA-N 0 3 272.433 2.430 10 0 CEAEHN CCOc1cccc(CNC)c1OCc1ncccn1 ZINC000054458370 521359658 /nfs/dbraw/zinc/35/96/58/521359658.db2.gz QMBFZKRWBAEEGN-UHFFFAOYSA-N 0 3 273.336 2.174 10 0 CEAEHN CCOc1cccc(C[C@@H](CN)C(=O)N(CC)CC)c1 ZINC000050304792 521380163 /nfs/dbraw/zinc/38/01/63/521380163.db2.gz KKLOTJIIIDILDV-AWEZNQCLSA-N 0 3 278.396 2.071 10 0 CEAEHN CCCC1N=NC(=S)N1[C@H]1CCCN(CC)C1 ZINC000049219365 521569798 /nfs/dbraw/zinc/56/97/98/521569798.db2.gz PWOUCVIJLYGRMK-JTQLQIEISA-N 0 3 254.403 2.176 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC2CCCCCC2)C1 ZINC000052497516 521644815 /nfs/dbraw/zinc/64/48/15/521644815.db2.gz LVSSYZVQBFBBIG-AWEZNQCLSA-N 0 3 267.417 2.493 10 0 CEAEHN CCc1cccc(OC[C@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069196628 521781354 /nfs/dbraw/zinc/78/13/54/521781354.db2.gz WYRXKGZBJRKCPN-QGZVFWFLSA-N 0 3 290.407 2.260 10 0 CEAEHN CCc1cccc(O[C@H](C)C[C@](C)(NC2CC2)C(N)=O)c1 ZINC000068654356 521782216 /nfs/dbraw/zinc/78/22/16/521782216.db2.gz MBSMALPVJGISAL-PXAZEXFGSA-N 0 3 290.407 2.402 10 0 CEAEHN CC[C@@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)N(C)C ZINC000164322052 521818249 /nfs/dbraw/zinc/81/82/49/521818249.db2.gz UJDPVQPASGQBHM-KBPBESRZSA-N 0 3 292.427 2.041 10 0 CEAEHN COCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052808813 521818896 /nfs/dbraw/zinc/81/88/96/521818896.db2.gz WVNVISGPSQVDOE-ZIAGYGMSSA-N 0 3 296.798 2.367 10 0 CEAEHN CCc1ccccc1C[C@@H](CN)C(=O)NC(C)(C)C ZINC000052200802 521846275 /nfs/dbraw/zinc/84/62/75/521846275.db2.gz DHCVTZKCJUNAPQ-AWEZNQCLSA-N 0 3 262.397 2.281 10 0 CEAEHN CC[C@H](C)[C@H](C)NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051112898 521934012 /nfs/dbraw/zinc/93/40/12/521934012.db2.gz WSDCDJMVKLHXLW-YUMQZZPRSA-N 0 3 270.764 2.185 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccccc1OC(F)F ZINC000061300358 521945924 /nfs/dbraw/zinc/94/59/24/521945924.db2.gz QALFRPUXJJFADN-UHFFFAOYSA-N 0 3 258.268 2.225 10 0 CEAEHN CNCc1cc(CN2CCO[C@H]3CCCC[C@@H]32)c(C)o1 ZINC000052573224 522108529 /nfs/dbraw/zinc/10/85/29/522108529.db2.gz AAPKNQJPLMVALH-HOTGVXAUSA-N 0 3 278.396 2.451 10 0 CEAEHN CNCc1cc(Cl)ccc1OCCC(=O)OC ZINC000069316928 522112366 /nfs/dbraw/zinc/11/23/66/522112366.db2.gz AKFDXXQDHWEPRH-UHFFFAOYSA-N 0 3 257.717 2.001 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccnc(Cl)n2)CC1 ZINC000055084606 522136918 /nfs/dbraw/zinc/13/69/18/522136918.db2.gz VRDGWLHZMIYNFF-SNVBAGLBSA-N 0 3 254.765 2.051 10 0 CEAEHN CNCc1ccoc1CN1CCN(c2ccccc2)CC1 ZINC000052417306 522142852 /nfs/dbraw/zinc/14/28/52/522142852.db2.gz BBRSBFNDMVFSKH-UHFFFAOYSA-N 0 3 285.391 2.321 10 0 CEAEHN CNCc1sc(N2CCSCC2)nc1C1CC1 ZINC000069146785 522167717 /nfs/dbraw/zinc/16/77/17/522167717.db2.gz AZUUXYGJZSMFBO-UHFFFAOYSA-N 0 3 269.439 2.293 10 0 CEAEHN COC[C@@H](C)N(C)c1ncc(CNC(C)C)s1 ZINC000054906732 522221905 /nfs/dbraw/zinc/22/19/05/522221905.db2.gz UQUYYNOHQSYOHL-SNVBAGLBSA-N 0 3 257.403 2.112 10 0 CEAEHN CN[C@@H](c1ccc(OC(C)C)cc1)[C@H]1COCCO1 ZINC000055299625 522367928 /nfs/dbraw/zinc/36/79/28/522367928.db2.gz HWHKEQHHFPNUEI-CABCVRRESA-N 0 3 265.353 2.150 10 0 CEAEHN CCc1nc(N2C[C@@H](C)OC[C@@H]2CC)sc1CNC ZINC000055001458 522390684 /nfs/dbraw/zinc/39/06/84/522390684.db2.gz GMGDGWVLCSDRQU-MNOVXSKESA-N 0 3 283.441 2.429 10 0 CEAEHN CN[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000052395924 522439075 /nfs/dbraw/zinc/43/90/75/522439075.db2.gz NBRNGPRDCPCZNO-MRVPVSSYSA-N 0 3 258.724 2.045 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@@H]1CCCCNC1=O ZINC000062746625 522447369 /nfs/dbraw/zinc/44/73/69/522447369.db2.gz WGZIWOPPRQZDPF-ZWNOBZJWSA-N 0 3 280.343 2.154 10 0 CEAEHN CN[C@H](C)c1cnc(N2CCN(C(C)(C)C)CC2)s1 ZINC000054908865 522453730 /nfs/dbraw/zinc/45/37/30/522453730.db2.gz IOSWKWDAHQYXLQ-LLVKDONJSA-N 0 3 282.457 2.344 10 0 CEAEHN CC[C@H](NC(=O)[C@](C)(N)C1CC1)c1cccs1 ZINC000049532198 522518029 /nfs/dbraw/zinc/51/80/29/522518029.db2.gz IKNNULBUPGYKGB-GXFFZTMASA-N 0 3 252.383 2.443 10 0 CEAEHN CN[C@](CSc1ccc(C)c(C)c1)(C(N)=O)C1CC1 ZINC000069187523 522532948 /nfs/dbraw/zinc/53/29/48/522532948.db2.gz HNZXGNFUIZZDGK-HNNXBMFYSA-N 0 3 278.421 2.249 10 0 CEAEHN COc1cc(F)ccc1NC(=O)C1(N)CCCC1 ZINC000049569984 522602531 /nfs/dbraw/zinc/60/25/31/522602531.db2.gz YTLSWENUNJKRFB-UHFFFAOYSA-N 0 3 252.289 2.044 10 0 CEAEHN CNc1ncccc1CN(CCOC)CC(C)C ZINC000052724511 522710337 /nfs/dbraw/zinc/71/03/37/522710337.db2.gz JRBUWXQRHGDWRB-UHFFFAOYSA-N 0 3 251.374 2.228 10 0 CEAEHN CN(Cc1ccc(F)cc1)CC1(CO)CCOCC1 ZINC000052199937 523250789 /nfs/dbraw/zinc/25/07/89/523250789.db2.gz YTEBWGLDWKVADV-UHFFFAOYSA-N 0 3 267.344 2.047 10 0 CEAEHN CCn1c2cc(F)ccc2nc1[C@H](N)CCOC ZINC000052785297 523257524 /nfs/dbraw/zinc/25/75/24/523257524.db2.gz IUDDRZZJRWORJU-SNVBAGLBSA-N 0 3 251.305 2.232 10 0 CEAEHN CCn1c2ccc(F)cc2nc1[C@H](N)CCOC ZINC000052785227 523266187 /nfs/dbraw/zinc/26/61/87/523266187.db2.gz DYYCGSLWTYOGEP-SNVBAGLBSA-N 0 3 251.305 2.232 10 0 CEAEHN CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2CN)C1 ZINC000068602109 523281166 /nfs/dbraw/zinc/28/11/66/523281166.db2.gz RJRMWWIPLWAOLL-TZMCWYRMSA-N 0 3 296.436 2.392 10 0 CEAEHN CC[C@H]1CSC(N[C@H](CC(C)C)CN(C)C)=N1 ZINC000049559158 523356060 /nfs/dbraw/zinc/35/60/60/523356060.db2.gz PDTYFUISSKAAFU-NWDGAFQWSA-N 0 3 257.447 2.434 10 0 CEAEHN CN(Cc1cccnc1C(N)=S)CC(C)(C)C ZINC000061663608 523420583 /nfs/dbraw/zinc/42/05/83/523420583.db2.gz ZKEYPUANYMRICA-UHFFFAOYSA-N 0 3 251.399 2.194 10 0 CEAEHN CN(Cc1ccnc(C(N)=S)c1)C1CCCCC1 ZINC000068751751 523449643 /nfs/dbraw/zinc/44/96/43/523449643.db2.gz SFCHDITYANKSQU-UHFFFAOYSA-N 0 3 263.410 2.480 10 0 CEAEHN CN(Cc1ccsc1)Cc1ccnc(C(=N)N)c1 ZINC000068761140 523487682 /nfs/dbraw/zinc/48/76/82/523487682.db2.gz NYMAMDJWWUAROQ-UHFFFAOYSA-N 0 3 260.366 2.059 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C)c(CN)o1 ZINC000052571053 523507505 /nfs/dbraw/zinc/50/75/05/523507505.db2.gz ZUZDWXQIIPBKFR-NWDGAFQWSA-N 0 3 252.358 2.046 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1c1nc(C2CC2)c(CN)s1 ZINC000069181388 523520600 /nfs/dbraw/zinc/52/06/00/523520600.db2.gz HGNVDLLRTKUSQI-MWLCHTKSSA-N 0 3 281.425 2.483 10 0 CEAEHN CC[C@@](C)(CO)CN1CCN(c2ccccc2OC)CC1 ZINC000051292268 523639678 /nfs/dbraw/zinc/63/96/78/523639678.db2.gz KGKGDYFQLFDVIH-QGZVFWFLSA-N 0 3 292.423 2.226 10 0 CEAEHN COCCN(Cc1ccoc1CNC1CC1)[C@H](C)COC ZINC000052572353 523770433 /nfs/dbraw/zinc/77/04/33/523770433.db2.gz QRZJVIHLSQOSLM-CYBMUJFWSA-N 0 3 296.411 2.015 10 0 CEAEHN COC(=O)[C@@](N)(CN1CCCC(C)(C)C1)c1ccccc1 ZINC000069517151 523825377 /nfs/dbraw/zinc/82/53/77/523825377.db2.gz IIGWEOVQVLXNGZ-QGZVFWFLSA-N 0 3 290.407 2.136 10 0 CEAEHN COc1ccc(C)cc1[C@]([O-])([C@@H](C)[NH3+])C(F)(F)F ZINC000062784626 523859994 /nfs/dbraw/zinc/85/99/94/523859994.db2.gz TWZZUEYCMASYCK-LDYMZIIASA-N 0 3 263.259 2.101 10 0 CEAEHN CCc1ccc(C(=O)N2[C@@H](C)CNC[C@@H]2C)s1 ZINC000069133139 523888194 /nfs/dbraw/zinc/88/81/94/523888194.db2.gz UGDAJJJPQFFDKB-UWVGGRQHSA-N 0 3 252.383 2.133 10 0 CEAEHN COCCNC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000055030664 523940907 /nfs/dbraw/zinc/94/09/07/523940907.db2.gz VQLAAEYJTXEBRW-LLVKDONJSA-N 0 3 264.152 2.263 10 0 CEAEHN COCCNC[C@](C)(O)c1ccc(C(F)(F)F)cc1 ZINC000055033662 523944472 /nfs/dbraw/zinc/94/44/72/523944472.db2.gz UGTAKLZXAKWOCE-LBPRGKRZSA-N 0 3 277.286 2.149 10 0 CEAEHN COCCNCc1ccccc1N1CCCSCC1 ZINC000062736838 523955518 /nfs/dbraw/zinc/95/55/18/523955518.db2.gz UVTUSIWNMISXMJ-UHFFFAOYSA-N 0 3 280.437 2.366 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2cccc(C(N)=S)c2)CC1 ZINC000055066721 523957239 /nfs/dbraw/zinc/95/72/39/523957239.db2.gz CVNOWEFFCJSRNB-ZDUSSCGKSA-N 0 3 291.464 2.237 10 0 CEAEHN CC[C@H](C)N1CCN([C@H](CN)c2ccc(C)o2)CC1 ZINC000055064070 523959438 /nfs/dbraw/zinc/95/94/38/523959438.db2.gz PQQYXDSCBQZTQE-GXTWGEPZSA-N 0 3 265.401 2.004 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccnc(Cl)n2)CC1 ZINC000055084608 523960068 /nfs/dbraw/zinc/96/00/68/523960068.db2.gz VRDGWLHZMIYNFF-JTQLQIEISA-N 0 3 254.765 2.051 10 0 CEAEHN COCCOc1ccc(NC(=O)[C@H]2CCC[C@@H](C)N2)cc1 ZINC000066146432 524048938 /nfs/dbraw/zinc/04/89/38/524048938.db2.gz MTMSAUJWOGEYGG-IUODEOHRSA-N 0 3 292.379 2.181 10 0 CEAEHN CNC(=O)CCOc1c(CNC(C)(C)C)cccc1OC ZINC000062732246 524069611 /nfs/dbraw/zinc/06/96/11/524069611.db2.gz WEHHJXMCPCCCMJ-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN COc1ccc(CN[C@H](CN(C)C)c2ccccc2)cn1 ZINC000158035175 524090306 /nfs/dbraw/zinc/09/03/06/524090306.db2.gz DDGXVBDMFRKTNO-MRXNPFEDSA-N 0 3 285.391 2.483 10 0 CEAEHN C[C@H](CN1CCCC1)NCC(=O)Nc1ccc(Cl)cc1 ZINC000049180341 524315665 /nfs/dbraw/zinc/31/56/65/524315665.db2.gz UTLFOGPFULIGQR-GFCCVEGCSA-N 0 3 295.814 2.352 10 0 CEAEHN C[C@H](CN1CCCCC1)Nc1ncccc1C(N)=S ZINC000049502467 524336898 /nfs/dbraw/zinc/33/68/98/524336898.db2.gz RQFLZCBSGQQRRE-LLVKDONJSA-N 0 3 278.425 2.002 10 0 CEAEHN COc1ccc(N(C)C(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000061613230 524342461 /nfs/dbraw/zinc/34/24/61/524342461.db2.gz FMYKDNSBKQQYBH-INIZCTEOSA-N 0 3 284.359 2.401 10 0 CEAEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(Cl)cc1N ZINC000050443140 524342531 /nfs/dbraw/zinc/34/25/31/524342531.db2.gz ARFOSESMCWBTEG-GXSJLCMTSA-N 0 3 281.787 2.008 10 0 CEAEHN Cc1ccc(CN)cc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000050430628 524424214 /nfs/dbraw/zinc/42/42/14/524424214.db2.gz NPEOOIHMLFPYSF-MRXNPFEDSA-N 0 3 282.343 2.396 10 0 CEAEHN C[C@@H](CCn1cccn1)N[C@H]1COc2ccccc21 ZINC000183895622 524554237 /nfs/dbraw/zinc/55/42/37/524554237.db2.gz ANUZMQXBHCLMCB-JSGCOSHPSA-N 0 3 257.337 2.385 10 0 CEAEHN C[C@H]1CN(Cc2ccoc2CNC2CC2)C[C@H](C)O1 ZINC000052380453 524639855 /nfs/dbraw/zinc/63/98/55/524639855.db2.gz QYLCBSZDBYFHPO-RYUDHWBXSA-N 0 3 264.369 2.141 10 0 CEAEHN Cc1cc(CN)nc(-c2ccc3ncccc3c2)n1 ZINC000062802631 524672342 /nfs/dbraw/zinc/67/23/42/524672342.db2.gz XLGLYFVGWSBASO-UHFFFAOYSA-N 0 3 250.305 2.459 10 0 CEAEHN C[C@H](Cc1c(F)cccc1F)NCc1c[nH]cn1 ZINC000054765054 524688465 /nfs/dbraw/zinc/68/84/65/524688465.db2.gz WFIWDIFZMUPDMO-SECBINFHSA-N 0 3 251.280 2.409 10 0 CEAEHN C[C@H](Cc1c(F)cccc1F)NCc1cnc[nH]1 ZINC000054765054 524688472 /nfs/dbraw/zinc/68/84/72/524688472.db2.gz WFIWDIFZMUPDMO-SECBINFHSA-N 0 3 251.280 2.409 10 0 CEAEHN Cc1cc(CNC(C)(C)C)nc(-c2ncccn2)n1 ZINC000054832055 524751858 /nfs/dbraw/zinc/75/18/58/524751858.db2.gz DGOLCERJPKGSBX-UHFFFAOYSA-N 0 3 257.341 2.130 10 0 CEAEHN Cc1cc(CN[C@@H](C)C(=O)N2CCCCC2)c(C)n1C ZINC000052790357 524764886 /nfs/dbraw/zinc/76/48/86/524764886.db2.gz BSKSPJPDVHNVDU-ZDUSSCGKSA-N 0 3 277.412 2.133 10 0 CEAEHN Cc1cccc(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1C ZINC000068655472 524777543 /nfs/dbraw/zinc/77/75/43/524777543.db2.gz NWWRKMDTJFWBGT-YVEFUNNKSA-N 0 3 290.407 2.457 10 0 CEAEHN Cc1cc(C[C@@H](CN)C(=O)N2CCCCC2)cc(C)c1O ZINC000050304990 524828791 /nfs/dbraw/zinc/82/87/91/524828791.db2.gz QVUXHWVVGNGNBF-HNNXBMFYSA-N 0 3 290.407 2.139 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)COC2CCC2)c1 ZINC000050520242 524885756 /nfs/dbraw/zinc/88/57/56/524885756.db2.gz BCGMTYRJLOVJQX-ZDUSSCGKSA-N 0 3 251.326 2.273 10 0 CEAEHN COc1ccc(OC)c([C@@H](O)[C@@H](N)c2ccccc2)c1 ZINC000054681797 524888301 /nfs/dbraw/zinc/88/83/01/524888301.db2.gz JTHMFMOJIWBYNS-JKSUJKDBSA-N 0 3 273.332 2.437 10 0 CEAEHN C[C@H]1C[C@H]1NCC(=O)Nc1ccc(Br)cc1 ZINC000052287725 524963398 /nfs/dbraw/zinc/96/33/98/524963398.db2.gz SVMXRQCHIPDCJI-GZMMTYOYSA-N 0 3 283.169 2.386 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ncc(Cl)n1C ZINC000375791285 525081596 /nfs/dbraw/zinc/08/15/96/525081596.db2.gz LSSAIZUYCQPKML-VXGBXAGGSA-N 0 3 282.819 2.132 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)/C=C/c1ccc(F)cc1 ZINC000069132960 525095203 /nfs/dbraw/zinc/09/52/03/525095203.db2.gz BUCPINGFVUJJEW-ZOUVEMKTSA-N 0 3 262.328 2.048 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000069132929 525101618 /nfs/dbraw/zinc/10/16/18/525101618.db2.gz MYRBKOOPKPBUIU-KNVOCYPGSA-N 0 3 276.167 2.144 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)Nc1ccc(F)cc1 ZINC000069133502 525102046 /nfs/dbraw/zinc/10/20/46/525102046.db2.gz ACRCYZZCXHCIQT-AOOOYVTPSA-N 0 3 251.305 2.040 10 0 CEAEHN CS(=O)(=O)[C@H](c1ccccc1)[C@H](N)Cc1ccccc1 ZINC000054930070 525235223 /nfs/dbraw/zinc/23/52/23/525235223.db2.gz HNQWEKPDGGIRND-HZPDHXFCSA-N 0 3 289.400 2.342 10 0 CEAEHN Cc1ccccc1O[C@@H](C)C[C@](C)(NC(C)C)C(N)=O ZINC000068656365 525320909 /nfs/dbraw/zinc/32/09/09/525320909.db2.gz RSEQDBYOVFERSA-BBRMVZONSA-N 0 3 278.396 2.394 10 0 CEAEHN Cc1ccc(OC[C@](NC(C)C)(C(N)=O)C2CC2)c(C)c1 ZINC000069196988 525443136 /nfs/dbraw/zinc/44/31/36/525443136.db2.gz GHMVSZJNLDNOQK-QGZVFWFLSA-N 0 3 290.407 2.314 10 0 CEAEHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(-n2cncn2)cc1 ZINC000183675524 525639798 /nfs/dbraw/zinc/63/97/98/525639798.db2.gz MDURWOVGUGUULV-CQDKDKBSSA-N 0 3 286.379 2.077 10 0 CEAEHN Cc1c(CNC2CC2)cnn1[C@@H]1CCCCC[C@@H]1O ZINC000054600507 525721869 /nfs/dbraw/zinc/72/18/69/525721869.db2.gz KARPVDIJKPVQDU-CABCVRRESA-N 0 3 263.385 2.310 10 0 CEAEHN Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(CN)c2)o1 ZINC000049204507 525738494 /nfs/dbraw/zinc/73/84/94/525738494.db2.gz HVIMLBAMIJWXNH-LLVKDONJSA-N 0 3 294.376 2.086 10 0 CEAEHN Cc1c(N)cccc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000049550940 525818822 /nfs/dbraw/zinc/81/88/22/525818822.db2.gz LIOLVGQADHRBEC-ZDUSSCGKSA-N 0 3 277.412 2.283 10 0 CEAEHN C[C@@H](c1cccc(Br)c1)N1CC[C@H](N)C1=O ZINC000049660379 526065834 /nfs/dbraw/zinc/06/58/34/526065834.db2.gz BMFOJPZNDZRKGP-KWQFWETISA-N 0 3 283.169 2.070 10 0 CEAEHN COc1cccc(N(C)Cc2ccnc(C(=N)N)c2)c1 ZINC000068761757 526131804 /nfs/dbraw/zinc/13/18/04/526131804.db2.gz XNLIAUSQJNUZDL-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN C[C@@H](c1cccs1)N(C)Cc1cc(CN)no1 ZINC000052506779 526144129 /nfs/dbraw/zinc/14/41/29/526144129.db2.gz HLQBUHZNCIOYAQ-VIFPVBQESA-N 0 3 251.355 2.388 10 0 CEAEHN C[C@H]1CCCCN1C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051095401 526245412 /nfs/dbraw/zinc/24/54/12/526245412.db2.gz BLLYSUKGKVFJJG-QMMMGPOBSA-N 0 3 268.748 2.035 10 0 CEAEHN Cc1nn(Cc2ccnc(CN)c2)c(C)c1Cl ZINC000068751049 526298420 /nfs/dbraw/zinc/29/84/20/526298420.db2.gz VZIAQEDFAYRSJW-UHFFFAOYSA-N 0 3 250.733 2.055 10 0 CEAEHN O=C(c1ccc2c(c1)CNC2)N1CCO[C@H]2CCCC[C@H]21 ZINC000156712026 526723975 /nfs/dbraw/zinc/72/39/75/526723975.db2.gz FEXNTYZQFGNJBD-CVEARBPZSA-N 0 3 286.375 2.073 10 0 CEAEHN O=C(c1ccc2ncsc2c1)N1CCN2CCC[C@@H]2C1 ZINC000049515909 526740852 /nfs/dbraw/zinc/74/08/52/526740852.db2.gz TYCXBUZNEIBIPA-GFCCVEGCSA-N 0 3 287.388 2.217 10 0 CEAEHN N=C(N)c1ncccc1COc1ccc(F)cc1F ZINC000061658631 526825808 /nfs/dbraw/zinc/82/58/08/526825808.db2.gz MKXOXHLOTPIICH-UHFFFAOYSA-N 0 3 263.247 2.223 10 0 CEAEHN Cc1nc(CN(C)c2nc(C)c(CN)s2)cs1 ZINC000054999821 526846829 /nfs/dbraw/zinc/84/68/29/526846829.db2.gz CXLSMECIDDUXPE-UHFFFAOYSA-N 0 3 268.411 2.312 10 0 CEAEHN Cc1nc(COc2ccc3c(c2)OC[C@@H]3N)cs1 ZINC000062803755 526908939 /nfs/dbraw/zinc/90/89/39/526908939.db2.gz GPEIHKPLKUWIFV-LBPRGKRZSA-N 0 3 262.334 2.423 10 0 CEAEHN Cc1nc(C[C@@H]2CCCO2)nc(C)c1CNC1CC1 ZINC000054854384 526919184 /nfs/dbraw/zinc/91/91/84/526919184.db2.gz PLGLEJZVEQJGIX-ZDUSSCGKSA-N 0 3 261.369 2.067 10 0 CEAEHN Cc1nc(Cl)cc(N2CCN(C(C)(C)C)CC2)n1 ZINC000052836540 526933445 /nfs/dbraw/zinc/93/34/45/526933445.db2.gz FOAPBNNMNHFWRM-UHFFFAOYSA-N 0 3 268.792 2.359 10 0 CEAEHN Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1CNC1CC1 ZINC000054995460 526973939 /nfs/dbraw/zinc/97/39/39/526973939.db2.gz HNQHPGCVONJHEX-AOOOYVTPSA-N 0 3 281.425 2.317 10 0 CEAEHN NC(=O)[C@@](CSc1ccccc1)(NC1CC1)C1CC1 ZINC000069185555 526989606 /nfs/dbraw/zinc/98/96/06/526989606.db2.gz RWSYOAXDUDUEPK-HNNXBMFYSA-N 0 3 276.405 2.165 10 0 CEAEHN Cn1c2ccc([C@H](N)c3cccc(F)c3F)cc2oc1=O ZINC000054205491 527107282 /nfs/dbraw/zinc/10/72/82/527107282.db2.gz QZGYZXZAFLLURH-AWEZNQCLSA-N 0 3 290.269 2.458 10 0 CEAEHN NC[C@@H](c1ccc(F)cc1)N(CCO)Cc1ccccc1 ZINC000050514067 527207548 /nfs/dbraw/zinc/20/75/48/527207548.db2.gz IQGULOZMAOBQKF-KRWDZBQOSA-N 0 3 288.366 2.320 10 0 CEAEHN NC[C@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)c1ccccc1 ZINC000061612155 527222860 /nfs/dbraw/zinc/22/28/60/527222860.db2.gz ZQZYEEQHCLVXFE-HOCLYGCPSA-N 0 3 283.375 2.421 10 0 CEAEHN NC[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000061610672 527224014 /nfs/dbraw/zinc/22/40/14/527224014.db2.gz WIZMFXZKSUWBBV-HNNXBMFYSA-N 0 3 254.333 2.045 10 0 CEAEHN NCc1cc(CSc2nnc3n2CCCCC3)ccn1 ZINC000068752157 527248002 /nfs/dbraw/zinc/24/80/02/527248002.db2.gz NPFIOOJQFZFQPS-UHFFFAOYSA-N 0 3 289.408 2.151 10 0 CEAEHN NCc1cc(Cl)ccc1N1CCC[C@@H](CO)C1 ZINC000052856916 527249025 /nfs/dbraw/zinc/24/90/25/527249025.db2.gz DSWUYFSWGZXIAN-SNVBAGLBSA-N 0 3 254.761 2.007 10 0 CEAEHN NCc1cnc(N2CCN(c3ccc(F)cc3)CC2)s1 ZINC000054864578 527262233 /nfs/dbraw/zinc/26/22/33/527262233.db2.gz MVXXLMOJNLXGCB-UHFFFAOYSA-N 0 3 292.383 2.068 10 0 CEAEHN NCc1sc2ccccc2c1CN1CCOCC1 ZINC000052377834 527268978 /nfs/dbraw/zinc/26/89/78/527268978.db2.gz NRONGWONNYPKSB-UHFFFAOYSA-N 0 3 262.378 2.192 10 0 CEAEHN NNc1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1 ZINC000051090040 527273179 /nfs/dbraw/zinc/27/31/79/527273179.db2.gz QJOHGHOYVPBFFJ-UHFFFAOYSA-N 0 3 282.225 2.037 10 0 CEAEHN NN=c1cc(C(=O)Nc2ccc(F)c(F)c2F)cc[nH]1 ZINC000051090040 527273184 /nfs/dbraw/zinc/27/31/84/527273184.db2.gz QJOHGHOYVPBFFJ-UHFFFAOYSA-N 0 3 282.225 2.037 10 0 CEAEHN NNc1cc(C(=O)Nc2ccccc2Cl)ccn1 ZINC000051096459 527274128 /nfs/dbraw/zinc/27/41/28/527274128.db2.gz QBJRMXGNTAAYAG-UHFFFAOYSA-N 0 3 262.700 2.273 10 0 CEAEHN NN=c1cc(C(=O)Nc2ccccc2Cl)cc[nH]1 ZINC000051096459 527274132 /nfs/dbraw/zinc/27/41/32/527274132.db2.gz QBJRMXGNTAAYAG-UHFFFAOYSA-N 0 3 262.700 2.273 10 0 CEAEHN Cc1ncc(COc2ccc3c(c2)OC[C@@H]3N)s1 ZINC000062803415 527283691 /nfs/dbraw/zinc/28/36/91/527283691.db2.gz NUUIMZPVMYPJOS-LBPRGKRZSA-N 0 3 262.334 2.423 10 0 CEAEHN NN=c1nc(N2CCCCCC2)[nH]c2c1CCCC2 ZINC000051153373 527285539 /nfs/dbraw/zinc/28/55/39/527285539.db2.gz HYXJQRLDVBFJSM-UHFFFAOYSA-N 0 3 261.373 2.021 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000069136520 527301039 /nfs/dbraw/zinc/30/10/39/527301039.db2.gz YBVNRCGBANIQRR-VWYCJHECSA-N 0 3 299.358 2.274 10 0 CEAEHN N[C@@H]1CCCc2nc(N3CCSCC3)sc21 ZINC000054894776 527362770 /nfs/dbraw/zinc/36/27/70/527362770.db2.gz OZIJYEPYZHWOED-MRVPVSSYSA-N 0 3 255.412 2.032 10 0 CEAEHN N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069405646 527377558 /nfs/dbraw/zinc/37/75/58/527377558.db2.gz LNKZQVHJUYGNKY-LXZKKBNFSA-N 0 3 288.391 2.077 10 0 CEAEHN Nc1ccc(F)cc1CN1CCC[C@@H]1CCCO ZINC000052756952 527489842 /nfs/dbraw/zinc/48/98/42/527489842.db2.gz VBLBUZXNMKGJCE-CYBMUJFWSA-N 0 3 252.333 2.145 10 0 CEAEHN FC(F)(F)CO[C@@H]1CCC[C@H](NCc2ccncn2)C1 ZINC000054789532 527671796 /nfs/dbraw/zinc/67/17/96/527671796.db2.gz GOYVXJXBYDUSAB-CMPLNLGQSA-N 0 3 289.301 2.456 10 0 CEAEHN Cc1nn(C)c(N2CCCO[C@H](C)C2)c1CNCC(C)C ZINC000062738343 527676122 /nfs/dbraw/zinc/67/61/22/527676122.db2.gz FDDTTWPIUSPDPQ-CYBMUJFWSA-N 0 3 294.443 2.089 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189636028 528414984 /nfs/dbraw/zinc/41/49/84/528414984.db2.gz ITKISCRTWYOIIS-GFCCVEGCSA-N 0 3 255.406 2.157 10 0 CEAEHN CCOCCN1CCN(CCc2scnc2C)C[C@@H]1C ZINC000172535571 528750151 /nfs/dbraw/zinc/75/01/51/528750151.db2.gz FRJAHBCDBVLSFQ-ZDUSSCGKSA-N 0 3 297.468 2.037 10 0 CEAEHN CCC(N)(CC)C(=O)N1CCCc2cccc(OC)c21 ZINC000094244876 535183196 /nfs/dbraw/zinc/18/31/96/535183196.db2.gz UDFCIIRRSAOMHP-UHFFFAOYSA-N 0 3 276.380 2.492 10 0 CEAEHN CN[C@@H]1CCCN(c2ccc(F)c(Cl)c2)C1=O ZINC000071038974 536365887 /nfs/dbraw/zinc/36/58/87/536365887.db2.gz HUJWOHSVLLLKGX-LLVKDONJSA-N 0 3 256.708 2.194 10 0 CEAEHN COC(=O)[C@@H](C)[C@@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000093036264 536442572 /nfs/dbraw/zinc/44/25/72/536442572.db2.gz LDMKKGXILAFFBU-LSDHHAIUSA-N 0 3 290.407 2.315 10 0 CEAEHN O[C@@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1NCC4)OCO3 ZINC000014615642 560223155 /nfs/dbraw/zinc/22/31/55/560223155.db2.gz CKIYSMRPIBQTHQ-JKSUJKDBSA-N 0 3 281.311 2.316 10 0 in-vitro CEAEHN OCCN1CCC[C@@H](NCc2cccc(Cl)c2F)C1 ZINC000384794652 574842247 /nfs/dbraw/zinc/84/22/47/574842247.db2.gz XKMLALVNSVIWBD-GFCCVEGCSA-N 0 3 286.778 2.025 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC2(CC1)CNCC(C)(C)O2 ZINC000725273145 570263663 /nfs/dbraw/zinc/26/36/63/570263663.db2.gz ZOLJMDHJQOTOLB-UHFFFAOYSA-N 0 3 284.400 2.155 10 0 CEAEHN FC1(F)CCCC[C@@H]1CN1CCC2(C1)OCCO2 ZINC000306904555 622845299 /nfs/dbraw/zinc/84/52/99/622845299.db2.gz KBASGCUSIGSYCC-LLVKDONJSA-N 0 3 261.312 2.261 10 0 CEAEHN Cc1cnc([C@@H](C)NC(=O)[C@H](N)CC2CCCCC2)o1 ZINC000261778498 623458369 /nfs/dbraw/zinc/45/83/69/623458369.db2.gz PHXNXBFQIMWHNB-DGCLKSJQSA-N 0 3 279.384 2.458 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cc(Cl)cs2)C1 ZINC000165936408 627627193 /nfs/dbraw/zinc/62/71/93/627627193.db2.gz DFYGDMRYSYOFMQ-NSHDSACASA-N 0 3 274.817 2.212 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000236898006 628740478 /nfs/dbraw/zinc/74/04/78/628740478.db2.gz UXSFVEXHFZWPMB-TVQRCGJNSA-N 0 3 278.352 2.094 10 0 CEAEHN N[C@H](C(=O)NCCCC1CCCCC1)C1CCOCC1 ZINC000261782755 629209069 /nfs/dbraw/zinc/20/90/69/629209069.db2.gz NBZBNTWHVDAFOS-HNNXBMFYSA-N 0 3 282.428 2.217 10 0 CEAEHN Cc1sc([C@@H]2N[C@@H](C)CC[C@@H]2C[NH3+])cc1C(=O)[O-] ZINC000757238176 631838187 /nfs/dbraw/zinc/83/81/87/631838187.db2.gz RNKSFGIKYZDPHW-LPBBDHJYSA-N 0 3 268.382 2.143 10 0 CEAEHN Cc1ccc(CCC(=O)N[C@H]2CN3CCC2CC3)cc1 ZINC000222568671 639383242 /nfs/dbraw/zinc/38/32/42/639383242.db2.gz DHZOMBSZUMVFIT-INIZCTEOSA-N 0 3 272.392 2.138 10 0 CEAEHN C[C@H]1CCCN1c1nc(-c2cccnc2)nc2c1CCNC2 ZINC000071753860 641804715 /nfs/dbraw/zinc/80/47/15/641804715.db2.gz XDVKQEANEDWRRX-LBPRGKRZSA-N 0 3 295.390 2.173 10 0 CEAEHN Brc1ccc(-c2noc([C@@H]3CCCN3)n2)nc1 ZINC000129851495 652185639 /nfs/dbraw/zinc/18/56/39/652185639.db2.gz MFLFOHXFINJAPB-VIFPVBQESA-N 0 3 295.140 2.319 10 0 CEAEHN Cc1nc2ccccc2nc1N1CCN2CCC[C@@H]2C1 ZINC000192806401 282088228 /nfs/dbraw/zinc/08/82/28/282088228.db2.gz VJKKEBYURUOMML-CYBMUJFWSA-N 0 3 268.364 2.223 10 0 CEAEHN NNc1ccc(Cl)c(CSc2cnccn2)n1 ZINC000082433618 178010422 /nfs/dbraw/zinc/01/04/22/178010422.db2.gz SGIXYTNREBULFY-UHFFFAOYSA-N 0 3 267.745 2.103 10 0 CEAEHN CS(=O)(=O)CCS[C@@H](CN)c1ccc(Cl)s1 ZINC000082516887 178079016 /nfs/dbraw/zinc/07/90/16/178079016.db2.gz AJJXJIDLECGHRI-QMMMGPOBSA-N 0 3 299.870 2.179 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000121254266 365542470 /nfs/dbraw/zinc/54/24/70/365542470.db2.gz QBNXRGXOXDTVHZ-SNVBAGLBSA-N 0 3 270.735 2.255 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)NCCCN(C)Cc2ccccc2)O1 ZINC000124641875 187147247 /nfs/dbraw/zinc/14/72/47/187147247.db2.gz DAQOGKMAZGBEKN-ZBFHGGJFSA-N 0 3 290.407 2.192 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000034939068 361797692 /nfs/dbraw/zinc/79/76/92/361797692.db2.gz BHUOJUTVIWWRLN-GZMMTYOYSA-N 0 3 251.717 2.266 10 0 CEAEHN CSCC[C@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939145 361798869 /nfs/dbraw/zinc/79/88/69/361798869.db2.gz VAAKPWVJPWBAEC-QMMMGPOBSA-N 0 3 279.365 2.087 10 0 CEAEHN CC(C)CCN(C[C@](N)(CO)c1ccccc1)C1CC1 ZINC000096836927 185115120 /nfs/dbraw/zinc/11/51/20/185115120.db2.gz XNXBSJJQGVUHFP-KRWDZBQOSA-N 0 3 276.424 2.343 10 0 CEAEHN CC(C)N1CCN(Cc2cc(N)ccc2Cl)CC1 ZINC000036170466 361834662 /nfs/dbraw/zinc/83/46/62/361834662.db2.gz HNWXMLNQZQAOAO-UHFFFAOYSA-N 0 3 267.804 2.448 10 0 CEAEHN C[C@H]1CC[C@H](N2CCC3(CC2)CCS(=O)(=O)CC3)C1 ZINC000334242176 290633978 /nfs/dbraw/zinc/63/39/78/290633978.db2.gz QDVPEVNMHTWYQQ-KBPBESRZSA-N 0 3 285.453 2.466 10 0 CEAEHN NC[C@H]1CN(Cc2ccccc2)c2ccccc2O1 ZINC000038999773 361986829 /nfs/dbraw/zinc/98/68/29/361986829.db2.gz IWRIXOAXBXJVAH-AWEZNQCLSA-N 0 3 254.333 2.413 10 0 CEAEHN Cc1cc(NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2n1 ZINC000037982227 361971139 /nfs/dbraw/zinc/97/11/39/361971139.db2.gz GOBPKLGDJHZCBU-LBPRGKRZSA-N 0 3 290.388 2.390 10 0 CEAEHN C[C@H]1CC[C@](N)(c2ncc(Br)cn2)C1 ZINC000307494532 539169492 /nfs/dbraw/zinc/16/94/92/539169492.db2.gz LPCGFQKTOAZTKV-OIBJUYFYSA-N 0 3 256.147 2.213 10 0 CEAEHN N[C@@H]1C[C@]12CNc1c2cc(Br)cc1Cl ZINC000725247492 539192605 /nfs/dbraw/zinc/19/26/05/539192605.db2.gz OJVUEEFXZFAXMS-PSASIEDQSA-N 0 3 273.561 2.497 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1ccccc1OC(F)(F)F ZINC000040855962 362006523 /nfs/dbraw/zinc/00/65/23/362006523.db2.gz PORNBZSSBUYUJP-SNVBAGLBSA-N 0 3 290.285 2.329 10 0 CEAEHN c1ccc(N2CCNCC2)c(OCc2cccnc2)c1 ZINC000043461320 362145761 /nfs/dbraw/zinc/14/57/61/362145761.db2.gz XFAQTRVGHUKGPS-UHFFFAOYSA-N 0 3 269.348 2.070 10 0 CEAEHN COc1ccccc1OC[C@H](O)CNCc1ccccc1 ZINC000032139956 343411937 /nfs/dbraw/zinc/41/19/37/343411937.db2.gz QJDRQGLCRGLWJM-OAHLLOKOSA-N 0 3 287.359 2.225 10 0 CEAEHN Cc1ccc([C@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)o1 ZINC000127870746 187337951 /nfs/dbraw/zinc/33/79/51/187337951.db2.gz ZCKCOVWAIAJSLH-NWDGAFQWSA-N 0 3 299.392 2.075 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000037003424 343425008 /nfs/dbraw/zinc/42/50/08/343425008.db2.gz NVAHFLMXQMNKNF-IUODEOHRSA-N 0 3 286.379 2.243 10 0 CEAEHN CCCOc1cccc(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000128194270 187356700 /nfs/dbraw/zinc/35/67/00/187356700.db2.gz OAPJWRVDSPEZSC-KRWDZBQOSA-N 0 3 292.423 2.238 10 0 CEAEHN CN(Cc1ccccc1)C[C@@H](O)CN(CC(F)F)C1CC1 ZINC000106936278 344259735 /nfs/dbraw/zinc/25/97/35/344259735.db2.gz RRKCRIVJMOFNRX-OAHLLOKOSA-N 0 3 298.377 2.209 10 0 CEAEHN COc1ccc2c(c1)CCN[C@@H]2CN1CCCCC1 ZINC000113592169 344277468 /nfs/dbraw/zinc/27/74/68/344277468.db2.gz NJMCQINNLWKANS-MRXNPFEDSA-N 0 3 260.381 2.368 10 0 CEAEHN CSc1cccc(NC(=O)C(C)(C)N2CCNCC2)c1 ZINC000129572493 344345015 /nfs/dbraw/zinc/34/50/15/344345015.db2.gz SRZVWQHIOSJBBR-UHFFFAOYSA-N 0 3 293.436 2.031 10 0 CEAEHN CCOc1cc(C)nc(N2CCN(C3CCCC3)CC2)n1 ZINC000121536060 344303175 /nfs/dbraw/zinc/30/31/75/344303175.db2.gz RGNLEXXJNLHFQE-UHFFFAOYSA-N 0 3 290.411 2.248 10 0 CEAEHN Cc1ccc(Br)c(NC(=O)[C@@H](C)N)c1 ZINC000134864851 344377845 /nfs/dbraw/zinc/37/78/45/344377845.db2.gz VFVGWIWFIZKPRQ-SSDOTTSWSA-N 0 3 257.131 2.043 10 0 CEAEHN CCOC(=O)c1ccc(NC(=O)[C@]2(C)CCCCN2)cc1 ZINC000136130488 344384169 /nfs/dbraw/zinc/38/41/69/344384169.db2.gz XAZOGGILUYSRJZ-INIZCTEOSA-N 0 3 290.363 2.334 10 0 CEAEHN COc1ccc2oc(Cc3cccnc3)c([O-])c2c1 ZINC000137411288 344388054 /nfs/dbraw/zinc/38/80/54/344388054.db2.gz PMZCPMAZTLGQLT-CQSZACIVSA-N 0 3 255.273 2.277 10 0 CEAEHN COc1ccc2c(c1)C(=O)C(Cc1cccnc1)O2 ZINC000137411288 344388056 /nfs/dbraw/zinc/38/80/56/344388056.db2.gz PMZCPMAZTLGQLT-CQSZACIVSA-N 0 3 255.273 2.277 10 0 CEAEHN C[C@H](NC(=O)NC[C@H]1CCCN1C)c1cccs1 ZINC000139379448 344393560 /nfs/dbraw/zinc/39/35/60/344393560.db2.gz OFQBAGCVRHCJCB-WDEREUQCSA-N 0 3 267.398 2.203 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCN2C)o1 ZINC000139395661 344393651 /nfs/dbraw/zinc/39/36/51/344393651.db2.gz OQYWSFDRPWFGCS-RYUDHWBXSA-N 0 3 265.357 2.042 10 0 CEAEHN CCCC[C@H](CC)CN1CCC(=O)[C@@H](C(=O)OC)C1 ZINC000169676076 344481985 /nfs/dbraw/zinc/48/19/85/344481985.db2.gz LTRLWTREJPLHDV-STQMWFEESA-N 0 3 269.385 2.267 10 0 CEAEHN CCCCS[C@@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170864617 344491647 /nfs/dbraw/zinc/49/16/47/344491647.db2.gz FLIKDMSABDSWOU-NWDGAFQWSA-N 0 3 258.431 2.071 10 0 CEAEHN Cc1cnn(CCNCc2ccc3[nH]ccc3c2)c1 ZINC000236009250 344593538 /nfs/dbraw/zinc/59/35/38/344593538.db2.gz NJXNWIZFTBBLOP-UHFFFAOYSA-N 0 3 254.337 2.463 10 0 CEAEHN Cn1ncc(Br)c1[C@H](N)[C@@H]1CC1(C)C ZINC000236088376 344594352 /nfs/dbraw/zinc/59/43/52/344594352.db2.gz VWXQWLCDECFFOX-POYBYMJQSA-N 0 3 258.163 2.229 10 0 CEAEHN CN1CCC[C@@H](N)[C@@H]1c1occc1Br ZINC000234338643 344584349 /nfs/dbraw/zinc/58/43/49/344584349.db2.gz RKBPYSKBBSCSGV-RKDXNWHRSA-N 0 3 259.147 2.136 10 0 CEAEHN N[C@@H](CO)c1ccc(Br)cc1Br ZINC000238590175 344607100 /nfs/dbraw/zinc/60/71/00/344607100.db2.gz COYKEBHYYIQZEZ-QMMMGPOBSA-N 0 3 294.974 2.204 10 0 CEAEHN CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000300576551 344700707 /nfs/dbraw/zinc/70/07/07/344700707.db2.gz CFZXVVAYXJTDBO-UGFHNGPFSA-N 0 3 258.365 2.178 10 0 CEAEHN CC(C)(C)[S@@](=O)C[C@@H](N)c1ccc2c(c1)OCCO2 ZINC000084009038 178771768 /nfs/dbraw/zinc/77/17/68/178771768.db2.gz WGLDMQCRTOBMKG-NSPYISDASA-N 0 3 283.393 2.005 10 0 CEAEHN CCCCCN1CCN2C(=O)N(CC)CC[C@@H]2C1 ZINC000584639969 344971542 /nfs/dbraw/zinc/97/15/42/344971542.db2.gz ABYDLGQANHIICG-CYBMUJFWSA-N 0 3 253.390 2.008 10 0 CEAEHN Cc1ccc([C@@H]2NC(=N)Nc3c4cccnc4nn32)cc1 ZINC000584653145 344973461 /nfs/dbraw/zinc/97/34/61/344973461.db2.gz DXVWXKNJGPXHHM-CYBMUJFWSA-N 0 3 278.319 2.236 10 0 CEAEHN COCc1ccc(CN[C@H](CC(C)C)CN(C)C)o1 ZINC000127349610 187298593 /nfs/dbraw/zinc/29/85/93/187298593.db2.gz ZCDHFWTVWRWFJP-CYBMUJFWSA-N 0 3 268.401 2.492 10 0 CEAEHN Cc1nc(-c2ccccc2F)nc(N2CCNCC2)c1C ZINC000058047315 362606121 /nfs/dbraw/zinc/60/61/21/362606121.db2.gz JMGATFFKLXRUEN-UHFFFAOYSA-N 0 3 286.354 2.309 10 0 CEAEHN CN(CCO)CCN(C)Cc1cccc(Cl)c1Cl ZINC000623091896 349936102 /nfs/dbraw/zinc/93/61/02/349936102.db2.gz ZACMKVHWQFROIE-UHFFFAOYSA-N 0 3 291.222 2.349 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccccc2OC)C1 ZINC000149237379 539486294 /nfs/dbraw/zinc/48/62/94/539486294.db2.gz BDJJHWHYZUXXEF-KBPBESRZSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](Cc1nc2ccccc2n1C)c1cnc(C)cn1 ZINC000097303348 185581574 /nfs/dbraw/zinc/58/15/74/185581574.db2.gz PTFNEBLVMXRHAC-CYBMUJFWSA-N 0 3 281.363 2.175 10 0 CEAEHN CC(C)([C@H](Cc1cc(F)ccc1F)NN)N1CCCC1 ZINC000097581183 185629927 /nfs/dbraw/zinc/62/99/27/185629927.db2.gz QSBNLWODBGBNTN-AWEZNQCLSA-N 0 3 283.366 2.214 10 0 CEAEHN CC[C@@](C)([C@H](Cc1cc(Cl)ccc1OC)NN)N(C)C ZINC000097583111 185631166 /nfs/dbraw/zinc/63/11/66/185631166.db2.gz QLAQGQXAYQBYAR-GJZGRUSLSA-N 0 3 299.846 2.453 10 0 CEAEHN CCCN[C@@H](CCO)c1cc(OC)ccc1OC ZINC000085320629 179014276 /nfs/dbraw/zinc/01/42/76/179014276.db2.gz GDDNIPXQALQIPA-ZDUSSCGKSA-N 0 3 253.342 2.127 10 0 CEAEHN CC[C@@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085505349 179084183 /nfs/dbraw/zinc/08/41/83/179084183.db2.gz CZIFTJKVRIRLNV-OAGGEKHMSA-N 0 3 260.381 2.200 10 0 CEAEHN Cc1cc(C2=NO[C@H](CN)C2)ccc1Br ZINC000085708768 179122997 /nfs/dbraw/zinc/12/29/97/179122997.db2.gz ZWWFIYBPDJXPDB-VIFPVBQESA-N 0 3 269.142 2.209 10 0 CEAEHN CCCCc1ccc([C@@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020042 179217901 /nfs/dbraw/zinc/21/79/01/179217901.db2.gz CNYMYSUPKSPQBD-HUUCEWRRSA-N 0 3 281.421 2.464 10 0 CEAEHN CCN[C@H](c1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086020956 179218081 /nfs/dbraw/zinc/21/80/81/179218081.db2.gz NNWLACZKTJFJFN-MFKMUULPSA-N 0 3 287.450 2.396 10 0 CEAEHN CC[C@@H]1CN[C@@H](c2ccccc2)CN1c1cnn(C)c1 ZINC000086218332 179249804 /nfs/dbraw/zinc/24/98/04/179249804.db2.gz YCOSJWVNWFWJJY-GDBMZVCRSA-N 0 3 270.380 2.350 10 0 CEAEHN Cc1ccc2ncc(CN3CC[C@H](c4cnn(C)c4)C3)n2c1 ZINC000128555780 187377155 /nfs/dbraw/zinc/37/71/55/187377155.db2.gz AVLPQINLSHQMLB-AWEZNQCLSA-N 0 3 295.390 2.366 10 0 CEAEHN COc1ccccc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000128611934 187379504 /nfs/dbraw/zinc/37/95/04/187379504.db2.gz PRAKQNWBGTWGRP-AWEZNQCLSA-N 0 3 286.379 2.199 10 0 CEAEHN CCN(CC)[C@@H](CNC(=O)[C@H](C)COC)c1ccccc1 ZINC000103360148 185832583 /nfs/dbraw/zinc/83/25/83/185832583.db2.gz JRCOPWVIQRZVEA-ZBFHGGJFSA-N 0 3 292.423 2.468 10 0 CEAEHN CN(c1nc2c(s1)CCC[C@H]2N)C1CCOCC1 ZINC000086442928 179293413 /nfs/dbraw/zinc/29/34/13/179293413.db2.gz OOTLPKQQQWUOMP-SNVBAGLBSA-N 0 3 267.398 2.094 10 0 CEAEHN CCN[C@@H]1CCCc2sc(N(C)CCOC)nc21 ZINC000086443833 179293845 /nfs/dbraw/zinc/29/38/45/179293845.db2.gz MLQGPBVBUWXURW-SNVBAGLBSA-N 0 3 269.414 2.213 10 0 CEAEHN CN(c1nc2c(s1)CCC[C@H]2N)[C@@H]1CCSC1 ZINC000086442607 179294161 /nfs/dbraw/zinc/29/41/61/179294161.db2.gz XQARPNPRPNRPGM-RKDXNWHRSA-N 0 3 269.439 2.421 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2)[C@@H](CC)CN1 ZINC000086446443 179294680 /nfs/dbraw/zinc/29/46/80/179294680.db2.gz HXNQXNPQMDEJSJ-KBPBESRZSA-N 0 3 276.380 2.303 10 0 CEAEHN CCN1CCC(N(C)c2nc3c(s2)CCC[C@@H]3O)CC1 ZINC000086444626 179294992 /nfs/dbraw/zinc/29/49/92/179294992.db2.gz QBABZWQZLMDRAV-LBPRGKRZSA-N 0 3 295.452 2.433 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(OC)ccc2O)[C@H](CC)CN1 ZINC000086446218 179295145 /nfs/dbraw/zinc/29/51/45/179295145.db2.gz ORHXIHNGBUUXBX-VXGBXAGGSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc2c(c1)COC2 ZINC000086447147 179295332 /nfs/dbraw/zinc/29/53/32/179295332.db2.gz ZZXJLQUDBAWWAL-JKSUJKDBSA-N 0 3 288.391 2.319 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1occc1C ZINC000086446779 179295381 /nfs/dbraw/zinc/29/53/81/179295381.db2.gz PBOPWVWTKNJDEX-NWDGAFQWSA-N 0 3 250.342 2.191 10 0 CEAEHN CC[C@H]1CN(C(=O)c2occc2C)[C@@H](CC)CN1 ZINC000086446781 179295941 /nfs/dbraw/zinc/29/59/41/179295941.db2.gz PBOPWVWTKNJDEX-RYUDHWBXSA-N 0 3 250.342 2.191 10 0 CEAEHN C[C@@H](NC1CCN(C(=O)C2CC2)CC1)c1nccs1 ZINC000086509748 179303800 /nfs/dbraw/zinc/30/38/00/179303800.db2.gz UFBOOZIFLARIRP-SNVBAGLBSA-N 0 3 279.409 2.195 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000086467834 179297539 /nfs/dbraw/zinc/29/75/39/179297539.db2.gz CUNOGNKCFYXCQY-NXEZZACHSA-N 0 3 282.771 2.171 10 0 CEAEHN COC[C@@](C)(N)c1cscc1Br ZINC000086554045 179307372 /nfs/dbraw/zinc/30/73/72/179307372.db2.gz CVXKZANHHHGKRV-MRVPVSSYSA-N 0 3 250.161 2.331 10 0 CEAEHN COC[C@@H](N[C@H](C)c1c(C)nn(C)c1C)C(C)C ZINC000086695244 179320683 /nfs/dbraw/zinc/32/06/83/179320683.db2.gz ULXLYOUZWLPOKP-ZWNOBZJWSA-N 0 3 253.390 2.359 10 0 CEAEHN OC1([C@H]2NCc3ccccc32)Cc2ccccc2C1 ZINC000086666374 179317192 /nfs/dbraw/zinc/31/71/92/179317192.db2.gz ZDEJEGZOGAETRJ-INIZCTEOSA-N 0 3 251.329 2.361 10 0 CEAEHN O[C@@H](c1ccc2c(c1)CCO2)[C@H]1NCc2ccccc21 ZINC000086668062 179317294 /nfs/dbraw/zinc/31/72/94/179317294.db2.gz COVMEGVBTMJKHH-IRXDYDNUSA-N 0 3 267.328 2.499 10 0 CEAEHN COC[C@@H](N[C@@H]1COc2cc(O)ccc21)C(C)C ZINC000086682579 179320192 /nfs/dbraw/zinc/32/01/92/179320192.db2.gz FRCCVFQOYZAUBA-CHWSQXEVSA-N 0 3 251.326 2.086 10 0 CEAEHN CC[C@](C)(N)C(=O)NCc1ccc(Br)cc1 ZINC000086801417 179336460 /nfs/dbraw/zinc/33/64/60/179336460.db2.gz NMJADIZKRJFYTM-LBPRGKRZSA-N 0 3 285.185 2.193 10 0 CEAEHN CC(C)C[C@@H]([NH2+][C@@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086843284 179352573 /nfs/dbraw/zinc/35/25/73/179352573.db2.gz HSXIBYQEATXGGH-ZIAGYGMSSA-N 0 3 270.417 2.338 10 0 CEAEHN CCN1CCC[C@@](O)(c2cc(OC)ccc2OC)CC1 ZINC000086852278 179359760 /nfs/dbraw/zinc/35/97/60/179359760.db2.gz PFCCIUJJJZEAPB-INIZCTEOSA-N 0 3 279.380 2.397 10 0 CEAEHN CCCN1CCC[C@](C(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086867821 179360639 /nfs/dbraw/zinc/36/06/39/179360639.db2.gz ULLUXYMCVACJAK-HNNXBMFYSA-N 0 3 268.401 2.192 10 0 CEAEHN CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869204 179361426 /nfs/dbraw/zinc/36/14/26/179361426.db2.gz SNYQCNLIYMVTRZ-UONOGXRCSA-N 0 3 268.401 2.188 10 0 CEAEHN CC(C)N1CCC[C@H]([N@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869204 179361428 /nfs/dbraw/zinc/36/14/28/179361428.db2.gz SNYQCNLIYMVTRZ-UONOGXRCSA-N 0 3 268.401 2.188 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CC)C(C)(C)C(=O)[O-])CC1 ZINC000086868920 179361453 /nfs/dbraw/zinc/36/14/53/179361453.db2.gz VMZIKILJIZFPMW-ZDUSSCGKSA-N 0 3 270.417 2.436 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CC)C(C)(C)C(=O)[O-])CC1 ZINC000086868920 179361455 /nfs/dbraw/zinc/36/14/55/179361455.db2.gz VMZIKILJIZFPMW-ZDUSSCGKSA-N 0 3 270.417 2.436 10 0 CEAEHN CC(C)N1CCC[C@@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869073 179361791 /nfs/dbraw/zinc/36/17/91/179361791.db2.gz SWFSMAUVIXUIAG-CQSZACIVSA-N 0 3 282.428 2.436 10 0 CEAEHN CCCN1CCC[C@H]([NH2+][C@@](C)(CCC)C(=O)[O-])CC1 ZINC000086868649 179362223 /nfs/dbraw/zinc/36/22/23/179362223.db2.gz GEQHCRFIRARLGX-ZFWWWQNUSA-N 0 3 270.417 2.484 10 0 CEAEHN CC[C@@H](C)[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868837 179362820 /nfs/dbraw/zinc/36/28/20/179362820.db2.gz RQVGKBRDOCOHGI-ZIAGYGMSSA-N 0 3 270.417 2.434 10 0 CEAEHN CC[C@@H](C)[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868837 179362821 /nfs/dbraw/zinc/36/28/21/179362821.db2.gz RQVGKBRDOCOHGI-ZIAGYGMSSA-N 0 3 270.417 2.434 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CCC)CC(=O)[O-])CC1 ZINC000086869054 179362835 /nfs/dbraw/zinc/36/28/35/179362835.db2.gz TUTJQHQQFXBGMC-ZDUSSCGKSA-N 0 3 256.390 2.048 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CCC)CC(=O)[O-])CC1 ZINC000086869054 179362836 /nfs/dbraw/zinc/36/28/36/179362836.db2.gz TUTJQHQQFXBGMC-ZDUSSCGKSA-N 0 3 256.390 2.048 10 0 CEAEHN CCn1cc([C@H](NC)[C@@H]2CSCCS2)cn1 ZINC000086985067 179373805 /nfs/dbraw/zinc/37/38/05/179373805.db2.gz PHCYIZYZDVMARU-QWRGUYRKSA-N 0 3 257.428 2.012 10 0 CEAEHN COc1ccc([C@@H](CN)N(C)Cc2ccncc2)cc1F ZINC000086983602 179373975 /nfs/dbraw/zinc/37/39/75/179373975.db2.gz KWMQUKYHXWBRIP-OAHLLOKOSA-N 0 3 289.354 2.361 10 0 CEAEHN CN[C@@H](c1cncc(F)c1)[C@@H]1CSCCS1 ZINC000086985059 179374136 /nfs/dbraw/zinc/37/41/36/179374136.db2.gz KRJCJUIYFDNRNS-QWRGUYRKSA-N 0 3 258.387 2.330 10 0 CEAEHN CCCNCc1c[nH]c([C@@H]2CSCCS2)n1 ZINC000086985455 179374781 /nfs/dbraw/zinc/37/47/81/179374781.db2.gz AABGDKLMEAHXFI-JTQLQIEISA-N 0 3 257.428 2.430 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1[C@@H](CN)c1ccc(OC)c(F)c1 ZINC000086991779 179375587 /nfs/dbraw/zinc/37/55/87/179375587.db2.gz HFHIYWXZPSLJEX-LNSITVRQSA-N 0 3 296.386 2.333 10 0 CEAEHN COc1ccc([C@@H](CO)NC2CCCC2)cc1F ZINC000086994932 179376095 /nfs/dbraw/zinc/37/60/95/179376095.db2.gz YZKKIWVPHUDOIZ-CYBMUJFWSA-N 0 3 253.317 2.400 10 0 CEAEHN N[C@H]1COC[C@H]1c1nc2cc(Br)ccc2o1 ZINC000087049584 179388700 /nfs/dbraw/zinc/38/87/00/179388700.db2.gz CIVFDRYTFXGTON-SFYZADRCSA-N 0 3 283.125 2.031 10 0 CEAEHN COc1ccc(C[C@]2(C)CNC[C@H](C)O2)cc1OC ZINC000087090082 179394217 /nfs/dbraw/zinc/39/42/17/179394217.db2.gz OCIFCVOTWUUGFU-XHDPSFHLSA-N 0 3 265.353 2.013 10 0 CEAEHN C[C@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000248563590 539637243 /nfs/dbraw/zinc/63/72/43/539637243.db2.gz DHYIMHCAVPPDRX-CBBWQLFWSA-N 0 3 282.428 2.181 10 0 CEAEHN OCCc1cccc([C@@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000616631546 348541557 /nfs/dbraw/zinc/54/15/57/348541557.db2.gz ATFYPTPBHBLVGC-IBGZPJMESA-N 0 3 296.414 2.368 10 0 CEAEHN CC[C@H]1COCCCN1CCNC(=O)OC(C)(C)C ZINC000616645181 348545311 /nfs/dbraw/zinc/54/53/11/348545311.db2.gz HPUUUTNNCOWBTR-LBPRGKRZSA-N 0 3 272.389 2.012 10 0 CEAEHN CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CNCCN1 ZINC000616653275 348549315 /nfs/dbraw/zinc/54/93/15/348549315.db2.gz KRJIVMOBNPXWQX-ZDUSSCGKSA-N 0 3 291.395 2.292 10 0 CEAEHN CC(=O)Nc1cccc([C@@H]2COCCN(C(C)C)C2)c1 ZINC000616659189 348551314 /nfs/dbraw/zinc/55/13/14/348551314.db2.gz CUXXXGITPDWDPU-HNNXBMFYSA-N 0 3 276.380 2.469 10 0 CEAEHN OCCN1CCO[C@H](c2cccc(Cl)c2)CC1 ZINC000616665610 348554579 /nfs/dbraw/zinc/55/45/79/348554579.db2.gz OFFKFGQZGMHGSF-ZDUSSCGKSA-N 0 3 255.745 2.096 10 0 CEAEHN c1ccc(CN2CCOC[C@H](c3cccnn3)C2)cc1 ZINC000616664335 348554612 /nfs/dbraw/zinc/55/46/12/348554612.db2.gz YUZNIJLRNBCMGT-OAHLLOKOSA-N 0 3 269.348 2.093 10 0 CEAEHN C[C@H](CNc1nccc(C(F)(F)F)n1)N1CCCC1 ZINC000088263607 179571762 /nfs/dbraw/zinc/57/17/62/179571762.db2.gz VWHJEHVEHYEADZ-SECBINFHSA-N 0 3 274.290 2.392 10 0 CEAEHN CC(C)(C)N1C(=O)CC[C@@H](N)[C@@H]1c1cn2ccccc2n1 ZINC000088628110 179644209 /nfs/dbraw/zinc/64/42/09/179644209.db2.gz ZBPSFLXFLLERIM-IAQYHMDHSA-N 0 3 286.379 2.124 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1cccc2cc[nH]c21 ZINC000088733192 179660723 /nfs/dbraw/zinc/66/07/23/179660723.db2.gz CTVDTFHHGDIXBE-GFCCVEGCSA-N 0 3 271.364 2.382 10 0 CEAEHN CN1C(=O)C[C@H](N)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062208847 282642572 /nfs/dbraw/zinc/64/25/72/282642572.db2.gz ZTQYNKILRPFDCR-GXSJLCMTSA-N 0 3 259.136 2.224 10 0 CEAEHN CC(C)(C)n1cc(CNC[C@H]2CCC[C@H]2CO)cn1 ZINC000089494258 179803048 /nfs/dbraw/zinc/80/30/48/179803048.db2.gz WBKQZJLHWUWBMB-KGLIPLIRSA-N 0 3 265.401 2.136 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1ccc(Cl)cc1 ZINC000623766447 350107418 /nfs/dbraw/zinc/10/74/18/350107418.db2.gz GRPROBCUIGBMTR-TVYUQYBPSA-N 0 3 255.745 2.140 10 0 CEAEHN C[C@@]1(c2nc3ccccc3n2CC(F)(F)F)COC[C@@H]1N ZINC000090571873 180007543 /nfs/dbraw/zinc/00/75/43/180007543.db2.gz ANIZLJZNXUEKIJ-WCQYABFASA-N 0 3 299.296 2.214 10 0 CEAEHN C[C@H](OC[C@H](N)c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000090672428 180020786 /nfs/dbraw/zinc/02/07/86/180020786.db2.gz PPDUFXGVSMPBBQ-WPRPVWTQSA-N 0 3 291.269 2.425 10 0 CEAEHN C[C@@H](OCCOc1ccccc1CN)C(F)(F)F ZINC000090671951 180021091 /nfs/dbraw/zinc/02/10/91/180021091.db2.gz YOMBGFPBQSDQDR-SECBINFHSA-N 0 3 263.259 2.492 10 0 CEAEHN COC(=O)c1cc(N2CCNCc3ccccc32)ccn1 ZINC000090738979 180034873 /nfs/dbraw/zinc/03/48/73/180034873.db2.gz RTAJDXCCXSBYHY-UHFFFAOYSA-N 0 3 283.331 2.110 10 0 CEAEHN COc1ccc([C@H](C)NC[C@H](C)[S@](C)=O)cc1OC ZINC000090841341 180043614 /nfs/dbraw/zinc/04/36/14/180043614.db2.gz FQWTWBYGKNETHS-ZHYXMNDGSA-N 0 3 285.409 2.121 10 0 CEAEHN COCCNCc1cccc(SCC(C)(C)O)c1 ZINC000090873217 180049965 /nfs/dbraw/zinc/04/99/65/180049965.db2.gz NGKHAIJCNDQFOS-UHFFFAOYSA-N 0 3 269.410 2.286 10 0 CEAEHN Cc1c(CNC2CC2)cnn1C[C@H]1Cc2ccccc2O1 ZINC000090877749 180052361 /nfs/dbraw/zinc/05/23/61/180052361.db2.gz POXRQBJDOVSPGE-MRXNPFEDSA-N 0 3 283.375 2.447 10 0 CEAEHN CCNCc1cnc(C)n1C[C@@H]1Cc2ccccc2O1 ZINC000090877812 180052430 /nfs/dbraw/zinc/05/24/30/180052430.db2.gz UQDXLWJFHJWBPJ-HNNXBMFYSA-N 0 3 271.364 2.305 10 0 CEAEHN Cc1cnc(CNC[C@@H]2Cc3cc(F)ccc3O2)cn1 ZINC000090892725 180055049 /nfs/dbraw/zinc/05/50/49/180055049.db2.gz KAOIGPZCBQXKOQ-AWEZNQCLSA-N 0 3 273.311 2.017 10 0 CEAEHN NC[C@H](c1ccccc1Cl)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905577 180060242 /nfs/dbraw/zinc/06/02/42/180060242.db2.gz DCLDQGSYQMLYSC-UHIISALHSA-N 0 3 266.772 2.203 10 0 CEAEHN Cn1nccc1CNC[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090904783 180060363 /nfs/dbraw/zinc/06/03/63/180060363.db2.gz DIONRJUDRNAPDI-ZDUSSCGKSA-N 0 3 277.755 2.167 10 0 CEAEHN CC(C)CN(CCN(C)C)Cc1csc([C@H](C)N)n1 ZINC000090958366 180075108 /nfs/dbraw/zinc/07/51/08/180075108.db2.gz SOVTVSSXUAOPPU-LBPRGKRZSA-N 0 3 284.473 2.182 10 0 CEAEHN C[C@H](NCc1sccc1N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000090960126 180075692 /nfs/dbraw/zinc/07/56/92/180075692.db2.gz ZFKWXHDZPVPNQM-QMMMGPOBSA-N 0 3 288.376 2.351 10 0 CEAEHN OC[C@H](NCc1c[nH]c2ncccc12)c1ccccc1 ZINC000091018380 180087252 /nfs/dbraw/zinc/08/72/52/180087252.db2.gz FEIRLFKAKMFPBQ-HNNXBMFYSA-N 0 3 267.332 2.386 10 0 CEAEHN Fc1cc2nc(C[C@H]3CSCCN3)[nH]c2cc1F ZINC000091128495 180100592 /nfs/dbraw/zinc/10/05/92/180100592.db2.gz SMVFCFKEDUPLPI-ZETCQYMHSA-N 0 3 269.320 2.089 10 0 CEAEHN C[C@@H](NC(=O)C[C@@H]1CSCCN1)c1cccc(F)c1 ZINC000091138104 180105568 /nfs/dbraw/zinc/10/55/68/180105568.db2.gz ZXTNPSVTVDGOSY-ZWNOBZJWSA-N 0 3 282.384 2.098 10 0 CEAEHN CC[C@@H](C)n1ncc(CNCCOC)c1C1CC1 ZINC000091337832 180136177 /nfs/dbraw/zinc/13/61/77/180136177.db2.gz GFJOSGKUKHXWEO-LLVKDONJSA-N 0 3 251.374 2.468 10 0 CEAEHN Cc1nn(C)c(S[C@H](C)CCO)c1CNCC(C)C ZINC000091268215 180117260 /nfs/dbraw/zinc/11/72/60/180117260.db2.gz KIGJRTOLHUPNKV-LLVKDONJSA-N 0 3 285.457 2.337 10 0 CEAEHN CC1(C)CCCN([C@H](CN)c2cncn2C2CC2)C1 ZINC000091276592 180120216 /nfs/dbraw/zinc/12/02/16/180120216.db2.gz SEGJXHUIWXCDKI-CYBMUJFWSA-N 0 3 262.401 2.340 10 0 CEAEHN CN(Cc1ccsc1)[C@@H](CN)c1cncn1C1CC1 ZINC000091276251 180120349 /nfs/dbraw/zinc/12/03/49/180120349.db2.gz DPDSCSPROPXMBN-ZDUSSCGKSA-N 0 3 276.409 2.411 10 0 CEAEHN CC[C@H](NC(=O)C[C@@H]1CSCCN1)c1ccccc1 ZINC000091290942 180122985 /nfs/dbraw/zinc/12/29/85/180122985.db2.gz GOVAGWJZIPKFCR-KGLIPLIRSA-N 0 3 278.421 2.349 10 0 CEAEHN CCC1CCC(c2noc(C[C@@H]3CNCCO3)n2)CC1 ZINC000091295181 180124906 /nfs/dbraw/zinc/12/49/06/180124906.db2.gz NIOBZNZPKLQKAC-WXRRBKDZSA-N 0 3 279.384 2.284 10 0 CEAEHN CCc1cccc(CC)c1NC(=O)C[C@H]1CNCCO1 ZINC000091298917 180125457 /nfs/dbraw/zinc/12/54/57/180125457.db2.gz JZAHGEPTKYSKAQ-AWEZNQCLSA-N 0 3 276.380 2.128 10 0 CEAEHN CCOc1cc2c(cc1CNC1CC(O)C1)O[C@H](C)C2 ZINC000091432155 180153623 /nfs/dbraw/zinc/15/36/23/180153623.db2.gz PEYAKJMNWFVXHC-GWMXKSKGSA-N 0 3 277.364 2.022 10 0 CEAEHN CO[C@H]1CCC[C@H](Oc2cncc(CNC(C)C)n2)C1 ZINC000091435422 180154403 /nfs/dbraw/zinc/15/44/03/180154403.db2.gz GBGROLFAGAKWNO-KBPBESRZSA-N 0 3 279.384 2.311 10 0 CEAEHN Cc1ccc(C(F)(F)F)cc1N1CC[C@H](N)C1=O ZINC000091480197 180166790 /nfs/dbraw/zinc/16/67/90/180166790.db2.gz ORUDKKCKGYLVLZ-VIFPVBQESA-N 0 3 258.243 2.078 10 0 CEAEHN CCCN[C@@H](Cc1ccc(C)cn1)C(C)(C)S(C)(=O)=O ZINC000091386208 180144104 /nfs/dbraw/zinc/14/41/04/180144104.db2.gz NPRALWLWJAMCEN-AWEZNQCLSA-N 0 3 298.452 2.124 10 0 CEAEHN CCNCc1cncc(N(CC(F)(F)F)C(C)C)n1 ZINC000091419755 180150552 /nfs/dbraw/zinc/15/05/52/180150552.db2.gz HCMULGLOJRZHFV-UHFFFAOYSA-N 0 3 276.306 2.363 10 0 CEAEHN CCN(c1cncc(CNC(C)(C)C)n1)[C@@H](C)COC ZINC000091419851 180150753 /nfs/dbraw/zinc/15/07/53/180150753.db2.gz JJQHJROKQYCCIM-LBPRGKRZSA-N 0 3 280.416 2.226 10 0 CEAEHN COc1ccc(Cl)cc1[C@H](N)C(C)(C)N1CCOCC1 ZINC000091566312 180194045 /nfs/dbraw/zinc/19/40/45/180194045.db2.gz RNQVRPAYITXRPM-AWEZNQCLSA-N 0 3 298.814 2.459 10 0 CEAEHN CCN1CCC[C@H]1CNc1c(N)c(C(C)C)nn1C ZINC000091576882 180197844 /nfs/dbraw/zinc/19/78/44/180197844.db2.gz AEUIRJMTLUHQNA-NSHDSACASA-N 0 3 265.405 2.022 10 0 CEAEHN CCCn1ccnc1[C@@H](NC)[C@@](C)(CC)N1CCOCC1 ZINC000091612658 180207110 /nfs/dbraw/zinc/20/71/10/180207110.db2.gz MWPNYWNQCQKSRQ-GDBMZVCRSA-N 0 3 294.443 2.055 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cccs1)N1CCOCC1 ZINC000091612183 180207134 /nfs/dbraw/zinc/20/71/34/180207134.db2.gz TUNOHQVMVMJZHB-STQMWFEESA-N 0 3 254.399 2.249 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@H](NC2CCC(CC)CC2)C1=O ZINC000105025796 186038876 /nfs/dbraw/zinc/03/88/76/186038876.db2.gz XFIPBEVIXNROAZ-RYSNWHEDSA-N 0 3 280.412 2.471 10 0 CEAEHN Cn1cc(CC(=O)C2(N3CCCCC3)CCCC2)cn1 ZINC000091641435 180213262 /nfs/dbraw/zinc/21/32/62/180213262.db2.gz XZMALIKGMFXDPL-UHFFFAOYSA-N 0 3 275.396 2.330 10 0 CEAEHN N[C@H](c1cccs1)C1(N2CCOCC2)CCCC1 ZINC000091643092 180213894 /nfs/dbraw/zinc/21/38/94/180213894.db2.gz LVAYHZQQOYKGAB-CYBMUJFWSA-N 0 3 266.410 2.393 10 0 CEAEHN O[C@@H](CCC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091642725 180213951 /nfs/dbraw/zinc/21/39/51/180213951.db2.gz OEUMDEMNCKHQDF-AWEZNQCLSA-N 0 3 253.386 2.183 10 0 CEAEHN C[C@@H]1CCC[C@@](C(=O)Cc2cccnc2N)(N(C)C)C1 ZINC000091650479 180216106 /nfs/dbraw/zinc/21/61/06/180216106.db2.gz ZKEAFSRRUKHHLJ-MLGOLLRUSA-N 0 3 275.396 2.286 10 0 CEAEHN C[C@H](CN1CCCC1)Nc1nc(Cl)ncc1F ZINC000091655362 180217141 /nfs/dbraw/zinc/21/71/41/180217141.db2.gz PUNHEAIWLYJERC-MRVPVSSYSA-N 0 3 258.728 2.165 10 0 CEAEHN CC(C)Oc1ccc([C@H](O)[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091715664 180232679 /nfs/dbraw/zinc/23/26/79/180232679.db2.gz OAAWUDHOAAJZPI-OIISXLGYSA-N 0 3 291.391 2.370 10 0 CEAEHN CCN[C@@H](c1ccc(C)s1)[C@@H]1CN(C)CCO1 ZINC000091718894 180233565 /nfs/dbraw/zinc/23/35/65/180233565.db2.gz PJEOQDDGSMMELV-WCQYABFASA-N 0 3 254.399 2.038 10 0 CEAEHN CCN[C@H](c1csc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718811 180233622 /nfs/dbraw/zinc/23/36/22/180233622.db2.gz XECCIUAVKLJUBK-QWHCGFSZSA-N 0 3 254.399 2.038 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1)[C@@H]1CN(C)CCO1 ZINC000091719339 180234208 /nfs/dbraw/zinc/23/42/08/180234208.db2.gz KETBDPYVOCECCB-LSDHHAIUSA-N 0 3 266.360 2.197 10 0 CEAEHN CCCN[C@@H](c1cccc(F)c1)[C@H]1CN(C)CCO1 ZINC000091719264 180234249 /nfs/dbraw/zinc/23/42/49/180234249.db2.gz FGKYVKMLMMOBAU-CABCVRRESA-N 0 3 266.360 2.197 10 0 CEAEHN CCC(CC)NC(=O)Cn1cccc1[C@H](C)NC ZINC000091801215 180259485 /nfs/dbraw/zinc/25/94/85/180259485.db2.gz VATSSCYYSBSAQL-NSHDSACASA-N 0 3 251.374 2.073 10 0 CEAEHN COc1ccc(NC(=O)Cn2cccc2[C@H](C)N)cc1 ZINC000091800082 180258951 /nfs/dbraw/zinc/25/89/51/180258951.db2.gz PTPQVHSREWTGON-NSHDSACASA-N 0 3 273.336 2.155 10 0 CEAEHN CCC(CC)NC(=O)Cn1cccc1[C@@H](C)NC ZINC000091801214 180259175 /nfs/dbraw/zinc/25/91/75/180259175.db2.gz VATSSCYYSBSAQL-LLVKDONJSA-N 0 3 251.374 2.073 10 0 CEAEHN CCCN[C@H](c1cnccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722269 180240445 /nfs/dbraw/zinc/24/04/45/180240445.db2.gz FVWULVYWGZISHN-HYVNUMGLSA-N 0 3 289.423 2.294 10 0 CEAEHN COC(=O)c1ccc(CN(C)C2CCC(=O)CC2)cc1 ZINC000091853956 180273823 /nfs/dbraw/zinc/27/38/23/180273823.db2.gz GTYFIBBCNKPZML-UHFFFAOYSA-N 0 3 275.348 2.417 10 0 CEAEHN NC[C@H](NC(=O)N1CCCCCC1)c1ccccc1 ZINC000091971098 180295231 /nfs/dbraw/zinc/29/52/31/180295231.db2.gz SMDBVMNCWVBFBU-AWEZNQCLSA-N 0 3 261.369 2.272 10 0 CEAEHN Cc1ccc(O[C@H]2CCOC2)c(CNC(C)(C)C)n1 ZINC000091996013 180302335 /nfs/dbraw/zinc/30/23/35/180302335.db2.gz YJJQHHVBZOHXFS-LBPRGKRZSA-N 0 3 264.369 2.446 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1ccc(C)nc1CNC(C)C ZINC000091995543 180302504 /nfs/dbraw/zinc/30/25/04/180302504.db2.gz BSGLQRHBYJVHJR-LBPRGKRZSA-N 0 3 280.368 2.218 10 0 CEAEHN Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)cc1CN ZINC000092113389 180327077 /nfs/dbraw/zinc/32/70/77/180327077.db2.gz NUWZGSJAGZCOCH-CHWSQXEVSA-N 0 3 296.436 2.039 10 0 CEAEHN CCCN[C@@H](c1c(C)ccnc1N)C(C)(C)OC ZINC000092140000 180333673 /nfs/dbraw/zinc/33/36/73/180333673.db2.gz YNUKOAXMEUSFEV-LBPRGKRZSA-N 0 3 251.374 2.438 10 0 CEAEHN COCCNCc1sc(N2C[C@@H](C)[C@H](C)C2)nc1C ZINC000092089812 180321715 /nfs/dbraw/zinc/32/17/15/180321715.db2.gz XCUYUCQSUJHIQH-GHMZBOCLSA-N 0 3 283.441 2.280 10 0 CEAEHN CNCc1cnn(C[C@@H]2CSc3ccccc32)c1 ZINC000092294511 180357684 /nfs/dbraw/zinc/35/76/84/180357684.db2.gz CMCQNHFXAONBDN-GFCCVEGCSA-N 0 3 259.378 2.492 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2cccc3cccnc32)C[C@@H]1C ZINC000105823282 186073810 /nfs/dbraw/zinc/07/38/10/186073810.db2.gz MUNOEDGZSHNXGU-LSDHHAIUSA-N 0 3 299.418 2.122 10 0 CEAEHN CCCCOC(=O)CCN1CCC(Cn2cccn2)CC1 ZINC000105920225 186090647 /nfs/dbraw/zinc/09/06/47/186090647.db2.gz IGGISEDYNVGPCX-UHFFFAOYSA-N 0 3 293.411 2.329 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)c(F)c2)CCN1C[C@@H](C)O ZINC000106103928 186102757 /nfs/dbraw/zinc/10/27/57/186102757.db2.gz JOUQFPDOIWLYRG-TZMCWYRMSA-N 0 3 298.377 2.242 10 0 CEAEHN Cc1cc([N-]S(=O)(=O)c2ccc([C@H](C)[NH3+])cc2)ccn1 ZINC000092364748 180368196 /nfs/dbraw/zinc/36/81/96/180368196.db2.gz SIUOSEAJTPFDLV-NSHDSACASA-N 0 3 291.376 2.211 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccnc3ccccc23)nn1 ZINC000092364613 180368316 /nfs/dbraw/zinc/36/83/16/180368316.db2.gz SIGBJIIJQWDUPK-UHFFFAOYSA-N 0 3 267.336 2.068 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(Cl)n2)CCN1C ZINC000092366539 180369397 /nfs/dbraw/zinc/36/93/97/180369397.db2.gz DNXUPJAFLPMGME-GFCCVEGCSA-N 0 3 253.777 2.261 10 0 CEAEHN CCNc1cccc(CN2CCN(C)[C@@H](CC)C2)n1 ZINC000092370808 180369978 /nfs/dbraw/zinc/36/99/78/180369978.db2.gz PKXUMQPJIDGMRA-AWEZNQCLSA-N 0 3 262.401 2.039 10 0 CEAEHN CC(C)[C@H](CO)Nc1nc2ccccc2cc1CN ZINC000092391540 180375281 /nfs/dbraw/zinc/37/52/81/180375281.db2.gz GYRDUUVCXQPCLF-AWEZNQCLSA-N 0 3 259.353 2.122 10 0 CEAEHN CCOc1cccc(CN[C@H](CO)C(C)C)c1OC ZINC000092392017 180376164 /nfs/dbraw/zinc/37/61/64/180376164.db2.gz HRASXACDZRDAKK-CYBMUJFWSA-N 0 3 267.369 2.200 10 0 CEAEHN CCN1CCC[C@@H](NC2=N[C@@H](C(C)C)CS2)C1 ZINC000092402330 180377378 /nfs/dbraw/zinc/37/73/78/180377378.db2.gz YUJFFHPFXLEFAJ-VXGBXAGGSA-N 0 3 255.431 2.188 10 0 CEAEHN CNCC(=O)NCc1ccc(SC(C)C)cc1 ZINC000107295612 186167639 /nfs/dbraw/zinc/16/76/39/186167639.db2.gz CMXMWYAPHPCLEN-UHFFFAOYSA-N 0 3 252.383 2.023 10 0 CEAEHN COc1cc(C)c(C(=O)CNC(C)C)cc1OC ZINC000107295081 186168695 /nfs/dbraw/zinc/16/86/95/186168695.db2.gz OAWOPPBHVPVTJN-UHFFFAOYSA-N 0 3 251.326 2.193 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@@H](N[C@@H](C)Cc2ccccc2)C1=O ZINC000108859485 186233234 /nfs/dbraw/zinc/23/32/34/186233234.db2.gz MBYRXGGHLWUDOB-GZBFAFLISA-N 0 3 288.391 2.133 10 0 CEAEHN CCN[C@@H](COC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000109496747 186256960 /nfs/dbraw/zinc/25/69/60/186256960.db2.gz ISKRFLJMDYDNDU-CYBMUJFWSA-N 0 3 275.352 2.212 10 0 CEAEHN CN[C@H](COC)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000109502140 186257566 /nfs/dbraw/zinc/25/75/66/186257566.db2.gz NZXHMIPMCVGCSW-NSHDSACASA-N 0 3 281.743 2.167 10 0 CEAEHN COC[C@H](N)Cc1nc([C@H]2CCCc3ccccc32)no1 ZINC000109514933 186258475 /nfs/dbraw/zinc/25/84/75/186258475.db2.gz YCFAKEJFIKQIGK-OCCSQVGLSA-N 0 3 287.363 2.054 10 0 CEAEHN C[C@@H](O)c1ccc(N(C)[C@H]2CCCN(C)C2)c(F)c1 ZINC000109584077 186264361 /nfs/dbraw/zinc/26/43/61/186264361.db2.gz CAUPKFCVGKUHKZ-YPMHNXCESA-N 0 3 266.360 2.409 10 0 CEAEHN NCc1cc(OCC2CCOCC2)c2ccccc2n1 ZINC000109590782 186265217 /nfs/dbraw/zinc/26/52/17/186265217.db2.gz NNRXRDRRKDKEHS-UHFFFAOYSA-N 0 3 272.348 2.499 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=S)NCc1ccccc1 ZINC000109671217 186269287 /nfs/dbraw/zinc/26/92/87/186269287.db2.gz GSYRFVDPOFCPEF-AWEZNQCLSA-N 0 3 277.437 2.087 10 0 CEAEHN Cc1cc(C)c([C@@H](C)NCCc2nncn2C)c(C)n1 ZINC000109422532 186251283 /nfs/dbraw/zinc/25/12/83/186251283.db2.gz XMYSULZPMDVYEY-GFCCVEGCSA-N 0 3 273.384 2.029 10 0 CEAEHN Cc1ccc(C)c(CN2CCN([C@H](C)C(N)=S)CC2)c1 ZINC000109467957 186254276 /nfs/dbraw/zinc/25/42/76/186254276.db2.gz RGLZHZUFKDSNTG-CQSZACIVSA-N 0 3 291.464 2.096 10 0 CEAEHN CN[C@H]1CCCc2nc(-c3cccc(C)n3)ncc21 ZINC000110475614 186297840 /nfs/dbraw/zinc/29/78/40/186297840.db2.gz FTCBAWXPSWJFEE-LBPRGKRZSA-N 0 3 254.337 2.444 10 0 CEAEHN CCN[C@@H](CO[C@@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526459 186300815 /nfs/dbraw/zinc/30/08/15/186300815.db2.gz ZVTLXRXPASHWQB-HIFRSBDPSA-N 0 3 279.380 2.460 10 0 CEAEHN CCN[C@H](CO[C@H]1CCOC1)c1ccc(OC)cc1 ZINC000110526241 186301147 /nfs/dbraw/zinc/30/11/47/186301147.db2.gz MLAKGJMUJOADMW-LSDHHAIUSA-N 0 3 265.353 2.151 10 0 CEAEHN CC(C)NCc1cnc(O[C@H]2CCOC2)c(Cl)c1 ZINC000110532687 186301919 /nfs/dbraw/zinc/30/19/19/186301919.db2.gz XYDMOXJIIGROKR-NSHDSACASA-N 0 3 270.760 2.401 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1OCC(=O)N1CCCC1 ZINC000110960375 186336824 /nfs/dbraw/zinc/33/68/24/186336824.db2.gz PZMPKXWEKLYHHM-ZDUSSCGKSA-N 0 3 276.380 2.277 10 0 CEAEHN CN1CCN(C[C@@H]2CCCCCC2=O)CC1(C)C ZINC000110744180 186318525 /nfs/dbraw/zinc/31/85/25/186318525.db2.gz PWNAJDNVYJWQIK-ZDUSSCGKSA-N 0 3 252.402 2.162 10 0 CEAEHN C[C@H]([C@H](O)c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110736565 186318696 /nfs/dbraw/zinc/31/86/96/186318696.db2.gz FLTXLUCMNHSJPU-HIFRSBDPSA-N 0 3 262.397 2.135 10 0 CEAEHN CCN1CCN(CCNc2cccc(C)c2)C[C@@H]1C ZINC000110756967 186321693 /nfs/dbraw/zinc/32/16/93/186321693.db2.gz BSUVINOYTIFYOF-HNNXBMFYSA-N 0 3 261.413 2.433 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)CNC(C)C ZINC000110777835 186324394 /nfs/dbraw/zinc/32/43/94/186324394.db2.gz UNUDGVUKSPOKIS-UHFFFAOYSA-N 0 3 284.381 2.170 10 0 CEAEHN CCOc1cc(N(C)[C@H]2CCCN(C)C2)ccc1N ZINC000111055655 186348875 /nfs/dbraw/zinc/34/88/75/186348875.db2.gz HSGREXHYTBMVQR-ZDUSSCGKSA-N 0 3 263.385 2.198 10 0 CEAEHN CS(=O)(=O)CCS[C@H](CN)c1ccccc1Cl ZINC000111003974 186341635 /nfs/dbraw/zinc/34/16/35/186341635.db2.gz PNRZKVJISMPDKE-LLVKDONJSA-N 0 3 293.841 2.118 10 0 CEAEHN CCOCCN(CC)[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000111116834 186354837 /nfs/dbraw/zinc/35/48/37/186354837.db2.gz OFRUSBJXYZBRTR-TZMCWYRMSA-N 0 3 254.374 2.335 10 0 CEAEHN CN[C@@H](c1nc2c(s1)CCC2)[C@@H]1CCCOC1 ZINC000111322186 186396959 /nfs/dbraw/zinc/39/69/59/186396959.db2.gz QQDFSGAMSFGOEU-BXKDBHETSA-N 0 3 252.383 2.319 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1ccc2[nH]ccc2c1 ZINC000111277442 186386705 /nfs/dbraw/zinc/38/67/05/186386705.db2.gz GBKBEXXSZIARNS-GFCCVEGCSA-N 0 3 271.364 2.382 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N2CCC[C@H]2CCC[NH3+])c1 ZINC000111370942 186408781 /nfs/dbraw/zinc/40/87/81/186408781.db2.gz WBNLTYJMWZVJBZ-GFCCVEGCSA-N 0 3 262.353 2.044 10 0 CEAEHN CS(=O)(=O)c1ccc(N[C@H](CN)c2ccccc2)cc1 ZINC000111376514 186409133 /nfs/dbraw/zinc/40/91/33/186409133.db2.gz LNVFFGNJTWXABH-OAHLLOKOSA-N 0 3 290.388 2.202 10 0 CEAEHN CCN(Cc1ccoc1)C(=O)[C@@]1(C)CCCCN1 ZINC000629600373 351428540 /nfs/dbraw/zinc/42/85/40/351428540.db2.gz VOXYTBFHAOCFCF-CQSZACIVSA-N 0 3 250.342 2.160 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@@H](C)c1nccn1C ZINC000070444933 363082009 /nfs/dbraw/zinc/08/20/09/363082009.db2.gz QBVVOKYRMZFSGG-QWHCGFSZSA-N 0 3 252.406 2.047 10 0 CEAEHN CCCCSCCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000121078153 186949812 /nfs/dbraw/zinc/94/98/12/186949812.db2.gz WVTUGSQBPVXBOU-GFCCVEGCSA-N 0 3 258.431 2.072 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCC2=CCCC2)C1 ZINC000122573687 187038832 /nfs/dbraw/zinc/03/88/32/187038832.db2.gz OYQDHRUUEKWLEO-CQSZACIVSA-N 0 3 265.401 2.270 10 0 CEAEHN C[C@H](CN[C@H](C)c1cccnc1Cl)N1CCOCC1 ZINC000123322435 187084779 /nfs/dbraw/zinc/08/47/79/187084779.db2.gz MUSXTMQECYDMGX-VXGBXAGGSA-N 0 3 283.803 2.106 10 0 CEAEHN CCN1CCC[C@H](NCc2ccncc2Br)C1 ZINC000631049577 351937263 /nfs/dbraw/zinc/93/72/63/351937263.db2.gz KIXHCTGFDMTNKI-LBPRGKRZSA-N 0 3 298.228 2.418 10 0 CEAEHN N[C@@H](CO)c1c(F)c(Cl)ccc1C(F)(F)F ZINC000072199265 363120789 /nfs/dbraw/zinc/12/07/89/363120789.db2.gz NYBZKJKLRWUMDH-LURJTMIESA-N 0 3 257.614 2.490 10 0 CEAEHN CN(C)C[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccccc1 ZINC000154217080 188130184 /nfs/dbraw/zinc/13/01/84/188130184.db2.gz UODLKSXFCMXHGX-QGZVFWFLSA-N 0 3 298.386 2.354 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000155556285 188214271 /nfs/dbraw/zinc/21/42/71/188214271.db2.gz ZAFXEFXFXZNZFM-MNOVXSKESA-N 0 3 252.383 2.207 10 0 CEAEHN Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)nn1C ZINC000337275026 366119974 /nfs/dbraw/zinc/11/99/74/366119974.db2.gz FSXZXYDZNNWRNF-ARFHVFGLSA-N 0 3 277.412 2.244 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCCCN2)[C@@H]1C ZINC000133068466 366192689 /nfs/dbraw/zinc/19/26/89/366192689.db2.gz FNZSMTANKFFBQF-CXTNEJHOSA-N 0 3 252.402 2.460 10 0 CEAEHN COc1nc2c(F)c(F)c(F)c(F)c2cc1CN ZINC000675070024 540111414 /nfs/dbraw/zinc/11/14/14/540111414.db2.gz OMTDOLUNVZWUOF-UHFFFAOYSA-N 0 3 260.190 2.259 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccoc2)=C[C@@H](N)C1 ZINC000675077352 540118326 /nfs/dbraw/zinc/11/83/26/540118326.db2.gz CUQABYVYYQBJOS-GFCCVEGCSA-N 0 3 264.325 2.241 10 0 CEAEHN CCCN[C@H](COC)c1cnnn1Cc1ccccc1 ZINC000675081019 540120257 /nfs/dbraw/zinc/12/02/57/540120257.db2.gz ZLFRJQXKJNOAJY-CQSZACIVSA-N 0 3 274.368 2.014 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H]1Cc2ccccc21)N(C)C ZINC000154627825 540187958 /nfs/dbraw/zinc/18/79/58/540187958.db2.gz PHJHSHNDRDLPLS-DZGCQCFKSA-N 0 3 260.381 2.173 10 0 CEAEHN COc1c(CNCCc2ccc(OC)cc2)c(C)nn1C ZINC000134084267 366285036 /nfs/dbraw/zinc/28/50/36/366285036.db2.gz UWYMSJCEUKRFOB-UHFFFAOYSA-N 0 3 289.379 2.078 10 0 CEAEHN CNCc1nc(C(Cl)(Cl)Cl)ncc1C ZINC000685958696 540658030 /nfs/dbraw/zinc/65/80/30/540658030.db2.gz DUFJFYBBTGFINU-UHFFFAOYSA-N 0 3 254.548 2.331 10 0 CEAEHN CC[C@H]1CN(CCc2ccccc2F)CCN1CCOC ZINC000137593253 366546091 /nfs/dbraw/zinc/54/60/91/366546091.db2.gz UJGNBBXMTAKXMH-INIZCTEOSA-N 0 3 294.414 2.411 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccccc2F)C1 ZINC000148636069 366582845 /nfs/dbraw/zinc/58/28/45/366582845.db2.gz HFTSMURWBDKUQX-OLZOCXBDSA-N 0 3 266.360 2.197 10 0 CEAEHN CCn1nccc1CN1CCC[C@H]1Cn1ccnc1C ZINC000180126880 189238763 /nfs/dbraw/zinc/23/87/63/189238763.db2.gz ORBDNEZALURCFF-AWEZNQCLSA-N 0 3 273.384 2.073 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000236993578 370674130 /nfs/dbraw/zinc/67/41/30/370674130.db2.gz FVWBUIVBULMTRD-UKRRQHHQSA-N 0 3 262.397 2.478 10 0 CEAEHN CC(=O)Nc1cccc([C@@H](N)CNC(=O)OC(C)(C)C)c1 ZINC000083428629 363772622 /nfs/dbraw/zinc/77/26/22/363772622.db2.gz FUYCHUKPYDOMEJ-ZDUSSCGKSA-N 0 3 293.367 2.170 10 0 CEAEHN CC(C)(O)C[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000083461152 363774524 /nfs/dbraw/zinc/77/45/24/363774524.db2.gz RXVNLYNMWAMRSK-UHFFFAOYSA-N 0 3 274.158 2.015 10 0 CEAEHN Cc1nn(C)c(Cl)c1CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000083705019 363784954 /nfs/dbraw/zinc/78/49/54/363784954.db2.gz UZBGJJQIEPGCQX-AAEUAGOBSA-N 0 3 296.846 2.441 10 0 CEAEHN O[C@]1(c2ccc(-c3ncccn3)cc2)CN2CCC1CC2 ZINC000013757124 361440663 /nfs/dbraw/zinc/44/06/63/361440663.db2.gz RRMINTDAZGXFGR-KRWDZBQOSA-N 0 3 281.359 2.057 10 0 CEAEHN OCCN1CCC2(CC1)Oc1ccccc1[C@H]2n1cccc1 ZINC000029315517 361684036 /nfs/dbraw/zinc/68/40/36/361684036.db2.gz XCWSTXJAIKIBPH-QGZVFWFLSA-N 0 3 298.386 2.297 10 0 CEAEHN OC1CC(CNCc2cc(Br)ccc2F)C1 ZINC000084445884 363811033 /nfs/dbraw/zinc/81/10/33/363811033.db2.gz SPWWMXARCBXRCQ-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NCc1ncc[nH]1 ZINC000089150752 363938335 /nfs/dbraw/zinc/93/83/35/363938335.db2.gz RDAFCEWLMYZHQT-RYUDHWBXSA-N 0 3 294.399 2.193 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000089161202 363941156 /nfs/dbraw/zinc/94/11/56/363941156.db2.gz AKKQPMNFKBYGEI-DGCLKSJQSA-N 0 3 297.782 2.362 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H](N)c1nccc2[nH]ccc21 ZINC000089220747 363949535 /nfs/dbraw/zinc/94/95/35/363949535.db2.gz CEIOTVMNWYBRIS-SNVBAGLBSA-N 0 3 276.340 2.087 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCc2nc(C)no2)c1C ZINC000089517715 363974868 /nfs/dbraw/zinc/97/48/68/363974868.db2.gz NHGCCBYGNZWJAY-VIFPVBQESA-N 0 3 277.372 2.105 10 0 CEAEHN O=[S@@](c1nc2ccccc2s1)[C@H]1CCCNC1 ZINC000095073405 364332721 /nfs/dbraw/zinc/33/27/21/364332721.db2.gz HXWQBTKEXFOXKE-XYZCENFISA-N 0 3 266.391 2.156 10 0 CEAEHN Cn1nccc1C1CCN(CCc2ccccn2)CC1 ZINC000102949867 364620362 /nfs/dbraw/zinc/62/03/62/364620362.db2.gz VVNBQFZHURXWTM-UHFFFAOYSA-N 0 3 270.380 2.237 10 0 CEAEHN CCc1nc([C@@H](C)NC(=O)N2CC[C@@H](N(C)C)C2)cs1 ZINC000111895107 364766891 /nfs/dbraw/zinc/76/68/91/364766891.db2.gz GYUUVEVKFBVMJN-GHMZBOCLSA-N 0 3 296.440 2.112 10 0 CEAEHN Cc1cnn(C[C@H]2CN(CCC(C)(C)C)CCO2)c1 ZINC000112697929 364830499 /nfs/dbraw/zinc/83/04/99/364830499.db2.gz VSIKRXVGHMQTKK-CQSZACIVSA-N 0 3 265.401 2.329 10 0 CEAEHN COc1ccccc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000113232285 364878491 /nfs/dbraw/zinc/87/84/91/364878491.db2.gz MEFNNGGLXODJCG-CHWSQXEVSA-N 0 3 274.364 2.004 10 0 CEAEHN COc1cc(C)sc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000113885038 364916154 /nfs/dbraw/zinc/91/61/54/364916154.db2.gz ZCDHRRZOCPRPCW-JQWIXIFHSA-N 0 3 294.420 2.374 10 0 CEAEHN O=C(CCN1CCCC[C@@H]1c1cn[nH]c1)NC1CCCC1 ZINC000114484490 364948882 /nfs/dbraw/zinc/94/88/82/364948882.db2.gz PGEVKTQQPLLVFA-OAHLLOKOSA-N 0 3 290.411 2.386 10 0 CEAEHN C[C@H](N[C@@H]1CC(=O)N(C)c2ccccc21)[C@H]1CCOC1 ZINC000132030556 299354216 /nfs/dbraw/zinc/35/42/16/299354216.db2.gz CTCOXOUAGGCWEE-SGMGOOAPSA-N 0 3 274.364 2.109 10 0 CEAEHN Cn1cc([C@@H]2CCN(Cc3ccc4c(c3)CCO4)C2)cn1 ZINC000116311908 365049174 /nfs/dbraw/zinc/04/91/74/365049174.db2.gz MRTQRFABTFICLX-OAHLLOKOSA-N 0 3 283.375 2.345 10 0 CEAEHN Cn1cc([C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)cn1 ZINC000116315303 365050172 /nfs/dbraw/zinc/05/01/72/365050172.db2.gz VBPRBHQVHQZFIC-CQSZACIVSA-N 0 3 299.374 2.181 10 0 CEAEHN CC[C@@H](CC1CCCC1)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000116788842 365068631 /nfs/dbraw/zinc/06/86/31/365068631.db2.gz GGNGKGGSTYCOKM-JKSUJKDBSA-N 0 3 296.455 2.382 10 0 CEAEHN COc1ccnc(C(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000115980971 365032688 /nfs/dbraw/zinc/03/26/88/365032688.db2.gz HCCRZSWOVQUJQR-MRXNPFEDSA-N 0 3 299.374 2.123 10 0 CEAEHN CCCC[C@@H](CC)CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117023271 365089612 /nfs/dbraw/zinc/08/96/12/365089612.db2.gz KYLKYCCORVSHRM-CABCVRRESA-N 0 3 299.459 2.175 10 0 CEAEHN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)COCc1ccccc1 ZINC000118534429 365163125 /nfs/dbraw/zinc/16/31/25/365163125.db2.gz VTROOSJAPURTND-IJEWVQPXSA-N 0 3 295.448 2.390 10 0 CEAEHN CC1(C)Cc2cccc(CN[C@@H]3CCc4ncnn4C3)c2O1 ZINC000119121126 365220560 /nfs/dbraw/zinc/22/05/60/365220560.db2.gz DBGCHRITCCIHCK-CQSZACIVSA-N 0 3 298.390 2.096 10 0 CEAEHN CC1(C)Cc2cccc(CN[C@H]3CCc4ncnn4C3)c2O1 ZINC000119121283 365220805 /nfs/dbraw/zinc/22/08/05/365220805.db2.gz DBGCHRITCCIHCK-AWEZNQCLSA-N 0 3 298.390 2.096 10 0 CEAEHN CC[C@H](O)CN1CCN(CCCc2ccccc2)CC1 ZINC000118858812 365186235 /nfs/dbraw/zinc/18/62/35/365186235.db2.gz FCQKTFOVQFXXPW-KRWDZBQOSA-N 0 3 276.424 2.008 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(CCOCC3CC3)C2)c1 ZINC000119291365 365248065 /nfs/dbraw/zinc/24/80/65/365248065.db2.gz MUXCOJODVKLLIF-OAHLLOKOSA-N 0 3 263.385 2.255 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC[C@]2(C)CCCS2)C1 ZINC000119731858 365317012 /nfs/dbraw/zinc/31/70/12/365317012.db2.gz QMRSLLARQDSMTE-JSGCOSHPSA-N 0 3 285.457 2.056 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(C)s2)CCN1C[C@@H](C)O ZINC000120702769 365462996 /nfs/dbraw/zinc/46/29/96/365462996.db2.gz DZDWJLKUHCDAEY-TZMCWYRMSA-N 0 3 282.453 2.334 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000120666943 365457598 /nfs/dbraw/zinc/45/75/98/365457598.db2.gz GLZRXZBNNWYJPU-ZIAGYGMSSA-N 0 3 287.407 2.055 10 0 CEAEHN C[C@@H](c1ccccn1)N(C)C[C@@H](O)COC(C)(C)C ZINC000245545894 370836783 /nfs/dbraw/zinc/83/67/83/370836783.db2.gz UOYBYHHGZXEOEX-QWHCGFSZSA-N 0 3 266.385 2.250 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccccn1 ZINC000245428284 370818943 /nfs/dbraw/zinc/81/89/43/370818943.db2.gz WZYOXKBGYOYCMM-ZIAGYGMSSA-N 0 3 290.411 2.268 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1ccc(C)c(OC)c1)N(C)C ZINC000162264398 367147482 /nfs/dbraw/zinc/14/74/82/367147482.db2.gz LSUBNDFPXAWNSU-HNNXBMFYSA-N 0 3 292.423 2.393 10 0 CEAEHN Cc1cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)ccc1F ZINC000245686998 370857460 /nfs/dbraw/zinc/85/74/60/370857460.db2.gz ASXGDORNJZCOFX-KGLIPLIRSA-N 0 3 280.387 2.021 10 0 CEAEHN CCc1noc(C)c1NC(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000245695257 370858128 /nfs/dbraw/zinc/85/81/28/370858128.db2.gz BBMORERJNXJTAD-PWSUYJOCSA-N 0 3 292.383 2.246 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000163102605 367218155 /nfs/dbraw/zinc/21/81/55/367218155.db2.gz JIFMEMQGYPKHIH-CYBMUJFWSA-N 0 3 252.402 2.365 10 0 CEAEHN C[C@@H](Cc1ccccc1F)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170833325 367427237 /nfs/dbraw/zinc/42/72/37/367427237.db2.gz GMUQUNRFSJATGL-JSGCOSHPSA-N 0 3 293.386 2.102 10 0 CEAEHN COc1c(C)ccc(NC(=O)N2CC[C@H](N(C)C)C2)c1C ZINC000171076172 367471568 /nfs/dbraw/zinc/47/15/68/367471568.db2.gz RKEPRGQREMPSCC-ZDUSSCGKSA-N 0 3 291.395 2.480 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cnc(C(C)(C)C)s2)C1 ZINC000170855376 367430770 /nfs/dbraw/zinc/43/07/70/367430770.db2.gz KSRFPOWTOKGAIO-SNVBAGLBSA-N 0 3 281.425 2.217 10 0 CEAEHN Cc1ccc(CCCC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170865403 367435770 /nfs/dbraw/zinc/43/57/70/367435770.db2.gz PIOWBDDSCWPBDY-MRXNPFEDSA-N 0 3 274.408 2.480 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170864418 367436038 /nfs/dbraw/zinc/43/60/38/367436038.db2.gz TZIPQMDLRHBXGG-LLVKDONJSA-N 0 3 282.771 2.125 10 0 CEAEHN C/C(=C\C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000170864894 367436543 /nfs/dbraw/zinc/43/65/43/367436543.db2.gz MPMRRTZPIPRMRK-HFBDAHEESA-N 0 3 258.365 2.252 10 0 CEAEHN C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1cccs1 ZINC000171747082 367608487 /nfs/dbraw/zinc/60/84/87/367608487.db2.gz HXXKVKRIXJVXFV-RYUDHWBXSA-N 0 3 281.425 2.450 10 0 CEAEHN C[C@@H]1CCC[C@@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000171904091 367635676 /nfs/dbraw/zinc/63/56/76/367635676.db2.gz AOZJSTAAIVNLAL-RBSFLKMASA-N 0 3 279.428 2.302 10 0 CEAEHN O=C([C@@H]1CSc2ccccc21)N1CCN2CCC[C@@H]2C1 ZINC000172380150 367729806 /nfs/dbraw/zinc/72/98/06/367729806.db2.gz AUOXLYGXXUNPDR-TZMCWYRMSA-N 0 3 288.416 2.183 10 0 CEAEHN CC[C@@H]1CN(Cc2sccc2C)CCN1C[C@H](C)O ZINC000245727442 370864977 /nfs/dbraw/zinc/86/49/77/370864977.db2.gz JBAPXTGXYOESHN-UONOGXRCSA-N 0 3 282.453 2.334 10 0 CEAEHN c1cn2c(cccc2CN2CCN3CCCC[C@H]3C2)n1 ZINC000245868685 370881587 /nfs/dbraw/zinc/88/15/87/370881587.db2.gz QXSKWUJPNJYWET-AWEZNQCLSA-N 0 3 270.380 2.004 10 0 CEAEHN COc1ccc([C@H](C)CN2CCO[C@@H](CN(C)C)C2)cc1 ZINC000245835402 370876755 /nfs/dbraw/zinc/87/67/55/370876755.db2.gz BAMSMBCUNKWGRD-PBHICJAKSA-N 0 3 292.423 2.061 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2ccccn2c1 ZINC000174849901 368072448 /nfs/dbraw/zinc/07/24/48/368072448.db2.gz NRSBOSAYGVLYSD-CZUORRHYSA-N 0 3 283.375 2.248 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C(C)C)n[nH]1 ZINC000175018580 368090911 /nfs/dbraw/zinc/09/09/11/368090911.db2.gz BQFFVXTZZATDFD-QWHCGFSZSA-N 0 3 290.411 2.232 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1sc(C)nc1C ZINC000175044014 368092140 /nfs/dbraw/zinc/09/21/40/368092140.db2.gz IFRWOZRGQQGNPI-CHWSQXEVSA-N 0 3 293.436 2.459 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC[C@H](C)N2CCOCC2)s1 ZINC000177730775 368280913 /nfs/dbraw/zinc/28/09/13/368280913.db2.gz DOWWGTZAKYAGQO-QWRGUYRKSA-N 0 3 283.441 2.131 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)N(CCN(C)C)C2CCCCC2)O1 ZINC000178260277 368294351 /nfs/dbraw/zinc/29/43/51/368294351.db2.gz CPLIDMMVUCKWOA-UKRRQHHQSA-N 0 3 282.428 2.277 10 0 CEAEHN CCC[C@@H](C)CN1CCO[C@H](Cn2cccn2)C1 ZINC000180128440 368368142 /nfs/dbraw/zinc/36/81/42/368368142.db2.gz GLYLZJMUAKLTIA-KGLIPLIRSA-N 0 3 251.374 2.020 10 0 CEAEHN Cc1ccc2c(c1)OCCC[C@H]2NC[C@H]1CN(C)CCO1 ZINC000180495676 368384398 /nfs/dbraw/zinc/38/43/98/368384398.db2.gz CCNLBRBOQNWMMC-GOEBONIOSA-N 0 3 290.407 2.129 10 0 CEAEHN CN(C)C(=O)[C@H]1CCCN1CCCOCc1ccccc1 ZINC000182222336 368537742 /nfs/dbraw/zinc/53/77/42/368537742.db2.gz CIDLAFURMKEZSQ-MRXNPFEDSA-N 0 3 290.407 2.146 10 0 CEAEHN CCc1ccnc(C(=O)N2C[C@H]3CCCN3C[C@H]2CC)c1 ZINC000246034209 370902028 /nfs/dbraw/zinc/90/20/28/370902028.db2.gz MMJSPKBFFLZLOO-HUUCEWRRSA-N 0 3 287.407 2.343 10 0 CEAEHN C[C@H](c1nc(C2CC2)no1)N1CCN2CCCC[C@H]2C1 ZINC000246184277 370922924 /nfs/dbraw/zinc/92/29/24/370922924.db2.gz LBWWBGNYZQMMSP-YPMHNXCESA-N 0 3 276.384 2.178 10 0 CEAEHN O=C(CCN1CCN2CCCC[C@H]2C1)Nc1ccccc1 ZINC000246208116 370928111 /nfs/dbraw/zinc/92/81/11/370928111.db2.gz OIYAPKVPEMSZGF-INIZCTEOSA-N 0 3 287.407 2.185 10 0 CEAEHN CC[C@@H](C)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000246226809 370931438 /nfs/dbraw/zinc/93/14/38/370931438.db2.gz MCXFUJQRAKVOJV-IUODEOHRSA-N 0 3 265.401 2.247 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)N(C)Cc1ccccc1 ZINC000185849605 368872672 /nfs/dbraw/zinc/87/26/72/368872672.db2.gz AOPVHQLPFZDRLY-GOEBONIOSA-N 0 3 287.407 2.407 10 0 CEAEHN C[C@H]1CC(CCN2CCN(CCO)[C@H](C)C2)C[C@H](C)C1 ZINC000187703250 369206746 /nfs/dbraw/zinc/20/67/46/369206746.db2.gz MNVDTXFMCSWWNV-BZUAXINKSA-N 0 3 282.472 2.447 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cnn(C(C)C)c1 ZINC000188099001 369296047 /nfs/dbraw/zinc/29/60/47/369296047.db2.gz HAXOMUGFSMPNML-LSDHHAIUSA-N 0 3 290.411 2.163 10 0 CEAEHN CCC[C@@H](C(=O)N1CC(C)(C)OC(C)(C)C1)N(C)C ZINC000188923313 369429265 /nfs/dbraw/zinc/42/92/65/369429265.db2.gz PZGVZGANQMEDAG-LBPRGKRZSA-N 0 3 270.417 2.133 10 0 CEAEHN CCOCCN1CCN(Cc2cncc(C)c2)C[C@H]1CC ZINC000189872531 369573939 /nfs/dbraw/zinc/57/39/39/369573939.db2.gz XPLNYVDOGDGRCK-QGZVFWFLSA-N 0 3 291.439 2.323 10 0 CEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2ccccn2)C1 ZINC000190483491 369627724 /nfs/dbraw/zinc/62/77/24/369627724.db2.gz OLSGFZKTRGEGGA-KRWDZBQOSA-N 0 3 296.418 2.431 10 0 CEAEHN C[C@@H]1C[C@H](CN2C[C@H]3CCCCN3C[C@@H]2C)CCO1 ZINC000352605494 369803278 /nfs/dbraw/zinc/80/32/78/369803278.db2.gz NXGBTBQNDRKYHY-ZJIFWQFVSA-N 0 3 266.429 2.360 10 0 CEAEHN C=Cn1cc(CN2CCC[C@@H]2Cn2ccnc2C)cn1 ZINC000194043100 370001869 /nfs/dbraw/zinc/00/18/69/370001869.db2.gz XBKGMNFZBTVURC-OAHLLOKOSA-N 0 3 271.368 2.153 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCc2ccccc2C)C1 ZINC000194311589 370024314 /nfs/dbraw/zinc/02/43/14/370024314.db2.gz BVNRYLCJQJSTES-INIZCTEOSA-N 0 3 289.423 2.321 10 0 CEAEHN C[C@]1(NCc2cnc(-c3cccnc3)s2)CCOC1 ZINC000225511172 370301238 /nfs/dbraw/zinc/30/12/38/370301238.db2.gz RCDQFNPGVYDFHG-AWEZNQCLSA-N 0 3 275.377 2.474 10 0 CEAEHN Cc1ccc(Cl)c(NC(=O)C2(N)CCOCC2)c1 ZINC000229215149 370422331 /nfs/dbraw/zinc/42/23/31/370422331.db2.gz YIASHPRXYGPWQQ-UHFFFAOYSA-N 0 3 268.744 2.095 10 0 CEAEHN CCOC(=O)COCCN[C@@H](C)c1ccc(C)c(F)c1 ZINC000233679506 370520398 /nfs/dbraw/zinc/52/03/98/370520398.db2.gz PNVIPZFIVYSJBE-LBPRGKRZSA-N 0 3 283.343 2.364 10 0 CEAEHN C[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)CCCCN1 ZINC000638536677 370599053 /nfs/dbraw/zinc/59/90/53/370599053.db2.gz SKLFUSKDRYDENX-DYEKYZERSA-N 0 3 268.426 2.015 10 0 CEAEHN C[C@H](O)CN1CCN(CCCc2ccccc2)C[C@@H]1C ZINC000247141823 371070138 /nfs/dbraw/zinc/07/01/38/371070138.db2.gz LCEHHHFAZHYQIU-HOTGVXAUSA-N 0 3 276.424 2.006 10 0 CEAEHN Cc1ccoc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247347857 371096659 /nfs/dbraw/zinc/09/66/59/371096659.db2.gz NUUWKNSSIFEBDC-NEPJUHHUSA-N 0 3 250.342 2.047 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)COCc2ccccc2)C1 ZINC000247469163 371112405 /nfs/dbraw/zinc/11/24/05/371112405.db2.gz VCDMFJBAOGZXMZ-GOEBONIOSA-N 0 3 290.407 2.048 10 0 CEAEHN CCCCc1noc(CN2C[C@H]3CCCN3C[C@H]2C)n1 ZINC000247539600 371122772 /nfs/dbraw/zinc/12/27/72/371122772.db2.gz YFVWPHRZOZRRFR-CHWSQXEVSA-N 0 3 278.400 2.081 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@H]2C1)c1cc(F)ccc1F ZINC000248369721 371181242 /nfs/dbraw/zinc/18/12/42/371181242.db2.gz WPLJFZCWOLBTJC-XJKSGUPXSA-N 0 3 296.361 2.168 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(CCO[C@H]3CCCCO3)C2)c1 ZINC000248759231 371243479 /nfs/dbraw/zinc/24/34/79/371243479.db2.gz JEAITAJENIRMGJ-CVEARBPZSA-N 0 3 293.411 2.372 10 0 CEAEHN Cn1cc([C@@H]2CCCN2C[C@@H](O)C2CCCCC2)cn1 ZINC000248992987 371280590 /nfs/dbraw/zinc/28/05/90/371280590.db2.gz YSYRNGHMJPXCNC-JKSUJKDBSA-N 0 3 277.412 2.498 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCN2C)[C@@H]1C ZINC000249742694 371358415 /nfs/dbraw/zinc/35/84/15/371358415.db2.gz JVFBHZOVBCRDIC-SYQHCUMBSA-N 0 3 267.417 2.205 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCn3cccc3[C@H]2C)C1 ZINC000249756897 371360121 /nfs/dbraw/zinc/36/01/21/371360121.db2.gz IFOVKIMUKIZAFR-ZIAGYGMSSA-N 0 3 290.411 2.059 10 0 CEAEHN COCCN1CCN(Cc2ccc(C)cc2)C[C@@H]1C ZINC000252352401 371435023 /nfs/dbraw/zinc/43/50/23/371435023.db2.gz BXLYEQGHGLZQJD-HNNXBMFYSA-N 0 3 262.397 2.148 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C\c2cncc(C)c2)C1 ZINC000255020497 371548355 /nfs/dbraw/zinc/54/83/55/371548355.db2.gz JSFQTYKVIFHHCD-IDTUSYRASA-N 0 3 273.380 2.004 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C\c2cncc(C)c2)C1 ZINC000255020503 371548597 /nfs/dbraw/zinc/54/85/97/371548597.db2.gz JSFQTYKVIFHHCD-XHPSBEMXSA-N 0 3 273.380 2.004 10 0 CEAEHN CC[C@@H](NC(=O)C1(N)CCOCC1)c1ccc(F)cc1F ZINC000261758321 371722107 /nfs/dbraw/zinc/72/21/07/371722107.db2.gz FQVMHKBIZRFSLU-CYBMUJFWSA-N 0 3 298.333 2.040 10 0 CEAEHN N[C@H](C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1CCOCC1 ZINC000261774244 371727335 /nfs/dbraw/zinc/72/73/35/371727335.db2.gz MMHQGCJJFHCNFE-HNKHHVNMSA-N 0 3 294.439 2.215 10 0 CEAEHN Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)[C@@H](C)N)n2)c1 ZINC000261670588 371697690 /nfs/dbraw/zinc/69/76/90/371697690.db2.gz AMOVGDWQRYCEDK-IUODEOHRSA-N 0 3 298.390 2.396 10 0 CEAEHN Cc1cnn(CC2CCN(Cc3cnc(N)s3)CC2)c1 ZINC000261901623 371766466 /nfs/dbraw/zinc/76/64/66/371766466.db2.gz WAVMFVCUTOTXNF-UHFFFAOYSA-N 0 3 291.424 2.142 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(Cc2cnc(N)s2)C1 ZINC000262028410 371803658 /nfs/dbraw/zinc/80/36/58/371803658.db2.gz NTVFFTGSRWEXHZ-LLVKDONJSA-N 0 3 291.424 2.321 10 0 CEAEHN CC(C)CCN(CCC(C)C)C(=O)[C@H]1CNCCOC1 ZINC000643615612 373222858 /nfs/dbraw/zinc/22/28/58/373222858.db2.gz RMJLNECAAASPEO-HNNXBMFYSA-N 0 3 284.444 2.143 10 0 CEAEHN COC(=O)CCCN1CCC(c2nccs2)CC1 ZINC000369454784 373422582 /nfs/dbraw/zinc/42/25/82/373422582.db2.gz FCQNADIGXLJXNQ-UHFFFAOYSA-N 0 3 268.382 2.276 10 0 CEAEHN CC(C)c1nc([C@@H]2CCCN(C[C@@H]3CCOC3)C2)no1 ZINC000377489441 374863987 /nfs/dbraw/zinc/86/39/87/374863987.db2.gz ADSCTLTWTNIMMQ-QWHCGFSZSA-N 0 3 279.384 2.409 10 0 CEAEHN CCN1CC[C@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000389170320 375298646 /nfs/dbraw/zinc/29/86/46/375298646.db2.gz NQLCTSHYKSICEY-QMMMGPOBSA-N 0 3 260.263 2.002 10 0 CEAEHN CCN1CCC[C@H](Nc2nccc(SC)n2)C1 ZINC000386528226 375261644 /nfs/dbraw/zinc/26/16/44/375261644.db2.gz YXTDOHWMFCVNKP-JTQLQIEISA-N 0 3 252.387 2.095 10 0 CEAEHN CCN1CCC[C@@H](NCc2ccc(OC)cc2F)C1 ZINC000404961822 375379487 /nfs/dbraw/zinc/37/94/87/375379487.db2.gz VTKMYXWABFHAHU-CYBMUJFWSA-N 0 3 266.360 2.408 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cc(Cl)ccc1F ZINC000282212538 375429515 /nfs/dbraw/zinc/42/95/15/375429515.db2.gz DMBASZHEDZPNTF-PELKAZGASA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cccc(C(F)F)c1 ZINC000282268432 375443254 /nfs/dbraw/zinc/44/32/54/375443254.db2.gz HMKIADANPLWETF-JOYOIKCWSA-N 0 3 268.307 2.381 10 0 CEAEHN Cc1cc(CN[C@H]2CCC(=O)N[C@@H]2C)c(C)s1 ZINC000282301673 375453277 /nfs/dbraw/zinc/45/32/77/375453277.db2.gz JULNMGPMHWRWHT-SKDRFNHKSA-N 0 3 252.383 2.122 10 0 CEAEHN Cc1nc(C)c([C@H](C)N[C@H]2CCC(=O)N[C@H]2C)s1 ZINC000282311551 375454996 /nfs/dbraw/zinc/45/49/96/375454996.db2.gz NBTZGWBHDHFMFB-ARENWVFISA-N 0 3 267.398 2.078 10 0 CEAEHN C[C@@H](CNCc1ccncc1)N(C)C(=O)OC(C)(C)C ZINC000282927405 375614689 /nfs/dbraw/zinc/61/46/89/375614689.db2.gz WHAGUNLNUYTUQW-LBPRGKRZSA-N 0 3 279.384 2.427 10 0 CEAEHN CC(C)(C)[C@@H](O)CNCc1cnc2ccccc2n1 ZINC000324412411 376840521 /nfs/dbraw/zinc/84/05/21/376840521.db2.gz KSGQYQDXPXSWIA-AWEZNQCLSA-N 0 3 259.353 2.126 10 0 CEAEHN C[C@@H](C(=O)Nc1cccnc1)[C@@H](N)c1ccccc1 ZINC000131615804 249315639 /nfs/dbraw/zinc/31/56/39/249315639.db2.gz PYFHDVLPOUIBSM-BXUZGUMPSA-N 0 3 255.321 2.356 10 0 CEAEHN CCC(=O)CCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000300120511 379154948 /nfs/dbraw/zinc/15/49/48/379154948.db2.gz SAXFPVRYSANSES-KGLIPLIRSA-N 0 3 252.402 2.304 10 0 CEAEHN CNc1c(Cl)ncnc1N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000302604776 379404838 /nfs/dbraw/zinc/40/48/38/379404838.db2.gz ZKBIECMTULOLOU-VHSXEESVSA-N 0 3 283.807 2.312 10 0 CEAEHN CCc1ccc(NC(=O)CN[C@@H](C)[C@H]2CCCO2)cc1 ZINC000183139208 542287445 /nfs/dbraw/zinc/28/74/45/542287445.db2.gz CALSIOUJIGCCDI-SWLSCSKDSA-N 0 3 276.380 2.345 10 0 CEAEHN COC(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)[nH]1 ZINC000093085376 184647984 /nfs/dbraw/zinc/64/79/84/184647984.db2.gz GKTQDNPOEHCYGQ-HIFRSBDPSA-N 0 3 270.332 2.447 10 0 CEAEHN COCC[C@@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000081705878 285131878 /nfs/dbraw/zinc/13/18/78/285131878.db2.gz JTHANMBANIQOOG-DGCLKSJQSA-N 0 3 262.353 2.109 10 0 CEAEHN CC[C@@H]1C[C@@]2(CN=C(N)N2c2ccccc2F)CCO1 ZINC000093390955 184670632 /nfs/dbraw/zinc/67/06/32/184670632.db2.gz VZRYPOTYGMDSAL-IAQYHMDHSA-N 0 3 277.343 2.288 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC2(CC)CCC2)C1 ZINC000175992147 285267604 /nfs/dbraw/zinc/26/76/04/285267604.db2.gz VUVVXIXWVOMGPK-LBPRGKRZSA-N 0 3 253.390 2.103 10 0 CEAEHN COc1ccc(Br)c2ccnc(CN)c12 ZINC000521402090 256845442 /nfs/dbraw/zinc/84/54/42/256845442.db2.gz UQTMWVAEHHVLAP-UHFFFAOYSA-N 0 3 267.126 2.465 10 0 CEAEHN CCc1ccc(O[C@@H]2CC[C@](NC(C)C)(C(N)=O)C2)cc1 ZINC000093837099 184730725 /nfs/dbraw/zinc/73/07/25/184730725.db2.gz CQLSGEVXZNYSLU-NVXWUHKLSA-N 0 3 290.407 2.402 10 0 CEAEHN Cc1cc(C)cc(O[C@H]2CC[C@@](NC3CC3)(C(N)=O)C2)c1 ZINC000093845920 184731716 /nfs/dbraw/zinc/73/17/16/184731716.db2.gz ZCBIGNUBAZZXKB-YOEHRIQHSA-N 0 3 288.391 2.211 10 0 CEAEHN CCC(N)(CC)C(=O)Nc1cccc(COCCOC)c1 ZINC000094244354 184768983 /nfs/dbraw/zinc/76/89/83/184768983.db2.gz ZKVYZVYKFNRKSC-UHFFFAOYSA-N 0 3 294.395 2.306 10 0 CEAEHN CC(=O)c1ccc(NC(=O)[C@H](CN)CC(C)C)cc1 ZINC000094699599 184842490 /nfs/dbraw/zinc/84/24/90/184842490.db2.gz UJFGBEWDUVCYRS-ZDUSSCGKSA-N 0 3 262.353 2.449 10 0 CEAEHN CN[C@@](C)(CSCc1cc(C)cc(C)c1)C(N)=O ZINC000094719283 184846889 /nfs/dbraw/zinc/84/68/89/184846889.db2.gz GTZATVBNKBRCJG-AWEZNQCLSA-N 0 3 266.410 2.000 10 0 CEAEHN Cc1csc(Cn2ccnc2CNC(C)C)n1 ZINC000094970369 184908481 /nfs/dbraw/zinc/90/84/81/184908481.db2.gz UJIUIKWUCFMEBC-UHFFFAOYSA-N 0 3 250.371 2.194 10 0 CEAEHN Cc1cc([C@@H](NC(=O)[C@H](C)N)C2CC2)ccc1F ZINC000262694660 131251174 /nfs/dbraw/zinc/25/11/74/131251174.db2.gz CJOFIMVAWDSIQE-ZANVPECISA-N 0 3 250.317 2.049 10 0 CEAEHN C[C@@H](N)c1c(F)cccc1N1C[C@H](C)OC[C@H]1C ZINC000035786985 134804707 /nfs/dbraw/zinc/80/47/07/134804707.db2.gz DVZHFSHAIHGTRX-OUAUKWLOSA-N 0 3 252.333 2.459 10 0 CEAEHN CC(C)NCc1c(Cl)cccc1N1CCN(C)C(=O)C1 ZINC000084205928 135032625 /nfs/dbraw/zinc/03/26/25/135032625.db2.gz RMJVBZVXZGUIOZ-UHFFFAOYSA-N 0 3 295.814 2.116 10 0 CEAEHN FC(F)(F)OCCOc1cccc(N2CCNCC2)c1 ZINC000089056380 135057692 /nfs/dbraw/zinc/05/76/92/135057692.db2.gz FZTYEARHIRTTEG-UHFFFAOYSA-N 0 3 290.285 2.011 10 0 CEAEHN C[C@@H]1CSCCN1c1cncc(CNC(C)(C)C)n1 ZINC000091421831 135069412 /nfs/dbraw/zinc/06/94/12/135069412.db2.gz HYSISHNHEDTTCB-LLVKDONJSA-N 0 3 280.441 2.306 10 0 CEAEHN CNCc1cncc(N2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000091419608 135069456 /nfs/dbraw/zinc/06/94/56/135069456.db2.gz ZNGXPSWSMRZISY-OCCSQVGLSA-N 0 3 260.385 2.355 10 0 CEAEHN NCc1ccc(C(F)(F)F)nc1N1CCSCC1 ZINC000094334097 135085966 /nfs/dbraw/zinc/08/59/66/135085966.db2.gz RYDWMOKKVBRXIW-UHFFFAOYSA-N 0 3 277.315 2.112 10 0 CEAEHN Nc1ccc(N2CCN3CCCC[C@@H]3C2)c2ncccc12 ZINC000094438993 135087711 /nfs/dbraw/zinc/08/77/11/135087711.db2.gz ZAEDIQLXURPOKG-CYBMUJFWSA-N 0 3 282.391 2.492 10 0 CEAEHN C[C@H]1C[C@H](CCN2CCNC(=O)CC2)C[C@@H](C)C1 ZINC000246293292 394513436 /nfs/dbraw/zinc/51/34/36/394513436.db2.gz UUAOKOLQOVWLBK-WDNDVIMCSA-N 0 3 252.402 2.271 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCSCC[C@@H]2C)C1 ZINC000253281265 394576901 /nfs/dbraw/zinc/57/69/01/394576901.db2.gz WODUGIDHADTUIZ-RDBSUJKOSA-N 0 3 299.484 2.252 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2cccs2)C1 ZINC000048732524 394525502 /nfs/dbraw/zinc/52/55/02/394525502.db2.gz QJEUFYZLPXSTSN-LLVKDONJSA-N 0 3 267.398 2.032 10 0 CEAEHN CC(C)[C@@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261967670 394610357 /nfs/dbraw/zinc/61/03/57/394610357.db2.gz LJFOISPFNKYWDH-UKRRQHHQSA-N 0 3 282.428 2.025 10 0 CEAEHN CCCC[C@H](CC)[NH2+]C1CC(N(CC)CC(=O)[O-])C1 ZINC000263530116 394629055 /nfs/dbraw/zinc/62/90/55/394629055.db2.gz WBKACBGUKJVONL-HSBZDZAISA-N 0 3 270.417 2.482 10 0 CEAEHN C[C@H]1CN(c2nc3ccccc3nc2Cl)CCN1 ZINC000095069518 394672317 /nfs/dbraw/zinc/67/23/17/394672317.db2.gz VJZSNYATYXMDAD-VIFPVBQESA-N 0 3 262.744 2.081 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(Cc2cccc(C)c2)CC1 ZINC000123043950 394821792 /nfs/dbraw/zinc/82/17/92/394821792.db2.gz CLRRQTOBSDCKTO-QGZVFWFLSA-N 0 3 276.424 2.274 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(CCC(C)(C)C)CC1 ZINC000123439559 394827609 /nfs/dbraw/zinc/82/76/09/394827609.db2.gz JUXIJOTYQRFXQB-OAHLLOKOSA-N 0 3 256.434 2.201 10 0 CEAEHN CC[C@H](O)CN1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000133974095 394955315 /nfs/dbraw/zinc/95/53/15/394955315.db2.gz YDKBJJBPURHYOH-HOTGVXAUSA-N 0 3 276.424 2.445 10 0 CEAEHN NC1(C(=O)Nc2cccc3ccccc32)CCOCC1 ZINC000132056075 394923941 /nfs/dbraw/zinc/92/39/41/394923941.db2.gz OCBTWDXLPSJMHA-UHFFFAOYSA-N 0 3 270.332 2.286 10 0 CEAEHN C[C@H](N[C@H]1CCO[C@H]1C)c1nc2ccccc2n1C ZINC000134239422 394956922 /nfs/dbraw/zinc/95/69/22/394956922.db2.gz FHNXAELKQXDSMM-SRVKXCTJSA-N 0 3 259.353 2.401 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC000152292251 394992623 /nfs/dbraw/zinc/99/26/23/394992623.db2.gz DZFIZKCIIFBHQE-GJZGRUSLSA-N 0 3 284.444 2.428 10 0 CEAEHN CO[C@H]1C[C@@H](CO)N(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000343973870 395047937 /nfs/dbraw/zinc/04/79/37/395047937.db2.gz HLGICPSLAHZDKN-STQMWFEESA-N 0 3 289.297 2.287 10 0 CEAEHN CCC[C@@H](C(=O)N1CC[C@@H](Nc2ccccc2)C1)N(C)C ZINC000161985694 395068020 /nfs/dbraw/zinc/06/80/20/395068020.db2.gz QZADQSGZSTTZTJ-CVEARBPZSA-N 0 3 289.423 2.430 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2csc(C)c2)C1 ZINC000381427675 395175524 /nfs/dbraw/zinc/17/55/24/395175524.db2.gz BYXRMHGBSBBOJN-TZMCWYRMSA-N 0 3 268.426 2.428 10 0 CEAEHN COCCN(C)CCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183602054 395259427 /nfs/dbraw/zinc/25/94/27/395259427.db2.gz JVEZMRJUGRRVMG-KBPBESRZSA-N 0 3 284.444 2.143 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ncc(F)cc1F ZINC000192362286 395381751 /nfs/dbraw/zinc/38/17/51/395381751.db2.gz DAFRCKVKEIYCJR-NWDGAFQWSA-N 0 3 295.333 2.059 10 0 CEAEHN CC(C)c1ccc([C@H](C)NCC(=O)N2CCNC2=O)cc1 ZINC000192855983 395394084 /nfs/dbraw/zinc/39/40/84/395394084.db2.gz FMMPUNKBDIQCIO-LBPRGKRZSA-N 0 3 289.379 2.012 10 0 CEAEHN CCN1CCC[C@H](NC(=O)COc2ccc(C)c(C)c2)C1 ZINC000194631500 395444103 /nfs/dbraw/zinc/44/41/03/395444103.db2.gz TTYWOCHMKMCHEB-HNNXBMFYSA-N 0 3 290.407 2.283 10 0 CEAEHN COC1(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCCCC1 ZINC000185684740 292098055 /nfs/dbraw/zinc/09/80/55/292098055.db2.gz KGOBHHYGSTXTNF-KGLIPLIRSA-N 0 3 282.428 2.181 10 0 CEAEHN CCOCCNC(=O)CN[C@@H](C)c1ccc(CC)cc1 ZINC000175914166 286095174 /nfs/dbraw/zinc/09/51/74/286095174.db2.gz OOPJBGYJWSCQTQ-ZDUSSCGKSA-N 0 3 278.396 2.052 10 0 CEAEHN O=C(CCCc1cccs1)N1CCN2CCC[C@@H]2C1 ZINC000195310186 153281587 /nfs/dbraw/zinc/28/15/87/153281587.db2.gz PBJDJUZDCRVTAO-CYBMUJFWSA-N 0 3 278.421 2.377 10 0 CEAEHN O=C(c1cc(-c2ccccc2)no1)N1CCN2CCC[C@H]2C1 ZINC000195331422 153289441 /nfs/dbraw/zinc/28/94/41/153289441.db2.gz VGOXFYYWVBVSNW-AWEZNQCLSA-N 0 3 297.358 2.262 10 0 CEAEHN COCCNCCNc1ncc(Cl)cc1Cl ZINC000215519293 153292763 /nfs/dbraw/zinc/29/27/63/153292763.db2.gz NJJGQSOXBAHMBV-UHFFFAOYSA-N 0 3 264.156 2.036 10 0 CEAEHN C[C@@H](O)C[C@H](C)NCc1cnn(-c2ccccc2)c1 ZINC000228076129 153353105 /nfs/dbraw/zinc/35/31/05/153353105.db2.gz VJBYGDCXNABKJA-QWHCGFSZSA-N 0 3 259.353 2.121 10 0 CEAEHN CCCn1ccc(CN[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000228965972 153372307 /nfs/dbraw/zinc/37/23/07/153372307.db2.gz XSYNHQVWLJDYLZ-LBPRGKRZSA-N 0 3 265.401 2.291 10 0 CEAEHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2C[C@H]2C)cc1 ZINC000248483000 153638627 /nfs/dbraw/zinc/63/86/27/153638627.db2.gz CMFSSWNXUDLUCQ-DYEKYZERSA-N 0 3 267.394 2.155 10 0 CEAEHN CCc1cc(NC(=O)C2(N)CCOCC2)ccc1C ZINC000261566352 153763697 /nfs/dbraw/zinc/76/36/97/153763697.db2.gz GTWZBWKUMLYIEK-UHFFFAOYSA-N 0 3 262.353 2.004 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc(Cl)s2)n1 ZINC000263140688 154023931 /nfs/dbraw/zinc/02/39/31/154023931.db2.gz CHRXVXLRBYELLK-SSDOTTSWSA-N 0 3 284.772 2.028 10 0 CEAEHN CN1CCNC[C@H]1c1noc(C2CCCCCC2)n1 ZINC000263229786 154038397 /nfs/dbraw/zinc/03/83/97/154038397.db2.gz NFHZMAXULRIOEM-LBPRGKRZSA-N 0 3 264.373 2.084 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@H]1c1nc([C@@H]2CNCCN2C)no1 ZINC000263222072 154039429 /nfs/dbraw/zinc/03/94/29/154039429.db2.gz LZTACJUSLGQESE-ZNMIVQPWSA-N 0 3 298.390 2.225 10 0 CEAEHN CC1(C)CC[C@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263454803 154091376 /nfs/dbraw/zinc/09/13/76/154091376.db2.gz AMWARDWNUFFJTN-NFOMZHRRSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1(C)CC[C@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263454803 154091381 /nfs/dbraw/zinc/09/13/81/154091381.db2.gz AMWARDWNUFFJTN-NFOMZHRRSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1(C)CC[C@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263454803 154091386 /nfs/dbraw/zinc/09/13/86/154091386.db2.gz AMWARDWNUFFJTN-NFOMZHRRSA-N 0 3 294.439 2.482 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)CC2CCCC2)C1 ZINC000263454830 154091761 /nfs/dbraw/zinc/09/17/61/154091761.db2.gz ANSUXKZTRNNJMA-LRVUVFPRSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](C)CC2CCCC2)C1 ZINC000263454830 154091764 /nfs/dbraw/zinc/09/17/64/154091764.db2.gz ANSUXKZTRNNJMA-LRVUVFPRSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](C)CC2CCCC2)C1 ZINC000263454830 154091770 /nfs/dbraw/zinc/09/17/70/154091770.db2.gz ANSUXKZTRNNJMA-LRVUVFPRSA-N 0 3 282.428 2.482 10 0 CEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(NC[C@H]2CC=CCC2)C1 ZINC000263492324 154106152 /nfs/dbraw/zinc/10/61/52/154106152.db2.gz IVVAFMWYSSQGEQ-JEYLPNPQSA-N 0 3 292.423 2.260 10 0 CEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC[C@H]2CC=CCC2)C1 ZINC000263492324 154106157 /nfs/dbraw/zinc/10/61/57/154106157.db2.gz IVVAFMWYSSQGEQ-JEYLPNPQSA-N 0 3 292.423 2.260 10 0 CEAEHN O=C([O-])CN(CC1CC1)C1CC([NH2+]C[C@H]2CC=CCC2)C1 ZINC000263492324 154106160 /nfs/dbraw/zinc/10/61/60/154106160.db2.gz IVVAFMWYSSQGEQ-JEYLPNPQSA-N 0 3 292.423 2.260 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000263522126 154111296 /nfs/dbraw/zinc/11/12/96/154111296.db2.gz RMBXVUASDSIOKT-HSBZDZAISA-N 0 3 282.428 2.482 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2sccc2OC(F)F)C1 ZINC000171508598 165047540 /nfs/dbraw/zinc/04/75/40/165047540.db2.gz VOBFEEXVMTYZSA-QMMMGPOBSA-N 0 3 290.335 2.126 10 0 CEAEHN CCCCC[C@@H](C)CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173521546 165073481 /nfs/dbraw/zinc/07/34/81/165073481.db2.gz GGRKHRICKCQWLV-HUUCEWRRSA-N 0 3 284.444 2.382 10 0 CEAEHN CCSCC[C@H](C)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000173623343 165077675 /nfs/dbraw/zinc/07/76/75/165077675.db2.gz ZAXKFKIWQGYSFO-QWHCGFSZSA-N 0 3 285.457 2.008 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCC3(CCCC3)C2)C1 ZINC000174235003 165096153 /nfs/dbraw/zinc/09/61/53/165096153.db2.gz XYJDZWGRMVDKGN-CQSZACIVSA-N 0 3 279.428 2.446 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccoc1C ZINC000174978665 165124317 /nfs/dbraw/zinc/12/43/17/165124317.db2.gz ZCCJIRVPGUCUAV-QWHCGFSZSA-N 0 3 262.353 2.287 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)NCC1CCCCC1 ZINC000175361481 165134649 /nfs/dbraw/zinc/13/46/49/165134649.db2.gz KFWHRHMBNPTAGX-INIZCTEOSA-N 0 3 295.471 2.099 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC2(CC)CCC2)C1 ZINC000175992127 165151984 /nfs/dbraw/zinc/15/19/84/165151984.db2.gz VUVVXIXWVOMGPK-GFCCVEGCSA-N 0 3 253.390 2.103 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCCCSC ZINC000176993152 165179894 /nfs/dbraw/zinc/17/98/94/165179894.db2.gz HOYFPTAYIZVXOU-ZDUSSCGKSA-N 0 3 272.458 2.462 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC000176987516 165181934 /nfs/dbraw/zinc/18/19/34/165181934.db2.gz NMNJIHVVXCKNOB-UONOGXRCSA-N 0 3 250.386 2.285 10 0 CEAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)CCCOC ZINC000178416949 165241316 /nfs/dbraw/zinc/24/13/16/165241316.db2.gz CUIDUPTVOTYFNX-NEPJUHHUSA-N 0 3 266.389 2.080 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1Cc1cncs1 ZINC000180122641 165297263 /nfs/dbraw/zinc/29/72/63/165297263.db2.gz OIFPVUJAKHUTJJ-GFCCVEGCSA-N 0 3 262.382 2.313 10 0 CEAEHN COCc1ccsc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000181898089 165360950 /nfs/dbraw/zinc/36/09/50/165360950.db2.gz DGFANCSGJBYFOK-WCQYABFASA-N 0 3 294.420 2.203 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1sccc1COC ZINC000182272234 165368459 /nfs/dbraw/zinc/36/84/59/165368459.db2.gz DHHGDGNUXGYHKS-CYBMUJFWSA-N 0 3 296.436 2.451 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)ccc1[O-] ZINC000246462608 287229096 /nfs/dbraw/zinc/22/90/96/287229096.db2.gz AHWJRIDWFXOOCW-KGLIPLIRSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C)ccc1[O-] ZINC000246462608 287229098 /nfs/dbraw/zinc/22/90/98/287229098.db2.gz AHWJRIDWFXOOCW-KGLIPLIRSA-N 0 3 288.391 2.399 10 0 CEAEHN NCc1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000019401659 170785206 /nfs/dbraw/zinc/78/52/06/170785206.db2.gz ZIARYCMWLMGACK-UHFFFAOYSA-N 0 3 258.296 2.214 10 0 CEAEHN N[C@H](c1ccc2c(c1)CC(=O)N2)c1ccccc1F ZINC000019969646 170952078 /nfs/dbraw/zinc/95/20/78/170952078.db2.gz XLWMJTWQZPBNMO-OAHLLOKOSA-N 0 3 256.280 2.368 10 0 CEAEHN Cc1nn(C)c(C)c1CN[C@@H](CN(C)C)c1ccccc1 ZINC000020129449 171018347 /nfs/dbraw/zinc/01/83/47/171018347.db2.gz QIEDTQRHYYHCCA-KRWDZBQOSA-N 0 3 286.423 2.429 10 0 CEAEHN COc1cc(CN[C@H](C)[C@@H]2CCCO2)ccc1O ZINC000020205287 171070396 /nfs/dbraw/zinc/07/03/96/171070396.db2.gz BRILEKGHWSUNSH-MFKMUULPSA-N 0 3 251.326 2.058 10 0 CEAEHN COc1cccc(N(CCN)C(=O)CC(C)C)c1 ZINC000020235868 171096367 /nfs/dbraw/zinc/09/63/67/171096367.db2.gz WZCONLBYZSKJOD-UHFFFAOYSA-N 0 3 250.342 2.033 10 0 CEAEHN CCOc1ccc(N(CCN)C(=O)C(C)(C)C)cc1 ZINC000020236210 171096610 /nfs/dbraw/zinc/09/66/10/171096610.db2.gz TYAXWZTZWRUGAX-UHFFFAOYSA-N 0 3 264.369 2.423 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2ccccc2C(F)(F)F)CCO1 ZINC000022173434 171369336 /nfs/dbraw/zinc/36/93/36/171369336.db2.gz MXXUHXGTUWARBL-GWCFXTLKSA-N 0 3 288.313 2.426 10 0 CEAEHN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(CN)c1 ZINC000022219735 171377430 /nfs/dbraw/zinc/37/74/30/171377430.db2.gz MDKFJIDDDJBYJN-FZMZJTMJSA-N 0 3 282.409 2.002 10 0 CEAEHN CN[C@@H](C)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000035633514 172316875 /nfs/dbraw/zinc/31/68/75/172316875.db2.gz UOVLFAKVTQDGAX-LBPRGKRZSA-N 0 3 282.409 2.142 10 0 CEAEHN NCc1ccccc1OCCSc1ncccn1 ZINC000035722192 172377458 /nfs/dbraw/zinc/37/74/58/172377458.db2.gz VWJNUUBDLRTDEC-UHFFFAOYSA-N 0 3 261.350 2.106 10 0 CEAEHN Cc1ccsc1[C@H](CN)N1C[C@H](C)OC[C@@H]1C ZINC000035783329 172416453 /nfs/dbraw/zinc/41/64/53/172416453.db2.gz URLJFNHIMNJMEL-SRVKXCTJSA-N 0 3 254.399 2.166 10 0 CEAEHN CC[C@@H]1CO[C@H](c2ccc(OC)cc2OC)CN1 ZINC000036672912 172650580 /nfs/dbraw/zinc/65/05/80/172650580.db2.gz CLWBGCRKLBTKHL-YGRLFVJLSA-N 0 3 251.326 2.143 10 0 CEAEHN O=c1[nH]c(CNCC2CC2)nc2cc(Cl)ccc21 ZINC000036964990 172832941 /nfs/dbraw/zinc/83/29/41/172832941.db2.gz RILOXHQECPLXNQ-UHFFFAOYSA-N 0 3 263.728 2.076 10 0 CEAEHN Cc1ccc([C@H](CN)N2CCSCC2)cc1C ZINC000037180002 173013203 /nfs/dbraw/zinc/01/32/03/173013203.db2.gz ZMIYKYIQIBMTEQ-AWEZNQCLSA-N 0 3 250.411 2.352 10 0 CEAEHN Cc1ncsc1[C@@H](C)N[C@@H]1CN2CCC1CC2 ZINC000037211766 173033732 /nfs/dbraw/zinc/03/37/32/173033732.db2.gz VNLVQOYPKORQQI-ZYHUDNBSSA-N 0 3 251.399 2.196 10 0 CEAEHN CNC(=O)CN[C@@H](c1cccs1)C1CCCC1 ZINC000037254186 173065584 /nfs/dbraw/zinc/06/55/84/173065584.db2.gz XMYWJYZTWJVIEJ-CYBMUJFWSA-N 0 3 252.383 2.315 10 0 CEAEHN CC[C@H](NCCC(N)=O)c1cccc(Br)c1 ZINC000037262061 173071886 /nfs/dbraw/zinc/07/18/86/173071886.db2.gz ONXKFJJUGGDDMB-NSHDSACASA-N 0 3 285.185 2.365 10 0 CEAEHN NC(=O)CCNC(c1cccs1)c1cccs1 ZINC000037262078 173071953 /nfs/dbraw/zinc/07/19/53/173071953.db2.gz VGIJFLLFLHXCHH-UHFFFAOYSA-N 0 3 266.391 2.364 10 0 CEAEHN CCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000037262536 173072672 /nfs/dbraw/zinc/07/26/72/173072672.db2.gz KJSNKEVJNWXTQV-CQSZACIVSA-N 0 3 250.317 2.003 10 0 CEAEHN CCCn1c2ccccc2nc1[C@@H]1C[C@@H](OC)CN1 ZINC000037323594 173124108 /nfs/dbraw/zinc/12/41/08/173124108.db2.gz PNBRCDTVTTVGHH-YPMHNXCESA-N 0 3 259.353 2.496 10 0 CEAEHN O=C(CNC1CCCC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000037386781 173169494 /nfs/dbraw/zinc/16/94/94/173169494.db2.gz AAJXEWZYHLNPSC-UHFFFAOYSA-N 0 3 298.289 2.479 10 0 CEAEHN COc1ccc(NC(=O)CNC2CCCC2)c(OC)c1 ZINC000037386890 173171163 /nfs/dbraw/zinc/17/11/63/173171163.db2.gz IDPOWBUETJKPMY-UHFFFAOYSA-N 0 3 278.352 2.175 10 0 CEAEHN CC(C)NCC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000037389747 173173011 /nfs/dbraw/zinc/17/30/11/173173011.db2.gz CGSXJYIFPZQSGM-VIFPVBQESA-N 0 3 256.296 2.140 10 0 CEAEHN CCn1c2cccc(F)c2nc1[C@H]1C[C@@H](OC)CN1 ZINC000037442689 173211116 /nfs/dbraw/zinc/21/11/16/173211116.db2.gz IJYQTHOYSPPYHS-MWLCHTKSSA-N 0 3 263.316 2.245 10 0 CEAEHN CSCC[C@@H](N)c1nc2c(cccc2F)n1C ZINC000037442549 173211461 /nfs/dbraw/zinc/21/14/61/173211461.db2.gz SSEIPUZXRYWYEQ-SECBINFHSA-N 0 3 253.346 2.465 10 0 CEAEHN COC(=O)c1ccc(C)c(NC2CCN(C)CC2)c1 ZINC000037507941 173242165 /nfs/dbraw/zinc/24/21/65/173242165.db2.gz QESLOJKTCJLFSM-UHFFFAOYSA-N 0 3 262.353 2.288 10 0 CEAEHN C[C@@H](CNc1ccc(Cl)nn1)N1CCCCC1 ZINC000038029322 174019075 /nfs/dbraw/zinc/01/90/75/174019075.db2.gz PHXVYOMDQBUQRK-JTQLQIEISA-N 0 3 254.765 2.416 10 0 CEAEHN CC[C@@H](C)N[C@@]1(C(N)=O)CCCCc2ccccc21 ZINC000038065342 174076399 /nfs/dbraw/zinc/07/63/99/174076399.db2.gz VEASFQJGCJOAAP-WBMJQRKESA-N 0 3 260.381 2.482 10 0 CEAEHN CNCc1cc(-c2c(C)nn(C)c2C)ccc1OC ZINC000038073216 174083362 /nfs/dbraw/zinc/08/33/62/174083362.db2.gz OWEFFJJMSYGSPB-UHFFFAOYSA-N 0 3 259.353 2.432 10 0 CEAEHN COc1ccc([C@H](CO)NC(C)C)cc1Br ZINC000038115886 174125947 /nfs/dbraw/zinc/12/59/47/174125947.db2.gz HQSJMXRQKBZDGB-NSHDSACASA-N 0 3 288.185 2.489 10 0 CEAEHN COc1ccc([C@H](C)NC(=O)[C@@H](N)CC(C)C)cc1OC ZINC000040491243 174292179 /nfs/dbraw/zinc/29/21/79/174292179.db2.gz DWENHOSOFFVQCX-AAEUAGOBSA-N 0 3 294.395 2.254 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000040629956 174357787 /nfs/dbraw/zinc/35/77/87/174357787.db2.gz XOXGFEPYCKFRGK-LDYMZIIASA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000040629682 174357825 /nfs/dbraw/zinc/35/78/25/174357825.db2.gz YUBZJBFXUONOPF-LDYMZIIASA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3ccc(F)cc3F)c[nH]2)C1 ZINC000040637853 174362051 /nfs/dbraw/zinc/36/20/51/174362051.db2.gz SAEMIBPLOBOQGZ-SKDRFNHKSA-N 0 3 279.290 2.404 10 0 CEAEHN COc1cccc(-c2c[nH]c([C@H]3C[C@H](OC)CN3)n2)c1 ZINC000040637712 174362057 /nfs/dbraw/zinc/36/20/57/174362057.db2.gz DMPBFGJMDFNECS-QWHCGFSZSA-N 0 3 273.336 2.135 10 0 CEAEHN CCOc1cccc(CN[C@@H]2CCCN(C)C2)c1OC ZINC000040672929 174371092 /nfs/dbraw/zinc/37/10/92/174371092.db2.gz ISNBXWKJSHHEEG-CQSZACIVSA-N 0 3 278.396 2.278 10 0 CEAEHN CN1CCC[C@H](Nc2ccc(N)c3cnccc23)C1 ZINC000040715774 174382640 /nfs/dbraw/zinc/38/26/40/174382640.db2.gz DEGPAPMAOCBLBA-NSHDSACASA-N 0 3 256.353 2.323 10 0 CEAEHN C[C@@H]1CCN([C@@H](CN)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000040717373 174384899 /nfs/dbraw/zinc/38/48/99/174384899.db2.gz AKWVKKIQOAVUEG-SKDRFNHKSA-N 0 3 282.771 2.410 10 0 CEAEHN Cc1cc(C)c([C@H](N)Cn2cnc(C)cc2=O)c(C)c1 ZINC000040728187 174387729 /nfs/dbraw/zinc/38/77/29/174387729.db2.gz FKVVMPYTTPOJHE-CQSZACIVSA-N 0 3 271.364 2.177 10 0 CEAEHN CCC[C@@H](N)C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000404884578 414791288 /nfs/dbraw/zinc/79/12/88/414791288.db2.gz DJMXVZSMUWGOSV-IUODEOHRSA-N 0 3 260.381 2.302 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ncccn1 ZINC000126433484 414800480 /nfs/dbraw/zinc/80/04/80/414800480.db2.gz SZAQFTHVWAMDDQ-STQMWFEESA-N 0 3 284.363 2.463 10 0 CEAEHN CN(C(=O)c1ccc(Cl)s1)[C@@H](CN)C(F)(F)F ZINC000662976757 414816759 /nfs/dbraw/zinc/81/67/59/414816759.db2.gz QFICERZBMJJYGS-LURJTMIESA-N 0 3 286.706 2.363 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@H](CN)C(F)(F)F)ccc1F ZINC000662979265 414817134 /nfs/dbraw/zinc/81/71/34/414817134.db2.gz KGAKINCNHAOXFA-SNVBAGLBSA-N 0 3 278.249 2.096 10 0 CEAEHN CN(C(=O)CCc1ccc(F)cc1)[C@@H](CN)C(F)(F)F ZINC000662976625 414817484 /nfs/dbraw/zinc/81/74/84/414817484.db2.gz GZJVXVVISOCPAW-NSHDSACASA-N 0 3 292.276 2.106 10 0 CEAEHN C[C@H](O)c1cccc(NC(=O)N(C)C2CCN(C)CC2)c1 ZINC000041703872 174609237 /nfs/dbraw/zinc/60/92/37/174609237.db2.gz NUQCXMNWXKGOSV-LBPRGKRZSA-N 0 3 291.395 2.298 10 0 CEAEHN C[C@]1(N[C@H](c2cccs2)C2CC2)CCS(=O)(=O)C1 ZINC000042329765 174686822 /nfs/dbraw/zinc/68/68/22/174686822.db2.gz IMLWEGSWZJNMBZ-STQMWFEESA-N 0 3 285.434 2.366 10 0 CEAEHN COc1c(CNCCCC2CCC2)c(C)nn1C ZINC000657667420 415043374 /nfs/dbraw/zinc/04/33/74/415043374.db2.gz QOGQYACLLPFAHE-UHFFFAOYSA-N 0 3 251.374 2.407 10 0 CEAEHN NC[C@H](c1ccccc1Cl)N1CCCC[C@@H]1CO ZINC000043051825 174960495 /nfs/dbraw/zinc/96/04/95/174960495.db2.gz JFNYDTGAHVFESC-BXUZGUMPSA-N 0 3 268.788 2.187 10 0 CEAEHN Cc1cccc([C@@H](CN)N(C)Cc2cnn(C)c2)c1C ZINC000043314871 175004717 /nfs/dbraw/zinc/00/47/17/175004717.db2.gz DWSAHEOQKFEDEF-MRXNPFEDSA-N 0 3 272.396 2.169 10 0 CEAEHN C[C@@H](N)[C@H](Oc1cccc(S(C)(=O)=O)c1)c1ccco1 ZINC000043337850 175012570 /nfs/dbraw/zinc/01/25/70/175012570.db2.gz LARCWPACZXGZNY-YGRLFVJLSA-N 0 3 295.360 2.150 10 0 CEAEHN C[C@H](N)[C@H](c1ccco1)N(C)Cc1cscn1 ZINC000043336327 175012645 /nfs/dbraw/zinc/01/26/45/175012645.db2.gz DMJRLPVFSJACRK-JOYOIKCWSA-N 0 3 251.355 2.256 10 0 CEAEHN Cc1ncsc1CCO[C@@H](CN)c1cccnc1 ZINC000043350368 175019149 /nfs/dbraw/zinc/01/91/49/175019149.db2.gz PNUQIFDHPOISSM-LBPRGKRZSA-N 0 3 263.366 2.106 10 0 CEAEHN CC(=O)Nc1ccccc1O[C@H](CN)c1ccncc1 ZINC000043355506 175023212 /nfs/dbraw/zinc/02/32/12/175023212.db2.gz VJTCAHLIIFWZLJ-OAHLLOKOSA-N 0 3 271.320 2.119 10 0 CEAEHN CCN([C@H](C)COC)[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000043365365 175026395 /nfs/dbraw/zinc/02/63/95/175026395.db2.gz CDCPMPPLAXRDGE-MPKXVKKWSA-N 0 3 254.374 2.333 10 0 CEAEHN Cc1cc(C)cc([C@H](CN)N2CCOCC2(C)C)c1 ZINC000043394356 175034714 /nfs/dbraw/zinc/03/47/14/175034714.db2.gz SEZROVDCYBZZDS-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN CCOc1ccc([C@@H](CN2C[C@@H](C)O[C@@H](C)C2)NC)cc1 ZINC000043811358 175110166 /nfs/dbraw/zinc/11/01/66/175110166.db2.gz BBZKRSYCGOTOLK-JKIFEVAISA-N 0 3 292.423 2.455 10 0 CEAEHN CCN[C@H](CN(C)CC)c1ccc2c(c1)OCCCO2 ZINC000043820556 175113766 /nfs/dbraw/zinc/11/37/66/175113766.db2.gz OIIAWBOINJAQSX-CQSZACIVSA-N 0 3 278.396 2.450 10 0 CEAEHN CCN[C@H](CN(C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000043823175 175114461 /nfs/dbraw/zinc/11/44/61/175114461.db2.gz GQFYCPWRNWJODX-CQSZACIVSA-N 0 3 276.380 2.203 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N1CCC(OC)CC1 ZINC000043890284 175118278 /nfs/dbraw/zinc/11/82/78/175118278.db2.gz CTCFTMJINUBHIK-WBVHZDCISA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](CN1CCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000043902716 175122652 /nfs/dbraw/zinc/12/26/52/175122652.db2.gz NJJBKBVDPMILQQ-JSGCOSHPSA-N 0 3 278.396 2.449 10 0 CEAEHN CCOC1CCN([C@H]2COc3ccccc3[C@@H]2NC)CC1 ZINC000043907135 175123452 /nfs/dbraw/zinc/12/34/52/175123452.db2.gz LRZJBQAOUALSAS-RDJZCZTQSA-N 0 3 290.407 2.209 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043913932 175124351 /nfs/dbraw/zinc/12/43/51/175124351.db2.gz FLZNXYOVGBGSLH-LBEHMCEESA-N 0 3 290.407 2.207 10 0 CEAEHN CCOc1ccccc1[C@@H](CN(C)[C@@H](C)COC)NC ZINC000043969101 175130263 /nfs/dbraw/zinc/13/02/63/175130263.db2.gz VWFRSLNVENSIKG-DZGCQCFKSA-N 0 3 280.412 2.313 10 0 CEAEHN CCN1CCN(C[C@H](O)c2c(C)cc(C)cc2C)CC1 ZINC000044114498 175141731 /nfs/dbraw/zinc/14/17/31/175141731.db2.gz IELSCHCETKOWSG-INIZCTEOSA-N 0 3 276.424 2.283 10 0 CEAEHN c1ccc2c(c1)OCc1sc(N3CCNCC3)nc1-2 ZINC000044494136 175181977 /nfs/dbraw/zinc/18/19/77/175181977.db2.gz CWFSAGYBKXUVKQ-UHFFFAOYSA-N 0 3 273.361 2.112 10 0 CEAEHN Cc1cc(N)ccc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000044749090 175244311 /nfs/dbraw/zinc/24/43/11/175244311.db2.gz OZVMEAPXJHBIDZ-AWEZNQCLSA-N 0 3 277.412 2.283 10 0 CEAEHN CC[C@H](NC(=O)[C@H](CN)Cc1ccccc1)C(C)C ZINC000044805643 175256387 /nfs/dbraw/zinc/25/63/87/175256387.db2.gz BIASUXUJSWSVGR-GJZGRUSLSA-N 0 3 262.397 2.355 10 0 CEAEHN C[C@@H](CN1C(=S)N=NC1C1CC1)N1CCCCC1 ZINC000045005119 175288232 /nfs/dbraw/zinc/28/82/32/175288232.db2.gz DUUWINWHBFSCQZ-JTQLQIEISA-N 0 3 266.414 2.319 10 0 CEAEHN C[C@](N)(C(=O)N1CCC[C@H]1C1CCCC1)C1CC1 ZINC000045088360 175304192 /nfs/dbraw/zinc/30/41/92/175304192.db2.gz MPSZODUUSMUHIR-DZGCQCFKSA-N 0 3 250.386 2.295 10 0 CEAEHN CCCN(CC(N)=S)Cc1ncc(C)c(OC)c1C ZINC000045093517 175307142 /nfs/dbraw/zinc/30/71/42/175307142.db2.gz IBFXMSBDLODSTB-UHFFFAOYSA-N 0 3 281.425 2.205 10 0 CEAEHN CCCCN(CC)C[C@@](C)(NC1CC1)C(=O)OCC ZINC000045223330 175331475 /nfs/dbraw/zinc/33/14/75/175331475.db2.gz MAMMGMBPOVNSEB-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN COC(=O)[C@@](C)(CN1CCCCCCC1)NC(C)C ZINC000045223691 175331539 /nfs/dbraw/zinc/33/15/39/175331539.db2.gz NGLMZVLWSYHABE-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCCN(CC)C[C@](C)(NCC)C(=O)OCC ZINC000045223286 175331579 /nfs/dbraw/zinc/33/15/79/175331579.db2.gz IHRCSDYUWLTFGQ-AWEZNQCLSA-N 0 3 258.406 2.040 10 0 CEAEHN CCCN[C@@](CN1CCCC1)(C(=O)OC)c1ccccc1 ZINC000045225712 175332537 /nfs/dbraw/zinc/33/25/37/175332537.db2.gz AFEHKKSOYZVNEI-QGZVFWFLSA-N 0 3 290.407 2.150 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCCC[C@@H]1CC)NC1CC1 ZINC000045265892 175338787 /nfs/dbraw/zinc/33/87/87/175338787.db2.gz KHTDHJGXHHHPKJ-HOCLYGCPSA-N 0 3 282.428 2.325 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265912 175339415 /nfs/dbraw/zinc/33/94/15/175339415.db2.gz NFNPUAOGPIFMOU-ZFWWWQNUSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@@](C)(CN(CC)CCC)C(=O)OCC ZINC000045267570 175340310 /nfs/dbraw/zinc/34/03/10/175340310.db2.gz SDAHMPHISZSMHC-AWEZNQCLSA-N 0 3 258.406 2.040 10 0 CEAEHN CCOC(=O)[C@@](N)(CN(C)C[C@@H](C)CC)c1ccccc1 ZINC000045268310 175340595 /nfs/dbraw/zinc/34/05/95/175340595.db2.gz SBBHLEYUQCYRJM-WMLDXEAASA-N 0 3 292.423 2.382 10 0 CEAEHN COC(=O)[C@@](N)(CN(CC(C)C)C1CC1)c1ccccc1 ZINC000045277449 175347207 /nfs/dbraw/zinc/34/72/07/175347207.db2.gz HJFUICPJGYJYPP-QGZVFWFLSA-N 0 3 290.407 2.134 10 0 CEAEHN CCC1CCN(C[C@](N)(C(=O)OC)c2ccccc2)CC1 ZINC000045281334 175351865 /nfs/dbraw/zinc/35/18/65/175351865.db2.gz JTNVBNAVTWEMQX-QGZVFWFLSA-N 0 3 290.407 2.136 10 0 CEAEHN CCCN(CCC)C[C@@H](NC(C)C)C(=O)OCC ZINC000045378464 175367819 /nfs/dbraw/zinc/36/78/19/175367819.db2.gz WUYXXRMIFBGFJB-CYBMUJFWSA-N 0 3 258.406 2.038 10 0 CEAEHN CC[NH2+][C@](C)(CCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000045378773 175368282 /nfs/dbraw/zinc/36/82/82/175368282.db2.gz CJROJGSSRYBNMM-QGZVFWFLSA-N 0 3 290.407 2.278 10 0 CEAEHN CCCCN(CCCC)C[C@@H](NC)C(=O)OCC ZINC000045380501 175369055 /nfs/dbraw/zinc/36/90/55/175369055.db2.gz DEQMMUCVZIHZCV-CYBMUJFWSA-N 0 3 258.406 2.040 10 0 CEAEHN Cc1nccc(CNc2cccc(OCCN(C)C)c2)n1 ZINC000054790458 175564181 /nfs/dbraw/zinc/56/41/81/175564181.db2.gz ORLIJVVUYRMXQA-UHFFFAOYSA-N 0 3 286.379 2.338 10 0 CEAEHN COc1ccc(C[C@@H](N)c2cc(C)cnc2N)cc1OC ZINC000070404680 175912225 /nfs/dbraw/zinc/91/22/25/175912225.db2.gz ZVAVPZJFMZHXEF-CYBMUJFWSA-N 0 3 287.363 2.232 10 0 CEAEHN CCC[C@@H](CC)NS(=O)(=O)c1cc(CN)ccc1C ZINC000070431146 175926643 /nfs/dbraw/zinc/92/66/43/175926643.db2.gz KBVKPQQYHFDTCN-CYBMUJFWSA-N 0 3 284.425 2.311 10 0 CEAEHN CCCN(CC(F)(F)F)C[C@@](O)(CN)c1ccccc1 ZINC000070521409 175966651 /nfs/dbraw/zinc/96/66/51/175966651.db2.gz DIKSLHHJXCRYNP-ZDUSSCGKSA-N 0 3 290.329 2.107 10 0 CEAEHN CN(CCOc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000070869832 176009547 /nfs/dbraw/zinc/00/95/47/176009547.db2.gz WFHJEEYAQHLTKC-CQSZACIVSA-N 0 3 299.386 2.312 10 0 CEAEHN C[C@H](N)c1csc(NC(=O)CC(F)(F)F)n1 ZINC000070884903 176010217 /nfs/dbraw/zinc/01/02/17/176010217.db2.gz RORVMDYRHFJYFM-BYPYZUCNSA-N 0 3 253.249 2.054 10 0 CEAEHN CCN[C@@H]1CCN(CCC2CCC(C)CC2)C1=O ZINC000071029736 176022211 /nfs/dbraw/zinc/02/22/11/176022211.db2.gz FXOKVPGTAUXSIA-JXQTWKCFSA-N 0 3 252.402 2.413 10 0 CEAEHN CCN(CC)c1ccc(N2CC[C@H](NC3CC3)C2=O)cc1 ZINC000071031301 176022499 /nfs/dbraw/zinc/02/24/99/176022499.db2.gz FRKPHGYWYZETBD-INIZCTEOSA-N 0 3 287.407 2.390 10 0 CEAEHN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071032079 176022820 /nfs/dbraw/zinc/02/28/20/176022820.db2.gz AYTXKWMBKAMEGM-IINYFYTJSA-N 0 3 262.328 2.240 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000071031712 176023233 /nfs/dbraw/zinc/02/32/33/176023233.db2.gz NLBNKSOEDHRGPX-OWCLPIDISA-N 0 3 270.376 2.286 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1cccc(Cl)c1 ZINC000071032561 176023741 /nfs/dbraw/zinc/02/37/41/176023741.db2.gz YDRMVABXSXCWKW-GFCCVEGCSA-N 0 3 250.729 2.197 10 0 CEAEHN CC(C)c1csc(N2CC[C@H](NC3CC3)C2=O)n1 ZINC000071033783 176024184 /nfs/dbraw/zinc/02/41/84/176024184.db2.gz SUDJVFCUYVWCNB-JTQLQIEISA-N 0 3 265.382 2.124 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1C1CCCCCC1 ZINC000071039664 176026966 /nfs/dbraw/zinc/02/69/66/176026966.db2.gz MNQAXJFOCXUPDZ-CQSZACIVSA-N 0 3 250.386 2.452 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1Cc1ccc(Cl)cc1 ZINC000071038658 176027108 /nfs/dbraw/zinc/02/71/08/176027108.db2.gz FSKMHZWSWJAKTO-ZDUSSCGKSA-N 0 3 264.756 2.193 10 0 CEAEHN C[C@H](c1cccs1)N1CC[C@H](NC2CC2)C1=O ZINC000071040247 176027670 /nfs/dbraw/zinc/02/76/70/176027670.db2.gz RFGQZENECPMQTD-KOLCDFICSA-N 0 3 250.367 2.162 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1CCC1CCCC1 ZINC000071041399 176028025 /nfs/dbraw/zinc/02/80/25/176028025.db2.gz MNDGBEQNSBLGAU-CQSZACIVSA-N 0 3 250.386 2.310 10 0 CEAEHN CCN[C@@H]1CCCN(c2ccc(OC)cc2C)C1=O ZINC000071042625 176028475 /nfs/dbraw/zinc/02/84/75/176028475.db2.gz ITCIBYFONMSWKA-CYBMUJFWSA-N 0 3 262.353 2.109 10 0 CEAEHN CC(C)NCc1cc(Cl)ccc1O[C@@H]1CCN(C)C1=O ZINC000071182838 176058048 /nfs/dbraw/zinc/05/80/48/176058048.db2.gz IXBSAVHPCNWLJP-CQSZACIVSA-N 0 3 296.798 2.448 10 0 CEAEHN Cc1cc(C)c(CN)c(N[C@@H](CO)Cc2ccccc2)n1 ZINC000071187521 176060607 /nfs/dbraw/zinc/06/06/07/176060607.db2.gz MQDUHFJBINIZPM-OAHLLOKOSA-N 0 3 285.391 2.173 10 0 CEAEHN COCCN(CCC(N)=S)Cc1cccc(Cl)c1 ZINC000071225917 176089796 /nfs/dbraw/zinc/08/97/96/176089796.db2.gz RXIDLICSKVZDRK-UHFFFAOYSA-N 0 3 286.828 2.465 10 0 CEAEHN NC(=S)c1cc(F)ccc1CN1CCCC[C@@H]1CCO ZINC000071265693 176099439 /nfs/dbraw/zinc/09/94/39/176099439.db2.gz OEDOJCAHFHUARI-CYBMUJFWSA-N 0 3 296.411 2.197 10 0 CEAEHN C[C@@H](Cc1cccs1)NCC(=O)NC(C)(C)C ZINC000071270203 176103840 /nfs/dbraw/zinc/10/38/40/176103840.db2.gz CTMWFEXXYHMUDC-JTQLQIEISA-N 0 3 254.399 2.183 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335725 176127077 /nfs/dbraw/zinc/12/70/77/176127077.db2.gz LPAWJGJYRHHDMJ-CYBMUJFWSA-N 0 3 299.459 2.172 10 0 CEAEHN CCN(CCn1ccc(N)n1)Cc1cccs1 ZINC000071378027 176142729 /nfs/dbraw/zinc/14/27/29/176142729.db2.gz WWKPOWBGBFNRNM-UHFFFAOYSA-N 0 3 250.371 2.049 10 0 CEAEHN CC[C@@H]1CCC[C@@H](N2CCN(CC(C)(C)O)CC2)C1 ZINC000071382256 176145744 /nfs/dbraw/zinc/14/57/44/176145744.db2.gz YFLMLAQMBIOVSL-HUUCEWRRSA-N 0 3 268.445 2.344 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1CN ZINC000071403372 176154724 /nfs/dbraw/zinc/15/47/24/176154724.db2.gz SNDDMPUXBSGOTH-VXGBXAGGSA-N 0 3 264.369 2.136 10 0 CEAEHN CCNCc1cc(C)ccc1OCC(=O)NC(C)C ZINC000071406111 176155788 /nfs/dbraw/zinc/15/57/88/176155788.db2.gz ZDAGIRFFVHRKBT-UHFFFAOYSA-N 0 3 264.369 2.008 10 0 CEAEHN CN[C@H](CCO)c1ccc(Br)s1 ZINC000071571741 176197452 /nfs/dbraw/zinc/19/74/52/176197452.db2.gz XYIQBIFYAZLDPN-ZCFIWIBFSA-N 0 3 250.161 2.154 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCCCC2)cc1F ZINC000071574202 176200888 /nfs/dbraw/zinc/20/08/88/176200888.db2.gz IFHCUPHURCCKBU-CYBMUJFWSA-N 0 3 252.333 2.320 10 0 CEAEHN Cc1cnc([C@H](C)NC(=O)c2cc3c(s2)CCNC3)o1 ZINC000662514383 415871313 /nfs/dbraw/zinc/87/13/13/415871313.db2.gz NCRLOEFNPOZORV-VIFPVBQESA-N 0 3 291.376 2.181 10 0 CEAEHN CNCC(=O)N[C@@H](C)c1ccc(OC(C)C)c(C)c1 ZINC000076368881 177006000 /nfs/dbraw/zinc/00/60/00/177006000.db2.gz KDTUEJPPICCPOD-LBPRGKRZSA-N 0 3 264.369 2.179 10 0 CEAEHN COCC(C)(C)NC[C@@H](O)c1ccccc1Cl ZINC000076494488 177028753 /nfs/dbraw/zinc/02/87/53/177028753.db2.gz YOOBQMGOMBNANF-GFCCVEGCSA-N 0 3 257.761 2.388 10 0 CEAEHN CC[C@H](C)N(Cc1cc(C)ccc1OC)C(=O)CN ZINC000076680176 177058058 /nfs/dbraw/zinc/05/80/58/177058058.db2.gz UBNXJVSSLCXNQP-LBPRGKRZSA-N 0 3 264.369 2.089 10 0 CEAEHN COc1ccc(Br)cc1Cn1nccc1CN ZINC000080052406 177603369 /nfs/dbraw/zinc/60/33/69/177603369.db2.gz LCDYUULNSXLRSH-UHFFFAOYSA-N 0 3 296.168 2.161 10 0 CEAEHN CO[C@@H]1CCC[C@H]1N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000224437408 270308980 /nfs/dbraw/zinc/30/89/80/270308980.db2.gz STVAQOBOIWYIJK-UMVBOHGHSA-N 0 3 274.364 2.251 10 0 CEAEHN O[C@@H]1CC[C@H]2CN(Cc3nc4ccccc4o3)C[C@H]2C1 ZINC000399018292 270366182 /nfs/dbraw/zinc/36/61/82/270366182.db2.gz UGLIEFGULPDIJN-YNEHKIRRSA-N 0 3 272.348 2.421 10 0 CEAEHN C[C@@H]1CN(c2cc(C(F)(F)F)ccn2)[C@H](C)CN1 ZINC000090804057 274361724 /nfs/dbraw/zinc/36/17/24/274361724.db2.gz XYYLWWKVDLLTNM-RKDXNWHRSA-N 0 3 259.275 2.287 10 0 CEAEHN O=C(C[C@H]1CSCCN1)N[C@H]1CCCc2ccccc21 ZINC000091134577 274977862 /nfs/dbraw/zinc/97/78/62/274977862.db2.gz CAFHXVBNTHDEQR-ZFWWWQNUSA-N 0 3 290.432 2.275 10 0 CEAEHN CC(C)c1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263203997 276047906 /nfs/dbraw/zinc/04/79/06/276047906.db2.gz JMTKKHIPSMWQEV-AWEZNQCLSA-N 0 3 286.379 2.436 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cc(C)cc(C)n2)C1 ZINC000184227282 276178246 /nfs/dbraw/zinc/17/82/46/276178246.db2.gz PHJRDEZEZQWXBM-ZDUSSCGKSA-N 0 3 276.384 2.304 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1 ZINC000245465006 276371029 /nfs/dbraw/zinc/37/10/29/276371029.db2.gz IGASTTOZIXNEAZ-GDBMZVCRSA-N 0 3 289.423 2.430 10 0 CEAEHN CN1C(=O)C[C@@H](N)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062208845 277011740 /nfs/dbraw/zinc/01/17/40/277011740.db2.gz ZTQYNKILRPFDCR-MWLCHTKSSA-N 0 3 259.136 2.224 10 0 CEAEHN CC(=O)c1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000113444759 277109357 /nfs/dbraw/zinc/10/93/57/277109357.db2.gz QBUKMMNVDSEHRL-BLLLJJGKSA-N 0 3 286.375 2.198 10 0 CEAEHN COc1cc2c(c(OC)c1OC)CNCC2(C)C ZINC000057538634 277390815 /nfs/dbraw/zinc/39/08/15/277390815.db2.gz VVNWCSXTEFABGZ-UHFFFAOYSA-N 0 3 251.326 2.093 10 0 CEAEHN COc1c(C)cnc(CN[C@H](C)[C@@H]2CCCO2)c1C ZINC000035735736 277785878 /nfs/dbraw/zinc/78/58/78/277785878.db2.gz PFRALRBXFSZNRM-OCCSQVGLSA-N 0 3 264.369 2.364 10 0 CEAEHN CC(C)C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180597810 279003764 /nfs/dbraw/zinc/00/37/64/279003764.db2.gz QDYPTZIXCHKATH-DZGCQCFKSA-N 0 3 285.395 2.365 10 0 CEAEHN CC[C@H](O)CN1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000123558445 288110570 /nfs/dbraw/zinc/11/05/70/288110570.db2.gz OKMSQYZLKDZUAB-QCUIPMNBSA-N 0 3 288.435 2.478 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000190531280 279294945 /nfs/dbraw/zinc/29/49/45/279294945.db2.gz PQURSAGXENSTJO-GFCCVEGCSA-N 0 3 293.415 2.244 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)c1nc(C)cs1)N(C)C ZINC000131938044 279968387 /nfs/dbraw/zinc/96/83/87/279968387.db2.gz CKBMPCRRJAHXLD-WDEREUQCSA-N 0 3 269.414 2.359 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC1CCCCC1 ZINC000135556698 280049314 /nfs/dbraw/zinc/04/93/14/280049314.db2.gz WOANVXXZPNUWFP-AWEZNQCLSA-N 0 3 267.417 2.445 10 0 CEAEHN CCC[C@H](C(=O)NCCO[C@H]1CCCC[C@@H]1C)N(C)C ZINC000136126998 280058411 /nfs/dbraw/zinc/05/84/11/280058411.db2.gz BOLUEAIXIUJQCW-ZNMIVQPWSA-N 0 3 284.444 2.428 10 0 CEAEHN CCc1cnc(CN2C[C@H]3CCCCN3C[C@@H]2C)o1 ZINC000229726627 280218148 /nfs/dbraw/zinc/21/81/48/280218148.db2.gz GQHBQOMWSJHEKZ-QWHCGFSZSA-N 0 3 263.385 2.296 10 0 CEAEHN Cc1c(NC(=O)[C@@H]2CCCN2C2CCCC2)cnn1C ZINC000333108351 280245288 /nfs/dbraw/zinc/24/52/88/280245288.db2.gz WVZQYPPYOUSPBP-AWEZNQCLSA-N 0 3 276.384 2.074 10 0 CEAEHN CCOCCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCC1 ZINC000245679191 280256264 /nfs/dbraw/zinc/25/62/64/280256264.db2.gz JEZKWPJIVZVUMV-HUUCEWRRSA-N 0 3 296.455 2.428 10 0 CEAEHN CCC[C@H](C)CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000245861797 280262930 /nfs/dbraw/zinc/26/29/30/280262930.db2.gz PAJXLGQJQLHWDH-DZGCQCFKSA-N 0 3 265.401 2.329 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000246599757 280302981 /nfs/dbraw/zinc/30/29/81/280302981.db2.gz KJRRRSXNUGCIOS-XHSDSOJGSA-N 0 3 287.407 2.136 10 0 CEAEHN C[C@H](NC(=O)[C@H](C)N(C)C[C@H]1CCOC1)c1ccccc1 ZINC000247081360 280320075 /nfs/dbraw/zinc/32/00/75/280320075.db2.gz PFKVPDOACGAUGO-SOUVJXGZSA-N 0 3 290.407 2.221 10 0 CEAEHN Cc1ccc(CCCN2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000248445769 280347351 /nfs/dbraw/zinc/34/73/51/280347351.db2.gz GPZIPUAOCLVCQG-SJORKVTESA-N 0 3 290.451 2.315 10 0 CEAEHN COc1c(CNC[C@@H](C)CC(F)(F)F)c(C)nn1C ZINC000396900052 280677397 /nfs/dbraw/zinc/67/73/97/280677397.db2.gz CQFWTGKYTNHXMZ-QMMMGPOBSA-N 0 3 279.306 2.415 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@H](C)CS(C)(=O)=O ZINC000081899013 281383083 /nfs/dbraw/zinc/38/30/83/281383083.db2.gz KABJRTRDALLFHL-NEPJUHHUSA-N 0 3 255.383 2.079 10 0 CEAEHN CCc1ccc([C@H](C)NC[C@H](C)N2CCOCC2)o1 ZINC000123569520 281424074 /nfs/dbraw/zinc/42/40/74/281424074.db2.gz MZKNGCMLTMYHDP-STQMWFEESA-N 0 3 266.385 2.213 10 0 CEAEHN COc1c(CNC[C@@H]2CC[C@H]3C[C@H]3C2)c(C)nn1C ZINC000403345164 289289782 /nfs/dbraw/zinc/28/97/82/289289782.db2.gz JUEMGDUBDBTTIM-FRRDWIJNSA-N 0 3 263.385 2.263 10 0 CEAEHN c1sc2ccccc2c1CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000404075474 289291327 /nfs/dbraw/zinc/29/13/27/289291327.db2.gz QNSXLGFXQQUCRV-GJZGRUSLSA-N 0 3 288.416 2.464 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(c2ccccc2)CC1 ZINC000113233845 300312436 /nfs/dbraw/zinc/31/24/36/300312436.db2.gz YTUCPHIMDTVKCZ-GOEBONIOSA-N 0 3 284.403 2.413 10 0 CEAEHN Cc1c(NC(=O)N2CC[C@@H](N(C)C)C2)cccc1N(C)C ZINC000180192684 312764247 /nfs/dbraw/zinc/76/42/47/312764247.db2.gz YHZKZUDGNZJSSO-CYBMUJFWSA-N 0 3 290.411 2.229 10 0 CEAEHN Cc1cccc(CCN2C[C@@H]3CCCCN3C[C@H]2C)n1 ZINC000576460712 314277705 /nfs/dbraw/zinc/27/77/05/314277705.db2.gz BIXZRSWHLWPBIO-WBVHZDCISA-N 0 3 273.424 2.491 10 0 CEAEHN Cc1ccc(C(=O)N2CC[C@H](N(C)C)C2)c(Cl)c1 ZINC000192345885 321793936 /nfs/dbraw/zinc/79/39/36/321793936.db2.gz OSPPSNNCTCDKJM-NSHDSACASA-N 0 3 266.772 2.425 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccc(F)c(Cl)c1 ZINC000054744985 519748914 /nfs/dbraw/zinc/74/89/14/519748914.db2.gz VZFTXCLCIKSDHY-UHFFFAOYSA-N 0 3 283.738 2.200 10 0 CEAEHN CC(C)[C@@H](C)N(C)Cc1cccnc1C(N)=S ZINC000061659746 519791283 /nfs/dbraw/zinc/79/12/83/519791283.db2.gz JRRPWSIKVZOCQO-SNVBAGLBSA-N 0 3 251.399 2.192 10 0 CEAEHN CCNCc1cc(CN2CCO[C@H](CC)C2)c(C)o1 ZINC000052477367 519990260 /nfs/dbraw/zinc/99/02/60/519990260.db2.gz NECSHBUSUFYGPF-CQSZACIVSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCN[C@@H](CCN1CCC(CC)CC1)C(=O)OC ZINC000062526512 520000128 /nfs/dbraw/zinc/00/01/28/520000128.db2.gz LEBRIWZQXPJRCF-AWEZNQCLSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@@H](Cc1ccccc1Cl)CS(C)(=O)=O ZINC000052789209 520014585 /nfs/dbraw/zinc/01/45/85/520014585.db2.gz DOEBWZISFVGILX-LBPRGKRZSA-N 0 3 289.828 2.295 10 0 CEAEHN CCNCc1nccn1CCc1scnc1C ZINC000051004834 520023688 /nfs/dbraw/zinc/02/36/88/520023688.db2.gz WOYXQTCGCKALQN-UHFFFAOYSA-N 0 3 250.371 2.000 10 0 CEAEHN CCCN[C@H](CCN1CCCC(C)(C)C1)C(=O)OC ZINC000069517059 520073667 /nfs/dbraw/zinc/07/36/67/520073667.db2.gz GADCUHWMKNNHGC-CYBMUJFWSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1=O ZINC000061626903 520118028 /nfs/dbraw/zinc/11/80/28/520118028.db2.gz IUDOITHOUASHSK-GFCCVEGCSA-N 0 3 286.297 2.416 10 0 CEAEHN CCCCCN(C)C[C@@](NCC)(C(=O)OCC)C1CC1 ZINC000069098419 520153093 /nfs/dbraw/zinc/15/30/93/520153093.db2.gz CNBNZKCHAUJFKE-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCCCN(C)C[C@](NCC)(C(=O)OCC)C1CC1 ZINC000069098414 520153368 /nfs/dbraw/zinc/15/33/68/520153368.db2.gz CNBNZKCHAUJFKE-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@](CN(C)CC1CCC1)(C(=O)OCC)C1CC1 ZINC000069231932 520242283 /nfs/dbraw/zinc/24/22/83/520242283.db2.gz KIUBEZPYMMHKOB-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCC[C@H](N[C@@H](C)C(=O)NCCOC)c1cccs1 ZINC000049545053 521167725 /nfs/dbraw/zinc/16/77/25/521167725.db2.gz UYLWSVZEYPDBJL-RYUDHWBXSA-N 0 3 284.425 2.330 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCCC[C@@H]1C)NC(C)C ZINC000062440316 521244184 /nfs/dbraw/zinc/24/41/84/521244184.db2.gz LZPZLGCWDTYYFW-KBPBESRZSA-N 0 3 270.417 2.181 10 0 CEAEHN CCOC(=O)[C@H](CN1CCC(CC)(CC)CC1)NC ZINC000062956498 521249378 /nfs/dbraw/zinc/24/93/78/521249378.db2.gz QATLVYNNBNXBOV-ZDUSSCGKSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN(Cc1cc(CN)oc1C)Cc1ccncc1 ZINC000052514992 521289853 /nfs/dbraw/zinc/28/98/53/521289853.db2.gz BFZUTBCVUOPARZ-UHFFFAOYSA-N 0 3 259.353 2.464 10 0 CEAEHN CCOC1CCN(Cc2nc(NN)ccc2Cl)CC1 ZINC000061631129 521656856 /nfs/dbraw/zinc/65/68/56/521656856.db2.gz UZVQWQJRXFMUHV-UHFFFAOYSA-N 0 3 284.791 2.022 10 0 CEAEHN CNCc1cc(C)nc(Cc2cc(F)cc(F)c2)n1 ZINC000054831025 522103585 /nfs/dbraw/zinc/10/35/85/522103585.db2.gz GIJGKIVQCJDLDP-UHFFFAOYSA-N 0 3 263.291 2.373 10 0 CEAEHN COC(=O)c1cc(CN2CCC[C@@H]2CCCO)cs1 ZINC000411218527 533790755 /nfs/dbraw/zinc/79/07/55/533790755.db2.gz OOLXYNWMYHKUHA-GFCCVEGCSA-N 0 3 283.393 2.272 10 0 CEAEHN CN[C@@H](C)c1cnc(N(C)CC(F)(F)F)s1 ZINC000054905079 522337571 /nfs/dbraw/zinc/33/75/71/522337571.db2.gz BNHAOFMSIHADAU-LURJTMIESA-N 0 3 253.293 2.422 10 0 CEAEHN CCc1nc(N(C)[C@@H]2CCSC2)sc1CN ZINC000054996976 522380613 /nfs/dbraw/zinc/38/06/13/522380613.db2.gz DLEFRUSRXALSDM-MRVPVSSYSA-N 0 3 257.428 2.106 10 0 CEAEHN CN[C@@H]1CCN(c2ccc(F)c(C(F)(F)F)c2)C1=O ZINC000049648937 522394835 /nfs/dbraw/zinc/39/48/35/522394835.db2.gz POTOYDIIHGBZAL-SNVBAGLBSA-N 0 3 276.233 2.169 10 0 CEAEHN Brc1cccc(NCCN2CCCC2)n1 ZINC000069018380 518219591 /nfs/dbraw/zinc/21/95/91/518219591.db2.gz PQXPOYGOYKVUEW-UHFFFAOYSA-N 0 3 270.174 2.352 10 0 CEAEHN CC(C)(C)NC(=O)[C@H](CN)Cc1cc(F)c(F)c(F)c1 ZINC000062706147 518748182 /nfs/dbraw/zinc/74/81/82/518748182.db2.gz LTZCRZDUNUFQJE-VIFPVBQESA-N 0 3 288.313 2.136 10 0 CEAEHN CC(C)(C)NCc1ccc(-n2ccc(C3CC3)n2)nn1 ZINC000052885261 518763519 /nfs/dbraw/zinc/76/35/19/518763519.db2.gz NFUOTOYROCCQOP-UHFFFAOYSA-N 0 3 271.368 2.428 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000162963981 518882480 /nfs/dbraw/zinc/88/24/80/518882480.db2.gz GASOVHHPDGIVRS-MRXNPFEDSA-N 0 3 298.471 2.113 10 0 CEAEHN CC(C)C[C@H](CNC(=O)c1ccc2c[nH]nc2c1)N(C)C ZINC000061670511 519350382 /nfs/dbraw/zinc/35/03/82/519350382.db2.gz KKUCDUOOVZSDFK-CQSZACIVSA-N 0 3 288.395 2.269 10 0 CEAEHN CC(C)NC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)N ZINC000062745717 519715505 /nfs/dbraw/zinc/71/55/05/519715505.db2.gz KWDFLFOCEJVBPK-ZJUUUORDSA-N 0 3 268.332 2.137 10 0 CEAEHN CC(C)CN1CCN([C@@H]2CCc3ccccc3[C@H]2O)CC1 ZINC000055080768 519727945 /nfs/dbraw/zinc/72/79/45/519727945.db2.gz OYMBEJYFHGKIRS-QZTJIDSGSA-N 0 3 288.435 2.308 10 0 CEAEHN CC(C)N[C@@H](CCSc1ccccc1F)C(N)=O ZINC000062598457 519734839 /nfs/dbraw/zinc/73/48/39/519734839.db2.gz MPQSRWOSBTYUQZ-NSHDSACASA-N 0 3 270.373 2.160 10 0 CEAEHN CC(C)N[C@@](C)(CSc1cc(F)ccc1F)C(N)=O ZINC000045591082 519735938 /nfs/dbraw/zinc/73/59/38/519735938.db2.gz HTZAQAIOXNKSQO-ZDUSSCGKSA-N 0 3 288.363 2.299 10 0 CEAEHN CC(C)N[C@@](CO[C@H]1CCC[C@@H](C)C1)(C(N)=O)C1CC1 ZINC000069195361 519737534 /nfs/dbraw/zinc/73/75/34/519737534.db2.gz WXTXRUVOVHCJDN-IVMMDQJWSA-N 0 3 282.428 2.214 10 0 CEAEHN CC(C)[NH2+][C@H](CCN1CCCCCCC1)C(=O)[O-] ZINC000062438807 519737966 /nfs/dbraw/zinc/73/79/66/519737966.db2.gz LXAYEDCACSEMOU-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1sccc1N ZINC000049551043 519775725 /nfs/dbraw/zinc/77/57/25/519775725.db2.gz BKIAMZBHBARHLE-JTQLQIEISA-N 0 3 269.414 2.036 10 0 CEAEHN CC(C)[C@@H](N[C@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000049554884 519799794 /nfs/dbraw/zinc/79/97/94/519799794.db2.gz CWMMBUHFAGCYDS-SMDDNHRTSA-N 0 3 292.404 2.325 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1cc2cc(N)ccc2o1 ZINC000049192085 519814371 /nfs/dbraw/zinc/81/43/71/519814371.db2.gz ARFVWBSQLDVNCN-ZDUSSCGKSA-N 0 3 289.379 2.331 10 0 CEAEHN CC(C)[C@]1(C)CC(=O)N(c2ccc3c(c2)CNCC3)C1=O ZINC000069052866 519829843 /nfs/dbraw/zinc/82/98/43/519829843.db2.gz WLHQXAARBSTCMF-KRWDZBQOSA-N 0 3 286.375 2.258 10 0 CEAEHN CCCN1CCN(c2ncc([C@@H](C)NCC)s2)CC1 ZINC000054899193 519860862 /nfs/dbraw/zinc/86/08/62/519860862.db2.gz PUMOWNLMZGHBTJ-GFCCVEGCSA-N 0 3 282.457 2.346 10 0 CEAEHN CC(C)c1ncc(-n2ccc(C3CC3)n2)c(CN)n1 ZINC000052885207 519872650 /nfs/dbraw/zinc/87/26/50/519872650.db2.gz OQLMNDYWCRSTHD-UHFFFAOYSA-N 0 3 257.341 2.122 10 0 CEAEHN CCNCc1c(C)nn([C@@H]2CCCCC[C@@H]2O)c1C ZINC000054600447 519984591 /nfs/dbraw/zinc/98/45/91/519984591.db2.gz HRDRGGKUHWHQNZ-CABCVRRESA-N 0 3 265.401 2.476 10 0 CEAEHN CCNCc1cc(CN2CCO[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000052540364 519990678 /nfs/dbraw/zinc/99/06/78/519990678.db2.gz TVYOPQPTLIIRJS-JKSUJKDBSA-N 0 3 278.396 2.451 10 0 CEAEHN CCNCc1cc(CN2C[C@H](C)O[C@@H](C)C2)oc1C ZINC000052380326 519991461 /nfs/dbraw/zinc/99/14/61/519991461.db2.gz DSIIEOVBLKFREN-RYUDHWBXSA-N 0 3 266.385 2.307 10 0 CEAEHN CCNCc1occc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000052543482 520029972 /nfs/dbraw/zinc/02/99/72/520029972.db2.gz DVVVVSXMYYRYNP-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN CCCN[C@@](CN(C)c1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069231391 520049593 /nfs/dbraw/zinc/04/95/93/520049593.db2.gz RMHBWXHSVFCBMG-QGZVFWFLSA-N 0 3 289.423 2.065 10 0 CEAEHN CCCN[C@@](CN(C)C[C@@H]1C[C@@H]1C)(C(=O)OCC)C1CC1 ZINC000069233519 520049795 /nfs/dbraw/zinc/04/97/95/520049795.db2.gz LYEVAQJPLYQZIF-GRDNDAEWSA-N 0 3 296.455 2.286 10 0 CEAEHN CCCN[C@H](CCN1CCCC(C)(C)C1)C(=O)OCC ZINC000069517043 520074460 /nfs/dbraw/zinc/07/44/60/520074460.db2.gz VPHSSWNWROCJHZ-CQSZACIVSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC ZINC000062747034 520076399 /nfs/dbraw/zinc/07/63/99/520076399.db2.gz QFHGBCPJMORMHK-UWVGGRQHSA-N 0 3 268.332 2.010 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1)[C@H](C)S(C)(=O)=O ZINC000054930581 520091272 /nfs/dbraw/zinc/09/12/72/520091272.db2.gz OOLUSAVTZAZKCV-FZMZJTMJSA-N 0 3 285.409 2.169 10 0 CEAEHN CCCN[C@](C)(CCOc1ccc(CC)cc1)C(N)=O ZINC000045513374 520108186 /nfs/dbraw/zinc/10/81/86/520108186.db2.gz JJFVUKGZQLVOMS-MRXNPFEDSA-N 0 3 278.396 2.262 10 0 CEAEHN CCN[C@@H]1COc2cc(OC[C@@H]3CCCO3)ccc21 ZINC000062804719 520124533 /nfs/dbraw/zinc/12/45/33/520124533.db2.gz IMWGLHAULYAXCZ-GXTWGEPZSA-N 0 3 263.337 2.287 10 0 CEAEHN CCN[C@@H]1COc2cc(O[C@@H](C)C(=O)NC(C)C)ccc21 ZINC000062804845 520124560 /nfs/dbraw/zinc/12/45/60/520124560.db2.gz IVCXPPOILIHSJE-SMDDNHRTSA-N 0 3 292.379 2.022 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Sc1ccc(OC)cc1)C(N)=O ZINC000068635819 520142987 /nfs/dbraw/zinc/14/29/87/520142987.db2.gz QGSHQZPNZRQSSD-ABAIWWIYSA-N 0 3 296.436 2.419 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1ccccc1CC)C(N)=O ZINC000068657442 520147640 /nfs/dbraw/zinc/14/76/40/520147640.db2.gz UYTWDOWKSQYSEL-LRDDRELGSA-N 0 3 278.396 2.260 10 0 CEAEHN CCCNc1ccc(C(=O)N[C@@H]2CCCN(CC)C2)cn1 ZINC000050777688 520149377 /nfs/dbraw/zinc/14/93/77/520149377.db2.gz FJYZHZLVDPHDQD-CQSZACIVSA-N 0 3 290.411 2.118 10 0 CEAEHN CCCNc1ccc(C(=O)N[C@@H](CN(C)C)C(C)C)cn1 ZINC000050779702 520149533 /nfs/dbraw/zinc/14/95/33/520149533.db2.gz HBMOMJMGQNECKC-AWEZNQCLSA-N 0 3 292.427 2.220 10 0 CEAEHN CCCNc1ccnc(C(=O)N[C@@H](CN(C)C)C(C)C)c1 ZINC000050779680 520185094 /nfs/dbraw/zinc/18/50/94/520185094.db2.gz BBXYJSRXDGZRHT-HNNXBMFYSA-N 0 3 292.427 2.220 10 0 CEAEHN CCN[C@H](CCSc1ccc(Cl)cc1)C(N)=O ZINC000062597832 520194893 /nfs/dbraw/zinc/19/48/93/520194893.db2.gz SWUVDAXAFQUMPD-LLVKDONJSA-N 0 3 272.801 2.286 10 0 CEAEHN CCN[C@H](c1ccc(OCC)cc1)[C@@H]1COCCO1 ZINC000055299923 520209456 /nfs/dbraw/zinc/20/94/56/520209456.db2.gz NOZZOCOKUIVTTG-LSDHHAIUSA-N 0 3 265.353 2.151 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000062806660 520209940 /nfs/dbraw/zinc/20/99/40/520209940.db2.gz CQBWMBNTXCDTIS-NVXWUHKLSA-N 0 3 288.391 2.425 10 0 CEAEHN CCCCCNC(=O)[C@@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555836 520212922 /nfs/dbraw/zinc/21/29/22/520212922.db2.gz TZRCIOOLNXMBAM-CABCVRRESA-N 0 3 285.476 2.247 10 0 CEAEHN CCN[C@H]1COc2cc(OCc3nnc(C)o3)ccc21 ZINC000062804668 520221772 /nfs/dbraw/zinc/22/17/72/520221772.db2.gz RPBQDMZBGNAGTQ-LBPRGKRZSA-N 0 3 275.308 2.000 10 0 CEAEHN CCN[C@](CN1CCC(CC)CC1)(C(=O)OCC)C1CC1 ZINC000069183865 520247016 /nfs/dbraw/zinc/24/70/16/520247016.db2.gz QPSWRQDFOVQTAD-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCN[C@](COc1c(C)ccc(C)c1C)(C(N)=O)C1CC1 ZINC000069197930 520251152 /nfs/dbraw/zinc/25/11/52/520251152.db2.gz USNPDFOZXHIKHL-KRWDZBQOSA-N 0 3 290.407 2.234 10 0 CEAEHN CCNc1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)ccn1 ZINC000050777064 520263496 /nfs/dbraw/zinc/26/34/96/520263496.db2.gz IPMFNFICCFFLRM-AWEZNQCLSA-N 0 3 292.427 2.220 10 0 CEAEHN CCNc1ccc(C(=O)NC[C@@H]2CCCCN2C)cc1 ZINC000050777807 520287806 /nfs/dbraw/zinc/28/78/06/520287806.db2.gz PKKCRURNCXQDFX-HNNXBMFYSA-N 0 3 275.396 2.333 10 0 CEAEHN CCNc1ccc(C(=O)N[C@H](C)CN2CCCC2)cc1 ZINC000050787865 520292665 /nfs/dbraw/zinc/29/26/65/520292665.db2.gz REWMNKHLPYLKEK-CYBMUJFWSA-N 0 3 275.396 2.333 10 0 CEAEHN CCNc1ccccc1C(=O)N1CCC[C@H]1CN(C)C ZINC000061656060 520338265 /nfs/dbraw/zinc/33/82/65/520338265.db2.gz AZBJDBCFUQQGIL-ZDUSSCGKSA-N 0 3 275.396 2.285 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2cccc(O)c2)C12CCOCC2 ZINC000186306458 520372484 /nfs/dbraw/zinc/37/24/84/520372484.db2.gz ZDWLRFZQCGMPSN-HZPDHXFCSA-N 0 3 291.391 2.456 10 0 CEAEHN CCOC(=O)C1(NCCN(C)C)CCC(C(C)C)CC1 ZINC000054557448 520470641 /nfs/dbraw/zinc/47/06/41/520470641.db2.gz IDIMHROGKSNVEB-UHFFFAOYSA-N 0 3 284.444 2.286 10 0 CEAEHN CC1(C)COCCN1Cc1ccoc1CNC1CC1 ZINC000052546110 520508203 /nfs/dbraw/zinc/50/82/03/520508203.db2.gz AHEWZOLCTRRCSE-UHFFFAOYSA-N 0 3 264.369 2.142 10 0 CEAEHN CCCCN(C[C@@](NC)(C(=O)OCC)C1CC1)C1CC1 ZINC000069131820 520541296 /nfs/dbraw/zinc/54/12/96/520541296.db2.gz FFXRQIBJTYOZLD-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCCN(C[C@](NCC)(C(=O)OC)C1CC1)C1CC1 ZINC000069131837 520541621 /nfs/dbraw/zinc/54/16/21/520541621.db2.gz ZNBSMGAMMBRNIX-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCN(CCOC)Cc1c2ccccc2oc1CN ZINC000052542686 521134850 /nfs/dbraw/zinc/13/48/50/521134850.db2.gz CNIKHGPIXPGPJG-UHFFFAOYSA-N 0 3 262.353 2.360 10 0 CEAEHN CCOC(=O)[C@@](CN1CCC[C@@H]1C)(NC(C)C)C1CC1 ZINC000069088654 521166641 /nfs/dbraw/zinc/16/66/41/521166641.db2.gz ILXYVJUQTHDKFC-BBRMVZONSA-N 0 3 282.428 2.181 10 0 CEAEHN CCN(Cc1cccnc1C(N)=S)CC(C)C ZINC000061659709 521397957 /nfs/dbraw/zinc/39/79/57/521397957.db2.gz WJBZGUVRXIPYIN-UHFFFAOYSA-N 0 3 251.399 2.194 10 0 CEAEHN CCN(Cc1csc(CNC(C)C)n1)[C@H](C)COC ZINC000052504654 521443307 /nfs/dbraw/zinc/44/33/07/521443307.db2.gz RCZCUQRSUGKECX-GFCCVEGCSA-N 0 3 285.457 2.498 10 0 CEAEHN CCN(c1nc2c(s1)[C@H](N)CCC2)[C@@H](C)COC ZINC000054896671 521505868 /nfs/dbraw/zinc/50/58/68/521505868.db2.gz VLYLSBLPSMXBOG-VHSXEESVSA-N 0 3 269.414 2.340 10 0 CEAEHN CCCN(CCC)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051096053 521643354 /nfs/dbraw/zinc/64/33/54/521643354.db2.gz IIZWBKAPEJXHQC-UHFFFAOYSA-N 0 3 270.764 2.283 10 0 CEAEHN CCOC1CCN(Cc2cc(CNC)c(C)o2)CC1 ZINC000052483989 521655961 /nfs/dbraw/zinc/65/59/61/521655961.db2.gz PPBPSCIJRUXNER-UHFFFAOYSA-N 0 3 266.385 2.308 10 0 CEAEHN CCOC1CCN(Cc2ccc(N)c(F)c2)CC1 ZINC000063011360 521656709 /nfs/dbraw/zinc/65/67/09/521656709.db2.gz BXXCJIQUOZSDPS-UHFFFAOYSA-N 0 3 252.333 2.409 10 0 CEAEHN CCCN(CCO)Cc1cc2ccccc2nc1NC ZINC000050815783 521667257 /nfs/dbraw/zinc/66/72/57/521667257.db2.gz NPOFZCVYHXXJII-UHFFFAOYSA-N 0 3 273.380 2.481 10 0 CEAEHN CN(C)CCN[C@@H](CO)c1csc2ccccc12 ZINC000054465893 521790654 /nfs/dbraw/zinc/79/06/54/521790654.db2.gz SLABVVZXOIFGFM-ZDUSSCGKSA-N 0 3 264.394 2.086 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1ccc(C=O)cc1F ZINC000061644946 521842776 /nfs/dbraw/zinc/84/27/76/521842776.db2.gz LOPZYBVVWFBDDY-LBPRGKRZSA-N 0 3 250.317 2.169 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1nc(C2CC2)c(CO)s1 ZINC000069183233 521846333 /nfs/dbraw/zinc/84/63/33/521846333.db2.gz MNMQGMZOBAZDIA-NSHDSACASA-N 0 3 281.425 2.043 10 0 CEAEHN CN(C)C[C@H]1CCCN1CC(=O)c1ccc(F)cc1F ZINC000061645616 521865730 /nfs/dbraw/zinc/86/57/30/521865730.db2.gz WQYDPLNGMHOSNB-GFCCVEGCSA-N 0 3 282.334 2.174 10 0 CEAEHN CCc1ccccc1[C@@H](CN)N1CCOCC1(C)C ZINC000052203698 521932563 /nfs/dbraw/zinc/93/25/63/521932563.db2.gz PDHAPECFQVAMKW-OAHLLOKOSA-N 0 3 262.397 2.360 10 0 CEAEHN CCc1ccccc1[C@H](CN)N1CCOC[C@@H]1CC ZINC000052203581 521952759 /nfs/dbraw/zinc/95/27/59/521952759.db2.gz XJLPDWBWMVCIRW-HOCLYGCPSA-N 0 3 262.397 2.360 10 0 CEAEHN CNCc1cc(CN(C)[C@@H]2CCCC[C@@H]2C)on1 ZINC000052546716 522105086 /nfs/dbraw/zinc/10/50/86/522105086.db2.gz VQNVFQFBYUSYMQ-SMDDNHRTSA-N 0 3 251.374 2.405 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@](C)(CO)c2ccccc2)CC1 ZINC000055072916 522125134 /nfs/dbraw/zinc/12/51/34/522125134.db2.gz ZPHWGPSYJJHVCZ-SJLPKXTDSA-N 0 3 290.451 2.353 10 0 CEAEHN CNCc1coc(CN2CCN(c3ccccc3)CC2)c1 ZINC000052417327 522148454 /nfs/dbraw/zinc/14/84/54/522148454.db2.gz RHEVYKYLVWNZLI-UHFFFAOYSA-N 0 3 285.391 2.321 10 0 CEAEHN COC(=O)c1ccccc1CN[C@H](CN(C)C)C(C)C ZINC000049198108 522263675 /nfs/dbraw/zinc/26/36/75/522263675.db2.gz XXBZZUJDOJJBHO-OAHLLOKOSA-N 0 3 278.396 2.149 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784731 522345742 /nfs/dbraw/zinc/34/57/42/522345742.db2.gz PTHOBYHQIACRIP-VHSXEESVSA-N 0 3 269.213 2.452 10 0 CEAEHN CN[C@@H](CN1CCN(C)C1=O)c1c(C)cc(C)cc1C ZINC000052885578 522354521 /nfs/dbraw/zinc/35/45/21/522354521.db2.gz DOQCNKLMLCSHQR-AWEZNQCLSA-N 0 3 275.396 2.240 10 0 CEAEHN CN[C@@H](Cn1nc(C)ccc1=O)c1cc(C)ccc1C ZINC000061810244 522363854 /nfs/dbraw/zinc/36/38/54/522363854.db2.gz QOQOYAUVNTUASM-HNNXBMFYSA-N 0 3 271.364 2.129 10 0 CEAEHN CN[C@@H]1COc2cc(OCc3noc(C(C)C)n3)ccc21 ZINC000062804022 522400493 /nfs/dbraw/zinc/40/04/93/522400493.db2.gz CWBAVQQXEOCBLV-GFCCVEGCSA-N 0 3 289.335 2.425 10 0 CEAEHN CN[C@@H]1COc2cc(OC[C@H](O)c3ccccc3)ccc21 ZINC000062804275 522400723 /nfs/dbraw/zinc/40/07/23/522400723.db2.gz WKKFXWKDFWKXSP-CVEARBPZSA-N 0 3 285.343 2.452 10 0 CEAEHN COC(=O)c1oc(CN2CCC[C@H]2CCCO)cc1C ZINC000052762212 522403743 /nfs/dbraw/zinc/40/37/43/522403743.db2.gz AAGUWIZZMPOESQ-LBPRGKRZSA-N 0 3 281.352 2.112 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052395776 522438239 /nfs/dbraw/zinc/43/82/39/522438239.db2.gz YELWSYZFQKTWDN-YIZLIVJESA-N 0 3 264.413 2.315 10 0 CEAEHN CN[C@H](C)c1c(C)nn(CCOCC(F)(F)F)c1C ZINC000054717961 522445642 /nfs/dbraw/zinc/44/56/42/522445642.db2.gz UDKLFODEMIVPSK-MRVPVSSYSA-N 0 3 279.306 2.359 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1nonc1C ZINC000070261460 522446242 /nfs/dbraw/zinc/44/62/42/522446242.db2.gz BBOPRYYGAVYIMF-MRVPVSSYSA-N 0 3 265.288 2.377 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N[C@H](C)CN1CCCC1 ZINC000053004851 522603821 /nfs/dbraw/zinc/60/38/21/522603821.db2.gz REDVIRVOVOZYBA-CYBMUJFWSA-N 0 3 275.396 2.251 10 0 CEAEHN COC(=O)CCOc1c(Cl)cc(Cl)cc1CN ZINC000069317238 523103479 /nfs/dbraw/zinc/10/34/79/523103479.db2.gz XKLKSJNOYUWYKR-UHFFFAOYSA-N 0 3 278.135 2.394 10 0 CEAEHN COc1ccc(-c2cnccn2)cc1CNC1CC1 ZINC000069499239 523152295 /nfs/dbraw/zinc/15/22/95/523152295.db2.gz FWXARKPNSFIFSY-UHFFFAOYSA-N 0 3 255.321 2.404 10 0 CEAEHN CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1CN ZINC000049120937 523223667 /nfs/dbraw/zinc/22/36/67/523223667.db2.gz VGETWBHGNVPSIQ-TZMCWYRMSA-N 0 3 296.436 2.392 10 0 CEAEHN COCCCN(CCOC)c1cc(Cl)ccc1CN ZINC000062786951 523258673 /nfs/dbraw/zinc/25/86/73/523258673.db2.gz WGXRNPYWFCIKII-UHFFFAOYSA-N 0 3 286.803 2.288 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1[C@@H](CN)c1ccccc1F ZINC000048914167 523353462 /nfs/dbraw/zinc/35/34/62/523353462.db2.gz IDKUWEDHJQGFDV-XUJVJEKNSA-N 0 3 266.360 2.325 10 0 CEAEHN CN(Cc1ccnc(C(=N)N)c1)c1ccc(F)cc1 ZINC000068761750 523451257 /nfs/dbraw/zinc/45/12/57/523451257.db2.gz TWUJJLPEEGSLNW-UHFFFAOYSA-N 0 3 258.300 2.141 10 0 CEAEHN CCn1nccc1[C@H](Cc1ccccc1OC)NC ZINC000069471393 523746051 /nfs/dbraw/zinc/74/60/51/523746051.db2.gz KKIITLNNJUWHPI-ZDUSSCGKSA-N 0 3 259.353 2.415 10 0 CEAEHN CN1CCC[C@H](Nc2cccc(Br)n2)C1 ZINC000069017782 523843947 /nfs/dbraw/zinc/84/39/47/523843947.db2.gz FQPBGIJULWRNKM-VIFPVBQESA-N 0 3 270.174 2.350 10 0 CEAEHN CC[C@H](C)CNS(=O)(=O)c1cccc([C@@H](C)NC)c1 ZINC000054489144 523886110 /nfs/dbraw/zinc/88/61/10/523886110.db2.gz BCDCJVRQPGJHOP-NWDGAFQWSA-N 0 3 284.425 2.291 10 0 CEAEHN COCCNC[C@@H](O)c1ccc2cc(OC)ccc2c1 ZINC000055030457 523940111 /nfs/dbraw/zinc/94/01/11/523940111.db2.gz AEUORXXSXCVLPW-MRXNPFEDSA-N 0 3 275.348 2.118 10 0 CEAEHN COCCNCc1cc(F)ccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000062734274 523949916 /nfs/dbraw/zinc/94/99/16/523949916.db2.gz BTSXYVSPARJJRF-CHWSQXEVSA-N 0 3 296.386 2.175 10 0 CEAEHN COCCNCc1cc(F)ccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000062734273 523950205 /nfs/dbraw/zinc/95/02/05/523950205.db2.gz BTSXYVSPARJJRF-STQMWFEESA-N 0 3 296.386 2.175 10 0 CEAEHN COCCNCc1ccccc1N1CCO[C@H]2CCC[C@@H]21 ZINC000062737973 523955835 /nfs/dbraw/zinc/95/58/35/523955835.db2.gz JMCQKTGDTMNDFN-IRXDYDNUSA-N 0 3 290.407 2.180 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H]2CCCCC[C@@H]2O)CC1 ZINC000055069774 523957810 /nfs/dbraw/zinc/95/78/10/523957810.db2.gz LQETYSAFNPJACY-ZNMIVQPWSA-N 0 3 254.418 2.096 10 0 CEAEHN CCc1ccc(OCC[C@@H](NC)C(N)=O)c(C(C)(C)C)c1 ZINC000062546690 524006382 /nfs/dbraw/zinc/00/63/82/524006382.db2.gz IJODISBSGCDXAM-CQSZACIVSA-N 0 3 292.423 2.389 10 0 CEAEHN CNC(=O)CCCOc1c(Cl)cc(Cl)cc1CN ZINC000068816503 524065233 /nfs/dbraw/zinc/06/52/33/524065233.db2.gz XYBZNZAIGORMFW-UHFFFAOYSA-N 0 3 291.178 2.357 10 0 CEAEHN CNC(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000058181929 524080847 /nfs/dbraw/zinc/08/08/47/524080847.db2.gz QEWQNCVPYRSTRF-VXGBXAGGSA-N 0 3 260.381 2.351 10 0 CEAEHN COc1ccc(Cl)cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000062672109 524194684 /nfs/dbraw/zinc/19/46/84/524194684.db2.gz JRVJUFUTEGGXSI-ZJUUUORDSA-N 0 3 282.771 2.171 10 0 CEAEHN Cc1cccc(CN(C)Cc2cccnc2CN)c1 ZINC000061656665 524375508 /nfs/dbraw/zinc/37/55/08/524375508.db2.gz ILTIWOWTIZWERC-UHFFFAOYSA-N 0 3 255.365 2.481 10 0 CEAEHN Cc1ccc(CN)cc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000050430513 524424882 /nfs/dbraw/zinc/42/48/82/524424882.db2.gz GGPWCFSDXGARDN-STQMWFEESA-N 0 3 272.348 2.133 10 0 CEAEHN COc1ccccc1N(C)C(=O)[C@H](CN)c1ccccc1 ZINC000061613226 524524250 /nfs/dbraw/zinc/52/42/50/524524250.db2.gz LBRMMGJFZAYOKZ-CQSZACIVSA-N 0 3 284.359 2.401 10 0 CEAEHN Cc1cccc(N)c1C(=O)N[C@H](C)CN1CCCCC1 ZINC000049500446 524528002 /nfs/dbraw/zinc/52/80/02/524528002.db2.gz SOIPGRXAUMWTRU-CYBMUJFWSA-N 0 3 275.396 2.181 10 0 CEAEHN Cc1ccc(CNC(=O)c2c[nH]c(=NN)c(Cl)c2)s1 ZINC000051093815 524565491 /nfs/dbraw/zinc/56/54/91/524565491.db2.gz BVDZHNOGKKGKKF-UHFFFAOYSA-N 0 3 296.783 2.321 10 0 CEAEHN C[C@@H](CN1CCCCC1)NCc1nccn1C(F)F ZINC000049501704 524607548 /nfs/dbraw/zinc/60/75/48/524607548.db2.gz NWJALHFUOGUMMS-NSHDSACASA-N 0 3 272.343 2.242 10 0 CEAEHN C[C@H](C[C@@](C)(N)C(N)=O)Oc1ccc(C(C)(C)C)cc1 ZINC000068655791 524632047 /nfs/dbraw/zinc/63/20/47/524632047.db2.gz DFWIFHUFDOUBMW-BDJLRTHQSA-N 0 3 278.396 2.344 10 0 CEAEHN C[C@H](C[C@](C)(NC1CC1)C(=O)[O-])[NH+](CC1CC1)CC1CC1 ZINC000068647973 524653984 /nfs/dbraw/zinc/65/39/84/524653984.db2.gz MYOZOTYXJIRFEO-PXAZEXFGSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)Nc1ccc(F)cc1F ZINC000069133542 524697449 /nfs/dbraw/zinc/69/74/49/524697449.db2.gz IALNSMZYXIUXPB-IUCAKERBSA-N 0 3 269.295 2.179 10 0 CEAEHN Cc1cc(CNC(C)(C)C)nc(C[C@@H]2CCCO2)n1 ZINC000054832186 524750943 /nfs/dbraw/zinc/75/09/43/524750943.db2.gz ZYVHJWYQMOHRJX-ZDUSSCGKSA-N 0 3 263.385 2.395 10 0 CEAEHN C[C@@H](Cc1c(F)cccc1F)NCc1ccncn1 ZINC000054789641 524886031 /nfs/dbraw/zinc/88/60/31/524886031.db2.gz LQRRTAJZYAYJAW-JTQLQIEISA-N 0 3 263.291 2.476 10 0 CEAEHN C[C@H]1C[C@H]1NCc1ccc(I)o1 ZINC000052274107 524964087 /nfs/dbraw/zinc/96/40/87/524964087.db2.gz URDGYIVMVUAHSL-POYBYMJQSA-N 0 3 277.105 2.382 10 0 CEAEHN COc1ccc(OC[C@@H](C)O)c(CNC(C)(C)C)c1 ZINC000062727539 524967431 /nfs/dbraw/zinc/96/74/31/524967431.db2.gz VTFYFJFPEILPNH-LLVKDONJSA-N 0 3 267.369 2.343 10 0 CEAEHN COc1ccc(OCc2cccc(OC)n2)c(CN)c1 ZINC000070092949 524975429 /nfs/dbraw/zinc/97/54/29/524975429.db2.gz NRKHVZGDXAPHBW-UHFFFAOYSA-N 0 3 274.320 2.137 10 0 CEAEHN COc1ccc(O[C@H](C)C[C@](C)(NC(C)C)C(N)=O)cc1 ZINC000068656835 524989620 /nfs/dbraw/zinc/98/96/20/524989620.db2.gz JZQZGVMBSXTVAO-WBMJQRKESA-N 0 3 294.395 2.095 10 0 CEAEHN C[C@@H]1CN(Cc2ncccn2)[C@H](c2ccccc2)CN1 ZINC000068698997 525034614 /nfs/dbraw/zinc/03/46/14/525034614.db2.gz JMOYQMCFDCEMGL-HIFRSBDPSA-N 0 3 268.364 2.012 10 0 CEAEHN Cc1ccc(NC(=O)CN[C@@H](C)CN2CCCCC2)cc1 ZINC000049501861 525062608 /nfs/dbraw/zinc/06/26/08/525062608.db2.gz JDIULCVZGNDDDP-HNNXBMFYSA-N 0 3 289.423 2.398 10 0 CEAEHN C[C@@H]1CN(c2ncc(CNC3CC3)s2)[C@H](C)CO1 ZINC000054903462 525073689 /nfs/dbraw/zinc/07/36/89/525073689.db2.gz XPEBZMRCAUTKRM-NXEZZACHSA-N 0 3 267.398 2.009 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc(Cl)ccc1F ZINC000069133049 525094825 /nfs/dbraw/zinc/09/48/25/525094825.db2.gz ZGOOPILTPSSNDN-RKDXNWHRSA-N 0 3 270.735 2.302 10 0 CEAEHN Cc1ccccc1CN(C)C(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000183191725 525120212 /nfs/dbraw/zinc/12/02/12/525120212.db2.gz ANVVPXAMJNEQRX-ZBFHGGJFSA-N 0 3 290.407 2.111 10 0 CEAEHN C[C@@H]1COCCN1Cc1ccoc1CNC(C)(C)C ZINC000052476115 525126650 /nfs/dbraw/zinc/12/66/50/525126650.db2.gz UBGBTOBZAVLNOW-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN Cc1ccccc1NC(=O)CN[C@@H](C)CN1CCCCC1 ZINC000049501870 525238323 /nfs/dbraw/zinc/23/83/23/525238323.db2.gz CRSUXYJRBVFRLL-HNNXBMFYSA-N 0 3 289.423 2.398 10 0 CEAEHN C[C@@H]1C[C@@H]1NCc1ccc(I)o1 ZINC000052274101 525329511 /nfs/dbraw/zinc/32/95/11/525329511.db2.gz URDGYIVMVUAHSL-SVRRBLITSA-N 0 3 277.105 2.382 10 0 CEAEHN Cc1ccc(OC[C@@](NC(C)C)(C(N)=O)C2CC2)cc1 ZINC000069196049 525434622 /nfs/dbraw/zinc/43/46/22/525434622.db2.gz WJJHFADVZSYBCV-INIZCTEOSA-N 0 3 276.380 2.006 10 0 CEAEHN C[C@H](NS(=O)(=O)C[C@H]1CCCCN1)C1CCCCC1 ZINC000052344023 525502011 /nfs/dbraw/zinc/50/20/11/525502011.db2.gz OQCRSHTYZFBINU-GXTWGEPZSA-N 0 3 288.457 2.017 10 0 CEAEHN CSCC[C@H](N)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000049500046 525587234 /nfs/dbraw/zinc/58/72/34/525587234.db2.gz KVJYTEZMWWOLOD-QMMMGPOBSA-N 0 3 287.454 2.460 10 0 CEAEHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(-n2cncn2)cc1 ZINC000183675489 525588010 /nfs/dbraw/zinc/58/80/10/525588010.db2.gz MDURWOVGUGUULV-GLQYFDAESA-N 0 3 286.379 2.077 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ccccc2C1)C(=O)N1CCCC1 ZINC000055420794 525692656 /nfs/dbraw/zinc/69/26/56/525692656.db2.gz ANVKJAQQJIZMMC-CJNGLKHVSA-N 0 3 272.392 2.144 10 0 CEAEHN C[C@H](O)c1cccc(NC(=O)N2CCC[C@H]2CN(C)C)c1 ZINC000061655758 525859229 /nfs/dbraw/zinc/85/92/29/525859229.db2.gz BKBCOMNOUFHGGB-WFASDCNBSA-N 0 3 291.395 2.298 10 0 CEAEHN Cc1ccc([C@H](CN)Sc2ncnc3[nH]cnc32)o1 ZINC000051036334 525953920 /nfs/dbraw/zinc/95/39/20/525953920.db2.gz IIXRETSRKYLJTG-VIFPVBQESA-N 0 3 275.337 2.046 10 0 CEAEHN Cc1cncc([C@@H](C)N[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000184406578 526213666 /nfs/dbraw/zinc/21/36/66/526213666.db2.gz BGQMEUZJSPBDOB-GDBMZVCRSA-N 0 3 297.406 2.500 10 0 CEAEHN Cc1ccc(C)c(-c2cc(N3CCNCC3)n[nH]2)c1 ZINC000062669946 526255390 /nfs/dbraw/zinc/25/53/90/526255390.db2.gz HDYQDDZHLBVZIS-UHFFFAOYSA-N 0 3 256.353 2.103 10 0 CEAEHN c1ccc([C@H]2CN(Cc3cccnc3)CCN2)cc1 ZINC000068693513 526499242 /nfs/dbraw/zinc/49/92/42/526499242.db2.gz FEZJMBNAICLMOE-MRXNPFEDSA-N 0 3 253.349 2.228 10 0 CEAEHN c1cn(-c2ccccc2)nc1CN[C@H]1CN2CCC1CC2 ZINC000061640930 526527316 /nfs/dbraw/zinc/52/73/16/526527316.db2.gz LTZUUVGQOKSNMV-KRWDZBQOSA-N 0 3 282.391 2.056 10 0 CEAEHN Cc1nc(-c2cnccn2)nc(C)c1CNC(C)(C)C ZINC000054854469 526620044 /nfs/dbraw/zinc/62/00/44/526620044.db2.gz LKXWNBCORTVFFI-UHFFFAOYSA-N 0 3 271.368 2.439 10 0 CEAEHN N=C(N)c1ncccc1CN1CCCc2ccccc21 ZINC000061657849 526824114 /nfs/dbraw/zinc/82/41/14/526824114.db2.gz FNZFZOQRWXTEOA-UHFFFAOYSA-N 0 3 266.348 2.318 10 0 CEAEHN N=C(N)c1ncccc1Cn1cc(-c2ccccc2)cn1 ZINC000061658483 526825435 /nfs/dbraw/zinc/82/54/35/526825435.db2.gz PDBYUFWLPRYDCF-UHFFFAOYSA-N 0 3 277.331 2.277 10 0 CEAEHN Cc1nc(CN(C)C(=O)[C@@H](CN)c2ccccc2)cs1 ZINC000061613078 526835140 /nfs/dbraw/zinc/83/51/40/526835140.db2.gz QWZKRJBWPDMFAI-AWEZNQCLSA-N 0 3 289.404 2.152 10 0 CEAEHN Cc1sc(-c2ccccc2)nc1C(=O)NCCN(C)C ZINC000062619571 526860967 /nfs/dbraw/zinc/86/09/67/526860967.db2.gz VPOSPLDULIFLNN-UHFFFAOYSA-N 0 3 289.404 2.410 10 0 CEAEHN Cc1nc(CN[C@@H](C)CN2CCCCC2)oc1C ZINC000049500999 526889975 /nfs/dbraw/zinc/88/99/75/526889975.db2.gz QKMWRZAMWGWZIV-NSHDSACASA-N 0 3 251.374 2.255 10 0 CEAEHN NC(=S)c1ccc(NCCN2CCCC2)c(Cl)c1 ZINC000062796154 527120204 /nfs/dbraw/zinc/12/02/04/527120204.db2.gz IGBBQOFPEMMFBG-UHFFFAOYSA-N 0 3 283.828 2.482 10 0 CEAEHN NCc1cc(Br)ccc1OCCn1cccn1 ZINC000049313552 527246165 /nfs/dbraw/zinc/24/61/65/527246165.db2.gz YAMWHBWKJHAJRT-UHFFFAOYSA-N 0 3 296.168 2.183 10 0 CEAEHN NCc1cc2c(nc1N1CCC[C@@H]1CCCO)CCCC2 ZINC000052756771 527250759 /nfs/dbraw/zinc/25/07/59/527250759.db2.gz AGYORQPAYHPUMR-OAHLLOKOSA-N 0 3 289.423 2.160 10 0 CEAEHN Cc1ncc(COc2ccc3c(c2)OC[C@H]3N)s1 ZINC000062803416 527283477 /nfs/dbraw/zinc/28/34/77/527283477.db2.gz NUUIMZPVMYPJOS-GFCCVEGCSA-N 0 3 262.334 2.423 10 0 CEAEHN NN=c1[nH]cc(C(=O)NCc2ccc(F)cc2)cc1Cl ZINC000051096484 527287530 /nfs/dbraw/zinc/28/75/30/527287530.db2.gz PKGIFUSSPTXRIK-UHFFFAOYSA-N 0 3 294.717 2.090 10 0 CEAEHN N[C@@H](c1cc(Cl)sc1Cl)[C@@H]1COCCO1 ZINC000055299141 527337097 /nfs/dbraw/zinc/33/70/97/527337097.db2.gz YSGRDYIXINLHID-XPUUQOCRSA-N 0 3 268.165 2.470 10 0 CEAEHN N[C@@H]1COc2cc(OCCCOCC(F)(F)F)ccc21 ZINC000062803508 527375867 /nfs/dbraw/zinc/37/58/67/527375867.db2.gz ILTGCBVMDSPGQH-LLVKDONJSA-N 0 3 291.269 2.427 10 0 CEAEHN Nc1cnn(CCN(Cc2cccs2)C2CC2)c1 ZINC000050614812 527538868 /nfs/dbraw/zinc/53/88/68/527538868.db2.gz ZNJINALJLBTHIW-UHFFFAOYSA-N 0 3 262.382 2.191 10 0 CEAEHN Cn1nccc1[C@@H](N)c1ccc(Br)cc1 ZINC000069020281 527623629 /nfs/dbraw/zinc/62/36/29/527623629.db2.gz JXMXFTGCVZYSKL-NSHDSACASA-N 0 3 266.142 2.231 10 0 CEAEHN Cc1nn(C)c(N(CCCO)C(C)C)c1CNC(C)(C)C ZINC000062737644 527670543 /nfs/dbraw/zinc/67/05/43/527670543.db2.gz FDSCHVUQNLHSFB-UHFFFAOYSA-N 0 3 296.459 2.214 10 0 CEAEHN Cc1nn(C)c(N2C[C@@H](C)O[C@H](C)C2)c1CNCC(C)C ZINC000062734261 527676940 /nfs/dbraw/zinc/67/69/40/527676940.db2.gz CLZKAMWOHBKEGK-CHWSQXEVSA-N 0 3 294.443 2.088 10 0 CEAEHN Cc1nn(C)c(N2C[C@@H](C)O[C@@H](C)C2)c1CNC(C)(C)C ZINC000062734257 527677015 /nfs/dbraw/zinc/67/70/15/527677015.db2.gz NOCOEJBTQVLZNU-TXEJJXNPSA-N 0 3 294.443 2.230 10 0 CEAEHN CCO[C@@H]1C[C@H]1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000178876287 527964785 /nfs/dbraw/zinc/96/47/85/527964785.db2.gz CLPAENPQKFTQAX-OWCLPIDISA-N 0 3 290.407 2.351 10 0 CEAEHN CC[C@@H]1CNCCN1c1ncnc2sc(C)c(C)c21 ZINC000110678134 535825045 /nfs/dbraw/zinc/82/50/45/535825045.db2.gz CJIWFURLJTZEPQ-LLVKDONJSA-N 0 3 276.409 2.496 10 0 CEAEHN CC(C)[C@@H]1O[C@]2(CN3CCC2CC3)NCC1(C)C ZINC000757143271 574510326 /nfs/dbraw/zinc/51/03/26/574510326.db2.gz MKWJVAXFVNOIMF-ZFWWWQNUSA-N 0 3 252.402 2.079 10 0 CEAEHN CC[C@@H](C)N=[S@@](=O)(c1ccc(N)cc1)N(C)C ZINC000675074906 567024748 /nfs/dbraw/zinc/02/47/48/567024748.db2.gz JOPUJORKUOTFNE-QGHHPUGFSA-N 0 3 255.387 2.371 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cnsc2)=C[C@H](N)C1 ZINC000675077787 567956361 /nfs/dbraw/zinc/95/63/61/567956361.db2.gz ISCVVXIILVLQOZ-NSHDSACASA-N 0 3 281.381 2.105 10 0 CEAEHN CN(C(=O)n1ccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309704553 625281324 /nfs/dbraw/zinc/28/13/24/625281324.db2.gz HJRFFDVXWSPKTE-HNNXBMFYSA-N 0 3 284.363 2.058 10 0 CEAEHN COc1cc2c(c(Br)c1)OC(C)C2=O ZINC000162998264 627340744 /nfs/dbraw/zinc/34/07/44/627340744.db2.gz AOWIREPHPWFTEK-YFKPBYRVSA-N 0 3 257.083 2.421 10 0 CEAEHN COc1cc2c(O)c(C)oc2c(Br)c1 ZINC000162998264 627340751 /nfs/dbraw/zinc/34/07/51/627340751.db2.gz AOWIREPHPWFTEK-YFKPBYRVSA-N 0 3 257.083 2.421 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000236897855 628740471 /nfs/dbraw/zinc/74/04/71/628740471.db2.gz WBACQQWZLKQWBI-TVQRCGJNSA-N 0 3 278.352 2.094 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2cc(C)nc(Cl)c2)C1 ZINC000180916346 629858422 /nfs/dbraw/zinc/85/84/22/629858422.db2.gz FACDEAMYCRVRQV-LBPRGKRZSA-N 0 3 281.787 2.258 10 0 CEAEHN CO[C@@H](CN)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000227373852 639588273 /nfs/dbraw/zinc/58/82/73/639588273.db2.gz BYRATDLLLVZOAA-HQJQHLMTSA-N 0 3 291.178 2.144 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC000152518550 640258176 /nfs/dbraw/zinc/25/81/76/640258176.db2.gz SIEKUMPOFSGMCQ-QPUJVOFHSA-N 0 3 297.786 2.012 10 0 CEAEHN CCN1CCN(C[C@H](O)c2cc3ccccc3o2)C[C@H]1C ZINC000250389620 640459884 /nfs/dbraw/zinc/45/98/84/640459884.db2.gz XXTLTKJEPPJFOR-HIFRSBDPSA-N 0 3 288.391 2.492 10 0 CEAEHN C[C@@H](N[C@@H]1CCC(=O)NC1=O)c1ccc(C(C)(C)C)cc1 ZINC000089753234 640922342 /nfs/dbraw/zinc/92/23/42/640922342.db2.gz RGBMPTXTJMALGZ-BXUZGUMPSA-N 0 3 288.391 2.440 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccnc(Cl)c2)C1 ZINC000181849331 641600686 /nfs/dbraw/zinc/60/06/86/641600686.db2.gz HYTSRHMTITVYAR-NSHDSACASA-N 0 3 282.775 2.341 10 0 CEAEHN CO[C@H](C)CC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182520103 641671441 /nfs/dbraw/zinc/67/14/41/641671441.db2.gz RHKDNALFLGRKCH-UONOGXRCSA-N 0 3 278.396 2.048 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(Cc2ccccc2)OC)C1 ZINC000184249694 641846283 /nfs/dbraw/zinc/84/62/83/641846283.db2.gz BIQZXTIEKOWGBE-HNNXBMFYSA-N 0 3 291.395 2.244 10 0 CEAEHN CCOC1CC(N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000124450661 187137805 /nfs/dbraw/zinc/13/78/05/187137805.db2.gz ALIFFYDGCZFZFL-GPANFISMSA-N 0 3 262.397 2.446 10 0 CEAEHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc2ccccc2n1 ZINC000124509162 187140637 /nfs/dbraw/zinc/14/06/37/187140637.db2.gz VIRULNSLHMXRDR-GXTWGEPZSA-N 0 3 283.375 2.321 10 0 CEAEHN NC[C@H](O[C@H]1CCOC1)c1cccc(Br)c1 ZINC000082452972 178031468 /nfs/dbraw/zinc/03/14/68/178031468.db2.gz PFEGYZCNJXLPCS-RYUDHWBXSA-N 0 3 286.169 2.254 10 0 CEAEHN NCc1cc(-c2cc(Br)cs2)n[nH]1 ZINC000082567760 178098444 /nfs/dbraw/zinc/09/84/44/178098444.db2.gz SUPLFJVWQDLOMT-UHFFFAOYSA-N 0 3 258.144 2.359 10 0 CEAEHN Cn1cc([C@@H](N)c2ccc(F)cc2Br)cn1 ZINC000034957695 361800042 /nfs/dbraw/zinc/80/00/42/361800042.db2.gz SVXABXRIYBCCLP-LLVKDONJSA-N 0 3 284.132 2.370 10 0 CEAEHN N[C@@H]1CCCc2sc(N3CCSCC3)nc21 ZINC000083117389 178338519 /nfs/dbraw/zinc/33/85/19/178338519.db2.gz LGBUQHSFFMYKMZ-MRVPVSSYSA-N 0 3 255.412 2.032 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCCS1 ZINC000125205168 187174875 /nfs/dbraw/zinc/17/48/75/187174875.db2.gz RRSYKMTYLGELAU-OLZOCXBDSA-N 0 3 285.457 2.008 10 0 CEAEHN COc1ccc(CN[C@@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000037164314 361901886 /nfs/dbraw/zinc/90/18/86/361901886.db2.gz KARMEDYDRYSAGM-OLZOCXBDSA-N 0 3 265.353 2.097 10 0 CEAEHN C[C@H]1C[C@@]2(CN1C)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005827 185150913 /nfs/dbraw/zinc/15/09/13/185150913.db2.gz DPBKPPQLSFUTSC-WFBYXXMGSA-N 0 3 251.301 2.104 10 0 CEAEHN CN1CCC2(CC1)C[C@@H](O)c1ccc(F)cc1O2 ZINC000097005380 185151130 /nfs/dbraw/zinc/15/11/30/185151130.db2.gz CWLCFRCWRLIGMF-GFCCVEGCSA-N 0 3 251.301 2.106 10 0 CEAEHN CCc1ccc([C@@H](C)N[C@H](C)C(=O)NCCCOC)cc1 ZINC000037980706 361971284 /nfs/dbraw/zinc/97/12/84/361971284.db2.gz LRXPFLRGKMGVRU-ZIAGYGMSSA-N 0 3 292.423 2.441 10 0 CEAEHN C[C@@H](NC(=O)CNC1CC1)c1ccccc1Cl ZINC000040415375 361991886 /nfs/dbraw/zinc/99/18/86/361991886.db2.gz LGNRFTVTMVBQLJ-SECBINFHSA-N 0 3 252.745 2.269 10 0 CEAEHN CC[C@H](N)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000037006736 529442771 /nfs/dbraw/zinc/44/27/71/529442771.db2.gz LYEMPQPBCKQEEW-KCJUWKMLSA-N 0 3 285.185 2.364 10 0 CEAEHN N[C@H]1C[C@@]12CNc1c2cc(Cl)cc1Br ZINC000725247600 539192412 /nfs/dbraw/zinc/19/24/12/539192412.db2.gz RTGMZZRVFJYVHT-WPRPVWTQSA-N 0 3 273.561 2.497 10 0 CEAEHN Cc1nccnc1CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000621726104 349680392 /nfs/dbraw/zinc/68/03/92/349680392.db2.gz JYQVZAZDDNECIZ-NUEKZKHPSA-N 0 3 275.396 2.301 10 0 CEAEHN C[C@H](c1cnn(CC2CCC2)c1)N1CC[C@H](CO)C1 ZINC000725264343 539212875 /nfs/dbraw/zinc/21/28/75/539212875.db2.gz HXRXJKPHYNCFRU-OCCSQVGLSA-N 0 3 263.385 2.058 10 0 CEAEHN Brc1ccc(CN[C@@H]2COC[C@H]2C2CC2)cn1 ZINC000725269667 539215084 /nfs/dbraw/zinc/21/50/84/539215084.db2.gz PEMYBKQZJTYZKH-NWDGAFQWSA-N 0 3 297.196 2.359 10 0 CEAEHN Cc1ccc(CNC(=O)[C@H]2C[C@H](C)CCN2)cc1F ZINC000126114162 187217722 /nfs/dbraw/zinc/21/77/22/187217722.db2.gz QBXDMFQUEBKHIA-QMTHXVAHSA-N 0 3 264.344 2.138 10 0 CEAEHN N[C@@]1(c2nccs2)CCN(Cc2ccccc2)C1 ZINC000041182165 362024505 /nfs/dbraw/zinc/02/45/05/362024505.db2.gz PERQCIVNKOUVBQ-AWEZNQCLSA-N 0 3 259.378 2.203 10 0 CEAEHN O[C@H]1CCN[C@H](c2ccc(Br)cc2)C1 ZINC000041326352 362029276 /nfs/dbraw/zinc/02/92/76/362029276.db2.gz GRVIFCLXQLJTDN-QWRGUYRKSA-N 0 3 256.143 2.235 10 0 CEAEHN C[C@H](NC[C@H](O)Cn1cccn1)c1ccc(Cl)s1 ZINC000042587543 362104584 /nfs/dbraw/zinc/10/45/84/362104584.db2.gz MIFSPVBCBDUFOM-UWVGGRQHSA-N 0 3 285.800 2.310 10 0 CEAEHN NC[C@@H](O)c1cc(OCc2ccccc2)ccc1F ZINC000032241360 343411903 /nfs/dbraw/zinc/41/19/03/343411903.db2.gz FGGDZWZPCNKFGE-OAHLLOKOSA-N 0 3 261.296 2.397 10 0 CEAEHN CCN(CC)C(=O)N1CC[C@@H](NCc2ccccc2)C1 ZINC000039215889 343436127 /nfs/dbraw/zinc/43/61/27/343436127.db2.gz DJXVPUYANOWYFE-OAHLLOKOSA-N 0 3 275.396 2.312 10 0 CEAEHN C[C@@H]1CN([C@@H]2CCC[C@H]2O)CCN1Cc1ccccc1 ZINC000306636532 539335512 /nfs/dbraw/zinc/33/55/12/539335512.db2.gz DWYMDMCIGZFHSF-DJIMGWMZSA-N 0 3 274.408 2.106 10 0 CEAEHN COC[C@H](O)CN1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127078827 187280533 /nfs/dbraw/zinc/28/05/33/187280533.db2.gz BIIOXQDXRYQMTD-CHWSQXEVSA-N 0 3 298.452 2.453 10 0 CEAEHN Cc1ccc([C@@H](C)NCCN2C(=O)CCC2=O)cc1C ZINC000089684880 344127625 /nfs/dbraw/zinc/12/76/25/344127625.db2.gz KURBYBJBCOCATI-CYBMUJFWSA-N 0 3 274.364 2.103 10 0 CEAEHN COc1c(CNC[C@@H]2Cc3ccccc32)c(C)nn1C ZINC000105444450 344256823 /nfs/dbraw/zinc/25/68/23/344256823.db2.gz PPLUMMFIUVDMLA-ZDUSSCGKSA-N 0 3 271.364 2.167 10 0 CEAEHN OCCCN1CCN(c2cccc3sccc32)CC1 ZINC000113506174 344277485 /nfs/dbraw/zinc/27/74/85/344277485.db2.gz MRHADSOJBVSLJI-UHFFFAOYSA-N 0 3 276.405 2.406 10 0 CEAEHN CCC1CCC(N(C)C(=O)C(C)(C)N2CCNCC2)CC1 ZINC000129671397 344346359 /nfs/dbraw/zinc/34/63/59/344346359.db2.gz GCQHYFGRJBLFBW-UHFFFAOYSA-N 0 3 295.471 2.097 10 0 CEAEHN CNCc1ccccc1[C@@H](O)c1ccc(OC)cc1 ZINC000142739843 344404368 /nfs/dbraw/zinc/40/43/68/344404368.db2.gz IZLSFHWOHNIULG-INIZCTEOSA-N 0 3 257.333 2.496 10 0 CEAEHN C[C@@](CC1CC1)(NC(=O)OCc1ccccc1)C(=N)NO ZINC000146303021 344409994 /nfs/dbraw/zinc/40/99/94/344409994.db2.gz UOWFFOSPFHMHKC-HNNXBMFYSA-N 0 3 291.351 2.428 10 0 CEAEHN CCOC(=O)[C@@H](C)C[C@H](N)c1c(OC)cccc1OC ZINC000167821628 344479265 /nfs/dbraw/zinc/47/92/65/344479265.db2.gz DDXVDPMWBLARCZ-QWRGUYRKSA-N 0 3 281.352 2.293 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1 ZINC000170867937 344491639 /nfs/dbraw/zinc/49/16/39/344491639.db2.gz ADDXKHJUQAXUCI-SNVBAGLBSA-N 0 3 291.376 2.179 10 0 CEAEHN CC(C)c1cccc(OCC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170866792 344491832 /nfs/dbraw/zinc/49/18/32/344491832.db2.gz WRKKJQIJJKZREJ-HNNXBMFYSA-N 0 3 290.407 2.351 10 0 CEAEHN N[C@@H](CO)c1cc(Br)c(Cl)s1 ZINC000227937484 344557529 /nfs/dbraw/zinc/55/75/29/344557529.db2.gz KZMHLOHKGSOCOG-BYPYZUCNSA-N 0 3 256.552 2.156 10 0 CEAEHN N=C(N)Nc1cc(Br)c(F)cc1F ZINC000228214676 344559631 /nfs/dbraw/zinc/55/96/31/344559631.db2.gz HESFWDAISUZXDD-UHFFFAOYSA-N 0 3 250.046 2.033 10 0 CEAEHN NC[C@H](O)c1ccc(Br)c(Cl)c1F ZINC000236251574 344594558 /nfs/dbraw/zinc/59/45/58/344594558.db2.gz NRTZFLIDXHRHQS-LURJTMIESA-N 0 3 268.513 2.234 10 0 CEAEHN O[C@@H](CNC[C@H]1CCC2(CCCCC2)O1)C(F)(F)F ZINC000236540756 344596137 /nfs/dbraw/zinc/59/61/37/344596137.db2.gz ZWCJUVDJKXKNSA-MNOVXSKESA-N 0 3 281.318 2.381 10 0 CEAEHN O=C(CN[C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)cc1 ZINC000052013159 362460793 /nfs/dbraw/zinc/46/07/93/362460793.db2.gz RMODFFWCNCHZPQ-CHWSQXEVSA-N 0 3 282.771 2.172 10 0 CEAEHN COC(=O)c1cccc(CN2CCC[C@@H]2CCCO)c1 ZINC000052761864 362474195 /nfs/dbraw/zinc/47/41/95/362474195.db2.gz RRGWONOBWKDLRW-OAHLLOKOSA-N 0 3 277.364 2.210 10 0 CEAEHN CCN(C(=O)CN1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052762413 362474209 /nfs/dbraw/zinc/47/42/09/362474209.db2.gz FJCQAYFNACVJPW-OAHLLOKOSA-N 0 3 290.407 2.276 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H]2CCCc3ccccc32)C1 ZINC000252668354 344641119 /nfs/dbraw/zinc/64/11/19/344641119.db2.gz VLWMNCZLZZQGJK-RDJZCZTQSA-N 0 3 274.408 2.374 10 0 CEAEHN CC[C@@H]1C[C@H]1[C@H](N)c1c(Br)cnn1C ZINC000307138454 344720353 /nfs/dbraw/zinc/72/03/53/344720353.db2.gz ZSZZJSBHMSDJOZ-BHNWBGBOSA-N 0 3 258.163 2.229 10 0 CEAEHN Cc1cccnc1CN(C)C[C@H]1CCc2nccn2C1 ZINC000328623649 344756451 /nfs/dbraw/zinc/75/64/51/344756451.db2.gz CAMCKNROJIJVAB-CQSZACIVSA-N 0 3 270.380 2.281 10 0 CEAEHN CN1C[C@H](O)C[C@H](C(O)(c2ccccc2)c2ccccc2)C1 ZINC000584631782 344970111 /nfs/dbraw/zinc/97/01/11/344970111.db2.gz VYIWRCQCGWIWKO-ZWKOTPCHSA-N 0 3 297.398 2.235 10 0 CEAEHN CC[C@H]1c2ccsc2CCN1C(=O)[C@@H](C)NC ZINC000054075142 362510667 /nfs/dbraw/zinc/51/06/67/362510667.db2.gz FCVIKJJMOSJIAZ-KOLCDFICSA-N 0 3 252.383 2.192 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(CC)C1 ZINC000057870596 362597840 /nfs/dbraw/zinc/59/78/40/362597840.db2.gz MASQHJVNWITPEV-UONOGXRCSA-N 0 3 267.417 2.445 10 0 CEAEHN CN(CCO)CCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000623091668 349936266 /nfs/dbraw/zinc/93/62/66/349936266.db2.gz MTCQGHPNMPYBEJ-UHFFFAOYSA-N 0 3 278.440 2.340 10 0 CEAEHN CN[C@H](Cc1ncnn1C(C)C)c1ccc(C)nc1 ZINC000097277616 185577154 /nfs/dbraw/zinc/57/71/54/185577154.db2.gz BTSYNQUDWGUOCW-CYBMUJFWSA-N 0 3 259.357 2.066 10 0 CEAEHN Cc1ccc(C)c(OC[C@](C)(CO)NC2CC2)c1C ZINC000085286263 179003858 /nfs/dbraw/zinc/00/38/58/179003858.db2.gz UJWRPRNERFABLP-INIZCTEOSA-N 0 3 263.381 2.494 10 0 CEAEHN CCCOC[C@](CO)(NC(C)C)c1ccccc1 ZINC000085286607 179003900 /nfs/dbraw/zinc/00/39/00/179003900.db2.gz KOOXIAOMDSTRPX-HNNXBMFYSA-N 0 3 251.370 2.299 10 0 CEAEHN CCSC[C@@](CO)(NC1CC1)c1ccccc1 ZINC000085298600 179009425 /nfs/dbraw/zinc/00/94/25/179009425.db2.gz KNUWXHJIUUAYGA-CQSZACIVSA-N 0 3 251.395 2.379 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000062983771 362737798 /nfs/dbraw/zinc/73/77/98/362737798.db2.gz BXUTZVBEBOGVQG-CQSZACIVSA-N 0 3 285.391 2.263 10 0 CEAEHN Cc1ccc(F)c(OCc2cccnc2C(=N)N)c1 ZINC000085556341 179093853 /nfs/dbraw/zinc/09/38/53/179093853.db2.gz JQMBIZPNYTULPD-UHFFFAOYSA-N 0 3 259.284 2.392 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@@](C)(O)C2CC2)c1C ZINC000336817437 365861585 /nfs/dbraw/zinc/86/15/85/365861585.db2.gz QIDKLMYFTFEHPF-MEBBXXQBSA-N 0 3 265.401 2.331 10 0 CEAEHN COc1ccc(F)cc1CN[C@@H]1CCCC[C@H]1CO ZINC000336818300 365863244 /nfs/dbraw/zinc/86/32/44/365863244.db2.gz UXQPPOMCALXJGZ-SMDDNHRTSA-N 0 3 267.344 2.475 10 0 CEAEHN CC(C)c1nn(C)cc1CNC[C@H]1CCCC[C@@H]1O ZINC000085973478 179207498 /nfs/dbraw/zinc/20/74/98/179207498.db2.gz PFVRYLMFGRMVCC-OCCSQVGLSA-N 0 3 265.401 2.184 10 0 CEAEHN C[C@@H]1CN(c2ncc(Br)cc2CN)C[C@H]1C ZINC000086012403 179214855 /nfs/dbraw/zinc/21/48/55/179214855.db2.gz SAOQCLKGZJFOCF-RKDXNWHRSA-N 0 3 284.201 2.395 10 0 CEAEHN CCc1ccc([C@@H](NC)[C@H]2CCS(=O)(=O)C2)s1 ZINC000086020349 179217632 /nfs/dbraw/zinc/21/76/32/179217632.db2.gz YZHFNFZCKRBEKH-CABZTGNLSA-N 0 3 273.423 2.006 10 0 CEAEHN Cc1ccccc1NC(=O)CNC[C@@H]1CCCC[C@@H]1O ZINC000085985800 179211819 /nfs/dbraw/zinc/21/18/19/179211819.db2.gz OGLNYZGOYOEVNT-ZFWWWQNUSA-N 0 3 276.380 2.074 10 0 CEAEHN Cc1ccc(NC(=O)CNC[C@H]2CCCC[C@@H]2O)cc1 ZINC000085986641 179212391 /nfs/dbraw/zinc/21/23/91/179212391.db2.gz SDNPEKRRBDMOFV-HIFRSBDPSA-N 0 3 276.380 2.074 10 0 CEAEHN C[C@H]1[C@H](NCc2nc3ccccc3c(=O)[nH]2)CC[C@@H]1C ZINC000086075551 179225749 /nfs/dbraw/zinc/22/57/49/179225749.db2.gz VVBCGMGKFMFOPL-DMDPSCGWSA-N 0 3 271.364 2.447 10 0 CEAEHN c1ccc([C@@H]2CN(CC[C@@H]3CCCO3)CCN2)cc1 ZINC000086145619 179237743 /nfs/dbraw/zinc/23/77/43/179237743.db2.gz QKHPYFAHMXFQSJ-HOTGVXAUSA-N 0 3 260.381 2.202 10 0 CEAEHN CN(CC(C)(C)O)c1cc(Br)ccc1CN ZINC000086274395 179262981 /nfs/dbraw/zinc/26/29/81/179262981.db2.gz NHWLEGHMTCEILW-UHFFFAOYSA-N 0 3 287.201 2.115 10 0 CEAEHN C[C@@H](C(=O)Nc1ncccc1[O-])[C@@H]([NH3+])c1ccccc1 ZINC000128605021 187380144 /nfs/dbraw/zinc/38/01/44/187380144.db2.gz UTRDLOIFSRMIAT-ZWNOBZJWSA-N 0 3 271.320 2.062 10 0 CEAEHN CCOC1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086443114 179293383 /nfs/dbraw/zinc/29/33/83/179293383.db2.gz JNLPQOREJLBVIX-LLVKDONJSA-N 0 3 281.425 2.485 10 0 CEAEHN N[C@@H]1CCCc2sc(N3CCN(CC4CC4)CC3)nc21 ZINC000086443939 179293875 /nfs/dbraw/zinc/29/38/75/179293875.db2.gz PFOKDZUZWUYMLU-GFCCVEGCSA-N 0 3 292.452 2.011 10 0 CEAEHN O=C1CCCc2sc(N3CCCN4CCC[C@@H]4C3)nc21 ZINC000086441780 179294193 /nfs/dbraw/zinc/29/41/93/179294193.db2.gz JUQCURWFNRVSFH-LLVKDONJSA-N 0 3 291.420 2.337 10 0 CEAEHN CN(c1nc2c(s1)CCC[C@@H]2O)[C@H]1CCCN(C)C1 ZINC000086444515 179294766 /nfs/dbraw/zinc/29/47/66/179294766.db2.gz YPPAHIKZSHAKNX-QWRGUYRKSA-N 0 3 281.425 2.043 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)[C@H](CC)CN1 ZINC000086447565 179295354 /nfs/dbraw/zinc/29/53/54/179295354.db2.gz VABLBBDBJCNYGK-CHWSQXEVSA-N 0 3 286.379 2.166 10 0 CEAEHN CC[C@@H]1CN(C(=O)[C@H]2CC=CCC2)[C@@H](CC)CN1 ZINC000086447875 179295478 /nfs/dbraw/zinc/29/54/78/179295478.db2.gz INRDTEBNMUFDCW-MJBXVCDLSA-N 0 3 250.386 2.332 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccn1CC ZINC000086447728 179295967 /nfs/dbraw/zinc/29/59/67/179295967.db2.gz WUXLUARSSATBOD-QWHCGFSZSA-N 0 3 263.385 2.111 10 0 CEAEHN CN[C@@H]1CCCc2sc(C[C@H]3CCCO3)nc21 ZINC000086439078 179292815 /nfs/dbraw/zinc/29/28/15/179292815.db2.gz RJTUFSSWSQBNRF-NXEZZACHSA-N 0 3 252.383 2.461 10 0 CEAEHN N[C@H]1COC[C@@H]1c1nc2ccc(Br)cc2s1 ZINC000086479303 179300340 /nfs/dbraw/zinc/30/03/40/179300340.db2.gz NZARRPHTFJZGSE-YUMQZZPRSA-N 0 3 299.193 2.500 10 0 CEAEHN N[C@@H]1COC[C@@H]1c1nc2ccc(Br)cc2s1 ZINC000086479306 179300782 /nfs/dbraw/zinc/30/07/82/179300782.db2.gz NZARRPHTFJZGSE-JGVFFNPUSA-N 0 3 299.193 2.500 10 0 CEAEHN CC(C)(C)[NH2+]Cc1cc(=O)[n-]c([C@H]2Cc3ccccc32)n1 ZINC000086492501 179302725 /nfs/dbraw/zinc/30/27/25/179302725.db2.gz BGAOLUYGWDTMTP-AWEZNQCLSA-N 0 3 283.375 2.346 10 0 CEAEHN COc1cc(CNCCN(C)C)c(SC)cc1OC ZINC000086498469 179303373 /nfs/dbraw/zinc/30/33/73/179303373.db2.gz GOMWHEOPMJHSTM-UHFFFAOYSA-N 0 3 284.425 2.077 10 0 CEAEHN COC(OC)[C@H](N)Cc1ccc(F)cc1Br ZINC000086451791 179296413 /nfs/dbraw/zinc/29/64/13/179296413.db2.gz ROVOTBOFFILFDJ-SNVBAGLBSA-N 0 3 292.148 2.077 10 0 CEAEHN CC(C)Oc1cccc(C(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000086467424 179298266 /nfs/dbraw/zinc/29/82/66/179298266.db2.gz TWZJVUPBZGDGBF-QWHCGFSZSA-N 0 3 276.380 2.296 10 0 CEAEHN C[C@@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)[C@H](C)CN1 ZINC000086468369 179299690 /nfs/dbraw/zinc/29/96/90/179299690.db2.gz MYMQQYLAMOWXRI-INOYMQOOSA-N 0 3 291.439 2.347 10 0 CEAEHN COc1ccc([C@@H]2[C@@H](CN)OCCN2C2CC2)cc1Cl ZINC000086585000 179310230 /nfs/dbraw/zinc/31/02/30/179310230.db2.gz VYWCGGGKRLSYDZ-HUUCEWRRSA-N 0 3 296.798 2.212 10 0 CEAEHN COC[C@@H](C)N(C)[C@@H](CN)c1ccc(OC)c(Cl)c1 ZINC000086594972 179310657 /nfs/dbraw/zinc/31/06/57/179310657.db2.gz LKZKLDQXUDUOOA-MFKMUULPSA-N 0 3 286.803 2.315 10 0 CEAEHN CCC(CC)(CC)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000086643157 179315617 /nfs/dbraw/zinc/31/56/17/179315617.db2.gz WGDKOFAWQGIEJW-AWEZNQCLSA-N 0 3 278.396 2.347 10 0 CEAEHN C[C@H](CCc1ccco1)N[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086671616 179317936 /nfs/dbraw/zinc/31/79/36/179317936.db2.gz RNALUSOTVSSQRP-XBFCOCLRSA-N 0 3 285.409 2.156 10 0 CEAEHN CC[N@@H+]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000086839554 179351616 /nfs/dbraw/zinc/35/16/16/179351616.db2.gz CJZXPLKAJHZDCK-ZDUSSCGKSA-N 0 3 286.383 2.153 10 0 CEAEHN CC[N@H+]1CCC[C@H](Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000086839554 179351617 /nfs/dbraw/zinc/35/16/17/179351617.db2.gz CJZXPLKAJHZDCK-ZDUSSCGKSA-N 0 3 286.383 2.153 10 0 CEAEHN CC[N@@H+]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000086839554 179351619 /nfs/dbraw/zinc/35/16/19/179351619.db2.gz CJZXPLKAJHZDCK-ZDUSSCGKSA-N 0 3 286.383 2.153 10 0 CEAEHN CC[N@H+]1CCC[C@H](Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000086839554 179351620 /nfs/dbraw/zinc/35/16/20/179351620.db2.gz CJZXPLKAJHZDCK-ZDUSSCGKSA-N 0 3 286.383 2.153 10 0 CEAEHN CC(C)N1CCC[C@H]([NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000086868582 179360147 /nfs/dbraw/zinc/36/01/47/179360147.db2.gz RQHSTKNHSMITQO-AWEZNQCLSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)[N@@H+]1CCC[C@H](N2CCC(C(=O)[O-])CC2)CC1 ZINC000086868582 179360148 /nfs/dbraw/zinc/36/01/48/179360148.db2.gz RQHSTKNHSMITQO-AWEZNQCLSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)[N@H+]1CCC[C@H](N2CCC(C(=O)[O-])CC2)CC1 ZINC000086868582 179360151 /nfs/dbraw/zinc/36/01/51/179360151.db2.gz RQHSTKNHSMITQO-AWEZNQCLSA-N 0 3 268.401 2.046 10 0 CEAEHN CCCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086869164 179362271 /nfs/dbraw/zinc/36/22/71/179362271.db2.gz ALYZLIAABOTFHN-SOUVJXGZSA-N 0 3 282.428 2.484 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868604 179362924 /nfs/dbraw/zinc/36/29/24/179362924.db2.gz AJBCWHYSSWPDIK-ZIAGYGMSSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000086868604 179362925 /nfs/dbraw/zinc/36/29/25/179362925.db2.gz AJBCWHYSSWPDIK-ZIAGYGMSSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN[C@@]1(C(=O)OCC)CCCN(C(C)C)CC1 ZINC000086849841 179358149 /nfs/dbraw/zinc/35/81/49/179358149.db2.gz OPIVPUICOQQWTM-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CCNCc1sc([C@@H]2CSCCO2)nc1C ZINC000086990265 179375158 /nfs/dbraw/zinc/37/51/58/179375158.db2.gz KZLITRRHTNWEBK-VIFPVBQESA-N 0 3 258.412 2.366 10 0 CEAEHN Cc1cccc(NC(=O)CNCC2(O)CCCCC2)c1 ZINC000087029274 179382235 /nfs/dbraw/zinc/38/22/35/179382235.db2.gz JSMQVLRKVHCCSO-UHFFFAOYSA-N 0 3 276.380 2.218 10 0 CEAEHN CCC1CCC(O)(CN[C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000087066081 179390208 /nfs/dbraw/zinc/39/02/08/179390208.db2.gz XGCUWTFAAWTFPR-FUJMWEONSA-N 0 3 284.444 2.211 10 0 CEAEHN CCC1CCC(O)(CN2CCC[C@@H](NC3CC3)C2=O)CC1 ZINC000087071340 179391552 /nfs/dbraw/zinc/39/15/52/179391552.db2.gz PBDWCGDYHYDRFH-GNHJJJEISA-N 0 3 294.439 2.061 10 0 CEAEHN CN[C@@H](c1ccc(Br)o1)[C@@H]1CCCO1 ZINC000087284931 179407701 /nfs/dbraw/zinc/40/77/01/179407701.db2.gz HOAJEIMSRFDOBQ-OIBJUYFYSA-N 0 3 260.131 2.482 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@H](C)c2c[nH]nc2C)C12CCOCC2 ZINC000248633329 539638379 /nfs/dbraw/zinc/63/83/79/539638379.db2.gz IXOWLVRIFRPZKS-KCPJHIHWSA-N 0 3 293.411 2.343 10 0 CEAEHN FC(F)(F)Cc1noc([C@H]2CNCc3ccccc32)n1 ZINC000087611718 179454363 /nfs/dbraw/zinc/45/43/63/179454363.db2.gz IOEZQODUFWZKGZ-JTQLQIEISA-N 0 3 283.253 2.410 10 0 CEAEHN CC(C)(C)OC(=O)Nc1cccc([C@@H]2CNCCN2)c1 ZINC000616653035 348549179 /nfs/dbraw/zinc/54/91/79/348549179.db2.gz GLQLUBJDCWLAFC-ZDUSSCGKSA-N 0 3 277.368 2.268 10 0 CEAEHN CC1(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](N)C2)CC1 ZINC000616569816 348523617 /nfs/dbraw/zinc/52/36/17/348523617.db2.gz KSUKZZVUXBNAEG-KBPBESRZSA-N 0 3 276.355 2.269 10 0 CEAEHN N[C@@H]1CN(C(=O)CC2CC2)CC[C@@H]1c1cccc(F)c1 ZINC000616570037 348523637 /nfs/dbraw/zinc/52/36/37/348523637.db2.gz LLKGXOLQWNTFPA-HUUCEWRRSA-N 0 3 276.355 2.269 10 0 CEAEHN OCc1ccccc1[C@@H]1CNCCN1Cc1ccccc1 ZINC000616605207 348532475 /nfs/dbraw/zinc/53/24/75/348532475.db2.gz WRABLGWPLAQLBO-SFHVURJKSA-N 0 3 282.387 2.325 10 0 CEAEHN CN1CCC(O)(CCc2ccc3c(c2)CCO3)CC1 ZINC000088103258 179549013 /nfs/dbraw/zinc/54/90/13/179549013.db2.gz QOPYCUHAAZAKTJ-UHFFFAOYSA-N 0 3 261.365 2.011 10 0 CEAEHN c1ccc(CN2CCOC[C@H](c3ncccn3)C2)cc1 ZINC000616663457 348553639 /nfs/dbraw/zinc/55/36/39/348553639.db2.gz PRQAKBOHQLRQGJ-OAHLLOKOSA-N 0 3 269.348 2.093 10 0 CEAEHN c1c[nH]c([C@H]2CCN(Cc3ccccc3)CCO2)n1 ZINC000616662905 348553722 /nfs/dbraw/zinc/55/37/22/348553722.db2.gz LLRIWCVRKNWTIN-CQSZACIVSA-N 0 3 257.337 2.373 10 0 CEAEHN CC(C)N1CCO[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616686969 348560698 /nfs/dbraw/zinc/56/06/98/348560698.db2.gz NJECUKVFOGBVPX-LBPRGKRZSA-N 0 3 272.389 2.010 10 0 CEAEHN C[C@@H](N)[C@H](c1ccccn1)N(C)CCC(F)(F)F ZINC000088416678 179596435 /nfs/dbraw/zinc/59/64/35/179596435.db2.gz KEPPOJVDFXYMKN-MWLCHTKSSA-N 0 3 261.291 2.354 10 0 CEAEHN CCN[C@H](Cc1ncnn1CC)c1cc(F)ccc1F ZINC000088612278 179639247 /nfs/dbraw/zinc/63/92/47/179639247.db2.gz FYOVPAWCEKSSPY-CYBMUJFWSA-N 0 3 280.322 2.470 10 0 CEAEHN CCc1nc(CC)n(-c2cc(CN)nc3ccccc32)n1 ZINC000088743841 179662843 /nfs/dbraw/zinc/66/28/43/179662843.db2.gz CTZJVBVGFIMAMI-UHFFFAOYSA-N 0 3 281.363 2.399 10 0 CEAEHN CCCNCCS(=O)(=O)N1CCC(C(C)(C)C)CC1 ZINC000089021524 179691732 /nfs/dbraw/zinc/69/17/32/179691732.db2.gz KYLHIOWFVPOTKL-UHFFFAOYSA-N 0 3 290.473 2.074 10 0 CEAEHN CN1C[C@H](CNCc2c(F)ccc(F)c2Cl)CC1=O ZINC000623571531 350054043 /nfs/dbraw/zinc/05/40/43/350054043.db2.gz ZSBSGPORMFDRAI-QMMMGPOBSA-N 0 3 288.725 2.186 10 0 CEAEHN CC(C)(C)c1ccc(CN[C@H]2CCOC[C@@H]2O)s1 ZINC000623766920 350107454 /nfs/dbraw/zinc/10/74/54/350107454.db2.gz NQXMYCFAKVNMPM-RYUDHWBXSA-N 0 3 269.410 2.285 10 0 CEAEHN Cc1ccc2c(c1)nc([C@]1(C)COC[C@H]1N)n2C1CC1 ZINC000090571706 180007646 /nfs/dbraw/zinc/00/76/46/180007646.db2.gz XAYTYTVQBKOAJM-GDBMZVCRSA-N 0 3 271.364 2.295 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090589973 180010447 /nfs/dbraw/zinc/01/04/47/180010447.db2.gz RUXXEIKUWRVWDC-HOCLYGCPSA-N 0 3 292.379 2.086 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)C1CCCC1 ZINC000090699765 180027784 /nfs/dbraw/zinc/02/77/84/180027784.db2.gz QVSFVRFXVATAIX-ZDUSSCGKSA-N 0 3 270.442 2.072 10 0 CEAEHN COCCCSCCOc1ccccc1CN ZINC000104444281 186004413 /nfs/dbraw/zinc/00/44/13/186004413.db2.gz PXPZKRJKIDFJCK-UHFFFAOYSA-N 0 3 255.383 2.294 10 0 CEAEHN CCOc1cc(N[C@H](C)CN2CCCC2)nc(C)n1 ZINC000090792113 180042608 /nfs/dbraw/zinc/04/26/08/180042608.db2.gz MTXRUDKSUPCOFP-LLVKDONJSA-N 0 3 264.373 2.080 10 0 CEAEHN CC(=O)C1CCN(C[C@H]2Cc3ccccc3O2)CC1 ZINC000090874991 180051201 /nfs/dbraw/zinc/05/12/01/180051201.db2.gz NUMDDDFQYAJWOR-OAHLLOKOSA-N 0 3 259.349 2.291 10 0 CEAEHN CC(C)NCc1ccnn1C[C@@H]1Cc2ccccc2O1 ZINC000090877782 180051787 /nfs/dbraw/zinc/05/17/87/180051787.db2.gz GIVBVFOMEUSTKW-HNNXBMFYSA-N 0 3 271.364 2.385 10 0 CEAEHN Fc1ccc2c(c1)C[C@H](CNCc1ccccn1)O2 ZINC000090892000 180054062 /nfs/dbraw/zinc/05/40/62/180054062.db2.gz ZADUYRAWUJZMBZ-CQSZACIVSA-N 0 3 258.296 2.314 10 0 CEAEHN CC(C)Oc1ccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905941 180061074 /nfs/dbraw/zinc/06/10/74/180061074.db2.gz SYVMQEGLQWESKM-BBWFWOEESA-N 0 3 290.407 2.337 10 0 CEAEHN NCc1c2ccccc2oc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907934 180061588 /nfs/dbraw/zinc/06/15/88/180061588.db2.gz DIRJBWBOQQUQPQ-TXEJJXNPSA-N 0 3 272.348 2.255 10 0 CEAEHN Nc1ccsc1CNCc1ccc2c(c1)OCCO2 ZINC000090959069 180075504 /nfs/dbraw/zinc/07/55/04/180075504.db2.gz IDCQJAAVOCSSKT-UHFFFAOYSA-N 0 3 276.361 2.391 10 0 CEAEHN Cn1ncc2c1CCC[C@@H]2NCc1sccc1N ZINC000090959864 180075589 /nfs/dbraw/zinc/07/55/89/180075589.db2.gz NDZGHYRBNLOTDN-NSHDSACASA-N 0 3 262.382 2.231 10 0 CEAEHN COCCNCc1ccn(CCC(F)(F)F)c1 ZINC000091004559 180084052 /nfs/dbraw/zinc/08/40/52/180084052.db2.gz WXOQOPFAXXVHSM-UHFFFAOYSA-N 0 3 250.264 2.177 10 0 CEAEHN C[C@H](NC(=O)C[C@H]1CSCCN1)c1cccs1 ZINC000091134407 180103103 /nfs/dbraw/zinc/10/31/03/180103103.db2.gz HEEKLVLWTYQTEV-UWVGGRQHSA-N 0 3 270.423 2.020 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)C[C@H]2CSCCN2)s1 ZINC000091137830 180105996 /nfs/dbraw/zinc/10/59/96/180105996.db2.gz JHUBHAPYEJKZMT-ONGXEEELSA-N 0 3 299.465 2.032 10 0 CEAEHN CCc1c(CNCCOC)cnn1-c1ccccc1F ZINC000091335833 180136647 /nfs/dbraw/zinc/13/66/47/180136647.db2.gz GHLPQDKCHGKLJI-UHFFFAOYSA-N 0 3 277.343 2.310 10 0 CEAEHN Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091360558 180141039 /nfs/dbraw/zinc/14/10/39/180141039.db2.gz LRNLHFDQRQYLGX-IHRRRGAJSA-N 0 3 290.411 2.286 10 0 CEAEHN Cc1nn(C)c(S[C@@H](C)CCO)c1CNCC(C)C ZINC000091268213 180116974 /nfs/dbraw/zinc/11/69/74/180116974.db2.gz KIGJRTOLHUPNKV-NSHDSACASA-N 0 3 285.457 2.337 10 0 CEAEHN NC[C@H](c1cncn1C1CC1)N1CCc2sccc2C1 ZINC000091276166 180118931 /nfs/dbraw/zinc/11/89/31/180118931.db2.gz FZCXOKYJIVJUPS-CYBMUJFWSA-N 0 3 288.420 2.338 10 0 CEAEHN CCCn1cncc1-c1ncc2c(n1)CCC[C@@H]2N ZINC000091278088 180121090 /nfs/dbraw/zinc/12/10/90/180121090.db2.gz BSBYOVRYJWNPDA-NSHDSACASA-N 0 3 257.341 2.086 10 0 CEAEHN CCCOCCOc1cncc(CNC(C)(C)C)n1 ZINC000091435333 180154069 /nfs/dbraw/zinc/15/40/69/180154069.db2.gz XHPLICCOBJHEMT-UHFFFAOYSA-N 0 3 267.373 2.170 10 0 CEAEHN CC(C)OCCOc1cncc(CNC(C)(C)C)n1 ZINC000091433616 180154107 /nfs/dbraw/zinc/15/41/07/180154107.db2.gz QLERYTBCKQKXCX-UHFFFAOYSA-N 0 3 267.373 2.169 10 0 CEAEHN CCCCOCCOc1cncc(CNCC(C)C)n1 ZINC000091433662 180154694 /nfs/dbraw/zinc/15/46/94/180154694.db2.gz XGFMWTZKEPURKY-UHFFFAOYSA-N 0 3 281.400 2.418 10 0 CEAEHN CC1(C)CCN(C[C@H](O)c2ccc3c(c2)OCO3)C1 ZINC000091439744 180155859 /nfs/dbraw/zinc/15/58/59/180155859.db2.gz XHRZOVNCAZBHLQ-LBPRGKRZSA-N 0 3 263.337 2.181 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccncc2Cl)[C@@H](CC)CN1 ZINC000091457085 180160146 /nfs/dbraw/zinc/16/01/46/180160146.db2.gz MYXOXOZFIZLFCX-MNOVXSKESA-N 0 3 281.787 2.338 10 0 CEAEHN CCNc1nc(CCN(CC)CC)nc(C)c1F ZINC000091502051 180175388 /nfs/dbraw/zinc/17/53/88/180175388.db2.gz KONCBHDKKCACEY-UHFFFAOYSA-N 0 3 254.353 2.240 10 0 CEAEHN Cc1ccc(C(F)(F)F)cc1NC[C@H](O)CN(C)C ZINC000091479608 180166547 /nfs/dbraw/zinc/16/65/47/180166547.db2.gz IUKHIHSALJWLLE-NSHDSACASA-N 0 3 276.302 2.348 10 0 CEAEHN CSC1(C(N)=S)CCN(CCc2ccccn2)CC1 ZINC000091489057 180168572 /nfs/dbraw/zinc/16/85/72/180168572.db2.gz MANDWMXFYJVEFO-UHFFFAOYSA-N 0 3 295.477 2.108 10 0 CEAEHN CN(CC1CC(O)C1)C[C@@H]1OCCc2ccccc21 ZINC000091489894 180169224 /nfs/dbraw/zinc/16/92/24/180169224.db2.gz BLQIUWHOFVDBGC-PXCJXSSVSA-N 0 3 261.365 2.003 10 0 CEAEHN CN(C)[C@@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000091392145 180144837 /nfs/dbraw/zinc/14/48/37/180144837.db2.gz NCIDRUGBZMZDJL-CQSZACIVSA-N 0 3 287.407 2.211 10 0 CEAEHN CCNCc1cncc(N2Cc3ccccc3C2)n1 ZINC000091418187 180150057 /nfs/dbraw/zinc/15/00/57/180150057.db2.gz GPVRSIKZTSHGDS-UHFFFAOYSA-N 0 3 254.337 2.106 10 0 CEAEHN CC(C)Cc1ccc([C@H](O)CNC2CC(O)C2)cc1 ZINC000091423886 180151334 /nfs/dbraw/zinc/15/13/34/180151334.db2.gz XNJDITZNDFSONB-UYSNPLJNSA-N 0 3 263.381 2.031 10 0 CEAEHN CNCc1cncc(N2CCC[C@H](C(C)C)CC2)n1 ZINC000091421949 180151480 /nfs/dbraw/zinc/15/14/80/180151480.db2.gz MYJFJSMPVZKXRS-ZDUSSCGKSA-N 0 3 262.401 2.459 10 0 CEAEHN CCCN[C@H](c1nccn1CC)C(C)(C)N1CCOCC1 ZINC000091567185 180194629 /nfs/dbraw/zinc/19/46/29/180194629.db2.gz AKCRKBOMAGUWCJ-CQSZACIVSA-N 0 3 294.443 2.055 10 0 CEAEHN CCCn1nccc1[C@H](NC)[C@@](C)(CC)N(C)C ZINC000091570496 180195804 /nfs/dbraw/zinc/19/58/04/180195804.db2.gz QXAJHAKRUCKSKO-UONOGXRCSA-N 0 3 252.406 2.284 10 0 CEAEHN CC(C)c1nn(C)c(N2CCN(C(C)(C)C)CC2)c1N ZINC000091578898 180198209 /nfs/dbraw/zinc/19/82/09/180198209.db2.gz SOPBERSKOCVVHR-UHFFFAOYSA-N 0 3 279.432 2.046 10 0 CEAEHN CC(C)c1nn(C)c(N[C@H](C)CN2CCCC2)c1N ZINC000091580869 180199227 /nfs/dbraw/zinc/19/92/27/180199227.db2.gz XVWJFMPMTKRXRN-LLVKDONJSA-N 0 3 265.405 2.022 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccc(F)cc1F)N1CCOCC1 ZINC000091611629 180206592 /nfs/dbraw/zinc/20/65/92/180206592.db2.gz HDSHHBWUAWNVOQ-CABCVRRESA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccc(OC)cc1)N1CCOCC1 ZINC000091611572 180206829 /nfs/dbraw/zinc/20/68/29/180206829.db2.gz ONNJOPJSLNTXJC-JKSUJKDBSA-N 0 3 278.396 2.196 10 0 CEAEHN COC(=O)[C@]1(Nc2cc(C)cc(F)c2)CCN(C2CC2)C1 ZINC000091514781 180176881 /nfs/dbraw/zinc/17/68/81/180176881.db2.gz DHLPFRSQISXFHW-INIZCTEOSA-N 0 3 292.354 2.326 10 0 CEAEHN CCCN[C@@H]1CCN(c2cc(C)cc(F)c2)C1=O ZINC000091514603 180176955 /nfs/dbraw/zinc/17/69/55/180176955.db2.gz BVYAQKOEQYENPF-CYBMUJFWSA-N 0 3 250.317 2.239 10 0 CEAEHN CCCCCC[C@H](C)N[C@H]1CC(=O)N(C2CC2)C1=O ZINC000105039918 186038825 /nfs/dbraw/zinc/03/88/25/186038825.db2.gz SYRIXMSPUNUVGN-AAEUAGOBSA-N 0 3 266.385 2.225 10 0 CEAEHN CN[C@@H](c1cncc(F)c1)C1(N(C)C)CCCC1 ZINC000091637799 180212334 /nfs/dbraw/zinc/21/23/34/180212334.db2.gz ISCZSEGBMAANDO-ZDUSSCGKSA-N 0 3 251.349 2.356 10 0 CEAEHN CN[C@@H](c1cnccn1)C1(N(C)C)CCC(C)CC1 ZINC000091649088 180216575 /nfs/dbraw/zinc/21/65/75/180216575.db2.gz AKAZUWIJKOTUAF-BLZCZZARSA-N 0 3 262.401 2.248 10 0 CEAEHN CN(C)C1(C(=O)Cc2ccnc(N)c2)CCCCCC1 ZINC000091653553 180216939 /nfs/dbraw/zinc/21/69/39/180216939.db2.gz OONOXVMVGXVFLE-UHFFFAOYSA-N 0 3 275.396 2.430 10 0 CEAEHN Cc1cccc2c1OCCC[C@@H]2NC[C@H]1CN(C)CCO1 ZINC000091667512 180223214 /nfs/dbraw/zinc/22/32/14/180223214.db2.gz WUCUXCJSTIZJJT-HOCLYGCPSA-N 0 3 290.407 2.129 10 0 CEAEHN Cc1cc(C)cc([C@H](O)[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091715646 180232279 /nfs/dbraw/zinc/23/22/79/180232279.db2.gz YKGFXCIMAVKAMY-PMPSAXMXSA-N 0 3 261.365 2.200 10 0 CEAEHN CCN[C@H](c1ccc(CC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718747 180233304 /nfs/dbraw/zinc/23/33/04/180233304.db2.gz KMNGULFQECHFDE-JKSUJKDBSA-N 0 3 262.397 2.230 10 0 CEAEHN CCN[C@@H](c1ccc(F)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718290 180233719 /nfs/dbraw/zinc/23/37/19/180233719.db2.gz SQUCSIIAUMCTJW-GJZGRUSLSA-N 0 3 266.360 2.115 10 0 CEAEHN CN[C@H](c1ccccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720954 180236382 /nfs/dbraw/zinc/23/63/82/180236382.db2.gz HOGBXXZTEGGSEY-BYCMXARLSA-N 0 3 280.799 2.464 10 0 CEAEHN CN[C@@H](C)c1cccn1CC(=O)Nc1ccccc1OC ZINC000091800543 180259360 /nfs/dbraw/zinc/25/93/60/180259360.db2.gz XXCSYQABNKBAJO-LBPRGKRZSA-N 0 3 287.363 2.416 10 0 CEAEHN CCC(C)(C)NC(=O)Cn1cccc1[C@@H](C)NC ZINC000091801012 180259369 /nfs/dbraw/zinc/25/93/69/180259369.db2.gz GCZOBFIJHWAXIB-LLVKDONJSA-N 0 3 251.374 2.073 10 0 CEAEHN CN1CCO[C@@H](c2ncc(CNC(C)(C)C)s2)C1 ZINC000091723173 180242066 /nfs/dbraw/zinc/24/20/66/180242066.db2.gz URRCCMPMZCOJNO-LLVKDONJSA-N 0 3 269.414 2.034 10 0 CEAEHN CCN(CC)c1ncc(CNCCc2nc(C)no2)s1 ZINC000105469730 186059007 /nfs/dbraw/zinc/05/90/07/186059007.db2.gz GSCXDGWUQZCQET-UHFFFAOYSA-N 0 3 295.412 2.013 10 0 CEAEHN C[NH2+]C1CCC(N(C)C(=O)c2ccc(C)cc2[O-])CC1 ZINC000091854436 180274848 /nfs/dbraw/zinc/27/48/48/180274848.db2.gz NCIPKUVDXQKVON-UHFFFAOYSA-N 0 3 276.380 2.303 10 0 CEAEHN CNCc1ncoc1-c1ccc(OC)c(OC)c1OC ZINC000091957649 180292658 /nfs/dbraw/zinc/29/26/58/180292658.db2.gz KMGYOWODHIZFRC-UHFFFAOYSA-N 0 3 278.308 2.087 10 0 CEAEHN CCN1CCO[C@@H](CN(Cc2ccccc2N)C(C)C)C1 ZINC000092058409 180314930 /nfs/dbraw/zinc/31/49/30/180314930.db2.gz WCLGKEZVSPHZRG-MRXNPFEDSA-N 0 3 291.439 2.200 10 0 CEAEHN Cc1ccc(OCc2ncccn2)c(CNC(C)C)n1 ZINC000091995645 180302258 /nfs/dbraw/zinc/30/22/58/180302258.db2.gz UUHZADBDYJXOEE-UHFFFAOYSA-N 0 3 272.352 2.257 10 0 CEAEHN CCNCc1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092113382 180327326 /nfs/dbraw/zinc/32/73/26/180327326.db2.gz BWSJOBPWBSBXPO-BETUJISGSA-N 0 3 296.436 2.073 10 0 CEAEHN c1ccc(CCN2CCCN(c3cccnn3)CC2)cc1 ZINC000105798953 186071251 /nfs/dbraw/zinc/07/12/51/186071251.db2.gz DSVZETCGIHEQOZ-UHFFFAOYSA-N 0 3 282.391 2.231 10 0 CEAEHN CC(C)CNCc1ccc(N2C[C@@H](C)[C@H](C)C2)nn1 ZINC000092088936 180321414 /nfs/dbraw/zinc/32/14/14/180321414.db2.gz ROIKLEWSAWZXHX-CHWSQXEVSA-N 0 3 262.401 2.314 10 0 CEAEHN CN[C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)c(C)c1 ZINC000092094255 180323241 /nfs/dbraw/zinc/32/32/41/180323241.db2.gz CLDOUHWVWXSBEG-VNHYZAJKSA-N 0 3 288.391 2.205 10 0 CEAEHN CNCc1cnn(C[C@H]2COc3ccccc32)c1C ZINC000092306675 180360372 /nfs/dbraw/zinc/36/03/72/180360372.db2.gz LGQSQGYYLRRANF-ZDUSSCGKSA-N 0 3 257.337 2.087 10 0 CEAEHN CN[C@H](CN1C(=O)C[C@@H](C)C1=O)c1ccc(C(C)C)cc1 ZINC000105832495 186076042 /nfs/dbraw/zinc/07/60/42/186076042.db2.gz IMQLLOJZMDSGGS-IUODEOHRSA-N 0 3 288.391 2.466 10 0 CEAEHN CCOCCN1CCC[C@@H](n2ccnc2CC)C1 ZINC000105922665 186090643 /nfs/dbraw/zinc/09/06/43/186090643.db2.gz BNQLFZBWGQLXET-CYBMUJFWSA-N 0 3 251.374 2.119 10 0 CEAEHN CCOC(CNCCOc1ccccc1)OCC ZINC000105921476 186091514 /nfs/dbraw/zinc/09/15/14/186091514.db2.gz UGUCFJVZPNTBJV-UHFFFAOYSA-N 0 3 253.342 2.054 10 0 CEAEHN Cc1noc(C)c1[C@H](C)N[C@@H]1CCN(C(C)C)C1 ZINC000092326442 180363122 /nfs/dbraw/zinc/36/31/22/180363122.db2.gz RHLZLNMNRAKOGX-GXFFZTMASA-N 0 3 251.374 2.425 10 0 CEAEHN CCNc1cccc(CN2CCN([C@H](C)CC)CC2)n1 ZINC000092370238 180369651 /nfs/dbraw/zinc/36/96/51/180369651.db2.gz PWCDJVIGWDJWCP-CQSZACIVSA-N 0 3 276.428 2.430 10 0 CEAEHN CNc1cccc(CN(CCO)C2CCCCC2)n1 ZINC000092369305 180370001 /nfs/dbraw/zinc/37/00/01/180370001.db2.gz JJASKFCZKWSFFY-UHFFFAOYSA-N 0 3 263.385 2.250 10 0 CEAEHN CCC[S@@](=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1NC ZINC000092388861 180374819 /nfs/dbraw/zinc/37/48/19/180374819.db2.gz JBZQSHFCMCMMCX-VCBZYWHSSA-N 0 3 281.421 2.429 10 0 CEAEHN CCOC(=O)CCCNC1=N[C@@H](C(C)C)CS1 ZINC000092402768 180378056 /nfs/dbraw/zinc/37/80/56/180378056.db2.gz DFRRQEWKRCFOLZ-SNVBAGLBSA-N 0 3 258.387 2.047 10 0 CEAEHN CC[C@@H]1CN(Cc2cc(Cl)ccn2)CCN1C ZINC000092416772 180380715 /nfs/dbraw/zinc/38/07/15/180380715.db2.gz QQWQNWXAUXHXHY-CYBMUJFWSA-N 0 3 253.777 2.261 10 0 CEAEHN CC[C@H](C)N[C@]1(C(N)=O)CCCc2ccc(OC)cc21 ZINC000092384980 180373657 /nfs/dbraw/zinc/37/36/57/180373657.db2.gz SGECSRPUEOOLJS-MEDUHNTESA-N 0 3 276.380 2.100 10 0 CEAEHN CCN[C@H]1c2cc(OC)ccc2CC[C@@H]1n1cncn1 ZINC000092386013 180374059 /nfs/dbraw/zinc/37/40/59/180374059.db2.gz HBDKNCLRJNAEAU-GJZGRUSLSA-N 0 3 272.352 2.125 10 0 CEAEHN COCCNCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000092495317 180396645 /nfs/dbraw/zinc/39/66/45/180396645.db2.gz HUVGSXFBVBLHLI-CYBMUJFWSA-N 0 3 292.423 2.397 10 0 CEAEHN CC(C)CN(CC(N)=O)C[C@@H]1Cc2ccccc2S1 ZINC000092662229 180426101 /nfs/dbraw/zinc/42/61/01/180426101.db2.gz FRICPKUUZUKYSE-ZDUSSCGKSA-N 0 3 278.421 2.147 10 0 CEAEHN CCCN[C@@H](C)c1nc(CCN(CC)CC)no1 ZINC000109496113 186256874 /nfs/dbraw/zinc/25/68/74/186256874.db2.gz JTGJTWHBOLHNRQ-NSHDSACASA-N 0 3 254.378 2.015 10 0 CEAEHN COC[C@H](N)Cc1nc(-c2ccc(F)cc2Cl)no1 ZINC000109514450 186257949 /nfs/dbraw/zinc/25/79/49/186257949.db2.gz CWSXBRBWRWJRHJ-MRVPVSSYSA-N 0 3 285.706 2.045 10 0 CEAEHN Clc1cc(CN[C@H]2CCCOC2)cc2c1OCO2 ZINC000109544516 186262003 /nfs/dbraw/zinc/26/20/03/186262003.db2.gz UYPGKXHKSQPAPM-JTQLQIEISA-N 0 3 269.728 2.337 10 0 CEAEHN NCc1cc(-n2nnc3ccccc32)c2ccccc2n1 ZINC000109589749 186264763 /nfs/dbraw/zinc/26/47/63/186264763.db2.gz ZPVSGLLRVFDTPW-UHFFFAOYSA-N 0 3 275.315 2.427 10 0 CEAEHN NCc1cc(F)ccc1CN1C(=O)c2ccccc2C1=O ZINC000109377315 186250941 /nfs/dbraw/zinc/25/09/41/186250941.db2.gz SKIKVTYZVYQSLT-UHFFFAOYSA-N 0 3 284.290 2.081 10 0 CEAEHN CC(C)CN1CCN(Cc2c(N)cccc2F)CC1 ZINC000109427836 186251746 /nfs/dbraw/zinc/25/17/46/186251746.db2.gz AQGXBAFWLPOTKH-UHFFFAOYSA-N 0 3 265.376 2.182 10 0 CEAEHN CCC[C@@H](C)CN1CCN([C@H](CCC)C(N)=S)CC1 ZINC000109470180 186255340 /nfs/dbraw/zinc/25/53/40/186255340.db2.gz OGVBGBDRHLMJMA-ZIAGYGMSSA-N 0 3 285.501 2.495 10 0 CEAEHN CCC(=O)[C@@H](C)c1nc(CCN(CC)CC)no1 ZINC000110468695 186298145 /nfs/dbraw/zinc/29/81/45/186298145.db2.gz JHBVTMXYPBNCDV-SNVBAGLBSA-N 0 3 253.346 2.037 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@H]1CCCC[C@@H]1O ZINC000110630109 186307164 /nfs/dbraw/zinc/30/71/64/186307164.db2.gz OZTGHTJSKGNJFQ-JQWIXIFHSA-N 0 3 279.315 2.242 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2Cc1cc(C)no1 ZINC000110629994 186308105 /nfs/dbraw/zinc/30/81/05/186308105.db2.gz KTMBWQZFAHMQPT-UHFFFAOYSA-N 0 3 276.271 2.111 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1O[C@H]1CCS(=O)(=O)C1 ZINC000110960687 186336474 /nfs/dbraw/zinc/33/64/74/186336474.db2.gz RCQVJSKREYXBJC-STQMWFEESA-N 0 3 297.420 2.231 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1O[C@H](C)C(=O)NC1CC1 ZINC000110959586 186336872 /nfs/dbraw/zinc/33/68/72/186336872.db2.gz QEBRMDRPAMAKPK-NWDGAFQWSA-N 0 3 276.380 2.321 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1O[C@@H]1CCS(=O)(=O)C1 ZINC000110960681 186336924 /nfs/dbraw/zinc/33/69/24/186336924.db2.gz RCQVJSKREYXBJC-QWHCGFSZSA-N 0 3 297.420 2.231 10 0 CEAEHN Cc1ccc([C@@H](CN)N2CCOC(C)(C)C2)cc1F ZINC000110977161 186338763 /nfs/dbraw/zinc/33/87/63/186338763.db2.gz GMNFDPSFKMMZTC-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN CC[C@@H](N)[C@H](c1sccc1C)N1CCNC(=O)[C@@H]1CC ZINC000110677575 186312372 /nfs/dbraw/zinc/31/23/72/186312372.db2.gz SZDRPNOHKWOGPY-FRRDWIJNSA-N 0 3 295.452 2.045 10 0 CEAEHN CCN1CCN([C@@H](CC(N)=S)c2ccccc2)C[C@@H]1C ZINC000110719825 186315848 /nfs/dbraw/zinc/31/58/48/186315848.db2.gz PEXFLXPNJUMWHI-ZFWWWQNUSA-N 0 3 291.464 2.430 10 0 CEAEHN CCOc1ccccc1[C@H](N)CN(C)C[C@@H]1CCCOC1 ZINC000111160761 186362876 /nfs/dbraw/zinc/36/28/76/186362876.db2.gz IKVDZXVJEVKEQV-GOEBONIOSA-N 0 3 292.423 2.444 10 0 CEAEHN CCOCCN(CC)C[C@@H](N)c1ccc(OC)c(OC)c1 ZINC000111119102 186355327 /nfs/dbraw/zinc/35/53/27/186355327.db2.gz ZXPNHQZLCRRDRO-CQSZACIVSA-N 0 3 296.411 2.062 10 0 CEAEHN CCOCCN(CC)c1ncc(CNC)cc1Cl ZINC000111123507 186355448 /nfs/dbraw/zinc/35/54/48/186355448.db2.gz SDOZCGIIEFQYKY-UHFFFAOYSA-N 0 3 271.792 2.317 10 0 CEAEHN C[C@H](C(=O)c1ccc(F)cc1)N(C)CCCN(C)C ZINC000111140025 186357681 /nfs/dbraw/zinc/35/76/81/186357681.db2.gz PCCDWNXZZJOUSY-GFCCVEGCSA-N 0 3 266.360 2.280 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N(C)CC1CCOCC1 ZINC000111162280 186363452 /nfs/dbraw/zinc/36/34/52/186363452.db2.gz VRNBCQHJVRRPDP-WBVHZDCISA-N 0 3 290.407 2.067 10 0 CEAEHN CCCNc1cc(C(=O)N(C)CCN(C)C)cc(Cl)n1 ZINC000111151523 186359912 /nfs/dbraw/zinc/35/99/12/186359912.db2.gz IFNXEPCWSQNGSM-UHFFFAOYSA-N 0 3 298.818 2.191 10 0 CEAEHN CN(Cc1ccc(C(N)=S)cc1F)C[C@H]1CCCOC1 ZINC000111163015 186364562 /nfs/dbraw/zinc/36/45/62/186364562.db2.gz YQOXFMISWSGTEA-LLVKDONJSA-N 0 3 296.411 2.318 10 0 CEAEHN C[C@H](N)c1cnc(N(C)C[C@@H]2CCCOC2)s1 ZINC000111177055 186365765 /nfs/dbraw/zinc/36/57/65/186365765.db2.gz GFYCHGKCHODVEO-UWVGGRQHSA-N 0 3 255.387 2.026 10 0 CEAEHN N[C@H](c1nc2c(s1)CCCC2)[C@@H]1CCCOC1 ZINC000111322166 186397381 /nfs/dbraw/zinc/39/73/81/186397381.db2.gz VROQJBJWCNIYCO-SKDRFNHKSA-N 0 3 252.383 2.448 10 0 CEAEHN NCc1ccc(C(=O)NC2CCCCCCC2)nc1 ZINC000111281253 186388147 /nfs/dbraw/zinc/38/81/47/186388147.db2.gz WKGMBMQXSPHUQC-UHFFFAOYSA-N 0 3 261.369 2.383 10 0 CEAEHN CCCC1CCN(C(=O)c2ccc(CN)cn2)CC1 ZINC000111282267 186388427 /nfs/dbraw/zinc/38/84/27/186388427.db2.gz XFPRBFASLZPCNB-UHFFFAOYSA-N 0 3 261.369 2.193 10 0 CEAEHN Cc1ccc(NC(=O)c2ccc(CN)cn2)c(F)c1 ZINC000111281349 186388637 /nfs/dbraw/zinc/38/86/37/186388637.db2.gz NVPXRCGOYDGOJK-UHFFFAOYSA-N 0 3 259.284 2.240 10 0 CEAEHN NCc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)nc1 ZINC000111281616 186388751 /nfs/dbraw/zinc/38/87/51/186388751.db2.gz YDSRLPLDSGYDLC-HIFRSBDPSA-N 0 3 273.380 2.335 10 0 CEAEHN NCc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)nc1 ZINC000111281371 186388922 /nfs/dbraw/zinc/38/89/22/186388922.db2.gz MBZHYOLUXCUYHC-UHFFFAOYSA-N 0 3 293.273 2.394 10 0 CEAEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3ccco3)C2)n1 ZINC000121912957 187004594 /nfs/dbraw/zinc/00/45/94/187004594.db2.gz KFLFQYQZQPFLIZ-AWEZNQCLSA-N 0 3 274.368 2.400 10 0 CEAEHN COc1ccc([C@@H](C)NC[C@H](C)N2CCOCC2)c(F)c1 ZINC000123254001 187080821 /nfs/dbraw/zinc/08/08/21/187080821.db2.gz UWTNSSCQQUFOIU-QWHCGFSZSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@H](CN[C@H](C)c1ccc(F)cc1F)N1CCOCC1 ZINC000123301381 187083962 /nfs/dbraw/zinc/08/39/62/187083962.db2.gz YBZIDMANNOFQOM-VXGBXAGGSA-N 0 3 284.350 2.336 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C(C)C)on1 ZINC000123466020 187094153 /nfs/dbraw/zinc/09/41/53/187094153.db2.gz VYRXXVZGYIHVLZ-LBPRGKRZSA-N 0 3 279.384 2.354 10 0 CEAEHN O=C(CCCN1CC[C@@H](CCO)C1)c1ccccc1 ZINC000123690516 187105043 /nfs/dbraw/zinc/10/50/43/187105043.db2.gz LDAQZPJFYQCCDA-AWEZNQCLSA-N 0 3 261.365 2.354 10 0 CEAEHN CC(C)c1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)no1 ZINC000123993020 187117340 /nfs/dbraw/zinc/11/73/40/187117340.db2.gz LXFXPIYXMFAFFA-AAEUAGOBSA-N 0 3 279.384 2.257 10 0 CEAEHN CC(C)n1ncnc1CNCC1C[C@H](C)O[C@@H](C)C1 ZINC000631126294 351977119 /nfs/dbraw/zinc/97/71/19/351977119.db2.gz IIJAOPXAWFHJBD-RYUDHWBXSA-N 0 3 266.389 2.152 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccc(C)s2)C1 ZINC000252644498 539884586 /nfs/dbraw/zinc/88/45/86/539884586.db2.gz OSOZJJNYHYOWBG-CHWSQXEVSA-N 0 3 268.426 2.428 10 0 CEAEHN C[C@@H](CNC(=O)[C@]1(C)CCCCN1)c1ccccc1 ZINC000136143409 187867734 /nfs/dbraw/zinc/86/77/34/187867734.db2.gz WDYKCEBSDSPTLJ-BBRMVZONSA-N 0 3 260.381 2.439 10 0 CEAEHN CC(C)Oc1cncc(NCc2ccc3c(c2)CNC3)n1 ZINC000097829787 539953208 /nfs/dbraw/zinc/95/32/08/539953208.db2.gz IRBVSLNJCRFECA-UHFFFAOYSA-N 0 3 284.363 2.479 10 0 CEAEHN COCc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000155325750 188198904 /nfs/dbraw/zinc/19/89/04/188198904.db2.gz WMYZUSHSIVEAFZ-CJNGLKHVSA-N 0 3 290.407 2.292 10 0 CEAEHN Cc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C)o1 ZINC000155667984 188220240 /nfs/dbraw/zinc/22/02/40/188220240.db2.gz KVVCKPLKNJYMMM-IINYFYTJSA-N 0 3 264.369 2.355 10 0 CEAEHN CC[C@@H](CCO)N[C@@H](C)c1c(C)nn(CC)c1C ZINC000131906569 366098386 /nfs/dbraw/zinc/09/83/86/366098386.db2.gz XKMYLVXVBLOMRG-GWCFXTLKSA-N 0 3 253.390 2.331 10 0 CEAEHN Cc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)nn1C ZINC000337275027 366119999 /nfs/dbraw/zinc/11/99/99/366119999.db2.gz FSXZXYDZNNWRNF-BZUAXINKSA-N 0 3 277.412 2.244 10 0 CEAEHN Fc1ccc2c(c1)[C@H](N[C@@H]1CCc3ncnn3C1)CC2 ZINC000175010481 283006943 /nfs/dbraw/zinc/00/69/43/283006943.db2.gz TUAZSONIZZTOHB-TZMCWYRMSA-N 0 3 272.327 2.009 10 0 CEAEHN C[C@H]1CC[C@@H](C(=O)Nc2ccc(OCCN(C)C)cc2)O1 ZINC000132981358 366185957 /nfs/dbraw/zinc/18/59/57/366185957.db2.gz IEHWMPSMKRTQAB-WFASDCNBSA-N 0 3 292.379 2.133 10 0 CEAEHN CCOc1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171890940 188765773 /nfs/dbraw/zinc/76/57/73/188765773.db2.gz GLDAVIXMNNZLHP-CQSZACIVSA-N 0 3 289.379 2.397 10 0 CEAEHN CC(C)NCC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037609975 540153703 /nfs/dbraw/zinc/15/37/03/540153703.db2.gz KAZGFXZLNUUXCL-SECBINFHSA-N 0 3 256.296 2.140 10 0 CEAEHN N=C(N)Nc1ccc(F)c(Br)c1F ZINC000575484936 366292064 /nfs/dbraw/zinc/29/20/64/366292064.db2.gz KFRYSYCBNKQIQX-UHFFFAOYSA-N 0 3 250.046 2.033 10 0 CEAEHN Nc1ccnc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000575601130 366297954 /nfs/dbraw/zinc/29/79/54/366297954.db2.gz JSFGGGQGIHWRRY-UHFFFAOYSA-N 0 3 268.364 2.269 10 0 CEAEHN C[C@H]1C[C@@H]1NC(=O)NCCCN(C)Cc1ccccc1 ZINC000075977949 363503863 /nfs/dbraw/zinc/50/38/63/363503863.db2.gz DHLVXPAQOYGKED-ZFWWWQNUSA-N 0 3 275.396 2.216 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCC(=O)NC(C)(C)C)c1C ZINC000135680228 366467259 /nfs/dbraw/zinc/46/72/59/366467259.db2.gz ADXPIGAGVBBBII-NSHDSACASA-N 0 3 294.443 2.475 10 0 CEAEHN O[C@@H]1CCC[C@@H](CN2CCOc3ccccc3C2)C1 ZINC000311637850 540457672 /nfs/dbraw/zinc/45/76/72/540457672.db2.gz KHBMJEDYVPMABU-UKRRQHHQSA-N 0 3 261.365 2.432 10 0 CEAEHN CN(C)C[C@@H](NC(=O)CC[C@H]1CCOC1)c1ccccc1 ZINC000176584780 189000569 /nfs/dbraw/zinc/00/05/69/189000569.db2.gz AHWJFVIAXUNFAH-GOEBONIOSA-N 0 3 290.407 2.222 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCc2cnccn2)c1C ZINC000341900000 216144255 /nfs/dbraw/zinc/14/42/55/216144255.db2.gz WPQDEQQNOPQBAO-LLVKDONJSA-N 0 3 273.384 2.203 10 0 CEAEHN COc1cccc([C@@H](C)CC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000177646624 189060923 /nfs/dbraw/zinc/06/09/23/189060923.db2.gz XHTDNFBBCJKARA-DZGCQCFKSA-N 0 3 290.407 2.351 10 0 CEAEHN C[C@H](NC[C@H](O)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000268849660 299314738 /nfs/dbraw/zinc/31/47/38/299314738.db2.gz COGIOAOTFZLLJK-FZMZJTMJSA-N 0 3 299.436 2.148 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H](C)COCc1ccccc1)N(C)C ZINC000179468263 189196096 /nfs/dbraw/zinc/19/60/96/189196096.db2.gz FFVCULVUHKVJLN-HOCLYGCPSA-N 0 3 292.423 2.438 10 0 CEAEHN c1cnn(CC2CCN(Cc3cnn4ccccc34)CC2)c1 ZINC000179532019 189200375 /nfs/dbraw/zinc/20/03/75/189200375.db2.gz QVSVZZWZJGJHSS-UHFFFAOYSA-N 0 3 295.390 2.443 10 0 CEAEHN Cc1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000180227479 189244993 /nfs/dbraw/zinc/24/49/93/189244993.db2.gz GVNTWCOVZWAKGH-IUODEOHRSA-N 0 3 280.437 2.209 10 0 CEAEHN Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@@H]1CN(C)CCO1 ZINC000180497237 189258633 /nfs/dbraw/zinc/25/86/33/189258633.db2.gz MTSDIFULPJNFBM-FMKPAKJESA-N 0 3 274.408 2.464 10 0 CEAEHN C[C@H](CCN[C@H](C)c1cnn(C)c1)NC(=O)OC(C)(C)C ZINC000180515743 189260111 /nfs/dbraw/zinc/26/01/11/189260111.db2.gz RWOQUAGMETZUMJ-VXGBXAGGSA-N 0 3 296.415 2.374 10 0 CEAEHN CC[C@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1F ZINC000180853414 189280069 /nfs/dbraw/zinc/28/00/69/189280069.db2.gz ACOFRWUCMNUTFG-RISCZKNCSA-N 0 3 274.343 2.473 10 0 CEAEHN CCSCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152454800 366696880 /nfs/dbraw/zinc/69/68/80/366696880.db2.gz SLLREXYKFOBBAZ-ZDUSSCGKSA-N 0 3 252.383 2.288 10 0 CEAEHN CCC[C@@H](N)C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000083479123 363775177 /nfs/dbraw/zinc/77/51/77/363775177.db2.gz WSSZQSKDINFZAI-CHWSQXEVSA-N 0 3 264.369 2.006 10 0 CEAEHN CN(C)C[C@H]1CN(CCSc2ccc(F)cc2)CCO1 ZINC000155267782 366813235 /nfs/dbraw/zinc/81/32/35/366813235.db2.gz VHJHROQBCYWVEI-AWEZNQCLSA-N 0 3 298.427 2.180 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000155320680 366815930 /nfs/dbraw/zinc/81/59/30/366815930.db2.gz FUMUAKRFVMDBJN-HZMBPMFUSA-N 0 3 282.334 2.423 10 0 CEAEHN C[C@]1(CN2CCN3CCCC[C@@H]3C2)CCCS1 ZINC000155820772 366823552 /nfs/dbraw/zinc/82/35/52/366823552.db2.gz HOETYGAWPIQZIU-ZIAGYGMSSA-N 0 3 254.443 2.442 10 0 CEAEHN N[C@H]1CCOc2c(I)cccc21 ZINC000016082984 361482953 /nfs/dbraw/zinc/48/29/53/361482953.db2.gz HSIABZSZVHCIEE-QMMMGPOBSA-N 0 3 275.089 2.074 10 0 CEAEHN Cc1c(CN[C@@H](C)CN(C)Cc2ccccc2)cnn1C ZINC000342427415 216349205 /nfs/dbraw/zinc/34/92/05/216349205.db2.gz YOZGKNJORUODSV-AWEZNQCLSA-N 0 3 286.423 2.339 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1ccc(Br)cn1 ZINC000084223982 363803174 /nfs/dbraw/zinc/80/31/74/363803174.db2.gz AYWCERQZCFLUPX-CABZTGNLSA-N 0 3 285.185 2.095 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC[C@@H](C)[S@](C)=O)c1C ZINC000090513774 364060471 /nfs/dbraw/zinc/06/04/71/364060471.db2.gz FSEUBENAXBVQPO-RMDKCXRXSA-N 0 3 285.457 2.328 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NOCc1ccccc1 ZINC000103307193 364640591 /nfs/dbraw/zinc/64/05/91/364640591.db2.gz NVRDSIDSISFIMQ-OAHLLOKOSA-N 0 3 293.411 2.394 10 0 CEAEHN COC[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000103428392 364651853 /nfs/dbraw/zinc/65/18/53/364651853.db2.gz FUADFJVLHPGQGM-GDBMZVCRSA-N 0 3 290.407 2.222 10 0 CEAEHN C[C@H](CNC(=O)N[C@H]1C[C@H]1C)N(C)Cc1ccccc1 ZINC000111490389 364741687 /nfs/dbraw/zinc/74/16/87/364741687.db2.gz VGQDKIVJOYSWCX-NFAWXSAZSA-N 0 3 275.396 2.215 10 0 CEAEHN COc1cccc(CN[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000105905289 364703110 /nfs/dbraw/zinc/70/31/10/364703110.db2.gz COBUKSGRIVZMPO-HNNXBMFYSA-N 0 3 298.390 2.244 10 0 CEAEHN CC[C@H](OC1CCCC1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000112905170 364855225 /nfs/dbraw/zinc/85/52/25/364855225.db2.gz VGKNAFWQTHHJLC-HIFRSBDPSA-N 0 3 282.428 2.325 10 0 CEAEHN CCOc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1C ZINC000113170044 364872726 /nfs/dbraw/zinc/87/27/26/364872726.db2.gz PWSJLEXANZJNEL-CQSZACIVSA-N 0 3 276.380 2.170 10 0 CEAEHN CN(C)CCOc1ccc(Br)c(C=O)c1 ZINC000114811350 364967835 /nfs/dbraw/zinc/96/78/35/364967835.db2.gz AQXTWAJJJZSHKM-UHFFFAOYSA-N 0 3 272.142 2.202 10 0 CEAEHN CC1(C)CN(Cc2ccc3ccccc3n2)C[C@H]1O ZINC000335781905 364975403 /nfs/dbraw/zinc/97/54/03/364975403.db2.gz MWJBCXNNXXHNRY-OAHLLOKOSA-N 0 3 256.349 2.438 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000116190140 365042259 /nfs/dbraw/zinc/04/22/59/365042259.db2.gz CZYPDUAQTVRFPF-GRYCIOLGSA-N 0 3 294.345 2.231 10 0 CEAEHN CN(C)C[C@H]1CN(C(=O)NCCCCC(C)(C)C)CCO1 ZINC000117045763 365089594 /nfs/dbraw/zinc/08/95/94/365089594.db2.gz DWYDWPHJFVEQCH-AWEZNQCLSA-N 0 3 299.459 2.175 10 0 CEAEHN CCc1cccc(NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000118792518 365180534 /nfs/dbraw/zinc/18/05/34/365180534.db2.gz REZGHRSQDBIQIE-OAHLLOKOSA-N 0 3 291.395 2.043 10 0 CEAEHN CCSCCN1CCC(N(C)c2cccnn2)CC1 ZINC000119117077 365219770 /nfs/dbraw/zinc/21/97/70/365219770.db2.gz KIVSKZGNIHPKFK-UHFFFAOYSA-N 0 3 280.441 2.130 10 0 CEAEHN CCC1(CN2CCO[C@H]3CCC[C@H]32)CCOCC1 ZINC000335979122 365246340 /nfs/dbraw/zinc/24/63/40/365246340.db2.gz MBZWPNDVABBMFS-KGLIPLIRSA-N 0 3 253.386 2.447 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1ccc(C(=O)OC)s1 ZINC000119565450 365291983 /nfs/dbraw/zinc/29/19/83/365291983.db2.gz MVGLFAPXUTUFNQ-LBPRGKRZSA-N 0 3 296.436 2.451 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1cc(F)cc(F)c1 ZINC000282432259 299358374 /nfs/dbraw/zinc/35/83/74/299358374.db2.gz TZZHUMNVDNGEBJ-IGJMFERPSA-N 0 3 268.307 2.283 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccnc(OC(C)C)c1)N(C)C ZINC000120412344 365421507 /nfs/dbraw/zinc/42/15/07/365421507.db2.gz SOLHZXPUPVUPLG-AWEZNQCLSA-N 0 3 293.411 2.215 10 0 CEAEHN CCNC(=O)NC(=O)CN[C@@H](C)c1ccc2ccccc2c1 ZINC000120446188 365425971 /nfs/dbraw/zinc/42/59/71/365425971.db2.gz GDMYJLFCYCLUBV-LBPRGKRZSA-N 0 3 299.374 2.336 10 0 CEAEHN c1cn(-c2ccccc2)c([C@H]2OCC[C@@H]2N[C@@H]2CCOC2)n1 ZINC000583616527 367072890 /nfs/dbraw/zinc/07/28/90/367072890.db2.gz HTSWARQJQUETIT-KBMXLJTQSA-N 0 3 299.374 2.081 10 0 CEAEHN C[C@@H](N[C@H]1CCO[C@@H]1c1nccn1C)c1cncc(F)c1 ZINC000583616539 367073450 /nfs/dbraw/zinc/07/34/50/367073450.db2.gz INIPVRBPWWJLSC-SWHYSGLUSA-N 0 3 290.342 2.135 10 0 CEAEHN COCc1ccsc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245537793 370835287 /nfs/dbraw/zinc/83/52/87/370835287.db2.gz YRQGEKMRNGSQDN-WCQYABFASA-N 0 3 296.436 2.353 10 0 CEAEHN CCC[C@H](C(=O)NCCCNc1ccc(C)cn1)N(C)C ZINC000162402460 367157843 /nfs/dbraw/zinc/15/78/43/367157843.db2.gz YPBGFIUXEFAXQR-CQSZACIVSA-N 0 3 292.427 2.039 10 0 CEAEHN C[C@@H]1CCC[C@@H](CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000245605637 370848607 /nfs/dbraw/zinc/84/86/07/370848607.db2.gz MGEULEDXIREOHZ-BZUAXINKSA-N 0 3 277.412 2.410 10 0 CEAEHN CN(C)C[C@@H](NC(=O)COC(C)(C)C)c1ccccc1 ZINC000164739099 367295410 /nfs/dbraw/zinc/29/54/10/367295410.db2.gz AFUQCHZMVQNBGV-CQSZACIVSA-N 0 3 278.396 2.221 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000170827616 367426332 /nfs/dbraw/zinc/42/63/32/367426332.db2.gz CZNPWLJHZJFJPQ-HZPDHXFCSA-N 0 3 287.407 2.483 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000170827608 367426419 /nfs/dbraw/zinc/42/64/19/367426419.db2.gz CZNPWLJHZJFJPQ-CVEARBPZSA-N 0 3 287.407 2.483 10 0 CEAEHN CCN(CC)c1ccc(C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170859467 367431839 /nfs/dbraw/zinc/43/18/39/367431839.db2.gz UHXHXRYCMHPXNP-MRXNPFEDSA-N 0 3 289.423 2.309 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCSc2ccccc2F)C1 ZINC000170857720 367432147 /nfs/dbraw/zinc/43/21/47/367432147.db2.gz MGYUHMRZNCTCHW-GFCCVEGCSA-N 0 3 296.411 2.470 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)sc1C ZINC000170855884 367433291 /nfs/dbraw/zinc/43/32/91/367433291.db2.gz BSYPXUSFPKMRQA-LLVKDONJSA-N 0 3 252.383 2.141 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000170863918 367433763 /nfs/dbraw/zinc/43/37/63/367433763.db2.gz NCPFDDBMNXCNHD-GFCCVEGCSA-N 0 3 282.334 2.060 10 0 CEAEHN O=C(N1CCN2CCC[C@H]2C1)C1(c2ccccc2)CCC1 ZINC000171585951 367573326 /nfs/dbraw/zinc/57/33/26/367573326.db2.gz CWQNSQGORBRODK-INIZCTEOSA-N 0 3 284.403 2.415 10 0 CEAEHN C[C@@H]1CN(C/C=C/CN2CCS[C@@H](C)C2)CCS1 ZINC000171691248 367594287 /nfs/dbraw/zinc/59/42/87/367594287.db2.gz VZNPWDBMPYRTAX-ISANGGDFSA-N 0 3 286.510 2.417 10 0 CEAEHN COc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1F ZINC000171890058 367634140 /nfs/dbraw/zinc/63/41/40/367634140.db2.gz WVGAYLCMURAYSC-GFCCVEGCSA-N 0 3 293.342 2.146 10 0 CEAEHN Cc1cc(CN2CCO[C@@H](CN(C)C)C2)c2ccccc2n1 ZINC000172418171 367738168 /nfs/dbraw/zinc/73/81/68/367738168.db2.gz KHWULTXAMMEWJO-INIZCTEOSA-N 0 3 299.418 2.306 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2coc3ccccc23)C[C@H]1C ZINC000245762012 370871525 /nfs/dbraw/zinc/87/15/25/370871525.db2.gz PYSDVJCZMCAXKF-KGLIPLIRSA-N 0 3 288.391 2.320 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(Cl)n2)CCN1C[C@@H](C)O ZINC000173677177 367932584 /nfs/dbraw/zinc/93/25/84/367932584.db2.gz FFJIBHJOGGPNJU-OCCSQVGLSA-N 0 3 297.830 2.012 10 0 CEAEHN c1ccc(-c2nsc(N3CCN4CCC[C@@H]4C3)n2)cc1 ZINC000173747461 367940352 /nfs/dbraw/zinc/94/03/52/367940352.db2.gz HGMVHMSEUSZOJZ-CYBMUJFWSA-N 0 3 286.404 2.490 10 0 CEAEHN CC[C@@H](NC[C@H]1CN(CC)CCO1)c1ccc(OC)cc1 ZINC000163847799 541679307 /nfs/dbraw/zinc/67/93/07/541679307.db2.gz AFBJAVKBWOLDBF-DLBZAZTESA-N 0 3 292.423 2.457 10 0 CEAEHN FC(F)(F)COCCCN1CCN2CCCC[C@@H]2C1 ZINC000246203080 370926437 /nfs/dbraw/zinc/92/64/37/370926437.db2.gz NWIGEGQPBSCQSP-GFCCVEGCSA-N 0 3 280.334 2.126 10 0 CEAEHN Cc1cccc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246103320 370908984 /nfs/dbraw/zinc/90/89/84/370908984.db2.gz HQPRMTHEZNQLRX-HIFRSBDPSA-N 0 3 296.436 2.002 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2ccccn2)C12CCOCC2 ZINC000186197932 368935490 /nfs/dbraw/zinc/93/54/90/368935490.db2.gz GYIOCZKNTPUKQJ-HUUCEWRRSA-N 0 3 276.380 2.145 10 0 CEAEHN CC(C)OC(=O)CCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188136943 369304209 /nfs/dbraw/zinc/30/42/09/369304209.db2.gz GUPQZJUDWLXLQH-KBPBESRZSA-N 0 3 297.420 2.098 10 0 CEAEHN CC[C@@]1(C)CN(C(=O)N[C@H](CC(C)C)CN(C)C)CCO1 ZINC000188178764 369312129 /nfs/dbraw/zinc/31/21/29/369312129.db2.gz LTKNZYUCNHXXAY-ZBFHGGJFSA-N 0 3 299.459 2.173 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1OC ZINC000246645005 370989199 /nfs/dbraw/zinc/98/91/99/370989199.db2.gz VYFWCTYBHDBWQR-KBPBESRZSA-N 0 3 288.391 2.394 10 0 CEAEHN CCOCCN1CCN(Cc2cncc(C)c2)C[C@@H]1CC ZINC000189872549 369574498 /nfs/dbraw/zinc/57/44/98/369574498.db2.gz XPLNYVDOGDGRCK-KRWDZBQOSA-N 0 3 291.439 2.323 10 0 CEAEHN CC(C)C(CNC(=O)N1CC[C@@H](N(C)C)C1)C(C)C ZINC000194369840 370030856 /nfs/dbraw/zinc/03/08/56/370030856.db2.gz MKUCBLJYZBTCMV-CYBMUJFWSA-N 0 3 269.433 2.260 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000195205151 370114123 /nfs/dbraw/zinc/11/41/23/370114123.db2.gz VGOMHHSSFZLCLU-LSDHHAIUSA-N 0 3 295.427 2.341 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000195192528 370112568 /nfs/dbraw/zinc/11/25/68/370112568.db2.gz KUHITZIXFREUHV-QLFBSQMISA-N 0 3 291.370 2.027 10 0 CEAEHN CCN[C@@H](C)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000637919766 370171181 /nfs/dbraw/zinc/17/11/81/370171181.db2.gz UEIYCZWEFJGADR-BDAKNGLRSA-N 0 3 256.296 2.140 10 0 CEAEHN COC(=O)Nc1ccc(NC[C@@H]2CCCCN2C)c(N)c1 ZINC000202652387 370152456 /nfs/dbraw/zinc/15/24/56/370152456.db2.gz GXIBQYVDFDSDDK-LBPRGKRZSA-N 0 3 292.383 2.343 10 0 CEAEHN CC[C@H](CC(=O)N[C@H](CN)C(F)(F)F)C(C)(C)C ZINC000638396107 370496774 /nfs/dbraw/zinc/49/67/74/370496774.db2.gz HBLHNAYYXZFJPR-RKDXNWHRSA-N 0 3 268.323 2.455 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cccc(OCCF)c1 ZINC000236787534 370627489 /nfs/dbraw/zinc/62/74/89/370627489.db2.gz LAGOUGXLIMTUKM-GFCCVEGCSA-N 0 3 254.305 2.101 10 0 CEAEHN COc1cc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)sn1 ZINC000639134469 371011885 /nfs/dbraw/zinc/01/18/85/371011885.db2.gz CINVTZZPOMTXIA-JGPRNRPPSA-N 0 3 270.398 2.445 10 0 CEAEHN CCCC[C@@H](C(=O)OC)N1CCC[C@H]1Cn1ccnc1C ZINC000246843222 371020116 /nfs/dbraw/zinc/02/01/16/371020116.db2.gz BTJREJMSSCJSHZ-GJZGRUSLSA-N 0 3 293.411 2.388 10 0 CEAEHN COCc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000247086059 371062038 /nfs/dbraw/zinc/06/20/38/371062038.db2.gz HZYJSLRQGFANJU-BBRMVZONSA-N 0 3 288.391 2.142 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H]1CCCO1 ZINC000247094373 371062862 /nfs/dbraw/zinc/06/28/62/371062862.db2.gz HTVRHGUCCPCCHR-KGLIPLIRSA-N 0 3 263.385 2.353 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCC[C@H](SC)C2)C1 ZINC000247090695 371063151 /nfs/dbraw/zinc/06/31/51/371063151.db2.gz LZXIKHWQWZBKRG-IHRRRGAJSA-N 0 3 299.484 2.444 10 0 CEAEHN C[C@@H](CNC(=O)N[C@H]1C[C@H]1C)N(C)Cc1ccccc1 ZINC000247646506 371131875 /nfs/dbraw/zinc/13/18/75/371131875.db2.gz VGQDKIVJOYSWCX-IPYPFGDCSA-N 0 3 275.396 2.215 10 0 CEAEHN COc1ccsc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247457434 371110616 /nfs/dbraw/zinc/11/06/16/371110616.db2.gz QMCZRPJYNUEBPQ-MNOVXSKESA-N 0 3 280.393 2.065 10 0 CEAEHN CC[C@@H]1CN(Cc2ccccc2F)CCN1C[C@H](C)O ZINC000247583673 371128532 /nfs/dbraw/zinc/12/85/32/371128532.db2.gz ITKZFDYNXQNGLH-DZGCQCFKSA-N 0 3 280.387 2.103 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000248397525 371186005 /nfs/dbraw/zinc/18/60/05/371186005.db2.gz LWUGTRHGNRWOFI-WDEREUQCSA-N 0 3 291.317 2.006 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)c1cnccn1 ZINC000248598352 371219685 /nfs/dbraw/zinc/21/96/85/371219685.db2.gz BEMPWMNGZFHLPV-TZMCWYRMSA-N 0 3 271.368 2.207 10 0 CEAEHN CC(=O)CC(C)(C)CC(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000249018576 371283750 /nfs/dbraw/zinc/28/37/50/371283750.db2.gz JTTNHIPCRSRJCO-OCCSQVGLSA-N 0 3 280.412 2.077 10 0 CEAEHN Cc1oncc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000249280036 371309003 /nfs/dbraw/zinc/30/90/03/371309003.db2.gz NEJIVJBCGNVIQQ-KBPBESRZSA-N 0 3 250.342 2.110 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000249860541 371367102 /nfs/dbraw/zinc/36/71/02/371367102.db2.gz FWRTVKGLTGLPDS-ZIAGYGMSSA-N 0 3 278.400 2.047 10 0 CEAEHN CC(=O)c1cc(F)ccc1N1CCN2CCC[C@H]2C1 ZINC000250760962 371390549 /nfs/dbraw/zinc/39/05/49/371390549.db2.gz SKNGJDWESILUHQ-ZDUSSCGKSA-N 0 3 262.328 2.313 10 0 CEAEHN CO[C@@H]1CN(C(=O)N[C@H](CC(C)C)CN(C)C)CC[C@@H]1C ZINC000251679519 371412817 /nfs/dbraw/zinc/41/28/17/371412817.db2.gz IXEMCVDXHJPGAD-RRFJBIMHSA-N 0 3 299.459 2.029 10 0 CEAEHN CC(C)C(=O)N[C@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000261704862 371706123 /nfs/dbraw/zinc/70/61/23/371706123.db2.gz OUERVGRRFZMSGM-HNNXBMFYSA-N 0 3 275.396 2.005 10 0 CEAEHN Cc1cc(NC(=O)C2(N)CCOCC2)ccc1OC(C)C ZINC000261753177 371720537 /nfs/dbraw/zinc/72/05/37/371720537.db2.gz FKMTZNDCUYAQDT-UHFFFAOYSA-N 0 3 292.379 2.229 10 0 CEAEHN CC(C)(C)[C@@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261762119 371724025 /nfs/dbraw/zinc/72/40/25/371724025.db2.gz LVIVNCWNYBLUHG-HUUCEWRRSA-N 0 3 296.455 2.415 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000262496502 371868447 /nfs/dbraw/zinc/86/84/47/371868447.db2.gz ZSEHGLNCRFYKAP-JYJNAYRXSA-N 0 3 290.407 2.459 10 0 CEAEHN CSCC[C@H](N)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000262717604 371901048 /nfs/dbraw/zinc/90/10/48/371901048.db2.gz WHWADGPNALMBPB-MFKMUULPSA-N 0 3 284.425 2.106 10 0 CEAEHN COC[C@@]1(C(=O)Nc2nc3ccccc3s2)CCCN1 ZINC000643614756 373220938 /nfs/dbraw/zinc/22/09/38/373220938.db2.gz KBLKTLUTXPKIFG-CQSZACIVSA-N 0 3 291.376 2.003 10 0 CEAEHN COC[C@]1(C(=O)Nc2nc3ccccc3s2)CCCN1 ZINC000643614755 373220960 /nfs/dbraw/zinc/22/09/60/373220960.db2.gz KBLKTLUTXPKIFG-AWEZNQCLSA-N 0 3 291.376 2.003 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(Cl)cc2F)CCCN1 ZINC000643615606 373222458 /nfs/dbraw/zinc/22/24/58/373222458.db2.gz RGWVHMNEWHASKT-CYBMUJFWSA-N 0 3 286.734 2.186 10 0 CEAEHN COC[C@]1(C(=O)Nc2cc(C)ccc2Cl)CCCN1 ZINC000643628368 373225305 /nfs/dbraw/zinc/22/53/05/373225305.db2.gz RHSRJJRWXJYJKV-AWEZNQCLSA-N 0 3 282.771 2.356 10 0 CEAEHN C[C@@H](NC(=O)[C@@H]1NCC1(C)C)c1ccc(F)c(F)c1 ZINC000644007406 373336539 /nfs/dbraw/zinc/33/65/39/373336539.db2.gz XKRHDGIXKIDGRD-PELKAZGASA-N 0 3 268.307 2.140 10 0 CEAEHN CCN1CCC[C@H](N[C@@H](C)c2cncc(F)c2)C1 ZINC000133055828 220206644 /nfs/dbraw/zinc/20/66/44/220206644.db2.gz GXKYUUFHONGVJS-FZMZJTMJSA-N 0 3 251.349 2.356 10 0 CEAEHN CCN1CC[C@H](N[C@@H](C)c2c(C)nn(CC)c2C)C1 ZINC000389283657 375301076 /nfs/dbraw/zinc/30/10/76/375301076.db2.gz VIEWRJIFOCTDGP-FZMZJTMJSA-N 0 3 264.417 2.265 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(F)cc1Cl ZINC000282338693 375459245 /nfs/dbraw/zinc/45/92/45/375459245.db2.gz LZAJBTDGFOIDSF-PRHODGIISA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@H](NCc1nc2ccc(O)cc2o1)[C@H]1CCCOC1 ZINC000408522224 375509921 /nfs/dbraw/zinc/50/99/21/375509921.db2.gz FONOKSPUNVJGIU-QWRGUYRKSA-N 0 3 276.336 2.438 10 0 CEAEHN C[C@H](CN[C@@H](C)c1ccnn1C)N(C)C(=O)OC(C)(C)C ZINC000283167276 375667273 /nfs/dbraw/zinc/66/72/73/375667273.db2.gz IYTSCCUBOFAMHF-NEPJUHHUSA-N 0 3 296.415 2.326 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(C(F)F)cc2)C1 ZINC000165915810 542153184 /nfs/dbraw/zinc/15/31/84/542153184.db2.gz VWJJMAHTMLGRDL-AWEZNQCLSA-N 0 3 284.350 2.435 10 0 CEAEHN Cc1cc(F)c(C(=O)N2CCN3CCC[C@@H]3C2)cc1F ZINC000177331807 542244954 /nfs/dbraw/zinc/24/49/54/542244954.db2.gz MONBBRCYQNEIBW-LLVKDONJSA-N 0 3 280.318 2.193 10 0 CEAEHN COCCCCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000300405430 379164986 /nfs/dbraw/zinc/16/49/86/379164986.db2.gz PYZVZLISIVZAML-HUUCEWRRSA-N 0 3 254.418 2.362 10 0 CEAEHN CCCN(Cc1ncccc1C(=O)OC)CC1CC1 ZINC000302466067 379376723 /nfs/dbraw/zinc/37/67/23/379376723.db2.gz YXVMOHNSHLDYID-UHFFFAOYSA-N 0 3 262.353 2.490 10 0 CEAEHN CC(C)CN(CC(C)C)C(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000183148435 542287537 /nfs/dbraw/zinc/28/75/37/542287537.db2.gz TXTQSHGFYJOHBZ-CABCVRRESA-N 0 3 284.444 2.284 10 0 CEAEHN CNCc1cc(C)c(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000088921630 184614221 /nfs/dbraw/zinc/61/42/21/184614221.db2.gz XRVSEQXHYTZGGS-UHFFFAOYSA-N 0 3 296.436 2.197 10 0 CEAEHN CCN[C@@H]1c2cc(OC)ccc2C[C@@H]1n1cccn1 ZINC000092835911 184630465 /nfs/dbraw/zinc/63/04/65/184630465.db2.gz FLNYIAPQVWAUFO-LSDHHAIUSA-N 0 3 257.337 2.340 10 0 CEAEHN CC(C)(C)c1ncc(CN[C@H]2CCC[C@H](O)C2)cn1 ZINC000388573849 542371590 /nfs/dbraw/zinc/37/15/90/542371590.db2.gz UMFCAENSIKGAJK-STQMWFEESA-N 0 3 263.385 2.167 10 0 CEAEHN CCN[C@H](CC)[C@@H](C)S(=O)(=O)c1ccccc1F ZINC000081923007 177895852 /nfs/dbraw/zinc/89/58/52/177895852.db2.gz AUAKPSSUYRILAC-ZYHUDNBSSA-N 0 3 273.373 2.376 10 0 CEAEHN CN[C@@H](c1cc(C)ccc1OC)[C@@H]1CSCCO1 ZINC000094503058 184811674 /nfs/dbraw/zinc/81/16/74/184811674.db2.gz MJZLEHDNJBGFRH-KBPBESRZSA-N 0 3 267.394 2.396 10 0 CEAEHN CCN[C@@H](C)c1cc(F)ccc1O[C@H]1CCN(C)C1=O ZINC000094618875 184827090 /nfs/dbraw/zinc/82/70/90/184827090.db2.gz BAEQPFGYPLTEHX-HZMBPMFUSA-N 0 3 280.343 2.106 10 0 CEAEHN CCCN[C@H](C)c1cc(F)ccc1OC[C@@H](O)COC ZINC000094620304 184827172 /nfs/dbraw/zinc/82/71/72/184827172.db2.gz UNJYATMUPGBQFY-YPMHNXCESA-N 0 3 285.359 2.272 10 0 CEAEHN O=[S@](CCCN1CCCC1)c1cccc(F)c1 ZINC000094626945 184828666 /nfs/dbraw/zinc/82/86/66/184828666.db2.gz DJFXNOJQNDCLRM-KRWDZBQOSA-N 0 3 255.358 2.419 10 0 CEAEHN CCNc1cc(C)ccc1C(=O)NCCN1CCCC1 ZINC000094928608 184895144 /nfs/dbraw/zinc/89/51/44/184895144.db2.gz WMKOXJGDXCLRKO-UHFFFAOYSA-N 0 3 275.396 2.252 10 0 CEAEHN CO[C@H](C)CNCc1cnc2c(cnn2C(C)C)c1 ZINC000191142957 130189975 /nfs/dbraw/zinc/18/99/75/130189975.db2.gz QFEGBEHASFXBFA-LLVKDONJSA-N 0 3 262.357 2.137 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262730762 131256751 /nfs/dbraw/zinc/25/67/51/131256751.db2.gz BLMYOIPEQFUHNC-VRKREXBASA-N 0 3 272.392 2.307 10 0 CEAEHN C[C@@H]1CN(c2ccc(Br)c(F)c2)CCN1 ZINC000083536285 135027217 /nfs/dbraw/zinc/02/72/17/135027217.db2.gz WNVVXBCPBAXESY-MRVPVSSYSA-N 0 3 273.149 2.386 10 0 CEAEHN C[C@]1(c2ccccc2)CN(c2cccnc2)CCN1 ZINC000086122152 135038656 /nfs/dbraw/zinc/03/86/56/135038656.db2.gz NMKKPDICFFLKFE-MRXNPFEDSA-N 0 3 253.349 2.407 10 0 CEAEHN c1cc(N2CCC[C@@H]3CCC[C@@H]32)nnc1CNC1CC1 ZINC000087783584 135051352 /nfs/dbraw/zinc/05/13/52/135051352.db2.gz WQYLTILPMMFIPD-WFASDCNBSA-N 0 3 272.396 2.498 10 0 CEAEHN CC(C)C[C@](C)(O)CN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000090267328 135062886 /nfs/dbraw/zinc/06/28/86/135062886.db2.gz SEEFGTZMOFIGQL-YOEHRIQHSA-N 0 3 290.407 2.481 10 0 CEAEHN CC(C)CNCc1cc(N2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000090907762 135066455 /nfs/dbraw/zinc/06/64/55/135066455.db2.gz AKKSWWOODJDXID-IYBDPMFKSA-N 0 3 275.396 2.195 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1cncc(CNC(C)(C)C)n1 ZINC000091420723 135069333 /nfs/dbraw/zinc/06/93/33/135069333.db2.gz TYQNVQJJWSCUMT-GXTWGEPZSA-N 0 3 292.427 2.368 10 0 CEAEHN CCNCc1cncc(N2CCC(C(F)(F)F)CC2)n1 ZINC000091422136 135069849 /nfs/dbraw/zinc/06/98/49/135069849.db2.gz RESLQBUMIPGWLG-UHFFFAOYSA-N 0 3 288.317 2.365 10 0 CEAEHN CCCNCc1cncc(N2C[C@@H](C)S[C@@H](C)C2)n1 ZINC000091421886 135070009 /nfs/dbraw/zinc/07/00/09/135070009.db2.gz AQJDMUQIJYBQSK-TXEJJXNPSA-N 0 3 280.441 2.306 10 0 CEAEHN Cc1cnc(Cl)nc1N1CCN(C(C)(C)C)CC1 ZINC000091658376 135072727 /nfs/dbraw/zinc/07/27/27/135072727.db2.gz PXSRMBBDJDOBQB-UHFFFAOYSA-N 0 3 268.792 2.359 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1c1cccc(F)c1CN ZINC000093395228 135080520 /nfs/dbraw/zinc/08/05/20/135080520.db2.gz ZNYPUEZHHUFQAC-GHMZBOCLSA-N 0 3 252.333 2.288 10 0 CEAEHN CC[C@](C)(N)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000094231624 135084589 /nfs/dbraw/zinc/08/45/89/135084589.db2.gz OOFCXSKHBDIZNW-HNNXBMFYSA-N 0 3 295.814 2.116 10 0 CEAEHN Fc1cccc2c1ncnc2N1CCN2CCCC[C@@H]2C1 ZINC000302660905 394477318 /nfs/dbraw/zinc/47/73/18/394477318.db2.gz IHIGSILFBKMYQW-GFCCVEGCSA-N 0 3 286.354 2.443 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000247545157 394532362 /nfs/dbraw/zinc/53/23/62/394532362.db2.gz DKVFBWRLWPERIN-RLFYNMQTSA-N 0 3 288.435 2.451 10 0 CEAEHN CCOCCN1CCN(C[C@H]2CCC(C)(C)O2)C[C@H]1CC ZINC000248539357 394542335 /nfs/dbraw/zinc/54/23/35/394542335.db2.gz AQJGJZRWWGZGEF-HZPDHXFCSA-N 0 3 298.471 2.377 10 0 CEAEHN CC[C@@](C)(O)CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000249342983 394554065 /nfs/dbraw/zinc/55/40/65/394554065.db2.gz JFNGNZNTDNQWNT-DLBZAZTESA-N 0 3 277.408 2.481 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000083693726 394641075 /nfs/dbraw/zinc/64/10/75/394641075.db2.gz QVYKNCRSCRVYBA-ZDUSSCGKSA-N 0 3 262.353 2.398 10 0 CEAEHN C[C@H]1CN(c2ncc(Br)cc2Cl)CCN1 ZINC000114822639 394752266 /nfs/dbraw/zinc/75/22/66/394752266.db2.gz NFWOQVVKYUHCIW-ZETCQYMHSA-N 0 3 290.592 2.296 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H]2CSC)C1 ZINC000121473224 394798387 /nfs/dbraw/zinc/79/83/87/394798387.db2.gz YAYWEBRIPBMKAC-QWHCGFSZSA-N 0 3 285.457 2.008 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(C2CCCCC2)CC1 ZINC000123668124 394830280 /nfs/dbraw/zinc/83/02/80/394830280.db2.gz NRCMTHOBXPHSFR-OAHLLOKOSA-N 0 3 254.418 2.098 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(CCCSCC(C)C)C1 ZINC000132480723 394931192 /nfs/dbraw/zinc/93/11/92/394931192.db2.gz YVWLORVPBQDEMV-CQSZACIVSA-N 0 3 272.458 2.366 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H]1CCOc2ccccc21)N(C)C ZINC000154172299 395021399 /nfs/dbraw/zinc/02/13/99/395021399.db2.gz BSRSZEUEENFBBO-UKRRQHHQSA-N 0 3 290.407 2.399 10 0 CEAEHN CCC[C@H]1C[C@@H]1NCc1cc(C(=O)OC)c(C)n1C ZINC000291318812 395124113 /nfs/dbraw/zinc/12/41/13/395124113.db2.gz YPBJFSQHGBAEIA-FZMZJTMJSA-N 0 3 264.369 2.398 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCC2(C)C)C1 ZINC000176689664 395142359 /nfs/dbraw/zinc/14/23/59/395142359.db2.gz WFROSAUYJQHLLV-OLZOCXBDSA-N 0 3 267.417 2.299 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@@H]1CCCc3occc31)CC2 ZINC000192984145 395398286 /nfs/dbraw/zinc/39/82/86/395398286.db2.gz XXHNPZDHIBNGPH-DGCLKSJQSA-N 0 3 286.379 2.416 10 0 CEAEHN CC(C)OC1CCC(NC(=O)[C@]2(C)CCCCN2)CC1 ZINC000649375507 396133006 /nfs/dbraw/zinc/13/30/06/396133006.db2.gz DEHSTQWADDSXEG-XUJLQICISA-N 0 3 282.428 2.371 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccccc2OC)C1 ZINC000048768882 400210840 /nfs/dbraw/zinc/21/08/40/400210840.db2.gz LMAJYWXMAMHUTH-GFCCVEGCSA-N 0 3 277.368 2.301 10 0 CEAEHN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000157325300 289211689 /nfs/dbraw/zinc/21/16/89/289211689.db2.gz CGERPRMZEAPFLC-UONOGXRCSA-N 0 3 278.396 2.187 10 0 CEAEHN O=C(CCn1ccc2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000195323367 153280258 /nfs/dbraw/zinc/28/02/58/153280258.db2.gz RVLFGHCPNZBYOP-INIZCTEOSA-N 0 3 297.402 2.338 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2cc(Cl)ccc2F)n1 ZINC000263150683 154024625 /nfs/dbraw/zinc/02/46/25/154024625.db2.gz DAYGKUCUHLEVGP-NSHDSACASA-N 0 3 296.733 2.105 10 0 CEAEHN C[C@H]1CC[C@@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511845 154109078 /nfs/dbraw/zinc/10/90/78/154109078.db2.gz NOZFGMGSTSRCEV-MWTAGDMHSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H]1CC[C@@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511845 154109081 /nfs/dbraw/zinc/10/90/81/154109081.db2.gz NOZFGMGSTSRCEV-MWTAGDMHSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H]1CC[C@@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511845 154109087 /nfs/dbraw/zinc/10/90/87/154109087.db2.gz NOZFGMGSTSRCEV-MWTAGDMHSA-N 0 3 280.412 2.092 10 0 CEAEHN CCOc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282476836 286569080 /nfs/dbraw/zinc/56/90/80/286569080.db2.gz WQTSOSLSTWJBPA-YWPYICTPSA-N 0 3 276.380 2.403 10 0 CEAEHN C[C@H](Cc1ccccc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000171822396 162389793 /nfs/dbraw/zinc/38/97/93/162389793.db2.gz CQPHDNGKQHPXDH-GDBMZVCRSA-N 0 3 272.392 2.172 10 0 CEAEHN C[C@@H](O)CN(Cc1cnc(N)s1)C1CCCCC1 ZINC000261749632 287084681 /nfs/dbraw/zinc/08/46/81/287084681.db2.gz JRIYMXAGSNDGKZ-SNVBAGLBSA-N 0 3 269.414 2.241 10 0 CEAEHN CN(C)c1ccccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000171888346 165051201 /nfs/dbraw/zinc/05/12/01/165051201.db2.gz YATQRYXFFDJRRE-ZDUSSCGKSA-N 0 3 288.395 2.065 10 0 CEAEHN Cc1csc([C@H](C)NC(=O)N2CCN3CCC[C@@H]3C2)n1 ZINC000171906942 165055394 /nfs/dbraw/zinc/05/53/94/165055394.db2.gz MREXONKPCDSSCB-NWDGAFQWSA-N 0 3 294.424 2.002 10 0 CEAEHN CCOCCN1CCN(CCCSC)C[C@@H]1CC ZINC000173681007 165077631 /nfs/dbraw/zinc/07/76/31/165077631.db2.gz QBEUVAOQEBQIKK-AWEZNQCLSA-N 0 3 274.474 2.172 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)COc1cccc(C)c1 ZINC000176974894 165180252 /nfs/dbraw/zinc/18/02/52/165180252.db2.gz HFMZGQJJSLVBFB-HNNXBMFYSA-N 0 3 290.407 2.317 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(F)ccc1OC ZINC000176966810 165180954 /nfs/dbraw/zinc/18/09/54/165180954.db2.gz WHILBELSAHETLD-CYBMUJFWSA-N 0 3 294.370 2.391 10 0 CEAEHN C[C@@H]1CC[C@H](CC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000177741822 165205891 /nfs/dbraw/zinc/20/58/91/165205891.db2.gz FAXYIFKJDOJXJN-HZSPNIEDSA-N 0 3 250.386 2.119 10 0 CEAEHN CC(C)CCc1noc(CN2CCN3CCCC[C@@H]3C2)n1 ZINC000177765802 165206361 /nfs/dbraw/zinc/20/63/61/165206361.db2.gz JPIWFQCWURAMJZ-CQSZACIVSA-N 0 3 292.427 2.328 10 0 CEAEHN COc1ccc(OC)c([C@H](CN)N(C)C(C)C)c1 ZINC000019260299 170761813 /nfs/dbraw/zinc/76/18/13/170761813.db2.gz SRRGMQJAAQUSMY-ZDUSSCGKSA-N 0 3 252.358 2.044 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2sccc2C1 ZINC000019441481 170802850 /nfs/dbraw/zinc/80/28/50/170802850.db2.gz WLRIHJDLEAUPBR-BXKDBHETSA-N 0 3 252.383 2.006 10 0 CEAEHN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[C@@H](C)N1 ZINC000019474290 170806429 /nfs/dbraw/zinc/80/64/29/170806429.db2.gz QAYSXIZJWVUDLV-DYEKYZERSA-N 0 3 258.365 2.495 10 0 CEAEHN C[C@H]1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)N1 ZINC000019516774 170823194 /nfs/dbraw/zinc/82/31/94/170823194.db2.gz GGQJKXSHBJZDDM-QPUJVOFHSA-N 0 3 254.280 2.434 10 0 CEAEHN CN(C)C[C@H](N[C@@H]1CCSC1)c1ccccc1 ZINC000020129269 171017585 /nfs/dbraw/zinc/01/75/85/171017585.db2.gz KFJIFFBHIWODRB-KGLIPLIRSA-N 0 3 250.411 2.384 10 0 CEAEHN NC[C@@H](c1ccc(Cl)cc1)N1CCC(CO)CC1 ZINC000020179070 171044181 /nfs/dbraw/zinc/04/41/81/171044181.db2.gz KLJQZUKPFXTBKA-AWEZNQCLSA-N 0 3 268.788 2.044 10 0 CEAEHN CN(C)C[C@H](NCc1cccn1C)c1ccccc1 ZINC000020360558 171158636 /nfs/dbraw/zinc/15/86/36/171158636.db2.gz BJUVRTQFGXYBTP-INIZCTEOSA-N 0 3 257.381 2.418 10 0 CEAEHN CCCCNC(=O)[C@@H](C)NCCc1ccc(OC)cc1 ZINC000020364314 171162784 /nfs/dbraw/zinc/16/27/84/171162784.db2.gz NHIDULWZZVJFSW-CYBMUJFWSA-N 0 3 278.396 2.132 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)Oc1ccccc1[C@@H](C)N ZINC000020419372 171184136 /nfs/dbraw/zinc/18/41/36/171184136.db2.gz YRCNLFVXKOOTQG-VXGBXAGGSA-N 0 3 264.369 2.342 10 0 CEAEHN CCn1ncc(CN[C@H]2COc3ccccc3C2)c1C ZINC000020784593 171272423 /nfs/dbraw/zinc/27/24/23/171272423.db2.gz WDIXXPIOQVWQOW-OAHLLOKOSA-N 0 3 271.364 2.305 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccc1CN)N1CCCCCC1 ZINC000022153638 171360553 /nfs/dbraw/zinc/36/05/53/171360553.db2.gz MELDXPPRATWCFB-ZDUSSCGKSA-N 0 3 275.396 2.348 10 0 CEAEHN COc1ccc(NC(=O)COc2ccccc2CN)cc1 ZINC000022176408 171370987 /nfs/dbraw/zinc/37/09/87/171370987.db2.gz LNPVVNWCFVFOMT-UHFFFAOYSA-N 0 3 286.331 2.171 10 0 CEAEHN C[C@@H](NS(=O)(=O)c1cccc(CN)c1)c1ccccc1 ZINC000022177726 171371531 /nfs/dbraw/zinc/37/15/31/171371531.db2.gz GQMSOUYUOHTPRZ-GFCCVEGCSA-N 0 3 290.388 2.185 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cccc(Br)c2)CCO1 ZINC000022221389 171378199 /nfs/dbraw/zinc/37/81/99/171378199.db2.gz RQOUTCPDBZVBPE-GWCFXTLKSA-N 0 3 299.212 2.170 10 0 CEAEHN Clc1cccc(Cl)c1COC[C@H]1CNCCO1 ZINC000034120703 171831762 /nfs/dbraw/zinc/83/17/62/171831762.db2.gz SEDGZYVPKWFBGY-SECBINFHSA-N 0 3 276.163 2.498 10 0 CEAEHN C[C@H]1CCCN(c2nc3sccn3c2CN)C1 ZINC000035429691 172197834 /nfs/dbraw/zinc/19/78/34/172197834.db2.gz FFIJMAADWINTNM-VIFPVBQESA-N 0 3 250.371 2.091 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@H](N)[C@H](c2ccc(F)cc2)C1 ZINC000035571741 172267509 /nfs/dbraw/zinc/26/75/09/172267509.db2.gz IEDYIVQVXJQGQC-STQMWFEESA-N 0 3 280.343 2.487 10 0 CEAEHN COc1ccc(OC)c(CN[C@H]2CCC[C@H](O)C2)c1 ZINC000037166263 173000277 /nfs/dbraw/zinc/00/02/77/173000277.db2.gz LKRYNCMGPUJNBD-STQMWFEESA-N 0 3 265.353 2.097 10 0 CEAEHN CC[C@@H](C)CN(C)CC(=O)Nc1cc(N)ccc1C ZINC000037172324 173005409 /nfs/dbraw/zinc/00/54/09/173005409.db2.gz FEHRHKDOPPSGAK-LLVKDONJSA-N 0 3 263.385 2.494 10 0 CEAEHN COc1ccccc1[C@H](CN)N(C)[C@@H]1CCSC1 ZINC000037174488 173008344 /nfs/dbraw/zinc/00/83/44/173008344.db2.gz JQXUFEJZTNVFQB-YPMHNXCESA-N 0 3 266.410 2.132 10 0 CEAEHN Cc1ccsc1[C@@H](CN)N(C)[C@@H]1CCSC1 ZINC000037174486 173008788 /nfs/dbraw/zinc/00/87/88/173008788.db2.gz VJJHUYQOCGCYRG-GHMZBOCLSA-N 0 3 256.440 2.494 10 0 CEAEHN CC[C@@H](NCCC(N)=O)c1cccc(Br)c1 ZINC000037262062 173071402 /nfs/dbraw/zinc/07/14/02/173071402.db2.gz ONXKFJJUGGDDMB-LLVKDONJSA-N 0 3 285.185 2.365 10 0 CEAEHN CC[C@H](C)CN(C)CC(=O)Nc1ccc(C)c(N)c1 ZINC000037273554 173085778 /nfs/dbraw/zinc/08/57/78/173085778.db2.gz XCLVEQRIQSJTCP-NSHDSACASA-N 0 3 263.385 2.494 10 0 CEAEHN Cc1ccc([C@H](N)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000037308732 173112063 /nfs/dbraw/zinc/11/20/63/173112063.db2.gz QRJJHJZQNLGSBO-AWEZNQCLSA-N 0 3 254.289 2.478 10 0 CEAEHN CC(C)NCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000037385977 173169117 /nfs/dbraw/zinc/16/91/17/173169117.db2.gz MRGHFDFBLMKMNB-UHFFFAOYSA-N 0 3 278.352 2.188 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1cc(C)ccc1OC ZINC000037386314 173169211 /nfs/dbraw/zinc/16/92/11/173169211.db2.gz UGKFRRKSAZSORT-NSHDSACASA-N 0 3 250.342 2.330 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000037386460 173170363 /nfs/dbraw/zinc/17/03/63/173170363.db2.gz PUTSHPSCANNABK-JTQLQIEISA-N 0 3 266.341 2.030 10 0 CEAEHN C[C@H]1Cc2ccccc2N1C(=O)CNC1CCCC1 ZINC000037387049 173170720 /nfs/dbraw/zinc/17/07/20/173170720.db2.gz JUUZRTILQXCLCW-LBPRGKRZSA-N 0 3 258.365 2.496 10 0 CEAEHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CNC(C)C ZINC000037394748 173175223 /nfs/dbraw/zinc/17/52/23/173175223.db2.gz XOIVQGLXORIGKI-LBPRGKRZSA-N 0 3 291.395 2.151 10 0 CEAEHN CCn1c2ccc(C)cc2nc1[C@@H]1C[C@H](OC)CN1 ZINC000037438194 173208528 /nfs/dbraw/zinc/20/85/28/173208528.db2.gz ZGOXRROJKBDULC-AAEUAGOBSA-N 0 3 259.353 2.414 10 0 CEAEHN CCn1c2ccc(C)cc2nc1[C@H]1C[C@@H](OC)CN1 ZINC000037438200 173208941 /nfs/dbraw/zinc/20/89/41/173208941.db2.gz ZGOXRROJKBDULC-DGCLKSJQSA-N 0 3 259.353 2.414 10 0 CEAEHN C[C@H](CN[C@H]1COc2cc(O)ccc21)N1CCCCC1 ZINC000038028605 174017558 /nfs/dbraw/zinc/01/75/58/174017558.db2.gz TZYSAVQNJSUYBR-DOMZBBRYSA-N 0 3 276.380 2.290 10 0 CEAEHN CCNC(=O)c1cc(NC[C@H](C)N2CCCCC2)ccn1 ZINC000038029265 174019820 /nfs/dbraw/zinc/01/98/20/174019820.db2.gz PIFXJYNROOPDJF-ZDUSSCGKSA-N 0 3 290.411 2.118 10 0 CEAEHN CC[C@H](C)N[C@H](C(N)=O)c1ccc(OC(F)F)cc1 ZINC000038065271 174076204 /nfs/dbraw/zinc/07/62/04/174076204.db2.gz RDMSQJKHGTWRIA-KWQFWETISA-N 0 3 272.295 2.203 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(Cl)nc1 ZINC000038103307 174119533 /nfs/dbraw/zinc/11/95/33/174119533.db2.gz OFXFLQKZNJOBRN-GFCCVEGCSA-N 0 3 283.803 2.441 10 0 CEAEHN CSCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000040467927 174276050 /nfs/dbraw/zinc/27/60/50/174276050.db2.gz XFFOIZBJGVPIBJ-NWDGAFQWSA-N 0 3 284.450 2.492 10 0 CEAEHN COC(=O)[C@@H](C)CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491089 174292579 /nfs/dbraw/zinc/29/25/79/174292579.db2.gz DMLJCVOWYICAMH-QWRGUYRKSA-N 0 3 281.352 2.164 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2cc(N)ccc2Cl)C1 ZINC000040501634 174298536 /nfs/dbraw/zinc/29/85/36/174298536.db2.gz NVISTZRYWPNJKI-LLVKDONJSA-N 0 3 281.787 2.136 10 0 CEAEHN COC(=O)[C@H](C)CN[C@@H](C)c1sc(C)nc1C ZINC000040518633 174308239 /nfs/dbraw/zinc/30/82/39/174308239.db2.gz SJIZRMPGQFLILX-SFYZADRCSA-N 0 3 256.371 2.220 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)NCc1cc2c(s1)CCC2 ZINC000040627904 174356952 /nfs/dbraw/zinc/35/69/52/174356952.db2.gz XXXMXXYDBDJRCH-ZANVPECISA-N 0 3 266.410 2.226 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000040632976 174359364 /nfs/dbraw/zinc/35/93/64/174359364.db2.gz RKTAQBCJBVYQHT-NEPJUHHUSA-N 0 3 276.361 2.217 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc(-c3cc(F)ccc3F)c[nH]2)C1 ZINC000040637687 174361926 /nfs/dbraw/zinc/36/19/26/174361926.db2.gz OPOYRNCUJVZWEG-BXKDBHETSA-N 0 3 279.290 2.404 10 0 CEAEHN Cn1ccnc1CCNCc1ccc(Br)o1 ZINC000040638623 174362947 /nfs/dbraw/zinc/36/29/47/174362947.db2.gz KOLGLCKDQOWDHX-UHFFFAOYSA-N 0 3 284.157 2.108 10 0 CEAEHN Cc1cn2c(CNCCc3nccn3C)c(C)nc2s1 ZINC000040639076 174363031 /nfs/dbraw/zinc/36/30/31/174363031.db2.gz PSZRXMKIVWXKPA-UHFFFAOYSA-N 0 3 289.408 2.078 10 0 CEAEHN COc1ccc2c(c1)[C@H](NCCc1nccn1C)CCO2 ZINC000040639311 174363656 /nfs/dbraw/zinc/36/36/56/174363656.db2.gz UGTDWKKEHKZEAQ-CQSZACIVSA-N 0 3 287.363 2.085 10 0 CEAEHN CN1CCC[C@@H](NCc2cc3c(c(Cl)c2)OCO3)C1 ZINC000040672650 174370178 /nfs/dbraw/zinc/37/01/78/174370178.db2.gz DATSPXRDCSSMEY-LLVKDONJSA-N 0 3 282.771 2.253 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2cccc(OC)c2)CC1 ZINC000040689115 174376042 /nfs/dbraw/zinc/37/60/42/174376042.db2.gz IVCGNCDZQWCUJE-INIZCTEOSA-N 0 3 278.396 2.196 10 0 CEAEHN CCOC1CCN([C@H](CN)c2ccsc2)CC1 ZINC000040689124 174376068 /nfs/dbraw/zinc/37/60/68/174376068.db2.gz DPNVAQWFVDKRCV-CYBMUJFWSA-N 0 3 254.399 2.249 10 0 CEAEHN C[C@H]1C[C@H](C(=O)N[C@@H]2CCCN(C)C2)c2ccccc2N1 ZINC000040716165 174383580 /nfs/dbraw/zinc/38/35/80/174383580.db2.gz QDFBSUZOWGKCKO-GUTXKFCHSA-N 0 3 287.407 2.185 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccc3c(c2)CCC3)nn1 ZINC000070502097 414771145 /nfs/dbraw/zinc/77/11/45/414771145.db2.gz PDFJIIZXKZOQCJ-UHFFFAOYSA-N 0 3 256.353 2.009 10 0 CEAEHN NC1(c2nc(-c3n[nH]c(C4CCCC4)n3)c[nH]2)CCC1 ZINC000041161558 174503175 /nfs/dbraw/zinc/50/31/75/174503175.db2.gz PBGFFWZMUSLEPU-UHFFFAOYSA-N 0 3 272.356 2.190 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400141686 414747511 /nfs/dbraw/zinc/74/75/11/414747511.db2.gz IGRQEJJPPSOMHL-NWINJMCUSA-N 0 3 252.402 2.302 10 0 CEAEHN Cc1cccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)c1F ZINC000662982029 414818090 /nfs/dbraw/zinc/81/80/90/414818090.db2.gz XBLRZCJWKHZYQL-VIFPVBQESA-N 0 3 278.249 2.096 10 0 CEAEHN CN1C[C@H](CNCc2ccc(Cl)cc2F)CC1=O ZINC000657696096 415050721 /nfs/dbraw/zinc/05/07/21/415050721.db2.gz RYUWDJXBUYYIAY-VIFPVBQESA-N 0 3 270.735 2.047 10 0 CEAEHN OCC1CC(NCc2cccc(OC(F)(F)F)c2)C1 ZINC000657812088 415090005 /nfs/dbraw/zinc/09/00/05/415090005.db2.gz GFSLBVRGVYAMDR-UHFFFAOYSA-N 0 3 275.270 2.446 10 0 CEAEHN CCN(CC)C(=O)CN(C)[C@@H](c1sccc1C)[C@@H](C)N ZINC000043248590 174993385 /nfs/dbraw/zinc/99/33/85/174993385.db2.gz CFBSUCZGXGXQHN-TZMCWYRMSA-N 0 3 297.468 2.245 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301177 175002136 /nfs/dbraw/zinc/00/21/36/175002136.db2.gz VVDCHLJIVUSFNB-GXTWGEPZSA-N 0 3 285.384 2.301 10 0 CEAEHN COc1ccc([O-])c(C(=O)N(CCC[NH3+])C2CCCC2)c1 ZINC000043327683 175009195 /nfs/dbraw/zinc/00/91/95/175009195.db2.gz BEUOPOZDPAHFOQ-UHFFFAOYSA-N 0 3 292.379 2.134 10 0 CEAEHN NC[C@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000043336622 175012638 /nfs/dbraw/zinc/01/26/38/175012638.db2.gz BEHOZRBGFPWDPN-AWEZNQCLSA-N 0 3 272.304 2.243 10 0 CEAEHN CC(=O)Nc1ccccc1O[C@H](CN)c1cccnc1 ZINC000043349939 175019256 /nfs/dbraw/zinc/01/92/56/175019256.db2.gz OCMKTGAXWSZQAG-OAHLLOKOSA-N 0 3 271.320 2.119 10 0 CEAEHN Cc1ccc([C@H]([C@@H](C)N)N2CCOC(C)(C)C2)o1 ZINC000043364451 175025824 /nfs/dbraw/zinc/02/58/24/175025824.db2.gz NDMHGJIUTUKQNT-YPMHNXCESA-N 0 3 252.358 2.087 10 0 CEAEHN Cc1ccc([C@@H]([C@@H](C)N)N2CCOC(C)(C)C2)o1 ZINC000043364450 175025845 /nfs/dbraw/zinc/02/58/45/175025845.db2.gz NDMHGJIUTUKQNT-DGCLKSJQSA-N 0 3 252.358 2.087 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N1C[C@@H](C)O[C@@H](C)C1 ZINC000043811560 175111016 /nfs/dbraw/zinc/11/10/16/175111016.db2.gz HJUBLTTUBHVXSX-CXUGXGMPSA-N 0 3 290.407 2.207 10 0 CEAEHN CN[C@H](CN(C)C1CC1)c1cc(OC)ccc1OC ZINC000043822651 175114774 /nfs/dbraw/zinc/11/47/74/175114774.db2.gz BFIPTRGJGDYVLW-CQSZACIVSA-N 0 3 264.369 2.059 10 0 CEAEHN CN[C@H](CN(C)Cc1ccncc1)c1ccc(OC)cc1 ZINC000043893856 175118404 /nfs/dbraw/zinc/11/84/04/175118404.db2.gz WKKWJFRKVFJXJW-QGZVFWFLSA-N 0 3 285.391 2.483 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N(C)[C@@H](C)C1CC1 ZINC000043894803 175119198 /nfs/dbraw/zinc/11/91/98/175119198.db2.gz GEHVVWOLBPXLKS-PEYYIBSZSA-N 0 3 260.381 2.438 10 0 CEAEHN CCN[C@H](CN(C)CCOC)c1cc(C)ccc1OC ZINC000043916002 175125081 /nfs/dbraw/zinc/12/50/81/175125081.db2.gz PVXKQAOGEFTYFW-OAHLLOKOSA-N 0 3 280.412 2.232 10 0 CEAEHN CN[C@H](CN1CCOCC1(C)C)c1cc(C)ccc1OC ZINC000043916787 175125440 /nfs/dbraw/zinc/12/54/40/175125440.db2.gz VUSFURPJDPPTHW-OAHLLOKOSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N(CC)CCOC ZINC000043968703 175129425 /nfs/dbraw/zinc/12/94/25/175129425.db2.gz LZOIUMZTSKXZFN-GDBMZVCRSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOc1ccccc1[C@H](CN(CC)CCOC)NC ZINC000043968539 175129561 /nfs/dbraw/zinc/12/95/61/175129561.db2.gz SOGFMRATIKLXKG-HNNXBMFYSA-N 0 3 280.412 2.314 10 0 CEAEHN CCN[C@H](CN(C)[C@@H](C)COC)c1ccc2c(c1)OCO2 ZINC000043969216 175130439 /nfs/dbraw/zinc/13/04/39/175130439.db2.gz YWNATQJCDWWEIM-GXTWGEPZSA-N 0 3 294.395 2.033 10 0 CEAEHN CC(C)[C@@H](C)N(C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044801996 175255813 /nfs/dbraw/zinc/25/58/13/175255813.db2.gz VUFYFWTTYVLUGK-HIFRSBDPSA-N 0 3 262.397 2.307 10 0 CEAEHN CCC(CC)(C(N)=S)C(=O)NC[C@H](C)N1CCCCC1 ZINC000045009322 175289601 /nfs/dbraw/zinc/28/96/01/175289601.db2.gz MILKWWUKZUBKJI-LBPRGKRZSA-N 0 3 299.484 2.070 10 0 CEAEHN CC[C@@H](NC)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138181 175314469 /nfs/dbraw/zinc/31/44/69/175314469.db2.gz SJTDSYQBEAIXJS-KGLIPLIRSA-N 0 3 296.436 2.434 10 0 CEAEHN CCN[C@H](C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138157 175314621 /nfs/dbraw/zinc/31/46/21/175314621.db2.gz OOXLYFUQYPMFPF-RISCZKNCSA-N 0 3 296.436 2.434 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCC(=O)N2CCCC2)c1C ZINC000045168269 175319626 /nfs/dbraw/zinc/31/96/26/175319626.db2.gz HBWWCOYMMJNLFT-LBPRGKRZSA-N 0 3 292.427 2.183 10 0 CEAEHN CCCCN(CC)C[C@@](C)(NCCC)C(=O)OC ZINC000045223299 175331497 /nfs/dbraw/zinc/33/14/97/175331497.db2.gz ZXUOABAQZGPQHB-CQSZACIVSA-N 0 3 258.406 2.040 10 0 CEAEHN CCCN[C@](C)(CCN1CCC(C)CC1)C(=O)OCC ZINC000045225566 175332796 /nfs/dbraw/zinc/33/27/96/175332796.db2.gz RFMQHGRBVNYSQK-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN COC(=O)[C@](C)(CCN1CCC[C@@H](C)C1)NC(C)C ZINC000045228595 175334005 /nfs/dbraw/zinc/33/40/05/175334005.db2.gz CTZNYEAJVLWCNV-HIFRSBDPSA-N 0 3 270.417 2.038 10 0 CEAEHN CCOC(=O)[C@@](N)(CN1CCCCCC1)c1ccccc1 ZINC000045228664 175334347 /nfs/dbraw/zinc/33/43/47/175334347.db2.gz NFXRAOZIWKWNRS-QGZVFWFLSA-N 0 3 290.407 2.280 10 0 CEAEHN COC(=O)[C@@](N)(CN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000045231650 175335638 /nfs/dbraw/zinc/33/56/38/175335638.db2.gz SBNLHTDPTIEZRX-GRDNDAEWSA-N 0 3 290.407 2.277 10 0 CEAEHN CCN(CC(C)C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045264048 175337784 /nfs/dbraw/zinc/33/77/84/175337784.db2.gz ZCNAPZDQUIHMIB-QGZVFWFLSA-N 0 3 292.423 2.252 10 0 CEAEHN CCOC(=O)[C@](CN(CC)C(C)C)(NC)c1ccccc1 ZINC000045265390 175338593 /nfs/dbraw/zinc/33/85/93/175338593.db2.gz NDMPEEMMUADAIT-QGZVFWFLSA-N 0 3 292.423 2.395 10 0 CEAEHN CN[C@@](CN(C)C1CCCC1)(C(=O)OC)c1ccccc1 ZINC000045266073 175339368 /nfs/dbraw/zinc/33/93/68/175339368.db2.gz KJFRSSRFYCWFOE-QGZVFWFLSA-N 0 3 290.407 2.149 10 0 CEAEHN CCCN(C[C@@](NC)(C(=O)OC)c1ccccc1)C1CC1 ZINC000045267791 175339726 /nfs/dbraw/zinc/33/97/26/175339726.db2.gz NYAKXSHYYWOQLO-KRWDZBQOSA-N 0 3 290.407 2.149 10 0 CEAEHN CCCCN(C[C@](C)(NCCC)C(=O)OC)C1CC1 ZINC000045276252 175346395 /nfs/dbraw/zinc/34/63/95/175346395.db2.gz BKHNREHJVJDPBY-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCCN(CC[C@@](C)([NH2+]CCC)C(=O)[O-])C1CC1 ZINC000045276308 175346885 /nfs/dbraw/zinc/34/68/85/175346885.db2.gz QCCPJDHTDJYEGU-OAHLLOKOSA-N 0 3 270.417 2.484 10 0 CEAEHN CC(C)C[N@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C1CC1 ZINC000045277536 175347622 /nfs/dbraw/zinc/34/76/22/175347622.db2.gz YCZRWLRXOAEXAQ-HNNXBMFYSA-N 0 3 268.401 2.092 10 0 CEAEHN CC(C)C[N@@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C1CC1 ZINC000045277536 175347623 /nfs/dbraw/zinc/34/76/23/175347623.db2.gz YCZRWLRXOAEXAQ-HNNXBMFYSA-N 0 3 268.401 2.092 10 0 CEAEHN CC(C)CN(CC[C@](C)([NH2+]C1CC1)C(=O)[O-])C1CC1 ZINC000045277536 175347624 /nfs/dbraw/zinc/34/76/24/175347624.db2.gz YCZRWLRXOAEXAQ-HNNXBMFYSA-N 0 3 268.401 2.092 10 0 CEAEHN CCCN[C@@](C)(CN(C)[C@@H](C)CC(C)C)C(=O)OC ZINC000045279956 175350161 /nfs/dbraw/zinc/35/01/61/175350161.db2.gz XEVSUMSTTNMBCU-ZFWWWQNUSA-N 0 3 272.433 2.284 10 0 CEAEHN CCN(CCCC[C@@](C)(N)C(N)=O)c1cccc(C)c1 ZINC000045420040 175378561 /nfs/dbraw/zinc/37/85/61/175378561.db2.gz MRZUBDONKULHDQ-MRXNPFEDSA-N 0 3 277.412 2.194 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)[C@H]1CCc2ccccc2N1 ZINC000049186141 175467846 /nfs/dbraw/zinc/46/78/46/175467846.db2.gz KUDDUJHVCOXKGL-CZUORRHYSA-N 0 3 287.407 2.014 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000070824604 176007860 /nfs/dbraw/zinc/00/78/60/176007860.db2.gz JTMMOFRMUFNJSL-KOLCDFICSA-N 0 3 259.136 2.272 10 0 CEAEHN N[C@H]1CCC(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000070824504 176008188 /nfs/dbraw/zinc/00/81/88/176008188.db2.gz ZYWUOOHXBIRLEQ-KWQFWETISA-N 0 3 259.136 2.272 10 0 CEAEHN CC(C)N1C(=O)CC[C@H](N)[C@@H]1c1cccc(F)c1 ZINC000070987011 176018295 /nfs/dbraw/zinc/01/82/95/176018295.db2.gz UVFXPDNQEXEJIK-JSGCOSHPSA-N 0 3 250.317 2.225 10 0 CEAEHN Cc1ccsc1[C@@H]1[C@H](N)CCC(=O)N1C1CC1 ZINC000070987137 176018648 /nfs/dbraw/zinc/01/86/48/176018648.db2.gz CVTHJJQLGDCGAN-PWSUYJOCSA-N 0 3 250.367 2.210 10 0 CEAEHN Cc1ccc(NC[C@H](O)CN(C)C)cc1Br ZINC000070993966 176020112 /nfs/dbraw/zinc/02/01/12/176020112.db2.gz GWXZPJYTVWOYCJ-NSHDSACASA-N 0 3 287.201 2.092 10 0 CEAEHN CN[C@H]1CCCN(c2nc(C(C)(C)C)cs2)C1=O ZINC000071034795 176024548 /nfs/dbraw/zinc/02/45/48/176024548.db2.gz KHYHJWIQZMHFBL-VIFPVBQESA-N 0 3 267.398 2.155 10 0 CEAEHN CCOc1cccc(N2CC[C@H](NC(C)C)C2=O)c1 ZINC000071036724 176025732 /nfs/dbraw/zinc/02/57/32/176025732.db2.gz BBWVHISBDSRELD-AWEZNQCLSA-N 0 3 262.353 2.189 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1CCc1ccc(F)cc1 ZINC000071038171 176027214 /nfs/dbraw/zinc/02/72/14/176027214.db2.gz JSVKXSSWQHMSJH-OAHLLOKOSA-N 0 3 276.355 2.111 10 0 CEAEHN CCN[C@H]1CCCN(c2ccc(F)c(C)c2)C1=O ZINC000071042696 176028709 /nfs/dbraw/zinc/02/87/09/176028709.db2.gz PZPLQFTVTWCOOZ-ZDUSSCGKSA-N 0 3 250.317 2.239 10 0 CEAEHN CC(C)N[C@H]1CCN(c2cnc3ccccc3c2)C1=O ZINC000071042706 176028723 /nfs/dbraw/zinc/02/87/23/176028723.db2.gz YQXXTKOEVMHPFV-HNNXBMFYSA-N 0 3 269.348 2.338 10 0 CEAEHN CN[C@@H](C)c1cnn(C[C@H]2OCCc3ccccc32)c1 ZINC000071098981 176032550 /nfs/dbraw/zinc/03/25/50/176032550.db2.gz TXPNDZMTNOZIHP-BLLLJJGKSA-N 0 3 271.364 2.478 10 0 CEAEHN CC[C@H]1CCC[C@@H](OC[C@](NC2CC2)(C(N)=O)C2CC2)C1 ZINC000071134043 176035858 /nfs/dbraw/zinc/03/58/58/176035858.db2.gz UZLDSQUEGUTOCY-XGWLTEMNSA-N 0 3 294.439 2.358 10 0 CEAEHN C[C@@H]1CCC[C@@H](N(CC(N)=O)Cc2cccc(N)c2)C1 ZINC000071150524 176045334 /nfs/dbraw/zinc/04/53/34/176045334.db2.gz LNCJUSDLAQFNAT-IUODEOHRSA-N 0 3 275.396 2.135 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1O[C@H]1CCN(C)C1=O ZINC000071182995 176058091 /nfs/dbraw/zinc/05/80/91/176058091.db2.gz DRFATIAQKVQTHL-DOMZBBRYSA-N 0 3 276.380 2.275 10 0 CEAEHN CCCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071244489 176094711 /nfs/dbraw/zinc/09/47/11/176094711.db2.gz UAZCXFKESLPVNC-SNVBAGLBSA-N 0 3 288.388 2.141 10 0 CEAEHN COc1cccc(C2CC(NCc3nccn3C)C2)c1 ZINC000071273225 176105057 /nfs/dbraw/zinc/10/50/57/176105057.db2.gz DLNHEKASIZRKIG-UHFFFAOYSA-N 0 3 271.364 2.465 10 0 CEAEHN c1cc(CNC2=NC[C@@H](C3CC3)S2)cc2c1OCO2 ZINC000071308079 176116249 /nfs/dbraw/zinc/11/62/49/176116249.db2.gz UVDHZVQKDCCQRL-ZDUSSCGKSA-N 0 3 276.361 2.386 10 0 CEAEHN CN(C)CCOc1ccc(CO)cc1C(F)(F)F ZINC000071399289 176152034 /nfs/dbraw/zinc/15/20/34/176152034.db2.gz GTOBBADLDPNXGZ-UHFFFAOYSA-N 0 3 263.259 2.138 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)Oc1ccc(C)cc1CN ZINC000071403398 176154794 /nfs/dbraw/zinc/15/47/94/176154794.db2.gz HPPASEOIZNEYEL-GFCCVEGCSA-N 0 3 264.369 2.089 10 0 CEAEHN N[C@H](CO)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000072199232 176339783 /nfs/dbraw/zinc/33/97/83/176339783.db2.gz IEIILWIPBWKNIJ-SSDOTTSWSA-N 0 3 255.623 2.231 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCO[C@H]1CC1(F)F ZINC000659996166 415835886 /nfs/dbraw/zinc/83/58/86/415835886.db2.gz YGGRQJIWFMWAHJ-MCIONIFRSA-N 0 3 288.382 2.359 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662716498 415942397 /nfs/dbraw/zinc/94/23/97/415942397.db2.gz UKYHZOHYKSZLRX-FPMFFAJLSA-N 0 3 252.402 2.399 10 0 CEAEHN COc1cc([C@@H](CN)N(C)C(C)C)c(OC)cc1C ZINC000076375189 177010790 /nfs/dbraw/zinc/01/07/90/177010790.db2.gz GPIZKHKKSJZHRV-CYBMUJFWSA-N 0 3 266.385 2.352 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC(C)(C)C ZINC000076552234 177037264 /nfs/dbraw/zinc/03/72/64/177037264.db2.gz MDKCAEMNZGJLGI-LBPRGKRZSA-N 0 3 257.422 2.308 10 0 CEAEHN Cc1ncc(N[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000076722859 177070454 /nfs/dbraw/zinc/07/04/54/177070454.db2.gz ZZPPYLIFMCIUTC-OAHLLOKOSA-N 0 3 268.364 2.471 10 0 CEAEHN C[C@H](CN1CCCCC1)C(=O)c1ccc(CO)cc1 ZINC000077293515 177250102 /nfs/dbraw/zinc/25/01/02/177250102.db2.gz MBFHFUBFALKDKH-CYBMUJFWSA-N 0 3 261.365 2.484 10 0 in-vitro CEAEHN C[C@]1(C(=O)N2CCC3(CC3(F)F)CC2)CCCCN1 ZINC000405108570 419402185 /nfs/dbraw/zinc/40/21/85/419402185.db2.gz MGGQFTWMPJPDRZ-GFCCVEGCSA-N 0 3 272.339 2.166 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000136187228 419441748 /nfs/dbraw/zinc/44/17/48/419441748.db2.gz ZACCRUDDBHCTBZ-OTYXRUKQSA-N 0 3 265.357 2.001 10 0 CEAEHN [NH3+]Cc1c(Br)cc([O-])cc1Br ZINC000299889992 419473714 /nfs/dbraw/zinc/47/37/14/419473714.db2.gz SCHXLQWFKIJXGK-UHFFFAOYSA-N 0 3 280.947 2.376 10 0 CEAEHN CCN1CC[C@H](NCc2nc3c(s2)CCCC3)C1 ZINC000666466472 419682045 /nfs/dbraw/zinc/68/20/45/419682045.db2.gz FIGXKPQJFDNXDP-NSHDSACASA-N 0 3 265.426 2.206 10 0 CEAEHN C[C@@H](COCc1ccccc1)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000390728019 262247101 /nfs/dbraw/zinc/24/71/01/262247101.db2.gz SXJMFUVSIORVMF-IJEWVQPXSA-N 0 3 290.407 2.096 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000194311199 270296602 /nfs/dbraw/zinc/29/66/02/270296602.db2.gz AUEPNRXTXMMRGK-CQSZACIVSA-N 0 3 293.386 2.418 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@H](C)c2cccnc2)C1 ZINC000250032091 270328049 /nfs/dbraw/zinc/32/80/49/270328049.db2.gz DVTIPZMGDJBIAY-UKRRQHHQSA-N 0 3 290.411 2.268 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ncccc1C ZINC000177024792 276180664 /nfs/dbraw/zinc/18/06/64/276180664.db2.gz XMWDVUAJGLDNEO-ZDUSSCGKSA-N 0 3 276.384 2.338 10 0 CEAEHN CC[C@@H](NCCn1cc(C)cn1)c1ccc(F)cn1 ZINC000226611675 276436380 /nfs/dbraw/zinc/43/63/80/276436380.db2.gz RFBGXLDQKVECIA-CYBMUJFWSA-N 0 3 262.332 2.467 10 0 CEAEHN CN1c2ccccc2[C@H](NC[C@]2(C)CCCO2)CC1=O ZINC000094796888 276992764 /nfs/dbraw/zinc/99/27/64/276992764.db2.gz BSAJPVDQTKSVOI-CJNGLKHVSA-N 0 3 274.364 2.253 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCn1ccnc1 ZINC000245874159 277105567 /nfs/dbraw/zinc/10/55/67/277105567.db2.gz LXOTVEZEZVELPZ-ZNMIVQPWSA-N 0 3 291.395 2.079 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H]1CCCCO1 ZINC000249716382 277105621 /nfs/dbraw/zinc/10/56/21/277105621.db2.gz ITLRVVONLBXLPJ-XGUBFFRZSA-N 0 3 281.396 2.362 10 0 CEAEHN CN1c2ccccc2[C@@H](NC[C@H]2CCCOC2)CC1=O ZINC000038045125 277218005 /nfs/dbraw/zinc/21/80/05/277218005.db2.gz NXACLEVZNZXGSL-OCCSQVGLSA-N 0 3 274.364 2.110 10 0 CEAEHN CN[C@@H]1c2ccccc2N(C(=O)OC(C)(C)C)C[C@H]1O ZINC000034418957 277296471 /nfs/dbraw/zinc/29/64/71/277296471.db2.gz XMFDTGLPASMKMA-CHWSQXEVSA-N 0 3 278.352 2.063 10 0 CEAEHN CC(C)(C(=O)N1CCN2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000171587137 278264301 /nfs/dbraw/zinc/26/43/01/278264301.db2.gz XMXZUNIYKZPTBK-OAHLLOKOSA-N 0 3 290.382 2.410 10 0 CEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1ccc(F)cn1 ZINC000092751288 278270629 /nfs/dbraw/zinc/27/06/29/278270629.db2.gz VLWPTGQMPXMCEE-MISXGVKJSA-N 0 3 252.333 2.422 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1cc(F)cc(F)c1 ZINC000180602334 278376249 /nfs/dbraw/zinc/37/62/49/278376249.db2.gz DLKRYBPDCKNOMY-NOZJJQNGSA-N 0 3 278.306 2.222 10 0 CEAEHN Cc1ccc2c(c1)OCCC[C@@H]2NC[C@@H]1CN(C)CCO1 ZINC000180495631 278880508 /nfs/dbraw/zinc/88/05/08/278880508.db2.gz CCNLBRBOQNWMMC-ZBFHGGJFSA-N 0 3 290.407 2.129 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000263524253 279059740 /nfs/dbraw/zinc/05/97/40/279059740.db2.gz SNRSGZRAJBCBOL-APSKQVOWSA-N 0 3 282.428 2.338 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000263530547 279059793 /nfs/dbraw/zinc/05/97/93/279059793.db2.gz WGHHQDCKIIWHEA-MMFDQKDXSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(C)CC1 ZINC000079495928 279123108 /nfs/dbraw/zinc/12/31/08/279123108.db2.gz CWYNZDALRCFOOW-CQSZACIVSA-N 0 3 269.433 2.404 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1NC ZINC000092634066 279301032 /nfs/dbraw/zinc/30/10/32/279301032.db2.gz ZSGSFRQIDQVGIY-CYBMUJFWSA-N 0 3 275.396 2.285 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1 ZINC000044858248 279602243 /nfs/dbraw/zinc/60/22/43/279602243.db2.gz XVSJHNRNNMOLJN-MRXNPFEDSA-N 0 3 298.390 2.320 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000245716524 280257927 /nfs/dbraw/zinc/25/79/27/280257927.db2.gz UENKAHDZUFMIIC-UMVBOHGHSA-N 0 3 299.459 2.218 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245716529 280257933 /nfs/dbraw/zinc/25/79/33/280257933.db2.gz UENKAHDZUFMIIC-XGUBFFRZSA-N 0 3 299.459 2.218 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1scnc1C1CC1 ZINC000245854896 280262462 /nfs/dbraw/zinc/26/24/62/280262462.db2.gz JXNZFTJRGZFAQZ-JQWIXIFHSA-N 0 3 291.420 2.329 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000245919187 280266256 /nfs/dbraw/zinc/26/62/56/280266256.db2.gz NOFMCDJKHDGRLF-LXTVHRRPSA-N 0 3 281.444 2.403 10 0 CEAEHN CSC[C@@H]1CCCN1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246602386 280303076 /nfs/dbraw/zinc/30/30/76/280303076.db2.gz DDPNPNFLTGYDEQ-MELADBBJSA-N 0 3 299.484 2.252 10 0 CEAEHN O=S1(=O)CC(CCN2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000336427310 280342176 /nfs/dbraw/zinc/34/21/76/280342176.db2.gz NICCKRNERAYEEO-KGLIPLIRSA-N 0 3 271.426 2.076 10 0 CEAEHN CCCCOC[C@H](O)CN(C)[C@H](C)c1cccnc1 ZINC000248655648 280357759 /nfs/dbraw/zinc/35/77/59/280357759.db2.gz QQANICQEUZYOJJ-UKRRQHHQSA-N 0 3 266.385 2.252 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000249131334 280385829 /nfs/dbraw/zinc/38/58/29/280385829.db2.gz FDKRHKCIIYAFKM-UONOGXRCSA-N 0 3 297.443 2.070 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCOC1CCC1 ZINC000376535250 288298403 /nfs/dbraw/zinc/29/84/03/288298403.db2.gz YHZONMZMGSOQBT-KGLIPLIRSA-N 0 3 252.402 2.114 10 0 CEAEHN Cc1cccc(N2CCN(CC(C)(C)O)CC2)c1C ZINC000057899495 281228090 /nfs/dbraw/zinc/22/80/90/281228090.db2.gz HTGVTDJGSMMATJ-UHFFFAOYSA-N 0 3 262.397 2.196 10 0 CEAEHN CC(=O)N[C@H]1CCCN(Cc2sccc2C)C1 ZINC000153901544 289127017 /nfs/dbraw/zinc/12/70/17/289127017.db2.gz KSFDJMQLNAKEFX-LBPRGKRZSA-N 0 3 252.383 2.157 10 0 CEAEHN Cc1sc2ncnc(N3CCNC[C@H]3C)c2c1C ZINC000054374905 294089605 /nfs/dbraw/zinc/08/96/05/294089605.db2.gz BSDZDRMLSZOUHF-MRVPVSSYSA-N 0 3 262.382 2.106 10 0 CEAEHN NC[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000061610872 295261275 /nfs/dbraw/zinc/26/12/75/295261275.db2.gz MSOCTVVILZQADI-HNNXBMFYSA-N 0 3 266.344 2.318 10 0 CEAEHN Cc1ccccc1C1(C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000171567224 302086358 /nfs/dbraw/zinc/08/63/58/302086358.db2.gz FRXWMFQQVJSUOA-OAHLLOKOSA-N 0 3 284.403 2.333 10 0 CEAEHN CC(C)O[C@@H]1CCN(C[C@H](O)COCc2ccccc2)C1 ZINC000515837768 313077009 /nfs/dbraw/zinc/07/70/09/313077009.db2.gz BTTNIMXWTMBCOY-DLBZAZTESA-N 0 3 293.407 2.063 10 0 CEAEHN CC(C)(C)OC(=O)Nc1ccc(N2CCNCC2)c(N)c1 ZINC000536954584 330382870 /nfs/dbraw/zinc/38/28/70/330382870.db2.gz ONWZDIGUYBDLMX-UHFFFAOYSA-N 0 3 292.383 2.025 10 0 CEAEHN CCOCc1cc([C@@H](O)C[NH2+]C(C)(C)C)ccc1[O-] ZINC000169330066 333180537 /nfs/dbraw/zinc/18/05/37/333180537.db2.gz TXFGJJYAMPXTIJ-AWEZNQCLSA-N 0 3 267.369 2.350 10 0 CEAEHN COC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)F ZINC000399771083 333249191 /nfs/dbraw/zinc/24/91/91/333249191.db2.gz ZRQLHUBZNNNCEJ-NEPJUHHUSA-N 0 3 269.291 2.173 10 0 CEAEHN CCNCc1cnn([C@H]2CCCCC[C@@H]2O)c1C ZINC000054600496 520017553 /nfs/dbraw/zinc/01/75/53/520017553.db2.gz GLKDJPPJGSBCPT-KBPBESRZSA-N 0 3 251.374 2.167 10 0 CEAEHN CCCN[C@@](C)(CSc1cc(F)ccc1F)C(N)=O ZINC000045591058 520038064 /nfs/dbraw/zinc/03/80/64/520038064.db2.gz WANYHXYLLLJMDW-ZDUSSCGKSA-N 0 3 288.363 2.301 10 0 CEAEHN CCCN[C@H](CC[N@H+](CC)C1CCCC1)C(=O)[O-] ZINC000062448516 520070993 /nfs/dbraw/zinc/07/09/93/520070993.db2.gz YCIGCRGIRAWZLU-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@H](CC[N@@H+](CC)C1CCCC1)C(=O)[O-] ZINC000062448516 520070998 /nfs/dbraw/zinc/07/09/98/520070998.db2.gz YCIGCRGIRAWZLU-CYBMUJFWSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@H](Cc1cccc(OC)c1)c1ccnn1C ZINC000069467578 520104515 /nfs/dbraw/zinc/10/45/15/520104515.db2.gz BSAVBCHKWRADQL-AWEZNQCLSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@H](CN(C)CC1CCCCC1)C(=O)OCC ZINC000045428606 520196084 /nfs/dbraw/zinc/19/60/84/520196084.db2.gz UACBZQLJDFJQHR-CQSZACIVSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@H](c1ccc(CC)s1)[C@H]1COCCO1 ZINC000055299859 520208262 /nfs/dbraw/zinc/20/82/62/520208262.db2.gz UWYANTSKBGAFJP-YPMHNXCESA-N 0 3 255.383 2.377 10 0 CEAEHN CCN(CC)CCN[C@@]1(C(=O)OC)CCC[C@@H](C)[C@@H]1C ZINC000068631311 520690646 /nfs/dbraw/zinc/69/06/46/520690646.db2.gz ADADNRLLUZAXJO-YCPHGPKFSA-N 0 3 284.444 2.286 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H]1CCOc2c(F)cccc21)N(C)C ZINC000189021731 500668828 /nfs/dbraw/zinc/66/88/28/500668828.db2.gz FSECNEBMNOBOEV-KBPBESRZSA-N 0 3 294.370 2.496 10 0 CEAEHN CCOC(=O)[C@@](CN(C)CC(C)C)(NC1CC1)C1CC1 ZINC000069096606 521163887 /nfs/dbraw/zinc/16/38/87/521163887.db2.gz PAHFNHCEVXKZPQ-INIZCTEOSA-N 0 3 282.428 2.038 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(N)c1 ZINC000061641664 521863294 /nfs/dbraw/zinc/86/32/94/521863294.db2.gz NXWPTZUDAKSRGP-LLVKDONJSA-N 0 3 281.787 2.088 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1nc(C2CC2)c(CO)s1 ZINC000069183235 521875360 /nfs/dbraw/zinc/87/53/60/521875360.db2.gz MNMQGMZOBAZDIA-LLVKDONJSA-N 0 3 281.425 2.043 10 0 CEAEHN COC(=O)c1cc(CN[C@@H](C)[C@@H]2CCCO2)cs1 ZINC000411537997 533824305 /nfs/dbraw/zinc/82/43/05/533824305.db2.gz SSLFNEXXHHWQRS-ONGXEEELSA-N 0 3 269.366 2.192 10 0 CEAEHN COc1cc(F)c([C@@H](N)[C@@H]2CCCCO2)cc1OC ZINC000061560336 522584467 /nfs/dbraw/zinc/58/44/67/522584467.db2.gz RKTGUYYMOSAZSE-SMDDNHRTSA-N 0 3 269.316 2.412 10 0 CEAEHN CC(C)(C)N1C(=O)C[C@@H](N)[C@H]1c1ccccc1F ZINC000062210089 517376247 /nfs/dbraw/zinc/37/62/47/517376247.db2.gz DONVXPVQTFYDQS-DGCLKSJQSA-N 0 3 250.317 2.225 10 0 CEAEHN C(NC1=NC2(CS1)CCCCC2)[C@H]1CCOC1 ZINC000061147026 518396046 /nfs/dbraw/zinc/39/60/46/518396046.db2.gz ZJNCJHAYNZRVML-LLVKDONJSA-N 0 3 254.399 2.418 10 0 CEAEHN CC(C)C[C@H](C)OC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069196507 519323817 /nfs/dbraw/zinc/32/38/17/519323817.db2.gz HFKCSWBXHHQJLL-SWLSCSKDSA-N 0 3 270.417 2.070 10 0 CEAEHN CC(C)CN(C(=O)c1c[nH]c(=NN)c(Cl)c1)C1CC1 ZINC000051113741 519707521 /nfs/dbraw/zinc/70/75/21/519707521.db2.gz VGDUILNMOAUMIC-UHFFFAOYSA-N 0 3 282.775 2.281 10 0 CEAEHN CC(C)CN1CCN([C@H]2CCCCCC[C@@H]2O)CC1 ZINC000055080994 519728576 /nfs/dbraw/zinc/72/85/76/519728576.db2.gz PNXUVASBSLOFQF-HOTGVXAUSA-N 0 3 268.445 2.344 10 0 CEAEHN CC(C)NCc1nccn1CCCOCC(F)(F)F ZINC000051005470 519729330 /nfs/dbraw/zinc/72/93/30/519729330.db2.gz DUGGUELEHAFQSE-UHFFFAOYSA-N 0 3 279.306 2.350 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN1CCCCCCC1)C(=O)[O-] ZINC000062438806 519734257 /nfs/dbraw/zinc/73/42/57/519734257.db2.gz LXAYEDCACSEMOU-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NCc1nnc(-c2ccccc2)o1 ZINC000050601880 519793793 /nfs/dbraw/zinc/79/37/93/519793793.db2.gz ONSXEKXCMGTINZ-CQSZACIVSA-N 0 3 288.395 2.412 10 0 CEAEHN CCCC1CCN(CC[C@@H](NCC)C(=O)OCC)CC1 ZINC000062531027 519901370 /nfs/dbraw/zinc/90/13/70/519901370.db2.gz MJJUMSDFBDDYMI-OAHLLOKOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCC1CCN(S(=O)(=O)c2ccccc2CN)CC1 ZINC000050906015 519902904 /nfs/dbraw/zinc/90/29/04/519902904.db2.gz MLOQBZHNGLDUMH-UHFFFAOYSA-N 0 3 296.436 2.346 10 0 CEAEHN CCNCc1nc(Cn2nnc3ccccc32)cs1 ZINC000052576775 520022061 /nfs/dbraw/zinc/02/20/61/520022061.db2.gz GQMPNDFZAUXHOO-UHFFFAOYSA-N 0 3 273.365 2.046 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OC[C@H](C)C(N)=O ZINC000062747433 520065211 /nfs/dbraw/zinc/06/52/11/520065211.db2.gz FWEGZIVBEZOGEJ-WDEREUQCSA-N 0 3 282.359 2.387 10 0 CEAEHN CCN[C@@H](CCSc1ccccc1Cl)C(N)=O ZINC000062598708 520095852 /nfs/dbraw/zinc/09/58/52/520095852.db2.gz AUBPWXOHYXYABY-JTQLQIEISA-N 0 3 272.801 2.286 10 0 CEAEHN CCCN[C@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000049648032 520096222 /nfs/dbraw/zinc/09/62/22/520096222.db2.gz ILQLLCHOZXOFHQ-JTQLQIEISA-N 0 3 284.306 2.393 10 0 CEAEHN CCCN[C@H]1COc2cc(OCc3ncccn3)ccc21 ZINC000062805094 520098429 /nfs/dbraw/zinc/09/84/29/520098429.db2.gz LRWZSFDNSUXIRX-AWEZNQCLSA-N 0 3 285.347 2.489 10 0 CEAEHN CCN[C@@H](c1ccc(CC)cc1)[C@H](C)S(C)(=O)=O ZINC000054930476 520110659 /nfs/dbraw/zinc/11/06/59/520110659.db2.gz ZDSZVLIIBOJOFJ-SMDDNHRTSA-N 0 3 269.410 2.333 10 0 CEAEHN CCCN[C@](CN(C)c1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069231389 520119683 /nfs/dbraw/zinc/11/96/83/520119683.db2.gz RMHBWXHSVFCBMG-KRWDZBQOSA-N 0 3 289.423 2.065 10 0 CEAEHN CCCNc1c(F)cc(C(=O)NCCN(C)C)cc1F ZINC000063004642 520127501 /nfs/dbraw/zinc/12/75/01/520127501.db2.gz WBTHTOGIAVAABJ-UHFFFAOYSA-N 0 3 285.338 2.078 10 0 CEAEHN CCCCCN(C)C[C@@](NCC)(C(=O)OC)C1CC1 ZINC000069098481 520152328 /nfs/dbraw/zinc/15/23/28/520152328.db2.gz QWIQUQKGQNFVQN-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@](CSCc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069189866 520159308 /nfs/dbraw/zinc/15/93/08/520159308.db2.gz QZQRRSCFUPNJST-MRXNPFEDSA-N 0 3 292.448 2.472 10 0 CEAEHN CCOC[C@H](O)COc1ccc2ccccc2c1CN ZINC000069275561 520166145 /nfs/dbraw/zinc/16/61/45/520166145.db2.gz NHSQZSGMZYWLMJ-ZDUSSCGKSA-N 0 3 275.348 2.075 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1ccccc1OCC ZINC000052885543 520195986 /nfs/dbraw/zinc/19/59/86/520195986.db2.gz UMZRYJALWAKJCB-CQSZACIVSA-N 0 3 291.395 2.103 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1ccc(OCC)cc1 ZINC000052885533 520196279 /nfs/dbraw/zinc/19/62/79/520196279.db2.gz YQURJCGPZFCALK-OAHLLOKOSA-N 0 3 291.395 2.103 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1COCCO1 ZINC000055300273 520210603 /nfs/dbraw/zinc/21/06/03/520210603.db2.gz YPSBMZJTUNNPPQ-KNXALSJPSA-N 0 3 277.364 2.076 10 0 CEAEHN CCN[C@](C)(CCSc1cccc(OC)c1)C(N)=O ZINC000045558197 520232091 /nfs/dbraw/zinc/23/20/91/520232091.db2.gz UNUMZAICMMEXLU-CQSZACIVSA-N 0 3 282.409 2.031 10 0 CEAEHN CCN[C@](CN1CCCC[C@@H]1C)(C(=O)OCC)C1CC1 ZINC000069093853 520246617 /nfs/dbraw/zinc/24/66/17/520246617.db2.gz SBFOHRNJTQOFSV-BBRMVZONSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCOc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1 ZINC000062669886 520317216 /nfs/dbraw/zinc/31/72/16/520317216.db2.gz LHGCDQBUTCNVAZ-UHFFFAOYSA-N 0 3 286.379 2.275 10 0 CEAEHN CCO[C@@H]1CCCN(Cc2cc(CNC)oc2C)C1 ZINC000052372313 520319830 /nfs/dbraw/zinc/31/98/30/520319830.db2.gz VESKINPBPNDMLD-CQSZACIVSA-N 0 3 266.385 2.308 10 0 CEAEHN CCNc1nc(CCN(CC)CC)nc2c1CCC2 ZINC000050847799 520356440 /nfs/dbraw/zinc/35/64/40/520356440.db2.gz TZLSYFIGSXTSBH-UHFFFAOYSA-N 0 3 262.401 2.281 10 0 CEAEHN CCCOc1cccc(C[C@@H](CN)C(=O)N2CCCC2)c1 ZINC000052920868 520456854 /nfs/dbraw/zinc/45/68/54/520456854.db2.gz LZBKDLOULAHVFS-HNNXBMFYSA-N 0 3 290.407 2.215 10 0 CEAEHN CCCOc1nc(N2CCN([C@@H](C)CC)CC2)ccc1N ZINC000055066409 520495689 /nfs/dbraw/zinc/49/56/89/520495689.db2.gz RFIJXDFUCNTKLU-ZDUSSCGKSA-N 0 3 292.427 2.373 10 0 CEAEHN CCCCN(C[C@@](NC1CC1)(C(=O)OC)C1CC1)C1CC1 ZINC000069131800 520542237 /nfs/dbraw/zinc/54/22/37/520542237.db2.gz HTTOQCMWQPCENN-KRWDZBQOSA-N 0 3 294.439 2.325 10 0 CEAEHN CCC[C@H](C(=O)N(C)C[C@@H](C)c1nccs1)N(C)C ZINC000183329536 520969743 /nfs/dbraw/zinc/96/97/43/520969743.db2.gz LOMJMCNTIKUPGZ-VXGBXAGGSA-N 0 3 283.441 2.435 10 0 CEAEHN CC1CCN(CCNC(=O)c2ccc3c[nH]nc3c2)CC1 ZINC000061670503 521012478 /nfs/dbraw/zinc/01/24/78/521012478.db2.gz NZMMNFFDSYFSOC-UHFFFAOYSA-N 0 3 286.379 2.025 10 0 CEAEHN CCN(CC[C@@H](NC)C(N)=O)c1cccc2ccccc21 ZINC000062437879 521155327 /nfs/dbraw/zinc/15/53/27/521155327.db2.gz HTPWVIFOVXGVIP-OAHLLOKOSA-N 0 3 285.391 2.130 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCCC(C)(C)C1)NC(C)C ZINC000069517048 521245613 /nfs/dbraw/zinc/24/56/13/521245613.db2.gz AHYAGDRJJGQCSQ-AWEZNQCLSA-N 0 3 284.444 2.428 10 0 CEAEHN CCOC(=O)[C@](CN(C)CC1CCC1)(NC1CC1)C1CC1 ZINC000069231916 521336370 /nfs/dbraw/zinc/33/63/70/521336370.db2.gz BJVJNWHHYXAFAN-QGZVFWFLSA-N 0 3 294.439 2.182 10 0 CEAEHN CCN(Cc1cccs1)CC1(CO)CCOCC1 ZINC000052199758 521406726 /nfs/dbraw/zinc/40/67/26/521406726.db2.gz SUFXEKAYRIIMBK-UHFFFAOYSA-N 0 3 269.410 2.359 10 0 CEAEHN CCN(c1ncc([C@H](C)NC)s1)[C@@H](C)COC ZINC000054906537 521507232 /nfs/dbraw/zinc/50/72/32/521507232.db2.gz VVIXRQNNLYCEAG-UWVGGRQHSA-N 0 3 257.403 2.285 10 0 CEAEHN CCCc1nc(N2CCSCC2)sc1CN ZINC000054996152 521533947 /nfs/dbraw/zinc/53/39/47/521533947.db2.gz IJLCGTLNUUQVGA-UHFFFAOYSA-N 0 3 257.428 2.108 10 0 CEAEHN CCN1CCC(N(C)c2nc3c(s2)[C@H](O)CCC3)CC1 ZINC000054927997 521569222 /nfs/dbraw/zinc/56/92/22/521569222.db2.gz SKXOAIRVEKEYRY-CYBMUJFWSA-N 0 3 295.452 2.433 10 0 CEAEHN CCOC1CCN(c2cnc(C(C)C)nc2CNC)CC1 ZINC000051448238 521657915 /nfs/dbraw/zinc/65/79/15/521657915.db2.gz IYCGGQYDKKZKFB-UHFFFAOYSA-N 0 3 292.427 2.325 10 0 CEAEHN CCCN(C[C@](NCC)(C(=O)OCC)C1CC1)C1CC1 ZINC000069098259 521678112 /nfs/dbraw/zinc/67/81/12/521678112.db2.gz ZIJBEMPCIXGWMB-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCc1ccccc1O[C@H](C)C[C@](C)(NC1CC1)C(N)=O ZINC000068657437 521924040 /nfs/dbraw/zinc/92/40/40/521924040.db2.gz AEGGMYUBWHLQJV-PXAZEXFGSA-N 0 3 290.407 2.402 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(C)c2ncccc12 ZINC000061316451 521941444 /nfs/dbraw/zinc/94/14/44/521941444.db2.gz QFSMUSXJGBKXPR-UHFFFAOYSA-N 0 3 257.337 2.480 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000061300336 521942783 /nfs/dbraw/zinc/94/27/83/521942783.db2.gz ASDKNZSCLGHGDG-UHFFFAOYSA-N 0 3 250.342 2.410 10 0 CEAEHN COCC[C@H](N)c1nc(-c2cc(OC)ccc2OC)c[nH]1 ZINC000052811271 521950757 /nfs/dbraw/zinc/95/07/57/521950757.db2.gz LEXOOPLQNJHKIM-LBPRGKRZSA-N 0 3 291.351 2.130 10 0 CEAEHN COCC[C@H](N)c1nc(-c2cc(C)ccc2OC)c[nH]1 ZINC000052811256 521951473 /nfs/dbraw/zinc/95/14/73/521951473.db2.gz DIYWQSDJFYVSMF-LBPRGKRZSA-N 0 3 275.352 2.430 10 0 CEAEHN CC[C@@H](C)CN[C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000054469857 522000136 /nfs/dbraw/zinc/00/01/36/522000136.db2.gz CWROIKQKSPWXSQ-YPMHNXCESA-N 0 3 266.385 2.082 10 0 CEAEHN CC[C@@H](C)N(C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069096728 522062968 /nfs/dbraw/zinc/06/29/68/522062968.db2.gz OWINAFRFMWDJBR-IUODEOHRSA-N 0 3 270.417 2.037 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2nc(N)ccc2Cl)CC1 ZINC000061639143 522125851 /nfs/dbraw/zinc/12/58/51/522125851.db2.gz BTJYAIIEPWBJEG-LLVKDONJSA-N 0 3 282.819 2.233 10 0 CEAEHN CNCc1occc1CN1CCN(c2ccccc2)CC1 ZINC000052417313 522164926 /nfs/dbraw/zinc/16/49/26/522164926.db2.gz NTTGKEFGFQWGRM-UHFFFAOYSA-N 0 3 285.391 2.321 10 0 CEAEHN CNCc1sc(N2CCO[C@H]3CCC[C@@H]32)nc1C1CC1 ZINC000069180399 522167827 /nfs/dbraw/zinc/16/78/27/522167827.db2.gz RWYDBGUZLZKNSM-RYUDHWBXSA-N 0 3 293.436 2.498 10 0 CEAEHN CN[C@@H](C)c1cnc(N(C)C2CCOCC2)s1 ZINC000054904614 522337385 /nfs/dbraw/zinc/33/73/85/522337385.db2.gz YZVGCRJKAVVIIZ-VIFPVBQESA-N 0 3 255.387 2.039 10 0 CEAEHN CN[C@@H](C)c1cnc(N2CCN(C(C)(C)C)CC2)s1 ZINC000054908864 522337822 /nfs/dbraw/zinc/33/78/22/522337822.db2.gz IOSWKWDAHQYXLQ-NSHDSACASA-N 0 3 282.457 2.344 10 0 CEAEHN CCc1nc(N2CCOC[C@H]2C)sc1CNC1CC1 ZINC000054997357 522388579 /nfs/dbraw/zinc/38/85/79/522388579.db2.gz NRGMJLRKJXGAHR-SNVBAGLBSA-N 0 3 281.425 2.183 10 0 CEAEHN CN[C@H](Cc1cnn(C)c1)c1nccc2ccccc21 ZINC000069314517 522475000 /nfs/dbraw/zinc/47/50/00/522475000.db2.gz LCYVQAZJFNLATE-OAHLLOKOSA-N 0 3 266.348 2.472 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000062806588 522483340 /nfs/dbraw/zinc/48/33/40/522483340.db2.gz PWASLMXQXZHRLR-GDBMZVCRSA-N 0 3 274.364 2.035 10 0 CEAEHN CN[C@H]1COc2cc(O[C@@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000062804383 522507112 /nfs/dbraw/zinc/50/71/12/522507112.db2.gz ZMDXOQDSPPVBLK-GWCFXTLKSA-N 0 3 292.379 2.022 10 0 CEAEHN CNc1c(F)cccc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000061656073 522545236 /nfs/dbraw/zinc/54/52/36/522545236.db2.gz FIQLRYIHQKMMNK-LLVKDONJSA-N 0 3 279.359 2.034 10 0 CEAEHN CC[C@H](Oc1ccc(Cl)cc1[C@H](C)N)C(N)=O ZINC000061676042 522874756 /nfs/dbraw/zinc/87/47/56/522874756.db2.gz KCPNGWWYHXMWIS-XVKPBYJWSA-N 0 3 256.733 2.002 10 0 CEAEHN CC[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069143104 522925713 /nfs/dbraw/zinc/92/57/13/522925713.db2.gz RSLNJTSWMFKNQP-TZMCWYRMSA-N 0 3 283.393 2.010 10 0 CEAEHN COc1ccc(-c2ccnn2C)cc1CNC1CC1 ZINC000069467364 523142059 /nfs/dbraw/zinc/14/20/59/523142059.db2.gz TWMOFKWTWOBZQT-UHFFFAOYSA-N 0 3 257.337 2.348 10 0 CEAEHN COCCCN(CCOC)Cc1ccoc1CNC(C)C ZINC000052543249 523256759 /nfs/dbraw/zinc/25/67/59/523256759.db2.gz ZJKBZCYLRVTWDZ-UHFFFAOYSA-N 0 3 298.427 2.263 10 0 CEAEHN CN(Cc1cccc(F)c1)Cc1ccnc(CN)c1 ZINC000068749422 523310726 /nfs/dbraw/zinc/31/07/26/523310726.db2.gz KSMCFWYEUREVCM-UHFFFAOYSA-N 0 3 259.328 2.311 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1Cc1cc(C)c(CNC)o1 ZINC000052571292 523350665 /nfs/dbraw/zinc/35/06/65/523350665.db2.gz SOBJLPNAAOGTKZ-OLZOCXBDSA-N 0 3 266.385 2.307 10 0 CEAEHN CC[C@H]1CSC(NC[C@H]2Cc3ccccc3O2)=N1 ZINC000051087008 523353346 /nfs/dbraw/zinc/35/33/46/523353346.db2.gz SRYYGLSVBKFMGK-NWDGAFQWSA-N 0 3 262.378 2.461 10 0 CEAEHN CN(Cc1ccccc1F)Cc1cccnc1CN ZINC000061656587 523374176 /nfs/dbraw/zinc/37/41/76/523374176.db2.gz FTLZFPHMXZVHNS-UHFFFAOYSA-N 0 3 259.328 2.311 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc(OC)c(C)c2)CCO1 ZINC000050596650 523468268 /nfs/dbraw/zinc/46/82/68/523468268.db2.gz VFVISEHDBGPSRB-CABCVRRESA-N 0 3 278.396 2.114 10 0 CEAEHN CCn1cccc1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000069052677 523501104 /nfs/dbraw/zinc/50/11/04/523501104.db2.gz NDEIPTOTCIOXMP-UHFFFAOYSA-N 0 3 269.348 2.406 10 0 CEAEHN COCCN(C)CCNc1cccc(C(F)(F)F)n1 ZINC000061379549 523616013 /nfs/dbraw/zinc/61/60/13/523616013.db2.gz HPUXLCKSDWPTOK-UHFFFAOYSA-N 0 3 277.290 2.091 10 0 CEAEHN COCCN(C)CCNc1nccc2sccc21 ZINC000061379617 523617089 /nfs/dbraw/zinc/61/70/89/523617089.db2.gz UIXZCQOFGSGPAS-UHFFFAOYSA-N 0 3 265.382 2.286 10 0 CEAEHN CO[C@@H]1CCC[C@@H](Oc2nc(C)ccc2CN)C1 ZINC000070321907 523619803 /nfs/dbraw/zinc/61/98/03/523619803.db2.gz UCBBKHLKLKGNNQ-CHWSQXEVSA-N 0 3 250.342 2.185 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H](C)CC[S@](C)=O)c1C ZINC000163417685 523665490 /nfs/dbraw/zinc/66/54/90/523665490.db2.gz UWONXLYTOYAMIZ-ZHYXMNDGSA-N 0 3 285.457 2.328 10 0 CEAEHN CN1CCN(C[C@H](N)c2cccc3ccccc32)C1=O ZINC000052885751 523908012 /nfs/dbraw/zinc/90/80/12/523908012.db2.gz HBWYTPRRBDPMRW-HNNXBMFYSA-N 0 3 269.348 2.207 10 0 CEAEHN COCCNCc1c(C)nn(CCOCCC(C)C)c1C ZINC000054717707 523947184 /nfs/dbraw/zinc/94/71/84/523947184.db2.gz JIIPRWIAENCYEU-UHFFFAOYSA-N 0 3 297.443 2.299 10 0 CEAEHN COCCNCc1cc2ccccc2nc1-n1ccnc1 ZINC000062738565 523951936 /nfs/dbraw/zinc/95/19/36/523951936.db2.gz KCMOHYPSSUKURH-UHFFFAOYSA-N 0 3 282.347 2.157 10 0 CEAEHN COCCNCc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000062729061 523953467 /nfs/dbraw/zinc/95/34/67/523953467.db2.gz FKIVFPFRRKBTTM-INIZCTEOSA-N 0 3 279.380 2.371 10 0 CEAEHN COCCNCc1ccccc1N1CCOCC1(C)C ZINC000062737022 523956086 /nfs/dbraw/zinc/95/60/86/523956086.db2.gz FPAABFVVISUWQM-UHFFFAOYSA-N 0 3 278.396 2.038 10 0 CEAEHN CC[C@H](C)N1CCN(c2cc(N)cc(F)c2)CC1 ZINC000055066644 523960168 /nfs/dbraw/zinc/96/01/68/523960168.db2.gz YRKNFFHKCPTZBQ-NSHDSACASA-N 0 3 251.349 2.328 10 0 CEAEHN COc1ccc(CN(C)Cc2ccoc2CN)cc1 ZINC000052541613 524005886 /nfs/dbraw/zinc/00/58/86/524005886.db2.gz MJMDHXIGHPLHIE-UHFFFAOYSA-N 0 3 260.337 2.379 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc3c([nH]2)CCc2sccc2-3)C1 ZINC000061327096 524008861 /nfs/dbraw/zinc/00/88/61/524008861.db2.gz AJXASNWMOQZUOB-LDYMZIIASA-N 0 3 275.377 2.286 10 0 CEAEHN COCCOc1cc2c(cc1CNC(C)(C)C)OCO2 ZINC000062733862 524040797 /nfs/dbraw/zinc/04/07/97/524040797.db2.gz GKSSSGKNKBCSTG-UHFFFAOYSA-N 0 3 281.352 2.329 10 0 CEAEHN CNC(=O)CCCOc1ccc(C)cc1CNC(C)C ZINC000068817053 524065203 /nfs/dbraw/zinc/06/52/03/524065203.db2.gz HUVOQTCPRHJYPV-UHFFFAOYSA-N 0 3 278.396 2.398 10 0 CEAEHN CNC(=O)CCCOc1cc(F)ccc1[C@H](C)NC ZINC000068816939 524065378 /nfs/dbraw/zinc/06/53/78/524065378.db2.gz ARVKHYQWKQCOCH-JTQLQIEISA-N 0 3 268.332 2.011 10 0 CEAEHN COc1ccc(CN[C@H](CN(C)C)C(C)C)c(OC)c1 ZINC000049195077 524090039 /nfs/dbraw/zinc/09/00/39/524090039.db2.gz BUMQVMBFQQTOAW-OAHLLOKOSA-N 0 3 280.412 2.380 10 0 CEAEHN C[C@H]1CCC[C@H](C(=O)N[C@@H]2CCc3ccccc3C2)N1 ZINC000051632929 524179017 /nfs/dbraw/zinc/17/90/17/524179017.db2.gz WSQVWCHKUUUEHL-APHBMKBZSA-N 0 3 272.392 2.191 10 0 CEAEHN C[C@@H]1CCCN(C(=O)c2c[nH]c(=NN)c(Cl)c2)[C@H]1C ZINC000051091734 524213407 /nfs/dbraw/zinc/21/34/07/524213407.db2.gz VZEIFBUTDLYAOR-BDAKNGLRSA-N 0 3 282.775 2.281 10 0 CEAEHN C[C@@H](C(=O)c1ccc(F)cc1)N1CCC[C@@H]1CN(C)C ZINC000061645703 524306785 /nfs/dbraw/zinc/30/67/85/524306785.db2.gz MVZJQZWYZOFMFI-SWLSCSKDSA-N 0 3 278.371 2.423 10 0 CEAEHN Cc1cc(C)c(OCC[C@@H](NC(C)C)C(N)=O)c(C)c1 ZINC000062541408 524312257 /nfs/dbraw/zinc/31/22/57/524312257.db2.gz IDCHQWZOSJVVDQ-CQSZACIVSA-N 0 3 278.396 2.233 10 0 CEAEHN Cc1ccc(CN)cc1NC(=O)COc1ccccc1 ZINC000050430601 524424448 /nfs/dbraw/zinc/42/44/48/524424448.db2.gz YRCQOHZDRXDQJX-UHFFFAOYSA-N 0 3 270.332 2.471 10 0 CEAEHN Cc1ccc(CN)cc1N1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000050430521 524424517 /nfs/dbraw/zinc/42/45/17/524424517.db2.gz UQJGLWQEAVJFJX-INIZCTEOSA-N 0 3 274.364 2.379 10 0 CEAEHN C[C@@H](CN1CCCC1)NCc1ccn(-c2ccccc2)n1 ZINC000061641067 524592291 /nfs/dbraw/zinc/59/22/91/524592291.db2.gz DOLBPJCLXXKUNX-HNNXBMFYSA-N 0 3 284.407 2.446 10 0 CEAEHN Cc1cc(C)nc(SCc2ccnc(C(=N)N)c2)n1 ZINC000068762990 524602307 /nfs/dbraw/zinc/60/23/07/524602307.db2.gz AUYCEVDMHKLPTO-UHFFFAOYSA-N 0 3 273.365 2.065 10 0 CEAEHN C[C@H](C[C@@](C)(N)C(N)=O)Oc1cccc2ccccc21 ZINC000068656746 524629559 /nfs/dbraw/zinc/62/95/59/524629559.db2.gz GUCFMVHHABOMAN-BDJLRTHQSA-N 0 3 272.348 2.200 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc(Cl)ccc1F ZINC000069133048 524697882 /nfs/dbraw/zinc/69/78/82/524697882.db2.gz ZGOOPILTPSSNDN-IUCAKERBSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@H]1C[C@H](C)CN(Cc2nc(NN)ccc2Cl)C1 ZINC000061638875 524887553 /nfs/dbraw/zinc/88/75/53/524887553.db2.gz VKTMUVDAFBDEHU-UWVGGRQHSA-N 0 3 268.792 2.499 10 0 CEAEHN Cc1ccccc1CCC(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069133451 525102239 /nfs/dbraw/zinc/10/22/39/525102239.db2.gz ZHAJWJAHQGMWRD-OKILXGFUSA-N 0 3 260.381 2.136 10 0 CEAEHN C[C@](N)(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000061627047 525145467 /nfs/dbraw/zinc/14/54/67/525145467.db2.gz NXVSMAQJLANYPH-CYBMUJFWSA-N 0 3 286.297 2.449 10 0 CEAEHN Cc1ccccc1N(C)C[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069231351 525215767 /nfs/dbraw/zinc/21/57/67/525215767.db2.gz KVNVMQOJEZDVMX-QGZVFWFLSA-N 0 3 289.423 2.063 10 0 CEAEHN C[C@H](NCC(=O)Nc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000183093510 525308432 /nfs/dbraw/zinc/30/84/32/525308432.db2.gz ZSLTYKDPWCDRIL-ZANVPECISA-N 0 3 284.306 2.060 10 0 CEAEHN Cc1ccc(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)cc1C ZINC000068656033 525462144 /nfs/dbraw/zinc/46/21/44/525462144.db2.gz RGMJISFAUDGXJX-GUYCJALGSA-N 0 3 290.407 2.457 10 0 CEAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1 ZINC000183104620 525525990 /nfs/dbraw/zinc/52/59/90/525525990.db2.gz YRUSQSJLNKSCBK-OFQRWUPVSA-N 0 3 290.407 2.191 10 0 CEAEHN CSCC[C@@H](N)C(=O)NCC(C)(C)C1CCCC1 ZINC000157976984 525543861 /nfs/dbraw/zinc/54/38/61/525543861.db2.gz LGYPEWUEVMDTMQ-GFCCVEGCSA-N 0 3 272.458 2.399 10 0 CEAEHN C[C@H](O)COc1cc2c(cc1CNC(C)(C)C)OCO2 ZINC000062733885 525786329 /nfs/dbraw/zinc/78/63/29/525786329.db2.gz NUXGPLPCSHQHNK-JTQLQIEISA-N 0 3 281.352 2.063 10 0 CEAEHN C[C@H](O)c1ccccc1NC(=O)C1(N)CCCCC1 ZINC000049547401 525858707 /nfs/dbraw/zinc/85/87/07/525858707.db2.gz GYBJQGWTNVHEFA-NSHDSACASA-N 0 3 262.353 2.340 10 0 CEAEHN Fc1cc(Br)ccc1COC1CNC1 ZINC000062809912 526295480 /nfs/dbraw/zinc/29/54/80/526295480.db2.gz LDBZTCXEFCFHGM-UHFFFAOYSA-N 0 3 260.106 2.077 10 0 CEAEHN c1ccc2c(c1)CNC[C@H]2N1CCO[C@H]2CCCC[C@@H]21 ZINC000069266746 526508511 /nfs/dbraw/zinc/50/85/11/526508511.db2.gz WNRPUTOZXNCTNV-BBWFWOEESA-N 0 3 272.392 2.474 10 0 CEAEHN N=C(N)c1cc(Cn2ccnc2-c2ccccc2)ccn1 ZINC000068762114 526821211 /nfs/dbraw/zinc/82/12/11/526821211.db2.gz ALXANSGPBQIDAM-UHFFFAOYSA-N 0 3 277.331 2.277 10 0 CEAEHN Cc1nc(N(C)CC(F)(F)F)sc1[C@H](C)N ZINC000054896126 526950030 /nfs/dbraw/zinc/95/00/30/526950030.db2.gz GQPVNGNNQQASOZ-YFKPBYRVSA-N 0 3 253.293 2.470 10 0 CEAEHN Cc1nc(N(C)[C@@H]2CCCN(C)C2)sc1[C@@H](C)O ZINC000054911531 526951247 /nfs/dbraw/zinc/95/12/47/526951247.db2.gz KKWIATZYBLCRLU-GHMZBOCLSA-N 0 3 269.414 2.035 10 0 CEAEHN Cc1nc(N(CC(F)(F)F)C2CC2)sc1CN ZINC000054998528 526953651 /nfs/dbraw/zinc/95/36/51/526953651.db2.gz UUXWZYCGTUIHAX-UHFFFAOYSA-N 0 3 265.304 2.441 10 0 CEAEHN O=C1CC2(CCCC2)C(=O)N1c1ccc2c(c1)CNCC2 ZINC000069052854 526961689 /nfs/dbraw/zinc/96/16/89/526961689.db2.gz VHGYDMYGXNUAOA-UHFFFAOYSA-N 0 3 284.359 2.156 10 0 CEAEHN Cc1nc(N2C[C@H](C)OC[C@@H]2C)sc1[C@@H](C)N ZINC000054895556 526973233 /nfs/dbraw/zinc/97/32/33/526973233.db2.gz TVKRGJBKDDTRMC-XHNCKOQMSA-N 0 3 255.387 2.085 10 0 CEAEHN NC[C@H](C(=O)NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000061613188 527223634 /nfs/dbraw/zinc/22/36/34/527223634.db2.gz XWQNXPHLWODXLY-HIFRSBDPSA-N 0 3 258.365 2.201 10 0 CEAEHN NC[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000050911856 527225354 /nfs/dbraw/zinc/22/53/54/527225354.db2.gz WMHYBAQIFXLWEX-KRWDZBQOSA-N 0 3 280.371 2.346 10 0 CEAEHN NCc1cc(-n2cc(-c3ccccc3)cn2)ccn1 ZINC000054961985 527243457 /nfs/dbraw/zinc/24/34/57/527243457.db2.gz FXEATFUKLASLRE-UHFFFAOYSA-N 0 3 250.305 2.393 10 0 CEAEHN NCc1cn(CCOc2cc(Cl)ccc2Cl)nn1 ZINC000052652683 527262118 /nfs/dbraw/zinc/26/21/18/527262118.db2.gz MCTSQTRMQNKLAB-UHFFFAOYSA-N 0 3 287.150 2.123 10 0 CEAEHN NCc1cnn(Cc2cc(Br)ccc2F)c1 ZINC000054716772 527264752 /nfs/dbraw/zinc/26/47/52/527264752.db2.gz BHGSXQRCQUKFPK-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN NCc1sc(N2CCO[C@@H]3CCC[C@@H]32)nc1C1CC1 ZINC000069180394 527269280 /nfs/dbraw/zinc/26/92/80/527269280.db2.gz KGFQCBYBSMAQDL-WDEREUQCSA-N 0 3 279.409 2.237 10 0 CEAEHN N[C@H](Cc1ccccc1Br)c1cncnc1 ZINC000055335185 527389367 /nfs/dbraw/zinc/38/93/67/527389367.db2.gz BCVNPKAXWBSTKD-GFCCVEGCSA-N 0 3 278.153 2.482 10 0 CEAEHN O=c1ccn(CCNCc2ccc(Cl)s2)cc1 ZINC000061628632 527491433 /nfs/dbraw/zinc/49/14/33/527491433.db2.gz AWUFQHBSQJXPJC-UHFFFAOYSA-N 0 3 268.769 2.353 10 0 CEAEHN Nc1cnn(CCN(Cc2ccsc2)C2CC2)c1 ZINC000050614793 527539273 /nfs/dbraw/zinc/53/92/73/527539273.db2.gz BVYQGZQOJXUSFI-UHFFFAOYSA-N 0 3 262.382 2.191 10 0 CEAEHN FC(F)(F)CO[C@@H]1CCC[C@H](NCc2cncnc2)C1 ZINC000054767843 527671473 /nfs/dbraw/zinc/67/14/73/527671473.db2.gz DKXNXBYNBPCDIP-NWDGAFQWSA-N 0 3 289.301 2.456 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nc(C)c(C)o1 ZINC000175335531 529097855 /nfs/dbraw/zinc/09/78/55/529097855.db2.gz VOILUTLIVVOLHZ-ZDUSSCGKSA-N 0 3 251.374 2.208 10 0 CEAEHN CC(C)(C)c1cc(C(C)(C)C)nc(N2CCNCC2)n1 ZINC000071397908 535105353 /nfs/dbraw/zinc/10/53/53/535105353.db2.gz JKKPXMCYONXHMX-UHFFFAOYSA-N 0 3 276.428 2.481 10 0 CEAEHN CC(C)CNCc1cncc(N2CCC[C@@H](C)C2)n1 ZINC000091418390 535169824 /nfs/dbraw/zinc/16/98/24/535169824.db2.gz IIWGGGQXIRBQLZ-CYBMUJFWSA-N 0 3 262.401 2.459 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000237043756 535953617 /nfs/dbraw/zinc/95/36/17/535953617.db2.gz NVCRHLRJTYGLLU-YDHLFZDLSA-N 0 3 295.427 2.152 10 0 CEAEHN COc1ccccc1N1CCN([C@@H]2CCC[C@H](O)C2)CC1 ZINC000093731515 537070083 /nfs/dbraw/zinc/07/00/83/537070083.db2.gz XLPROLVZOLIHLN-CABCVRRESA-N 0 3 290.407 2.121 10 0 CEAEHN CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@H]1NC ZINC000005575420 560202545 /nfs/dbraw/zinc/20/25/45/560202545.db2.gz PDJZPNKVLDWEKI-ZBFHGGJFSA-N 0 3 259.349 2.426 10 0 in-vitro CEAEHN N[C@H](CC1CCCCC1)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000261768333 623449791 /nfs/dbraw/zinc/44/97/91/623449791.db2.gz VRDXZOJSKKDRPH-OAGGEKHMSA-N 0 3 294.439 2.454 10 0 CEAEHN COC(=O)C[C@H](N)c1ccc(F)c(C(F)(F)F)c1 ZINC000095638403 624186687 /nfs/dbraw/zinc/18/66/87/624186687.db2.gz KYTZFINADGMAIU-VIFPVBQESA-N 0 3 265.206 2.407 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2cc(F)c(F)cc2F)C1 ZINC000225263004 627323855 /nfs/dbraw/zinc/32/38/55/627323855.db2.gz LOCGFHDKNULJMA-UWVGGRQHSA-N 0 3 259.271 2.497 10 0 CEAEHN CN(C(=O)n1ccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309704554 627783633 /nfs/dbraw/zinc/78/36/33/627783633.db2.gz HJRFFDVXWSPKTE-OAHLLOKOSA-N 0 3 284.363 2.058 10 0 CEAEHN CC[C@H]1CN(c2cccc(Cl)n2)CCN1C[C@@H](C)O ZINC000192790748 628451834 /nfs/dbraw/zinc/45/18/34/628451834.db2.gz UHCLLJKVWDEAQY-NEPJUHHUSA-N 0 3 283.803 2.016 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(Br)nc1 ZINC000226393178 628904065 /nfs/dbraw/zinc/90/40/65/628904065.db2.gz CLRHZVMYTXLQGU-OIBJUYFYSA-N 0 3 286.173 2.156 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000262331778 630688518 /nfs/dbraw/zinc/68/85/18/630688518.db2.gz VTMVSIMTLDGNGS-CYBMUJFWSA-N 0 3 292.383 2.282 10 0 CEAEHN CCOc1ccccc1[C@H](C)NCC[S@](C)=O ZINC000131423449 652424532 /nfs/dbraw/zinc/42/45/32/652424532.db2.gz QFTCVEPTWBHJNK-APPDUMDISA-N 0 3 255.383 2.114 10 0 CEAEHN C[C@@H](NCC[S@@](C)=O)c1ccc(Cl)s1 ZINC000133794763 652720111 /nfs/dbraw/zinc/72/01/11/652720111.db2.gz JYCVRWFDGZAVMN-UOWDBTKRSA-N 0 3 251.804 2.431 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cc(Cl)ccc2OC)C1 ZINC000134439159 652838987 /nfs/dbraw/zinc/83/89/87/652838987.db2.gz UEVGCCWBCNILEE-AWEZNQCLSA-N 0 3 298.814 2.159 10 0 CEAEHN CCc1ccc([C@H](N)C[S@](=O)CCCOC)cc1 ZINC000081998939 177917160 /nfs/dbraw/zinc/91/71/60/177917160.db2.gz HHYVQRVLLWTHFX-KDOFPFPSSA-N 0 3 269.410 2.034 10 0 CEAEHN CNCc1sc(N2CCC[C@@H](C)C2)nc1COC ZINC000082447199 178025986 /nfs/dbraw/zinc/02/59/86/178025986.db2.gz JOIVTNCXMZNGDJ-SNVBAGLBSA-N 0 3 269.414 2.245 10 0 CEAEHN Cc1nc([C@@H]2CCCOC2)nc(NN)c1C(C)C ZINC000082581005 178119806 /nfs/dbraw/zinc/11/98/06/178119806.db2.gz GWSSKINOAOICRO-SNVBAGLBSA-N 0 3 250.346 2.088 10 0 CEAEHN CNCc1c(Cl)cccc1SCC(=O)OC ZINC000082616152 178126303 /nfs/dbraw/zinc/12/63/03/178126303.db2.gz MYPFVCAHQMEBFW-UHFFFAOYSA-N 0 3 259.758 2.325 10 0 CEAEHN Cc1ccc(Cl)cc1NC(=O)C1(N)CCOCC1 ZINC000127726282 187329021 /nfs/dbraw/zinc/32/90/21/187329021.db2.gz IXFJLWYFSWBSID-UHFFFAOYSA-N 0 3 268.744 2.095 10 0 CEAEHN NCc1cn2cc(Cl)cc(Br)c2n1 ZINC000082694042 178188420 /nfs/dbraw/zinc/18/84/20/178188420.db2.gz ZIWJZWHMGYDGKA-UHFFFAOYSA-N 0 3 260.522 2.209 10 0 CEAEHN Cc1nc2c(Br)cccn2c1[C@H](C)N ZINC000082695431 178191191 /nfs/dbraw/zinc/19/11/91/178191191.db2.gz JJUKBYHEYGURFO-LURJTMIESA-N 0 3 254.131 2.425 10 0 CEAEHN CC[C@H](C)[C@@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939135 361798434 /nfs/dbraw/zinc/79/84/34/361798434.db2.gz OPIVTJSOFLQCET-ISVAXAHUSA-N 0 3 261.325 2.380 10 0 CEAEHN N[C@@H]([C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000096951046 185140069 /nfs/dbraw/zinc/14/00/69/185140069.db2.gz BGABOZASOBRRCL-RYUDHWBXSA-N 0 3 258.287 2.398 10 0 CEAEHN CCn1c2ccccc2cc(CNCCCOC)c1=O ZINC000039287566 361987727 /nfs/dbraw/zinc/98/77/27/361987727.db2.gz VJMFBFGESHVFPB-UHFFFAOYSA-N 0 3 274.364 2.148 10 0 CEAEHN C[C@@H]1CC[C@](N)(c2ncc(Br)cn2)C1 ZINC000307494530 539169455 /nfs/dbraw/zinc/16/94/55/539169455.db2.gz LPCGFQKTOAZTKV-GMSGAONNSA-N 0 3 256.147 2.213 10 0 CEAEHN N[C@H]1C[C@]12CNc1c2cc(Cl)cc1Br ZINC000725247599 539192297 /nfs/dbraw/zinc/19/22/97/539192297.db2.gz RTGMZZRVFJYVHT-WCBMZHEXSA-N 0 3 273.561 2.497 10 0 CEAEHN C[C@@H](c1cnn(CC2CCC2)c1)N1CCC(CO)CC1 ZINC000725264527 539213155 /nfs/dbraw/zinc/21/31/55/539213155.db2.gz TZFMXTWTAAWNRN-ZDUSSCGKSA-N 0 3 277.412 2.449 10 0 CEAEHN Cn1cc(CN[C@H]2CCC[C@@H](O)C2)c(C(C)(C)C)n1 ZINC000126531151 539231507 /nfs/dbraw/zinc/23/15/07/539231507.db2.gz QXNATAFKSNWQSI-QWHCGFSZSA-N 0 3 265.401 2.111 10 0 CEAEHN O[C@H]1CCN[C@@H](c2ccc(Br)cc2)C1 ZINC000041326354 362028889 /nfs/dbraw/zinc/02/88/89/362028889.db2.gz GRVIFCLXQLJTDN-WDEREUQCSA-N 0 3 256.143 2.235 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H]2CCc3c2cccc3F)C1 ZINC000135586621 539288092 /nfs/dbraw/zinc/28/80/92/539288092.db2.gz PHBXIVGITNREGF-MLGOLLRUSA-N 0 3 278.371 2.123 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2cccc(OC)c2)C1 ZINC000135735470 539288982 /nfs/dbraw/zinc/28/89/82/539288982.db2.gz GGTOPGJIBPSWIO-BBRMVZONSA-N 0 3 278.396 2.067 10 0 CEAEHN O=C1CCCN1c1ccc(OCCN2CCCC2)cc1 ZINC000003634894 343352413 /nfs/dbraw/zinc/35/24/13/343352413.db2.gz ZERNUJININJBQK-UHFFFAOYSA-N 0 3 274.364 2.288 10 0 CEAEHN Cc1ncsc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000046745457 362186025 /nfs/dbraw/zinc/18/60/25/362186025.db2.gz PFLKMASGWVIEMQ-ZDUSSCGKSA-N 0 3 289.404 2.484 10 0 CEAEHN C[C@H](NCCc1cccs1)C(=O)NCc1ccco1 ZINC000034937905 343421224 /nfs/dbraw/zinc/42/12/24/343421224.db2.gz KZJUDNXQOUDOPL-NSHDSACASA-N 0 3 278.377 2.178 10 0 CEAEHN COC(=O)c1cc(NC(=O)[C@H](N)CC(C)C)ccc1Cl ZINC000037006034 343424867 /nfs/dbraw/zinc/42/48/67/343424867.db2.gz RUQMMBAUQBDLIF-GFCCVEGCSA-N 0 3 298.770 2.439 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000037166302 343426152 /nfs/dbraw/zinc/42/61/52/343426152.db2.gz GZKLEJQLADTNFI-SJORKVTESA-N 0 3 285.391 2.325 10 0 CEAEHN Cn1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000037560892 343427815 /nfs/dbraw/zinc/42/78/15/343427815.db2.gz FUMJAZGDQSPJGB-CQSZACIVSA-N 0 3 256.353 2.107 10 0 CEAEHN COCCCOc1cc(CNC2CC2)ccc1OC ZINC000037753460 343430497 /nfs/dbraw/zinc/43/04/97/343430497.db2.gz ONESTSIWMJFMLP-UHFFFAOYSA-N 0 3 265.353 2.363 10 0 CEAEHN C[C@@H]1CN(Cc2ccccc2N2CCOCC2)CCS1 ZINC000131406071 136388991 /nfs/dbraw/zinc/38/89/91/136388991.db2.gz MHBAHTDGNPGXEG-CQSZACIVSA-N 0 3 292.448 2.461 10 0 CEAEHN C[C@H](OCC1CC1)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000119548814 344295704 /nfs/dbraw/zinc/29/57/04/344295704.db2.gz XKLMMGQBSFDBSA-BBRMVZONSA-N 0 3 290.407 2.221 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCN(C)C2)o1 ZINC000108542604 344265803 /nfs/dbraw/zinc/26/58/03/344265803.db2.gz YZJWVBHWHQFCMJ-STQMWFEESA-N 0 3 279.384 2.290 10 0 CEAEHN CC(C)CNC(=N)c1ccc(Br)cn1 ZINC000133377829 344368525 /nfs/dbraw/zinc/36/85/25/344368525.db2.gz CICHCWWFLWRIAR-UHFFFAOYSA-N 0 3 256.147 2.415 10 0 CEAEHN COc1cccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000143654733 344406426 /nfs/dbraw/zinc/40/64/26/344406426.db2.gz JCIYXQUNIYISDV-HZPDHXFCSA-N 0 3 298.386 2.298 10 0 CEAEHN C[C@H](CNc1nnc(Br)s1)N1CCCC1 ZINC000161427314 344464142 /nfs/dbraw/zinc/46/41/42/344464142.db2.gz DVHNHCCUFPGFSF-SSDOTTSWSA-N 0 3 291.218 2.197 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCCC2CCCC2)C1 ZINC000170830233 344491091 /nfs/dbraw/zinc/49/10/91/344491091.db2.gz QAPNNAGYUFBYOS-AWEZNQCLSA-N 0 3 267.417 2.302 10 0 CEAEHN COc1ccc2nc(C(=O)N3CC[C@H](N(C)C)C3)ccc2c1 ZINC000170856872 344491671 /nfs/dbraw/zinc/49/16/71/344491671.db2.gz GDPZUMROCJDHED-ZDUSSCGKSA-N 0 3 299.374 2.020 10 0 CEAEHN COc1ccc(C)cc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171069874 344495165 /nfs/dbraw/zinc/49/51/65/344495165.db2.gz QYOHXHLHZCYECQ-GFCCVEGCSA-N 0 3 277.368 2.171 10 0 CEAEHN OCC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000050104675 362400654 /nfs/dbraw/zinc/40/06/54/362400654.db2.gz SCTKTXJQHOLQJL-UHFFFAOYSA-N 0 3 256.349 2.439 10 0 CEAEHN O[C@H](CNC[C@H]1CCC2(CCCCC2)O1)C(F)(F)F ZINC000236545666 344596122 /nfs/dbraw/zinc/59/61/22/344596122.db2.gz ZWCJUVDJKXKNSA-GHMZBOCLSA-N 0 3 281.318 2.381 10 0 CEAEHN C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12NCCS2 ZINC000307172536 344720576 /nfs/dbraw/zinc/72/05/76/344720576.db2.gz NBBKJAHXCGYEGH-GWCFXTLKSA-N 0 3 272.414 2.439 10 0 CEAEHN CN(Cc1ncccn1)[C@@H]1CCN(Cc2cccs2)C1 ZINC000328647234 344758006 /nfs/dbraw/zinc/75/80/06/344758006.db2.gz TVRNIJXNPAJKHF-CYBMUJFWSA-N 0 3 288.420 2.244 10 0 CEAEHN COC(=O)c1ccc(CNC[C@@H](O)C(C)(C)C)cc1F ZINC000324509098 344754213 /nfs/dbraw/zinc/75/42/13/344754213.db2.gz MKHJVUICCRVVAY-CYBMUJFWSA-N 0 3 283.343 2.109 10 0 CEAEHN N[C@@H](c1occc1Br)C1CCOCC1 ZINC000083719433 178722884 /nfs/dbraw/zinc/72/28/84/178722884.db2.gz WWHVLVHYCHWPMD-SECBINFHSA-N 0 3 260.131 2.469 10 0 CEAEHN Cc1cc(C)c(CN2CC[C@@H]3OCCN[C@@H]3C2)c(C)c1 ZINC000404118370 344878418 /nfs/dbraw/zinc/87/84/18/344878418.db2.gz LXAOPEKLHYNWMC-SJORKVTESA-N 0 3 274.408 2.175 10 0 CEAEHN NCc1cc(N2CCC(C(F)(F)F)CC2)c(F)cn1 ZINC000584630114 344969517 /nfs/dbraw/zinc/96/95/17/344969517.db2.gz WQLYKZDRVLBCGG-UHFFFAOYSA-N 0 3 277.265 2.458 10 0 CEAEHN CCOc1ccc([C@@H](N)CC(=O)OC(C)(C)C)cn1 ZINC000584633888 344970598 /nfs/dbraw/zinc/97/05/98/344970598.db2.gz RJIPVLAESROREV-NSHDSACASA-N 0 3 266.341 2.212 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000054073643 362509192 /nfs/dbraw/zinc/50/91/92/362509192.db2.gz XDMDTSYUKOECKM-NXEZZACHSA-N 0 3 299.212 2.104 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000054075043 362510457 /nfs/dbraw/zinc/51/04/57/362510457.db2.gz ZYWWGIAAMWYYJP-BDAKNGLRSA-N 0 3 256.296 2.092 10 0 CEAEHN C(C1CCSCC1)N1CCN2CCCC[C@@H]2C1 ZINC000229409344 539467181 /nfs/dbraw/zinc/46/71/81/539467181.db2.gz XRJKPVGAHLRDTG-CQSZACIVSA-N 0 3 254.443 2.300 10 0 CEAEHN Cc1cnn(C[C@H]2CN(CC3CCCCC3)CCO2)c1 ZINC000106194279 232194599 /nfs/dbraw/zinc/19/45/99/232194599.db2.gz OSQMHYHTCYTFHA-MRXNPFEDSA-N 0 3 277.412 2.473 10 0 CEAEHN CCCc1nnsc1[C@H](Cc1nccs1)NC ZINC000097313799 185585391 /nfs/dbraw/zinc/58/53/91/185585391.db2.gz BMZCKAUQVWULID-VIFPVBQESA-N 0 3 268.411 2.450 10 0 CEAEHN Cc1nc([C@H](N)Cc2cn3ccsc3n2)cs1 ZINC000097349847 185587975 /nfs/dbraw/zinc/58/79/75/185587975.db2.gz OGLOWRABRPTCFR-SECBINFHSA-N 0 3 264.379 2.403 10 0 CEAEHN COc1cccc(C[C@H](NN)C(C)(C)N2CCCCC2)c1 ZINC000097581928 185629378 /nfs/dbraw/zinc/62/93/78/185629378.db2.gz HPFGGCXWOSLICY-INIZCTEOSA-N 0 3 291.439 2.334 10 0 CEAEHN CCOCCN1C[C@H](c2ccccc2)NC[C@@H]1C1CC1 ZINC000085506901 179084505 /nfs/dbraw/zinc/08/45/05/179084505.db2.gz IESMGUMCSCDYNP-IAGOWNOFSA-N 0 3 274.408 2.448 10 0 CEAEHN OC1(CN2CCN(c3ccc(Cl)cc3)CC2)CCC1 ZINC000336800095 365827795 /nfs/dbraw/zinc/82/77/95/365827795.db2.gz KZPYDXHOORCZLN-UHFFFAOYSA-N 0 3 280.799 2.377 10 0 CEAEHN Cc1nc(NC(=O)CNC(C)C)ccc1Br ZINC000085729000 179131985 /nfs/dbraw/zinc/13/19/85/179131985.db2.gz ZNDJMPPVFPLYCG-UHFFFAOYSA-N 0 3 286.173 2.089 10 0 CEAEHN O[C@@H]1CCCC[C@@H]1CNCc1ccc(Br)cn1 ZINC000085978954 179208632 /nfs/dbraw/zinc/20/86/32/179208632.db2.gz BLHSRIJMWXXSDG-ZWNOBZJWSA-N 0 3 299.212 2.485 10 0 CEAEHN Nc1ccc(Cl)c(SC[C@H]2CNCCO2)c1 ZINC000085929864 179203006 /nfs/dbraw/zinc/20/30/06/179203006.db2.gz DFNVDLIBYKFLIJ-SECBINFHSA-N 0 3 258.774 2.003 10 0 CEAEHN C[C@@H](NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1 ZINC000085986241 179212148 /nfs/dbraw/zinc/21/21/48/179212148.db2.gz PMXBRNOPOTXSIM-IPYPFGDCSA-N 0 3 276.380 2.154 10 0 CEAEHN C[C@@H]1[C@@H](C)CC[C@@H]1N[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000086075200 179225274 /nfs/dbraw/zinc/22/52/74/179225274.db2.gz QRPVHTGDZOIJJF-MYZSUADSSA-N 0 3 286.375 2.343 10 0 CEAEHN CC[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H]1C ZINC000086093981 179228932 /nfs/dbraw/zinc/22/89/32/179228932.db2.gz HGZGCNLDWDFNNR-WISYIIOYSA-N 0 3 258.431 2.008 10 0 CEAEHN CC[C@@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@@H]1C ZINC000086094711 179229500 /nfs/dbraw/zinc/22/95/00/179229500.db2.gz OCXSQSGHZWJVAH-DMRZNYOFSA-N 0 3 274.408 2.497 10 0 CEAEHN CC(=O)N[C@H]1CCCN([C@H]2C=CCCCCC2)C1 ZINC000606432938 347471406 /nfs/dbraw/zinc/47/14/06/347471406.db2.gz ZDCJPRGLZKASEI-GJZGRUSLSA-N 0 3 250.386 2.476 10 0 CEAEHN c1nc(CCN2CCNC[C@@H]2c2ccccc2)cs1 ZINC000086177860 179246690 /nfs/dbraw/zinc/24/66/90/179246690.db2.gz CTXXDPIMYUEADK-OAHLLOKOSA-N 0 3 273.405 2.332 10 0 CEAEHN Cn1cc([C@H]2CCN(Cc3cnn(C(C)(C)C)c3)C2)cn1 ZINC000128546207 187377000 /nfs/dbraw/zinc/37/70/00/187377000.db2.gz ZMNGXXBERLFRNX-AWEZNQCLSA-N 0 3 287.411 2.361 10 0 CEAEHN NC[C@H]1OCCN(C2CC2)[C@@H]1c1ccc2ccccc2n1 ZINC000086317402 179270304 /nfs/dbraw/zinc/27/03/04/179270304.db2.gz DGPUOVVIKJRWBF-IAGOWNOFSA-N 0 3 283.375 2.098 10 0 CEAEHN CC(C)N1C(=O)C[C@@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317446 179270455 /nfs/dbraw/zinc/27/04/55/179270455.db2.gz CKPKBXQTHCMTHH-MLGOLLRUSA-N 0 3 269.348 2.244 10 0 CEAEHN CN(C)C[C@H]1CCCN1c1nc(Br)cs1 ZINC000086291043 179265770 /nfs/dbraw/zinc/26/57/70/179265770.db2.gz IJPBSMWQSAMVQM-MRVPVSSYSA-N 0 3 290.230 2.436 10 0 CEAEHN CC(C)(C)NC(=O)[C@H](CN)Cc1ccc2ccccc2n1 ZINC000086317255 179269695 /nfs/dbraw/zinc/26/96/95/179269695.db2.gz KSBFZTWZMKNXFS-ZDUSSCGKSA-N 0 3 285.391 2.267 10 0 CEAEHN CCN[C@@H]1CCCc2sc(N3CCOC[C@@H]3C)nc21 ZINC000086442741 179293404 /nfs/dbraw/zinc/29/34/04/179293404.db2.gz NTYGFRGVNMLBMK-WDEREUQCSA-N 0 3 281.425 2.355 10 0 CEAEHN CN(c1nc2c(s1)CCC[C@@H]2N)C1CCOCC1 ZINC000086442926 179293644 /nfs/dbraw/zinc/29/36/44/179293644.db2.gz OOTLPKQQQWUOMP-JTQLQIEISA-N 0 3 267.398 2.094 10 0 CEAEHN O[C@H]1CCCc2sc(N3CC[C@@H](N4CCCC4)C3)nc21 ZINC000086444785 179294898 /nfs/dbraw/zinc/29/48/98/179294898.db2.gz WTXHEETVVVNLEM-NEPJUHHUSA-N 0 3 293.436 2.187 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccn1C1CC1 ZINC000086448007 179295432 /nfs/dbraw/zinc/29/54/32/179295432.db2.gz OYIONLMISIKOSZ-QWHCGFSZSA-N 0 3 275.396 2.426 10 0 CEAEHN COC(OC)[C@H](N)Cc1cc(F)ccc1Br ZINC000086451662 179296356 /nfs/dbraw/zinc/29/63/56/179296356.db2.gz ONBYPPDOZSLNLO-SNVBAGLBSA-N 0 3 292.148 2.077 10 0 CEAEHN COc1cccc([C@H](C)N[C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674893 179318426 /nfs/dbraw/zinc/31/84/26/179318426.db2.gz UWZXDVXQLNRFPH-CQDKDKBSSA-N 0 3 297.420 2.312 10 0 CEAEHN Cc1cccc(CCN[C@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086675839 179319584 /nfs/dbraw/zinc/31/95/84/179319584.db2.gz DGHKEQNESBOHND-LSDHHAIUSA-N 0 3 281.421 2.093 10 0 CEAEHN O=C([O-])CC1CN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000086811968 179341354 /nfs/dbraw/zinc/34/13/54/179341354.db2.gz AJXONTLWXNDBFD-UHFFFAOYSA-N 0 3 288.391 2.058 10 0 CEAEHN COc1ccc([C@]2(O)CCCN(C)CC2)cc1F ZINC000086834057 179349919 /nfs/dbraw/zinc/34/99/19/179349919.db2.gz YMMSZKWVMZZOKH-AWEZNQCLSA-N 0 3 253.317 2.138 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1nccc2ccccc21 ZINC000086979732 179372970 /nfs/dbraw/zinc/37/29/70/179372970.db2.gz MBVFXXJKOLAKNP-AWEZNQCLSA-N 0 3 292.404 2.450 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](NC)c1ccccc1F ZINC000086979549 179373215 /nfs/dbraw/zinc/37/32/15/179373215.db2.gz BCBQZEPKVLSQTF-ZDUSSCGKSA-N 0 3 273.373 2.301 10 0 CEAEHN CCC[C@@H]1CCC[C@@](NC[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000086949349 179368351 /nfs/dbraw/zinc/36/83/51/179368351.db2.gz OPBDMUBVOJBMBK-YCPHGPKFSA-N 0 3 282.428 2.360 10 0 CEAEHN CN[C@H](CCCOC)c1ccc(OC)cc1OC ZINC000086969916 179370657 /nfs/dbraw/zinc/37/06/57/179370657.db2.gz ATSIVHICOUHGFA-CYBMUJFWSA-N 0 3 253.342 2.391 10 0 CEAEHN Cc1nc([C@@H]2CSCCS2)ncc1[C@H](C)N ZINC000086985383 179373970 /nfs/dbraw/zinc/37/39/70/179373970.db2.gz DMKRGEOXHNWWIM-XVKPBYJWSA-N 0 3 255.412 2.326 10 0 CEAEHN c1nc([C@H]2CSCCO2)sc1CNC1CC1 ZINC000086989831 179374844 /nfs/dbraw/zinc/37/48/44/179374844.db2.gz BJFLZILKOMJUNP-SNVBAGLBSA-N 0 3 256.396 2.200 10 0 CEAEHN COCC1CCN([C@@H](CN)c2ccc(OC)c(F)c2)CC1 ZINC000086992352 179375263 /nfs/dbraw/zinc/37/52/63/179375263.db2.gz PSPSWUFRQOQTAT-HNNXBMFYSA-N 0 3 296.386 2.193 10 0 CEAEHN COc1ccc([C@H]2[C@@H](N)CC(=O)N2CC(C)C)cc1F ZINC000086995288 179375970 /nfs/dbraw/zinc/37/59/70/179375970.db2.gz ARWQQVVLXGJVPO-WFASDCNBSA-N 0 3 280.343 2.091 10 0 CEAEHN Cc1nc[nH]c1CNCC1(O)CCC(C)(C)CC1 ZINC000087048217 179388382 /nfs/dbraw/zinc/38/83/82/179388382.db2.gz IRQNSIAHWIVWDK-UHFFFAOYSA-N 0 3 251.374 2.139 10 0 CEAEHN CC[C@@H]1CNC[C@](C)(Cc2ccc(OC)c(OC)c2)O1 ZINC000087090228 179394271 /nfs/dbraw/zinc/39/42/71/179394271.db2.gz VRRKSFRNKFXELL-CJNGLKHVSA-N 0 3 279.380 2.403 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2cc(OC)ccc2OC)O1 ZINC000087090351 179394396 /nfs/dbraw/zinc/39/43/96/179394396.db2.gz ZUGQZOAYRPUSMD-HZMBPMFUSA-N 0 3 251.326 2.143 10 0 CEAEHN C[C@@H]1CCC[C@](N)(C(=O)NCC2(O)CCCCCC2)C1 ZINC000087089878 179393629 /nfs/dbraw/zinc/39/36/29/179393629.db2.gz ZUACLUATXFYIKD-CZUORRHYSA-N 0 3 282.428 2.096 10 0 CEAEHN CC[C@@H](C)SCc1nc(CNCCOC)c[nH]1 ZINC000087140363 179397586 /nfs/dbraw/zinc/39/75/86/179397586.db2.gz MRWDUOVHBGCYJT-SNVBAGLBSA-N 0 3 257.403 2.177 10 0 CEAEHN CC[C@@H](C)SCc1ncc(CNCCOC)[nH]1 ZINC000087140363 179397589 /nfs/dbraw/zinc/39/75/89/179397589.db2.gz MRWDUOVHBGCYJT-SNVBAGLBSA-N 0 3 257.403 2.177 10 0 CEAEHN Cc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)ccc1Cl ZINC000130443582 365957008 /nfs/dbraw/zinc/95/70/08/365957008.db2.gz HGJBCBXOAPBLPY-CYBMUJFWSA-N 0 3 296.798 2.051 10 0 CEAEHN CCOC(=O)c1cccc([C@@H]2CN(C(C)C)CCN2)c1 ZINC000616631952 348541117 /nfs/dbraw/zinc/54/11/17/348541117.db2.gz BDIPSNHLRAWWCV-HNNXBMFYSA-N 0 3 276.380 2.218 10 0 CEAEHN c1ccc(CN2CCN[C@@H](c3ccccn3)C2)cc1 ZINC000616633089 348542022 /nfs/dbraw/zinc/54/20/22/348542022.db2.gz HWWVTKWRCKFFRI-MRXNPFEDSA-N 0 3 253.349 2.228 10 0 CEAEHN CCOC(=O)c1ccc([C@H]2CNCCN2C(C)C)cc1 ZINC000616637883 348543430 /nfs/dbraw/zinc/54/34/30/348543430.db2.gz SEMNLBNOLADEBG-OAHLLOKOSA-N 0 3 276.380 2.218 10 0 CEAEHN CC(C)N1CCOCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616655975 348549909 /nfs/dbraw/zinc/54/99/09/348549909.db2.gz ONXPEGGPSOIXCQ-GFCCVEGCSA-N 0 3 272.389 2.010 10 0 CEAEHN N[C@H]1CN(C(=O)CC2CC2)CC[C@H]1c1cccc(F)c1 ZINC000616570035 348523550 /nfs/dbraw/zinc/52/35/50/348523550.db2.gz LLKGXOLQWNTFPA-GJZGRUSLSA-N 0 3 276.355 2.269 10 0 CEAEHN CCN[C@@H](c1cc(F)cc(F)c1)[C@H]1COCCO1 ZINC000087858344 179503026 /nfs/dbraw/zinc/50/30/26/179503026.db2.gz FHSAICWAHLCJMV-OLZOCXBDSA-N 0 3 257.280 2.031 10 0 CEAEHN CCN1CCO[C@@H](c2ccccc2NC(C)=O)CC1 ZINC000616593866 348528191 /nfs/dbraw/zinc/52/81/91/348528191.db2.gz MKJPTUQQHPRKRT-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN CC(C)N1CCCOC[C@H]1c1ccccc1CCO ZINC000616598265 348528991 /nfs/dbraw/zinc/52/89/91/348528991.db2.gz VRQWSRJDDZYWKZ-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN CCN1CCCOC[C@H]1c1ccc(NC(C)=O)cc1 ZINC000616596877 348529400 /nfs/dbraw/zinc/52/94/00/348529400.db2.gz JJNZJPXJTXLEAN-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN OCCN1CCC(c2cncc3ccccc32)CC1 ZINC000616609360 348533300 /nfs/dbraw/zinc/53/33/00/348533300.db2.gz SKQRRPBZZDUZHW-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN OCCN1CCC(c2ccc3ccncc3c2)CC1 ZINC000616619794 348536411 /nfs/dbraw/zinc/53/64/11/348536411.db2.gz RDFGMYVBEFVWFP-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN OCCN1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616621661 348537089 /nfs/dbraw/zinc/53/70/89/348537089.db2.gz UWOUZMUEIQHZJN-OAHLLOKOSA-N 0 3 256.349 2.407 10 0 CEAEHN OCCN1CCc2ccccc2[C@@H]1c1ccc(CO)cc1 ZINC000616679167 348558158 /nfs/dbraw/zinc/55/81/58/348558158.db2.gz RDTHWNPPTAMTAN-SFHVURJKSA-N 0 3 283.371 2.119 10 0 CEAEHN CCCCN(C)S(=O)(=O)c1ccc(CNCCC)o1 ZINC000088543549 179620492 /nfs/dbraw/zinc/62/04/92/179620492.db2.gz LRSVXKGTHQQKTF-UHFFFAOYSA-N 0 3 288.413 2.200 10 0 CEAEHN C[C@H]1CCCCC[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000088514777 179616253 /nfs/dbraw/zinc/61/62/53/179616253.db2.gz NOSNRYFHHNHUEQ-VBNZEHGJSA-N 0 3 290.407 2.347 10 0 CEAEHN CNCc1sccc1S(=O)(=O)N(C)CCC(C)C ZINC000088991565 179690161 /nfs/dbraw/zinc/69/01/61/179690161.db2.gz PYPRXSORGOXKRO-UHFFFAOYSA-N 0 3 290.454 2.134 10 0 CEAEHN O=S1(=O)C=C[C@@H](NC2CCC(C(F)(F)F)CC2)C1 ZINC000088854752 179683842 /nfs/dbraw/zinc/68/38/42/179683842.db2.gz PPPXNTQAAQWWLM-UDNWOFFPSA-N 0 3 283.315 2.008 10 0 CEAEHN CCn1nc(C[C@@H](NC)c2cnccn2)c2ccccc21 ZINC000089177563 179742924 /nfs/dbraw/zinc/74/29/24/179742924.db2.gz VRWRTTTYXPTPOF-CQSZACIVSA-N 0 3 281.363 2.349 10 0 CEAEHN CCn1nc(C)cc1Cn1nc(C)c([C@H](C)NC)c1C ZINC000089206594 179754259 /nfs/dbraw/zinc/75/42/59/179754259.db2.gz WDJAYSGFUFBDQO-NSHDSACASA-N 0 3 275.400 2.353 10 0 CEAEHN CC(C)n1cncc1CN[C@@]1(CO)CCC[C@@H](C)C1 ZINC000090209095 179934637 /nfs/dbraw/zinc/93/46/37/179934637.db2.gz SLCJOXOGZLWBFM-HIFRSBDPSA-N 0 3 265.401 2.495 10 0 CEAEHN CN[C@H]1COC[C@H]1c1nc(-c2ccc(F)cc2Cl)no1 ZINC000090423949 179985131 /nfs/dbraw/zinc/98/51/31/179985131.db2.gz SDZUTFZFBAEGJC-KOLCDFICSA-N 0 3 297.717 2.231 10 0 CEAEHN Cc1c(F)cccc1-n1cc(CNCC(C)C)nn1 ZINC000090300164 179953817 /nfs/dbraw/zinc/95/38/17/179953817.db2.gz MPAZTMGXODAIDQ-UHFFFAOYSA-N 0 3 262.332 2.460 10 0 CEAEHN CC(C)c1ccc(-c2noc([C@]3(C)COC[C@H]3N)n2)cc1 ZINC000090573419 180007443 /nfs/dbraw/zinc/00/74/43/180007443.db2.gz UOKQXLAEXJRAPV-CZUORRHYSA-N 0 3 287.363 2.475 10 0 CEAEHN C[C@@]1(c2nc(-c3cccc(Cl)c3)no2)COC[C@H]1N ZINC000090573291 180007665 /nfs/dbraw/zinc/00/76/65/180007665.db2.gz JEQHBEYUJCRTPO-ZWNOBZJWSA-N 0 3 279.727 2.005 10 0 CEAEHN CCn1c2ccc(Cl)cc2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571737 180008012 /nfs/dbraw/zinc/00/80/12/180008012.db2.gz UBJYXKGQMDAPKH-JSGCOSHPSA-N 0 3 279.771 2.325 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)COC[C@H]1N ZINC000090580350 180008712 /nfs/dbraw/zinc/00/87/12/180008712.db2.gz XQMTVMYRFWNFBF-PWSUYJOCSA-N 0 3 289.162 2.296 10 0 CEAEHN CCN(Cc1ccccc1Cl)C(=O)[C@@]1(C)COC[C@@H]1N ZINC000090592303 180010377 /nfs/dbraw/zinc/01/03/77/180010377.db2.gz OQEXHZWMHXHDEE-ZFWWWQNUSA-N 0 3 296.798 2.052 10 0 CEAEHN Cc1cc(OC(C)C)ccc1NC(=O)[C@@]1(C)COC[C@H]1N ZINC000090590078 180010403 /nfs/dbraw/zinc/01/04/03/180010403.db2.gz WDVAKIHCECJIGI-ZBFHGGJFSA-N 0 3 292.379 2.085 10 0 CEAEHN C[C@@H](OCCCC[C@](C)(NC1CC1)C(N)=O)C(F)(F)F ZINC000090674101 180021779 /nfs/dbraw/zinc/02/17/79/180021779.db2.gz CHFIAUKJYKYALV-SKDRFNHKSA-N 0 3 296.333 2.120 10 0 CEAEHN CCN[C@@](CO)(CO[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000090675978 180022545 /nfs/dbraw/zinc/02/25/45/180022545.db2.gz YXWQFZAHLQURRD-AAEUAGOBSA-N 0 3 291.313 2.451 10 0 CEAEHN CC(C)(C)C(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090700524 180027814 /nfs/dbraw/zinc/02/78/14/180027814.db2.gz HSWFAWNHOPYVLF-ZDUSSCGKSA-N 0 3 284.469 2.462 10 0 CEAEHN CCNC(=O)N1CCCSC[C@H]1CN1CCCCC1 ZINC000090701793 180027821 /nfs/dbraw/zinc/02/78/21/180027821.db2.gz AUQXRTUQIVPPSQ-CYBMUJFWSA-N 0 3 285.457 2.009 10 0 CEAEHN COc1cc(N2CCNCc3ccccc32)nc(C)n1 ZINC000090787022 180040701 /nfs/dbraw/zinc/04/07/01/180040701.db2.gz PWWHEZOHKYCUAY-UHFFFAOYSA-N 0 3 270.336 2.035 10 0 CEAEHN COc1ncnc(N2CCNCc3ccccc32)c1C ZINC000090788769 180041223 /nfs/dbraw/zinc/04/12/23/180041223.db2.gz KMEYUYQCFHHAMH-UHFFFAOYSA-N 0 3 270.336 2.035 10 0 CEAEHN CCNCc1ccnn1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090901934 180059928 /nfs/dbraw/zinc/05/99/28/180059928.db2.gz QSLWZAQZHIPYJB-OAHLLOKOSA-N 0 3 271.364 2.305 10 0 CEAEHN NC[C@H](c1ccc(Cl)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905401 180060059 /nfs/dbraw/zinc/06/00/59/180060059.db2.gz OYNAGTCPSWVWAK-HZSPNIEDSA-N 0 3 266.772 2.203 10 0 CEAEHN CCN[C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1OC ZINC000090906086 180061352 /nfs/dbraw/zinc/06/13/52/180061352.db2.gz QTJCOQAFDICVGS-IJEWVQPXSA-N 0 3 290.407 2.209 10 0 CEAEHN Cn1ncc2c1CCC[C@H]2NCc1sccc1N ZINC000090959863 180075713 /nfs/dbraw/zinc/07/57/13/180075713.db2.gz NDZGHYRBNLOTDN-LLVKDONJSA-N 0 3 262.382 2.231 10 0 CEAEHN CCn1nc(C)c(Cl)c1Cn1cccc1CN ZINC000090995125 180082925 /nfs/dbraw/zinc/08/29/25/180082925.db2.gz CDIQXSYDQOYTGZ-UHFFFAOYSA-N 0 3 252.749 2.173 10 0 CEAEHN C[C@H](CO)[C@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000091345108 180137132 /nfs/dbraw/zinc/13/71/32/180137132.db2.gz SVBQBDQPUWMMHY-WOPDTQHZSA-N 0 3 261.369 2.241 10 0 CEAEHN CCCN1C(=O)CCC[C@@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275591 180118835 /nfs/dbraw/zinc/11/88/35/180118835.db2.gz VVXAMCDNRIFIBJ-DOMZBBRYSA-N 0 3 276.384 2.009 10 0 CEAEHN CCC(CC)N(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276269 180120067 /nfs/dbraw/zinc/12/00/67/180120067.db2.gz TWLBYAQFLLALFR-ZDUSSCGKSA-N 0 3 250.390 2.338 10 0 CEAEHN Cn1cncc1COc1cccc(CNC2CC2)c1 ZINC000091278282 180120789 /nfs/dbraw/zinc/12/07/89/180120789.db2.gz NUDHXVLAPZXHSM-UHFFFAOYSA-N 0 3 257.337 2.251 10 0 CEAEHN CCSc1ccccc1NC(=O)C[C@@H]1CNCCO1 ZINC000091300508 180127964 /nfs/dbraw/zinc/12/79/64/180127964.db2.gz LVXDUHYGRWRVIG-LLVKDONJSA-N 0 3 280.393 2.116 10 0 CEAEHN NCc1cncc(O[C@@H]2CCCc3ccccc32)n1 ZINC000091433634 180154324 /nfs/dbraw/zinc/15/43/24/180154324.db2.gz MYXUNAHZHKKJTG-CQSZACIVSA-N 0 3 255.321 2.392 10 0 CEAEHN C[C@H](O)c1ccc(NC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000091433275 180154557 /nfs/dbraw/zinc/15/45/57/180154557.db2.gz CGOFOXOWLFRYIZ-SWLSCSKDSA-N 0 3 291.395 2.298 10 0 CEAEHN CNCc1cc2ccccc2nc1N(C)CC1CC(O)C1 ZINC000091463653 180162192 /nfs/dbraw/zinc/16/21/92/180162192.db2.gz CPLQZVNQGUYXMB-UHFFFAOYSA-N 0 3 285.391 2.161 10 0 CEAEHN CCOc1ccc(C(=O)CN2CCC[C@H](N(C)C)C2)cc1 ZINC000091395052 180146692 /nfs/dbraw/zinc/14/66/92/180146692.db2.gz XYHMHCYNNYNMOL-HNNXBMFYSA-N 0 3 290.407 2.294 10 0 CEAEHN CNCc1cncc(N(C)Cc2ccccc2C)n1 ZINC000091420619 180150865 /nfs/dbraw/zinc/15/08/65/180150865.db2.gz DDSIXENLKXXQGK-UHFFFAOYSA-N 0 3 256.353 2.141 10 0 CEAEHN CN[C@@H](c1ccccc1OC)C(C)(C)N1CCOCC1 ZINC000091566462 180193933 /nfs/dbraw/zinc/19/39/33/180193933.db2.gz CTAXLGNHYXOPNA-HNNXBMFYSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOc1ccccc1[C@@H](NC)C(C)(C)N1CCOCC1 ZINC000091566707 180194731 /nfs/dbraw/zinc/19/47/31/180194731.db2.gz LFFFGKKCQZWBCF-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCn1ccnc1[C@H](NC)[C@@](C)(CC)N1CCOCC1 ZINC000091612657 180207281 /nfs/dbraw/zinc/20/72/81/180207281.db2.gz MWPNYWNQCQKSRQ-GOEBONIOSA-N 0 3 294.443 2.055 10 0 CEAEHN COc1ccc([C@H](N)C(C)(C)N(C)C)c(OC)c1 ZINC000091528366 180179517 /nfs/dbraw/zinc/17/95/17/180179517.db2.gz PEFIUURICOQSHB-ZDUSSCGKSA-N 0 3 252.358 2.044 10 0 CEAEHN CCN[C@H](c1cnccn1)C(C)(C)N(CC)CC ZINC000091531320 180181017 /nfs/dbraw/zinc/18/10/17/180181017.db2.gz ZLBPGJMIWQKYEC-CYBMUJFWSA-N 0 3 250.390 2.248 10 0 CEAEHN CCN[C@H](c1nccn1CC)C(C)(C)N1CCCC1 ZINC000091535714 180182259 /nfs/dbraw/zinc/18/22/59/180182259.db2.gz JLISUKDKZKPWOM-CYBMUJFWSA-N 0 3 264.417 2.428 10 0 CEAEHN CCCCC[C@H](C)N[C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000105021308 186038373 /nfs/dbraw/zinc/03/83/73/186038373.db2.gz IDWKIUQCFCVDMJ-AVGNSLFASA-N 0 3 268.401 2.471 10 0 CEAEHN CCn1nc(C)cc1CC(=O)C1(N(C)C)CCCC1 ZINC000091636075 180211287 /nfs/dbraw/zinc/21/12/87/180211287.db2.gz JNPLUEXIEOSTIK-UHFFFAOYSA-N 0 3 263.385 2.197 10 0 CEAEHN CCN(CC)C1([C@@H](NC)c2cnccn2)CCCC1 ZINC000091639451 180211883 /nfs/dbraw/zinc/21/18/83/180211883.db2.gz RTLGGYKBVGWNGH-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN N[C@@H](c1cncnc1)C1(N2CCCCC2)CCCC1 ZINC000091641845 180213156 /nfs/dbraw/zinc/21/31/56/180213156.db2.gz DOPKRDHONZCEQO-AWEZNQCLSA-N 0 3 260.385 2.275 10 0 CEAEHN Nc1ncccc1CC(=O)C1(N2CCCC2)CCCC1 ZINC000091640081 180213580 /nfs/dbraw/zinc/21/35/80/180213580.db2.gz PWRROCMBPXRQFB-UHFFFAOYSA-N 0 3 273.380 2.184 10 0 CEAEHN C[C@H]1CCC[C@@](C(=O)Cc2cnn(C)c2)(N(C)C)C1 ZINC000091650063 180216655 /nfs/dbraw/zinc/21/66/55/180216655.db2.gz APHHWEUBSMYUPM-SWLSCSKDSA-N 0 3 263.385 2.042 10 0 CEAEHN CN(C)C1(C(=O)Cc2cnn(C)c2)CCCCCC1 ZINC000091653590 180216786 /nfs/dbraw/zinc/21/67/86/180216786.db2.gz KLGIHSNPHKFFBF-UHFFFAOYSA-N 0 3 263.385 2.186 10 0 CEAEHN CCCn1ncnc1CC(=O)C1(N(C)C)CCCCCC1 ZINC000091653684 180217222 /nfs/dbraw/zinc/21/72/22/180217222.db2.gz AHAPTWIFMJIRMK-UHFFFAOYSA-N 0 3 292.427 2.454 10 0 CEAEHN CN[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CN(C)CCO1 ZINC000091717601 180232476 /nfs/dbraw/zinc/23/24/76/180232476.db2.gz GRLBTYBMSOYTPU-OLZOCXBDSA-N 0 3 288.313 2.297 10 0 CEAEHN CCN[C@H](c1cc(C)cc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718233 180233650 /nfs/dbraw/zinc/23/36/50/180233650.db2.gz TZTXYGWAWPPCFZ-HZPDHXFCSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@@H](c1ccccc1F)[C@@H]1CN(C)CCO1 ZINC000091719226 180234187 /nfs/dbraw/zinc/23/41/87/180234187.db2.gz QVCHEJXQOWJQPH-GJZGRUSLSA-N 0 3 266.360 2.197 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1ccccc1Cl ZINC000624235439 350239329 /nfs/dbraw/zinc/23/93/29/350239329.db2.gz KHXTVOQVMMXNGM-XDTLVQLUSA-N 0 3 255.745 2.140 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1ccc(F)c(Cl)c1 ZINC000624235804 350239553 /nfs/dbraw/zinc/23/95/53/350239553.db2.gz PRGXRTREJVMIKY-AQUOVQTQSA-N 0 3 273.735 2.280 10 0 CEAEHN Cc1ccc(NC(=O)Cn2cccc2[C@@H](C)N)cc1 ZINC000091800091 180258977 /nfs/dbraw/zinc/25/89/77/180258977.db2.gz FSEPYYUTRNZGRH-GFCCVEGCSA-N 0 3 257.337 2.455 10 0 CEAEHN CCN[C@@H]1CCCc2sc([C@@H]3CN(C)CCO3)nc21 ZINC000091722550 180239845 /nfs/dbraw/zinc/23/98/45/180239845.db2.gz WQDKGVWAOGCJIM-MNOVXSKESA-N 0 3 281.425 2.133 10 0 CEAEHN CCN(C(=O)c1cccc(C)c1[O-])C1CCC([NH3+])CC1 ZINC000091850181 180272521 /nfs/dbraw/zinc/27/25/21/180272521.db2.gz GWCONZUBVUHNGT-UHFFFAOYSA-N 0 3 276.380 2.433 10 0 CEAEHN CNCc1nc(N2CCOCC2)sc1-c1ccccc1 ZINC000091960252 180292752 /nfs/dbraw/zinc/29/27/52/180292752.db2.gz NOJFGGWXMSZYSP-UHFFFAOYSA-N 0 3 289.404 2.366 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(OC)cc2)C1 ZINC000092053063 180312718 /nfs/dbraw/zinc/31/27/18/180312718.db2.gz SSSMZTXFFLNQLU-BBRMVZONSA-N 0 3 278.396 2.067 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@H](C)C(=O)NCC(C)C ZINC000091994844 180300825 /nfs/dbraw/zinc/30/08/25/180300825.db2.gz YVKRHGBCAYPBDU-CYBMUJFWSA-N 0 3 293.411 2.039 10 0 CEAEHN CCCNCc1nc(C)ccc1O[C@@H](C)C(=O)NCCC ZINC000091995029 180301008 /nfs/dbraw/zinc/30/10/08/180301008.db2.gz IZGCQEAJRNEVKI-ZDUSSCGKSA-N 0 3 293.411 2.183 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000091994963 180301288 /nfs/dbraw/zinc/30/12/88/180301288.db2.gz RVOUOOGPOUJFQH-LBPRGKRZSA-N 0 3 293.411 2.182 10 0 CEAEHN CCCNCc1nc(C)ccc1O[C@@H](C)C(=O)NC(C)C ZINC000091995260 180301816 /nfs/dbraw/zinc/30/18/16/180301816.db2.gz SXOUWKMANJKOQF-ZDUSSCGKSA-N 0 3 293.411 2.182 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1ccc(C)nc1CNC(C)(C)C ZINC000091996058 180302451 /nfs/dbraw/zinc/30/24/51/180302451.db2.gz GTMVWLIOADBIQP-GFCCVEGCSA-N 0 3 293.411 2.182 10 0 CEAEHN Cc1nonc1COc1ccc(C)nc1CNC(C)C ZINC000091995411 180302538 /nfs/dbraw/zinc/30/25/38/180302538.db2.gz KFLMRKJPDLHZCG-UHFFFAOYSA-N 0 3 276.340 2.158 10 0 CEAEHN Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C)ccc1C=O ZINC000092001902 180303784 /nfs/dbraw/zinc/30/37/84/180303784.db2.gz PZMREQGSABNLLR-ZBFHGGJFSA-N 0 3 258.365 2.480 10 0 CEAEHN Cc1nc(N2CC[C@H]3CC[C@@H](C2)N3C)sc1[C@@H](C)O ZINC000092004777 180305715 /nfs/dbraw/zinc/30/57/15/180305715.db2.gz NJKVCZCAXTZFIJ-UTUOFQBUSA-N 0 3 281.425 2.178 10 0 CEAEHN CNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000092023908 180308775 /nfs/dbraw/zinc/30/87/75/180308775.db2.gz MFIOHFRWPFLGEM-CABCVRRESA-N 0 3 273.380 2.037 10 0 CEAEHN Cc1nn(C)c(N2C[C@H](C)[C@@H](C)C2)c1CNC1CC1 ZINC000092086720 180320098 /nfs/dbraw/zinc/32/00/98/180320098.db2.gz CLVYUHLTWSZSES-QWRGUYRKSA-N 0 3 262.401 2.073 10 0 CEAEHN CCNCc1nccn1C[C@@H]1COc2ccccc21 ZINC000092304783 180360206 /nfs/dbraw/zinc/36/02/06/180360206.db2.gz UENVJHFHVTUVHD-GFCCVEGCSA-N 0 3 257.337 2.169 10 0 CEAEHN Cn1nccc1CNC[C@H]1Cc2ccccc2S1 ZINC000092244281 180352112 /nfs/dbraw/zinc/35/21/12/180352112.db2.gz ADJJEXNMYAXWRE-CYBMUJFWSA-N 0 3 259.378 2.227 10 0 CEAEHN CNCc1cnn(C[C@@H]2Cc3ccccc3S2)c1 ZINC000092271202 180355737 /nfs/dbraw/zinc/35/57/37/180355737.db2.gz ACSYUYBBMQFLHP-ZDUSSCGKSA-N 0 3 259.378 2.320 10 0 CEAEHN CCN[C@@H](CN1C(=O)C[C@H](C)C1=O)c1ccc(C)cc1 ZINC000105832531 186075216 /nfs/dbraw/zinc/07/52/16/186075216.db2.gz SKFKZRYCPHVHRB-JSGCOSHPSA-N 0 3 274.364 2.041 10 0 CEAEHN COc1cccc([C@H](CN)NCc2ccccc2)c1OC ZINC000106024073 186098174 /nfs/dbraw/zinc/09/81/74/186098174.db2.gz VMANLXLORUQJEO-HNNXBMFYSA-N 0 3 286.375 2.493 10 0 CEAEHN Cc1nn(C)c(C)c1CNC[C@@H]1Cc2cc(C)ccc2O1 ZINC000092331327 180364255 /nfs/dbraw/zinc/36/42/55/180364255.db2.gz PWAGWYCVPWHQJC-HNNXBMFYSA-N 0 3 285.391 2.439 10 0 CEAEHN CCOC(=O)N[C@H](CN)c1cc(C)nc2ccccc21 ZINC000092344472 180366218 /nfs/dbraw/zinc/36/62/18/180366218.db2.gz VPDNMENVVRXSLQ-CQSZACIVSA-N 0 3 273.336 2.289 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(C[C@@H]2CCCO2)C1 ZINC000105897226 186086090 /nfs/dbraw/zinc/08/60/90/186086090.db2.gz CDVKOHLHYKTFPZ-KBPBESRZSA-N 0 3 263.385 2.261 10 0 CEAEHN Cc1cn2c(CN[C@H](CO)C(C)C)c(C)nc2s1 ZINC000092393213 180375843 /nfs/dbraw/zinc/37/58/43/180375843.db2.gz VMJZVJJGNWAWHF-LLVKDONJSA-N 0 3 267.398 2.119 10 0 CEAEHN COc1ccc([C@H]2CN[C@@H](C(C)C)CO2)c(OC)c1 ZINC000092403149 180378359 /nfs/dbraw/zinc/37/83/59/180378359.db2.gz PNUWTSCFOMESGT-UKRRQHHQSA-N 0 3 265.353 2.389 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450878 180387592 /nfs/dbraw/zinc/38/75/92/180387592.db2.gz POMCEVDWOPSWNC-ZDUSSCGKSA-N 0 3 270.417 2.436 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CC(=O)[O-])C(C)(C)C)CC1 ZINC000092450878 180387594 /nfs/dbraw/zinc/38/75/94/180387594.db2.gz POMCEVDWOPSWNC-ZDUSSCGKSA-N 0 3 270.417 2.436 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000625606846 350535326 /nfs/dbraw/zinc/53/53/26/350535326.db2.gz RMMCCIWCEBHTRH-STQMWFEESA-N 0 3 274.364 2.009 10 0 CEAEHN Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000625606846 350535330 /nfs/dbraw/zinc/53/53/30/350535330.db2.gz RMMCCIWCEBHTRH-STQMWFEESA-N 0 3 274.364 2.009 10 0 CEAEHN CCc1ccc([C@H](C)NCC(C)(C)NS(C)(=O)=O)cc1 ZINC000109041628 186241034 /nfs/dbraw/zinc/24/10/34/186241034.db2.gz GGAICOCGFGZPLL-LBPRGKRZSA-N 0 3 298.452 2.227 10 0 CEAEHN C[C@@H]1CN(c2cc(CN)nc3ccccc32)CCCO1 ZINC000109589525 186264738 /nfs/dbraw/zinc/26/47/38/186264738.db2.gz HISOEAXKEAKNOE-GFCCVEGCSA-N 0 3 271.364 2.309 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=S)NC1CCCCC1 ZINC000109671234 186268301 /nfs/dbraw/zinc/26/83/01/186268301.db2.gz NKRGDDSWXKPRTP-ZDUSSCGKSA-N 0 3 269.458 2.220 10 0 CEAEHN CCc1nc(CCN(CC)CC)nc(NC)c1C ZINC000110467010 186297732 /nfs/dbraw/zinc/29/77/32/186297732.db2.gz DMZZHBCOHOJPLO-UHFFFAOYSA-N 0 3 250.390 2.273 10 0 CEAEHN CCc1nc(-c2ccc(N(C)C)cc2)nc(NN)c1C ZINC000110477665 186298803 /nfs/dbraw/zinc/29/88/03/186298803.db2.gz QKXRXQPRCYYRDB-UHFFFAOYSA-N 0 3 271.368 2.366 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(C)CC1CCCC1)C(=O)[O-] ZINC000110840948 186328883 /nfs/dbraw/zinc/32/88/83/186328883.db2.gz VLLPYXZYZCHIPP-OAHLLOKOSA-N 0 3 270.417 2.341 10 0 CEAEHN COCCCN(CCOC)[C@H](CN)c1ccc(C)c(F)c1 ZINC000110977541 186339031 /nfs/dbraw/zinc/33/90/31/186339031.db2.gz NGRPNKRCDZTRHT-MRXNPFEDSA-N 0 3 298.402 2.119 10 0 CEAEHN CCOc1ccc(N)cc1CN1CCN(C)C(C)(C)C1 ZINC000110704492 186314871 /nfs/dbraw/zinc/31/48/71/186314871.db2.gz AHFJHBBWTRQMQQ-UHFFFAOYSA-N 0 3 277.412 2.194 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(Cl)nc2)CCN1C ZINC000110717564 186315928 /nfs/dbraw/zinc/31/59/28/186315928.db2.gz FYHDNIJDACOFNL-GFCCVEGCSA-N 0 3 253.777 2.261 10 0 CEAEHN NC[C@H](Oc1ccccc1CO)c1cccc(F)c1 ZINC000110993288 186341595 /nfs/dbraw/zinc/34/15/95/186341595.db2.gz GFKDPHIJYDDIAT-HNNXBMFYSA-N 0 3 261.296 2.397 10 0 CEAEHN CC(C)(C)OC(=O)N[C@H](CN)c1cccc(F)c1F ZINC000111037489 186346820 /nfs/dbraw/zinc/34/68/20/186346820.db2.gz ZMZKBVOCUWQRBC-SNVBAGLBSA-N 0 3 272.295 2.489 10 0 CEAEHN CN(C[C@H]1CCCOC1)[C@@H](CN)c1cccc(F)c1F ZINC000111157595 186362816 /nfs/dbraw/zinc/36/28/16/186362816.db2.gz BJYULMLYWKLSPP-RISCZKNCSA-N 0 3 284.350 2.323 10 0 CEAEHN CCCOCCOc1nc(C)cc(C)c1CNC ZINC000111111037 186353887 /nfs/dbraw/zinc/35/38/87/186353887.db2.gz WIHOWMWZFNYYOA-UHFFFAOYSA-N 0 3 252.358 2.223 10 0 CEAEHN CCCOCCOc1cc(CN)nc2ccccc21 ZINC000111110889 186354062 /nfs/dbraw/zinc/35/40/62/186354062.db2.gz YLLVHPKKKCMKKK-UHFFFAOYSA-N 0 3 260.337 2.499 10 0 CEAEHN CCNc1cc(CN(CC)CCOCC)ccn1 ZINC000111122304 186354334 /nfs/dbraw/zinc/35/43/34/186354334.db2.gz HIMSDIGPVNJEOS-UHFFFAOYSA-N 0 3 251.374 2.372 10 0 CEAEHN CNc1nc2ccccc2cc1CN(C)CCN(C)C ZINC000111146103 186358351 /nfs/dbraw/zinc/35/83/51/186358351.db2.gz QDNQBUMBDQEIIN-UHFFFAOYSA-N 0 3 272.396 2.270 10 0 CEAEHN CN(C)CCN(C)c1nnc(Cl)c2ccccc21 ZINC000111144345 186358685 /nfs/dbraw/zinc/35/86/85/186358685.db2.gz IHQRKZKHSLXERH-UHFFFAOYSA-N 0 3 264.760 2.281 10 0 CEAEHN CNCc1c(C)cc(C)nc1N(C)CC1CCOCC1 ZINC000111174373 186365573 /nfs/dbraw/zinc/36/55/73/186365573.db2.gz VPYGVUPRYWMCAM-UHFFFAOYSA-N 0 3 277.412 2.281 10 0 CEAEHN NCc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)nc1 ZINC000111281620 186388331 /nfs/dbraw/zinc/38/83/31/186388331.db2.gz YDSRLPLDSGYDLC-UKRRQHHQSA-N 0 3 273.380 2.335 10 0 CEAEHN N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CC1CCCC1 ZINC000111367201 186406787 /nfs/dbraw/zinc/40/67/87/186406787.db2.gz HJBGHYIQJOEEIQ-GDBMZVCRSA-N 0 3 258.365 2.308 10 0 CEAEHN CC(C)c1cc(N2CCNCC2)nc(-c2cccnc2)n1 ZINC000070451646 363083524 /nfs/dbraw/zinc/08/35/24/363083524.db2.gz ZQWKAUBVZRXDIG-UHFFFAOYSA-N 0 3 283.379 2.072 10 0 CEAEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3cccn3C)C2)n1 ZINC000122027004 187011093 /nfs/dbraw/zinc/01/10/93/187011093.db2.gz JKVAXALGAUSPSV-OAHLLOKOSA-N 0 3 287.411 2.146 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@@H](C2CC2)NC[C@H]1C1CC1 ZINC000071372365 363108412 /nfs/dbraw/zinc/10/84/12/363108412.db2.gz LJTPAFSSEODCRE-STQMWFEESA-N 0 3 266.385 2.384 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000236939703 370659886 /nfs/dbraw/zinc/65/98/86/370659886.db2.gz CPDBXPGCDHJNFJ-NSHDSACASA-N 0 3 263.341 2.019 10 0 CEAEHN Cc1cc(C)c(O)c(NC(=O)[C@H](N)CC(C)C)c1 ZINC000094574398 539882522 /nfs/dbraw/zinc/88/25/22/539882522.db2.gz VHXUFWOUWATOKC-LLVKDONJSA-N 0 3 250.342 2.321 10 0 CEAEHN CC(C)(C)c1csc(Cn2cc(C(C)(C)N)nn2)n1 ZINC000094976041 539887730 /nfs/dbraw/zinc/88/77/30/539887730.db2.gz DMXBLLVOUQQPQP-UHFFFAOYSA-N 0 3 279.413 2.274 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2)cc1F ZINC000094956563 539888553 /nfs/dbraw/zinc/88/85/53/539888553.db2.gz KBSONPLWBFACHM-RISCZKNCSA-N 0 3 264.344 2.453 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1cccc(OC)c1)N(C)C ZINC000136237775 187872642 /nfs/dbraw/zinc/87/26/42/187872642.db2.gz QWORHBHQJHMISV-HNNXBMFYSA-N 0 3 278.396 2.084 10 0 CEAEHN Cc1ccccc1OCCCN1CCO[C@@H](CN(C)C)C1 ZINC000155343324 188199810 /nfs/dbraw/zinc/19/98/10/188199810.db2.gz KMPWCQURNUBIIH-INIZCTEOSA-N 0 3 292.423 2.026 10 0 CEAEHN CCOC(=O)c1csc(N(C)C[C@H]2CCCN2CC)n1 ZINC000133161932 366201549 /nfs/dbraw/zinc/20/15/49/366201549.db2.gz GWWJXVCEDLQCNB-LLVKDONJSA-N 0 3 297.424 2.240 10 0 CEAEHN O=C(Nc1nc(C2CC2)cs1)N1CCN2CCC[C@@H]2C1 ZINC000171807694 188761185 /nfs/dbraw/zinc/76/11/85/188761185.db2.gz GYCQFYXFMFQUOF-LLVKDONJSA-N 0 3 292.408 2.332 10 0 CEAEHN CCCN(C)[S@](=O)(=NCC)c1ccc(N)cc1 ZINC000675076794 540117935 /nfs/dbraw/zinc/11/79/35/540117935.db2.gz ZOGKKEYNKOBTEV-QGZVFWFLSA-N 0 3 255.387 2.372 10 0 CEAEHN CC(C)(C)OC(=O)c1cc2c(cc1F)CCNC2 ZINC000675074430 540115744 /nfs/dbraw/zinc/11/57/44/540115744.db2.gz XFBIQFOILXFNDU-UHFFFAOYSA-N 0 3 251.301 2.427 10 0 CEAEHN CN1C[C@H](NCc2ccc(Br)o2)C(C)(C)C1 ZINC000675076389 540117552 /nfs/dbraw/zinc/11/75/52/540117552.db2.gz VXTNRRIMUPRTLZ-JTQLQIEISA-N 0 3 287.201 2.472 10 0 CEAEHN COc1c(CNCCCOc2ccccc2)c(C)nn1C ZINC000134113511 366288486 /nfs/dbraw/zinc/28/84/86/366288486.db2.gz FBAGSHHYKGPZFV-UHFFFAOYSA-N 0 3 289.379 2.296 10 0 CEAEHN NC1(c2ccc(I)cn2)CCCC1 ZINC000575559112 366296539 /nfs/dbraw/zinc/29/65/39/366296539.db2.gz FRBBFEONPQZKBH-UHFFFAOYSA-N 0 3 288.132 2.414 10 0 CEAEHN C[C@H]1C[C@@H]1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000075959442 363502551 /nfs/dbraw/zinc/50/25/51/363502551.db2.gz DFYWSGFGEVNSFB-BBRMVZONSA-N 0 3 287.407 2.359 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405054019 540278470 /nfs/dbraw/zinc/27/84/70/540278470.db2.gz FJUFEYBJSFTBOW-NXEZZACHSA-N 0 3 260.328 2.008 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405054025 540278663 /nfs/dbraw/zinc/27/86/63/540278663.db2.gz FJUFEYBJSFTBOW-VHSXEESVSA-N 0 3 260.328 2.008 10 0 CEAEHN C[C@H]1C[C@H](NC(=O)N2CCN3CCC[C@H]3C2)C[C@@H](C)C1 ZINC000246757516 291137298 /nfs/dbraw/zinc/13/72/98/291137298.db2.gz AGFMSQULQKPGBP-YJNKXOJESA-N 0 3 279.428 2.301 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1nccs1 ZINC000135127169 366399582 /nfs/dbraw/zinc/39/95/82/366399582.db2.gz QLEAABMEXOQKAQ-LBPRGKRZSA-N 0 3 262.382 2.313 10 0 CEAEHN CN(CCOc1ccc(F)cc1)C(=O)[C@@]1(C)CCCCN1 ZINC000136149056 366498809 /nfs/dbraw/zinc/49/88/09/366498809.db2.gz UFIHDIZDTUJQSZ-MRXNPFEDSA-N 0 3 294.370 2.195 10 0 CEAEHN CCC1CCC(NC(=O)NC2CCN(C)CC2)CC1 ZINC000079854794 363631489 /nfs/dbraw/zinc/63/14/89/363631489.db2.gz CWJCQQAMHFLERR-UHFFFAOYSA-N 0 3 267.417 2.349 10 0 CEAEHN CN(C[C@H]1OCCc2ccccc21)[C@@H]1CCC[C@H]1O ZINC000671715930 540491303 /nfs/dbraw/zinc/49/13/03/540491303.db2.gz DMWOTDGTIQYVLG-BZUAXINKSA-N 0 3 261.365 2.146 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000177462410 189052536 /nfs/dbraw/zinc/05/25/36/189052536.db2.gz LKQLFTNOBVIYBY-OAHLLOKOSA-N 0 3 272.392 2.172 10 0 CEAEHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000081900134 363745788 /nfs/dbraw/zinc/74/57/88/363745788.db2.gz ASOFLZOOWCLAOA-LPEHRKFASA-N 0 3 287.347 2.130 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1c1ncc(F)cn1 ZINC000676563415 540935048 /nfs/dbraw/zinc/93/50/48/540935048.db2.gz DJEPNDOZJZCTPZ-CHWSQXEVSA-N 0 3 264.348 2.069 10 0 CEAEHN CCOCCN1CCN(Cc2ncccc2C)C[C@@H]1CC ZINC000180477492 189257838 /nfs/dbraw/zinc/25/78/38/189257838.db2.gz AEOQPAVIMPPSKM-INIZCTEOSA-N 0 3 291.439 2.323 10 0 CEAEHN C[C@@H](NC[C@H](O)Cn1cccn1)c1ccc(F)c(Cl)c1 ZINC000180738223 189272543 /nfs/dbraw/zinc/27/25/43/189272543.db2.gz FRHKMKXILJCGBG-PWSUYJOCSA-N 0 3 297.761 2.387 10 0 CEAEHN C[C@@H](NC[C@@H](O)Cn1cccn1)c1ccc(F)c(Cl)c1 ZINC000180738254 189272646 /nfs/dbraw/zinc/27/26/46/189272646.db2.gz FRHKMKXILJCGBG-ZYHUDNBSSA-N 0 3 297.761 2.387 10 0 CEAEHN CO[C@@H](C)CCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000180852934 189280309 /nfs/dbraw/zinc/28/03/09/189280309.db2.gz UFEJZJZPYVRDFM-DZGCQCFKSA-N 0 3 278.396 2.221 10 0 CEAEHN COc1ccc([C@H](C)NCC[C@H]2CCOC2=O)cc1OC ZINC000180886478 189281631 /nfs/dbraw/zinc/28/16/31/189281631.db2.gz JXJMORUKOWSUHY-RYUDHWBXSA-N 0 3 293.363 2.308 10 0 CEAEHN Cc1ccc([C@H](C)CCN2CCc3nncn3CC2)o1 ZINC000012131834 361372793 /nfs/dbraw/zinc/37/27/93/361372793.db2.gz WOIUTKKQXJUDBA-GFCCVEGCSA-N 0 3 274.368 2.231 10 0 CEAEHN COc1ccc(CCNC(=O)CN2CCC[C@@H](C)C2)cc1 ZINC000015256902 361468680 /nfs/dbraw/zinc/46/86/80/361468680.db2.gz SMNXITCBKCCJGW-CQSZACIVSA-N 0 3 290.407 2.086 10 0 CEAEHN Cc1cc(N[C@H]2CCS(=O)(=O)C2)c2ccccc2n1 ZINC000019403384 361530661 /nfs/dbraw/zinc/53/06/61/361530661.db2.gz MSBQJNUOHFATMA-NSHDSACASA-N 0 3 276.361 2.142 10 0 CEAEHN C[C@H]1CO[C@@H](c2ccc(Br)cc2)CN1 ZINC000032108958 361726530 /nfs/dbraw/zinc/72/65/30/361726530.db2.gz BTSSUSWSXIZMSK-GZMMTYOYSA-N 0 3 256.143 2.499 10 0 CEAEHN CC(C)Cc1ccc(CN[C@@H]2CCCNC2=O)cc1 ZINC000088296658 363888484 /nfs/dbraw/zinc/88/84/84/363888484.db2.gz ZQUYOQLBDGVHNH-OAHLLOKOSA-N 0 3 260.381 2.253 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1cccc2c1OCCCO2 ZINC000089164767 363944027 /nfs/dbraw/zinc/94/40/27/363944027.db2.gz GMXMLIRDCDJLOS-TZMCWYRMSA-N 0 3 277.364 2.099 10 0 CEAEHN CCn1cc(CN2CC[C@H](CNc3ccccn3)C2)cn1 ZINC000092812502 364109326 /nfs/dbraw/zinc/10/93/26/364109326.db2.gz CJFGJRMOLFOAEO-CQSZACIVSA-N 0 3 285.395 2.232 10 0 CEAEHN Cc1nn(C)cc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000092812425 364110936 /nfs/dbraw/zinc/11/09/36/364110936.db2.gz UOGQKLWOLBASRO-CQSZACIVSA-N 0 3 285.395 2.058 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(Cc2ncccc2C)C1 ZINC000093170037 364145979 /nfs/dbraw/zinc/14/59/79/364145979.db2.gz BPOYBPWVHYXDHE-CQSZACIVSA-N 0 3 285.395 2.381 10 0 CEAEHN Cc1nc2ccccc2n1CCNCc1cnn(C)c1C ZINC000093649354 364209141 /nfs/dbraw/zinc/20/91/41/364209141.db2.gz SNHLIRRHXLLWTP-UHFFFAOYSA-N 0 3 283.379 2.176 10 0 CEAEHN CC(C)(C)OC(=O)N1CCN[C@@H]2CCCC[C@H]2C1 ZINC000095215334 364341675 /nfs/dbraw/zinc/34/16/75/364341675.db2.gz HRQAUZRRQQJTJN-NWDGAFQWSA-N 0 3 254.374 2.386 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(CCCCCOC)C1 ZINC000103227776 364633740 /nfs/dbraw/zinc/63/37/40/364633740.db2.gz MNBUJWZWVRPIKS-CQSZACIVSA-N 0 3 270.417 2.184 10 0 CEAEHN CCN1CCC[C@@H](Nc2cc(N3CCCCC3)ncn2)C1 ZINC000112075891 364772457 /nfs/dbraw/zinc/77/24/57/364772457.db2.gz WAXKPEZZMGNLPC-CQSZACIVSA-N 0 3 289.427 2.363 10 0 CEAEHN CCn1cc(CN[C@H](CN(C)C)c2ccccc2)cn1 ZINC000112095801 364773624 /nfs/dbraw/zinc/77/36/24/364773624.db2.gz PNHLVVFDTFJYKM-MRXNPFEDSA-N 0 3 272.396 2.296 10 0 CEAEHN COCc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000113225354 364876837 /nfs/dbraw/zinc/87/68/37/364876837.db2.gz IMJQLZYJNOPJKX-CZUORRHYSA-N 0 3 288.391 2.142 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccccc2Cl)C1 ZINC000113266858 364880920 /nfs/dbraw/zinc/88/09/20/364880920.db2.gz IKMKGWFCUUQHEN-ZDUSSCGKSA-N 0 3 268.788 2.150 10 0 CEAEHN C[C@H]1CCN[C@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000335600311 212312694 /nfs/dbraw/zinc/31/26/94/212312694.db2.gz IXUDXEAUYTZOKE-AAEUAGOBSA-N 0 3 293.436 2.237 10 0 CEAEHN CN1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116521533 365060458 /nfs/dbraw/zinc/06/04/58/365060458.db2.gz OUOVMAVBTORUNZ-CYBMUJFWSA-N 0 3 277.368 2.220 10 0 CEAEHN CCCCCC[C@H](C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117024018 365088987 /nfs/dbraw/zinc/08/89/87/365088987.db2.gz RLRLFSHNHFRUKI-GJZGRUSLSA-N 0 3 299.459 2.317 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000118330094 365149385 /nfs/dbraw/zinc/14/93/85/365149385.db2.gz XZAYIHJESMLHPM-DGCLKSJQSA-N 0 3 276.405 2.038 10 0 CEAEHN CSc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)ccn1 ZINC000159020724 366870185 /nfs/dbraw/zinc/87/01/85/366870185.db2.gz MGZMMCUYOZMGMN-AAEUAGOBSA-N 0 3 293.436 2.262 10 0 CEAEHN CS[C@H](C)CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000120786150 365474962 /nfs/dbraw/zinc/47/49/62/365474962.db2.gz QUPNSNNJEHFGTM-TZMCWYRMSA-N 0 3 295.452 2.340 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1cc(F)ccc1F ZINC000282417539 299360036 /nfs/dbraw/zinc/36/00/36/299360036.db2.gz QPEYMUYURAILLW-MWODSPESSA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@H]1COC[C@H](C)N1CCCCCn1cccn1 ZINC000120827950 365481901 /nfs/dbraw/zinc/48/19/01/365481901.db2.gz ULPJWQNNKOVMSI-KBPBESRZSA-N 0 3 251.374 2.163 10 0 CEAEHN COc1c(CN[C@@H](C)CC2CCC2)c(C)nn1C ZINC000680857307 541464263 /nfs/dbraw/zinc/46/42/63/541464263.db2.gz HQBADJFPUXEXAH-JTQLQIEISA-N 0 3 251.374 2.405 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](C)N(C)c1ccccc1)N(C)C ZINC000161584783 367099941 /nfs/dbraw/zinc/09/99/41/367099941.db2.gz RAAKBJVFSXVGPF-ZBFHGGJFSA-N 0 3 291.439 2.358 10 0 CEAEHN CC(=O)Nc1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000245554862 370838810 /nfs/dbraw/zinc/83/88/10/370838810.db2.gz HKXSAIAYTIOADI-KRWDZBQOSA-N 0 3 287.407 2.315 10 0 CEAEHN CC(C)(C)c1nnc(N2CCN3CCC[C@H]3C2)s1 ZINC000245683572 370857121 /nfs/dbraw/zinc/85/71/21/370857121.db2.gz LOPPDMDKNBXJHB-JTQLQIEISA-N 0 3 266.414 2.120 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000170863684 367433811 /nfs/dbraw/zinc/43/38/11/367433811.db2.gz FSLRZJOPSFUXRM-GFCCVEGCSA-N 0 3 286.297 2.482 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000170861951 367434545 /nfs/dbraw/zinc/43/45/45/367434545.db2.gz HCXXZMYVGMFYRN-LLVKDONJSA-N 0 3 284.306 2.064 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cccc3cccnc32)C1 ZINC000170874736 367437482 /nfs/dbraw/zinc/43/74/82/367437482.db2.gz HUHDEQIYHZUHMH-ZDUSSCGKSA-N 0 3 284.363 2.403 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2nc3ccccc3s2)C1 ZINC000170874644 367438451 /nfs/dbraw/zinc/43/84/51/367438451.db2.gz GPIZWHWPJXRTFZ-JTQLQIEISA-N 0 3 290.392 2.464 10 0 CEAEHN CC[C@H]1CN([C@H]2C=CCCC2)CCN1CCOC ZINC000171746203 367608382 /nfs/dbraw/zinc/60/83/82/367608382.db2.gz CIEYKLRKRBGACY-GJZGRUSLSA-N 0 3 252.402 2.138 10 0 CEAEHN C[C@H](c1ccncc1)N(C)C[C@@H](O)COC(C)(C)C ZINC000245744758 370868195 /nfs/dbraw/zinc/86/81/95/370868195.db2.gz GNSRSKCKACCXKK-TZMCWYRMSA-N 0 3 266.385 2.250 10 0 CEAEHN C[C@@H]1CN(CCCCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000172646821 367792618 /nfs/dbraw/zinc/79/26/18/367792618.db2.gz CHENLEJJGDJIBT-VQHPVUNQSA-N 0 3 298.471 2.375 10 0 CEAEHN Cc1[nH]ccc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000175118708 368102803 /nfs/dbraw/zinc/10/28/03/368102803.db2.gz KZNZKDXPVISEOE-HNNXBMFYSA-N 0 3 271.364 2.356 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCCCSC ZINC000177525697 368270076 /nfs/dbraw/zinc/27/00/76/368270076.db2.gz AWYFNXLWLKYULR-CYBMUJFWSA-N 0 3 287.473 2.255 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N(CCN(C)C)C2CCCCC2)O1 ZINC000178260305 368294477 /nfs/dbraw/zinc/29/44/77/368294477.db2.gz CPLIDMMVUCKWOA-HIFRSBDPSA-N 0 3 282.428 2.277 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2cc(C)ccc2OC)C1 ZINC000163854911 541680666 /nfs/dbraw/zinc/68/06/66/541680666.db2.gz IPUZIROTPTZZMJ-GJZGRUSLSA-N 0 3 292.423 2.375 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCCC[C@@H](SC)C2)C1 ZINC000246181399 370922783 /nfs/dbraw/zinc/92/27/83/370922783.db2.gz JHDJORZKTGSKLZ-ZIAGYGMSSA-N 0 3 299.484 2.398 10 0 CEAEHN CCOC(=O)CCCCN1CCO[C@H]2CCCC[C@H]21 ZINC000246201672 370926531 /nfs/dbraw/zinc/92/65/31/370926531.db2.gz NVTSAPPDKWBTOT-KGLIPLIRSA-N 0 3 269.385 2.363 10 0 CEAEHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2C[C@@H]2C)cc1 ZINC000185342671 368791408 /nfs/dbraw/zinc/79/14/08/368791408.db2.gz CMFSSWNXUDLUCQ-OBJOEFQTSA-N 0 3 267.394 2.155 10 0 CEAEHN CCC[C@@H](N[C@H]1CCc2ncnn2C1)c1cccnc1 ZINC000185993468 368901762 /nfs/dbraw/zinc/90/17/62/368901762.db2.gz QCDBBCOJOMXKBL-UONOGXRCSA-N 0 3 271.368 2.119 10 0 CEAEHN COc1ccsc1[C@H](C)N[C@H]1CCc2ncnn2C1 ZINC000186207381 368937664 /nfs/dbraw/zinc/93/76/64/368937664.db2.gz OYWSTTIOBJXIKB-UWVGGRQHSA-N 0 3 278.381 2.014 10 0 CEAEHN O=S1(=O)CCC[C@H](N[C@H]2CCOc3ccccc32)CC1 ZINC000634950329 368985546 /nfs/dbraw/zinc/98/55/46/368985546.db2.gz PHWZZCILBFDUID-JSGCOSHPSA-N 0 3 295.404 2.067 10 0 CEAEHN CCOC(=O)CCCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188081310 369292043 /nfs/dbraw/zinc/29/20/43/369292043.db2.gz FJGJRKXVVPDWCU-KBPBESRZSA-N 0 3 297.420 2.099 10 0 CEAEHN Cc1ccccc1-c1nc(CN2CCN3CCC[C@H]3C2)no1 ZINC000246568932 370978643 /nfs/dbraw/zinc/97/86/43/370978643.db2.gz AMQIBVJMULFVOE-AWEZNQCLSA-N 0 3 298.390 2.325 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1OC ZINC000246645018 370988534 /nfs/dbraw/zinc/98/85/34/370988534.db2.gz VYFWCTYBHDBWQR-KGLIPLIRSA-N 0 3 288.391 2.394 10 0 CEAEHN COCCO[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000189674931 369557293 /nfs/dbraw/zinc/55/72/93/369557293.db2.gz JXZRXPVUMQDZPE-MRXNPFEDSA-N 0 3 286.375 2.472 10 0 CEAEHN CCC(=O)CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000190242472 369607774 /nfs/dbraw/zinc/60/77/74/369607774.db2.gz QCPVHPNJHYAJHN-ZDUSSCGKSA-N 0 3 261.369 2.185 10 0 CEAEHN C[C@H](O)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000192998850 369881601 /nfs/dbraw/zinc/88/16/01/369881601.db2.gz STDCRDRVCJGHAD-SMDDNHRTSA-N 0 3 265.328 2.244 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1c[nH]nc1C(C)C ZINC000193665820 369968949 /nfs/dbraw/zinc/96/89/49/369968949.db2.gz YSSOWFVRZFKLJI-LBPRGKRZSA-N 0 3 278.400 2.089 10 0 CEAEHN C[C@@H]1COCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000193896520 369990337 /nfs/dbraw/zinc/99/03/37/369990337.db2.gz GSYUWDXFUUIBQT-BMFZPTHFSA-N 0 3 290.407 2.078 10 0 CEAEHN COc1cc(C)nc(CN[C@H](CC(C)C)CN(C)C)c1 ZINC000214142691 370172028 /nfs/dbraw/zinc/17/20/28/370172028.db2.gz LRLDZOGMWMFLNF-OAHLLOKOSA-N 0 3 279.428 2.465 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000637892933 370151982 /nfs/dbraw/zinc/15/19/82/370151982.db2.gz DQBPGRGXRFVUPY-VXGBXAGGSA-N 0 3 264.369 2.179 10 0 CEAEHN NC[C@H](O)c1c(Cl)cccc1Br ZINC000218031727 370203623 /nfs/dbraw/zinc/20/36/23/370203623.db2.gz ASGYLANWWHOIHM-ZETCQYMHSA-N 0 3 250.523 2.095 10 0 CEAEHN C[C@]1(C(=O)NCC[C@@H]2CC=CCC2)CCCCN1 ZINC000638600932 370630721 /nfs/dbraw/zinc/63/07/21/370630721.db2.gz LMJZBZBPMRKBFL-UKRRQHHQSA-N 0 3 250.386 2.381 10 0 CEAEHN CC(C)CCSCC(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000246815418 371014801 /nfs/dbraw/zinc/01/48/01/371014801.db2.gz CHJBVNPEXVIBNV-KBPBESRZSA-N 0 3 284.469 2.461 10 0 CEAEHN Cn1cc([C@@H]2CCN(C[C@@H](O)c3ccc(F)cc3)C2)cn1 ZINC000247037852 371052181 /nfs/dbraw/zinc/05/21/81/371052181.db2.gz NVGYVPOMCNUDMU-CZUORRHYSA-N 0 3 289.354 2.082 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1nc(C(C)(C)C)no1 ZINC000247042646 371054280 /nfs/dbraw/zinc/05/42/80/371054280.db2.gz GRYAJAXCJHVINF-NEPJUHHUSA-N 0 3 278.400 2.036 10 0 CEAEHN CC[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247221479 371078827 /nfs/dbraw/zinc/07/88/27/371078827.db2.gz OEGKSVWPVJFGEJ-ILXRZTDVSA-N 0 3 279.428 2.445 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC000247292782 371089296 /nfs/dbraw/zinc/08/92/96/371089296.db2.gz KXASRPQXCMUJOC-IINYFYTJSA-N 0 3 282.334 2.423 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000247527821 371121190 /nfs/dbraw/zinc/12/11/90/371121190.db2.gz XGJYALZZOPFZKE-WFASDCNBSA-N 0 3 283.375 2.477 10 0 CEAEHN CC[C@H]1CN(Cc2ccccc2F)CCN1C[C@H](C)O ZINC000247583678 371128223 /nfs/dbraw/zinc/12/82/23/371128223.db2.gz ITKZFDYNXQNGLH-ZFWWWQNUSA-N 0 3 280.387 2.103 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000054073176 541841224 /nfs/dbraw/zinc/84/12/24/541841224.db2.gz OTGRWQRVTDTJPC-DTWKUNHWSA-N 0 3 285.185 2.234 10 0 CEAEHN CO[C@@H](C)CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000248440954 371194950 /nfs/dbraw/zinc/19/49/50/371194950.db2.gz UXPDKUZOUFGMMF-UONOGXRCSA-N 0 3 298.452 2.088 10 0 CEAEHN C[C@H](c1cnccn1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248599240 371219941 /nfs/dbraw/zinc/21/99/41/371219941.db2.gz BQYVZAFMIVDGMT-VNHYZAJKSA-N 0 3 261.369 2.165 10 0 CEAEHN C[C@@H](O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000248657685 371231973 /nfs/dbraw/zinc/23/19/73/371231973.db2.gz STDCRDRVCJGHAD-RISCZKNCSA-N 0 3 265.328 2.244 10 0 CEAEHN CCO[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249842856 371367229 /nfs/dbraw/zinc/36/72/29/371367229.db2.gz YQMBLJZLTHWPME-HOTGVXAUSA-N 0 3 288.391 2.071 10 0 CEAEHN CN1CC[C@H](N)[C@H]1c1ccc(Br)s1 ZINC000250598300 371387924 /nfs/dbraw/zinc/38/79/24/371387924.db2.gz JHVOODYTMGTXRV-RCOVLWMOSA-N 0 3 261.188 2.215 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(F)c(OC)cc1F ZINC000237005128 189858452 /nfs/dbraw/zinc/85/84/52/189858452.db2.gz NXDYLYBLLKHXLU-JMCQJSRRSA-N 0 3 272.295 2.285 10 0 CEAEHN Cc1nn(C)c(Cl)c1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252662133 371463786 /nfs/dbraw/zinc/46/37/86/371463786.db2.gz UZBGJJQIEPGCQX-YPMHNXCESA-N 0 3 296.846 2.441 10 0 CEAEHN CCn1cc(CN2CCC3(CC[C@H]3OC)CC2)cn1 ZINC000257183799 371605318 /nfs/dbraw/zinc/60/53/18/371605318.db2.gz SGRCQSNUAPYBQP-CQSZACIVSA-N 0 3 263.385 2.294 10 0 CEAEHN CC(C)CCC[C@@H](C)NC(=O)[C@H](N)C1CCOCC1 ZINC000261860827 371752744 /nfs/dbraw/zinc/75/27/44/371752744.db2.gz SGJWGSHMCZHVLO-TZMCWYRMSA-N 0 3 270.417 2.071 10 0 CEAEHN Cc1cc(C)cc([C@H](C)NC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261928270 371775647 /nfs/dbraw/zinc/77/56/47/371775647.db2.gz ZPHNMGJFOWPDKZ-BBRMVZONSA-N 0 3 290.407 2.235 10 0 CEAEHN C[S@](=O)c1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000262429093 371860406 /nfs/dbraw/zinc/86/04/06/371860406.db2.gz IQLMMGQULKDTON-IBGZPJMESA-N 0 3 280.393 2.024 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000263466694 371938277 /nfs/dbraw/zinc/93/82/77/371938277.db2.gz CTWOJDVEVJDUKP-RYSNWHEDSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000262647430 371891988 /nfs/dbraw/zinc/89/19/88/371891988.db2.gz SNAYGKUIVCCNQE-APHBMKBZSA-N 0 3 274.408 2.497 10 0 CEAEHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1cncc(F)c1 ZINC000269026060 372316191 /nfs/dbraw/zinc/31/61/91/372316191.db2.gz QWJPZJNYMYIZFR-MJVIPROJSA-N 0 3 252.333 2.422 10 0 CEAEHN C[C@H](N[C@H]1CCCn2ncnc21)C1CCSCC1 ZINC000187286050 321757897 /nfs/dbraw/zinc/75/78/97/321757897.db2.gz XYIRBEVILGCWLP-JQWIXIFHSA-N 0 3 266.414 2.234 10 0 CEAEHN CCCCc1ccc(NC(=O)[C@@H]2CNCCOC2)cc1 ZINC000643615843 373222745 /nfs/dbraw/zinc/22/27/45/373222745.db2.gz ZDODLQRUHVBNPI-CQSZACIVSA-N 0 3 276.380 2.204 10 0 CEAEHN CC(C)CCN(C(=O)[C@@H]1CNCCOC1)C1CCCC1 ZINC000643642830 373228770 /nfs/dbraw/zinc/22/87/70/373228770.db2.gz YZGODNRGARHVCA-CQSZACIVSA-N 0 3 282.428 2.040 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@H]2NCC2(C)C)c(C)c1 ZINC000644017838 373342556 /nfs/dbraw/zinc/34/25/56/373342556.db2.gz XTOKRNRJGJCGJQ-GXTWGEPZSA-N 0 3 260.381 2.479 10 0 CEAEHN CCN1CC[C@@H](N[C@H](C)c2c(C)nn(CC)c2C)C1 ZINC000389283656 375301672 /nfs/dbraw/zinc/30/16/72/375301672.db2.gz VIEWRJIFOCTDGP-BXUZGUMPSA-N 0 3 264.417 2.265 10 0 CEAEHN CCN1CC[C@H](NCc2cccc3c2OCCCO3)C1 ZINC000389456887 375304305 /nfs/dbraw/zinc/30/43/05/375304305.db2.gz RMPGYSJZGJOIOB-AWEZNQCLSA-N 0 3 276.380 2.032 10 0 CEAEHN CC(C)Oc1ccccc1CN[C@@H]1CCC(=O)N[C@@H]1C ZINC000282406009 375476553 /nfs/dbraw/zinc/47/65/53/375476553.db2.gz PYKQXZPSVMFUGY-TZMCWYRMSA-N 0 3 276.380 2.231 10 0 CEAEHN CC(C)Oc1cccc(CN[C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282516111 375505130 /nfs/dbraw/zinc/50/51/30/375505130.db2.gz XWTQOZUHKYPWLT-DOMZBBRYSA-N 0 3 276.380 2.231 10 0 CEAEHN CCCCOC[C@H](O)CN1CC(C)(C)OC(C)(C)C1 ZINC000311401758 376667253 /nfs/dbraw/zinc/66/72/53/376667253.db2.gz SSAJQSAIQNLDKB-CYBMUJFWSA-N 0 3 273.417 2.053 10 0 CEAEHN CCc1nn(C)cc1CN1CCC[C@H]1Cn1ccnc1C ZINC000180615029 542265897 /nfs/dbraw/zinc/26/58/97/542265897.db2.gz HQEWDQIGWKRLIP-HNNXBMFYSA-N 0 3 287.411 2.152 10 0 CEAEHN C[C@H]1COC[C@H](C)N1CCN(C)Cc1ccc(F)cc1 ZINC000181714907 542274791 /nfs/dbraw/zinc/27/47/91/542274791.db2.gz PVVFLCYGUNVDMA-KBPBESRZSA-N 0 3 280.387 2.367 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C\c2scnc2C)C1 ZINC000492717846 380665546 /nfs/dbraw/zinc/66/55/46/380665546.db2.gz RRLBBIQHBAEPCU-ZHRWSRJISA-N 0 3 279.409 2.065 10 0 CEAEHN COCCC[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000178076459 284923069 /nfs/dbraw/zinc/92/30/69/284923069.db2.gz XGSKLOOQPWYGGS-NWDGAFQWSA-N 0 3 266.389 2.080 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000037044832 184539255 /nfs/dbraw/zinc/53/92/55/184539255.db2.gz SOGFECGLSSYMAY-CQSZACIVSA-N 0 3 261.369 2.353 10 0 CEAEHN Cc1nn(-c2c(CNC3CC3)c(C)nn2C)c(C)c1C ZINC000040731111 184547581 /nfs/dbraw/zinc/54/75/81/184547581.db2.gz QHVFKDOHXQEBSF-UHFFFAOYSA-N 0 3 273.384 2.091 10 0 CEAEHN CNCc1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000088913267 184614565 /nfs/dbraw/zinc/61/45/65/184614565.db2.gz UPXBNIZFZUYURG-UHFFFAOYSA-N 0 3 288.438 2.032 10 0 CEAEHN COCc1ccccc1CN[C@@H](C)[C@H](C)C(=O)OC ZINC000093027347 184643502 /nfs/dbraw/zinc/64/35/02/184643502.db2.gz QKNIBCPEKCYEBW-RYUDHWBXSA-N 0 3 265.353 2.120 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC2(C)CCCCC2)C1 ZINC000116535540 285231261 /nfs/dbraw/zinc/23/12/61/285231261.db2.gz GGHHFUHECZFAGI-CYBMUJFWSA-N 0 3 267.417 2.493 10 0 CEAEHN CCOc1ccc2nc([C@@H]3COC[C@@H]3N)sc2c1 ZINC000093421749 184673750 /nfs/dbraw/zinc/67/37/50/184673750.db2.gz ADKQQIUQZCNMGF-ZJUUUORDSA-N 0 3 264.350 2.136 10 0 CEAEHN CC[C@H]1CC[C@H](N)[C@H](S(=O)(=O)c2cccc(OC)c2)C1 ZINC000081923460 177896752 /nfs/dbraw/zinc/89/67/52/177896752.db2.gz AEEZAKKYKYQBID-TUKIKUTGSA-N 0 3 297.420 2.375 10 0 CEAEHN CCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1cccc(OC)c1 ZINC000081923487 177896763 /nfs/dbraw/zinc/89/67/63/177896763.db2.gz GTPYWFHZLKHAII-HUUCEWRRSA-N 0 3 297.420 2.390 10 0 CEAEHN CN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1F ZINC000081922898 177896151 /nfs/dbraw/zinc/89/61/51/177896151.db2.gz IOQPNQVKIVEKIQ-DGCLKSJQSA-N 0 3 271.357 2.130 10 0 CEAEHN C[C@H](CS(C)(=O)=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC000081901677 177886260 /nfs/dbraw/zinc/88/62/60/177886260.db2.gz JERMIZSTSLJGPR-VXGBXAGGSA-N 0 3 281.421 2.259 10 0 CEAEHN NCc1cccc(N2CCC[C@@H]2c2ccncc2)n1 ZINC000081595354 177828594 /nfs/dbraw/zinc/82/85/94/177828594.db2.gz BLUWUYFCBMJGSK-CQSZACIVSA-N 0 3 254.337 2.277 10 0 CEAEHN Cc1cc(F)cc([C@H]2CCN[C@H](C(=O)N(C)C)C2)c1 ZINC000093978308 184748143 /nfs/dbraw/zinc/74/81/43/184748143.db2.gz XIGDYCXAEUYEGV-FZMZJTMJSA-N 0 3 264.344 2.058 10 0 CEAEHN CC[C@](C)(N)C(=O)N[C@@H](C)c1c(F)cccc1F ZINC000094234020 184767872 /nfs/dbraw/zinc/76/78/72/184767872.db2.gz VOYSRDWUMIEVFI-SDBXPKJASA-N 0 3 256.296 2.269 10 0 CEAEHN CCC(N)(CC)C(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000094244823 184769608 /nfs/dbraw/zinc/76/96/08/184769608.db2.gz ZDKZAVNXRHXAMK-UHFFFAOYSA-N 0 3 276.380 2.401 10 0 CEAEHN Cc1nccc(CN[C@H]2CCOC3(CCCC3)C2)n1 ZINC000094368643 184790152 /nfs/dbraw/zinc/79/01/52/184790152.db2.gz NTFLTSDMMVFUIZ-ZDUSSCGKSA-N 0 3 261.369 2.366 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc(C3CC3)c2)CCO1 ZINC000094520441 184813601 /nfs/dbraw/zinc/81/36/01/184813601.db2.gz KZHDNESWWUMWFG-WBMJQRKESA-N 0 3 260.381 2.285 10 0 CEAEHN NC[C@H](Cc1cccc(C2CC2)c1)C(=O)N1CCCC1 ZINC000094522363 184813718 /nfs/dbraw/zinc/81/37/18/184813718.db2.gz FDLIFUOFCDLZAH-INIZCTEOSA-N 0 3 272.392 2.304 10 0 CEAEHN CCN[C@H](c1cc(F)c(C)cc1F)[C@@H]1COCCO1 ZINC000094707866 184845208 /nfs/dbraw/zinc/84/52/08/184845208.db2.gz PKLMACXHWDTRLV-UONOGXRCSA-N 0 3 271.307 2.339 10 0 CEAEHN Cc1cscc1CN[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000094877827 184886495 /nfs/dbraw/zinc/88/64/95/184886495.db2.gz YCAUSIFBGBJGGR-RYUDHWBXSA-N 0 3 273.423 2.112 10 0 CEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1csc(Cl)c1 ZINC000191353516 130224900 /nfs/dbraw/zinc/22/49/00/130224900.db2.gz XAENHSOLVZHJMG-GXSJLCMTSA-N 0 3 274.817 2.383 10 0 CEAEHN C[C@@H](CN1CCO[C@@H](CN(C)C)C1)c1ccccc1 ZINC000247208882 131101726 /nfs/dbraw/zinc/10/17/26/131101726.db2.gz UKYCYRTUDCTWPL-HOCLYGCPSA-N 0 3 262.397 2.053 10 0 CEAEHN Cc1ccncc1N1CCN[C@@H](Cc2ccccc2)C1 ZINC000086149241 135039480 /nfs/dbraw/zinc/03/94/80/135039480.db2.gz HZQJIAFMTBSEEJ-INIZCTEOSA-N 0 3 267.376 2.411 10 0 CEAEHN CCCNCc1cncc(N2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000091420828 135069330 /nfs/dbraw/zinc/06/93/30/135069330.db2.gz VMTKUHSTCZSKEP-LSDHHAIUSA-N 0 3 290.411 2.124 10 0 CEAEHN Cc1cccc(N2CCN([C@H]3CC[C@H](O)C3)CC2)c1C ZINC000093798450 135082840 /nfs/dbraw/zinc/08/28/40/135082840.db2.gz FANYMYKBKNANFU-HOTGVXAUSA-N 0 3 274.408 2.339 10 0 CEAEHN CCc1ncsc1C(=O)N1C[C@@H]2CCCN2C[C@H]1CC ZINC000246260532 394512945 /nfs/dbraw/zinc/51/29/45/394512945.db2.gz LBCXFYQUENCEKF-NEPJUHHUSA-N 0 3 293.436 2.404 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000246645646 394519547 /nfs/dbraw/zinc/51/95/47/394519547.db2.gz WDXRJKYPNNURQR-KGLIPLIRSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1[O-] ZINC000246645646 394519551 /nfs/dbraw/zinc/51/95/51/394519551.db2.gz WDXRJKYPNNURQR-KGLIPLIRSA-N 0 3 288.391 2.399 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C\c2ccnc(Cl)c2)C1 ZINC000255828736 394589956 /nfs/dbraw/zinc/58/99/56/394589956.db2.gz JHLOLHRSRFKUAK-SZZPACECSA-N 0 3 293.798 2.349 10 0 CEAEHN C[C@H]1CC(CCN(C)CC(=O)N(C)C)C[C@H](C)C1 ZINC000089101233 394646750 /nfs/dbraw/zinc/64/67/50/394646750.db2.gz QHDXSUOSYJTKQW-CHWSQXEVSA-N 0 3 254.418 2.469 10 0 CEAEHN CCOc1ccccc1[C@H](C)NCCn1cncn1 ZINC000268857896 394701216 /nfs/dbraw/zinc/70/12/16/394701216.db2.gz UYCZRDUMBSQIID-LBPRGKRZSA-N 0 3 260.341 2.028 10 0 CEAEHN CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000113223541 394746826 /nfs/dbraw/zinc/74/68/26/394746826.db2.gz DUDKUADOVMDLKW-DZGCQCFKSA-N 0 3 288.391 2.394 10 0 CEAEHN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C1CCCC1 ZINC000125368016 394842544 /nfs/dbraw/zinc/84/25/44/394842544.db2.gz FFKIEHDDKCLMLO-AAEUAGOBSA-N 0 3 278.400 2.428 10 0 CEAEHN CC[C@@H](SC)C(=O)N(C)C[C@H]1CCCN1CC ZINC000131491055 394912505 /nfs/dbraw/zinc/91/25/05/394912505.db2.gz HVCCXVWGRZIBQM-VXGBXAGGSA-N 0 3 258.431 2.071 10 0 CEAEHN c1cncc(O[C@H]2CCN(C[C@@H]3CCCCO3)C2)c1 ZINC000152286065 394992552 /nfs/dbraw/zinc/99/25/52/394992552.db2.gz RYAUICDFPRXAKJ-GJZGRUSLSA-N 0 3 262.353 2.104 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccc(Cl)o2)[C@@H](C)C1 ZINC000155530622 395028180 /nfs/dbraw/zinc/02/81/80/395028180.db2.gz AWJYOJNWVYMNHI-UWVGGRQHSA-N 0 3 270.760 2.392 10 0 CEAEHN C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000155051913 395025565 /nfs/dbraw/zinc/02/55/65/395025565.db2.gz WSEAWEGGFAJTAE-HOCLYGCPSA-N 0 3 294.439 2.278 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H](C)C2CCCC2)C1 ZINC000172224124 395101528 /nfs/dbraw/zinc/10/15/28/395101528.db2.gz DKSGKUZFHIURLZ-GXTWGEPZSA-N 0 3 267.417 2.349 10 0 CEAEHN C[C@H]1CC[C@H](NC(=O)CNC2CC2)c2ccccc21 ZINC000182712251 395247049 /nfs/dbraw/zinc/24/70/49/395247049.db2.gz XHRCNFATMMDARH-NHYWBVRUSA-N 0 3 258.365 2.493 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccncc1F ZINC000184163521 395270698 /nfs/dbraw/zinc/27/06/98/395270698.db2.gz YVWTXENADTUWPK-NSHDSACASA-N 0 3 280.347 2.169 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCc2ccsc2)C1 ZINC000194635164 395444833 /nfs/dbraw/zinc/44/48/33/395444833.db2.gz OYMQHNHCUJKWKU-CYBMUJFWSA-N 0 3 266.410 2.281 10 0 CEAEHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1Br ZINC000037014596 400115236 /nfs/dbraw/zinc/11/52/36/400115236.db2.gz XLFDAXHPKKRAHK-GZMMTYOYSA-N 0 3 285.185 2.364 10 0 CEAEHN C[C@H]1[C@@H](Nc2nn(C)cc2N)CCN1Cc1ccccc1 ZINC000307727989 400340081 /nfs/dbraw/zinc/34/00/81/400340081.db2.gz FOSLSZCGZQFPKU-WFASDCNBSA-N 0 3 285.395 2.077 10 0 CEAEHN C[C@@H](NC(=O)[C@H](N)C1CCC1)c1cc(F)ccc1F ZINC000398972699 400562934 /nfs/dbraw/zinc/56/29/34/400562934.db2.gz XGVIHSRPUOZJKQ-AMIZOPFISA-N 0 3 268.307 2.269 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170832284 292193058 /nfs/dbraw/zinc/19/30/58/292193058.db2.gz BBEPQHYPXJJVAW-UKRRQHHQSA-N 0 3 275.396 2.402 10 0 CEAEHN Cn1cc([C@H]2CCCN2C[C@H](O)C2CCCCC2)cn1 ZINC000191333693 153167235 /nfs/dbraw/zinc/16/72/35/153167235.db2.gz YSYRNGHMJPXCNC-CVEARBPZSA-N 0 3 277.412 2.498 10 0 CEAEHN CC(C)Cc1nc(C(=O)N2CCN3CCC[C@H]3C2)cs1 ZINC000195339337 153288190 /nfs/dbraw/zinc/28/81/90/153288190.db2.gz IMZPSSWWGHKXBH-LBPRGKRZSA-N 0 3 293.436 2.262 10 0 CEAEHN COc1ccc(CN2CC[C@@H](CCO)C2)cc1F ZINC000227567733 153348291 /nfs/dbraw/zinc/34/82/91/153348291.db2.gz BCFFXMHCHQIDFR-NSHDSACASA-N 0 3 253.317 2.039 10 0 CEAEHN CCC(C)(C)CCN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000262974863 154002447 /nfs/dbraw/zinc/00/24/47/154002447.db2.gz SOJFWBFZZVYRNF-UHFFFAOYSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC(C)(C)CCN1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000262974863 154002450 /nfs/dbraw/zinc/00/24/50/154002450.db2.gz SOJFWBFZZVYRNF-UHFFFAOYSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC(C)(C)CC[NH+]1CCC(N(C)CC(=O)[O-])CC1 ZINC000262974863 154002453 /nfs/dbraw/zinc/00/24/53/154002453.db2.gz SOJFWBFZZVYRNF-UHFFFAOYSA-N 0 3 270.417 2.294 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc(Cl)cc2F)n1 ZINC000263219414 154039677 /nfs/dbraw/zinc/03/96/77/154039677.db2.gz LPEITXZTGILANQ-LLVKDONJSA-N 0 3 296.733 2.105 10 0 CEAEHN CCS[C@H](c1nc([C@@H]2CNCCN2C)no1)C(C)C ZINC000263245718 154042305 /nfs/dbraw/zinc/04/23/05/154042305.db2.gz PFXDSUWNMRNAIC-QWRGUYRKSA-N 0 3 284.429 2.096 10 0 CEAEHN CC[C@@H]([NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263474119 154097321 /nfs/dbraw/zinc/09/73/21/154097321.db2.gz DZCXRAPXFLFWOK-UYSNPLJNSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[C@@H](NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263474119 154097328 /nfs/dbraw/zinc/09/73/28/154097328.db2.gz DZCXRAPXFLFWOK-UYSNPLJNSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[C@@H](NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C1CCC1 ZINC000263474119 154097336 /nfs/dbraw/zinc/09/73/36/154097336.db2.gz DZCXRAPXFLFWOK-UYSNPLJNSA-N 0 3 294.439 2.482 10 0 CEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(N[C@@H]2CC[C@H]2C2CC2)C1 ZINC000263529551 154116373 /nfs/dbraw/zinc/11/63/73/154116373.db2.gz VSBWFIQHKYFDLZ-SSHXOBKSSA-N 0 3 292.423 2.092 10 0 CEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(N[C@@H]2CC[C@H]2C2CC2)C1 ZINC000263529551 154116378 /nfs/dbraw/zinc/11/63/78/154116378.db2.gz VSBWFIQHKYFDLZ-SSHXOBKSSA-N 0 3 292.423 2.092 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1c1nc(C2CC2)ns1 ZINC000301966481 154183248 /nfs/dbraw/zinc/18/32/48/154183248.db2.gz VQNQMBPMPKSCJX-NWDGAFQWSA-N 0 3 278.425 2.479 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000113404148 287011443 /nfs/dbraw/zinc/01/14/43/287011443.db2.gz FHJFSRRVXARXLN-ZNMIVQPWSA-N 0 3 297.443 2.118 10 0 CEAEHN CC(C)OCCCN1CCC[C@H]1c1cnn(C)c1 ZINC000171504307 165045105 /nfs/dbraw/zinc/04/51/05/165045105.db2.gz QPNGGNOWXUOJJL-AWEZNQCLSA-N 0 3 251.374 2.372 10 0 CEAEHN Cc1cccc(-c2noc(CN3CCN4CCC[C@@H]4C3)n2)c1 ZINC000171640031 165052415 /nfs/dbraw/zinc/05/24/15/165052415.db2.gz YRMMDWDBVGNAGU-OAHLLOKOSA-N 0 3 298.390 2.325 10 0 CEAEHN Cc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)c(C)c1 ZINC000171902983 165053878 /nfs/dbraw/zinc/05/38/78/165053878.db2.gz XXYRSUCVWJMCTE-INIZCTEOSA-N 0 3 287.407 2.293 10 0 CEAEHN CC(C)CC[C@@H](C)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171897385 165054614 /nfs/dbraw/zinc/05/46/14/165054614.db2.gz TYTQFKFARMOEEP-ZIAGYGMSSA-N 0 3 267.417 2.301 10 0 CEAEHN CCC(CC)CS(=O)(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000173886227 165086493 /nfs/dbraw/zinc/08/64/93/165086493.db2.gz FOBBNUTYODHIOW-GXTWGEPZSA-N 0 3 290.473 2.071 10 0 CEAEHN CCc1cnc(NC(=O)N[C@@H]2CCCN(CC)C2)s1 ZINC000174224435 165095887 /nfs/dbraw/zinc/09/58/87/165095887.db2.gz HDJIMBSMHXAMCP-SNVBAGLBSA-N 0 3 282.413 2.311 10 0 CEAEHN CCCC[C@H](CCC)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175984141 165151116 /nfs/dbraw/zinc/15/11/16/165151116.db2.gz WYYMRQQRVQVQSS-LSDHHAIUSA-N 0 3 299.459 2.317 10 0 CEAEHN CCOc1cccnc1C(=O)N(C)C[C@@H]1CCCN1CC ZINC000176556233 165166695 /nfs/dbraw/zinc/16/66/95/165166695.db2.gz WFLRPMNRIYJXDE-ZDUSSCGKSA-N 0 3 291.395 2.037 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccoc1C ZINC000176977538 165181368 /nfs/dbraw/zinc/18/13/68/165181368.db2.gz OPEMHARFGWJWMV-LBPRGKRZSA-N 0 3 250.342 2.144 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)NC(C)(C)CC ZINC000177705821 165207757 /nfs/dbraw/zinc/20/77/57/165207757.db2.gz DARVRGGEUSTTSZ-KGLIPLIRSA-N 0 3 283.460 2.096 10 0 CEAEHN CC(C)c1csc([C@@H]2CCCN(CCO)C2)n1 ZINC000177814715 165208994 /nfs/dbraw/zinc/20/89/94/165208994.db2.gz RCYOCHMEEVJCQT-LLVKDONJSA-N 0 3 254.399 2.438 10 0 CEAEHN CCCCC[C@@H](CC)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000180862927 165321848 /nfs/dbraw/zinc/32/18/48/165321848.db2.gz PLODTHQISWELNI-CABCVRRESA-N 0 3 284.444 2.382 10 0 CEAEHN CN(C)CCSc1nccc(-c2nccs2)n1 ZINC000006437055 170201602 /nfs/dbraw/zinc/20/16/02/170201602.db2.gz DZIPTOCYVFZQOC-UHFFFAOYSA-N 0 3 266.395 2.254 10 0 CEAEHN NCc1ccccc1S(=O)(=O)N1CCCCCCC1 ZINC000020265465 171122984 /nfs/dbraw/zinc/12/29/84/171122984.db2.gz UDODAWZYPYOXRW-UHFFFAOYSA-N 0 3 282.409 2.100 10 0 CEAEHN CN1CCNC[C@@H]1c1ccc(Br)cc1 ZINC000020268361 171123989 /nfs/dbraw/zinc/12/39/89/171123989.db2.gz UFGAWLAIPNFFLI-LLVKDONJSA-N 0 3 255.159 2.025 10 0 CEAEHN CCCCS(=O)(=O)[N-]c1ccccc1[C@@H](C)[NH3+] ZINC000022211054 171373421 /nfs/dbraw/zinc/37/34/21/171373421.db2.gz NVMHXSLBIVMXHD-SNVBAGLBSA-N 0 3 256.371 2.248 10 0 CEAEHN NC[C@@H](c1cnn(-c2ccccc2)c1)N1CCCCC1 ZINC000022211631 171374048 /nfs/dbraw/zinc/37/40/48/171374048.db2.gz PBBVVZKOQFRMDZ-INIZCTEOSA-N 0 3 270.380 2.358 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc(Br)c2)CCO1 ZINC000022221387 171378388 /nfs/dbraw/zinc/37/83/88/171378388.db2.gz RQOUTCPDBZVBPE-MFKMUULPSA-N 0 3 299.212 2.170 10 0 CEAEHN Cc1nn(C)c(N2CCC[C@H](C)C2)c1CNC(C)C ZINC000034823318 171876963 /nfs/dbraw/zinc/87/69/63/171876963.db2.gz WICOPROEUYREGY-LBPRGKRZSA-N 0 3 264.417 2.463 10 0 CEAEHN C[C@H](NCCc1cccc(F)c1)C(=O)N1CCCCC1 ZINC000035140882 172008047 /nfs/dbraw/zinc/00/80/47/172008047.db2.gz VMIIEHYSNMLRLM-ZDUSSCGKSA-N 0 3 278.371 2.359 10 0 CEAEHN CCNCc1c(N(CC)CC)nc2sccn12 ZINC000035429580 172197153 /nfs/dbraw/zinc/19/71/53/172197153.db2.gz LGZZFCFOOHWRBE-UHFFFAOYSA-N 0 3 252.387 2.352 10 0 CEAEHN C[C@@H]1CCCCN1c1nc2sccn2c1CN ZINC000035429604 172198161 /nfs/dbraw/zinc/19/81/61/172198161.db2.gz OZVZUSLACAMDSS-SECBINFHSA-N 0 3 250.371 2.233 10 0 CEAEHN c1ccn2c(c1)nc(N1CCCC1)c2CNC1CC1 ZINC000035433843 172201982 /nfs/dbraw/zinc/20/19/82/172201982.db2.gz VZBAPZVTRIZSGV-UHFFFAOYSA-N 0 3 256.353 2.187 10 0 CEAEHN CN[C@H](c1cccs1)c1cccc(S(C)(=O)=O)c1 ZINC000035488227 172222803 /nfs/dbraw/zinc/22/28/03/172222803.db2.gz KNSXTMFXEPJDNQ-ZDUSSCGKSA-N 0 3 281.402 2.460 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 ZINC000035545073 172252707 /nfs/dbraw/zinc/25/27/07/172252707.db2.gz UMLQAGABJNMJPQ-DZGCQCFKSA-N 0 3 263.337 2.287 10 0 CEAEHN C[C@@H](CO)N[C@H](c1ccccc1)c1ccc(O)cc1 ZINC000035603258 172291762 /nfs/dbraw/zinc/29/17/62/172291762.db2.gz OIEHASWIADSZES-BLLLJJGKSA-N 0 3 257.333 2.452 10 0 CEAEHN CCN[C@H](C)c1cccc(S(=O)(=O)NC(C)C)c1 ZINC000035632808 172315536 /nfs/dbraw/zinc/31/55/36/172315536.db2.gz NCJDQQVLBZGHOE-LLVKDONJSA-N 0 3 270.398 2.044 10 0 CEAEHN C[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccccn1 ZINC000035694939 172363648 /nfs/dbraw/zinc/36/36/48/172363648.db2.gz SBYAHDFEPDESFF-JSGCOSHPSA-N 0 3 269.348 2.349 10 0 CEAEHN COc1ccc(N)cc1CN(C)[C@H]1CCSC1 ZINC000037174125 173008918 /nfs/dbraw/zinc/00/89/18/173008918.db2.gz WFIVDZUOYLWDRK-LBPRGKRZSA-N 0 3 252.383 2.215 10 0 CEAEHN Cc1ccc([C@@H](CN)N(C)[C@@H]2CCSC2)s1 ZINC000037174542 173009948 /nfs/dbraw/zinc/00/99/48/173009948.db2.gz HKIHGVZVVWTHKI-GHMZBOCLSA-N 0 3 256.440 2.494 10 0 CEAEHN Cc1ccc([C@@H](CN)N2CCSCC2)cc1C ZINC000037180000 173013074 /nfs/dbraw/zinc/01/30/74/173013074.db2.gz ZMIYKYIQIBMTEQ-CQSZACIVSA-N 0 3 250.411 2.352 10 0 CEAEHN CC(C)OCCCN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037239614 173056245 /nfs/dbraw/zinc/05/62/45/173056245.db2.gz QDDXYVOTWMHWQC-CQSZACIVSA-N 0 3 297.420 2.310 10 0 CEAEHN Cc1nc2sccn2c1CN[C@@H](C)[C@@H]1CCCO1 ZINC000037242341 173058655 /nfs/dbraw/zinc/05/86/55/173058655.db2.gz SMHVBCFZXHLEAV-JQWIXIFHSA-N 0 3 265.382 2.361 10 0 CEAEHN CC(C)C[C@@H](C)NCc1ccc(C(N)=O)cc1F ZINC000037264870 173073224 /nfs/dbraw/zinc/07/32/24/173073224.db2.gz CPJDLNJGRQPJRS-SNVBAGLBSA-N 0 3 252.333 2.449 10 0 CEAEHN CC(C)NCC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000037394757 173175559 /nfs/dbraw/zinc/17/55/59/173175559.db2.gz TZLHAFHNYNBKMA-VIFPVBQESA-N 0 3 256.296 2.140 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc3cccc(Cl)c3n2C)C1 ZINC000037443648 173212271 /nfs/dbraw/zinc/21/22/71/173212271.db2.gz PWWMPMHNESJOOU-LDYMZIIASA-N 0 3 265.744 2.276 10 0 CEAEHN CCCN[C@@](C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037513856 173245039 /nfs/dbraw/zinc/24/50/39/173245039.db2.gz ONBAEVPMGZLLAL-GFCCVEGCSA-N 0 3 274.286 2.406 10 0 CEAEHN COc1ccc2c(c1)CCC[C@@H]2NCC(OC)OC ZINC000037566603 173514606 /nfs/dbraw/zinc/51/46/06/173514606.db2.gz ITJHVYOQKVCPSL-AWEZNQCLSA-N 0 3 265.353 2.281 10 0 CEAEHN CCN1CCC[C@@H]1CNc1c(F)cc(N)cc1F ZINC000038039923 174039547 /nfs/dbraw/zinc/03/95/47/174039547.db2.gz YWNUENBNOPWKSM-SNVBAGLBSA-N 0 3 255.312 2.443 10 0 CEAEHN CCCCN(C(=O)[C@@H](N)CCSC)[C@@H](C)CC ZINC000040467541 174275517 /nfs/dbraw/zinc/27/55/17/174275517.db2.gz QJKIXVLJTOMSFH-RYUDHWBXSA-N 0 3 260.447 2.494 10 0 CEAEHN N[C@H](CC(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000040495342 174294280 /nfs/dbraw/zinc/29/42/80/174294280.db2.gz QLQNRFNWGKNTMJ-CQSZACIVSA-N 0 3 256.305 2.421 10 0 CEAEHN CCN(CC)C(=O)CN[C@H](C)COc1ccc(C)cc1 ZINC000040499889 174296708 /nfs/dbraw/zinc/29/67/08/174296708.db2.gz QMZVIQBBQLIOOM-CQSZACIVSA-N 0 3 278.396 2.220 10 0 CEAEHN Cc1ccc(OC[C@@H](C)NC(=O)[C@@](C)(N)C2CC2)cc1 ZINC000040500222 174297163 /nfs/dbraw/zinc/29/71/63/174297163.db2.gz BWRQCHHVAINXSD-WBMJQRKESA-N 0 3 276.380 2.006 10 0 CEAEHN CCN(CC)[C@H](CNC(=O)N(C)C)c1ccc(OC)cc1 ZINC000040614930 174353748 /nfs/dbraw/zinc/35/37/48/174353748.db2.gz XMLMZCZRKIZIPU-OAHLLOKOSA-N 0 3 293.411 2.349 10 0 CEAEHN CC(C)(CNC(=O)c1ccc2c(c1)OCO2)N1CCCC1 ZINC000040616122 174354259 /nfs/dbraw/zinc/35/42/59/174354259.db2.gz PZJLQCNYDXYCDR-UHFFFAOYSA-N 0 3 290.363 2.020 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NCc1cc2c(s1)CCC2 ZINC000040628137 174356999 /nfs/dbraw/zinc/35/69/99/174356999.db2.gz HNRZMDUNLREDGA-CQSZACIVSA-N 0 3 266.410 2.371 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000040629688 174357588 /nfs/dbraw/zinc/35/75/88/174357588.db2.gz YUBZJBFXUONOPF-KCJUWKMLSA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000040629724 174357918 /nfs/dbraw/zinc/35/79/18/174357918.db2.gz PZWDJMGNFUWRCE-DOMZBBRYSA-N 0 3 270.332 2.155 10 0 CEAEHN Cn1ccnc1CCNCc1c(F)cccc1F ZINC000040638544 174363339 /nfs/dbraw/zinc/36/33/39/174363339.db2.gz JRPZCFKDGRRLIF-UHFFFAOYSA-N 0 3 251.280 2.031 10 0 CEAEHN c1ccc(CCN2CC[C@H](NCc3ccncc3)C2)cc1 ZINC000040671258 174369042 /nfs/dbraw/zinc/36/90/42/174369042.db2.gz MQYIAQMJMONBCG-SFHVURJKSA-N 0 3 281.403 2.488 10 0 CEAEHN CNCc1c(Oc2ccc(CO)cc2)nc2sccn21 ZINC000040711267 174381300 /nfs/dbraw/zinc/38/13/00/174381300.db2.gz TZZNCQNYEHHJFU-UHFFFAOYSA-N 0 3 289.360 2.400 10 0 CEAEHN CN1CCC[C@H](Nc2ccc3ncccc3c2N)C1 ZINC000040715806 174382709 /nfs/dbraw/zinc/38/27/09/174382709.db2.gz YOROHNUJXURQJJ-NSHDSACASA-N 0 3 256.353 2.323 10 0 CEAEHN CC(C)Cc1ccc([C@@H](N)CN2C(=O)C[C@@H](C)C2=O)cc1 ZINC000040739864 174390529 /nfs/dbraw/zinc/39/05/29/174390529.db2.gz LZEJLXFDQMUYSV-DOMZBBRYSA-N 0 3 288.391 2.280 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(Cc2ccnc3ccccc23)C1 ZINC000401700593 414754660 /nfs/dbraw/zinc/75/46/60/414754660.db2.gz NKXRGBXZKMVSDD-GXTWGEPZSA-N 0 3 256.349 2.438 10 0 CEAEHN CC(=O)c1cc(F)ccc1N1CC[C@@H](N(C)C)C1 ZINC000062965977 414761204 /nfs/dbraw/zinc/76/12/04/414761204.db2.gz JCSFYDKMTSLSKW-GFCCVEGCSA-N 0 3 250.317 2.169 10 0 CEAEHN C[C@@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)C(C)(C)C ZINC000115827866 414779940 /nfs/dbraw/zinc/77/99/40/414779940.db2.gz CEJXNKIDWRVLFF-OLZOCXBDSA-N 0 3 269.433 2.404 10 0 CEAEHN CN(C(=O)c1ccc2c(c1)CCC2)[C@H](CN)C(F)(F)F ZINC000662976701 414816376 /nfs/dbraw/zinc/81/63/76/414816376.db2.gz HIJZYRFPCNHYHL-GFCCVEGCSA-N 0 3 286.297 2.137 10 0 CEAEHN Cc1ccc(CCC(=O)N(C)[C@@H](CN)C(F)(F)F)cc1 ZINC000662980043 414816875 /nfs/dbraw/zinc/81/68/75/414816875.db2.gz YKYOSANPPNULRX-LBPRGKRZSA-N 0 3 288.313 2.276 10 0 CEAEHN CN(C(=O)c1cccc2cc[nH]c21)[C@@H](CN)C(F)(F)F ZINC000662986683 414818051 /nfs/dbraw/zinc/81/80/51/414818051.db2.gz IAIYQFHFRUJYPA-JTQLQIEISA-N 0 3 285.269 2.130 10 0 CEAEHN CC[C@H](C)[C@H](C)NCc1ccc(C(N)=O)cc1F ZINC000042556277 174792610 /nfs/dbraw/zinc/79/26/10/174792610.db2.gz CJJBOKKCWLETCA-UWVGGRQHSA-N 0 3 252.333 2.449 10 0 CEAEHN CN1C[C@H](CNCc2csc(C(C)(C)C)n2)CC1=O ZINC000657698589 415053210 /nfs/dbraw/zinc/05/32/10/415053210.db2.gz XJHANNZQBIPXDO-JTQLQIEISA-N 0 3 281.425 2.009 10 0 CEAEHN CN1C[C@@H](CNCc2cnc(C(C)(C)C)s2)CC1=O ZINC000657696873 415053629 /nfs/dbraw/zinc/05/36/29/415053629.db2.gz LJDJWGIMMIECFJ-SNVBAGLBSA-N 0 3 281.425 2.009 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccsc1)N(CC(N)=O)C1CCCC1 ZINC000043123804 174976709 /nfs/dbraw/zinc/97/67/09/174976709.db2.gz DWIBHRQYOCHAOO-DZGCQCFKSA-N 0 3 295.452 2.256 10 0 CEAEHN N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299973 175000769 /nfs/dbraw/zinc/00/07/69/175000769.db2.gz NBZSYMMJUZUFBA-KCJUWKMLSA-N 0 3 294.203 2.428 10 0 CEAEHN C[C@H](N)[C@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341216 175015362 /nfs/dbraw/zinc/01/53/62/175015362.db2.gz BZCCYLGTQDOLAA-GXFFZTMASA-N 0 3 262.382 2.058 10 0 CEAEHN Cc1ccc([C@@H](CN)Oc2ccc(S(C)(=O)=O)cc2)o1 ZINC000043366987 175027123 /nfs/dbraw/zinc/02/71/23/175027123.db2.gz ICGWDFNPQXETQV-CQSZACIVSA-N 0 3 295.360 2.070 10 0 CEAEHN CCN[C@H](c1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043393201 175034277 /nfs/dbraw/zinc/03/42/77/175034277.db2.gz ZJCACTFUSXQYBG-HIFRSBDPSA-N 0 3 281.421 2.389 10 0 CEAEHN CN[C@H](CN1CCCC1)c1cc(OC)ccc1OC ZINC000043807058 175108401 /nfs/dbraw/zinc/10/84/01/175108401.db2.gz DJOOYKGQJRDNRT-CQSZACIVSA-N 0 3 264.369 2.060 10 0 CEAEHN CCCCN(C)C[C@@H](NC)c1ccc2c(c1)OCO2 ZINC000043816734 175112403 /nfs/dbraw/zinc/11/24/03/175112403.db2.gz ADCCEETUAOVZIY-CYBMUJFWSA-N 0 3 264.369 2.408 10 0 CEAEHN CCCCN(C)C[C@@H](NC)c1ccc2c(c1)OCCO2 ZINC000043816746 175112491 /nfs/dbraw/zinc/11/24/91/175112491.db2.gz MLHYDKJKEHMBNJ-CQSZACIVSA-N 0 3 278.396 2.450 10 0 CEAEHN CN[C@@H](CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000043822797 175114516 /nfs/dbraw/zinc/11/45/16/175114516.db2.gz JDNPWHNTMJTSBU-ZDUSSCGKSA-N 0 3 264.369 2.059 10 0 CEAEHN CCN(C[C@@H](NC)c1ccc(OC)c(OC)c1)C1CC1 ZINC000043821485 175114571 /nfs/dbraw/zinc/11/45/71/175114571.db2.gz TVIZBVJKTABNEM-CQSZACIVSA-N 0 3 278.396 2.449 10 0 CEAEHN CCN[C@@H](CN1CCOC[C@@H]1CC)c1cccc(OC)c1 ZINC000043899200 175121819 /nfs/dbraw/zinc/12/18/19/175121819.db2.gz PNOURDBPJLWAEH-RDJZCZTQSA-N 0 3 292.423 2.457 10 0 CEAEHN CCO[C@@H]1CCCN([C@@H]2COc3ccccc3[C@@H]2NC)C1 ZINC000043971460 175132794 /nfs/dbraw/zinc/13/27/94/175132794.db2.gz YHPBYIRISXMVSG-UNEWFSDZSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN(CC(C)C)C(=O)[C@H](CN)Cc1ccccc1 ZINC000044800608 175255424 /nfs/dbraw/zinc/25/54/24/175255424.db2.gz LFCGEPISEFBNAH-HNNXBMFYSA-N 0 3 262.397 2.309 10 0 CEAEHN CC[C@H](C)N(CCOC)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044807649 175257133 /nfs/dbraw/zinc/25/71/33/175257133.db2.gz ABBHHUGVLICEPA-GOEBONIOSA-N 0 3 292.423 2.078 10 0 CEAEHN CCCOc1ccc([C@H](C)NCCC(=O)NC)cc1 ZINC000044988077 175285023 /nfs/dbraw/zinc/28/50/23/175285023.db2.gz LABWYVYMZINADG-LBPRGKRZSA-N 0 3 264.369 2.262 10 0 CEAEHN C[C@H](CNCC(=O)Nc1ccc(F)cc1)N1CCCCC1 ZINC000044993432 175286686 /nfs/dbraw/zinc/28/66/86/175286686.db2.gz AENKJOBZTRFSLC-CYBMUJFWSA-N 0 3 293.386 2.228 10 0 CEAEHN Nc1nc2cc(F)ccc2n1CCCCn1ccnc1 ZINC000045108608 175308704 /nfs/dbraw/zinc/30/87/04/175308704.db2.gz PWPCSUWBJZJQOJ-UHFFFAOYSA-N 0 3 273.315 2.435 10 0 CEAEHN CCN[C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138150 175314914 /nfs/dbraw/zinc/31/49/14/175314914.db2.gz OOXLYFUQYPMFPF-SMDDNHRTSA-N 0 3 296.436 2.434 10 0 CEAEHN CC[C@@H](C)NC(=O)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000045171870 175321296 /nfs/dbraw/zinc/32/12/96/175321296.db2.gz PPLSERNSKPXYJD-NEPJUHHUSA-N 0 3 294.443 2.475 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@H](C)Cn2cccn2)c1C ZINC000045171224 175321331 /nfs/dbraw/zinc/32/13/31/175321331.db2.gz VTRJTEJVVASTRY-VXGBXAGGSA-N 0 3 275.400 2.456 10 0 CEAEHN CC1(C)CSC(NCc2ccc(S(C)(=O)=O)cc2)=N1 ZINC000045173910 175323060 /nfs/dbraw/zinc/32/30/60/175323060.db2.gz CKRWXTGMCPONDR-UHFFFAOYSA-N 0 3 298.433 2.061 10 0 CEAEHN COC(=O)[C@@](N)(CN1CCCCCCC1)c1ccccc1 ZINC000045223602 175331314 /nfs/dbraw/zinc/33/13/14/175331314.db2.gz BOBLUQUZTQBUHW-QGZVFWFLSA-N 0 3 290.407 2.280 10 0 CEAEHN CCCN[C@](C)(CN1CCC(C)CC1)C(=O)OCC ZINC000045225434 175332631 /nfs/dbraw/zinc/33/26/31/175332631.db2.gz LAQOFBDCMDTVPP-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@@](C)(CN1CCC(C)CC1)C(=O)OCC ZINC000045225432 175333022 /nfs/dbraw/zinc/33/30/22/175333022.db2.gz LAQOFBDCMDTVPP-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN1CCCC[C@@H]1C)C(=O)[O-] ZINC000045227038 175333558 /nfs/dbraw/zinc/33/35/58/175333558.db2.gz WPLINVYXJBFIQD-JSGCOSHPSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN(CCC)C[C@](NCC)(C(N)=O)c1ccccc1 ZINC000045230233 175334246 /nfs/dbraw/zinc/33/42/46/175334246.db2.gz JZZCXINJRPWISJ-QGZVFWFLSA-N 0 3 291.439 2.099 10 0 CEAEHN CCCN[C@@](CN(C)[C@@H](C)CC)(C(N)=O)c1ccccc1 ZINC000045263796 175337961 /nfs/dbraw/zinc/33/79/61/175337961.db2.gz HOYOUYAFFGBYNW-WMLDXEAASA-N 0 3 291.439 2.097 10 0 CEAEHN CCCCCN(C)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045268196 175340898 /nfs/dbraw/zinc/34/08/98/175340898.db2.gz ZAPWLAQNFAGWOA-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCC[C@@H](CC)C1)NC(C)C ZINC000045270478 175342152 /nfs/dbraw/zinc/34/21/52/175342152.db2.gz WIYSNGZEXGFTAA-ZBFHGGJFSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCN[C@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045272093 175343487 /nfs/dbraw/zinc/34/34/87/175343487.db2.gz OQASZOKORXBVHO-ZMSDIMECSA-N 0 3 296.455 2.430 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)CC(C)(C)C)C(=O)[O-] ZINC000045279361 175349073 /nfs/dbraw/zinc/34/90/73/175349073.db2.gz AZGGFGBQMBRIPC-AWEZNQCLSA-N 0 3 258.406 2.197 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)CCC(C)C)NC1CC1 ZINC000045281252 175351858 /nfs/dbraw/zinc/35/18/58/175351858.db2.gz RMXWMNYRFMVCEK-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCN(C[C@H](NC(C)C)C(=O)OCC)C(C)C ZINC000045385731 175371992 /nfs/dbraw/zinc/37/19/92/175371992.db2.gz RLMNCKROIPVDGY-ZDUSSCGKSA-N 0 3 258.406 2.037 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000070430411 175925376 /nfs/dbraw/zinc/92/53/76/175925376.db2.gz NNTJTBXJFNQCQS-UHFFFAOYSA-N 0 3 296.436 2.407 10 0 CEAEHN C[C@](CC[NH+](CC1CC1)CC1CC1)(NC1CC1)C(=O)[O-] ZINC000070506753 175959013 /nfs/dbraw/zinc/95/90/13/175959013.db2.gz GBFWTGIZHCIIQL-MRXNPFEDSA-N 0 3 280.412 2.094 10 0 CEAEHN Cc1cc(C)nc(SC[C@@](CO)(NC2CC2)C2CC2)n1 ZINC000070519940 175966627 /nfs/dbraw/zinc/96/66/27/175966627.db2.gz BCDCOXAHGFKDRD-OAHLLOKOSA-N 0 3 293.436 2.079 10 0 CEAEHN NCc1ccnn1Cc1cc(Br)ccc1F ZINC000070708271 176002598 /nfs/dbraw/zinc/00/25/98/176002598.db2.gz VZSOAYJGFYZOTF-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN N[C@H]1CCC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000070824611 176007866 /nfs/dbraw/zinc/00/78/66/176007866.db2.gz JTMMOFRMUFNJSL-ONGXEEELSA-N 0 3 259.136 2.272 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC000070825383 176008119 /nfs/dbraw/zinc/00/81/19/176008119.db2.gz NCJCGEQUJIAMHU-ZIAGYGMSSA-N 0 3 270.417 2.038 10 0 CEAEHN CC(C)(C(N)=S)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000070940875 176014906 /nfs/dbraw/zinc/01/49/06/176014906.db2.gz VINCLVNJXSZBGA-UHFFFAOYSA-N 0 3 295.427 2.008 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc(F)cc1F ZINC000070987417 176018725 /nfs/dbraw/zinc/01/87/25/176018725.db2.gz CLFHCNSAFJELRH-OCCSQVGLSA-N 0 3 266.291 2.118 10 0 CEAEHN CC1(CN2CCC[C@H](NC3CC3)C2=O)CCCC1 ZINC000071030975 176022226 /nfs/dbraw/zinc/02/22/26/176022226.db2.gz YSVSOARMDFROLR-ZDUSSCGKSA-N 0 3 250.386 2.310 10 0 CEAEHN CCCN[C@@H]1CCN(c2nc(CC)c(C)s2)C1=O ZINC000071032264 176023674 /nfs/dbraw/zinc/02/36/74/176023674.db2.gz BROLJXNYDBLIQW-LLVKDONJSA-N 0 3 267.398 2.119 10 0 CEAEHN Cc1ccc([C@@H](C)N2CC[C@@H](NC3CC3)C2=O)s1 ZINC000071032296 176023855 /nfs/dbraw/zinc/02/38/55/176023855.db2.gz LAZJOWPKVJEHKC-ZYHUDNBSSA-N 0 3 264.394 2.470 10 0 CEAEHN Cc1ccccc1[C@H](C)N1CC[C@@H](NC2CC2)C1=O ZINC000071036952 176025826 /nfs/dbraw/zinc/02/58/26/176025826.db2.gz ZNRASNPQXYLETO-SWLSCSKDSA-N 0 3 258.365 2.409 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1cccc2c1CCCC2 ZINC000071038208 176027229 /nfs/dbraw/zinc/02/72/29/176027229.db2.gz SUYWKPDFQYZQDZ-HNNXBMFYSA-N 0 3 270.376 2.423 10 0 CEAEHN C[C@H]1CCC[C@H](N(CC(N)=O)Cc2ccccc2N)C1 ZINC000071150539 176045420 /nfs/dbraw/zinc/04/54/20/176045420.db2.gz QOBFFVVYLAJBFX-JSGCOSHPSA-N 0 3 275.396 2.135 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(C)C)CCCC[C@@H]1CC ZINC000071162797 176046991 /nfs/dbraw/zinc/04/69/91/176046991.db2.gz NBPQENWCZSGOBJ-ZFWWWQNUSA-N 0 3 270.417 2.040 10 0 CEAEHN CN1CC[C@@H](Oc2ccc(Cl)cc2CNC2CC2)C1=O ZINC000071182841 176058025 /nfs/dbraw/zinc/05/80/25/176058025.db2.gz BOVNSZAOHOVIGL-CQSZACIVSA-N 0 3 294.782 2.202 10 0 CEAEHN COc1ccc(C(=O)[C@@H](C)N(C)C[C@@H]2CCN(C)C2)cc1 ZINC000071189942 176065208 /nfs/dbraw/zinc/06/52/08/176065208.db2.gz QOYRVFRFKSGUAK-ZIAGYGMSSA-N 0 3 290.407 2.150 10 0 CEAEHN COCCN(CCC(N)=S)Cc1cccc(C)c1 ZINC000071226169 176089645 /nfs/dbraw/zinc/08/96/45/176089645.db2.gz KCEXYYIIYLUBKS-UHFFFAOYSA-N 0 3 266.410 2.120 10 0 CEAEHN CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071240401 176094511 /nfs/dbraw/zinc/09/45/11/176094511.db2.gz HEKIOOYWXRNEIX-SNVBAGLBSA-N 0 3 288.388 2.094 10 0 CEAEHN COc1cc(CNC2=NC[C@H](C3CC3)S2)ccn1 ZINC000071308115 176116532 /nfs/dbraw/zinc/11/65/32/176116532.db2.gz LXWRJVZBAGWRGX-LLVKDONJSA-N 0 3 263.366 2.061 10 0 CEAEHN CN(CCNc1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000071377625 176143186 /nfs/dbraw/zinc/14/31/86/176143186.db2.gz QUYYZGDNHOUBHR-UHFFFAOYSA-N 0 3 296.436 2.376 10 0 CEAEHN CNCc1cc(C)ccc1OCCn1ccnc1C ZINC000071403474 176154998 /nfs/dbraw/zinc/15/49/98/176154998.db2.gz NXFKVFRGVWYTMJ-UHFFFAOYSA-N 0 3 259.353 2.298 10 0 CEAEHN CNCc1cc(C)ccc1OCCC(=O)NC(C)C ZINC000071403582 176155051 /nfs/dbraw/zinc/15/50/51/176155051.db2.gz BWZICMWQSBIHFE-UHFFFAOYSA-N 0 3 264.369 2.008 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@H](C)C(=O)OCC ZINC000071403832 176155110 /nfs/dbraw/zinc/15/51/10/176155110.db2.gz KAUZRWRPFWOYLF-GFCCVEGCSA-N 0 3 265.353 2.435 10 0 CEAEHN CNCc1cc(C)ccc1OCC(=O)NC1CCCC1 ZINC000071403747 176155232 /nfs/dbraw/zinc/15/52/32/176155232.db2.gz SMHCVJUQLJNQHI-UHFFFAOYSA-N 0 3 276.380 2.152 10 0 CEAEHN CCNCc1cc(C)ccc1OCC(=O)OCC ZINC000071406030 176155725 /nfs/dbraw/zinc/15/57/25/176155725.db2.gz WDRQMOWBGFRQRX-UHFFFAOYSA-N 0 3 251.326 2.046 10 0 CEAEHN Cc1ccncc1NC(=O)[C@H](CN)c1ccccc1 ZINC000071414038 176158883 /nfs/dbraw/zinc/15/88/83/176158883.db2.gz WDJIDQCVYKULAU-CYBMUJFWSA-N 0 3 255.321 2.071 10 0 CEAEHN NCc1[nH]cnc1-c1ccc(Br)s1 ZINC000071583611 176208324 /nfs/dbraw/zinc/20/83/24/176208324.db2.gz MPWAMUNARCYFML-UHFFFAOYSA-N 0 3 258.144 2.359 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCc1ccco1 ZINC000077730048 177296770 /nfs/dbraw/zinc/29/67/70/177296770.db2.gz BHNCZFNKBRERMZ-CYBMUJFWSA-N 0 3 266.385 2.305 10 0 CEAEHN C[C@H](NC[C@H](O)CO)c1ccc(-c2ccccc2)cc1 ZINC000078430032 177340741 /nfs/dbraw/zinc/34/07/41/177340741.db2.gz DWTOYLPNZNZRIR-GUYCJALGSA-N 0 3 271.360 2.357 10 0 CEAEHN COC[C@@H](C)Oc1ncccc1CNCC(C)C ZINC000078522472 177349512 /nfs/dbraw/zinc/34/95/12/177349512.db2.gz ZFRBBCZITSNYFQ-GFCCVEGCSA-N 0 3 252.358 2.241 10 0 CEAEHN CCN(C[C@H]1OCCc2ccccc21)CC(C)(C)O ZINC000078838359 177397178 /nfs/dbraw/zinc/39/71/78/177397178.db2.gz GJEUZBHWBVWOOH-OAHLLOKOSA-N 0 3 263.381 2.393 10 0 CEAEHN C[C@@](CCSc1ncccc1Cl)(NC1CC1)C(N)=O ZINC000079448986 177492516 /nfs/dbraw/zinc/49/25/16/177492516.db2.gz XYLKPBFNUBGOQS-ZDUSSCGKSA-N 0 3 299.827 2.213 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000079981257 177591322 /nfs/dbraw/zinc/59/13/22/177591322.db2.gz DADOTIIIKZGPGQ-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCC[C@@H](C)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000187683185 270255485 /nfs/dbraw/zinc/25/54/85/270255485.db2.gz AHTABKNTOMAVDM-CHWSQXEVSA-N 0 3 280.416 2.499 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cnn(C(C)C)c1 ZINC000190380559 270268635 /nfs/dbraw/zinc/26/86/35/270268635.db2.gz YXPCFOWSNODVHA-CQSZACIVSA-N 0 3 280.416 2.170 10 0 CEAEHN C[C@H](CCN[C@H](C)c1ccnn1C)NC(=O)OC(C)(C)C ZINC000192979896 270282487 /nfs/dbraw/zinc/28/24/87/270282487.db2.gz QUGYVAWXWGBODK-VXGBXAGGSA-N 0 3 296.415 2.374 10 0 CEAEHN CCCN(CC1CC1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000194173298 270293634 /nfs/dbraw/zinc/29/36/34/270293634.db2.gz VLMHFNKEOJHMNZ-CQSZACIVSA-N 0 3 267.417 2.302 10 0 CEAEHN CN(C)C[C@@H](NC(=O)CCc1ccccn1)c1ccccc1 ZINC000194425226 270299310 /nfs/dbraw/zinc/29/93/10/270299310.db2.gz JBRDVNHNWNPCKZ-QGZVFWFLSA-N 0 3 297.402 2.433 10 0 CEAEHN C[C@@H](NC[C@H](O)C1CCC1)c1nc2ccccc2n1C ZINC000316693667 270334796 /nfs/dbraw/zinc/33/47/96/270334796.db2.gz DIVYYUJHSHCRKZ-ABAIWWIYSA-N 0 3 273.380 2.385 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC2([S@@](C)=O)CCC2)c1C ZINC000393705238 270343798 /nfs/dbraw/zinc/34/37/98/270343798.db2.gz KAYJSUKDQLOLNQ-PRWKNARSSA-N 0 3 297.468 2.472 10 0 CEAEHN C[C@@H]1CN(c2cccc(C(F)(F)F)n2)[C@H](C)CN1 ZINC000086471540 274365329 /nfs/dbraw/zinc/36/53/29/274365329.db2.gz YNMWHBJYISTWPI-RKDXNWHRSA-N 0 3 259.275 2.287 10 0 CEAEHN CCC[C@@H](N)C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000182858405 276023917 /nfs/dbraw/zinc/02/39/17/276023917.db2.gz AIBDZNBGWWQEPK-CYBMUJFWSA-N 0 3 266.772 2.352 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)N(C)C ZINC000245769276 276038705 /nfs/dbraw/zinc/03/87/05/276038705.db2.gz KBKGCQSITVSGAS-QBPKDAKJSA-N 0 3 286.419 2.419 10 0 CEAEHN CCN1CCC[C@@H](N[C@@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000040502962 276167672 /nfs/dbraw/zinc/16/76/72/276167672.db2.gz ABKWCHUZTNTEBF-UKRRQHHQSA-N 0 3 287.407 2.168 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000245473640 276169592 /nfs/dbraw/zinc/16/95/92/276169592.db2.gz QEDKHMLKNAQYPI-BZUAXINKSA-N 0 3 295.471 2.192 10 0 CEAEHN CCN1CCC[C@H]1CN(C)c1nnc(C(F)(F)F)s1 ZINC000155266590 276183740 /nfs/dbraw/zinc/18/37/40/276183740.db2.gz MGKAYJUWFOVYSN-QMMMGPOBSA-N 0 3 294.346 2.477 10 0 CEAEHN CC(=O)Nc1ccc([C@@H](NC2CCCCC2)C(N)=O)cc1 ZINC000037969694 277083064 /nfs/dbraw/zinc/08/30/64/277083064.db2.gz SAJGXYKITOZVJT-OAHLLOKOSA-N 0 3 289.379 2.094 10 0 CEAEHN CN1CCO[C@@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000183196685 277119634 /nfs/dbraw/zinc/11/96/34/277119634.db2.gz MDZOVQWQOVUZQG-GOEBONIOSA-N 0 3 278.371 2.123 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCCCC1 ZINC000135556675 280049460 /nfs/dbraw/zinc/04/94/60/280049460.db2.gz WOANVXXZPNUWFP-CQSZACIVSA-N 0 3 267.417 2.445 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC[C@@H]1CCCO1 ZINC000188767985 280139849 /nfs/dbraw/zinc/13/98/49/280139849.db2.gz VUFWEGNCMPWBLH-AJNGGQMLSA-N 0 3 281.396 2.362 10 0 CEAEHN CCO[C@@H](C)c1noc(CN(C)C[C@H]2CCCN2CC)n1 ZINC000245457613 280241569 /nfs/dbraw/zinc/24/15/69/280241569.db2.gz CDAUTMJMAFWRPP-QWHCGFSZSA-N 0 3 296.415 2.083 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)C2(C)CC2)C1 ZINC000245876388 280263783 /nfs/dbraw/zinc/26/37/83/280263783.db2.gz INIUEDUJLPHQJJ-OLZOCXBDSA-N 0 3 267.417 2.301 10 0 CEAEHN CCc1noc(C)c1NC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246579747 280302032 /nfs/dbraw/zinc/30/20/32/280302032.db2.gz MDABXNWBMRXPJC-ZWNOBZJWSA-N 0 3 294.399 2.396 10 0 CEAEHN O=C1O[C@H](CN2CC[C@]3(O)CCCC[C@@H]3C2)CC12CCC2 ZINC000248898034 280312434 /nfs/dbraw/zinc/31/24/34/280312434.db2.gz URHJEEZENDTCRT-JKIFEVAISA-N 0 3 293.407 2.099 10 0 CEAEHN CCOCCN1CCN(CCc2scnc2C)C[C@H]1C ZINC000246951265 280315682 /nfs/dbraw/zinc/31/56/82/280315682.db2.gz FRJAHBCDBVLSFQ-CYBMUJFWSA-N 0 3 297.468 2.037 10 0 CEAEHN CN1CCC[C@H](CNC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000247563957 280333723 /nfs/dbraw/zinc/33/37/23/280333723.db2.gz VHPIBLMGZOUKTB-KGLIPLIRSA-N 0 3 291.395 2.468 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)[C@H](C)c1cccnc1 ZINC000248655646 280357827 /nfs/dbraw/zinc/35/78/27/280357827.db2.gz QQANICQEUZYOJJ-HIFRSBDPSA-N 0 3 266.385 2.252 10 0 CEAEHN CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)C1(C)C ZINC000249076746 280382852 /nfs/dbraw/zinc/38/28/52/280382852.db2.gz ODCUTIBLPWJMLQ-SPWCGHHHSA-N 0 3 294.439 2.083 10 0 CEAEHN Cc1nc2ccc(NC(=O)C3(N)CCOCC3)cc2s1 ZINC000132093759 282066417 /nfs/dbraw/zinc/06/64/17/282066417.db2.gz RTNIXSZQHVHPQQ-UHFFFAOYSA-N 0 3 291.376 2.051 10 0 CEAEHN Cc1nn(C)cc1[C@H](C)N[C@H](CO)C1CCCCC1 ZINC000386092750 321868026 /nfs/dbraw/zinc/86/80/26/321868026.db2.gz GJUCWTSXGUCKPI-XHDPSFHLSA-N 0 3 265.401 2.320 10 0 CEAEHN COc1cc(C)ccc1[C@H](C)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000392873818 329059596 /nfs/dbraw/zinc/05/95/96/329059596.db2.gz FOUQFAASTYABNO-OUCADQQQSA-N 0 3 276.380 2.321 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1c1cccc(N)c1 ZINC000536954241 330382868 /nfs/dbraw/zinc/38/28/68/330382868.db2.gz QZPJZXNISACYEL-CHWSQXEVSA-N 0 3 277.368 2.278 10 0 CEAEHN CCOC(=O)[C@]12CCO[C@H]1CCN(Cc1ccccc1)C2 ZINC000536956973 330383368 /nfs/dbraw/zinc/38/33/68/330383368.db2.gz BDWBZNRNEVGYGS-RDJZCZTQSA-N 0 3 289.375 2.231 10 0 CEAEHN CC1CCN([C@H]2CNC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536961281 330384352 /nfs/dbraw/zinc/38/43/52/330384352.db2.gz YSCMBBGJKBYAOV-ZIAGYGMSSA-N 0 3 282.428 2.038 10 0 CEAEHN CCCNCc1ccoc1CN(C)[C@H](C)COC ZINC000052511442 519958044 /nfs/dbraw/zinc/95/80/44/519958044.db2.gz PDALUTCOJKULGD-GFCCVEGCSA-N 0 3 254.374 2.246 10 0 CEAEHN CCNCc1cnc(N2CCN([C@@H](C)CC)CC2)s1 ZINC000055076200 520015296 /nfs/dbraw/zinc/01/52/96/520015296.db2.gz BYXFUAWMWOWMOT-LBPRGKRZSA-N 0 3 282.457 2.173 10 0 CEAEHN CCNCc1nc(CN2CCC(C)CC2)cs1 ZINC000052376801 520020781 /nfs/dbraw/zinc/02/07/81/520020781.db2.gz HKJUFGMGTAJOTJ-UHFFFAOYSA-N 0 3 253.415 2.485 10 0 CEAEHN CCC[NH2+][C@H](CCN(C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524193 520072644 /nfs/dbraw/zinc/07/26/44/520072644.db2.gz MUYOJGQJMFJUSN-QWHCGFSZSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524193 520072650 /nfs/dbraw/zinc/07/26/50/520072650.db2.gz MUYOJGQJMFJUSN-QWHCGFSZSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@H](CC[N@@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524193 520072658 /nfs/dbraw/zinc/07/26/58/520072658.db2.gz MUYOJGQJMFJUSN-QWHCGFSZSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@](C)(CSCc1ccccc1C)C(N)=O ZINC000054964691 520109424 /nfs/dbraw/zinc/10/94/24/520109424.db2.gz UEAQSXSRHQUHKH-OAHLLOKOSA-N 0 3 280.437 2.472 10 0 CEAEHN CCN[C@H](CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000062454390 520187202 /nfs/dbraw/zinc/18/72/02/520187202.db2.gz NYFHBRZHJSKAQH-CYBMUJFWSA-N 0 3 258.406 2.053 10 0 CEAEHN CCC[C@@H](C)N(C)C[C@](NCC)(C(=O)OC)C1CC1 ZINC000069100272 520645658 /nfs/dbraw/zinc/64/56/58/520645658.db2.gz NZJQMULQMKNXNK-IUODEOHRSA-N 0 3 270.417 2.038 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1ccc(F)c(N)c1 ZINC000069427613 521300350 /nfs/dbraw/zinc/30/03/50/521300350.db2.gz VVWLRAIWJRROOW-UHFFFAOYSA-N 0 3 267.348 2.467 10 0 CEAEHN CCCN(C)C[C@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069096954 521501064 /nfs/dbraw/zinc/50/10/64/521501064.db2.gz UJCOJKNWYWIUHJ-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCc1nc(N2CCC[C@H]2CN(C)C)sc1C=O ZINC000061655553 521532626 /nfs/dbraw/zinc/53/26/26/521532626.db2.gz QNSYXTKDZMKSEB-NSHDSACASA-N 0 3 281.425 2.439 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2cccs2)c(C)[nH]1 ZINC000052811179 521832016 /nfs/dbraw/zinc/83/20/16/521832016.db2.gz ZDMWECIMLDOMKW-SECBINFHSA-N 0 3 251.355 2.483 10 0 CEAEHN COCC[C@@H](N)c1nc(C)c(-c2cccs2)[nH]1 ZINC000052811179 521832029 /nfs/dbraw/zinc/83/20/29/521832029.db2.gz ZDMWECIMLDOMKW-SECBINFHSA-N 0 3 251.355 2.483 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000061316268 521942609 /nfs/dbraw/zinc/94/26/09/521942609.db2.gz QPBQOSMKICTTGD-UHFFFAOYSA-N 0 3 277.368 2.218 10 0 CEAEHN CNCc1sc(N2CCO[C@H](C)C2)nc1C(C)(C)C ZINC000054995721 522167136 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/nfs/dbraw/zinc/94/30/81/521943081.db2.gz VTNSZPVYLRQVLL-WFASDCNBSA-N 0 3 278.396 2.351 10 0 CEAEHN CNCC(=O)Nc1cc(Br)ccc1Cl ZINC000061692503 521967228 /nfs/dbraw/zinc/96/72/28/521967228.db2.gz SKKKAJLBZDYKQZ-UHFFFAOYSA-N 0 3 277.549 2.260 10 0 CEAEHN CC[C@@H](C)N1CCN(c2cc(F)ccc2N)CC1 ZINC000055066669 522135471 /nfs/dbraw/zinc/13/54/71/522135471.db2.gz KTTWEHQYDXYGEL-LLVKDONJSA-N 0 3 251.349 2.328 10 0 CEAEHN COC[C@@H](C)CN[C@@H]1CCOc2ccc(OC)cc21 ZINC000045657837 522206003 /nfs/dbraw/zinc/20/60/03/522206003.db2.gz NWRRKLJWFAOTMW-SMDDNHRTSA-N 0 3 265.353 2.391 10 0 CEAEHN COc1cc(C)ccc1C(=O)CN1CCC[C@H]1CN(C)C ZINC000061645799 522255681 /nfs/dbraw/zinc/25/56/81/522255681.db2.gz UHXOJBZCIODBTG-AWEZNQCLSA-N 0 3 290.407 2.212 10 0 CEAEHN CN[C@H](c1ccc2c(c1)OCCO2)[C@H]1CCCCO1 ZINC000050961471 522482055 /nfs/dbraw/zinc/48/20/55/522482055.db2.gz RDQNCAYSNCJDCP-UKRRQHHQSA-N 0 3 263.337 2.287 10 0 CEAEHN CC[C@H](NC(=O)[C@@](C)(N)C1CC1)c1cccs1 ZINC000049532200 522504652 /nfs/dbraw/zinc/50/46/52/522504652.db2.gz IKNNULBUPGYKGB-GWCFXTLKSA-N 0 3 252.383 2.443 10 0 CEAEHN COc1cc(F)c([C@@H](N)[C@H]2CCCO2)cc1OC ZINC000061560752 522585322 /nfs/dbraw/zinc/58/53/22/522585322.db2.gz UTAAMRAMEIENKA-ZWNOBZJWSA-N 0 3 255.289 2.022 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1cc(C)ccc1OC)C(F)(F)F ZINC000062784630 522651083 /nfs/dbraw/zinc/65/10/83/522651083.db2.gz OXQWFLPZWXPQFA-NEPJUHHUSA-N 0 3 277.286 2.491 10 0 CEAEHN CC[C@@H](NS(=O)(=O)c1cccc2c1CCNC2)C(C)C ZINC000049147167 522905141 /nfs/dbraw/zinc/90/51/41/522905141.db2.gz XFCMDODYPLFBIM-CQSZACIVSA-N 0 3 296.436 2.045 10 0 CEAEHN COC(=O)CCOc1ccc(C)cc1CNC1CC1 ZINC000069317742 523105075 /nfs/dbraw/zinc/10/50/75/523105075.db2.gz IAUBNUGQZOVFDU-UHFFFAOYSA-N 0 3 263.337 2.189 10 0 CEAEHN COCCCN(C)[C@H](CN)c1cc2ccccc2o1 ZINC000068811975 523232654 /nfs/dbraw/zinc/23/26/54/523232654.db2.gz BMPXWVDGEHRMHM-CYBMUJFWSA-N 0 3 262.353 2.401 10 0 CEAEHN CC[C@H]1CN(c2ncc([C@@H](C)NC)s2)CCO1 ZINC000054903639 523308048 /nfs/dbraw/zinc/30/80/48/523308048.db2.gz YHGXEERTJFTRCT-ZJUUUORDSA-N 0 3 255.387 2.039 10 0 CEAEHN CC[C@H]1COCCN1c1nc(C)c([C@@H](C)N)s1 ZINC000054895997 523338641 /nfs/dbraw/zinc/33/86/41/523338641.db2.gz VECFNQHYUJTWOC-SCZZXKLOSA-N 0 3 255.387 2.086 10 0 CEAEHN COc1ccc(-n2nnnc2CNCC(C)C)cc1Cl ZINC000054744785 523354458 /nfs/dbraw/zinc/35/44/58/523354458.db2.gz ZHDBEEIIMVIOKQ-UHFFFAOYSA-N 0 3 295.774 2.070 10 0 CEAEHN CC[C@@H]1CN(c2ncc([C@@H](C)NC)s2)CCO1 ZINC000054903637 523473276 /nfs/dbraw/zinc/47/32/76/523473276.db2.gz YHGXEERTJFTRCT-NXEZZACHSA-N 0 3 255.387 2.039 10 0 CEAEHN CC[C@@H]1COCCN1c1nc(C)c(CNC2CC2)s1 ZINC000054997912 523502282 /nfs/dbraw/zinc/50/22/82/523502282.db2.gz YJRWJFYEONNXCK-GFCCVEGCSA-N 0 3 281.425 2.319 10 0 CEAEHN CCc1c(C)nn([C@@H](C)C[C@](C)(NC2CC2)C(N)=O)c1C ZINC000068649181 523716691 /nfs/dbraw/zinc/71/66/91/523716691.db2.gz GCQDTQMYXRISHM-QFYYESIMSA-N 0 3 292.427 2.009 10 0 CEAEHN CN1CCCN(c2nc(C(C)(C)C)c(CN)s2)CC1 ZINC000054968944 523813554 /nfs/dbraw/zinc/81/35/54/523813554.db2.gz SECHPNLHMHQHSM-UHFFFAOYSA-N 0 3 282.457 2.041 10 0 CEAEHN CN1CCN(C[C@H](N)c2ccc(C(C)(C)C)cc2)C1=O ZINC000052885758 523907806 /nfs/dbraw/zinc/90/78/06/523907806.db2.gz VPGKONAYGIPYOA-AWEZNQCLSA-N 0 3 275.396 2.351 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1cc(CNC(C)C)no1 ZINC000052547326 523938885 /nfs/dbraw/zinc/93/88/85/523938885.db2.gz JXUINTKVWXTPLD-ZDUSSCGKSA-N 0 3 283.416 2.420 10 0 CEAEHN COCCNCc1c(C)nc(-c2ncccc2C)nc1C ZINC000054854603 523945810 /nfs/dbraw/zinc/94/58/10/523945810.db2.gz KVJFQXOLLXDHMY-UHFFFAOYSA-N 0 3 286.379 2.200 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@@H](NC2CCC(CC)CC2)C1=O ZINC000049118573 523946834 /nfs/dbraw/zinc/94/68/34/523946834.db2.gz XFIPBEVIXNROAZ-GFJIZPEISA-N 0 3 280.412 2.471 10 0 CEAEHN COCCNCc1c(N(C)CC(C)C)nc2ccccn21 ZINC000062735346 523947616 /nfs/dbraw/zinc/94/76/16/523947616.db2.gz WTWQGXSKTRBJNR-UHFFFAOYSA-N 0 3 290.411 2.163 10 0 CEAEHN COCCNCc1cc(F)ccc1N(C)C[C@@H]1CCCO1 ZINC000062737044 523950237 /nfs/dbraw/zinc/95/02/37/523950237.db2.gz UXSNTNDUZOVWCW-HNNXBMFYSA-N 0 3 296.386 2.177 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H](CN)c2cccs2)CC1 ZINC000055063843 523958474 /nfs/dbraw/zinc/95/84/74/523958474.db2.gz WPEGHSZIVUIXQY-STQMWFEESA-N 0 3 267.442 2.164 10 0 CEAEHN CC[C@H](C)N1CCN(c2ncc(CNC)cc2Cl)CC1 ZINC000055073413 523962281 /nfs/dbraw/zinc/96/22/81/523962281.db2.gz KIYHJGPTUNHWJT-LBPRGKRZSA-N 0 3 296.846 2.375 10 0 CEAEHN CN1CC[C@@H](Nc2cc(Cl)ccc2C(N)=S)C1 ZINC000062788229 523968163 /nfs/dbraw/zinc/96/81/63/523968163.db2.gz ZFFDGZVYQLVZFE-SECBINFHSA-N 0 3 269.801 2.090 10 0 CEAEHN CNC(=O)CN(C)c1cccc(Cl)c1CNCC(C)C ZINC000062735656 524071838 /nfs/dbraw/zinc/07/18/38/524071838.db2.gz IRWKJNJCEYSWDU-UHFFFAOYSA-N 0 3 297.830 2.268 10 0 CEAEHN CNC(=O)COc1ccc(Cl)cc1CNCC(C)C ZINC000062730893 524074917 /nfs/dbraw/zinc/07/49/17/524074917.db2.gz SWQQRUMSHCRNEM-UHFFFAOYSA-N 0 3 284.787 2.210 10 0 CEAEHN COc1ccc(Cl)c(-n2nnnc2CNCC(C)C)c1 ZINC000054748281 524174189 /nfs/dbraw/zinc/17/41/89/524174189.db2.gz UAODPOPSXBLJGT-UHFFFAOYSA-N 0 3 295.774 2.070 10 0 CEAEHN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H]1CCCO ZINC000052762439 524183621 /nfs/dbraw/zinc/18/36/21/524183621.db2.gz WFQSEOWDCFKFLY-SOUVJXGZSA-N 0 3 282.428 2.013 10 0 CEAEHN Cc1cc(C)c(C)c(OCC[C@@H](NC(C)C)C(N)=O)c1 ZINC000062551347 524249997 /nfs/dbraw/zinc/24/99/97/524249997.db2.gz BHNJRNXAJTURRK-CQSZACIVSA-N 0 3 278.396 2.233 10 0 CEAEHN Cc1cccc(C)c1NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049630880 524304433 /nfs/dbraw/zinc/30/44/33/524304433.db2.gz PMDJXHHTNPCKEY-ZDUSSCGKSA-N 0 3 282.409 2.187 10 0 CEAEHN COc1ccccc1-n1ncc(CNCC(C)C)n1 ZINC000062606244 524307249 /nfs/dbraw/zinc/30/72/49/524307249.db2.gz YBAOGRCKRVOUCZ-UHFFFAOYSA-N 0 3 260.341 2.022 10 0 CEAEHN Cc1cc(C)cc(-n2nnnc2CNCC(C)C)c1 ZINC000054744596 524358855 /nfs/dbraw/zinc/35/88/55/524358855.db2.gz ROMSNGUFPHBIAY-UHFFFAOYSA-N 0 3 259.357 2.025 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1cccc2[nH]ccc21 ZINC000049189002 524593319 /nfs/dbraw/zinc/59/33/19/524593319.db2.gz KLONGTSEFHTHMO-LBPRGKRZSA-N 0 3 271.364 2.382 10 0 CEAEHN COc1ccccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000049444125 524610649 /nfs/dbraw/zinc/61/06/49/524610649.db2.gz ICSCGSVSPAPMOH-LBPRGKRZSA-N 0 3 275.352 2.007 10 0 CEAEHN C[C@H](C[C@](C)(N)C(N)=O)Oc1ccc2ccccc2c1 ZINC000068656909 524654962 /nfs/dbraw/zinc/65/49/62/524654962.db2.gz YOTMZEBPOUSCHR-BZNIZROVSA-N 0 3 272.348 2.200 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1c(F)cccc1Cl ZINC000069132564 524697341 /nfs/dbraw/zinc/69/73/41/524697341.db2.gz VRGQXMVWYASWGK-IUCAKERBSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@H](Cc1ccco1)NC(=O)c1cccc(CN)c1 ZINC000049126632 524745291 /nfs/dbraw/zinc/74/52/91/524745291.db2.gz XKBOXVPTVHFOJU-LLVKDONJSA-N 0 3 258.321 2.099 10 0 CEAEHN Cc1cc(CNC[C@H](O)c2ccccc2)c(C)n1C ZINC000052789837 524758903 /nfs/dbraw/zinc/75/89/03/524758903.db2.gz PEWJHPBJLQMTLM-INIZCTEOSA-N 0 3 258.365 2.465 10 0 CEAEHN Cc1ccc(F)c([C@]([O-])([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784290 524834781 /nfs/dbraw/zinc/83/47/81/524834781.db2.gz KMKBGQKHOHWQSY-OIBJUYFYSA-N 0 3 251.223 2.231 10 0 CEAEHN Cc1cc(Cl)cc(C)c1OCCn1cc(CN)nn1 ZINC000052651426 524860921 /nfs/dbraw/zinc/86/09/21/524860921.db2.gz ZVEXWORQSQITCL-UHFFFAOYSA-N 0 3 280.759 2.086 10 0 CEAEHN COc1ccc(OC)c([C@H](N)C2CCOCC2)c1 ZINC000061671372 524905791 /nfs/dbraw/zinc/90/57/91/524905791.db2.gz JJSCCPYLRZZTRN-CQSZACIVSA-N 0 3 251.326 2.130 10 0 CEAEHN C[C@H]1C[C@H]1NCC(=O)Nc1ccccc1Br ZINC000052287702 524963301 /nfs/dbraw/zinc/96/33/01/524963301.db2.gz JWERSYKIOWUYKJ-GZMMTYOYSA-N 0 3 283.169 2.386 10 0 CEAEHN C[C@@H](N)c1cc(Cl)ccc1O[C@H]1CCOC1=O ZINC000050209327 525024658 /nfs/dbraw/zinc/02/46/58/525024658.db2.gz ZRDUSRCMMJHNGC-HQJQHLMTSA-N 0 3 255.701 2.054 10 0 CEAEHN C[C@@H](N)c1ccc(F)cc1OC[C@@H](O)C(F)(F)F ZINC000068877966 525026922 /nfs/dbraw/zinc/02/69/22/525026922.db2.gz VYDUFZKEEOZDLZ-LHLIQPBNSA-N 0 3 267.222 2.147 10 0 CEAEHN Cc1cc(N(CCN(C)C)CC(C)C)nc(Cl)n1 ZINC000052814827 525032248 /nfs/dbraw/zinc/03/22/48/525032248.db2.gz IQPHCQGZTHMTSE-UHFFFAOYSA-N 0 3 270.808 2.462 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cc(F)c(F)c(F)c2)C[C@@H](C)O1 ZINC000062709368 525055546 /nfs/dbraw/zinc/05/55/46/525055546.db2.gz IXPANOBXWRQBCA-KKFJDGPESA-N 0 3 288.313 2.213 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc2c(s1)CCC2 ZINC000069133375 525097153 /nfs/dbraw/zinc/09/71/53/525097153.db2.gz LIVLCDYQBRBDLQ-NXEZZACHSA-N 0 3 264.394 2.059 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C1CCCCC1 ZINC000052342037 525130828 /nfs/dbraw/zinc/13/08/28/525130828.db2.gz LXBBNIYLVYMZSN-LRDDRELGSA-N 0 3 290.407 2.347 10 0 CEAEHN Cc1ccccc1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000061611854 525161413 /nfs/dbraw/zinc/16/14/13/525161413.db2.gz ULPRMVNRMIZTBQ-INIZCTEOSA-N 0 3 268.360 2.354 10 0 CEAEHN Cc1ccc(NS(=O)(=O)CCNC(C)C)cc1Cl ZINC000049632384 525292783 /nfs/dbraw/zinc/29/27/83/525292783.db2.gz UATLAGNALDNKDW-UHFFFAOYSA-N 0 3 290.816 2.388 10 0 CEAEHN COc1ccc([C@H](N)Cc2cccnc2)c(OC)c1 ZINC000055232979 525363154 /nfs/dbraw/zinc/36/31/54/525363154.db2.gz IJZSIVZTWLSOQZ-CQSZACIVSA-N 0 3 258.321 2.341 10 0 CEAEHN C[C@@H]1C[C@H](C)CN(Cc2ccnc(C(N)=S)c2)C1 ZINC000068751771 525385671 /nfs/dbraw/zinc/38/56/71/525385671.db2.gz HWMMUEWZXATOCT-PHIMTYICSA-N 0 3 263.410 2.194 10 0 CEAEHN Cc1ccc(O[C@H](C)C[C@](C)(NC2CC2)C(N)=O)cc1 ZINC000068653502 525470443 /nfs/dbraw/zinc/47/04/43/525470443.db2.gz BIVJDVVDULJDRB-WBMJQRKESA-N 0 3 276.380 2.148 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCCC[C@@H]1O)CCO2 ZINC000052000680 525580012 /nfs/dbraw/zinc/58/00/12/525580012.db2.gz SUYLRSXYFLOTAX-ZNMIVQPWSA-N 0 3 277.364 2.412 10 0 CEAEHN COc1ccc2c(c1)[C@H](NCCSC)CCO2 ZINC000069429837 525587659 /nfs/dbraw/zinc/58/76/59/525587659.db2.gz ALONJFZOPKJWTN-GFCCVEGCSA-N 0 3 253.367 2.471 10 0 CEAEHN CSC[C@H](C)CN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000069438817 525683039 /nfs/dbraw/zinc/68/30/39/525683039.db2.gz HTPSAEDSJJAVQQ-DGCLKSJQSA-N 0 3 299.461 2.494 10 0 CEAEHN Cc1c(CNC(C)C)cnn1[C@H]1CCCC[C@@H]1O ZINC000054600042 525721916 /nfs/dbraw/zinc/72/19/16/525721916.db2.gz ZIPBAGYRYJLWHA-KBPBESRZSA-N 0 3 251.374 2.166 10 0 CEAEHN C[C@@](CC[N@@H+]1CCCC(C)(C)C1)(NC1CC1)C(=O)[O-] ZINC000069517128 525739844 /nfs/dbraw/zinc/73/98/44/525739844.db2.gz PYYTZYPQEDCXJX-HNNXBMFYSA-N 0 3 268.401 2.094 10 0 CEAEHN C[C@@](CCN1CCCC(C)(C)C1)([NH2+]C1CC1)C(=O)[O-] ZINC000069517128 525739839 /nfs/dbraw/zinc/73/98/39/525739839.db2.gz PYYTZYPQEDCXJX-HNNXBMFYSA-N 0 3 268.401 2.094 10 0 CEAEHN C[C@@](CC[N@H+]1CCCC(C)(C)C1)(NC1CC1)C(=O)[O-] ZINC000069517128 525739853 /nfs/dbraw/zinc/73/98/53/525739853.db2.gz PYYTZYPQEDCXJX-HNNXBMFYSA-N 0 3 268.401 2.094 10 0 CEAEHN C[C@@](O)(COc1ccc2c(c1)OC[C@@H]2N)c1ccccc1 ZINC000062803389 525779915 /nfs/dbraw/zinc/77/99/15/525779915.db2.gz HQCCGDWYAUVYBM-DOTOQJQBSA-N 0 3 285.343 2.365 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(CC(F)(F)F)CCN1 ZINC000068693666 525900911 /nfs/dbraw/zinc/90/09/11/525900911.db2.gz DAVBZCGYRFFAAO-LBPRGKRZSA-N 0 3 258.287 2.369 10 0 CEAEHN Cc1ccc([C@H](C)NS(=O)(=O)c2ccccc2CN)o1 ZINC000049204556 525932796 /nfs/dbraw/zinc/93/27/96/525932796.db2.gz DAJIPIZBMLVPOK-NSHDSACASA-N 0 3 294.376 2.086 10 0 CEAEHN Cc1ccc(=O)n(C[C@H](N)c2cccc3ccccc32)n1 ZINC000061810452 525977531 /nfs/dbraw/zinc/97/75/31/525977531.db2.gz TXHWXRHOWDMHGM-INIZCTEOSA-N 0 3 279.343 2.405 10 0 CEAEHN Cc1ccc([C@H]([C@@H](C)N)N(CCO)Cc2ccccc2)o1 ZINC000050513890 525978033 /nfs/dbraw/zinc/97/80/33/525978033.db2.gz RJKZVAIBTGAKOT-PBHICJAKSA-N 0 3 288.391 2.471 10 0 CEAEHN Cc1nn(CCCOc2ccccc2)c(C)c1CN ZINC000061816284 526280654 /nfs/dbraw/zinc/28/06/54/526280654.db2.gz VNOSBFPZJMMWFV-UHFFFAOYSA-N 0 3 259.353 2.428 10 0 CEAEHN Cc1csc(SC[C@@](NC(C)C)(C(N)=O)C2CC2)n1 ZINC000069187862 526398253 /nfs/dbraw/zinc/39/82/53/526398253.db2.gz UWIDEXQAZBNTJL-ZDUSSCGKSA-N 0 3 299.465 2.176 10 0 CEAEHN Cc1oc(CNC(C)C)cc1CN1CCOC[C@@H]1C ZINC000052476087 526775371 /nfs/dbraw/zinc/77/53/71/526775371.db2.gz OFMVHVJNLVPGCR-LBPRGKRZSA-N 0 3 266.385 2.307 10 0 CEAEHN NC(=O)[C@H](CCSC1CCCCC1)NC1CC1 ZINC000062601040 526992538 /nfs/dbraw/zinc/99/25/38/526992538.db2.gz OTUOMLDNBOMKJB-LBPRGKRZSA-N 0 3 256.415 2.048 10 0 CEAEHN NC(=O)[C@H](CCSc1ccc2c(c1)CCC2)NC1CC1 ZINC000062600475 526992858 /nfs/dbraw/zinc/99/28/58/526992858.db2.gz MKNITDFRXMUZHQ-HNNXBMFYSA-N 0 3 290.432 2.263 10 0 CEAEHN NC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000061610854 527223541 /nfs/dbraw/zinc/22/35/41/527223541.db2.gz ZOTFFVXAHQLHCS-HNNXBMFYSA-N 0 3 272.323 2.184 10 0 CEAEHN NC[C@H](c1cc2ccccc2o1)N1CCSCC1 ZINC000068810869 527228735 /nfs/dbraw/zinc/22/87/35/527228735.db2.gz UTUHGHCWOCWOSK-GFCCVEGCSA-N 0 3 262.378 2.481 10 0 CEAEHN NCc1c2ccccc2oc1COC[C@H]1CCOC1 ZINC000052704671 527243571 /nfs/dbraw/zinc/24/35/71/527243571.db2.gz QPQYGPQGXGEUCA-NSHDSACASA-N 0 3 261.321 2.445 10 0 CEAEHN NCc1ccc(F)cc1CS(=O)(=O)c1ccccc1 ZINC000069403888 527254284 /nfs/dbraw/zinc/25/42/84/527254284.db2.gz RCDJUGNCYJZJIF-UHFFFAOYSA-N 0 3 279.336 2.258 10 0 CEAEHN NCc1ncccc1CN1CCc2sccc2C1 ZINC000061656555 527266560 /nfs/dbraw/zinc/26/65/60/527266560.db2.gz DSCQRSLSKUXJSR-UHFFFAOYSA-N 0 3 259.378 2.160 10 0 CEAEHN NN=c1[nH]cc(C(=O)N2CCCCCCC2)cc1Cl ZINC000051092988 527287442 /nfs/dbraw/zinc/28/74/42/527287442.db2.gz YEYCFMBFDOLHEY-UHFFFAOYSA-N 0 3 282.775 2.427 10 0 CEAEHN N[C@H](c1nc2cc(Br)cnc2[nH]1)C1CC1 ZINC000054502155 527392559 /nfs/dbraw/zinc/39/25/59/527392559.db2.gz MYVMASZGADDXCI-QMMMGPOBSA-N 0 3 267.130 2.130 10 0 CEAEHN [NH3+][C@H](c1nc2cc(Br)cnc2[n-]1)C1CC1 ZINC000054502155 527392565 /nfs/dbraw/zinc/39/25/65/527392565.db2.gz MYVMASZGADDXCI-QMMMGPOBSA-N 0 3 267.130 2.130 10 0 CEAEHN N[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)C1CC1 ZINC000054501687 527392785 /nfs/dbraw/zinc/39/27/85/527392785.db2.gz HRQNHQKANWUMBT-ZDUSSCGKSA-N 0 3 259.309 2.134 10 0 CEAEHN Cc1nn(C)c(N2CC[C@@H](C)C2)c1CNC(C)(C)C ZINC000062736632 527676857 /nfs/dbraw/zinc/67/68/57/527676857.db2.gz VEYBGGGUSAXFJW-LLVKDONJSA-N 0 3 264.417 2.463 10 0 CEAEHN CCC(N)(CC)C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000094243527 535182457 /nfs/dbraw/zinc/18/24/57/535182457.db2.gz ZYFHZKLMZPRNTF-UHFFFAOYSA-N 0 3 289.423 2.161 10 0 CEAEHN COc1ccccc1N1CCN([C@@H]2CCC[C@@H](O)C2)CC1 ZINC000093731517 537069806 /nfs/dbraw/zinc/06/98/06/537069806.db2.gz XLPROLVZOLIHLN-HUUCEWRRSA-N 0 3 290.407 2.121 10 0 CEAEHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([O-])c(F)c1 ZINC000235379313 625354559 /nfs/dbraw/zinc/35/45/59/625354559.db2.gz JKNBCZDUPHTJFA-DGCLKSJQSA-N 0 3 264.344 2.200 10 0 CEAEHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([O-])c(F)c1 ZINC000235379313 625354565 /nfs/dbraw/zinc/35/45/65/625354565.db2.gz JKNBCZDUPHTJFA-DGCLKSJQSA-N 0 3 264.344 2.200 10 0 CEAEHN CCC[C@H](C(=O)NCCSC(F)(F)F)N(C)C ZINC000179515413 625564270 /nfs/dbraw/zinc/56/42/70/625564270.db2.gz QTLQCBLRJZSLST-MRVPVSSYSA-N 0 3 272.336 2.086 10 0 CEAEHN CN(C)C[C@H](NC(=O)/C=C/c1ccc[nH]1)c1ccccc1 ZINC000189647791 628316376 /nfs/dbraw/zinc/31/63/76/628316376.db2.gz XPLBNHPQLSJJJJ-OFAQMXQXSA-N 0 3 283.375 2.447 10 0 CEAEHN Cc1nsc(NC[C@H]2NCCc3ccccc32)n1 ZINC000261574291 628939681 /nfs/dbraw/zinc/93/96/81/628939681.db2.gz MSBJQCZGFKPNCS-GFCCVEGCSA-N 0 3 260.366 2.145 10 0 CEAEHN CC(C)Nc1ncnc2c1ncn2CN1CCC(C)CC1 ZINC000170789767 639676245 /nfs/dbraw/zinc/67/62/45/639676245.db2.gz NGPIGODMDRJNHF-UHFFFAOYSA-N 0 3 288.399 2.336 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NCC[S@@](C)=O ZINC000131423658 652424396 /nfs/dbraw/zinc/42/43/96/652424396.db2.gz QFTCVEPTWBHJNK-DIFFPNOSSA-N 0 3 255.383 2.114 10 0 CEAEHN NC[C@H](O[C@@H]1CCOC1)c1cc(Br)cs1 ZINC000082453056 178032176 /nfs/dbraw/zinc/03/21/76/178032176.db2.gz OLJGPGRKRSTFKY-BDAKNGLRSA-N 0 3 292.198 2.316 10 0 CEAEHN COc1cccc(OC)c1[C@H](N)C1CCOCC1 ZINC000095825640 185028617 /nfs/dbraw/zinc/02/86/17/185028617.db2.gz OQRRHCJVBAJVJD-CQSZACIVSA-N 0 3 251.326 2.130 10 0 CEAEHN COCCNCc1cnn(-c2ccc(F)cc2)c1C ZINC000082660814 178147429 /nfs/dbraw/zinc/14/74/29/178147429.db2.gz OJEKPEVOFUBFEP-UHFFFAOYSA-N 0 3 263.316 2.056 10 0 CEAEHN c1n[nH]cc1NC1CCN(Cc2ccccc2)CC1 ZINC000035764050 361821026 /nfs/dbraw/zinc/82/10/26/361821026.db2.gz OXTAVFLLUBAOIJ-UHFFFAOYSA-N 0 3 256.353 2.486 10 0 CEAEHN CN(C)c1ccc(-c2n[nH]c3c2CN(C)CC3)cc1 ZINC000082807648 178310400 /nfs/dbraw/zinc/31/04/00/178310400.db2.gz MGTGHAMJWKHXQA-UHFFFAOYSA-N 0 3 256.353 2.131 10 0 CEAEHN COc1cccc(CN[C@@H]2CCC[C@H](O)C2)c1OC ZINC000037165275 361902225 /nfs/dbraw/zinc/90/22/25/361902225.db2.gz RBLVBTPEBPJFOW-OLZOCXBDSA-N 0 3 265.353 2.097 10 0 CEAEHN C[C@@H]1C[C@]2(CN1C)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005824 185150649 /nfs/dbraw/zinc/15/06/49/185150649.db2.gz DPBKPPQLSFUTSC-LJWDBELGSA-N 0 3 251.301 2.104 10 0 CEAEHN Cc1ccc2c(c1Br)[C@]1(C[C@@H]1N)CN2 ZINC000725247463 539192687 /nfs/dbraw/zinc/19/26/87/539192687.db2.gz NJSSIKHLCONILP-GZMMTYOYSA-N 0 3 253.143 2.152 10 0 CEAEHN OCC[C@H](CO)N(Cc1ccccc1)Cc1ccccc1 ZINC000034380706 343419479 /nfs/dbraw/zinc/41/94/79/343419479.db2.gz KPPQWUMLKSULQV-GOSISDBHSA-N 0 3 285.387 2.432 10 0 CEAEHN C[C@H](NCc1cnc2ccccc2n1)[C@@H]1CCCO1 ZINC000037242469 343426164 /nfs/dbraw/zinc/42/61/64/343426164.db2.gz ROWDGWUBARXETF-NHYWBVRUSA-N 0 3 257.337 2.287 10 0 CEAEHN c1cc(CNCC[C@@H]2CCCO2)c2c(c1)OCCO2 ZINC000038052047 343433102 /nfs/dbraw/zinc/43/31/02/343433102.db2.gz UHPCKXCXANUFHL-ZDUSSCGKSA-N 0 3 263.337 2.117 10 0 CEAEHN COc1ccccc1[C@@H](N)[C@@H](N)c1ccccc1OC ZINC000038438648 343434162 /nfs/dbraw/zinc/43/41/62/343434162.db2.gz CTMKVJFFLNHDQE-IYBDPMFKSA-N 0 3 272.348 2.404 10 0 CEAEHN COCCC1(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCCC1 ZINC000127364477 365743130 /nfs/dbraw/zinc/74/31/30/365743130.db2.gz SPRGUODNCDDQOP-CABCVRRESA-N 0 3 296.455 2.428 10 0 CEAEHN CC(=O)Nc1ccc(N2CCN(c3ccncc3)CC2)cc1 ZINC000150109348 136393129 /nfs/dbraw/zinc/39/31/29/136393129.db2.gz BQWDEZPYZHUBOG-UHFFFAOYSA-N 0 3 296.374 2.367 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2ccoc2C)C1 ZINC000056752810 343619847 /nfs/dbraw/zinc/61/98/47/343619847.db2.gz QIAZZEIJCLERLF-AWEZNQCLSA-N 0 3 279.384 2.214 10 0 CEAEHN C[C@@H](NCCn1cncn1)c1cccc(Br)c1 ZINC000336718870 365782670 /nfs/dbraw/zinc/78/26/70/365782670.db2.gz VMGINEDNFCCJFW-SNVBAGLBSA-N 0 3 295.184 2.391 10 0 CEAEHN C/C(=C\c1ccccc1)CN1CCO[C@@H](CN(C)C)C1 ZINC000128198165 187356137 /nfs/dbraw/zinc/35/61/37/187356137.db2.gz KSBMFXPJPQTXPF-JMPLCFMRSA-N 0 3 274.408 2.352 10 0 CEAEHN CN1CCO[C@@H](CNCc2ccc(C(C)(C)C)s2)C1 ZINC000127071218 187280849 /nfs/dbraw/zinc/28/08/49/187280849.db2.gz HNXIRSMLVLKEBO-LBPRGKRZSA-N 0 3 282.453 2.466 10 0 CEAEHN NCc1c(Br)scc1[C@H]1CCOC1 ZINC000132822165 344365916 /nfs/dbraw/zinc/36/59/16/344365916.db2.gz PGXGUDBRMBZARC-LURJTMIESA-N 0 3 262.172 2.473 10 0 CEAEHN C[C@H](Cc1ccccc1F)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000158682619 344451961 /nfs/dbraw/zinc/45/19/61/344451961.db2.gz KJFFUAQFLRYVNH-TZMCWYRMSA-N 0 3 278.371 2.167 10 0 CEAEHN CCCC[C@H](N)C(=O)N1CCC(C2CCOCC2)CC1 ZINC000195554777 344521907 /nfs/dbraw/zinc/52/19/07/344521907.db2.gz DORSVABKAOJVMC-HNNXBMFYSA-N 0 3 282.428 2.169 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)[C@@H](C)C1 ZINC000226196341 344548663 /nfs/dbraw/zinc/54/86/63/344548663.db2.gz YPJZSNCJSVZWCG-CLWVCHIJSA-N 0 3 274.408 2.497 10 0 CEAEHN CN[C@@H](CO)c1cc(Br)c(Cl)s1 ZINC000227936803 344557565 /nfs/dbraw/zinc/55/75/65/344557565.db2.gz YOENQMWJOKPVEE-YFKPBYRVSA-N 0 3 270.579 2.417 10 0 CEAEHN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000233303653 344581083 /nfs/dbraw/zinc/58/10/83/344581083.db2.gz CFZXVVAYXJTDBO-DFBGVHRSSA-N 0 3 258.365 2.178 10 0 CEAEHN CCOC(=O)C[C@H](O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000233988066 344582898 /nfs/dbraw/zinc/58/28/98/344582898.db2.gz JGSZMUGBTAMAHX-GWCFXTLKSA-N 0 3 285.771 2.305 10 0 CEAEHN N[C@@H](CF)c1ccc(I)cc1 ZINC000238574264 344607061 /nfs/dbraw/zinc/60/70/61/344607061.db2.gz NVRNYKAZRQWZDP-QMMMGPOBSA-N 0 3 265.069 2.261 10 0 CEAEHN C[C@@H]1CCC[C@@]1(N)c1ncc(Br)cn1 ZINC000307252300 344721212 /nfs/dbraw/zinc/72/12/12/344721212.db2.gz RWYVCAKGTYCMNS-XCBNKYQSSA-N 0 3 256.147 2.213 10 0 CEAEHN CNCc1cc(Br)ccc1N1CCC1 ZINC000307450034 344722880 /nfs/dbraw/zinc/72/28/80/344722880.db2.gz NTYYTAZXWRNCBT-UHFFFAOYSA-N 0 3 255.159 2.379 10 0 CEAEHN C[C@H]1C[C@@H](N2CCNC2=O)CCN1Cc1ccccc1 ZINC000306595380 344715369 /nfs/dbraw/zinc/71/53/69/344715369.db2.gz KVEFTJDRGLOBEJ-ZFWWWQNUSA-N 0 3 273.380 2.065 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2CO[C@@H](C)C2)c1C ZINC000402280789 344872368 /nfs/dbraw/zinc/87/23/68/344872368.db2.gz FZROYFMIGJBADW-OUJBWJOFSA-N 0 3 251.374 2.348 10 0 CEAEHN CC(C)[NH2+][C@H](C)[C@@H](O)c1ccc([O-])c2[nH]c(=O)ccc21 ZINC000584621437 344967233 /nfs/dbraw/zinc/96/72/33/344967233.db2.gz OKJIXKXNHUFUHR-RFAUZJTJSA-N 0 3 276.336 2.066 10 0 CEAEHN CC(C)CO[C@@H]1C[C@H](NCc2cn[nH]c2)C1(C)C ZINC000084461252 178890622 /nfs/dbraw/zinc/89/06/22/178890622.db2.gz CDDJJCOIFMFLMB-QWHCGFSZSA-N 0 3 251.374 2.339 10 0 CEAEHN CCN[C@H](c1cccc2c1OCCO2)[C@@H]1CCOC1 ZINC000097181644 185557901 /nfs/dbraw/zinc/55/79/01/185557901.db2.gz CPRQYYQEZMLJEZ-RISCZKNCSA-N 0 3 263.337 2.145 10 0 CEAEHN Cc1nc(-c2ccc(F)cc2)nc(N2CCNCC2)c1C ZINC000058047323 362605994 /nfs/dbraw/zinc/60/59/94/362605994.db2.gz UCFXYIXZQKYMQB-UHFFFAOYSA-N 0 3 286.354 2.309 10 0 CEAEHN COc1ncccc1[C@@H](N)Cc1ccncc1Cl ZINC000097239848 185572130 /nfs/dbraw/zinc/57/21/30/185572130.db2.gz KANLNOUMYZDRAC-LBPRGKRZSA-N 0 3 263.728 2.381 10 0 CEAEHN CCc1ccc(OC[C@@H](N)CO)c(C(C)(C)C)c1 ZINC000085282883 179000659 /nfs/dbraw/zinc/00/06/59/179000659.db2.gz ZPWNHHIKDYZNPB-LBPRGKRZSA-N 0 3 251.370 2.245 10 0 CEAEHN Cc1ccc([C@H](N)CN2c3ccccc3OCC2=O)cc1 ZINC000019264257 136576468 /nfs/dbraw/zinc/57/64/68/136576468.db2.gz TXEIPFNUWJVPGE-CQSZACIVSA-N 0 3 282.343 2.420 10 0 CEAEHN CCN[C@@H](c1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086020897 179218138 /nfs/dbraw/zinc/21/81/38/179218138.db2.gz AVKZIIHLEGRHCL-CMPLNLGQSA-N 0 3 273.423 2.142 10 0 CEAEHN CCN[C@H](c1sccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086022266 179218513 /nfs/dbraw/zinc/21/85/13/179218513.db2.gz IHSHNEAJCFPUBB-MNOVXSKESA-N 0 3 273.423 2.142 10 0 CEAEHN CCN[C@@H](c1ccc(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086021012 179219108 /nfs/dbraw/zinc/21/91/08/179219108.db2.gz ISLNSUVFZPUKAN-IUODEOHRSA-N 0 3 297.420 2.089 10 0 CEAEHN C[C@@H]([C@H]1CCCO1)N1CCN[C@H](c2ccccc2)C1 ZINC000086127810 179236058 /nfs/dbraw/zinc/23/60/58/179236058.db2.gz JCFYLTIBBDXRPN-CWRNSKLLSA-N 0 3 260.381 2.200 10 0 CEAEHN CO[C@H]1CCC[C@@H]1N1CCN[C@H](c2ccccc2)C1 ZINC000086146848 179239475 /nfs/dbraw/zinc/23/94/75/179239475.db2.gz KYVYUFLFMLPJPB-JYJNAYRXSA-N 0 3 260.381 2.200 10 0 CEAEHN COCc1nc(CN[C@H](C)CN2CCCCC2)cs1 ZINC000608053637 347558422 /nfs/dbraw/zinc/55/84/22/347558422.db2.gz VSDLRHYDKBBFDR-GFCCVEGCSA-N 0 3 283.441 2.254 10 0 CEAEHN CC[C@H]1CN[C@H](c2ccccc2)CN1Cc1nc(C)no1 ZINC000086260310 179259007 /nfs/dbraw/zinc/25/90/07/179259007.db2.gz QGZIUOMFSOKVES-GJZGRUSLSA-N 0 3 286.379 2.303 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1nc(Br)cs1 ZINC000086291041 179265512 /nfs/dbraw/zinc/26/55/12/179265512.db2.gz IJPBSMWQSAMVQM-QMMMGPOBSA-N 0 3 290.230 2.436 10 0 CEAEHN CCN1C(=O)CC[C@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317424 179270222 /nfs/dbraw/zinc/27/02/22/179270222.db2.gz AXCRKDGBKBVUJC-BLLLJJGKSA-N 0 3 269.348 2.246 10 0 CEAEHN CN(C[C@H](O)CN1CCCC[C@@H]1c1nccs1)C1CC1 ZINC000336836043 365905867 /nfs/dbraw/zinc/90/58/67/365905867.db2.gz KHNNBIKUMXLIQB-UONOGXRCSA-N 0 3 295.452 2.125 10 0 CEAEHN CN[C@@H]1CCCc2sc(N(C)CCN3CCCC3)nc21 ZINC000086444100 179293760 /nfs/dbraw/zinc/29/37/60/179293760.db2.gz GTOKDHKYPSEANB-GFCCVEGCSA-N 0 3 294.468 2.272 10 0 CEAEHN CCO[C@@H]1CCCN(c2nc3c(s2)CCC[C@@H]3N)C1 ZINC000086443927 179294150 /nfs/dbraw/zinc/29/41/50/179294150.db2.gz GTHKWYHSXCDMIR-MNOVXSKESA-N 0 3 281.425 2.485 10 0 CEAEHN CCCN(CCN(C)C)c1nc2c(s1)CCC[C@H]2O ZINC000086444629 179294579 /nfs/dbraw/zinc/29/45/79/179294579.db2.gz CLQYVPFWYPMPST-LLVKDONJSA-N 0 3 283.441 2.291 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1cccs1 ZINC000086447606 179295340 /nfs/dbraw/zinc/29/53/40/179295340.db2.gz IHOVQVVJGXKTMC-NWDGAFQWSA-N 0 3 266.410 2.280 10 0 CEAEHN CCNc1ncc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000130097711 365924305 /nfs/dbraw/zinc/92/43/05/365924305.db2.gz AZDRCYOAOXMLKJ-WDEREUQCSA-N 0 3 296.440 2.033 10 0 CEAEHN CN[C@@H](CN(C)C)c1cscc1Br ZINC000086555968 179307211 /nfs/dbraw/zinc/30/72/11/179307211.db2.gz ZZXDSFSUWYFVPJ-VIFPVBQESA-N 0 3 263.204 2.333 10 0 CEAEHN COc1ccc([C@H](CN)N2CCOC(C)(C)C2)cc1Cl ZINC000086586525 179309992 /nfs/dbraw/zinc/30/99/92/179309992.db2.gz GTCSMDFBYJASEJ-ZDUSSCGKSA-N 0 3 298.814 2.459 10 0 CEAEHN Fc1cc(Br)cc(COC2CNC2)c1 ZINC000086694909 179320614 /nfs/dbraw/zinc/32/06/14/179320614.db2.gz GGGIJHTVEHCKHG-UHFFFAOYSA-N 0 3 260.106 2.077 10 0 CEAEHN C[C@H](N[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 ZINC000086670909 179317585 /nfs/dbraw/zinc/31/75/85/179317585.db2.gz MQYDORZNCBTQMT-GDLCADMTSA-N 0 3 285.384 2.442 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@H]1NCc1cc2c(s1)CCC2 ZINC000086675451 179318552 /nfs/dbraw/zinc/31/85/52/179318552.db2.gz RXQJKWGPJUUMAM-OCCSQVGLSA-N 0 3 299.461 2.292 10 0 CEAEHN C[C@H](Cc1ccccc1)N[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676011 179319613 /nfs/dbraw/zinc/31/96/13/179319613.db2.gz QIOWMJKKJHOIJG-YUELXQCFSA-N 0 3 281.421 2.173 10 0 CEAEHN CCCN1CCC[C@@](N[C@@H](C)CC)(C(=O)OC)CC1 ZINC000086850509 179357864 /nfs/dbraw/zinc/35/78/64/179357864.db2.gz CSNRTLWNBVKCID-ZFWWWQNUSA-N 0 3 270.417 2.182 10 0 CEAEHN CN[C@@]1(c2nc(C)c(C)s2)CCCN(C)CC1 ZINC000086833637 179350391 /nfs/dbraw/zinc/35/03/91/179350391.db2.gz HUEYVQJNXFCODA-ZDUSSCGKSA-N 0 3 253.415 2.290 10 0 CEAEHN CCN1CCC[C@@](N)(c2nc3c(s2)CCC3)CC1 ZINC000086851344 179360030 /nfs/dbraw/zinc/36/00/30/179360030.db2.gz SXTRCNNLKAZABK-AWEZNQCLSA-N 0 3 265.426 2.292 10 0 CEAEHN CC[N@H+](C[C@H](C)C(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868949 179362669 /nfs/dbraw/zinc/36/26/69/179362669.db2.gz NVYULFRZBYXFEY-UONOGXRCSA-N 0 3 270.417 2.292 10 0 CEAEHN CC[N@@H+](C[C@H](C)C(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868949 179362671 /nfs/dbraw/zinc/36/26/71/179362671.db2.gz NVYULFRZBYXFEY-UONOGXRCSA-N 0 3 270.417 2.292 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1cc(F)c(F)c(F)c1 ZINC000086979106 179372400 /nfs/dbraw/zinc/37/24/00/179372400.db2.gz OLIPOXQCEOATPN-NSHDSACASA-N 0 3 295.326 2.319 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)CCC[C@@H](C)CC1 ZINC000086891865 179366291 /nfs/dbraw/zinc/36/62/91/179366291.db2.gz CBRFWSRLIYWJQT-GDBMZVCRSA-N 0 3 284.444 2.430 10 0 CEAEHN CC(C)[C@@H]1CCC[C@](NC[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000086949351 179368603 /nfs/dbraw/zinc/36/86/03/179368603.db2.gz YDZGVYKHVZZNTR-IJEWVQPXSA-N 0 3 282.428 2.215 10 0 CEAEHN CCS(=O)(=O)CCCOc1ccccc1[C@@H](C)NC ZINC000086972816 179371622 /nfs/dbraw/zinc/37/16/22/179371622.db2.gz FOXFNJZDCCVNBF-GFCCVEGCSA-N 0 3 285.409 2.171 10 0 CEAEHN CC[C@](C)(O)CNCC(=O)Nc1cccc(Cl)c1 ZINC000087028090 179382040 /nfs/dbraw/zinc/38/20/40/179382040.db2.gz SUQCBTVUHPKGHS-ZDUSSCGKSA-N 0 3 270.760 2.029 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NCC1(O)CCCCC1 ZINC000087017432 179380658 /nfs/dbraw/zinc/38/06/58/179380658.db2.gz IKBOQNRPBMIOJD-NSHDSACASA-N 0 3 265.401 2.383 10 0 CEAEHN CCC(O)(CC)CNCC(=O)Nc1ccc(Cl)cc1 ZINC000087028541 179381646 /nfs/dbraw/zinc/38/16/46/179381646.db2.gz LTRRECVRURLVOQ-UHFFFAOYSA-N 0 3 284.787 2.419 10 0 CEAEHN COc1ccc([C@H]2[C@@H](N)CCC(=O)N2C(C)C)cc1F ZINC000086995179 179376148 /nfs/dbraw/zinc/37/61/48/179376148.db2.gz MKJPMHPZEUPUMN-WFASDCNBSA-N 0 3 280.343 2.234 10 0 CEAEHN CCCN1C(=O)CC[C@H](N)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995169 179376233 /nfs/dbraw/zinc/37/62/33/179376233.db2.gz RZPUSZKNRLRIDG-WFASDCNBSA-N 0 3 280.343 2.235 10 0 CEAEHN Cc1nc(CNCC2(O)CCC(C)(C)CC2)c[nH]1 ZINC000087048222 179388237 /nfs/dbraw/zinc/38/82/37/179388237.db2.gz ZKANJSAIYKSGEP-UHFFFAOYSA-N 0 3 251.374 2.139 10 0 CEAEHN Cc1ncc(CNCC2(O)CCC(C)(C)CC2)[nH]1 ZINC000087048222 179388238 /nfs/dbraw/zinc/38/82/38/179388238.db2.gz ZKANJSAIYKSGEP-UHFFFAOYSA-N 0 3 251.374 2.139 10 0 CEAEHN CC[NH2+]CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000087049124 179388770 /nfs/dbraw/zinc/38/87/70/179388770.db2.gz DLRPOOKQFMXYKH-UHFFFAOYSA-N 0 3 287.157 2.093 10 0 CEAEHN CNCc1cc(Br)ccc1O[C@@H](C)[C@@H](C)O ZINC000087125416 179395939 /nfs/dbraw/zinc/39/59/39/179395939.db2.gz AGPZQBBECGAYRB-BDAKNGLRSA-N 0 3 288.185 2.317 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2cccc3cnccc32)C[C@H]1C ZINC000248393916 539632998 /nfs/dbraw/zinc/63/29/98/539632998.db2.gz XJRSRLRMYPRMJR-CABCVRRESA-N 0 3 299.418 2.122 10 0 CEAEHN CCN1CCN(c2ccc(NC=O)c(OC(C)C)c2)CC1 ZINC000616220644 348462218 /nfs/dbraw/zinc/46/22/18/348462218.db2.gz DMYWMWZUARARMJ-UHFFFAOYSA-N 0 3 291.395 2.184 10 0 CEAEHN CCCN[C@@](C)(CC(=O)OCC)c1cccnc1 ZINC000087550919 179445287 /nfs/dbraw/zinc/44/52/87/179445287.db2.gz RHLSRWGQJMHJRP-AWEZNQCLSA-N 0 3 250.342 2.250 10 0 CEAEHN CCN[C@@](C)(CCO)c1ccccc1OC(F)F ZINC000087564158 179446796 /nfs/dbraw/zinc/44/67/96/179446796.db2.gz FQRDUEQNAUORJY-ZDUSSCGKSA-N 0 3 259.296 2.495 10 0 CEAEHN CC(C)(C)N1CCN[C@@H](c2cc3ccccc3nn2)C1 ZINC000616632662 348541587 /nfs/dbraw/zinc/54/15/87/348541587.db2.gz WHQRBCMYPNDGCN-OAHLLOKOSA-N 0 3 270.380 2.375 10 0 CEAEHN c1cn([C@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000616652379 348548441 /nfs/dbraw/zinc/54/84/41/348548441.db2.gz WPBBUTFYDVVBHQ-OAHLLOKOSA-N 0 3 257.337 2.304 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1CCOCCN1C(C)(C)C ZINC000616655614 348549921 /nfs/dbraw/zinc/54/99/21/348549921.db2.gz IAFGKRHBDKIAEN-GFCCVEGCSA-N 0 3 286.416 2.401 10 0 CEAEHN CC[C@H]1CCOCCN1CCNC(=O)OC(C)(C)C ZINC000616657753 348550521 /nfs/dbraw/zinc/55/05/21/348550521.db2.gz NYUDAGGQUVZMTP-LBPRGKRZSA-N 0 3 272.389 2.012 10 0 CEAEHN COc1ccc(-n2cc(CN)cn2)c(Br)c1 ZINC000616571699 348524357 /nfs/dbraw/zinc/52/43/57/348524357.db2.gz ZZUTUCASYXSVHI-UHFFFAOYSA-N 0 3 282.141 2.102 10 0 CEAEHN COC(=O)c1cnc(-c2ccccc2)nc1[C@@H]1CCCN1 ZINC000616580024 348526260 /nfs/dbraw/zinc/52/62/60/348526260.db2.gz STIHXXAVCBPBLY-ZDUSSCGKSA-N 0 3 283.331 2.355 10 0 CEAEHN CCN1CCOC[C@@H](c2cnnc3ccccc32)C1 ZINC000616596745 348529047 /nfs/dbraw/zinc/52/90/47/348529047.db2.gz AOGJPXXXXPINEH-LBPRGKRZSA-N 0 3 257.337 2.066 10 0 CEAEHN OCCN1CCCC[C@H]1c1cc2ccccc2nn1 ZINC000616616091 348534766 /nfs/dbraw/zinc/53/47/66/348534766.db2.gz GBCPIOSJQKOIPO-HNNXBMFYSA-N 0 3 257.337 2.149 10 0 CEAEHN CCN1CCOC[C@@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616661212 348552747 /nfs/dbraw/zinc/55/27/47/348552747.db2.gz MFGWAYVQIRZQDH-AWEZNQCLSA-N 0 3 262.353 2.081 10 0 CEAEHN CCN1CCOC[C@H](c2cc3ccccc3nn2)C1 ZINC000616661991 348552857 /nfs/dbraw/zinc/55/28/57/348552857.db2.gz XSFQZXAXKSNLKI-CYBMUJFWSA-N 0 3 257.337 2.066 10 0 CEAEHN CN(C(=O)OC(C)(C)C)[C@@H]1COCCN(C(C)(C)C)C1 ZINC000616661776 348553054 /nfs/dbraw/zinc/55/30/54/348553054.db2.gz YBHWAZCDSDVOCJ-LBPRGKRZSA-N 0 3 286.416 2.353 10 0 CEAEHN c1ccc(CN2CCO[C@@H](c3cccnn3)CC2)cc1 ZINC000616663934 348554826 /nfs/dbraw/zinc/55/48/26/348554826.db2.gz WQSNGMHAMIDZBW-MRXNPFEDSA-N 0 3 269.348 2.440 10 0 CEAEHN CCN1CCO[C@H](c2ccc3ccnnc3c2)CC1 ZINC000616687294 348560734 /nfs/dbraw/zinc/56/07/34/348560734.db2.gz SJVRGVKSVJNTKV-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CN[C@@H](Cc1ncnn1C)c1ccc(Cl)cc1F ZINC000088582181 179629538 /nfs/dbraw/zinc/62/95/38/179629538.db2.gz JVBWLNHWZRYAFM-NSHDSACASA-N 0 3 268.723 2.111 10 0 CEAEHN CCCn1ncnc1C[C@H](NCC)c1cccc(C)n1 ZINC000088612251 179639371 /nfs/dbraw/zinc/63/93/71/179639371.db2.gz YNBLJEAYALNRHW-AWEZNQCLSA-N 0 3 273.384 2.285 10 0 CEAEHN Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)ccc1Cl ZINC000130443800 365957734 /nfs/dbraw/zinc/95/77/34/365957734.db2.gz HGJBCBXOAPBLPY-ZDUSSCGKSA-N 0 3 296.798 2.051 10 0 CEAEHN Cc1nn(CCOC(F)(F)F)c(C)c1CNC1CC1 ZINC000089055947 179695003 /nfs/dbraw/zinc/69/50/03/179695003.db2.gz LPJQHLQCWARMDQ-UHFFFAOYSA-N 0 3 277.290 2.288 10 0 CEAEHN O[C@H]1CCCC[C@H]1CNCc1ccncc1Cl ZINC000088781487 539685181 /nfs/dbraw/zinc/68/51/81/539685181.db2.gz FJGLREWWCBBSAO-AAEUAGOBSA-N 0 3 254.761 2.376 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(CCOc2cccc(Cl)c2)C1 ZINC000401723933 233184412 /nfs/dbraw/zinc/18/44/12/233184412.db2.gz ZJZRVWWNTYGVDE-WCQYABFASA-N 0 3 269.772 2.422 10 0 CEAEHN CN1C[C@H](CNCc2ccsc2C(F)(F)F)CC1=O ZINC000623571128 350054172 /nfs/dbraw/zinc/05/41/72/350054172.db2.gz NKMDXIXIYMMVTQ-QMMMGPOBSA-N 0 3 292.326 2.335 10 0 CEAEHN CC(C)n1c2ccc(F)cc2nc1[C@@]1(C)COC[C@H]1N ZINC000090571727 180007561 /nfs/dbraw/zinc/00/75/61/180007561.db2.gz AJNLVORXSKUDII-HIFRSBDPSA-N 0 3 277.343 2.372 10 0 CEAEHN C[C@]1(c2nc3c(cccc3F)n2C2CC2)COC[C@H]1N ZINC000090571798 180008042 /nfs/dbraw/zinc/00/80/42/180008042.db2.gz HMWGGKWIJUQIBE-DOMZBBRYSA-N 0 3 275.327 2.126 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)COC[C@@H]1N ZINC000090580345 180008230 /nfs/dbraw/zinc/00/82/30/180008230.db2.gz XQMTVMYRFWNFBF-JQWIXIFHSA-N 0 3 289.162 2.296 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc3ccccc3c2)COC[C@H]1N ZINC000090585805 180009680 /nfs/dbraw/zinc/00/96/80/180009680.db2.gz FAGHZMHRZGHYHB-ZBFHGGJFSA-N 0 3 270.332 2.142 10 0 CEAEHN C[C@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1ccccc1CN ZINC000090671986 180020968 /nfs/dbraw/zinc/02/09/68/180020968.db2.gz HBKHWLYFJXOWQO-IUCAKERBSA-N 0 3 290.285 2.440 10 0 CEAEHN CCN[C@](CO)(CO[C@H](C)C(F)(F)F)c1ccccc1 ZINC000090675981 180022418 /nfs/dbraw/zinc/02/24/18/180022418.db2.gz YXWQFZAHLQURRD-DGCLKSJQSA-N 0 3 291.313 2.451 10 0 CEAEHN CCOc1cc(NC[C@H](C)N2CCCCC2)nc(C)n1 ZINC000090791948 180042560 /nfs/dbraw/zinc/04/25/60/180042560.db2.gz LCAVWWNBLCGLGM-LBPRGKRZSA-N 0 3 278.400 2.470 10 0 CEAEHN CC(=O)Nc1cccc([C@H](C)NC[C@H](C)[S@](C)=O)c1 ZINC000090842179 180043875 /nfs/dbraw/zinc/04/38/75/180043875.db2.gz XFSKMMNKZCJEJH-ZHYXMNDGSA-N 0 3 282.409 2.063 10 0 CEAEHN COC(=O)CCCN(C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090894728 180056364 /nfs/dbraw/zinc/05/63/64/180056364.db2.gz RKFSHDZETHTFRB-CYBMUJFWSA-N 0 3 281.327 2.014 10 0 CEAEHN Cc1cccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000090905809 180061184 /nfs/dbraw/zinc/06/11/84/180061184.db2.gz JCPDEAJYNLTRMY-IJEWVQPXSA-N 0 3 260.381 2.166 10 0 CEAEHN Cc1ccc([C@H](N)CN2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090905994 180061422 /nfs/dbraw/zinc/06/14/22/180061422.db2.gz IDIFZQFFPWPGEL-OWCLPIDISA-N 0 3 260.381 2.166 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1csc([C@@H](C)N)n1 ZINC000090958312 180074439 /nfs/dbraw/zinc/07/44/39/180074439.db2.gz WACQARIKFSSGGP-WDEREUQCSA-N 0 3 271.430 2.410 10 0 CEAEHN COC[C@H](NCc1sccc1NC(C)=O)C(C)C ZINC000090960838 180076235 /nfs/dbraw/zinc/07/62/35/180076235.db2.gz QZJDERVAZNMGKY-LBPRGKRZSA-N 0 3 270.398 2.467 10 0 CEAEHN CC(=O)Nc1ccccc1CNC1(CO)CCCC1 ZINC000090962564 180077075 /nfs/dbraw/zinc/07/70/75/180077075.db2.gz LKVAVHCXMYVLLT-UHFFFAOYSA-N 0 3 262.353 2.040 10 0 CEAEHN CC(=O)Nc1ccccc1CNC[C@H]1CCCCN1C ZINC000090962468 180077158 /nfs/dbraw/zinc/07/71/58/180077158.db2.gz NDSJCAIIQRMVLB-OAHLLOKOSA-N 0 3 275.396 2.219 10 0 CEAEHN c1ncn(C[C@@H]2Cc3ccccc32)c1CNC1CC1 ZINC000090993502 180082296 /nfs/dbraw/zinc/08/22/96/180082296.db2.gz WKZABFYFISAOCR-ZDUSSCGKSA-N 0 3 253.349 2.475 10 0 CEAEHN CNCc1cccn1CC(=O)Nc1ccccc1Cl ZINC000090995800 180082729 /nfs/dbraw/zinc/08/27/29/180082729.db2.gz FYHCAJHJVLDZAX-UHFFFAOYSA-N 0 3 277.755 2.500 10 0 CEAEHN COc1cccc(Cn2cccc2CNC2CC2)n1 ZINC000091001535 180083353 /nfs/dbraw/zinc/08/33/53/180083353.db2.gz CWEYAPZWPGSXHJ-UHFFFAOYSA-N 0 3 257.337 2.192 10 0 CEAEHN C[C@@H](NC(=O)C[C@@H]1CSCCN1)c1ccccc1F ZINC000091135397 180103770 /nfs/dbraw/zinc/10/37/70/180103770.db2.gz BWTIGGPYHJLAJM-GHMZBOCLSA-N 0 3 282.384 2.098 10 0 CEAEHN NCc1cnn(Cc2ccc(F)cc2)c1C(F)F ZINC000091339015 180136146 /nfs/dbraw/zinc/13/61/46/180136146.db2.gz STUVVDWADAYIOV-UHFFFAOYSA-N 0 3 255.243 2.467 10 0 CEAEHN CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1)c1ccccn1 ZINC000091359184 180140639 /nfs/dbraw/zinc/14/06/39/180140639.db2.gz ZFOGOLLTKTWGRW-IHRRRGAJSA-N 0 3 273.380 2.355 10 0 CEAEHN NC[C@@H](c1cncn1C1CC1)N(Cc1ccco1)C1CC1 ZINC000091276441 180120263 /nfs/dbraw/zinc/12/02/63/180120263.db2.gz HJAZKLHRTLXRIP-HNNXBMFYSA-N 0 3 286.379 2.475 10 0 CEAEHN CCCn1cncc1-c1ncc2c(n1)CCC[C@H]2N ZINC000091278089 180121196 /nfs/dbraw/zinc/12/11/96/180121196.db2.gz BSBYOVRYJWNPDA-LLVKDONJSA-N 0 3 257.341 2.086 10 0 CEAEHN CCN(C(=O)C[C@H]1CSCCN1)c1cccc(F)c1 ZINC000091290670 180121849 /nfs/dbraw/zinc/12/18/49/180121849.db2.gz JCJMOCURUQESKU-LBPRGKRZSA-N 0 3 282.384 2.274 10 0 CEAEHN CC(C)n1c(C[C@H]2CNCCO2)nc2cc(F)ccc21 ZINC000091293218 180124172 /nfs/dbraw/zinc/12/41/72/180124172.db2.gz MPKMGWGEUJHQSA-LBPRGKRZSA-N 0 3 277.343 2.287 10 0 CEAEHN COC[C@H](C)NCc1cnc(C)n1-c1ccccc1 ZINC000091437401 180155216 /nfs/dbraw/zinc/15/52/16/180155216.db2.gz PJUXWPHHPNKUFA-LBPRGKRZSA-N 0 3 259.353 2.305 10 0 CEAEHN CN(CCC(=O)c1ccc(F)cc1)CC1CC(O)C1 ZINC000091463039 180162042 /nfs/dbraw/zinc/16/20/42/180162042.db2.gz JHHTYGFNAFVJBN-UHFFFAOYSA-N 0 3 265.328 2.101 10 0 CEAEHN Cc1cc([C@@H](CN)N2CCOCC2)ccc1Br ZINC000091470357 180164985 /nfs/dbraw/zinc/16/49/85/180164985.db2.gz UNKKXULTLAUDGJ-CYBMUJFWSA-N 0 3 299.212 2.090 10 0 CEAEHN CCN1C(=O)C[C@H](N)[C@@H]1c1ccc(Br)c(C)c1 ZINC000091476286 180166298 /nfs/dbraw/zinc/16/62/98/180166298.db2.gz VUSWGADBXIFGPG-AAEUAGOBSA-N 0 3 297.196 2.378 10 0 CEAEHN Cc1ccc(C(F)(F)F)cc1-n1cc(CN)nn1 ZINC000091480898 180166551 /nfs/dbraw/zinc/16/65/51/180166551.db2.gz MHLJIRHNHOULCE-UHFFFAOYSA-N 0 3 256.231 2.053 10 0 CEAEHN Cc1cccc(C(=O)CN2CCC[C@H](N(C)C)C2)c1 ZINC000091391586 180144947 /nfs/dbraw/zinc/14/49/47/180144947.db2.gz IFGRSLIGLRXZNR-HNNXBMFYSA-N 0 3 260.381 2.204 10 0 CEAEHN CCNCc1cncc(N(C)[C@@H](C)C(C)(C)C)n1 ZINC000091419829 180150921 /nfs/dbraw/zinc/15/09/21/180150921.db2.gz FCYIWQGKWBOOHB-NSHDSACASA-N 0 3 250.390 2.457 10 0 CEAEHN CC(C)NCc1cncc(-n2ccc(C(C)C)n2)n1 ZINC000091422516 180151098 /nfs/dbraw/zinc/15/10/98/180151098.db2.gz LXXSJKXMOBIEAV-UHFFFAOYSA-N 0 3 259.357 2.284 10 0 CEAEHN CCCc1nccn1-c1cncc(CNCC(C)C)n1 ZINC000091422545 180151477 /nfs/dbraw/zinc/15/14/77/180151477.db2.gz NDIKONYJEFSNLL-UHFFFAOYSA-N 0 3 273.384 2.360 10 0 CEAEHN CC(C)(C(=O)Cc1cnccc1N)N1CCCCC1 ZINC000091563840 180192839 /nfs/dbraw/zinc/19/28/39/180192839.db2.gz GCOPJGSDQYLYSB-UHFFFAOYSA-N 0 3 261.369 2.040 10 0 CEAEHN CCOc1ccc([C@H](N)C(C)(C)N2CCOCC2)cc1 ZINC000091566155 180194141 /nfs/dbraw/zinc/19/41/41/180194141.db2.gz CSXTVLYOTUNGMR-HNNXBMFYSA-N 0 3 278.396 2.196 10 0 CEAEHN CN[C@H](c1cccc(F)c1F)C(C)(C)N1CCOCC1 ZINC000091566714 180194760 /nfs/dbraw/zinc/19/47/60/180194760.db2.gz PTSIJJWUUFEURF-CQSZACIVSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCN[C@H](c1cncc(F)c1)C(C)(C)N1CCOCC1 ZINC000091567195 180194845 /nfs/dbraw/zinc/19/48/45/180194845.db2.gz VXOANBOYFYBGFA-OAHLLOKOSA-N 0 3 295.402 2.372 10 0 CEAEHN CCCc1nn(C)c(N2CCN(C3CCCC3)CC2)c1N ZINC000091579153 180198467 /nfs/dbraw/zinc/19/84/67/180198467.db2.gz USWYOTKNGAXICM-UHFFFAOYSA-N 0 3 291.443 2.019 10 0 CEAEHN CC[C@@](C)([C@@H](NC)c1cnccn1)N1CCCCC1 ZINC000091609667 180205941 /nfs/dbraw/zinc/20/59/41/180205941.db2.gz VHYSBZPQZHTMLT-GJZGRUSLSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cccc(F)c1)N1CCOCC1 ZINC000091611907 180206696 /nfs/dbraw/zinc/20/66/96/180206696.db2.gz XRQRLPINLNCCPW-GJZGRUSLSA-N 0 3 266.360 2.326 10 0 CEAEHN CCN[C@H](c1nccn1CC)[C@](C)(CC)N1CCOCC1 ZINC000091612977 180207002 /nfs/dbraw/zinc/20/70/02/180207002.db2.gz CADGIYSTFQBFMH-ZBFHGGJFSA-N 0 3 294.443 2.055 10 0 CEAEHN CCN[C@H](c1cncc(F)c1)[C@@](C)(CC)N1CCOCC1 ZINC000091612994 180207037 /nfs/dbraw/zinc/20/70/37/180207037.db2.gz TYSWFQVWXKCIHR-HZPDHXFCSA-N 0 3 295.402 2.372 10 0 CEAEHN CCCn1cc([C@H](NC)[C@@](C)(CC)N2CCOCC2)cn1 ZINC000091612653 180207459 /nfs/dbraw/zinc/20/74/59/180207459.db2.gz NMAPJODUBDSNPG-JKSUJKDBSA-N 0 3 294.443 2.055 10 0 CEAEHN Cc1cc(F)cc(N2CC[C@@H](NC(C)C)C2=O)c1 ZINC000091527226 180179461 /nfs/dbraw/zinc/17/94/61/180179461.db2.gz KVQYIHPNPZEEFF-CYBMUJFWSA-N 0 3 250.317 2.237 10 0 CEAEHN CCCN1C(=O)C[C@@H](N[C@H](C)CCCC(C)C)C1=O ZINC000105028382 186038123 /nfs/dbraw/zinc/03/81/23/186038123.db2.gz CASPHEPUETZHER-CHWSQXEVSA-N 0 3 268.401 2.328 10 0 CEAEHN CCCN1C(=O)C[C@@H](NC2CCC(CC)CC2)C1=O ZINC000105025765 186038754 /nfs/dbraw/zinc/03/87/54/186038754.db2.gz HZSNQUOUKPAGJU-WXRRBKDZSA-N 0 3 266.385 2.082 10 0 CEAEHN CCN[C@H](c1cc(F)ccc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721545 180239183 /nfs/dbraw/zinc/23/91/83/180239183.db2.gz PWMLFIICSASRAC-UHOFOFEASA-N 0 3 296.361 2.479 10 0 CEAEHN CCOC(=O)CCCN[C@H]1CCCc2cccnc21 ZINC000091661776 180219521 /nfs/dbraw/zinc/21/95/21/180219521.db2.gz AGWLKQGKBLNIKA-ZDUSSCGKSA-N 0 3 262.353 2.392 10 0 CEAEHN Cc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)nc(C(C)C)n1 ZINC000091673026 180224778 /nfs/dbraw/zinc/22/47/78/180224778.db2.gz HHVZFIURDKARIN-ZIAGYGMSSA-N 0 3 290.411 2.184 10 0 CEAEHN CC(C)c1nc2cc(N)ccc2n1C[C@H]1CN(C)CCO1 ZINC000091680007 180225846 /nfs/dbraw/zinc/22/58/46/180225846.db2.gz XHMRCCYTOCTRGL-CYBMUJFWSA-N 0 3 288.395 2.073 10 0 CEAEHN CC[C@H](N[C@H]1CCOC[C@H]1O)c1ccccc1F ZINC000624238817 350241937 /nfs/dbraw/zinc/24/19/37/350241937.db2.gz ZEVXHRXTQGPGML-MELADBBJSA-N 0 3 253.317 2.016 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1)[C@H]1CN(C)CCO1 ZINC000091719257 180234217 /nfs/dbraw/zinc/23/42/17/180234217.db2.gz XTYKEKNSFOURFK-HZPDHXFCSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOc1ccc([C@@H](CN(C)C)NC)cc1OCC ZINC000091719630 180234352 /nfs/dbraw/zinc/23/43/52/180234352.db2.gz TUZWEKZSTXRCPQ-CYBMUJFWSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@H](c1ccccc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721773 180237710 /nfs/dbraw/zinc/23/77/10/180237710.db2.gz YUNNLMCUSURNKY-UHOFOFEASA-N 0 3 278.371 2.340 10 0 CEAEHN CN[C@H](c1ccc(F)c(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721239 180238375 /nfs/dbraw/zinc/23/83/75/180238375.db2.gz JNKHDTOIHLRCCJ-KCPJHIHWSA-N 0 3 282.334 2.089 10 0 CEAEHN CN[C@H](C)c1cccn1CC(=O)Nc1cccc(OC)c1 ZINC000091800875 180259299 /nfs/dbraw/zinc/25/92/99/180259299.db2.gz BFQNTDBNANULMX-GFCCVEGCSA-N 0 3 287.363 2.416 10 0 CEAEHN C[C@@H]1CCCN(C(=O)N(C)c2cccc(CN)c2)C1 ZINC000091972749 180296136 /nfs/dbraw/zinc/29/61/36/180296136.db2.gz IYCUFBQDPJNFTL-GFCCVEGCSA-N 0 3 261.369 2.433 10 0 CEAEHN CCN(Cc1nc(C)ccc1[O-])[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091996220 180301802 /nfs/dbraw/zinc/30/18/02/180301802.db2.gz WZXQEFYWAWIQQC-UKRRQHHQSA-N 0 3 277.412 2.435 10 0 CEAEHN CCCNCc1nc(C)ccc1OC[C@H](O)CC ZINC000091995153 180301920 /nfs/dbraw/zinc/30/19/20/180301920.db2.gz XTPZIHGEPGAXMR-GFCCVEGCSA-N 0 3 252.358 2.039 10 0 CEAEHN CCn1ncnc1COc1ccc(C)nc1CNC(C)C ZINC000091995412 180302278 /nfs/dbraw/zinc/30/22/78/180302278.db2.gz FCMBTVIFAPSNEH-UHFFFAOYSA-N 0 3 289.383 2.078 10 0 CEAEHN CCCCNC(=O)COc1ccc(C)nc1CNCCC ZINC000091995040 180302368 /nfs/dbraw/zinc/30/23/68/180302368.db2.gz KQECBZYLPSZCEW-UHFFFAOYSA-N 0 3 293.411 2.185 10 0 CEAEHN COC(C)(C)[C@H](N)c1ccc2c(c1)OCCCO2 ZINC000092138767 180333845 /nfs/dbraw/zinc/33/38/45/180333845.db2.gz DTZINQCAQNTJOM-CYBMUJFWSA-N 0 3 251.326 2.273 10 0 CEAEHN C[C@@H](O)CCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000092151324 180334727 /nfs/dbraw/zinc/33/47/27/180334727.db2.gz GIOOYEHQHRXWPD-ZBFHGGJFSA-N 0 3 290.407 2.101 10 0 CEAEHN Cc1cc(N)ccc1NC(=O)CN1C[C@H](C)[C@H](C)C1 ZINC000092080675 180318467 /nfs/dbraw/zinc/31/84/67/180318467.db2.gz ZNRAWKCGIUCDKB-TXEJJXNPSA-N 0 3 261.369 2.104 10 0 CEAEHN C[C@@H]1CN(c2cncc(CNC(C)(C)C)n2)C[C@H]1C ZINC000092088909 180321728 /nfs/dbraw/zinc/32/17/28/180321728.db2.gz TVDUGOCKQRQBGB-VXGBXAGGSA-N 0 3 262.401 2.457 10 0 CEAEHN CN[C@@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)c(C)c1 ZINC000092094258 180323131 /nfs/dbraw/zinc/32/31/31/180323131.db2.gz CLDOUHWVWXSBEG-GUTXKFCHSA-N 0 3 288.391 2.205 10 0 CEAEHN c1cc(CNC2CC2)n(C[C@H]2COc3ccccc32)n1 ZINC000092306719 180360433 /nfs/dbraw/zinc/36/04/33/180360433.db2.gz LRSBXSHFPQIOJG-LBPRGKRZSA-N 0 3 269.348 2.311 10 0 CEAEHN COc1ncccc1CNC[C@H]1COc2ccccc21 ZINC000092299697 180358884 /nfs/dbraw/zinc/35/88/84/180358884.db2.gz ZLEDQJVJYYKPOL-ZDUSSCGKSA-N 0 3 270.332 2.356 10 0 CEAEHN CC[C@@H]1CN(CCc2ccccc2)CCN1C[C@@H](C)O ZINC000105826224 186074060 /nfs/dbraw/zinc/07/40/60/186074060.db2.gz LNGOGEFOYITVEX-NVXWUHKLSA-N 0 3 276.424 2.006 10 0 CEAEHN CC[C@@H]1CN(CCCc2ccccc2)CCN1C[C@@H](C)O ZINC000105826645 186074917 /nfs/dbraw/zinc/07/49/17/186074917.db2.gz ZBRABSTWEOQQHE-SJLPKXTDSA-N 0 3 290.451 2.396 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2cccc(Cl)c2)CCO1 ZINC000105926778 186092821 /nfs/dbraw/zinc/09/28/21/186092821.db2.gz GGDADTTYXLZOJC-CQSZACIVSA-N 0 3 268.788 2.102 10 0 CEAEHN O=C1C[C@H](NC[C@@H]2CC=CCC2)C(=O)N1C1CCCCC1 ZINC000106257923 186106099 /nfs/dbraw/zinc/10/60/99/186106099.db2.gz PUJURGZFEXZSJM-HIFRSBDPSA-N 0 3 290.407 2.393 10 0 CEAEHN CCNc1cccc(CN(C)[C@@H]2CCCN(C)C2)n1 ZINC000092370220 180369824 /nfs/dbraw/zinc/36/98/24/180369824.db2.gz GMFYSLRZDZWORL-CQSZACIVSA-N 0 3 262.401 2.039 10 0 CEAEHN COc1ccc2c(c1)[C@](N)(c1cncnc1)CCC2 ZINC000092367246 180370015 /nfs/dbraw/zinc/37/00/15/180370015.db2.gz AKUUZLSIRCYQKE-OAHLLOKOSA-N 0 3 255.321 2.024 10 0 CEAEHN CCNc1ccnc(CN(CC)[C@H](C)COC)c1 ZINC000092418346 180380975 /nfs/dbraw/zinc/38/09/75/180380975.db2.gz JHDCUAPDXKRBOY-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN NNc1ccnc(CN2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000092421067 180382301 /nfs/dbraw/zinc/38/23/01/180382301.db2.gz WKPNEEXWGUTFHE-CHWSQXEVSA-N 0 3 260.385 2.379 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)OCC(F)(F)F ZINC000108916565 186235189 /nfs/dbraw/zinc/23/51/89/186235189.db2.gz XXEJOYZDAKLFNW-SECBINFHSA-N 0 3 270.295 2.251 10 0 CEAEHN NN=c1nc(N2CCCCCC2)[nH]c2c1CCCCC2 ZINC000109522220 186259001 /nfs/dbraw/zinc/25/90/01/186259001.db2.gz KRPOURJYAXGUBV-UHFFFAOYSA-N 0 3 275.400 2.412 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC(F)(F)C[C@@H]1C ZINC000625980898 350619353 /nfs/dbraw/zinc/61/93/53/350619353.db2.gz WSYKOAUQLIRKTQ-RYUDHWBXSA-N 0 3 265.344 2.284 10 0 CEAEHN CN(c1cc(CO)nc2ccccc21)[C@@H]1CCCN(C)C1 ZINC000109594728 186265205 /nfs/dbraw/zinc/26/52/05/186265205.db2.gz WQCCMSRLPNUQBC-CQSZACIVSA-N 0 3 285.391 2.258 10 0 CEAEHN CCOCCOc1cc(CNC)nc2ccccc21 ZINC000109590101 186265343 /nfs/dbraw/zinc/26/53/43/186265343.db2.gz QVBLRJBDZVFNLQ-UHFFFAOYSA-N 0 3 260.337 2.370 10 0 CEAEHN NC(=S)c1ccc(N2CC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000110278488 186289581 /nfs/dbraw/zinc/28/95/81/186289581.db2.gz VYCISQABMQLJGH-GFCCVEGCSA-N 0 3 293.411 2.134 10 0 CEAEHN Nc1cccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000110380179 186294696 /nfs/dbraw/zinc/29/46/96/186294696.db2.gz RBJKDNBEBSTSDV-OAHLLOKOSA-N 0 3 288.395 2.361 10 0 CEAEHN CN[C@H](CO[C@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526802 186301140 /nfs/dbraw/zinc/30/11/40/186301140.db2.gz CPDXDYWESLFXQW-GXTWGEPZSA-N 0 3 265.353 2.070 10 0 CEAEHN COC(=O)[C@@](N)(CN(C)CC1CCCC1)c1ccccc1 ZINC000110840547 186328690 /nfs/dbraw/zinc/32/86/90/186328690.db2.gz DMYAZLDSNOWLFV-QGZVFWFLSA-N 0 3 290.407 2.136 10 0 CEAEHN Cc1ccc([C@H](CN)N2CCOCC2(C)C)cc1F ZINC000110977366 186339254 /nfs/dbraw/zinc/33/92/54/186339254.db2.gz XGEAAKMORMGICO-AWEZNQCLSA-N 0 3 266.360 2.245 10 0 CEAEHN CCOc1ccccc1[C@@H](N)CN1CCN(C)[C@@H](CC)C1 ZINC000110715378 186315371 /nfs/dbraw/zinc/31/53/71/186315371.db2.gz CXHDHCOFYWTITF-HOCLYGCPSA-N 0 3 291.439 2.111 10 0 CEAEHN CC[C@H]1CN(CCNc2ccc(C)cc2)CCN1C ZINC000110757618 186319925 /nfs/dbraw/zinc/31/99/25/186319925.db2.gz YVSIRUVBYFSGLT-INIZCTEOSA-N 0 3 261.413 2.433 10 0 CEAEHN C[C@H]1CN(Cc2csc(CNC(C)(C)C)n2)CCN1C ZINC000110751727 186320490 /nfs/dbraw/zinc/32/04/90/186320490.db2.gz WURSLYQLYDRLET-LBPRGKRZSA-N 0 3 296.484 2.167 10 0 CEAEHN CCOC(CN(CCOC)[C@@H](C)C1CC1)OCC ZINC000110783522 186324224 /nfs/dbraw/zinc/32/42/24/186324224.db2.gz KMALFYORZUEDLQ-LBPRGKRZSA-N 0 3 259.390 2.132 10 0 CEAEHN CCOc1cc(N[C@H]2CCN(C3CC3)C2)ccc1N ZINC000111054297 186348460 /nfs/dbraw/zinc/34/84/60/186348460.db2.gz LKMDRBFFBILCRW-LBPRGKRZSA-N 0 3 261.369 2.316 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc(F)c2F)CC(C)(C)O1 ZINC000111039839 186346640 /nfs/dbraw/zinc/34/66/40/186346640.db2.gz BEXXENUSUXDKQH-MFKMUULPSA-N 0 3 284.350 2.464 10 0 CEAEHN CN(C)CCN(C)CCNc1ccccc1Cl ZINC000111150608 186360644 /nfs/dbraw/zinc/36/06/44/186360644.db2.gz UPKISNJHUBNOFM-UHFFFAOYSA-N 0 3 255.793 2.245 10 0 CEAEHN CCOCCN(CC)c1nc(C)c([C@H](C)N)s1 ZINC000111124483 186355195 /nfs/dbraw/zinc/35/51/95/186355195.db2.gz GBXOESXXDUUYJQ-VIFPVBQESA-N 0 3 257.403 2.334 10 0 CEAEHN CCNCc1ccoc1CN(CC)CCOCC ZINC000111123785 186355278 /nfs/dbraw/zinc/35/52/78/186355278.db2.gz YONUJHDWRXJDJI-UHFFFAOYSA-N 0 3 254.374 2.248 10 0 CEAEHN CCC[C@H]1CCC(=O)[C@H](CN(C)CCN(C)C)C1 ZINC000111146383 186358895 /nfs/dbraw/zinc/35/88/95/186358895.db2.gz SSXNXIUQULEBSG-KBPBESRZSA-N 0 3 254.418 2.265 10 0 CEAEHN C(NC1=NC2(CCCC2)CS1)C1CCOCC1 ZINC000111167888 186363874 /nfs/dbraw/zinc/36/38/74/186363874.db2.gz RPOGVRLSTPTHOX-UHFFFAOYSA-N 0 3 254.399 2.418 10 0 CEAEHN CN[C@@H](CN(C)CC1CCOCC1)c1ccccc1OC ZINC000111161512 186363899 /nfs/dbraw/zinc/36/38/99/186363899.db2.gz CKDRRLRQGOLIEU-INIZCTEOSA-N 0 3 292.423 2.314 10 0 CEAEHN Nc1nc2ccc(F)c(F)c2n1CC1CCOCC1 ZINC000111167635 186364322 /nfs/dbraw/zinc/36/43/22/186364322.db2.gz SGGQGDXZJUUVQH-UHFFFAOYSA-N 0 3 267.279 2.323 10 0 CEAEHN CN(C[C@H]1CCCOC1)c1ncc(CN)cc1Cl ZINC000111173930 186364659 /nfs/dbraw/zinc/36/46/59/186364659.db2.gz OVYSRSVVRAPJRF-SNVBAGLBSA-N 0 3 269.776 2.057 10 0 CEAEHN Cc1cccc(N(C)C(=O)c2ccc(CN)cn2)c1 ZINC000111282220 186388589 /nfs/dbraw/zinc/38/85/89/186388589.db2.gz YUJOTHXHLLZUQH-UHFFFAOYSA-N 0 3 255.321 2.125 10 0 CEAEHN NCc1ccc(C(=O)Nc2cccc3cnccc32)nc1 ZINC000111281627 186388892 /nfs/dbraw/zinc/38/88/92/186388892.db2.gz KEPDEZARWGNRCY-UHFFFAOYSA-N 0 3 278.315 2.341 10 0 CEAEHN C[C@@H](NCC(=O)N1CCNC1=O)c1ccc2ccccc2c1 ZINC000120452191 186901009 /nfs/dbraw/zinc/90/10/09/186901009.db2.gz SOGLARSQTLIUDR-GFCCVEGCSA-N 0 3 297.358 2.042 10 0 CEAEHN CCc1cc(N2CCNCC2)nc(-c2ccc(F)cc2)n1 ZINC000070451668 363083483 /nfs/dbraw/zinc/08/34/83/363083483.db2.gz QXXFHQMLMKMDBC-UHFFFAOYSA-N 0 3 286.354 2.255 10 0 CEAEHN Cc1cnn(CCN[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000124112132 187122653 /nfs/dbraw/zinc/12/26/53/187122653.db2.gz MFVCTKUPRIDXRN-CYBMUJFWSA-N 0 3 287.363 2.314 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(CCc2ccccc2)CC1 ZINC000123256132 187081095 /nfs/dbraw/zinc/08/10/95/187081095.db2.gz MMGAKMCDXAPOKU-QGZVFWFLSA-N 0 3 276.424 2.008 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2ccc(F)cc2C)CC1 ZINC000123557661 187098381 /nfs/dbraw/zinc/09/83/81/187098381.db2.gz RCXGDEBHMPXWLB-INIZCTEOSA-N 0 3 280.387 2.023 10 0 CEAEHN O=C(CCCN1CC[C@H](CCO)C1)c1ccccc1 ZINC000123690242 187104752 /nfs/dbraw/zinc/10/47/52/187104752.db2.gz LDAQZPJFYQCCDA-CQSZACIVSA-N 0 3 261.365 2.354 10 0 CEAEHN OC[C@H]1CN(C[C@@H]2Cc3ccccc32)CCC1(F)F ZINC000291953071 198115765 /nfs/dbraw/zinc/11/57/65/198115765.db2.gz UPWXNEFKGBIKBN-QWHCGFSZSA-N 0 3 267.319 2.276 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@H]1CCCO1 ZINC000252692650 539893259 /nfs/dbraw/zinc/89/32/59/539893259.db2.gz AQHGKJFKKKSHGE-QLFBSQMISA-N 0 3 252.402 2.114 10 0 CEAEHN C(c1nc2c(s1)CCC2)N1CCN2CCCC[C@H]2C1 ZINC000678820783 539919917 /nfs/dbraw/zinc/91/99/17/539919917.db2.gz SGCBNYZMYUYUAV-LBPRGKRZSA-N 0 3 277.437 2.302 10 0 CEAEHN CCc1ccc(CCNC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000153477180 188084323 /nfs/dbraw/zinc/08/43/23/188084323.db2.gz JBTVOLMYQKSXIZ-INIZCTEOSA-N 0 3 289.423 2.137 10 0 CEAEHN CCC[C@@H](C(=O)NCc1c(CC)noc1CC)N(C)C ZINC000153470631 188084674 /nfs/dbraw/zinc/08/46/74/188084674.db2.gz CWQRHTDYYOORIA-ZDUSSCGKSA-N 0 3 281.400 2.146 10 0 CEAEHN CC[C@@H]1CN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCS1 ZINC000132132680 366121438 /nfs/dbraw/zinc/12/14/38/366121438.db2.gz JMQKOCHOFGOOTO-MJBXVCDLSA-N 0 3 299.484 2.252 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](c2ccccc2)C2CC2)C1 ZINC000228187191 538806345 /nfs/dbraw/zinc/80/63/45/538806345.db2.gz PRWLRVGXLILSTF-IAGOWNOFSA-N 0 3 274.408 2.448 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](C)C1 ZINC000155452017 540296943 /nfs/dbraw/zinc/29/69/43/540296943.db2.gz UDQNDGYDISEXSJ-AAEUAGOBSA-N 0 3 292.427 2.166 10 0 CEAEHN COc1cccc(CNC[C@H]2CCCC[C@H]2O)c1F ZINC000165864026 540326435 /nfs/dbraw/zinc/32/64/35/540326435.db2.gz JPVHZLACWRXSRM-DGCLKSJQSA-N 0 3 267.344 2.475 10 0 CEAEHN CCO[C@H]1C[C@H](N(C)CC(OC)OC)C12CCCC2 ZINC000136795815 366527045 /nfs/dbraw/zinc/52/70/45/366527045.db2.gz XGSMWAMLSAGCIQ-STQMWFEESA-N 0 3 271.401 2.275 10 0 CEAEHN CCN1CCC[C@@H](Nc2nc(C(=O)OC)c(C)s2)C1 ZINC000137241708 366539058 /nfs/dbraw/zinc/53/90/58/366539058.db2.gz VHPZVPAZZCPUOB-SNVBAGLBSA-N 0 3 283.397 2.134 10 0 CEAEHN O[C@@]12CCCC[C@@H]1CN(Cc1cnc3ccccn13)CC2 ZINC000140431936 366560368 /nfs/dbraw/zinc/56/03/68/366560368.db2.gz RKACTEMXZVYXCD-RHSMWYFYSA-N 0 3 285.391 2.461 10 0 CEAEHN NC[C@@]1(C(F)(F)F)CSC(c2ccccc2)=N1 ZINC000095936555 283490326 /nfs/dbraw/zinc/49/03/26/283490326.db2.gz NMOCQLXZOMIOFT-JTQLQIEISA-N 0 3 260.284 2.440 10 0 CEAEHN CCn1ccnc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000339051148 366631542 /nfs/dbraw/zinc/63/15/42/366631542.db2.gz FPCGQFKXJLWORG-NWANDNLSSA-N 0 3 275.396 2.340 10 0 CEAEHN CCc1ccc([C@@H](C)NC[C@@H](O)CN2CCCCC2)o1 ZINC000151349990 366641557 /nfs/dbraw/zinc/64/15/57/366641557.db2.gz DLFIOUXKJAOLPH-ZIAGYGMSSA-N 0 3 280.412 2.339 10 0 CEAEHN NCc1c(Br)ccnc1Br ZINC000299890081 283525700 /nfs/dbraw/zinc/52/57/00/283525700.db2.gz TYKONWYHUUJYSY-UHFFFAOYSA-N 0 3 265.936 2.065 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(COC)cc1 ZINC000176963880 189017522 /nfs/dbraw/zinc/01/75/22/189017522.db2.gz RCZDPVYWYXMQLD-MRXNPFEDSA-N 0 3 290.407 2.389 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCc1ccco1 ZINC000176963271 189017637 /nfs/dbraw/zinc/01/76/37/189017637.db2.gz JIUIRLFTQWEXFQ-CYBMUJFWSA-N 0 3 264.369 2.155 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCc1ccccc1 ZINC000177025777 189021966 /nfs/dbraw/zinc/02/19/66/189021966.db2.gz OBERHULLKUOLQU-INIZCTEOSA-N 0 3 289.423 2.355 10 0 CEAEHN Cc1ccc([C@@H](C)N[C@H](C)CS(C)(=O)=O)c(C)c1 ZINC000081900568 363745420 /nfs/dbraw/zinc/74/54/20/363745420.db2.gz MCJGAXWODABZJU-CHWSQXEVSA-N 0 3 269.410 2.387 10 0 CEAEHN CC[C@@H](C(=O)N[C@@H](C)COCc1ccccc1)N(C)C ZINC000178567835 189127568 /nfs/dbraw/zinc/12/75/68/189127568.db2.gz ZYJIDDRFSDWUGL-ZFWWWQNUSA-N 0 3 278.396 2.048 10 0 CEAEHN CC(C)COc1ccc([C@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000179069926 189166399 /nfs/dbraw/zinc/16/63/99/189166399.db2.gz QCKKYQYLBTXPJX-SWLSCSKDSA-N 0 3 276.380 2.261 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc([C@H](C)O)cc1)N(C)C ZINC000179599516 189206152 /nfs/dbraw/zinc/20/61/52/189206152.db2.gz XELFMROXEKKKOX-WFASDCNBSA-N 0 3 278.396 2.086 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccc([C@@H](C)O)cc1)N(C)C ZINC000179599493 189206214 /nfs/dbraw/zinc/20/62/14/189206214.db2.gz XELFMROXEKKKOX-DOMZBBRYSA-N 0 3 278.396 2.086 10 0 CEAEHN Cc1ccc(F)cc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000180248578 189246086 /nfs/dbraw/zinc/24/60/86/189246086.db2.gz XCVKKDCQTZRHMZ-RHSMWYFYSA-N 0 3 292.398 2.287 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc2c(c1)CCC2 ZINC000180582445 189263758 /nfs/dbraw/zinc/26/37/58/189263758.db2.gz WYVMSELXHBIVOB-BLLLJJGKSA-N 0 3 282.391 2.432 10 0 CEAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc2ccccc2n1 ZINC000180589323 189264318 /nfs/dbraw/zinc/26/43/18/189264318.db2.gz GVMUKPJZEMVATC-OCCSQVGLSA-N 0 3 293.374 2.492 10 0 CEAEHN CO[C@H](C)CCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000180852917 189280056 /nfs/dbraw/zinc/28/00/56/189280056.db2.gz UFEJZJZPYVRDFM-HIFRSBDPSA-N 0 3 278.396 2.221 10 0 CEAEHN O[C@H](COCc1ccccc1)CN1CC[C@H](C(F)F)C1 ZINC000677730371 541039728 /nfs/dbraw/zinc/03/97/28/541039728.db2.gz IBKLUGXXVJSHSW-KBPBESRZSA-N 0 3 285.334 2.151 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCc1ccccn1 ZINC000083704406 363785185 /nfs/dbraw/zinc/78/51/85/363785185.db2.gz ZDWLBADWTGBTMP-GOEBONIOSA-N 0 3 259.397 2.183 10 0 CEAEHN NCc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012370573 361380809 /nfs/dbraw/zinc/38/08/09/361380809.db2.gz IENPBNBXMPGBEX-UHFFFAOYSA-N 0 3 260.259 2.001 10 0 CEAEHN Oc1cccc(CN2CCOCC3(CCOCC3)C2)c1 ZINC000183273283 189352448 /nfs/dbraw/zinc/35/24/48/189352448.db2.gz LBXUIABSWBTJOB-UHFFFAOYSA-N 0 3 277.364 2.021 10 0 CEAEHN Cc1ccc2nccc(NC[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000302177888 201383174 /nfs/dbraw/zinc/38/31/74/201383174.db2.gz XVSCSGJVRFXHOA-GFCCVEGCSA-N 0 3 290.388 2.390 10 0 CEAEHN COCCN(CCC1C[C@H](C)C[C@@H](C)C1)[C@@H](C)C(N)=O ZINC000089125930 363933105 /nfs/dbraw/zinc/93/31/05/363933105.db2.gz DLBNRGXZMBQQMJ-MCIONIFRSA-N 0 3 284.444 2.271 10 0 CEAEHN CCc1nn(C)c(Cl)c1CN1CCN2CCCC[C@@H]2C1 ZINC000092615981 364088097 /nfs/dbraw/zinc/08/80/97/364088097.db2.gz CIHRWQIPZGHNPF-GFCCVEGCSA-N 0 3 296.846 2.306 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccccc1F ZINC000092627411 364089943 /nfs/dbraw/zinc/08/99/43/364089943.db2.gz KJAUPBUYWJOAIQ-LBPRGKRZSA-N 0 3 264.344 2.382 10 0 CEAEHN Cc1c(CNCCOc2cccc(C)c2)cnn1C ZINC000093650185 364209735 /nfs/dbraw/zinc/20/97/35/364209735.db2.gz NTDCAHPIMMZRHV-UHFFFAOYSA-N 0 3 259.353 2.206 10 0 CEAEHN Cc1c(CNCCc2cc(F)cc(F)c2)cnn1C ZINC000093650249 364211585 /nfs/dbraw/zinc/21/15/85/364211585.db2.gz QDRWZUQYQBCHOP-UHFFFAOYSA-N 0 3 265.307 2.339 10 0 CEAEHN C[C@@]1(C(=O)NC[C@@H]2CCCC23CC3)CCCCN1 ZINC000638794402 370756093 /nfs/dbraw/zinc/75/60/93/370756093.db2.gz CGODOAKHULHJJC-JSGCOSHPSA-N 0 3 250.386 2.215 10 0 CEAEHN C[C@]1(C(=O)NC[C@@H]2CCCC23CC3)CCCCN1 ZINC000638794401 370756506 /nfs/dbraw/zinc/75/65/06/370756506.db2.gz CGODOAKHULHJJC-GXTWGEPZSA-N 0 3 250.386 2.215 10 0 CEAEHN O=[S@@](C[C@H]1CCCCN1)c1nc2ccccc2o1 ZINC000095073502 364332535 /nfs/dbraw/zinc/33/25/35/364332535.db2.gz MNYXXQCZSJXPCO-MLCYQJTMSA-N 0 3 264.350 2.078 10 0 CEAEHN CCc1cnc(N)nc1NCc1ccccc1CN(C)C ZINC000095353400 364343974 /nfs/dbraw/zinc/34/39/74/364343974.db2.gz NIUQNSDOKBBSFP-UHFFFAOYSA-N 0 3 285.395 2.295 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)[C@@H](N)C1 ZINC000096032665 364398245 /nfs/dbraw/zinc/39/82/45/364398245.db2.gz AGHANFLAWQUQJX-OLZOCXBDSA-N 0 3 277.368 2.133 10 0 CEAEHN Cc1cc(Cl)cc(CN[C@@H]2CCCNC2=O)c1 ZINC000335414279 364705224 /nfs/dbraw/zinc/70/52/24/364705224.db2.gz DJVSJTLYSBOHCE-GFCCVEGCSA-N 0 3 252.745 2.017 10 0 CEAEHN CCCC[C@H](CC)CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117023269 365089454 /nfs/dbraw/zinc/08/94/54/365089454.db2.gz KYLKYCCORVSHRM-LSDHHAIUSA-N 0 3 299.459 2.175 10 0 CEAEHN C[C@@]1(C(=O)N2CCO[C@@H](c3ccccc3)C2)CCCCN1 ZINC000119071018 365211393 /nfs/dbraw/zinc/21/13/93/365211393.db2.gz LHPMWHMORAXNNU-WBVHZDCISA-N 0 3 288.391 2.119 10 0 CEAEHN CN(C)C[C@@H](NC(=O)C1CC=CC1)c1ccccc1 ZINC000119467804 365278037 /nfs/dbraw/zinc/27/80/37/365278037.db2.gz XTEWMWKHOPNUHY-OAHLLOKOSA-N 0 3 258.365 2.372 10 0 CEAEHN C[C@H]1CC[C@@H](C(=O)N(CCN(C)C)Cc2cccs2)O1 ZINC000120388058 365416721 /nfs/dbraw/zinc/41/67/21/365416721.db2.gz HSGHEKCPMIYHTA-JSGCOSHPSA-N 0 3 296.436 2.206 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000120089184 365371074 /nfs/dbraw/zinc/37/10/74/365371074.db2.gz PCIXBZLLCVJUOF-AVGNSLFASA-N 0 3 255.406 2.013 10 0 CEAEHN CC[C@H](C)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000120590490 365446244 /nfs/dbraw/zinc/44/62/44/365446244.db2.gz MCXFUJQRAKVOJV-WFASDCNBSA-N 0 3 265.401 2.247 10 0 CEAEHN CCSc1cccc(NC(=O)[C@H]2C[C@@H](OC)CN2)c1 ZINC000572351573 299360368 /nfs/dbraw/zinc/36/03/68/299360368.db2.gz RFIIXXJHUMKVIZ-DGCLKSJQSA-N 0 3 280.393 2.114 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000245422771 370816903 /nfs/dbraw/zinc/81/69/03/370816903.db2.gz AIHAAMWFEHAXTB-RRFJBIMHSA-N 0 3 282.428 2.277 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)cs1 ZINC000245435114 370819570 /nfs/dbraw/zinc/81/95/70/370819570.db2.gz SHUZZOWDLABLDE-RYUDHWBXSA-N 0 3 294.420 2.456 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](C)Oc1ccc(F)cc1)N(C)C ZINC000162328329 367151121 /nfs/dbraw/zinc/15/11/21/367151121.db2.gz CKEDQGIKFNXEMF-SWLSCSKDSA-N 0 3 296.386 2.440 10 0 CEAEHN CCc1noc([C@H](C)N(C)C[C@H]2CCCN2CC)n1 ZINC000245479700 370826940 /nfs/dbraw/zinc/82/69/40/370826940.db2.gz WOEKWPSFNSQNGS-NWDGAFQWSA-N 0 3 266.389 2.109 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@H](C)N(C)C[C@H]1CCCN1CC ZINC000245474644 370826959 /nfs/dbraw/zinc/82/69/59/370826959.db2.gz RDFXNFACPHIVDR-SOUVJXGZSA-N 0 3 283.460 2.096 10 0 CEAEHN Cc1nc([C@@H]2CN(C[C@@H]3CCC[C@@H](C)C3)CCO2)n[nH]1 ZINC000245535175 370833408 /nfs/dbraw/zinc/83/34/08/370833408.db2.gz KITRSJNMRBBKOR-BNOWGMLFSA-N 0 3 278.400 2.313 10 0 CEAEHN CN(C1CCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245600137 370846928 /nfs/dbraw/zinc/84/69/28/370846928.db2.gz IRABUODVDIHLKK-CHWSQXEVSA-N 0 3 259.415 2.217 10 0 CEAEHN Cc1ccc(C)c(CC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000170828864 367427180 /nfs/dbraw/zinc/42/71/80/367427180.db2.gz XJVWJYUKFSDBEZ-INIZCTEOSA-N 0 3 272.392 2.153 10 0 CEAEHN COc1cc(F)ccc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000171075666 367471679 /nfs/dbraw/zinc/47/16/79/367471679.db2.gz VCKCPCITPHSTKY-NSHDSACASA-N 0 3 281.331 2.002 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000170859411 367431802 /nfs/dbraw/zinc/43/18/02/367431802.db2.gz YBWXEUWKLNZRTB-MRXNPFEDSA-N 0 3 272.392 2.342 10 0 CEAEHN Cc1nc2ccccc2cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170857171 367432131 /nfs/dbraw/zinc/43/21/31/367432131.db2.gz KBKSENVORZSQQG-CQSZACIVSA-N 0 3 283.375 2.319 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc3ncsc3c2)C1 ZINC000170862390 367433969 /nfs/dbraw/zinc/43/39/69/367433969.db2.gz VGWKCDBTPLSFPW-LLVKDONJSA-N 0 3 275.377 2.072 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc3ncsc3c2)C1 ZINC000170862393 367434993 /nfs/dbraw/zinc/43/49/93/367434993.db2.gz VGWKCDBTPLSFPW-NSHDSACASA-N 0 3 275.377 2.072 10 0 CEAEHN C[C@@H](SCc1ccccc1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170865537 367436777 /nfs/dbraw/zinc/43/67/77/367436777.db2.gz AJCUFXMBARTXED-UKRRQHHQSA-N 0 3 292.448 2.471 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cccc3[nH]ccc32)C1 ZINC000171391733 367533887 /nfs/dbraw/zinc/53/38/87/367533887.db2.gz LVZOVODJDVAYOM-NSHDSACASA-N 0 3 272.352 2.336 10 0 CEAEHN C[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)c1cccs1 ZINC000171747089 367608064 /nfs/dbraw/zinc/60/80/64/367608064.db2.gz HXXKVKRIXJVXFV-VXGBXAGGSA-N 0 3 281.425 2.450 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(CCc2cccnc2)C1 ZINC000172159279 367686411 /nfs/dbraw/zinc/68/64/11/367686411.db2.gz ZUTGCFCOSBVBJN-OAHLLOKOSA-N 0 3 285.395 2.115 10 0 CEAEHN Cc1cccc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000173882553 367954592 /nfs/dbraw/zinc/95/45/92/367954592.db2.gz HQPRMTHEZNQLRX-ZFWWWQNUSA-N 0 3 296.436 2.002 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000174073478 367978882 /nfs/dbraw/zinc/97/88/82/367978882.db2.gz QGWFZGPEFFVNQW-QGZVFWFLSA-N 0 3 276.424 2.192 10 0 CEAEHN CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000176455299 368240958 /nfs/dbraw/zinc/24/09/58/368240958.db2.gz RIFPTHMBGZGDEM-GJZGRUSLSA-N 0 3 290.407 2.315 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@@H]1CN(C)CCO1)[C@H](C)C2 ZINC000180844549 368399262 /nfs/dbraw/zinc/39/92/62/368399262.db2.gz WYHMSVCLLZTOSQ-FRFSOERESA-N 0 3 274.408 2.149 10 0 CEAEHN CC[C@@H](O)CN1CCN(CCCc2ccc(C)cc2)CC1 ZINC000181922641 368507039 /nfs/dbraw/zinc/50/70/39/368507039.db2.gz DNQHQMQKWQOTDZ-GOSISDBHSA-N 0 3 290.451 2.316 10 0 CEAEHN CC(C)n1nnnc1CN[C@@H](C)C1CCCCC1 ZINC000182933430 368599466 /nfs/dbraw/zinc/59/94/66/368599466.db2.gz NBPAUQPMLTXECH-NSHDSACASA-N 0 3 251.378 2.312 10 0 CEAEHN O=S1(=O)CCC[C@H](N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000183285539 368620889 /nfs/dbraw/zinc/62/08/89/368620889.db2.gz IWMJGMXGQFLNBO-ZFWWWQNUSA-N 0 3 297.395 2.370 10 0 CEAEHN CC(C)C[C@H](C)CC(=O)N1CCN2CCC[C@H]2C1 ZINC000246214883 370928727 /nfs/dbraw/zinc/92/87/27/370928727.db2.gz PBNWHYIOQPXSEW-KBPBESRZSA-N 0 3 252.402 2.365 10 0 CEAEHN CCOC(CN1CCC[C@@H](Cc2noc(C)n2)C1)OCC ZINC000184964839 368731499 /nfs/dbraw/zinc/73/14/99/368731499.db2.gz IOAIMPJMRCCVJQ-ZDUSSCGKSA-N 0 3 297.399 2.032 10 0 CEAEHN CC[C@@H]1CN([C@H](C)c2ccccn2)CCN1CCOC ZINC000246352383 370949199 /nfs/dbraw/zinc/94/91/99/370949199.db2.gz MGPYADZNBXWQPH-HUUCEWRRSA-N 0 3 277.412 2.185 10 0 CEAEHN c1cnnc(N2CCCN([C@@H]3C=CCCC3)CC2)c1 ZINC000246304075 370943465 /nfs/dbraw/zinc/94/34/65/370943465.db2.gz XBHRXDUALFMLGU-CQSZACIVSA-N 0 3 258.369 2.097 10 0 CEAEHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1ncccn1 ZINC000346699196 368779609 /nfs/dbraw/zinc/77/96/09/368779609.db2.gz CAQUGRVXEUTZFK-YCPHGPKFSA-N 0 3 275.396 2.382 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCC(C)(C)CCOC ZINC000186143246 368924791 /nfs/dbraw/zinc/92/47/91/368924791.db2.gz DWAHQOFHCNKUFP-AWEZNQCLSA-N 0 3 299.459 2.175 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccc(Cl)cc2F)C1 ZINC000187865736 369239627 /nfs/dbraw/zinc/23/96/27/369239627.db2.gz AAEBSXCBMNWGGT-LBPRGKRZSA-N 0 3 299.777 2.325 10 0 CEAEHN OC[C@H]1CN(CCOCC2CC2)C[C@@H]1c1ccsc1 ZINC000188058790 369286577 /nfs/dbraw/zinc/28/65/77/369286577.db2.gz PSBTTWVTWPJHOQ-HUUCEWRRSA-N 0 3 281.421 2.182 10 0 CEAEHN CCc1ccccc1CC(=O)N1CCN2CCC[C@H]2C1 ZINC000188288792 369332736 /nfs/dbraw/zinc/33/27/36/369332736.db2.gz KZYKEPLUMCIGAF-INIZCTEOSA-N 0 3 272.392 2.098 10 0 CEAEHN COC(=O)c1ccc(CN2C[C@@H]3CCCN3C[C@H]2C)s1 ZINC000246410752 370957453 /nfs/dbraw/zinc/95/74/53/370957453.db2.gz BCRICAXUAJYTIB-NEPJUHHUSA-N 0 3 294.420 2.203 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)C1 ZINC000246581817 370980862 /nfs/dbraw/zinc/98/08/62/370980862.db2.gz SEIYGTXSCLWZMR-XLNGHYISSA-N 0 3 299.418 2.060 10 0 CEAEHN Cc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc(Cl)n1 ZINC000228427401 370403183 /nfs/dbraw/zinc/40/31/83/370403183.db2.gz DJWANJLGOPHLQH-DGCLKSJQSA-N 0 3 293.798 2.352 10 0 CEAEHN Cc1nn(C)cc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000230944922 370471205 /nfs/dbraw/zinc/47/12/05/370471205.db2.gz HTFPKYXUNRUKQX-HNNXBMFYSA-N 0 3 270.380 2.415 10 0 CEAEHN NCc1cccc2c1N(C(=O)[C@@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC000638542877 370601383 /nfs/dbraw/zinc/60/13/83/370601383.db2.gz MAAYAPJXAOJJCR-QDMKHBRRSA-N 0 3 270.376 2.471 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000236823636 370635402 /nfs/dbraw/zinc/63/54/02/370635402.db2.gz PWGZCANTNZYMSQ-AWEZNQCLSA-N 0 3 287.407 2.377 10 0 CEAEHN COc1cccc([C@@H](C)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000247018675 371047342 /nfs/dbraw/zinc/04/73/42/371047342.db2.gz LZSLZDVPQVKUCT-GDBMZVCRSA-N 0 3 290.407 2.163 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC000247397049 371102655 /nfs/dbraw/zinc/10/26/55/371102655.db2.gz QVLXTKVNGSEBMV-GOEBONIOSA-N 0 3 299.418 2.486 10 0 CEAEHN Cc1cccc(-c2noc(CN3CCN4CCC[C@H]4C3)n2)c1 ZINC000247402694 371103339 /nfs/dbraw/zinc/10/33/39/371103339.db2.gz YRMMDWDBVGNAGU-HNNXBMFYSA-N 0 3 298.390 2.325 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000247519800 371120345 /nfs/dbraw/zinc/12/03/45/371120345.db2.gz ZAFXEFXFXZNZFM-WDEREUQCSA-N 0 3 252.383 2.207 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC000247530905 371121049 /nfs/dbraw/zinc/12/10/49/371121049.db2.gz ZWIMBXSOHOTJHG-CMPLNLGQSA-N 0 3 252.383 2.207 10 0 CEAEHN CCCCc1noc(CN2C[C@@H]3CCCN3C[C@H]2C)n1 ZINC000247539606 371122685 /nfs/dbraw/zinc/12/26/85/371122685.db2.gz YFVWPHRZOZRRFR-OLZOCXBDSA-N 0 3 278.400 2.081 10 0 CEAEHN CCn1cc([C@H](C)N[C@H]2Cc3ccccc3[C@H]2O)cn1 ZINC000248013414 371155451 /nfs/dbraw/zinc/15/54/51/371155451.db2.gz LNFJEJGDYHLMBR-KNXALSJPSA-N 0 3 271.364 2.212 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@H]2C1)c1c(F)cccc1F ZINC000248369915 371182059 /nfs/dbraw/zinc/18/20/59/371182059.db2.gz WVAOLDARVJLQFJ-WFASDCNBSA-N 0 3 296.361 2.168 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@H](C)c2cnccn2)C12CCOCC2 ZINC000248634821 371227648 /nfs/dbraw/zinc/22/76/48/371227648.db2.gz JXQULDOZUFBOQX-VHDGCEQUSA-N 0 3 291.395 2.101 10 0 CEAEHN CCN(C)c1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000248809570 371249017 /nfs/dbraw/zinc/24/90/17/371249017.db2.gz CIEOBVAAZJGVMR-OAHLLOKOSA-N 0 3 299.422 2.261 10 0 CEAEHN Cc1ccc(O[C@@H](C)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000249833849 371366188 /nfs/dbraw/zinc/36/61/88/371366188.db2.gz QFOSQABZDDDXLG-GJZGRUSLSA-N 0 3 288.391 2.069 10 0 CEAEHN C[C@H](CCC(C)(C)C)NC(=O)[C@@H](N)C1CCOCC1 ZINC000261605598 371675211 /nfs/dbraw/zinc/67/52/11/371675211.db2.gz AOLFMINUUJXDAM-YPMHNXCESA-N 0 3 270.417 2.071 10 0 CEAEHN Cc1cc([C@H]2CCCN(Cc3cnc(N)s3)C2)n[nH]1 ZINC000261609355 371677930 /nfs/dbraw/zinc/67/79/30/371677930.db2.gz FIPGLYRNCPVJLH-JTQLQIEISA-N 0 3 277.397 2.136 10 0 CEAEHN Cc1cc([C@H]2CCCN(Cc3cnc(N)s3)C2)[nH]n1 ZINC000261609355 371677937 /nfs/dbraw/zinc/67/79/37/371677937.db2.gz FIPGLYRNCPVJLH-JTQLQIEISA-N 0 3 277.397 2.136 10 0 CEAEHN Cc1sc2nc(C)nc(NC[C@H]3CNCCO3)c2c1C ZINC000261650474 371692137 /nfs/dbraw/zinc/69/21/37/371692137.db2.gz DDVQXNGZNJPZTC-LLVKDONJSA-N 0 3 292.408 2.017 10 0 CEAEHN OC[C@@H]1CN(C[C@H]2Cc3ccccc32)C[C@H]1C(F)(F)F ZINC000640044128 371765751 /nfs/dbraw/zinc/76/57/51/371765751.db2.gz NQXAOYQAJSQFAX-MBNYWOFBSA-N 0 3 285.309 2.429 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000262653178 371891000 /nfs/dbraw/zinc/89/10/00/371891000.db2.gz SJWWZUYYHFQWGL-ZWNOBZJWSA-N 0 3 272.352 2.389 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccccc2Cl)CCCN1 ZINC000643615137 373220442 /nfs/dbraw/zinc/22/04/42/373220442.db2.gz WEFQMGZFYSPQCM-CYBMUJFWSA-N 0 3 268.744 2.047 10 0 CEAEHN C[C@H](NC(=O)[C@@H]1NCC1(C)C)c1ccc(F)c(F)c1 ZINC000644007409 373336584 /nfs/dbraw/zinc/33/65/84/373336584.db2.gz XKRHDGIXKIDGRD-UFBFGSQYSA-N 0 3 268.307 2.140 10 0 CEAEHN CCN1CC[C@@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000389223421 375301986 /nfs/dbraw/zinc/30/19/86/375301986.db2.gz GFMDQRCBOPYSNH-OAHLLOKOSA-N 0 3 270.380 2.056 10 0 CEAEHN C[C@@H](C(=O)N1CCC[C@@H]1CCCO)N1[C@H](C)CC[C@@H]1C ZINC000413648114 375784751 /nfs/dbraw/zinc/78/47/51/375784751.db2.gz LRJPJHHJQVYWFJ-LJISPDSOSA-N 0 3 282.428 2.011 10 0 CEAEHN O[C@]1(C(F)(F)F)CCN(C[C@@H]2Cc3ccccc32)C1 ZINC000287905866 376338844 /nfs/dbraw/zinc/33/88/44/376338844.db2.gz VCVNBQLAZULZBY-WCQYABFASA-N 0 3 271.282 2.325 10 0 CEAEHN CCN1CCC[C@H](NCc2cc(F)ccc2OC)C1 ZINC000311467906 376670411 /nfs/dbraw/zinc/67/04/11/376670411.db2.gz NRVZTZOAQGKCMC-AWEZNQCLSA-N 0 3 266.360 2.408 10 0 CEAEHN CCc1cc(CC)nc(N[C@H]2CCCN(CC)C2)n1 ZINC000311343542 376664848 /nfs/dbraw/zinc/66/48/48/376664848.db2.gz LNOVBSCRBSURIN-AWEZNQCLSA-N 0 3 262.401 2.498 10 0 CEAEHN c1nc2n(n1)CCC[C@@H]2N[C@@H]1CCc2cccnc2CC1 ZINC000333729945 377839918 /nfs/dbraw/zinc/83/99/18/377839918.db2.gz KWIWQTFOXOGHPU-HIFRSBDPSA-N 0 3 283.379 2.045 10 0 CEAEHN C[C@H](NCC(=O)N(C1CC1)C1CCCC1)[C@H]1CCCO1 ZINC000183092186 542286392 /nfs/dbraw/zinc/28/63/92/542286392.db2.gz FPZRDGWCBZHZMZ-SWLSCSKDSA-N 0 3 280.412 2.077 10 0 CEAEHN CCS(=O)(=O)C[C@H](C)N[C@H](C)COCc1ccccc1 ZINC000183045622 542286495 /nfs/dbraw/zinc/28/64/95/542286495.db2.gz FAHUJHWHMCOEDJ-KGLIPLIRSA-N 0 3 299.436 2.005 10 0 CEAEHN C[C@H](NCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCO1 ZINC000183106837 542287805 /nfs/dbraw/zinc/28/78/05/542287805.db2.gz HCUHSGUWBRYXHA-ZANVPECISA-N 0 3 284.306 2.060 10 0 CEAEHN COCCN1CCN(Cc2cccc3cnccc32)C[C@@H]1C ZINC000183277322 542291342 /nfs/dbraw/zinc/29/13/42/542291342.db2.gz NHBSZCLJNKVJPJ-HNNXBMFYSA-N 0 3 299.418 2.387 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2CCC[C@H](O)C2)c1C ZINC000045171285 542340575 /nfs/dbraw/zinc/34/05/75/542340575.db2.gz JMIWELCQXZFJIK-BPNCWPANSA-N 0 3 265.401 2.474 10 0 CEAEHN COC(=O)[C@H](C)[C@H](C)N[C@@H]1CCOc2ccccc21 ZINC000093028992 184643420 /nfs/dbraw/zinc/64/34/20/184643420.db2.gz LNLNMPMCMVUDTE-NTZNESFSSA-N 0 3 263.337 2.297 10 0 CEAEHN OC[C@H]1CN(C[C@H]2CCCC2(F)F)CCC1(F)F ZINC000336266709 285292647 /nfs/dbraw/zinc/29/26/47/285292647.db2.gz HKPGPKMQIJYIOC-NXEZZACHSA-N 0 3 269.282 2.371 10 0 CEAEHN COc1cccc(S(=O)(=O)[C@H]2CCCCC[C@H]2N)c1 ZINC000081923472 177896788 /nfs/dbraw/zinc/89/67/88/177896788.db2.gz WCQRILHSBBVXFD-KGLIPLIRSA-N 0 3 283.393 2.129 10 0 CEAEHN Cc1cnc(NC(=O)[C@@]2(N)CCC[C@H](C)C2)s1 ZINC000080906016 177725327 /nfs/dbraw/zinc/72/53/27/177725327.db2.gz PUNRIDCSWODTRI-QPUJVOFHSA-N 0 3 253.371 2.298 10 0 CEAEHN Cc1cccnc1[C@@H](N)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094401078 184793547 /nfs/dbraw/zinc/79/35/47/184793547.db2.gz DNNJFMXPLVFKNM-KGLIPLIRSA-N 0 3 276.380 2.366 10 0 CEAEHN CO[C@H]1CCC[C@@H](OCc2ccc(CN)cn2)C1 ZINC000094761754 184855575 /nfs/dbraw/zinc/85/55/75/184855575.db2.gz OTAOFLXTKKINFI-UONOGXRCSA-N 0 3 250.342 2.015 10 0 CEAEHN CCN[C@@H](c1ccc2[nH]c(=O)oc2c1)[C@]1(C)CCCO1 ZINC000094788427 184864388 /nfs/dbraw/zinc/86/43/88/184864388.db2.gz YXPBGYQAULFTMR-ZFWWWQNUSA-N 0 3 276.336 2.341 10 0 CEAEHN CCCN[C@H](COC)c1cc(OC)cc(OC)c1 ZINC000094650994 184835145 /nfs/dbraw/zinc/83/51/45/184835145.db2.gz DGVIJISSYHLPKY-CQSZACIVSA-N 0 3 253.342 2.391 10 0 CEAEHN CCOC(=O)CCN[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189896138 130036812 /nfs/dbraw/zinc/03/68/12/130036812.db2.gz ZTBGMRJXLGYJNY-ZDUSSCGKSA-N 0 3 287.363 2.476 10 0 CEAEHN C[C@H](CNCc1ccc([C@H]2C[C@H]2C)o1)N1CCOCC1 ZINC000263165656 131284787 /nfs/dbraw/zinc/28/47/87/131284787.db2.gz PXQXMWZMNJMUQM-NFAWXSAZSA-N 0 3 278.396 2.213 10 0 CEAEHN COc1cc(OC)cc(N2CCNC[C@@H]2C(C)C)c1 ZINC000083479500 135023726 /nfs/dbraw/zinc/02/37/26/135023726.db2.gz WHCOGLGOJNCPKU-OAHLLOKOSA-N 0 3 264.369 2.138 10 0 CEAEHN NCc1cccnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000088416201 135054013 /nfs/dbraw/zinc/05/40/13/135054013.db2.gz WFVMPGBJWZRYPV-SNVBAGLBSA-N 0 3 259.275 2.319 10 0 CEAEHN NCc1cc(N2CCC(C(F)(F)F)CC2)ccn1 ZINC000088416235 135054161 /nfs/dbraw/zinc/05/41/61/135054161.db2.gz KNLCIZUNHMPKBA-UHFFFAOYSA-N 0 3 259.275 2.319 10 0 CEAEHN C[C@H]1CCc2ccccc2N1CC[C@@H]1CNCCO1 ZINC000091313552 135067717 /nfs/dbraw/zinc/06/77/17/135067717.db2.gz PEPJUQBLCONSKD-DZGCQCFKSA-N 0 3 260.381 2.206 10 0 CEAEHN C[C@H](O)C(C)(C)CN1CCN(c2ccc(F)cc2)CC1 ZINC000091405678 135069002 /nfs/dbraw/zinc/06/90/02/135069002.db2.gz GNNBVYRUEHEORF-ZDUSSCGKSA-N 0 3 280.387 2.355 10 0 CEAEHN C[C@H]1CN(c2cccc(F)c2CN)CC(C)(C)O1 ZINC000093395398 135080361 /nfs/dbraw/zinc/08/03/61/135080361.db2.gz OSXYBZOUBCBERU-JTQLQIEISA-N 0 3 252.333 2.288 10 0 CEAEHN COC1CCN(c2nc(C(F)(F)F)ccc2CN)CC1 ZINC000094334086 135086119 /nfs/dbraw/zinc/08/61/19/135086119.db2.gz MOXDNGROCCJJBU-UHFFFAOYSA-N 0 3 289.301 2.174 10 0 CEAEHN COc1cc(N)cc(OC)c1OCCN1CCCCC1 ZINC000224788607 394467173 /nfs/dbraw/zinc/46/71/73/394467173.db2.gz ZTLMFLYRNZFTMM-UHFFFAOYSA-N 0 3 280.368 2.151 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1SCC ZINC000236926681 394490222 /nfs/dbraw/zinc/49/02/22/394490222.db2.gz BJXQUTLBQDTAAM-SRVKXCTJSA-N 0 3 258.431 2.294 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000040463735 394498979 /nfs/dbraw/zinc/49/89/79/394498979.db2.gz VMDOOLBETQBMGB-UTLUCORTSA-N 0 3 266.307 2.207 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@@H](C)C2)C1 ZINC000246592937 394519043 /nfs/dbraw/zinc/51/90/43/394519043.db2.gz YYAOADGGEREXPP-MCIONIFRSA-N 0 3 267.417 2.157 10 0 CEAEHN OC[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000048694471 394522550 /nfs/dbraw/zinc/52/25/50/394522550.db2.gz IHQWDGARTUOERN-CYBMUJFWSA-N 0 3 256.349 2.439 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000247041259 394525343 /nfs/dbraw/zinc/52/53/43/394525343.db2.gz GPPOUABGBNWIOA-JQWIXIFHSA-N 0 3 279.771 2.044 10 0 CEAEHN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)CCCCN2)[C@H]1C ZINC000248582205 394543954 /nfs/dbraw/zinc/54/39/54/394543954.db2.gz FNZSMTANKFFBQF-OSFYFWSMSA-N 0 3 252.402 2.460 10 0 CEAEHN FC(F)(F)c1cnc(N2CCN3CCC[C@@H]3C2)s1 ZINC000276869475 394816609 /nfs/dbraw/zinc/81/66/09/394816609.db2.gz JYKGYPBECRUAAQ-MRVPVSSYSA-N 0 3 277.315 2.446 10 0 CEAEHN CCNc1ncc(C(=O)N(C)C[C@@H]2CCCN2CC)s1 ZINC000129559419 394868230 /nfs/dbraw/zinc/86/82/30/394868230.db2.gz LOXCZKVSBXEQEH-NSHDSACASA-N 0 3 296.440 2.131 10 0 CEAEHN CN(CCN1CCN2CCCC[C@@H]2C1)c1ccccc1 ZINC000131796974 394919553 /nfs/dbraw/zinc/91/95/53/394919553.db2.gz ZJNQKHFUIJLACH-QGZVFWFLSA-N 0 3 273.424 2.293 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C1 ZINC000136580236 394970315 /nfs/dbraw/zinc/97/03/15/394970315.db2.gz OPEGECMQGSFBEZ-YPMHNXCESA-N 0 3 293.436 2.471 10 0 CEAEHN CO[C@@H]1C[C@H](CO)N(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000343973868 395047334 /nfs/dbraw/zinc/04/73/34/395047334.db2.gz HLGICPSLAHZDKN-CHWSQXEVSA-N 0 3 289.297 2.287 10 0 CEAEHN CCC[C@H](N)C(=O)NCCCOc1ccccc1C ZINC000158201445 395040650 /nfs/dbraw/zinc/04/06/50/395040650.db2.gz KVCAOIYUJUWKQS-ZDUSSCGKSA-N 0 3 264.369 2.008 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C/c2ccnc(Cl)c2)C1 ZINC000179224179 395185832 /nfs/dbraw/zinc/18/58/32/395185832.db2.gz JHLOLHRSRFKUAK-URWSZGRFSA-N 0 3 293.798 2.349 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCC3(CC3)C2)C1 ZINC000185846333 395283061 /nfs/dbraw/zinc/28/30/61/395283061.db2.gz NVVVCFGETGYHQF-KGLIPLIRSA-N 0 3 279.428 2.301 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1ccc(OC)c(O)c1 ZINC000195182795 395461557 /nfs/dbraw/zinc/46/15/57/395461557.db2.gz IVKZRLLDRIPRSP-CQSZACIVSA-N 0 3 297.395 2.010 10 0 CEAEHN O=C(c1cccc2c1CCC2)N1CCN2CCC[C@H]2C1 ZINC000195337996 395464603 /nfs/dbraw/zinc/46/46/03/395464603.db2.gz RQUOLUSHHGKDBM-AWEZNQCLSA-N 0 3 270.376 2.096 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCc2ccc(F)cc2)C1 ZINC000194636135 395444882 /nfs/dbraw/zinc/44/48/82/395444882.db2.gz KMEPJANGSLOZCX-HNNXBMFYSA-N 0 3 278.371 2.359 10 0 CEAEHN Cc1ccc([C@@H](C)CCN2CCc3nncn3CC2)o1 ZINC000012131829 400105115 /nfs/dbraw/zinc/10/51/15/400105115.db2.gz WOIUTKKQXJUDBA-LBPRGKRZSA-N 0 3 274.368 2.231 10 0 CEAEHN COc1ccc(CNCC[C@@H]2CCCO2)c(OC)c1 ZINC000037988590 400122661 /nfs/dbraw/zinc/12/26/61/400122661.db2.gz SQIOZSQTTMNRGJ-ZDUSSCGKSA-N 0 3 265.353 2.363 10 0 CEAEHN O[C@@H]1CCC[C@@H](CN2CCN(Cc3ccccc3)CC2)C1 ZINC000390814343 400542492 /nfs/dbraw/zinc/54/24/92/400542492.db2.gz GOYRIBZYKZDGRD-QZTJIDSGSA-N 0 3 288.435 2.355 10 0 CEAEHN CCC[C@H](C(=O)NCC1(CCOCC)CCC1)N(C)C ZINC000157749828 289221049 /nfs/dbraw/zinc/22/10/49/289221049.db2.gz PQUKKVBOIMHSEL-CQSZACIVSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC=C(C)C ZINC000190598536 153132330 /nfs/dbraw/zinc/13/23/30/153132330.db2.gz MVBQOSXKVBQJBD-CYBMUJFWSA-N 0 3 253.390 2.078 10 0 CEAEHN O[C@@H](CN1CC[C@H](Oc2cccnc2)C1)C1CCCCC1 ZINC000190737571 153141788 /nfs/dbraw/zinc/14/17/88/153141788.db2.gz WFMMFRGBYBOYAD-IRXDYDNUSA-N 0 3 290.407 2.476 10 0 CEAEHN C[C@@H](NCC(=O)NCCC1=CCCCC1)[C@@H]1CCCO1 ZINC000193124254 153228495 /nfs/dbraw/zinc/22/84/95/153228495.db2.gz JCVZXNVKHMKTFI-HIFRSBDPSA-N 0 3 280.412 2.150 10 0 CEAEHN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195338776 153289518 /nfs/dbraw/zinc/28/95/18/153289518.db2.gz KIZGZGPOTCLALI-XJKSGUPXSA-N 0 3 290.382 2.311 10 0 CEAEHN OCC[C@@H]1CCN(CCOc2cccc(Cl)c2)C1 ZINC000227576259 153346139 /nfs/dbraw/zinc/34/61/39/153346139.db2.gz MXLYTBYXQAEPJX-LBPRGKRZSA-N 0 3 269.772 2.423 10 0 CEAEHN OCC[C@H]1CCN(Cc2ccccc2OC(F)F)C1 ZINC000227566657 153346736 /nfs/dbraw/zinc/34/67/36/153346736.db2.gz XVEUPWNTSGNJKA-LLVKDONJSA-N 0 3 271.307 2.492 10 0 CEAEHN COc1c(CNC[C@H]2CC[C@H](C)C2)c(C)nn1C ZINC000230410268 153394077 /nfs/dbraw/zinc/39/40/77/153394077.db2.gz CVXIPPOJBOSOLU-JQWIXIFHSA-N 0 3 251.374 2.263 10 0 CEAEHN CCc1cc(-c2nc([C@H]3CNCCN3C)no2)sc1C ZINC000263213488 154036036 /nfs/dbraw/zinc/03/60/36/154036036.db2.gz KMNXESIBJDFGTO-LLVKDONJSA-N 0 3 292.408 2.245 10 0 CEAEHN CN1CCNC[C@@H]1c1noc([C@@H]2CCCc3ccccc32)n1 ZINC000263278641 154049303 /nfs/dbraw/zinc/04/93/03/154049303.db2.gz TWKXQGJHSSRXKK-HUUCEWRRSA-N 0 3 298.390 2.114 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000263466687 154096816 /nfs/dbraw/zinc/09/68/16/154096816.db2.gz CTWOJDVEVJDUKP-BLYZHGLHSA-N 0 3 268.401 2.092 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C)c1cccc(F)c1F ZINC000282484025 154161393 /nfs/dbraw/zinc/16/13/93/154161393.db2.gz XAXZMZCAPKTKLG-SBMIAAHKSA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@@H]1COCC[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000193896490 297132808 /nfs/dbraw/zinc/13/28/08/297132808.db2.gz GSYUWDXFUUIBQT-KBMXLJTQSA-N 0 3 290.407 2.078 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCOC1CCC1 ZINC000376535249 157241682 /nfs/dbraw/zinc/24/16/82/157241682.db2.gz YHZONMZMGSOQBT-KBPBESRZSA-N 0 3 252.402 2.114 10 0 CEAEHN NCC1(c2nc(-c3ccc(F)c(F)c3)no2)CCOCC1 ZINC000166101962 162347773 /nfs/dbraw/zinc/34/77/73/162347773.db2.gz CKILBBFIAGBPNW-UHFFFAOYSA-N 0 3 295.289 2.022 10 0 CEAEHN Cc1noc(C)c1CCN1CC[C@H](Oc2ccncc2)C1 ZINC000166748002 162355119 /nfs/dbraw/zinc/35/51/19/162355119.db2.gz FSMFJVNDOBYOBR-HNNXBMFYSA-N 0 3 287.363 2.382 10 0 CEAEHN CCOc1cc(C(=O)N2CCN3CCC[C@H]3C2)ccc1C ZINC000172020183 162396846 /nfs/dbraw/zinc/39/68/46/162396846.db2.gz HANUNCZFJMYZJL-HNNXBMFYSA-N 0 3 288.391 2.314 10 0 CEAEHN Cc1csc([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)n1 ZINC000173587729 165074130 /nfs/dbraw/zinc/07/41/30/165074130.db2.gz MKNRCXJNUGDALB-CYBMUJFWSA-N 0 3 295.452 2.498 10 0 CEAEHN CCCCCC[C@@H](C)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173792219 165082272 /nfs/dbraw/zinc/08/22/72/165082272.db2.gz FYDMZJAJRBHZFW-CABCVRRESA-N 0 3 284.444 2.382 10 0 CEAEHN CC[C@@H]1CN(Cc2cnn(C(C)C)c2)CCN1CCOC ZINC000179512653 165283293 /nfs/dbraw/zinc/28/32/93/165283293.db2.gz ZRJNGVXEMOLJGX-MRXNPFEDSA-N 0 3 294.443 2.007 10 0 CEAEHN CCCn1cc(CN2CCC[C@H]2Cn2ccnc2C)cn1 ZINC000180126919 165298899 /nfs/dbraw/zinc/29/88/99/165298899.db2.gz LARCGDFLEZWUTP-INIZCTEOSA-N 0 3 287.411 2.463 10 0 CEAEHN CCc1nc2c(s1)[C@@H](NC[C@H]1CN(C)CCO1)CCC2 ZINC000180501593 165314366 /nfs/dbraw/zinc/31/43/66/165314366.db2.gz QZMPXNSYSSLCKG-RYUDHWBXSA-N 0 3 295.452 2.003 10 0 CEAEHN Cn1nccc1C1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000181670334 165352222 /nfs/dbraw/zinc/35/22/22/165352222.db2.gz VDRDQWBVETYOBG-INIZCTEOSA-N 0 3 293.411 2.143 10 0 CEAEHN CC(C)(C)OC(=O)CCCN1CCN2CCCC[C@@H]2C1 ZINC000182181785 165366668 /nfs/dbraw/zinc/36/66/68/165366668.db2.gz RFSKEWLHNNJTIX-CQSZACIVSA-N 0 3 282.428 2.278 10 0 CEAEHN CCCCN(C)S(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000019983622 170960316 /nfs/dbraw/zinc/96/03/16/170960316.db2.gz PVWGNXPCHAWXSR-LLVKDONJSA-N 0 3 270.398 2.127 10 0 CEAEHN CC(C)CN1CCN([C@@H](CN)c2cccs2)CC1 ZINC000020179373 171044422 /nfs/dbraw/zinc/04/44/22/171044422.db2.gz WOHFYJUBIWZXCF-ZDUSSCGKSA-N 0 3 267.442 2.022 10 0 CEAEHN C=COCCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000020197484 171061752 /nfs/dbraw/zinc/06/17/52/171061752.db2.gz LUKYQPWKKXNXGD-LBPRGKRZSA-N 0 3 283.393 2.291 10 0 CEAEHN N[C@H](Cc1c[nH]cn1)c1nc2cc(Cl)ccc2[nH]1 ZINC000020374757 171170576 /nfs/dbraw/zinc/17/05/76/171170576.db2.gz WPRDJZAJVINGEW-SECBINFHSA-N 0 3 261.716 2.182 10 0 CEAEHN N[C@H](Cc1c[nH]cn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000020374757 171170578 /nfs/dbraw/zinc/17/05/78/171170578.db2.gz WPRDJZAJVINGEW-SECBINFHSA-N 0 3 261.716 2.182 10 0 CEAEHN C[C@@H](N)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000020549165 171246112 /nfs/dbraw/zinc/24/61/12/171246112.db2.gz JZAOGXGMHBNGCM-GFCCVEGCSA-N 0 3 282.409 2.271 10 0 CEAEHN CCc1oc2ccccc2c1CNCCNC(C)=O ZINC000020936573 171281624 /nfs/dbraw/zinc/28/16/24/171281624.db2.gz VWIMCNSLZOWRHW-UHFFFAOYSA-N 0 3 260.337 2.221 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc(Cl)cc2)CCO1 ZINC000022209329 171372804 /nfs/dbraw/zinc/37/28/04/171372804.db2.gz VWCAGFUOIYPCHX-MFKMUULPSA-N 0 3 254.761 2.061 10 0 CEAEHN CCN(c1ccccc1)S(=O)(=O)c1cccc(CN)c1 ZINC000022223722 171379797 /nfs/dbraw/zinc/37/97/97/171379797.db2.gz VYQRKRSHKYYVJW-UHFFFAOYSA-N 0 3 290.388 2.361 10 0 CEAEHN COCCCNC1=NC[C@@H](c2ccccc2)S1 ZINC000035295267 172107298 /nfs/dbraw/zinc/10/72/98/172107298.db2.gz SIUCAQYGZGONOX-LBPRGKRZSA-N 0 3 250.367 2.457 10 0 CEAEHN CCN(c1nc2sccn2c1CNC)C1CC1 ZINC000035430072 172198233 /nfs/dbraw/zinc/19/82/33/172198233.db2.gz KIFCQUYTVQOKEP-UHFFFAOYSA-N 0 3 250.371 2.104 10 0 CEAEHN COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N)c1 ZINC000035571719 172267573 /nfs/dbraw/zinc/26/75/73/172267573.db2.gz DIPGATWUKWINFF-ZIAGYGMSSA-N 0 3 292.379 2.357 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1ccc(C)cc1[C@H](C)NC ZINC000035629514 172309547 /nfs/dbraw/zinc/30/95/47/172309547.db2.gz OGRXOXABDYEWBZ-NWDGAFQWSA-N 0 3 264.369 2.179 10 0 CEAEHN C[C@H](O)c1cc(F)ccc1N(C)C1CCN(C)CC1 ZINC000035631319 172313872 /nfs/dbraw/zinc/31/38/72/172313872.db2.gz MORKMAYTGNTJIN-NSHDSACASA-N 0 3 266.360 2.409 10 0 CEAEHN CCCCNS(=O)(=O)c1cccc([C@@H](C)NC)c1 ZINC000035633201 172315975 /nfs/dbraw/zinc/31/59/75/172315975.db2.gz RLVOKDOVENWRNP-LLVKDONJSA-N 0 3 270.398 2.045 10 0 CEAEHN C[C@@H](NC1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000035652250 172328873 /nfs/dbraw/zinc/32/88/73/172328873.db2.gz JOHJFNJHKCFHQA-SNVBAGLBSA-N 0 3 271.357 2.054 10 0 CEAEHN NCc1cc(Cl)cc(Cl)c1OCC(=O)NC1CC1 ZINC000035661844 172339737 /nfs/dbraw/zinc/33/97/37/172339737.db2.gz LUARXOCZYZKMHN-UHFFFAOYSA-N 0 3 289.162 2.110 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)Cc1ccccc1)c1ccco1 ZINC000035738318 172392007 /nfs/dbraw/zinc/39/20/07/172392007.db2.gz HBGVXURSXVGERL-WCQYABFASA-N 0 3 258.321 2.027 10 0 CEAEHN CN[C@H]1CCCS(=O)(=O)c2c(Cl)cccc21 ZINC000035761222 172399449 /nfs/dbraw/zinc/39/94/49/172399449.db2.gz FYEIHYXEGQDZLN-JTQLQIEISA-N 0 3 259.758 2.168 10 0 CEAEHN CNCc1nc(-c2ccccc2OC(F)F)c[nH]1 ZINC000036877330 172773546 /nfs/dbraw/zinc/77/35/46/172773546.db2.gz WOBGFPKKQFEKMS-UHFFFAOYSA-N 0 3 253.252 2.398 10 0 CEAEHN CC[C@H](C)CN(C)S(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000037173955 173007411 /nfs/dbraw/zinc/00/74/11/173007411.db2.gz CGOXFNRGTHNXNY-NWDGAFQWSA-N 0 3 284.425 2.373 10 0 CEAEHN CC[C@@H](C)CN(C)S(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000037173954 173007999 /nfs/dbraw/zinc/00/79/99/173007999.db2.gz CGOXFNRGTHNXNY-VXGBXAGGSA-N 0 3 284.425 2.373 10 0 CEAEHN C[C@@H](CO)N[C@H]1CCOc2ccc(Br)cc21 ZINC000037258740 173069330 /nfs/dbraw/zinc/06/93/30/173069330.db2.gz NFLRNKHZPHHOET-KWQFWETISA-N 0 3 286.169 2.243 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc3ccccc3n2C2CC2)C1 ZINC000037323690 173124581 /nfs/dbraw/zinc/12/45/81/173124581.db2.gz YWKGLTGAOPARSE-WCQYABFASA-N 0 3 257.337 2.421 10 0 CEAEHN CCOC(=O)C[C@@H](N)c1cc(Cl)c2c(c1)OCCO2 ZINC000037324541 173125016 /nfs/dbraw/zinc/12/50/16/173125016.db2.gz AAUIMUSYNRAGFB-SNVBAGLBSA-N 0 3 285.727 2.064 10 0 CEAEHN C[C@H]1CCCCN1[C@@H](CN)c1ccc2c(c1)OCO2 ZINC000037325590 173126641 /nfs/dbraw/zinc/12/66/41/173126641.db2.gz HSUDDVJAFWAZEB-AAEUAGOBSA-N 0 3 262.353 2.290 10 0 CEAEHN CC(C)NCC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000037394758 173175561 /nfs/dbraw/zinc/17/55/61/173175561.db2.gz TZLHAFHNYNBKMA-SECBINFHSA-N 0 3 256.296 2.140 10 0 CEAEHN COc1cc(CN[C@@H](C)[C@H]2CCCO2)cc2c1OCCO2 ZINC000037408438 173185336 /nfs/dbraw/zinc/18/53/36/173185336.db2.gz AEBAYTIAMJWCIG-WCQYABFASA-N 0 3 293.363 2.124 10 0 CEAEHN CSCc1ccc(CN[C@H]2CN3CCC2CC3)o1 ZINC000037414526 173191283 /nfs/dbraw/zinc/19/12/83/173191283.db2.gz CLQXHBLOSHFEMA-AWEZNQCLSA-N 0 3 266.410 2.326 10 0 CEAEHN CC[C@H](C)N[C@]1(C(N)=O)CCCCc2ccccc21 ZINC000038065341 174075972 /nfs/dbraw/zinc/07/59/72/174075972.db2.gz VEASFQJGCJOAAP-BLLLJJGKSA-N 0 3 260.381 2.482 10 0 CEAEHN CC[C@@H](C)N[C@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000038065768 174077081 /nfs/dbraw/zinc/07/70/81/174077081.db2.gz WNBBLNVSOWAEHF-YGRLFVJLSA-N 0 3 266.410 2.497 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000040487170 174289590 /nfs/dbraw/zinc/28/95/90/174289590.db2.gz TZOCAAHXYJURCT-SYQHCUMBSA-N 0 3 252.402 2.399 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2cc(Cl)ccc2N)C1 ZINC000040501647 174298074 /nfs/dbraw/zinc/29/80/74/174298074.db2.gz YSNFOPCPJRQNRC-LLVKDONJSA-N 0 3 281.787 2.136 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000040632975 174359426 /nfs/dbraw/zinc/35/94/26/174359426.db2.gz RKTAQBCJBVYQHT-NWDGAFQWSA-N 0 3 276.361 2.217 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccccc3F)c[nH]2)C1 ZINC000040637840 174362048 /nfs/dbraw/zinc/36/20/48/174362048.db2.gz ZQBUPBPVLQZIIB-JOYOIKCWSA-N 0 3 261.300 2.265 10 0 CEAEHN COc1ccc(-c2c[nH]c([C@H]3C[C@H](OC)CN3)n2)cc1 ZINC000040637884 174362090 /nfs/dbraw/zinc/36/20/90/174362090.db2.gz ZZXGEUULKASWIA-QWHCGFSZSA-N 0 3 273.336 2.135 10 0 CEAEHN NCc1c(Oc2ccc(CO)cc2)nc2ccccn21 ZINC000040711266 174381018 /nfs/dbraw/zinc/38/10/18/174381018.db2.gz XXESXOBDIQYHCK-UHFFFAOYSA-N 0 3 269.304 2.078 10 0 CEAEHN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)c2ccccc2N1 ZINC000040716166 174383685 /nfs/dbraw/zinc/38/36/85/174383685.db2.gz QDFBSUZOWGKCKO-UMVBOHGHSA-N 0 3 287.407 2.185 10 0 CEAEHN CCOC(=O)c1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000040855475 174422961 /nfs/dbraw/zinc/42/29/61/174422961.db2.gz SYGMPLWVLSPREV-GFCCVEGCSA-N 0 3 278.352 2.175 10 0 CEAEHN CN(C(=O)CCc1cccs1)[C@H](CN)C(F)(F)F ZINC000662977951 414816243 /nfs/dbraw/zinc/81/62/43/414816243.db2.gz MYXVMGQSGLXEKA-SECBINFHSA-N 0 3 280.315 2.029 10 0 CEAEHN C[C@@H]1CCC[C@H](C(=O)N(C)[C@H](CN)C(F)(F)F)C1 ZINC000662976515 414816641 /nfs/dbraw/zinc/81/66/41/414816641.db2.gz GALUPSVXRPPYSH-KXUCPTDWSA-N 0 3 266.307 2.161 10 0 CEAEHN CN(C(=O)C1CCCCCC1)[C@@H](CN)C(F)(F)F ZINC000662978430 414816766 /nfs/dbraw/zinc/81/67/66/414816766.db2.gz PKSQORLAKMCYJR-JTQLQIEISA-N 0 3 266.307 2.305 10 0 CEAEHN CC[C@@H]1C[C@H](N[C@@H](CN(C)C)c2ccccc2)CO1 ZINC000657297312 414840634 /nfs/dbraw/zinc/84/06/34/414840634.db2.gz LKKPPXFHSSYXSZ-XHSDSOJGSA-N 0 3 262.397 2.446 10 0 CEAEHN CCN(CC(=O)NC(C)C)[C@H](c1sccc1C)[C@@H](C)N ZINC000043248655 174992915 /nfs/dbraw/zinc/99/29/15/174992915.db2.gz ABYILZWKFQJRFU-OCCSQVGLSA-N 0 3 297.468 2.291 10 0 CEAEHN N[C@H](c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000043299904 175000263 /nfs/dbraw/zinc/00/02/63/175000263.db2.gz PSMBNAWYTCOPES-KWQFWETISA-N 0 3 293.310 2.140 10 0 CEAEHN CN[C@@H](c1cccc(OC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300719 175001632 /nfs/dbraw/zinc/00/16/32/175001632.db2.gz RXYVSPWKPFBJOG-ZFWWWQNUSA-N 0 3 297.420 2.169 10 0 CEAEHN Cc1cccc([C@@H](CN)N2CCOCC2(C)C)c1C ZINC000043314835 175004576 /nfs/dbraw/zinc/00/45/76/175004576.db2.gz VQSHSLFIEGYUTQ-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N1CCO[C@@H](CC)C1 ZINC000043334871 175010610 /nfs/dbraw/zinc/01/06/10/175010610.db2.gz OLRUHBMLXIZOHK-OUCADQQQSA-N 0 3 252.358 2.169 10 0 CEAEHN C[C@@H](N)[C@@H](c1ccco1)N(C)CCc1ccncc1 ZINC000043335414 175011182 /nfs/dbraw/zinc/01/11/82/175011182.db2.gz HBDIFGLPRKUKLH-DOMZBBRYSA-N 0 3 259.353 2.237 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccco1)N1CCOC(C)(C)C1 ZINC000043335312 175011450 /nfs/dbraw/zinc/01/14/50/175011450.db2.gz MASJFWGIAUTZLC-YPMHNXCESA-N 0 3 252.358 2.169 10 0 CEAEHN C[C@H](N)[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1ccco1 ZINC000043337839 175012684 /nfs/dbraw/zinc/01/26/84/175012684.db2.gz JUYAUPTXLIQEHN-HZMBPMFUSA-N 0 3 295.360 2.150 10 0 CEAEHN CC(=O)Nc1ccccc1O[C@H](CN)c1ccccn1 ZINC000043342508 175015995 /nfs/dbraw/zinc/01/59/95/175015995.db2.gz NCPJWRNTOOLUAK-OAHLLOKOSA-N 0 3 271.320 2.119 10 0 CEAEHN NC[C@H](OCCOc1ccccc1)c1ccncc1 ZINC000043355597 175023021 /nfs/dbraw/zinc/02/30/21/175023021.db2.gz KXRSGACQFVDJPG-HNNXBMFYSA-N 0 3 258.321 2.177 10 0 CEAEHN Cc1ccc([C@@H]([C@@H](C)N)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000043363670 175024003 /nfs/dbraw/zinc/02/40/03/175024003.db2.gz ZPGUZNUGBZIOPP-GFQSEFKGSA-N 0 3 252.358 2.086 10 0 CEAEHN CC[C@@H]1CN([C@@H](c2ccc(C)o2)[C@@H](C)N)CCO1 ZINC000043364188 175025099 /nfs/dbraw/zinc/02/50/99/175025099.db2.gz YRARQCCBLNPJMG-YRGRVCCFSA-N 0 3 252.358 2.087 10 0 CEAEHN CN(C)CCNCc1sccc1Br ZINC000043674810 175087975 /nfs/dbraw/zinc/08/79/75/175087975.db2.gz WGYCNTMXAMJNTR-UHFFFAOYSA-N 0 3 263.204 2.162 10 0 CEAEHN COCCN(C)[C@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390484 175033556 /nfs/dbraw/zinc/03/35/56/175033556.db2.gz AKSGJBIDDZOJKG-GFCCVEGCSA-N 0 3 260.740 2.057 10 0 CEAEHN COC[C@H](C)N(C)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390557 175033623 /nfs/dbraw/zinc/03/36/23/175033623.db2.gz IBGKGKPYBQIZRH-ZANVPECISA-N 0 3 274.767 2.446 10 0 CEAEHN CN[C@@H](CN1CCC(OC)CC1)c1cccc(OC)c1 ZINC000043889969 175117805 /nfs/dbraw/zinc/11/78/05/175117805.db2.gz UUPWPYCBAZFEFE-INIZCTEOSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@H](CN1CCOC(C)(C)C1)c1cccc(OC)c1 ZINC000043897876 175120555 /nfs/dbraw/zinc/12/05/55/175120555.db2.gz DGMZNXVIXRDULQ-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@@H](CN(C)CC(F)(F)F)c1ccccc1OC ZINC000043900524 175121810 /nfs/dbraw/zinc/12/18/10/175121810.db2.gz SJVZYWZOGKOFLK-NSHDSACASA-N 0 3 276.302 2.450 10 0 CEAEHN CCCN[C@@H]1c2ccccc2OC[C@@H]1N(CC)CCOC ZINC000043968807 175129638 /nfs/dbraw/zinc/12/96/38/175129638.db2.gz YIPPNSOTHRWNFY-DOTOQJQBSA-N 0 3 292.423 2.457 10 0 CEAEHN Cc1cc(N)ccc1C(=O)NCCN1CCC(C)CC1 ZINC000044748986 175244397 /nfs/dbraw/zinc/24/43/97/175244397.db2.gz RJKPTGOUBREQHU-UHFFFAOYSA-N 0 3 275.396 2.039 10 0 CEAEHN CC[C@@H](C)NC(=O)CCn1c(N)nc2cc(C)ccc21 ZINC000045005591 175288321 /nfs/dbraw/zinc/28/83/21/175288321.db2.gz UUGWKOPXGFOKBI-LLVKDONJSA-N 0 3 274.368 2.232 10 0 CEAEHN C[C@@H](N)c1cccc(S(=O)(=O)N(C)CC(C)(C)C)c1 ZINC000045089929 175305397 /nfs/dbraw/zinc/30/53/97/175305397.db2.gz OZPAQXQXOMLPNH-LLVKDONJSA-N 0 3 284.425 2.373 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@H](C)CN2CCCC2=O)c1C ZINC000045171754 175321002 /nfs/dbraw/zinc/32/10/02/175321002.db2.gz VBOXZPCDVZHBBL-VXGBXAGGSA-N 0 3 292.427 2.181 10 0 CEAEHN CCCN[C@](C)(CN1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC000045224521 175332624 /nfs/dbraw/zinc/33/26/24/175332624.db2.gz RHGBSBOGRRAGMV-IJEWVQPXSA-N 0 3 284.444 2.286 10 0 CEAEHN CCOC(=O)[C@](C)(CN1[C@H](C)CCC[C@@H]1C)NC1CC1 ZINC000045231837 175335794 /nfs/dbraw/zinc/33/57/94/175335794.db2.gz SEMORHGQILERNZ-ZENOOKHLSA-N 0 3 282.428 2.323 10 0 CEAEHN CCOC(=O)[C@](CN(C)CC(C)C)(NC)c1ccccc1 ZINC000045263454 175337776 /nfs/dbraw/zinc/33/77/76/175337776.db2.gz XOAPXGPNLUKGFX-QGZVFWFLSA-N 0 3 292.423 2.252 10 0 CEAEHN CCN[C@@](C)(CN1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC000045272081 175343385 /nfs/dbraw/zinc/34/33/85/175343385.db2.gz JKWTWFHJFLAXDL-UXLLHSPISA-N 0 3 296.455 2.430 10 0 CEAEHN CCCCN(CC[C@](C)([NH2+]CCC)C(=O)[O-])C1CC1 ZINC000045276306 175346512 /nfs/dbraw/zinc/34/65/12/175346512.db2.gz QCCPJDHTDJYEGU-HNNXBMFYSA-N 0 3 270.417 2.484 10 0 CEAEHN COC(=O)[C@](C)(CN(CC(C)C)C1CC1)NC(C)C ZINC000045277506 175347578 /nfs/dbraw/zinc/34/75/78/175347578.db2.gz PSJKVBHWISGUOX-HNNXBMFYSA-N 0 3 270.417 2.037 10 0 CEAEHN CCC1CCN(CC[C@@](C)(NC2CC2)C(=O)OC)CC1 ZINC000045281480 175352619 /nfs/dbraw/zinc/35/26/19/175352619.db2.gz IYZZBUXERQNOIQ-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCCN[C@@H](CN1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379479 175368229 /nfs/dbraw/zinc/36/82/29/175368229.db2.gz XJFWUYAYRJHTPZ-MJBXVCDLSA-N 0 3 270.417 2.181 10 0 CEAEHN CCCCN(CCCC)C[C@@H](NC(C)C)C(=O)OC ZINC000045380535 175368876 /nfs/dbraw/zinc/36/88/76/175368876.db2.gz PYQMCSCAFKUBID-CQSZACIVSA-N 0 3 272.433 2.428 10 0 CEAEHN CCCN[C@H](CN(CCC)C(C)C)C(=O)OCC ZINC000045385712 175371740 /nfs/dbraw/zinc/37/17/40/175371740.db2.gz UADVNSFPCMKHCH-CYBMUJFWSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCCCN(C)C[C@@H](NC(C)C)C(=O)OCC ZINC000045387856 175373738 /nfs/dbraw/zinc/37/37/38/175373738.db2.gz MVMKXDBJZKLVJM-CYBMUJFWSA-N 0 3 258.406 2.038 10 0 CEAEHN COc1ccc2c(c1)CN(C(=O)[C@]1(C)CCCCN1)C2 ZINC000655502646 415310538 /nfs/dbraw/zinc/31/05/38/415310538.db2.gz RYGSVUJIZWRBOF-INIZCTEOSA-N 0 3 274.364 2.070 10 0 CEAEHN COCCNCc1c(C)nc(-c2ccoc2)nc1C ZINC000070414733 175915397 /nfs/dbraw/zinc/91/53/97/175915397.db2.gz SLXAZTMNBCEMBK-UHFFFAOYSA-N 0 3 261.325 2.089 10 0 CEAEHN Cc1nn(Cc2ccccc2Br)cc1CN ZINC000070708103 176002334 /nfs/dbraw/zinc/00/23/34/176002334.db2.gz ZOUAVKILZCUIRG-UHFFFAOYSA-N 0 3 280.169 2.461 10 0 CEAEHN CNCc1cnn(Cc2sccc2Br)c1 ZINC000070708689 176002447 /nfs/dbraw/zinc/00/24/47/176002447.db2.gz REBVQECFIHZUET-UHFFFAOYSA-N 0 3 286.198 2.475 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000070824412 176007415 /nfs/dbraw/zinc/00/74/15/176007415.db2.gz LQSHSPTYSMJVAR-KOLCDFICSA-N 0 3 259.136 2.272 10 0 CEAEHN Cc1ccc([C@H]2[C@@H](N)CCC(=O)N2C2CC2)s1 ZINC000070987557 176018645 /nfs/dbraw/zinc/01/86/45/176018645.db2.gz CHMAWRNOFBBWMD-GXFFZTMASA-N 0 3 250.367 2.210 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc(F)cc1F ZINC000070987415 176018729 /nfs/dbraw/zinc/01/87/29/176018729.db2.gz CLFHCNSAFJELRH-TZMCWYRMSA-N 0 3 266.291 2.118 10 0 CEAEHN OCC1CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000071030839 176022103 /nfs/dbraw/zinc/02/21/03/176022103.db2.gz NNRMASSTKLWDEZ-INIZCTEOSA-N 0 3 261.365 2.005 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000071036304 176025444 /nfs/dbraw/zinc/02/54/44/176025444.db2.gz AGKHIQJBPNFEJS-LBPRGKRZSA-N 0 3 268.719 2.336 10 0 CEAEHN Cc1ccccc1[C@H](C)N1CC[C@H](NC2CC2)C1=O ZINC000071036948 176025736 /nfs/dbraw/zinc/02/57/36/176025736.db2.gz ZNRASNPQXYLETO-WFASDCNBSA-N 0 3 258.365 2.409 10 0 CEAEHN CCN[C@H]1CCCN(c2nc(C3CC3)cs2)C1=O ZINC000071036499 176026141 /nfs/dbraw/zinc/02/61/41/176026141.db2.gz NAPNWTDOSNVNBR-JTQLQIEISA-N 0 3 265.382 2.125 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2ccc3ncccc3c2)C1=O ZINC000071042557 176028686 /nfs/dbraw/zinc/02/86/86/176028686.db2.gz ODNYIGNUFICGMX-OAHLLOKOSA-N 0 3 269.348 2.338 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1[C@H]1CCOc2ccccc21 ZINC000071043271 176029208 /nfs/dbraw/zinc/02/92/08/176029208.db2.gz HOOOMIAMXBDNSD-GJZGRUSLSA-N 0 3 286.375 2.253 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1c1cc(F)c(F)c(F)c1 ZINC000071042894 176029219 /nfs/dbraw/zinc/02/92/19/176029219.db2.gz GJOVOHTYHXHVEB-GFCCVEGCSA-N 0 3 284.281 2.351 10 0 CEAEHN CC[C@H]1CCC[C@@H](O[C@@H](CN)c2cnn(C)c2)C1 ZINC000071130593 176035645 /nfs/dbraw/zinc/03/56/45/176035645.db2.gz AWTVCQRTOQJJIB-YUTCNCBUSA-N 0 3 251.374 2.405 10 0 CEAEHN Cc1noc(C)c1CNC1(CO)CCC(C)CC1 ZINC000071137722 176036262 /nfs/dbraw/zinc/03/62/62/176036262.db2.gz SGPWSGLBDATIJM-UHFFFAOYSA-N 0 3 252.358 2.322 10 0 CEAEHN Cc1c(Cl)nnc(N(C)C2CCN(C)CC2)c1C ZINC000071171103 176051511 /nfs/dbraw/zinc/05/15/11/176051511.db2.gz CEECXGVYFVCHQD-UHFFFAOYSA-N 0 3 268.792 2.277 10 0 CEAEHN CCN(Cc1ccccc1C)c1cnc(CN)cn1 ZINC000071177828 176055874 /nfs/dbraw/zinc/05/58/74/176055874.db2.gz KPEHSGYSWCGIEF-UHFFFAOYSA-N 0 3 256.353 2.270 10 0 CEAEHN CN1CC[C@H](NCc2cccc3ccccc32)C1=O ZINC000071183838 176059185 /nfs/dbraw/zinc/05/91/85/176059185.db2.gz UMQWTRBGZZDFPV-HNNXBMFYSA-N 0 3 254.333 2.160 10 0 CEAEHN c1cc2c(cc1[C@H]1CNC[C@@H](C3CC3)O1)OCCCO2 ZINC000071308807 176116504 /nfs/dbraw/zinc/11/65/04/176116504.db2.gz FYFJELGSCHXVIB-JKSUJKDBSA-N 0 3 275.348 2.287 10 0 CEAEHN Nc1ccn(CCN(Cc2cccs2)C2CC2)n1 ZINC000071378049 176143133 /nfs/dbraw/zinc/14/31/33/176143133.db2.gz BSCDRZATKKJRQU-UHFFFAOYSA-N 0 3 262.382 2.191 10 0 CEAEHN Cc1ccc(O[C@@H]2CCOC2=O)c(CNC(C)C)c1 ZINC000071406602 176155814 /nfs/dbraw/zinc/15/58/14/176155814.db2.gz GBXSUZDGAZUSRD-CQSZACIVSA-N 0 3 263.337 2.187 10 0 CEAEHN CCNC(=O)COc1ccc(C)cc1CNC(C)C ZINC000071406658 176156542 /nfs/dbraw/zinc/15/65/42/176156542.db2.gz SOCLRLCFRHNEFH-UHFFFAOYSA-N 0 3 264.369 2.008 10 0 CEAEHN Brc1ccccc1CC[C@@H]1COCCN1 ZINC000071601321 176228436 /nfs/dbraw/zinc/22/84/36/176228436.db2.gz CCUPNTVHWAHUTO-LLVKDONJSA-N 0 3 270.170 2.370 10 0 CEAEHN COc1cc(CN[C@@H](C)[C@@H]2CCCO2)cc2c1OCO2 ZINC000075782791 176783743 /nfs/dbraw/zinc/78/37/43/176783743.db2.gz CVFJPGCHJBENBA-JQWIXIFHSA-N 0 3 279.336 2.081 10 0 CEAEHN CNCC(=O)N[C@@H](C)c1ccc(OC)c(C(C)C)c1 ZINC000076368849 177006067 /nfs/dbraw/zinc/00/60/67/177006067.db2.gz NHOLIRYZMLDTEG-NSHDSACASA-N 0 3 264.369 2.215 10 0 CEAEHN CCN(Cc1cc(C(C)C)ccc1OC)C(=O)CN ZINC000076680152 177058084 /nfs/dbraw/zinc/05/80/84/177058084.db2.gz PIENJPSZTZGWJI-UHFFFAOYSA-N 0 3 264.369 2.126 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000135894660 419442166 /nfs/dbraw/zinc/44/21/66/419442166.db2.gz LDJGFJGPOPGCBW-LDYMZIIASA-N 0 3 252.362 2.019 10 0 CEAEHN CCN1CC[C@@H](NCc2nc3c(s2)CCCC3)C1 ZINC000666466467 419680918 /nfs/dbraw/zinc/68/09/18/419680918.db2.gz FIGXKPQJFDNXDP-LLVKDONJSA-N 0 3 265.426 2.206 10 0 CEAEHN O=C(OCc1ccccc1)N1CC[C@@]12CCCCN2 ZINC000091690567 260164133 /nfs/dbraw/zinc/16/41/33/260164133.db2.gz ADVRPMHYMUXPSQ-OAHLLOKOSA-N 0 3 260.337 2.499 10 0 CEAEHN CCC1CCC(NC(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000127005774 264246348 /nfs/dbraw/zinc/24/63/48/264246348.db2.gz ZUBJOQAESFEWCG-GFJIZPEISA-N 0 3 252.402 2.460 10 0 CEAEHN Cc1cc(C)n([C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C)n1 ZINC000194755925 270303338 /nfs/dbraw/zinc/30/33/38/270303338.db2.gz HZUURZDNVVZSAO-HUUCEWRRSA-N 0 3 294.443 2.153 10 0 CEAEHN C[C@@H](NC[C@@H](O)C1CCC1)c1nc2ccccc2n1C ZINC000316693670 270334808 /nfs/dbraw/zinc/33/48/08/270334808.db2.gz DIVYYUJHSHCRKZ-IAQYHMDHSA-N 0 3 273.380 2.385 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCC2(CO)CC2)c1C ZINC000395865584 270348479 /nfs/dbraw/zinc/34/84/79/270348479.db2.gz GPCHVGGXGGLCSW-NSHDSACASA-N 0 3 265.401 2.333 10 0 CEAEHN O[C@@H]1CC[C@@H]2CN(Cc3nc4ccccc4o3)C[C@H]2C1 ZINC000399018284 270365965 /nfs/dbraw/zinc/36/59/65/270365965.db2.gz UGLIEFGULPDIJN-JHJVBQTASA-N 0 3 272.348 2.421 10 0 CEAEHN CCOC(=O)c1cnc2c(C)cccc2c1N1CCNCC1 ZINC000053994917 273692656 /nfs/dbraw/zinc/69/26/56/273692656.db2.gz TUCPKRGREFVSNP-UHFFFAOYSA-N 0 3 299.374 2.130 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccccc1 ZINC000076421480 275594040 /nfs/dbraw/zinc/59/40/40/275594040.db2.gz ZXXLBVPLXGBOJU-OAHLLOKOSA-N 0 3 277.412 2.462 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCCC[C@H](C)C2)C1 ZINC000188480227 276176775 /nfs/dbraw/zinc/17/67/75/276176775.db2.gz HFQANORNPAHPJP-KBPBESRZSA-N 0 3 267.417 2.302 10 0 CEAEHN CC1=CCN(C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000335319151 276181996 /nfs/dbraw/zinc/18/19/96/276181996.db2.gz QABQLZCBUPEYQE-CQSZACIVSA-N 0 3 250.386 2.428 10 0 CEAEHN CC(C)(C)OC(=O)N1c2ccccc2CC[C@H](N)C1=O ZINC000238137553 277196742 /nfs/dbraw/zinc/19/67/42/277196742.db2.gz NXNBNRIAPCKSDV-NSHDSACASA-N 0 3 276.336 2.228 10 0 CEAEHN CN1c2ccccc2[C@@H](NC[C@H]2CCCCO2)CC1=O ZINC000042817230 277218059 /nfs/dbraw/zinc/21/80/59/277218059.db2.gz VBVKEHKPYFGXAG-OCCSQVGLSA-N 0 3 274.364 2.253 10 0 CEAEHN C[C@@H]1C[C@H](CN2C[C@@H]3CCCCN3C[C@H]2C)CCO1 ZINC000352605491 278011971 /nfs/dbraw/zinc/01/19/71/278011971.db2.gz NXGBTBQNDRKYHY-FPCVCCKLSA-N 0 3 266.429 2.360 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000184272902 278193552 /nfs/dbraw/zinc/19/35/52/278193552.db2.gz GXXJGUSMICQHFZ-UKRRQHHQSA-N 0 3 258.365 2.097 10 0 CEAEHN Cc1cc(C)c(C(=O)N2CCO[C@@H](CN(C)C)C2)c(C)c1 ZINC000153615598 278658918 /nfs/dbraw/zinc/65/89/18/278658918.db2.gz CIDFEOVFLQXYMH-HNNXBMFYSA-N 0 3 290.407 2.014 10 0 CEAEHN CCC[C@@]1(C)CCCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261619985 278911134 /nfs/dbraw/zinc/91/11/34/278911134.db2.gz CDDDQMCTLNEOAG-HOCLYGCPSA-N 0 3 282.428 2.169 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1COc2ccccc21 ZINC000113156327 279131813 /nfs/dbraw/zinc/13/18/13/279131813.db2.gz FKYBSECRASLUNX-HIFRSBDPSA-N 0 3 290.407 2.255 10 0 CEAEHN CC(C)C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180597748 279194857 /nfs/dbraw/zinc/19/48/57/279194857.db2.gz QDYPTZIXCHKATH-HIFRSBDPSA-N 0 3 285.395 2.365 10 0 CEAEHN CCN1CCC[C@H]1CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037213930 279336147 /nfs/dbraw/zinc/33/61/47/279336147.db2.gz OQXHZXWOSJAPQF-DZGCQCFKSA-N 0 3 287.407 2.168 10 0 CEAEHN CC(C)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105918196 279372901 /nfs/dbraw/zinc/37/29/01/279372901.db2.gz JNPCMWORFJSYNE-ZDUSSCGKSA-N 0 3 268.426 2.462 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000194683141 280192463 /nfs/dbraw/zinc/19/24/63/280192463.db2.gz RXSLCDKRMNABKG-ZIAGYGMSSA-N 0 3 299.459 2.172 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@H](C)c2ccccc2C)CC1 ZINC000133974678 280208621 /nfs/dbraw/zinc/20/86/21/280208621.db2.gz YDKBJJBPURHYOH-HZPDHXFCSA-N 0 3 276.424 2.445 10 0 CEAEHN CC(C)CSCCCN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246585025 280302419 /nfs/dbraw/zinc/30/24/19/280302419.db2.gz GHHBWMIXPHWHPF-GJZGRUSLSA-N 0 3 288.501 2.153 10 0 CEAEHN CSC[C@@H]1CCCN1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246602410 280303098 /nfs/dbraw/zinc/30/30/98/280303098.db2.gz DDPNPNFLTGYDEQ-RDBSUJKOSA-N 0 3 299.484 2.252 10 0 CEAEHN COC[C@H](C)CN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000249182104 280387834 /nfs/dbraw/zinc/38/78/34/280387834.db2.gz IVMHBIVGURSHQB-RFGFWPKPSA-N 0 3 269.385 2.075 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000253550678 280456504 /nfs/dbraw/zinc/45/65/04/280456504.db2.gz WCILARVLOHDUJG-RRFJBIMHSA-N 0 3 284.444 2.427 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccc(F)c(F)c1 ZINC000154659222 289152292 /nfs/dbraw/zinc/15/22/92/289152292.db2.gz FJDFRYFOGJUYTG-CYBMUJFWSA-N 0 3 296.361 2.450 10 0 CEAEHN Cn1c(CNC[C@@H](O)C(C)(C)C)nc2ccccc21 ZINC000304007561 289269947 /nfs/dbraw/zinc/26/99/47/289269947.db2.gz BBLCDPYZRWXONY-CYBMUJFWSA-N 0 3 261.369 2.070 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCc2cncn2C)c1C ZINC000401859243 289288997 /nfs/dbraw/zinc/28/89/97/289288997.db2.gz WYFYJXYVTNTRDZ-NSHDSACASA-N 0 3 275.400 2.147 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000191143128 297560350 /nfs/dbraw/zinc/56/03/50/297560350.db2.gz UECXMTHYQKOUCD-XHSDSOJGSA-N 0 3 294.439 2.278 10 0 CEAEHN CCCC[C@H](COC)NC(=O)[C@H](CCC)N(C)C ZINC000161954741 312645743 /nfs/dbraw/zinc/64/57/43/312645743.db2.gz YBHDSCJORQDMHV-OLZOCXBDSA-N 0 3 258.406 2.038 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000170833832 312664667 /nfs/dbraw/zinc/66/46/67/312664667.db2.gz IEFJSMGCZSDLRB-DZGCQCFKSA-N 0 3 291.370 2.159 10 0 CEAEHN CC(C)N[C@@H](CCOc1ccccc1C(C)C)C(N)=O ZINC000062550914 519734668 /nfs/dbraw/zinc/73/46/68/519734668.db2.gz VZJOUWJOIBIOKG-AWEZNQCLSA-N 0 3 278.396 2.431 10 0 CEAEHN CCNCCS(=O)(=O)Nc1c(C)cccc1C(C)C ZINC000049641155 519926429 /nfs/dbraw/zinc/92/64/29/519926429.db2.gz GSTIHSFFRXUDPO-UHFFFAOYSA-N 0 3 284.425 2.470 10 0 CEAEHN CCCNCc1ccoc1CN1CCOC(C)(C)C1 ZINC000052481779 519960035 /nfs/dbraw/zinc/96/00/35/519960035.db2.gz OKTSDLZESIOGRF-UHFFFAOYSA-N 0 3 266.385 2.390 10 0 CEAEHN CCCN[C@@H](CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439117 519995267 /nfs/dbraw/zinc/99/52/67/519995267.db2.gz LIQGLFVLJULCFE-AWEZNQCLSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@@H](CC[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439117 519995275 /nfs/dbraw/zinc/99/52/75/519995275.db2.gz LIQGLFVLJULCFE-AWEZNQCLSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@@H](CCN1CCCC(C)(C)C1)C(=O)OCC ZINC000069517040 519999427 /nfs/dbraw/zinc/99/94/27/519999427.db2.gz VPHSSWNWROCJHZ-AWEZNQCLSA-N 0 3 284.444 2.430 10 0 CEAEHN CCOC[C@@H](O)COc1ccc(Cl)cc1[C@@H](C)N ZINC000069275791 520106941 /nfs/dbraw/zinc/10/69/41/520106941.db2.gz JEESHYYKPZWGMI-MWLCHTKSSA-N 0 3 273.760 2.136 10 0 CEAEHN CCCOc1ccc([C@@H](N[C@H](C)CC)C(N)=O)cc1 ZINC000052920278 520417075 /nfs/dbraw/zinc/41/70/75/520417075.db2.gz NOYCCVZREJRQIM-BXUZGUMPSA-N 0 3 264.369 2.390 10 0 CEAEHN CCCc1nc(N(CC)[C@H](C)COC)sc1CN ZINC000054998670 521530847 /nfs/dbraw/zinc/53/08/47/521530847.db2.gz OIPWCLDOFIMEMW-SNVBAGLBSA-N 0 3 271.430 2.416 10 0 CEAEHN CCCc1nc(N2CCOC[C@H]2C)sc1CNC ZINC000054997365 521532007 /nfs/dbraw/zinc/53/20/07/521532007.db2.gz VRTIUTBSKGNRRA-SNVBAGLBSA-N 0 3 269.414 2.040 10 0 CEAEHN CCCc1nc(N2CCOC[C@@H]2CC)sc1CN ZINC000054997902 521533044 /nfs/dbraw/zinc/53/30/44/521533044.db2.gz MUWCTYSIIWYQOE-JTQLQIEISA-N 0 3 269.414 2.170 10 0 CEAEHN CCOc1ccccc1[C@@]([O-])([C@H](C)[NH3+])C(F)(F)F ZINC000062784687 521580419 /nfs/dbraw/zinc/58/04/19/521580419.db2.gz KOZTTWWKRXAVOS-KWQFWETISA-N 0 3 263.259 2.182 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)NCC ZINC000062747029 521743923 /nfs/dbraw/zinc/74/39/23/521743923.db2.gz QLQKCXONWDSHEG-GHMZBOCLSA-N 0 3 282.359 2.400 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(OC)ccc1OC(F)F ZINC000061300877 521941285 /nfs/dbraw/zinc/94/12/85/521941285.db2.gz PACPLCZXCQTUOZ-UHFFFAOYSA-N 0 3 288.294 2.233 10 0 CEAEHN COC(=O)c1cc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cs1 ZINC000412050901 533805523 /nfs/dbraw/zinc/80/55/23/533805523.db2.gz VEEZLRJZTBTHDL-YNEHKIRRSA-N 0 3 295.404 2.128 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCCC(=O)NC(C)C ZINC000062746307 522333372 /nfs/dbraw/zinc/33/33/72/522333372.db2.gz KKTLBUJGWPZYMO-NSHDSACASA-N 0 3 282.359 2.400 10 0 CEAEHN CN[C@@](C)(C[C@H](C)Oc1cccc(C(C)C)c1)C(N)=O ZINC000068655337 522422143 /nfs/dbraw/zinc/42/21/43/522422143.db2.gz ZVSKHCPWVVVPBE-LRDDRELGSA-N 0 3 278.396 2.431 10 0 CEAEHN CCN[C@](CC)(CC(=O)OC)c1ccc(OC)cc1 ZINC000087553781 517670753 /nfs/dbraw/zinc/67/07/53/517670753.db2.gz ZPLOMBOGQZNJIE-OAHLLOKOSA-N 0 3 265.353 2.473 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cnc(N)c(Cl)c1 ZINC000050707876 519340053 /nfs/dbraw/zinc/34/00/53/519340053.db2.gz JAOBQHNCTGDUMT-LLVKDONJSA-N 0 3 298.818 2.023 10 0 CEAEHN CC(C)N(CC(F)(F)F)c1ccnc(C(=N)N)c1 ZINC000061814309 519638900 /nfs/dbraw/zinc/63/89/00/519638900.db2.gz CSSOYQQZTGYAEL-UHFFFAOYSA-N 0 3 260.263 2.143 10 0 CEAEHN CC(C)N(CCCO)c1cc(Cl)ccc1CN ZINC000062786967 519645123 /nfs/dbraw/zinc/64/51/23/519645123.db2.gz WJXIHBBGLFUMFB-UHFFFAOYSA-N 0 3 256.777 2.396 10 0 CEAEHN CC(C)N(CCn1cc(N)cn1)Cc1cccs1 ZINC000050614819 519651429 /nfs/dbraw/zinc/65/14/29/519651429.db2.gz VNDQLFKZLXXTIS-UHFFFAOYSA-N 0 3 264.398 2.437 10 0 CEAEHN CC(C)N1CCO[C@@H](CN)[C@@H]1c1ccc(Cl)cc1 ZINC000070288633 519685186 /nfs/dbraw/zinc/68/51/86/519685186.db2.gz JSVSUDNOTOUFQP-KBPBESRZSA-N 0 3 268.788 2.449 10 0 CEAEHN CC(C)NCCS(=O)(=O)Nc1ccc(Cl)cc1 ZINC000049641617 519722004 /nfs/dbraw/zinc/72/20/04/519722004.db2.gz DTOVYQBIDNHACC-UHFFFAOYSA-N 0 3 276.789 2.080 10 0 CEAEHN CC(C)CN1CCN(CC[C@@H](O)C(C)(C)C)CC1 ZINC000055082360 519726193 /nfs/dbraw/zinc/72/61/93/519726193.db2.gz SEYUJCQGRBWXOR-CQSZACIVSA-N 0 3 256.434 2.057 10 0 CEAEHN CC(C)CN1CCN(C[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000055082312 519726513 /nfs/dbraw/zinc/72/65/13/519726513.db2.gz VOBRCANCOZCSEY-PMPSAXMXSA-N 0 3 268.445 2.057 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc(N)cc1Cl ZINC000049191861 519814480 /nfs/dbraw/zinc/81/44/80/519814480.db2.gz IONFZXBLRSQIBE-ZDUSSCGKSA-N 0 3 283.803 2.238 10 0 CEAEHN CC(C)c1ccn(-c2nc3sccn3c2CN)n1 ZINC000052884900 519848465 /nfs/dbraw/zinc/84/84/65/519848465.db2.gz NCAUNPCAXOTFAN-UHFFFAOYSA-N 0 3 261.354 2.164 10 0 CEAEHN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)OC[C@H]2NCC ZINC000062804839 519889283 /nfs/dbraw/zinc/88/92/83/519889283.db2.gz VRPOQCDLOOTPIW-BXUZGUMPSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCC1CCN(S(=O)(=O)c2cccc(CN)c2)CC1 ZINC000050906013 519902592 /nfs/dbraw/zinc/90/25/92/519902592.db2.gz CMRDZCABHKFUHC-UHFFFAOYSA-N 0 3 296.436 2.346 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(F)c(F)cc1F ZINC000061299558 519906937 /nfs/dbraw/zinc/90/69/37/519906937.db2.gz JDHDVKKOQKPQGZ-UHFFFAOYSA-N 0 3 260.259 2.431 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000061293851 519908393 /nfs/dbraw/zinc/90/83/93/519908393.db2.gz ZIJHCSLLWNAGOI-UHFFFAOYSA-N 0 3 286.379 2.258 10 0 CEAEHN CCCNCc1cc(CN(CC)[C@@H](C)COC)on1 ZINC000052504845 519944910 /nfs/dbraw/zinc/94/49/10/519944910.db2.gz RMNPNZYWCIWABE-LBPRGKRZSA-N 0 3 269.389 2.031 10 0 CEAEHN CCCNCc1nc(CN(CC)[C@H](C)COC)cs1 ZINC000052504652 519965445 /nfs/dbraw/zinc/96/54/45/519965445.db2.gz BGMTYMMIOFMKTO-GFCCVEGCSA-N 0 3 285.457 2.500 10 0 CEAEHN CCNCc1cc(CN2CCO[C@H]3CCC[C@@H]32)oc1C ZINC000052540183 519989300 /nfs/dbraw/zinc/98/93/00/519989300.db2.gz HHYIAMGDMIMAAE-HOTGVXAUSA-N 0 3 278.396 2.451 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1OC)[C@@H]1COCCO1 ZINC000055300535 520017846 /nfs/dbraw/zinc/01/78/46/520017846.db2.gz JRVMEAPNJLPIEN-HOTGVXAUSA-N 0 3 295.379 2.160 10 0 CEAEHN CCNCc1nccn1Cc1cc(F)ccc1F ZINC000051004689 520023430 /nfs/dbraw/zinc/02/34/30/520023430.db2.gz PLGAJAFTISIORD-UHFFFAOYSA-N 0 3 251.280 2.319 10 0 CEAEHN CCCN[C@@H]1COc2cc(O[C@H](C)C(=O)OC)ccc21 ZINC000062805017 520028337 /nfs/dbraw/zinc/02/83/37/520028337.db2.gz XTOLWBQCCVQZNN-ZWNOBZJWSA-N 0 3 279.336 2.060 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)OC ZINC000062746744 520076820 /nfs/dbraw/zinc/07/68/20/520076820.db2.gz LBAUHVRFKODXRF-UWVGGRQHSA-N 0 3 269.316 2.437 10 0 CEAEHN CCN[C@@H](C)c1cnc(Cc2ccncc2)nc1C ZINC000054963014 520079278 /nfs/dbraw/zinc/07/92/78/520079278.db2.gz BHQGZDWXMWOHRB-NSHDSACASA-N 0 3 256.353 2.441 10 0 CEAEHN CCCN[C@H](Cn1ncccc1=O)c1ccccc1C ZINC000061402939 520088260 /nfs/dbraw/zinc/08/82/60/520088260.db2.gz YUOSHDKKDJPOTJ-OAHLLOKOSA-N 0 3 271.364 2.293 10 0 CEAEHN CCCN[C@H]1COc2cc(OCCC(=O)NCC)ccc21 ZINC000062805078 520098572 /nfs/dbraw/zinc/09/85/72/520098572.db2.gz BISWEBQFGVBVBD-AWEZNQCLSA-N 0 3 292.379 2.025 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1cc2ccccc2o1 ZINC000052885550 520099502 /nfs/dbraw/zinc/09/95/02/520099502.db2.gz JBHUUHLXZUILGY-ZDUSSCGKSA-N 0 3 287.363 2.451 10 0 CEAEHN CCN[C@@H](Cc1cccc(OC)c1)c1cncnc1 ZINC000052887297 520104378 /nfs/dbraw/zinc/10/43/78/520104378.db2.gz OTUSWVAERHFBKU-HNNXBMFYSA-N 0 3 257.337 2.379 10 0 CEAEHN CCN[C@@H](Cn1ccc(=O)cc1)c1ccccc1OC ZINC000061627833 520107784 /nfs/dbraw/zinc/10/77/84/520107784.db2.gz JMLWPHIJBNJGLX-HNNXBMFYSA-N 0 3 272.348 2.208 10 0 CEAEHN CCCN[C@](COc1ccccc1CC)(C(N)=O)C1CC1 ZINC000069197956 520125203 /nfs/dbraw/zinc/12/52/03/520125203.db2.gz WDALCCHFIBHLPS-KRWDZBQOSA-N 0 3 290.407 2.262 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1cccc(OCC)c1)C(N)=O ZINC000068658302 520141516 /nfs/dbraw/zinc/14/15/16/520141516.db2.gz ISDMGADESMWQIB-WBMJQRKESA-N 0 3 294.395 2.096 10 0 CEAEHN CCCNc1ccnc(C(=O)N[C@H](CN(C)C)C(C)C)c1 ZINC000050779682 520184204 /nfs/dbraw/zinc/18/42/04/520184204.db2.gz BBXYJSRXDGZRHT-OAHLLOKOSA-N 0 3 292.427 2.220 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1cc(C)ccc1C ZINC000052885541 520197042 /nfs/dbraw/zinc/19/70/42/520197042.db2.gz ZVVIFVUGXYITDR-OAHLLOKOSA-N 0 3 275.396 2.321 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CCCO2)[C@H]1COCCO1 ZINC000055301021 520209697 /nfs/dbraw/zinc/20/96/97/520209697.db2.gz WDFIWFHPSIDVMA-HZPDHXFCSA-N 0 3 277.364 2.078 10 0 CEAEHN CCN[C@H]1COc2cc(OC[C@H]3CCCO3)ccc21 ZINC000062804722 520221341 /nfs/dbraw/zinc/22/13/41/520221341.db2.gz IMWGLHAULYAXCZ-OCCSQVGLSA-N 0 3 263.337 2.287 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1ccc(OCC)cc1)C(N)=O ZINC000068655106 520238115 /nfs/dbraw/zinc/23/81/15/520238115.db2.gz PKPWRQBYXYHQJX-MLGOLLRUSA-N 0 3 294.395 2.096 10 0 CEAEHN CCN[C@](CN(C)CC(C)(C)C)(C(=O)OCC)C1CC1 ZINC000069132528 520243620 /nfs/dbraw/zinc/24/36/20/520243620.db2.gz MVCZAAIAXLBBJZ-INIZCTEOSA-N 0 3 284.444 2.286 10 0 CEAEHN CCN[C@](CSc1ccccc1C)(C(N)=O)C1CC1 ZINC000069188277 520252370 /nfs/dbraw/zinc/25/23/70/520252370.db2.gz HOBRQECOSAVEHF-HNNXBMFYSA-N 0 3 278.421 2.331 10 0 CEAEHN CCN[C@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185548 520253666 /nfs/dbraw/zinc/25/36/66/520253666.db2.gz ONWQRFIIUYAOLQ-AWEZNQCLSA-N 0 3 264.394 2.022 10 0 CEAEHN CCN(C)c1nc2ccccc2cc1CNCCOC ZINC000062735066 520289292 /nfs/dbraw/zinc/28/92/92/520289292.db2.gz ADCDIJFQUQJRBR-UHFFFAOYSA-N 0 3 273.380 2.427 10 0 CEAEHN CCO[C@@H]1CCCN(Cc2nc(NN)ccc2Cl)C1 ZINC000061638735 520319739 /nfs/dbraw/zinc/31/97/39/520319739.db2.gz BCJPPTANKYPTMG-SNVBAGLBSA-N 0 3 284.791 2.022 10 0 CEAEHN CC1(C)COCCN1c1nc2c(s1)[C@H](N)CCC2 ZINC000054898414 520507238 /nfs/dbraw/zinc/50/72/38/520507238.db2.gz WEHUDGYUPIUKGN-SECBINFHSA-N 0 3 267.398 2.094 10 0 CEAEHN CCC[C@@H](NC(=O)[C@H](N)CCOC)c1cccs1 ZINC000052810139 520747862 /nfs/dbraw/zinc/74/78/62/520747862.db2.gz AMGZCJJUIKUOCX-GHMZBOCLSA-N 0 3 270.398 2.069 10 0 CEAEHN CCOC(=O)C[C@]1(N2CCOCC2)C[C@H](C)CC[C@@H]1C ZINC000068633914 520903022 /nfs/dbraw/zinc/90/30/22/520903022.db2.gz MDAHJRPTIWXQPU-IJEWVQPXSA-N 0 3 283.412 2.467 10 0 CEAEHN CCOc1ccc(C)cc1[C@@H](NC)[C@@H]1COCCO1 ZINC000055301423 520927786 /nfs/dbraw/zinc/92/77/86/520927786.db2.gz WUYLTWPGLMIRJX-LSDHHAIUSA-N 0 3 265.353 2.070 10 0 CEAEHN CCN(CC1CC1)[C@H](C)C(=O)Nc1ccc(F)c(N)c1 ZINC000069237077 520966759 /nfs/dbraw/zinc/96/67/59/520966759.db2.gz DOFDGIQEPLCLAT-SNVBAGLBSA-N 0 3 279.359 2.467 10 0 CEAEHN CCOc1ccc([C@@H](NC)C(C)(C)S(C)(=O)=O)cc1 ZINC000070128538 521231768 /nfs/dbraw/zinc/23/17/68/521231768.db2.gz NOPVBUQRNADHGL-CYBMUJFWSA-N 0 3 285.409 2.169 10 0 CEAEHN CCOc1ccc([C@H](NC)[C@H]2COCCO2)cc1OCC ZINC000055299472 521263549 /nfs/dbraw/zinc/26/35/49/521263549.db2.gz JTQDPKPSUUQUCI-CVEARBPZSA-N 0 3 295.379 2.160 10 0 CEAEHN CCOc1cccc(CNCCOC)c1OCC ZINC000062732767 521361317 /nfs/dbraw/zinc/36/13/17/521361317.db2.gz VPBUIVVDYDANPU-UHFFFAOYSA-N 0 3 253.342 2.220 10 0 CEAEHN CCC(C)(C)[C@H]1CCc2[nH]nc(N3CCNCC3)c2C1 ZINC000062670040 521366565 /nfs/dbraw/zinc/36/65/65/521366565.db2.gz QVSCGSWGHKLNMV-LBPRGKRZSA-N 0 3 276.428 2.360 10 0 CEAEHN CCOc1cccc(OCc2cccnc2C(=N)N)c1 ZINC000061658873 521404209 /nfs/dbraw/zinc/40/42/09/521404209.db2.gz NHSRGSYTYHJLQF-UHFFFAOYSA-N 0 3 271.320 2.343 10 0 CEAEHN CCCc1ccc([C@@H](N)Cn2cc(C)cnc2=O)cc1 ZINC000063049839 521413953 /nfs/dbraw/zinc/41/39/53/521413953.db2.gz FEJVHGTXCMIKAO-HNNXBMFYSA-N 0 3 271.364 2.204 10 0 CEAEHN CCCc1nc(N(CCC)CCN(C)C)sc1CO ZINC000055004292 521530524 /nfs/dbraw/zinc/53/05/24/521530524.db2.gz MXLHDIHGGBDAQB-UHFFFAOYSA-N 0 3 285.457 2.366 10 0 CEAEHN CCC(CC)NC(=O)[C@@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555872 521586664 /nfs/dbraw/zinc/58/66/64/521586664.db2.gz NULYAWKTTYWYQS-HIFRSBDPSA-N 0 3 285.476 2.246 10 0 CEAEHN CCN1CCC[C@@H](Nc2nc(Cl)nc(OC(C)C)n2)C1 ZINC000061539210 521626165 /nfs/dbraw/zinc/62/61/65/521626165.db2.gz SHLJQAMZQCYCML-SNVBAGLBSA-N 0 3 299.806 2.208 10 0 CEAEHN CCCN(CCN(C)C)C(=O)c1cc(Cl)ccc1NN ZINC000051117372 521655659 /nfs/dbraw/zinc/65/56/59/521655659.db2.gz RYPBZJMJNJPBKF-UHFFFAOYSA-N 0 3 298.818 2.039 10 0 CEAEHN CCCN1C(=O)C[C@H](N)[C@H]1c1ccc(Cl)cc1 ZINC000062209587 521699760 /nfs/dbraw/zinc/69/97/60/521699760.db2.gz KQQHONWJRGJJEF-WCQYABFASA-N 0 3 252.745 2.351 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000052792084 521824343 /nfs/dbraw/zinc/82/43/43/521824343.db2.gz XSQTVOPGVGNZSP-ZIAGYGMSSA-N 0 3 282.359 2.003 10 0 CEAEHN CN(C)Cc1ccccc1NC(=O)c1csc(N)n1 ZINC000055185752 521933565 /nfs/dbraw/zinc/93/35/65/521933565.db2.gz LWYVLGICWQEPBS-UHFFFAOYSA-N 0 3 276.365 2.039 10 0 CEAEHN COCC[C@H](N)C(=O)NCCCCCCC(C)C ZINC000052809776 521941719 /nfs/dbraw/zinc/94/17/19/521941719.db2.gz RCTYBUZGQQYQKO-ZDUSSCGKSA-N 0 3 258.406 2.073 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000061316460 521942407 /nfs/dbraw/zinc/94/24/07/521942407.db2.gz KVKLBNGQLNHMFG-UHFFFAOYSA-N 0 3 261.369 2.223 10 0 CEAEHN CCc1ccsc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069132653 521994128 /nfs/dbraw/zinc/99/41/28/521994128.db2.gz KRCVNDURCUFVEC-NXEZZACHSA-N 0 3 252.383 2.133 10 0 CEAEHN CNCc1c(C)nc(-c2cccc(OC)c2)nc1C ZINC000054854055 522099806 /nfs/dbraw/zinc/09/98/06/522099806.db2.gz OUBSNHBSYKGXCY-UHFFFAOYSA-N 0 3 257.337 2.488 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@H](N[C@@H](C)Cc2ccsc2)C1=O ZINC000049163122 522107733 /nfs/dbraw/zinc/10/77/33/522107733.db2.gz JQRWGTOJABLCOW-LOWVWBTDSA-N 0 3 294.420 2.195 10 0 CEAEHN CC[C@@H](C)N1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000055069708 522130955 /nfs/dbraw/zinc/13/09/55/522130955.db2.gz FSVWVSMMRVNHCB-XYPHTWIQSA-N 0 3 274.408 2.061 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ncc([C@@H](C)NC)s2)CC1 ZINC000055076250 522136330 /nfs/dbraw/zinc/13/63/30/522136330.db2.gz DMJKGVVQEPUVJV-VXGBXAGGSA-N 0 3 282.457 2.344 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052395775 522321708 /nfs/dbraw/zinc/32/17/08/522321708.db2.gz YELWSYZFQKTWDN-NUOQBOJZSA-N 0 3 264.413 2.315 10 0 CEAEHN CN[C@@H](Cn1nc(C)ccc1=O)c1cc2ccccc2o1 ZINC000061810276 522365794 /nfs/dbraw/zinc/36/57/94/522365794.db2.gz DMBGEAVJHXVGQM-ZDUSSCGKSA-N 0 3 283.331 2.259 10 0 CEAEHN CN[C@@H]1CC(C)(C)Cc2nc([C@H]3CCOC3)ncc21 ZINC000051691549 522374139 /nfs/dbraw/zinc/37/41/39/522374139.db2.gz AGJYESKNZPSTFN-CMPLNLGQSA-N 0 3 261.369 2.213 10 0 CEAEHN CN[C@@H]1COc2cc(OCCc3ccncc3)ccc21 ZINC000062804265 522400976 /nfs/dbraw/zinc/40/09/76/522400976.db2.gz GQUDVQXLGICRRK-OAHLLOKOSA-N 0 3 270.332 2.356 10 0 CEAEHN CN[C@H](CN1CCN(C)C1=O)c1ccc(OC(C)C)cc1 ZINC000052885585 522466823 /nfs/dbraw/zinc/46/68/23/522466823.db2.gz JDJDPLWQVBOUJQ-OAHLLOKOSA-N 0 3 291.395 2.102 10 0 CEAEHN CN[C@H](c1ccc(OC(C)C)cc1)[C@@H]1COCCO1 ZINC000055299623 522479356 /nfs/dbraw/zinc/47/93/56/522479356.db2.gz HWHKEQHHFPNUEI-LSDHHAIUSA-N 0 3 265.353 2.150 10 0 CEAEHN CCc1nc2cc(N)ccc2n1[C@@H](C)CN1CCOCC1 ZINC000052854844 522487160 /nfs/dbraw/zinc/48/71/60/522487160.db2.gz PMZYEMHRAVNHBX-LBPRGKRZSA-N 0 3 288.395 2.074 10 0 CEAEHN CN[C@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702751 522489865 /nfs/dbraw/zinc/48/98/65/522489865.db2.gz HMPZYOYAJSINGA-KBPBESRZSA-N 0 3 267.394 2.381 10 0 CEAEHN CN[C@H]1COc2cc(O[C@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000062804384 522507586 /nfs/dbraw/zinc/50/75/86/522507586.db2.gz ZMDXOQDSPPVBLK-MFKMUULPSA-N 0 3 292.379 2.022 10 0 CEAEHN CN[C@H]1COc2cc(OCc3cccnc3)ccc21 ZINC000062804492 522507618 /nfs/dbraw/zinc/50/76/18/522507618.db2.gz IXMORWILNZJKTA-AWEZNQCLSA-N 0 3 256.305 2.314 10 0 CEAEHN CN[C@](COc1cc(C)ccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197193 522529766 /nfs/dbraw/zinc/52/97/66/522529766.db2.gz FAANGBANSIRIRX-KRWDZBQOSA-N 0 3 290.407 2.351 10 0 CEAEHN CNc1ccc(Cl)c(CN(C)C2CCN(C)CC2)n1 ZINC000061630758 522619862 /nfs/dbraw/zinc/61/98/62/522619862.db2.gz ZMTPPYWVQAXPRN-UHFFFAOYSA-N 0 3 282.819 2.303 10 0 CEAEHN COC1CCN(c2nc3c(s2)[C@@H](N)CCC3)CC1 ZINC000054895424 522709195 /nfs/dbraw/zinc/70/91/95/522709195.db2.gz FYLPFEKAGURCLR-JTQLQIEISA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H](NC)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052295449 522807007 /nfs/dbraw/zinc/80/70/07/522807007.db2.gz OQOXDIONPRKPSS-GDLCADMTSA-N 0 3 282.409 2.044 10 0 CEAEHN CC[C@@H](NS(=O)(=O)c1cccc([C@@H](C)N)c1)C(C)C ZINC000049147325 522904215 /nfs/dbraw/zinc/90/42/15/522904215.db2.gz FHLFUJWLOCUYAI-BXUZGUMPSA-N 0 3 284.425 2.419 10 0 CEAEHN CC[C@@H](N[C@@H](C)c1cccc(Br)c1)C(N)=O ZINC000061676813 522914056 /nfs/dbraw/zinc/91/40/56/522914056.db2.gz LIEPTAIIHDREQJ-GZMMTYOYSA-N 0 3 285.185 2.364 10 0 CEAEHN CC[C@H]1CN(c2ncc(CNC(C)C)s2)CCO1 ZINC000054903602 523308271 /nfs/dbraw/zinc/30/82/71/523308271.db2.gz KBJMKCFUNQQCJH-NSHDSACASA-N 0 3 269.414 2.256 10 0 CEAEHN CCn1cc(CN2C[C@@H](C)NC[C@@H]2c2ccccc2)cn1 ZINC000068699041 523376912 /nfs/dbraw/zinc/37/69/12/523376912.db2.gz IUXQODUWGYKFMD-RHSMWYFYSA-N 0 3 284.407 2.438 10 0 CEAEHN CC[C@@H]1COCCN1c1ccccc1CNCCOC ZINC000062736343 523501975 /nfs/dbraw/zinc/50/19/75/523501975.db2.gz FHRRJSSMQZUMPX-OAHLLOKOSA-N 0 3 278.396 2.038 10 0 CEAEHN COc1ccc(Br)cc1NC(=O)CNC1CC1 ZINC000049569891 523505425 /nfs/dbraw/zinc/50/54/25/523505425.db2.gz AXVXILYHGICXPP-UHFFFAOYSA-N 0 3 299.168 2.148 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1Cc1nc(NN)ccc1Cl ZINC000061638559 523517812 /nfs/dbraw/zinc/51/78/12/523517812.db2.gz JBHFJOIZMIDCKR-NXEZZACHSA-N 0 3 284.791 2.020 10 0 CEAEHN CN1C(=O)CCC[C@H](N)[C@H]1c1c(F)cccc1Cl ZINC000070292073 523681926 /nfs/dbraw/zinc/68/19/26/523681926.db2.gz LYGDCMLVYBVTGJ-GWCFXTLKSA-N 0 3 270.735 2.490 10 0 CEAEHN COCCN(Cc1ccoc1CNC(C)C)C1CC1 ZINC000052542434 523771040 /nfs/dbraw/zinc/77/10/40/523771040.db2.gz KNLRLFQNTGAERM-UHFFFAOYSA-N 0 3 266.385 2.388 10 0 CEAEHN CN1CCC(Oc2ccc(C(N)=S)cc2Cl)CC1 ZINC000062796467 523783554 /nfs/dbraw/zinc/78/35/54/523783554.db2.gz VSDPRGYGAYGPGZ-UHFFFAOYSA-N 0 3 284.812 2.447 10 0 CEAEHN CN1CCCC[C@@H]1CNC(=O)c1cccc2c1CCCN2 ZINC000061412502 523796436 /nfs/dbraw/zinc/79/64/36/523796436.db2.gz LOUDOFMKNXTJGC-CYBMUJFWSA-N 0 3 287.407 2.259 10 0 CEAEHN CN1CCCN(c2nnc(Cl)c3ccccc32)CC1 ZINC000050529076 523813623 /nfs/dbraw/zinc/81/36/23/523813623.db2.gz VYSNHKDXSYBRTI-UHFFFAOYSA-N 0 3 276.771 2.425 10 0 CEAEHN CN1CCC[C@@H](Nc2ccc(Cl)cc2C(N)=S)C1 ZINC000052858461 523817138 /nfs/dbraw/zinc/81/71/38/523817138.db2.gz ASSLCIKYJOEULE-SNVBAGLBSA-N 0 3 283.828 2.480 10 0 CEAEHN CN1CCN(Cc2c3ccccc3sc2CN)CC1 ZINC000052379420 523909381 /nfs/dbraw/zinc/90/93/81/523909381.db2.gz HGMOFWRJSOCZEV-UHFFFAOYSA-N 0 3 275.421 2.107 10 0 CEAEHN COCCNCc1cc(Cl)ccc1OCCOC ZINC000062730992 523948719 /nfs/dbraw/zinc/94/87/19/523948719.db2.gz FMZVXXJEIUUWRC-UHFFFAOYSA-N 0 3 273.760 2.101 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2cc(CO)ccc2OC)CC1 ZINC000055069531 523956977 /nfs/dbraw/zinc/95/69/77/523956977.db2.gz DZBUCHVXXSBZAL-AWEZNQCLSA-N 0 3 292.423 2.104 10 0 CEAEHN CCc1ccc(OC[C@@](NC2CC2)(C(N)=O)C2CC2)cc1 ZINC000069197149 524006948 /nfs/dbraw/zinc/00/69/48/524006948.db2.gz XZMMZIRIMXGVMS-KRWDZBQOSA-N 0 3 288.391 2.014 10 0 CEAEHN CNC(=O)CCCOc1ccc2c(c1)OC(C)(C)C[C@H]2N ZINC000068816619 524065546 /nfs/dbraw/zinc/06/55/46/524065546.db2.gz YUVATMCMDPLVJL-CYBMUJFWSA-N 0 3 292.379 2.153 10 0 CEAEHN Cc1ccc(C)c(CC(=O)N2[C@H](C)CNC[C@@H]2C)c1 ZINC000069133228 524091633 /nfs/dbraw/zinc/09/16/33/524091633.db2.gz UHEPBNCXWNCHMU-OKILXGFUSA-N 0 3 260.381 2.055 10 0 CEAEHN COc1ccc(Cc2ncc([C@@H](C)N)c(C)n2)cc1 ZINC000054962644 524166598 /nfs/dbraw/zinc/16/65/98/524166598.db2.gz GSYDCRBGWJDPAX-SNVBAGLBSA-N 0 3 257.337 2.404 10 0 CEAEHN Cc1cc(C)c(NS(=O)(=O)CCNC(C)C)c(C)c1 ZINC000049632336 524307143 /nfs/dbraw/zinc/30/71/43/524307143.db2.gz XFMDPYDTRZZWQN-UHFFFAOYSA-N 0 3 284.425 2.352 10 0 CEAEHN C[C@H](CN1CCCC1)N[C@H](C)C(=O)Nc1ccccc1 ZINC000049180490 524319055 /nfs/dbraw/zinc/31/90/55/524319055.db2.gz BGFWAGGRYGTDNR-ZIAGYGMSSA-N 0 3 275.396 2.088 10 0 CEAEHN COc1ccccc1C(=O)Nc1ccccc1CN ZINC000070163126 524361447 /nfs/dbraw/zinc/36/14/47/524361447.db2.gz YAYZXKPSJKZQTJ-UHFFFAOYSA-N 0 3 256.305 2.406 10 0 CEAEHN C[C@H]1CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C[C@@H]1C ZINC000068584800 524419940 /nfs/dbraw/zinc/41/99/40/524419940.db2.gz LVFPHBVDRCMOTR-DUPGQFARSA-N 0 3 290.407 2.203 10 0 CEAEHN COc1ccccc1Cc1nc(C)c(CN)c(C)n1 ZINC000054836798 524515723 /nfs/dbraw/zinc/51/57/23/524515723.db2.gz NMSDFIYQLLTNNV-UHFFFAOYSA-N 0 3 257.337 2.152 10 0 CEAEHN COc1ccccc1Cc1ncc([C@H](C)N)c(C)n1 ZINC000054962581 524518876 /nfs/dbraw/zinc/51/88/76/524518876.db2.gz JDRZNETWFGJDBL-JTQLQIEISA-N 0 3 257.337 2.404 10 0 CEAEHN C[C@@H](CN1CCCC1)NCC(=O)Nc1ccc(Cl)cc1 ZINC000049180340 524592319 /nfs/dbraw/zinc/59/23/19/524592319.db2.gz UTLFOGPFULIGQR-LBPRGKRZSA-N 0 3 295.814 2.352 10 0 CEAEHN C[C@@H](CN1CCCC1)N1C(=S)N=NC1C1CC1 ZINC000049184519 524594640 /nfs/dbraw/zinc/59/46/40/524594640.db2.gz XCOGLKVOYDBUOP-VIFPVBQESA-N 0 3 252.387 2.101 10 0 CEAEHN COc1ccc(NC(=O)[C@H]2CCC[C@@H](C)N2)c(C)c1 ZINC000061568485 524614795 /nfs/dbraw/zinc/61/47/95/524614795.db2.gz JSVFIFFPRGZLOT-BXUZGUMPSA-N 0 3 262.353 2.473 10 0 CEAEHN C[C@H](C[C@](C)(N)C(N)=O)Oc1cccc(C(C)(C)C)c1 ZINC000068657526 524653688 /nfs/dbraw/zinc/65/36/88/524653688.db2.gz RMABWROKANZSQE-BZNIZROVSA-N 0 3 278.396 2.344 10 0 CEAEHN COc1ccccc1S(=O)(=O)Cc1ccc(CN)cc1 ZINC000068609430 524700614 /nfs/dbraw/zinc/70/06/14/524700614.db2.gz VCDCEKAALWASII-UHFFFAOYSA-N 0 3 291.372 2.128 10 0 CEAEHN Cc1cccc(OC[C@](NC(C)C)(C(N)=O)C2CC2)c1 ZINC000069197418 524764919 /nfs/dbraw/zinc/76/49/19/524764919.db2.gz GVXLFPPXFGQFAG-MRXNPFEDSA-N 0 3 276.380 2.006 10 0 CEAEHN Cc1cccc(SC[C@@](NC2CC2)(C(N)=O)C2CC2)c1 ZINC000069188613 524810170 /nfs/dbraw/zinc/81/01/70/524810170.db2.gz QSFZOPPCCOULFE-INIZCTEOSA-N 0 3 290.432 2.473 10 0 CEAEHN C[C@@H](C[C@@](C)(N)C(N)=O)Oc1ccc2ccccc2c1 ZINC000068656911 524853752 /nfs/dbraw/zinc/85/37/52/524853752.db2.gz YOTMZEBPOUSCHR-MEDUHNTESA-N 0 3 272.348 2.200 10 0 CEAEHN C[C@@H](C[C@](C)([NH2+]C1CC1)C(=O)[O-])N1CCCC(C)(C)C1 ZINC000068647790 524862215 /nfs/dbraw/zinc/86/22/15/524862215.db2.gz HHMDSXLAGXMBSB-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@@H+]1CCCC(C)(C)C1 ZINC000068647790 524862227 /nfs/dbraw/zinc/86/22/27/524862227.db2.gz HHMDSXLAGXMBSB-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@H+]1CCCC(C)(C)C1 ZINC000068647790 524862238 /nfs/dbraw/zinc/86/22/38/524862238.db2.gz HHMDSXLAGXMBSB-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H](N)c1ccc(F)cc1OCC(=O)NC(C)(C)C ZINC000062745859 525026690 /nfs/dbraw/zinc/02/66/90/525026690.db2.gz KXEJVMVXXHQGTB-SECBINFHSA-N 0 3 268.332 2.139 10 0 CEAEHN C[C@@H](N)c1cnc(N2CCN(C(C)(C)C)CC2)s1 ZINC000054898205 525032360 /nfs/dbraw/zinc/03/23/60/525032360.db2.gz JEPFYVHQKLUWDZ-SNVBAGLBSA-N 0 3 268.430 2.083 10 0 CEAEHN CS(=O)(=O)CCNCCSc1ccc(Cl)cc1 ZINC000052684613 525124572 /nfs/dbraw/zinc/12/45/72/525124572.db2.gz WOTHZVCXGFLTKD-UHFFFAOYSA-N 0 3 293.841 2.066 10 0 CEAEHN Cc1ccc(NS(=O)(=O)C[C@@H]2CCCCN2)c(C)c1 ZINC000049630503 525292936 /nfs/dbraw/zinc/29/29/36/525292936.db2.gz VOHOJMHZBIFBJR-ZDUSSCGKSA-N 0 3 282.409 2.187 10 0 CEAEHN Cc1ccccc1SCC[C@@H](NC(C)C)C(N)=O ZINC000062600802 525340752 /nfs/dbraw/zinc/34/07/52/525340752.db2.gz GFZBGKBCXALJSM-GFCCVEGCSA-N 0 3 266.410 2.329 10 0 CEAEHN COc1ccc([C@H](N)C[C@@H]2CCCO2)c(OC)c1 ZINC000055232819 525364578 /nfs/dbraw/zinc/36/45/78/525364578.db2.gz BYOBOQMKNBESOR-WCQYABFASA-N 0 3 251.326 2.273 10 0 CEAEHN Cc1ccc(OC[C@@](NC(C)C)(C(N)=O)C2CC2)c(C)c1 ZINC000069196989 525433928 /nfs/dbraw/zinc/43/39/28/525433928.db2.gz GHMVSZJNLDNOQK-KRWDZBQOSA-N 0 3 290.407 2.314 10 0 CEAEHN Cc1ccc(O[C@H](C)C[C@@](C)(NC(C)C)C(N)=O)cc1 ZINC000068653544 525470819 /nfs/dbraw/zinc/47/08/19/525470819.db2.gz NVUAGEMFTDEQGO-CZUORRHYSA-N 0 3 278.396 2.394 10 0 CEAEHN CSCCCNCC(=O)Nc1ccccc1C ZINC000069447139 525476678 /nfs/dbraw/zinc/47/66/78/525476678.db2.gz WYOTUUSAROJFJN-UHFFFAOYSA-N 0 3 252.383 2.276 10 0 CEAEHN Cc1c(CNC2CC2)cnn1[C@@H]1CCCCC[C@H]1O ZINC000054600509 525721934 /nfs/dbraw/zinc/72/19/34/525721934.db2.gz KARPVDIJKPVQDU-HUUCEWRRSA-N 0 3 263.385 2.310 10 0 CEAEHN Cc1c(Cl)cccc1-n1nnnc1CNCC(C)C ZINC000054744820 525750943 /nfs/dbraw/zinc/75/09/43/525750943.db2.gz DCVXVIIWQBXPIK-UHFFFAOYSA-N 0 3 279.775 2.370 10 0 CEAEHN COc1cccc(CN[C@H](CN(C)C)C(C)C)c1OC ZINC000049196493 526036526 /nfs/dbraw/zinc/03/65/26/526036526.db2.gz YBVKGFYSKDLFKC-CQSZACIVSA-N 0 3 280.412 2.380 10 0 CEAEHN Cc1ccc(C(=O)N2[C@H](C)CNC[C@@H]2C)cc1Cl ZINC000069133346 526141443 /nfs/dbraw/zinc/14/14/43/526141443.db2.gz GNTRSQIIDCMIDA-PHIMTYICSA-N 0 3 266.772 2.471 10 0 CEAEHN O=C([O-])[C@@H]1CCC[C@H]1[NH+]1CCC(N2CCCCC2)CC1 ZINC000062753257 526276683 /nfs/dbraw/zinc/27/66/83/526276683.db2.gz OVEAGUBHBIESJN-HUUCEWRRSA-N 0 3 280.412 2.190 10 0 CEAEHN O=C([O-])[C@@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000062753257 526276688 /nfs/dbraw/zinc/27/66/88/526276688.db2.gz OVEAGUBHBIESJN-HUUCEWRRSA-N 0 3 280.412 2.190 10 0 CEAEHN Cc1nn([C@@H](CN)c2cccnc2)c(C)c1Br ZINC000050589170 526302692 /nfs/dbraw/zinc/30/26/92/526302692.db2.gz HTJYWMMCNIHNHT-NSHDSACASA-N 0 3 295.184 2.206 10 0 CEAEHN Cc1nn([C@H]2CCCC[C@@H]2O)c(C)c1CNC1CC1 ZINC000054599994 526307015 /nfs/dbraw/zinc/30/70/15/526307015.db2.gz SFAZYBFQDHUMTE-GJZGRUSLSA-N 0 3 263.385 2.228 10 0 CEAEHN c1ccc2c(c1)CCN2c1ccc(CNC2CC2)nn1 ZINC000051435211 526505000 /nfs/dbraw/zinc/50/50/00/526505000.db2.gz KGBLWDMVUDHSBS-UHFFFAOYSA-N 0 3 266.348 2.423 10 0 CEAEHN N=C(N)c1ncccc1COCCc1cccs1 ZINC000061658840 526825971 /nfs/dbraw/zinc/82/59/71/526825971.db2.gz IZTVSEUWWQFKCW-UHFFFAOYSA-N 0 3 261.350 2.186 10 0 CEAEHN O=C(CNC1CCCC1)Nc1nc2c(s1)CCCC2 ZINC000049559555 526876403 /nfs/dbraw/zinc/87/64/03/526876403.db2.gz NDQBQDDYHMOZRB-UHFFFAOYSA-N 0 3 279.409 2.493 10 0 CEAEHN Cc1nc(CNC[C@H]2Cc3ccccc3CN2)cs1 ZINC000049539063 526887852 /nfs/dbraw/zinc/88/78/52/526887852.db2.gz NHXZXBWQRYXTKI-CQSZACIVSA-N 0 3 273.405 2.256 10 0 CEAEHN Clc1cnn(Cc2ccoc2CNC2CC2)c1 ZINC000052577173 527001306 /nfs/dbraw/zinc/00/13/06/527001306.db2.gz QISQEEDOBUGHOK-UHFFFAOYSA-N 0 3 251.717 2.430 10 0 CEAEHN Cn1c2ccc([C@H](N)c3ccsc3)cc2oc1=O ZINC000051361855 527106336 /nfs/dbraw/zinc/10/63/36/527106336.db2.gz CDKBEGBXHJSRNL-LBPRGKRZSA-N 0 3 260.318 2.241 10 0 CEAEHN NC(=S)C[C@H](c1ccccc1)N1CCN(C2CC2)CC1 ZINC000055025076 527108656 /nfs/dbraw/zinc/10/86/56/527108656.db2.gz LRVQCDLVONCPSE-OAHLLOKOSA-N 0 3 289.448 2.184 10 0 CEAEHN NC(=S)c1c(Cl)cccc1N[C@@H]1CN2CCC1CC2 ZINC000052904106 527113195 /nfs/dbraw/zinc/11/31/95/527113195.db2.gz VECCBBUOLKLPFJ-GFCCVEGCSA-N 0 3 295.839 2.480 10 0 CEAEHN O=Cc1cc(F)ccc1N1CC[C@H](N2CCCC2)C1 ZINC000062980953 527144992 /nfs/dbraw/zinc/14/49/92/527144992.db2.gz WPMBABFMUJWMIM-AWEZNQCLSA-N 0 3 262.328 2.313 10 0 CEAEHN O=S(=O)(C[C@@H]1CCCC[NH2+]1)[N-]c1cccc(Cl)c1 ZINC000049630810 527181130 /nfs/dbraw/zinc/18/11/30/527181130.db2.gz TYULMJYBFOADBP-LBPRGKRZSA-N 0 3 288.800 2.224 10 0 CEAEHN NC[C@@H](C(=O)N1CCOc2ccccc21)c1ccccc1 ZINC000061612681 527200057 /nfs/dbraw/zinc/20/00/57/527200057.db2.gz KJCIQJCVAXAMOO-CQSZACIVSA-N 0 3 282.343 2.155 10 0 CEAEHN NCc1cnn(CCOc2ccc(Br)cc2)c1 ZINC000054716812 527263650 /nfs/dbraw/zinc/26/36/50/527263650.db2.gz NRQVNXAHBYOAJE-UHFFFAOYSA-N 0 3 296.168 2.183 10 0 CEAEHN N[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1COCCO1 ZINC000055299134 527337958 /nfs/dbraw/zinc/33/79/58/527337958.db2.gz RCNUUOVCVIFMTP-QWRGUYRKSA-N 0 3 262.136 2.409 10 0 CEAEHN N[C@@H]1CCCc2nc(N3CCN(CC4CC4)CC3)sc21 ZINC000054898779 527362263 /nfs/dbraw/zinc/36/22/63/527362263.db2.gz CRAQVAXNHXPFOG-GFCCVEGCSA-N 0 3 292.452 2.011 10 0 CEAEHN N[C@@H]1CCCc2nc(N3CCCSCC3)sc21 ZINC000054898648 527363225 /nfs/dbraw/zinc/36/32/25/527363225.db2.gz NDOCBXKHBSWSBM-SECBINFHSA-N 0 3 269.439 2.423 10 0 CEAEHN N[C@H](Cc1cccc(Br)c1)c1cncnc1 ZINC000052887040 527388010 /nfs/dbraw/zinc/38/80/10/527388010.db2.gz BNUNIUQAJAESTP-GFCCVEGCSA-N 0 3 278.153 2.482 10 0 CEAEHN N[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000052886930 527390976 /nfs/dbraw/zinc/39/09/76/527390976.db2.gz OGROMRUDUAMFCL-LLVKDONJSA-N 0 3 264.126 2.287 10 0 CEAEHN Nc1cc(C(=O)NCCN2CCCCC2)ccc1Cl ZINC000049574375 527445636 /nfs/dbraw/zinc/44/56/36/527445636.db2.gz BMXDHAUWAXWHGB-UHFFFAOYSA-N 0 3 281.787 2.138 10 0 CEAEHN Nc1nc2ccccc2cc1CN1CCCC[C@H]1CO ZINC000050817063 527560887 /nfs/dbraw/zinc/56/08/87/527560887.db2.gz FSYNZZVKAIBOBU-AWEZNQCLSA-N 0 3 271.364 2.164 10 0 CEAEHN OC[C@H]1CCCC[C@@H]1NCc1cncc(Br)c1 ZINC000183716159 527615940 /nfs/dbraw/zinc/61/59/40/527615940.db2.gz BGVCPNGJNJRQDA-YPMHNXCESA-N 0 3 299.212 2.485 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCS[C@H](C(C)C)C2)C1 ZINC000174234931 529054163 /nfs/dbraw/zinc/05/41/63/529054163.db2.gz HTLUWYBDFSBCPI-KGLIPLIRSA-N 0 3 299.484 2.254 10 0 CEAEHN CC(C)CN1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407658 535106256 /nfs/dbraw/zinc/10/62/56/535106256.db2.gz YYFITGUEOQACCD-UHFFFAOYSA-N 0 3 295.427 2.238 10 0 CEAEHN CC[C@@H]1CNCCN1c1nnc(C)c2ccccc21 ZINC000110678447 535825262 /nfs/dbraw/zinc/82/52/62/535825262.db2.gz XDTWDTPCJGAEGL-GFCCVEGCSA-N 0 3 256.353 2.126 10 0 CEAEHN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000262115136 536672512 /nfs/dbraw/zinc/67/25/12/536672512.db2.gz IHFVMMRBAJSGNI-SWHYSGLUSA-N 0 3 282.359 2.001 10 0 CEAEHN CC(C)c1cncc(SC[C@@H]2CNCCO2)c1 ZINC000757207543 574512329 /nfs/dbraw/zinc/51/23/29/574512329.db2.gz BWSGHOXJLXMGTN-LBPRGKRZSA-N 0 3 252.383 2.286 10 0 CEAEHN COc1ccc([C@@H](CN)NC(=O)OC(C)(C)C)c(OC)c1 ZINC000019414496 567837486 /nfs/dbraw/zinc/83/74/86/567837486.db2.gz ZGJAIJXWRLTOKZ-GFCCVEGCSA-N 0 3 296.367 2.228 10 0 CEAEHN CC(C)[C@H](NCc1cccc(C(F)(F)F)c1)C(N)=O ZINC000107322921 567849843 /nfs/dbraw/zinc/84/98/43/567849843.db2.gz ARJRZFANZLHILD-NSHDSACASA-N 0 3 274.286 2.305 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C\c2cccs2)C1 ZINC000255054764 622915409 /nfs/dbraw/zinc/91/54/09/622915409.db2.gz ODOBOUKXHLCNSQ-KRZKBDHCSA-N 0 3 264.394 2.362 10 0 CEAEHN CCN1CCC[C@@H]([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000232422429 628947796 /nfs/dbraw/zinc/94/77/96/628947796.db2.gz NJQYRYUJPDKMNP-GFCCVEGCSA-N 0 3 252.333 2.105 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000237005726 629148872 /nfs/dbraw/zinc/14/88/72/629148872.db2.gz UXSFVEXHFZWPMB-NOZJJQNGSA-N 0 3 278.352 2.094 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2cc(F)ccc2C1 ZINC000237054355 629180801 /nfs/dbraw/zinc/18/08/01/629180801.db2.gz ZZRSJJUIHJIDQH-IINYFYTJSA-N 0 3 264.344 2.084 10 0 CEAEHN Nc1ccnc(-c2ccc(C(F)(F)F)nc2)c1N ZINC000757571820 631913449 /nfs/dbraw/zinc/91/34/49/631913449.db2.gz MXYWWXWFCQEPKP-UHFFFAOYSA-N 0 3 254.215 2.327 10 0 CEAEHN CN1CCN(C[C@H](O)c2cc3ccccc3o2)CC1(C)C ZINC000110736355 632249822 /nfs/dbraw/zinc/24/98/22/632249822.db2.gz NFMSPXPCGRHBPG-AWEZNQCLSA-N 0 3 288.391 2.492 10 0 CEAEHN C[C@@H]1[C@@H](NCc2c[nH]cn2)CCCN1C(=O)OC(C)(C)C ZINC000230943663 639806299 /nfs/dbraw/zinc/80/62/99/639806299.db2.gz SKJJRYQRXJSVTF-YPMHNXCESA-N 0 3 294.399 2.287 10 0 CEAEHN C[C@@H](NC[C@@H]1COC(C)(C)O1)c1cncc(F)c1 ZINC000231618939 639868933 /nfs/dbraw/zinc/86/89/33/639868933.db2.gz OJAVYRNYZHLSDQ-BXKDBHETSA-N 0 3 254.305 2.023 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)OCc2ccccc2)C1 ZINC000181689732 641583996 /nfs/dbraw/zinc/58/39/96/641583996.db2.gz AWHRGXPVJXFXQI-HNNXBMFYSA-N 0 3 291.395 2.244 10 0 CEAEHN CN(C[C@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000113315211 644332749 /nfs/dbraw/zinc/33/27/49/644332749.db2.gz FUIHTMGBYKDELT-OLZOCXBDSA-N 0 3 289.297 2.460 10 0 CEAEHN NC[C@@H](O[C@@H]1CCOC1)c1cc(Br)cs1 ZINC000082453054 178031887 /nfs/dbraw/zinc/03/18/87/178031887.db2.gz OLJGPGRKRSTFKY-RKDXNWHRSA-N 0 3 292.198 2.316 10 0 CEAEHN CS(=O)(=O)CCS[C@H](CN)c1ccc(Cl)s1 ZINC000082516888 178078658 /nfs/dbraw/zinc/07/86/58/178078658.db2.gz AJJXJIDLECGHRI-MRVPVSSYSA-N 0 3 299.870 2.179 10 0 CEAEHN NCc1nccnc1-c1cc(Br)cs1 ZINC000082575250 178116469 /nfs/dbraw/zinc/11/64/69/178116469.db2.gz MXVHCRSIOGDTCR-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN C[C@H](CN1CCCC1)Nc1ncc(Br)cn1 ZINC000082661970 178150254 /nfs/dbraw/zinc/15/02/54/178150254.db2.gz KOBILMBYVLUGFZ-SECBINFHSA-N 0 3 285.189 2.135 10 0 CEAEHN OC[C@@H]1[C@H](NCc2ccccc2)CCN1Cc1ccccc1 ZINC000096028678 185067631 /nfs/dbraw/zinc/06/76/31/185067631.db2.gz DYOKZZGRVMNKAH-RTBURBONSA-N 0 3 296.414 2.412 10 0 CEAEHN C[C@@H](NCCc1cccs1)C(=O)N1CCCCC1 ZINC000034936690 361797867 /nfs/dbraw/zinc/79/78/67/361797867.db2.gz SYNXOXGLNLYEEW-GFCCVEGCSA-N 0 3 266.410 2.281 10 0 CEAEHN NCc1cc(Br)ccc1OC[C@H]1CCCO1 ZINC000034957933 361799692 /nfs/dbraw/zinc/79/96/92/361799692.db2.gz XZUHBGMLOBVERL-LLVKDONJSA-N 0 3 286.169 2.466 10 0 CEAEHN [O-]c1ccc(Cl)cc1/C=N/CC1CC[NH2+]CC1 ZINC000034436043 361790546 /nfs/dbraw/zinc/79/05/46/361790546.db2.gz HOZLRRKDEXGYNW-CXUHLZMHSA-N 0 3 252.745 2.464 10 0 CEAEHN CCC[C@H](N)C(=O)NCC[C@H](OCC)C1CCCC1 ZINC000121717353 365606279 /nfs/dbraw/zinc/60/62/79/365606279.db2.gz PGTLDFGTPNKIGX-KBPBESRZSA-N 0 3 270.417 2.215 10 0 CEAEHN Cc1nnc([C@@H]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3O2)[n-]1 ZINC000096070502 185085688 /nfs/dbraw/zinc/08/56/88/185085688.db2.gz FMFQLSUUVNYQOK-WCFLWFBJSA-N 0 3 290.392 2.137 10 0 CEAEHN Cc1nnc([C@@H]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3O2)[n-]1 ZINC000096070502 185085690 /nfs/dbraw/zinc/08/56/90/185085690.db2.gz FMFQLSUUVNYQOK-WCFLWFBJSA-N 0 3 290.392 2.137 10 0 CEAEHN Cc1nnc([C@@H]2C[C@H]3CN(Cc4cccs4)C[C@H]3O2)[nH]1 ZINC000096070502 185085691 /nfs/dbraw/zinc/08/56/91/185085691.db2.gz FMFQLSUUVNYQOK-WCFLWFBJSA-N 0 3 290.392 2.137 10 0 CEAEHN C[C@H]1CNC[C@H](c2ccccc2Br)O1 ZINC000036673169 361850634 /nfs/dbraw/zinc/85/06/34/361850634.db2.gz CQFGVXSNTPGXLO-GZMMTYOYSA-N 0 3 256.143 2.499 10 0 CEAEHN Cc1nccn1CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000125424934 187184002 /nfs/dbraw/zinc/18/40/02/187184002.db2.gz IGBIWSZPXMZZRB-STQMWFEESA-N 0 3 251.374 2.081 10 0 CEAEHN Cn1cnc([C@@H](N)Cc2ccc(Br)cc2)c1 ZINC000096978545 185145638 /nfs/dbraw/zinc/14/56/38/185145638.db2.gz BARBTQLWNKITJO-NSHDSACASA-N 0 3 280.169 2.425 10 0 CEAEHN N[C@@H](c1cncn1Cc1cccs1)[C@@H]1CCOC1 ZINC000097013765 185151625 /nfs/dbraw/zinc/15/16/25/185151625.db2.gz BPFRUYREPCJIJX-ZWNOBZJWSA-N 0 3 263.366 2.029 10 0 CEAEHN CC(C)OCCCNCc1cc2ccccc2n(C)c1=O ZINC000039287308 361987760 /nfs/dbraw/zinc/98/77/60/361987760.db2.gz QQOLOPGEOCJNMC-UHFFFAOYSA-N 0 3 288.391 2.443 10 0 CEAEHN Cc1ccc2c(c1Br)NC[C@@]21C[C@H]1N ZINC000725246984 539191950 /nfs/dbraw/zinc/19/19/50/539191950.db2.gz CMFVQWWCTGCQRN-KCJUWKMLSA-N 0 3 253.143 2.152 10 0 CEAEHN Cc1ccc2c(c1Br)[C@]1(C[C@H]1N)CN2 ZINC000725247466 539192511 /nfs/dbraw/zinc/19/25/11/539192511.db2.gz NJSSIKHLCONILP-LDYMZIIASA-N 0 3 253.143 2.152 10 0 CEAEHN CCN1C[C@H](C)[C@H](NCc2ncc(Cl)s2)C1 ZINC000309667618 539272837 /nfs/dbraw/zinc/27/28/37/539272837.db2.gz UVIMGSGGFJVPMT-DTWKUNHWSA-N 0 3 259.806 2.226 10 0 CEAEHN CC(C)[C@@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007651 343425129 /nfs/dbraw/zinc/42/51/29/343425129.db2.gz FDENTWSHIPLFMJ-QPUJVOFHSA-N 0 3 256.296 2.125 10 0 CEAEHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])ccc3F)CC[C@H]21 ZINC000295026391 199306594 /nfs/dbraw/zinc/30/65/94/199306594.db2.gz SAKNXDWHEZEYNV-XHDPSFHLSA-N 0 3 292.354 2.088 10 0 CEAEHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])ccc3F)CC[C@H]21 ZINC000295026391 199306595 /nfs/dbraw/zinc/30/65/95/199306595.db2.gz SAKNXDWHEZEYNV-XHDPSFHLSA-N 0 3 292.354 2.088 10 0 CEAEHN Cc1ccc(CN2CCO[C@H](CN(C)C)C2)c(C)c1 ZINC000128133321 187353568 /nfs/dbraw/zinc/35/35/68/187353568.db2.gz RFDINGQYHPYLOF-MRXNPFEDSA-N 0 3 262.397 2.066 10 0 CEAEHN CCCOc1cccc(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000128194057 187356823 /nfs/dbraw/zinc/35/68/23/187356823.db2.gz OAPJWRVDSPEZSC-QGZVFWFLSA-N 0 3 292.423 2.238 10 0 CEAEHN Brc1cccc2sc(N3CCNCC3)nc21 ZINC000084816570 344091089 /nfs/dbraw/zinc/09/10/89/344091089.db2.gz RMFNTPKWMXUWRB-UHFFFAOYSA-N 0 3 298.209 2.468 10 0 CEAEHN CN[C@@](C)(CO)c1cc(Br)ccc1F ZINC000132177500 344362039 /nfs/dbraw/zinc/36/20/39/344362039.db2.gz XGJTVRGZLHGHGE-JTQLQIEISA-N 0 3 262.122 2.015 10 0 CEAEHN Cc1occc1CN(C)C(=O)[C@@]1(C)CCCCN1 ZINC000133372563 344368480 /nfs/dbraw/zinc/36/84/80/344368480.db2.gz JPRTYSKWLYIYDM-CQSZACIVSA-N 0 3 250.342 2.079 10 0 CEAEHN Cc1nc2cc(NC(=O)[C@]3(C)CCCCN3)ccc2[nH]1 ZINC000136168750 344384135 /nfs/dbraw/zinc/38/41/35/344384135.db2.gz WNXYEUOCUFTETR-HNNXBMFYSA-N 0 3 272.352 2.342 10 0 CEAEHN COc1c(CNCC2(O)CCC(C)(C)CC2)c(C)nn1C ZINC000158336758 344450817 /nfs/dbraw/zinc/45/08/17/344450817.db2.gz UHMLTGXVXOJWET-UHFFFAOYSA-N 0 3 295.427 2.158 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@H](NC2CC2)[C@@H](F)C1 ZINC000223650916 344543209 /nfs/dbraw/zinc/54/32/09/344543209.db2.gz SVPOAIXSYHYJCJ-WDEREUQCSA-N 0 3 258.337 2.086 10 0 CEAEHN CCc1ccc([C@@H](C)N[C@@H]2CCCNC2=O)s1 ZINC000050395473 362419645 /nfs/dbraw/zinc/41/96/45/362419645.db2.gz VWEJQXMMFYJHAE-MWLCHTKSSA-N 0 3 252.383 2.240 10 0 CEAEHN CC(C)CN(CC(C)C)C(=O)CN1CCC[C@H]1CCCO ZINC000052761938 362474043 /nfs/dbraw/zinc/47/40/43/362474043.db2.gz MOUDVGRMDVHYLA-INIZCTEOSA-N 0 3 298.471 2.364 10 0 CEAEHN CN(C(=O)CN1CCC[C@@H]1CCCO)C1CCCCC1 ZINC000052762715 362474123 /nfs/dbraw/zinc/47/41/23/362474123.db2.gz ZMZMYAPDZDBGKB-OAHLLOKOSA-N 0 3 282.428 2.014 10 0 CEAEHN NCc1cc(Br)cnc1Br ZINC000238630245 344606946 /nfs/dbraw/zinc/60/69/46/344606946.db2.gz DBDWCBMIJPUFTR-UHFFFAOYSA-N 0 3 265.936 2.065 10 0 CEAEHN NCc1cc(Br)nc(OC(F)(F)F)c1 ZINC000238631337 344607208 /nfs/dbraw/zinc/60/72/08/344607208.db2.gz YFLUUQZATWUTTQ-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN C[C@H]1[C@@H](Nc2nccnc2N)CCN1Cc1ccccc1 ZINC000306729223 344716870 /nfs/dbraw/zinc/71/68/70/344716870.db2.gz OHDMMADNXJBAQU-JSGCOSHPSA-N 0 3 283.379 2.134 10 0 CEAEHN COC(C)(C)CCN1C[C@H]2CCCCN2C[C@H]1C ZINC000336784334 365802074 /nfs/dbraw/zinc/80/20/74/365802074.db2.gz OZLZUHTTZAXXQF-ZIAGYGMSSA-N 0 3 254.418 2.360 10 0 CEAEHN OCCN1CCC[C@@H](NCc2c(F)cccc2Cl)C1 ZINC000394953079 344843773 /nfs/dbraw/zinc/84/37/73/344843773.db2.gz JFUAYJKXJMTQNN-LLVKDONJSA-N 0 3 286.778 2.025 10 0 CEAEHN CCCc1ccc([C@H](N)C[S@](=O)CCOC)cc1 ZINC000084035673 178775682 /nfs/dbraw/zinc/77/56/82/178775682.db2.gz LNMLOSIVZHWQGW-KDOFPFPSSA-N 0 3 269.410 2.034 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000054072983 362509044 /nfs/dbraw/zinc/50/90/44/362509044.db2.gz SXNRJLVIKKHFQN-VXGBXAGGSA-N 0 3 264.369 2.259 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000054074985 362510702 /nfs/dbraw/zinc/51/07/02/362510702.db2.gz YHFTVVHEYHPWNQ-ZJUUUORDSA-N 0 3 254.761 2.467 10 0 CEAEHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000057879212 362599286 /nfs/dbraw/zinc/59/92/86/362599286.db2.gz ZFHYFVUEURBNSW-RYUDHWBXSA-N 0 3 291.395 2.305 10 0 CEAEHN CCc1cc([C@@H](Cc2nc(C)cs2)NC)n(C)n1 ZINC000097342013 185586943 /nfs/dbraw/zinc/58/69/43/185586943.db2.gz QRRFHSCNJKORIX-LLVKDONJSA-N 0 3 264.398 2.251 10 0 CEAEHN COc1cccc(C[C@H](N)c2cc(C)nnc2C)c1F ZINC000097415504 185599608 /nfs/dbraw/zinc/59/96/08/185599608.db2.gz FAKPIYCSRQOHNY-ZDUSSCGKSA-N 0 3 275.327 2.484 10 0 CEAEHN COc1cccc(OC)c1[C@@H](N)Cc1c(C)nn(C)c1C ZINC000097456174 185609903 /nfs/dbraw/zinc/60/99/03/185609903.db2.gz UBAWNKXLSSDOAC-ZDUSSCGKSA-N 0 3 289.379 2.297 10 0 CEAEHN CCN[C@](CO)(Cn1cc(Cl)cn1)c1ccccc1 ZINC000085263865 178994356 /nfs/dbraw/zinc/99/43/56/178994356.db2.gz CKKZBIZCGHSUEH-AWEZNQCLSA-N 0 3 279.771 2.034 10 0 CEAEHN CCCn1cc([C@@H](NN)C2(N(C)C)CCCCCC2)cn1 ZINC000097591256 185634411 /nfs/dbraw/zinc/63/44/11/185634411.db2.gz DMJACGVSCNOLBA-OAHLLOKOSA-N 0 3 293.459 2.452 10 0 CEAEHN OC[C@@H](N[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000129254213 365839706 /nfs/dbraw/zinc/83/97/06/365839706.db2.gz SOBDTEYBDIPCIA-NWDGAFQWSA-N 0 3 257.786 2.469 10 0 CEAEHN Clc1cc(Cl)c2ncnc(N3CCNCC3)c2c1 ZINC000044960032 282500020 /nfs/dbraw/zinc/50/00/20/282500020.db2.gz ZWRVTHVAILXIHM-UHFFFAOYSA-N 0 3 283.162 2.346 10 0 CEAEHN CN(C)C[C@H](O)Cc1cc(F)ccc1Br ZINC000085794152 179171986 /nfs/dbraw/zinc/17/19/86/179171986.db2.gz SEERQCODAAHLSU-SNVBAGLBSA-N 0 3 276.149 2.053 10 0 CEAEHN Cc1ccccc1NC(=O)CNC[C@H]1CCCC[C@@H]1O ZINC000085985802 179211407 /nfs/dbraw/zinc/21/14/07/179211407.db2.gz OGLNYZGOYOEVNT-HIFRSBDPSA-N 0 3 276.380 2.074 10 0 CEAEHN CCCCc1ccc([C@H](N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000086020039 179218229 /nfs/dbraw/zinc/21/82/29/179218229.db2.gz CNYMYSUPKSPQBD-CABCVRRESA-N 0 3 281.421 2.464 10 0 CEAEHN CCCN[C@@H](c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086022386 179218973 /nfs/dbraw/zinc/21/89/73/179218973.db2.gz HUSPGDURVDVXQR-GXTWGEPZSA-N 0 3 285.409 2.372 10 0 CEAEHN CSCCN1CCN[C@@](C)(c2ccccc2)C1 ZINC000086149789 179240785 /nfs/dbraw/zinc/24/07/85/179240785.db2.gz HSFQAKZFUYCGCY-CQSZACIVSA-N 0 3 250.411 2.170 10 0 CEAEHN CC(=O)N[C@@H]1CCCN([C@H]2C=CCCCCC2)C1 ZINC000606432937 347471305 /nfs/dbraw/zinc/47/13/05/347471305.db2.gz ZDCJPRGLZKASEI-CABCVRRESA-N 0 3 250.386 2.476 10 0 CEAEHN c1csc(CCN2CCN[C@H](c3ccccc3)C2)n1 ZINC000086148915 179239743 /nfs/dbraw/zinc/23/97/43/179239743.db2.gz CPDNCWGYBLWIHJ-AWEZNQCLSA-N 0 3 273.405 2.332 10 0 CEAEHN Cn1cc(N2CC(C)(C)NC[C@H]2c2ccccc2)cn1 ZINC000086218274 179249749 /nfs/dbraw/zinc/24/97/49/179249749.db2.gz HTPLDVUOVVUGDA-HNNXBMFYSA-N 0 3 270.380 2.350 10 0 CEAEHN CCN1C(=O)CC[C@@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317421 179270518 /nfs/dbraw/zinc/27/05/18/179270518.db2.gz AXCRKDGBKBVUJC-WBMJQRKESA-N 0 3 269.348 2.246 10 0 CEAEHN CCN(CCOC)[C@@H](CN)c1cc(Cl)cs1 ZINC000086333293 179273124 /nfs/dbraw/zinc/27/31/24/179273124.db2.gz BRRBSEVQLGJNHG-JTQLQIEISA-N 0 3 262.806 2.370 10 0 CEAEHN CN(C)CCCN(C)c1nc2c(s1)CCCC2=O ZINC000086441853 179293375 /nfs/dbraw/zinc/29/33/75/179293375.db2.gz WXKDCLSJBSTGOE-UHFFFAOYSA-N 0 3 267.398 2.050 10 0 CEAEHN C[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3N)CC(C)(C)O1 ZINC000086443633 179293576 /nfs/dbraw/zinc/29/35/76/179293576.db2.gz XXOZILYBHXVLML-ZJUUUORDSA-N 0 3 281.425 2.483 10 0 CEAEHN CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3NC)CCO1 ZINC000086442760 179293833 /nfs/dbraw/zinc/29/38/33/179293833.db2.gz LSQVPHHKGZFBLE-MNOVXSKESA-N 0 3 281.425 2.355 10 0 CEAEHN CN[C@@H]1CCCc2sc(N(C)C3CCN(C)CC3)nc21 ZINC000086442034 179293930 /nfs/dbraw/zinc/29/39/30/179293930.db2.gz UWCXOPMIVCCYKY-GFCCVEGCSA-N 0 3 294.468 2.270 10 0 CEAEHN CCN(c1nc2c(s1)CCC[C@H]2N)[C@@H](C)COC ZINC000086443238 179294106 /nfs/dbraw/zinc/29/41/06/179294106.db2.gz CBFCUASQBVKKKL-VHSXEESVSA-N 0 3 269.414 2.340 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1n[nH]c2ccccc21 ZINC000086446316 179294644 /nfs/dbraw/zinc/29/46/44/179294644.db2.gz XWWIRKGPNZOBBR-NWDGAFQWSA-N 0 3 286.379 2.166 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)COc1ccccc1 ZINC000086446563 179294694 /nfs/dbraw/zinc/29/46/94/179294694.db2.gz YEAMTKHWNIXAFL-UONOGXRCSA-N 0 3 276.380 2.054 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(C)oc2C)[C@H](CC)CN1 ZINC000086447247 179295376 /nfs/dbraw/zinc/29/53/76/179295376.db2.gz ANTDOWBPJQHMNN-CHWSQXEVSA-N 0 3 264.369 2.499 10 0 CEAEHN CC[C@@H]1CN(C(=O)C[C@H]2C=CCC2)[C@H](CC)CN1 ZINC000086447572 179295583 /nfs/dbraw/zinc/29/55/83/179295583.db2.gz HJXUHJQRDKBKCC-BFHYXJOUSA-N 0 3 250.386 2.332 10 0 CEAEHN N[C@@H]1COC[C@H]1c1nc2ccc(Cl)cc2s1 ZINC000086480055 179300686 /nfs/dbraw/zinc/30/06/86/179300686.db2.gz BGHOINTWAKXFPI-HTQZYQBOSA-N 0 3 254.742 2.391 10 0 CEAEHN CCCc1cc(NN)nc([C@@H]2Cc3ccccc32)n1 ZINC000086490638 179302395 /nfs/dbraw/zinc/30/23/95/179302395.db2.gz LNYNSGUUZULZSJ-CYBMUJFWSA-N 0 3 254.337 2.403 10 0 CEAEHN C[C@@H]1CN(C(=O)c2cc(Cl)cn2C2CC2)[C@@H](C)CN1 ZINC000086467583 179298099 /nfs/dbraw/zinc/29/80/99/179298099.db2.gz RZXBCPNMOZIPMF-ZJUUUORDSA-N 0 3 281.787 2.299 10 0 CEAEHN [NH3+]C[C@@]([O-])(c1cscc1Br)C(F)(F)F ZINC000086557040 179307696 /nfs/dbraw/zinc/30/76/96/179307696.db2.gz ULRDZJIPUGWZSI-ZCFIWIBFSA-N 0 3 290.104 2.219 10 0 CEAEHN NC[C@@](O)(c1cscc1Br)C(F)(F)F ZINC000086557040 179307697 /nfs/dbraw/zinc/30/76/97/179307697.db2.gz ULRDZJIPUGWZSI-ZCFIWIBFSA-N 0 3 290.104 2.219 10 0 CEAEHN COc1ccc([C@H]2[C@@H](CN)OCCN2C(C)C)cc1Cl ZINC000086584987 179309507 /nfs/dbraw/zinc/30/95/07/179309507.db2.gz WCQPLYQIYCRRSX-CABCVRRESA-N 0 3 298.814 2.458 10 0 CEAEHN Cc1ccccc1C[C@H](C)N[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675028 179318720 /nfs/dbraw/zinc/31/87/20/179318720.db2.gz OAAYSWFDZGHUGB-IMJJTQAJSA-N 0 3 295.448 2.481 10 0 CEAEHN CC[C@@](C)(N)c1nnc2ccc(Br)cn21 ZINC000086797990 179336007 /nfs/dbraw/zinc/33/60/07/179336007.db2.gz OAASXETXOQEKBF-SNVBAGLBSA-N 0 3 269.146 2.076 10 0 CEAEHN COC(=O)[C@]1(Nc2ccccc2F)CCCN(C)CC1 ZINC000086833337 179349861 /nfs/dbraw/zinc/34/98/61/179349861.db2.gz NLGQZRDGBZAISH-HNNXBMFYSA-N 0 3 280.343 2.265 10 0 CEAEHN COc1ccc(OC)c([C@@]2(O)CCCN(C)CC2)c1 ZINC000086834125 179350242 /nfs/dbraw/zinc/35/02/42/179350242.db2.gz OCJRFGCSUUDWBD-OAHLLOKOSA-N 0 3 265.353 2.007 10 0 CEAEHN CC(C)N1CCC[C@](CC(=O)[O-])([NH+]2CCCC2)CC1 ZINC000086868471 179360498 /nfs/dbraw/zinc/36/04/98/179360498.db2.gz MIUVPGDKRYIWNG-HNNXBMFYSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CC)C[C@@H](C)C(=O)[O-])CC1 ZINC000086868943 179361339 /nfs/dbraw/zinc/36/13/39/179361339.db2.gz JWCQEESUGCCDKB-KGLIPLIRSA-N 0 3 270.417 2.294 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CC)C[C@@H](C)C(=O)[O-])CC1 ZINC000086868943 179361340 /nfs/dbraw/zinc/36/13/40/179361340.db2.gz JWCQEESUGCCDKB-KGLIPLIRSA-N 0 3 270.417 2.294 10 0 CEAEHN CCCN1CCC[C@@H]([NH2+][C@@](C)(CCC)C(=O)[O-])CC1 ZINC000086868645 179361757 /nfs/dbraw/zinc/36/17/57/179361757.db2.gz GEQHCRFIRARLGX-HIFRSBDPSA-N 0 3 270.417 2.484 10 0 CEAEHN CCC[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086869058 179362001 /nfs/dbraw/zinc/36/20/01/179362001.db2.gz OWYDOYYWZHVJOA-CYBMUJFWSA-N 0 3 256.390 2.046 10 0 CEAEHN CCC[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086869058 179362003 /nfs/dbraw/zinc/36/20/03/179362003.db2.gz OWYDOYYWZHVJOA-CYBMUJFWSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@](NC(C)C)(C(=O)OCC)CC1 ZINC000086849781 179358314 /nfs/dbraw/zinc/35/83/14/179358314.db2.gz INNNYIIHFGEHFN-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](NC)c1ccc(F)cc1F ZINC000086979533 179373198 /nfs/dbraw/zinc/37/31/98/179373198.db2.gz KBSLRXYGKDWRAG-ZDUSSCGKSA-N 0 3 291.363 2.440 10 0 CEAEHN CC(C)NCc1c[nH]c([C@@H]2CSCCS2)n1 ZINC000086985457 179374484 /nfs/dbraw/zinc/37/44/84/179374484.db2.gz SZGGLKMRQLKAIX-JTQLQIEISA-N 0 3 257.428 2.429 10 0 CEAEHN CC(C)NCc1cnc([C@@H]2CSCCS2)[nH]1 ZINC000086985457 179374486 /nfs/dbraw/zinc/37/44/86/179374486.db2.gz SZGGLKMRQLKAIX-JTQLQIEISA-N 0 3 257.428 2.429 10 0 CEAEHN CCC[NH2+]CC(=O)Nc1cc(Br)ccc1[O-] ZINC000087049237 179389059 /nfs/dbraw/zinc/38/90/59/179389059.db2.gz DCZHOSAVQFDIGB-UHFFFAOYSA-N 0 3 287.157 2.093 10 0 CEAEHN Cc1ccc(NC(=O)CNCC2(O)CCCCC2)cc1 ZINC000087029132 179382386 /nfs/dbraw/zinc/38/23/86/179382386.db2.gz GGZOGFGIPQFBPL-UHFFFAOYSA-N 0 3 276.380 2.218 10 0 CEAEHN COc1cccc([C@@H]2CNCC(C)(C)O2)c1OC ZINC000087090373 179394061 /nfs/dbraw/zinc/39/40/61/179394061.db2.gz SMKJLZRXZOLWCS-LBPRGKRZSA-N 0 3 251.326 2.143 10 0 CEAEHN COc1ccc(C[C@]2(C)CNC[C@@H](C)O2)cc1OC ZINC000087090081 179394115 /nfs/dbraw/zinc/39/41/15/179394115.db2.gz OCIFCVOTWUUGFU-IAQYHMDHSA-N 0 3 265.353 2.013 10 0 CEAEHN COCCNCc1cnc(CSCC(C)C)nc1 ZINC000087125433 179396151 /nfs/dbraw/zinc/39/61/51/179396151.db2.gz KJMKOYDFOAZDFK-UHFFFAOYSA-N 0 3 269.414 2.102 10 0 CEAEHN CCOC(=O)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000087547308 179443941 /nfs/dbraw/zinc/44/39/41/179443941.db2.gz QPITWTAUWYTPES-GFCCVEGCSA-N 0 3 279.336 2.062 10 0 CEAEHN CCCN[C@@H](CC(=O)OC)c1ccc2c(c1)OCO2 ZINC000087552687 179445588 /nfs/dbraw/zinc/44/55/88/179445588.db2.gz DUQUMBLNRJACHW-NSHDSACASA-N 0 3 265.309 2.019 10 0 CEAEHN CC(C)(C)N1CCCO[C@H](c2ccccc2C(N)=O)C1 ZINC000616649428 348547163 /nfs/dbraw/zinc/54/71/63/348547163.db2.gz JKLAASDLCWPNIO-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN CCN1CCOCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616598925 348530273 /nfs/dbraw/zinc/53/02/73/348530273.db2.gz LQFVJSXUHVKYSX-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CNCCN1 ZINC000616600501 348531184 /nfs/dbraw/zinc/53/11/84/348531184.db2.gz KRJIVMOBNPXWQX-CYBMUJFWSA-N 0 3 291.395 2.292 10 0 CEAEHN CCOC(=O)c1cccc([C@H]2COCCN(CC)C2)c1 ZINC000616661482 348552707 /nfs/dbraw/zinc/55/27/07/348552707.db2.gz SQUOVHDMHCUJNE-OAHLLOKOSA-N 0 3 277.364 2.299 10 0 CEAEHN c1n[nH]cc1[C@H]1COCCN(Cc2ccccc2)C1 ZINC000616662690 348553508 /nfs/dbraw/zinc/55/35/08/348553508.db2.gz JZOSDRLEMOGDLX-OAHLLOKOSA-N 0 3 257.337 2.026 10 0 CEAEHN Nc1ccccc1[C@@H]1c2ccccc2CCN1CCO ZINC000616679484 348557842 /nfs/dbraw/zinc/55/78/42/348557842.db2.gz USBLFKRGXDMZCH-KRWDZBQOSA-N 0 3 268.360 2.209 10 0 CEAEHN CN1CCc2ccccc2[C@H]1c1ccc(C(N)=O)cc1 ZINC000616679805 348559092 /nfs/dbraw/zinc/55/90/92/348559092.db2.gz PLYDQHVANSQARH-MRXNPFEDSA-N 0 3 266.344 2.363 10 0 CEAEHN CCCNCc1ccc(N(C)CCC(F)(F)F)nn1 ZINC000088437143 179601963 /nfs/dbraw/zinc/60/19/63/179601963.db2.gz DBRNZKPTVGNSEZ-UHFFFAOYSA-N 0 3 276.306 2.365 10 0 CEAEHN Cc1ccc(C(=O)CCN2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000401917449 233186341 /nfs/dbraw/zinc/18/63/41/233186341.db2.gz UXGAMHPFCBAPOG-UKRRQHHQSA-N 0 3 261.365 2.271 10 0 CEAEHN COc1cc(CNC2CC(CO)C2)ccc1Cl ZINC000623575146 350055209 /nfs/dbraw/zinc/05/52/09/350055209.db2.gz MTLPTYFKQDWDEQ-UHFFFAOYSA-N 0 3 255.745 2.209 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000623764750 350106533 /nfs/dbraw/zinc/10/65/33/350106533.db2.gz JKVNCWHZMNWVMR-QWRGUYRKSA-N 0 3 276.163 2.233 10 0 CEAEHN CCN[C@H]1CCN(c2c(C)cccc2Cl)C1=O ZINC000090534178 179999809 /nfs/dbraw/zinc/99/98/09/179999809.db2.gz KFWJTBONECHZKS-NSHDSACASA-N 0 3 252.745 2.363 10 0 CEAEHN CC(C)c1ccc(CN(C)C(=O)[C@]2(C)COC[C@@H]2N)cc1 ZINC000090591461 180009955 /nfs/dbraw/zinc/00/99/55/180009955.db2.gz WIYOZWIGCBBCBK-DOTOQJQBSA-N 0 3 290.407 2.132 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@]1(C)COC[C@H]1N ZINC000090590097 180010352 /nfs/dbraw/zinc/01/03/52/180010352.db2.gz QNAHQVUNWSKIJK-TZMCWYRMSA-N 0 3 298.770 2.041 10 0 CEAEHN CC(C)c1ccc(CN(C)C(=O)[C@@]2(C)COC[C@H]2N)cc1 ZINC000090591469 180010642 /nfs/dbraw/zinc/01/06/42/180010642.db2.gz WIYOZWIGCBBCBK-WBVHZDCISA-N 0 3 290.407 2.132 10 0 CEAEHN C[C@@]1(C(=O)Nc2c(Cl)cccc2Cl)COC[C@H]1N ZINC000090605896 180011276 /nfs/dbraw/zinc/01/12/76/180011276.db2.gz MAQSWXOEALFRCG-BXKDBHETSA-N 0 3 289.162 2.296 10 0 CEAEHN COc1cccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1F ZINC000090622685 180015273 /nfs/dbraw/zinc/01/52/73/180015273.db2.gz HTVGQOXPYLCPRF-VXGBXAGGSA-N 0 3 292.354 2.143 10 0 CEAEHN C[C@@H](O[C@@H](C)C(F)(F)F)C(=O)Nc1ccccc1CN ZINC000090671987 180020943 /nfs/dbraw/zinc/02/09/43/180020943.db2.gz HBKHWLYFJXOWQO-BDAKNGLRSA-N 0 3 290.285 2.440 10 0 CEAEHN O=C(C1CCC1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090700855 180027888 /nfs/dbraw/zinc/02/78/88/180027888.db2.gz OMYCAXBLTFZEMX-AWEZNQCLSA-N 0 3 282.453 2.216 10 0 CEAEHN COC(=O)C1(C[C@@H]2CO2)CCN(Cc2ccccc2)CC1 ZINC000669372395 539753371 /nfs/dbraw/zinc/75/33/71/539753371.db2.gz QVUBAYBJSSEQDI-OAHLLOKOSA-N 0 3 289.375 2.231 10 0 CEAEHN CNCc1cn(C[C@@H]2Cc3cc(F)ccc3O2)nc1C ZINC000090895593 180056318 /nfs/dbraw/zinc/05/63/18/180056318.db2.gz ZAQGCYWDXZSNKF-AWEZNQCLSA-N 0 3 275.327 2.054 10 0 CEAEHN CSc1ccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905670 180060003 /nfs/dbraw/zinc/06/00/03/180060003.db2.gz FGBBFQABAWVNDF-VNHYZAJKSA-N 0 3 278.421 2.272 10 0 CEAEHN Cc1ccc([C@H](N)CN2C[C@H]3CC[C@@H](C2)O3)c(C)c1 ZINC000090906131 180060748 /nfs/dbraw/zinc/06/07/48/180060748.db2.gz WTCMYOBHBPCDEN-IJEWVQPXSA-N 0 3 260.381 2.166 10 0 CEAEHN CCc1nc(N2C[C@H]3CC[C@@H](C2)O3)sc1CNC1CC1 ZINC000090908178 180061821 /nfs/dbraw/zinc/06/18/21/180061821.db2.gz DYMSAAGXISLJFA-TXEJJXNPSA-N 0 3 293.436 2.325 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@H](C)[C@H]1CCCO1 ZINC000090959279 180075750 /nfs/dbraw/zinc/07/57/50/180075750.db2.gz ZMLVYAPPQMXYFR-BXKDBHETSA-N 0 3 268.382 2.364 10 0 CEAEHN CC(=O)Nc1ccccc1CNC1(CO)CCCCC1 ZINC000090962566 180076969 /nfs/dbraw/zinc/07/69/69/180076969.db2.gz IXUKHBJKGAMTOW-UHFFFAOYSA-N 0 3 276.380 2.430 10 0 CEAEHN C[C@H](NC[C@@H]1Cc2ccccc21)C(=O)N1CCCCC1 ZINC000090992203 180081372 /nfs/dbraw/zinc/08/13/72/180081372.db2.gz AFEHHQCCUZWPHD-ZFWWWQNUSA-N 0 3 272.392 2.317 10 0 CEAEHN CNCc1cccn1CC(=O)Nc1cccc(C)c1 ZINC000090995823 180082821 /nfs/dbraw/zinc/08/28/21/180082821.db2.gz DOAHNRKPXMVGJQ-UHFFFAOYSA-N 0 3 257.337 2.155 10 0 CEAEHN CCNCc1cccn1CC(=O)N1CCCCCC1 ZINC000090995909 180082940 /nfs/dbraw/zinc/08/29/40/180082940.db2.gz VRKLMJHEYJFTIK-UHFFFAOYSA-N 0 3 263.385 2.000 10 0 CEAEHN CCOC(=O)CCCCCn1ccc(CNCCOC)c1 ZINC000091004603 180084221 /nfs/dbraw/zinc/08/42/21/180084221.db2.gz GMJGMDKLOKRWJX-UHFFFAOYSA-N 0 3 296.411 2.348 10 0 CEAEHN CN(C)C[C@@H](NCc1ccn(C)c1)c1ccccc1 ZINC000091007236 180085611 /nfs/dbraw/zinc/08/56/11/180085611.db2.gz PHHKWLMJFNHBEF-MRXNPFEDSA-N 0 3 257.381 2.418 10 0 CEAEHN CCn1ccc(CN[C@@H]2CCCc3c2cnn3C)c1 ZINC000091011504 180086108 /nfs/dbraw/zinc/08/61/08/180086108.db2.gz NNWLNKAGACZEQN-CQSZACIVSA-N 0 3 258.369 2.409 10 0 CEAEHN O=Cc1cn(CCN2CCCCC2)c2ncccc12 ZINC000091017035 180086771 /nfs/dbraw/zinc/08/67/71/180086771.db2.gz OPDKTYNXVSRODX-UHFFFAOYSA-N 0 3 257.337 2.335 10 0 CEAEHN C[C@@H](OC(=O)C[C@H]1CSCCN1)c1ccccc1 ZINC000091129961 180100817 /nfs/dbraw/zinc/10/08/17/180100817.db2.gz SRPBTGARHVJFKT-YPMHNXCESA-N 0 3 265.378 2.386 10 0 CEAEHN CCc1c(CN)cnn1CCCOc1ccccc1 ZINC000091338851 180136411 /nfs/dbraw/zinc/13/64/11/180136411.db2.gz BUBWYESQKQTCPQ-UHFFFAOYSA-N 0 3 259.353 2.373 10 0 CEAEHN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C)[C@H](C)CO ZINC000091345106 180136970 /nfs/dbraw/zinc/13/69/70/180136970.db2.gz SVBQBDQPUWMMHY-UTUOFQBUSA-N 0 3 261.369 2.241 10 0 CEAEHN Cc1cc2nnc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2cn1 ZINC000091355293 180138924 /nfs/dbraw/zinc/13/89/24/180138924.db2.gz TUSIWTVMNQOXJM-AGIUHOORSA-N 0 3 271.368 2.416 10 0 CEAEHN O=C(Nc1ccccn1)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091358680 180140221 /nfs/dbraw/zinc/14/02/21/180140221.db2.gz QDNZLWRHNLEHFJ-AGIUHOORSA-N 0 3 259.353 2.331 10 0 CEAEHN O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091358701 180140602 /nfs/dbraw/zinc/14/06/02/180140602.db2.gz VEGBSDIXDWROMJ-UBHSHLNASA-N 0 3 259.353 2.331 10 0 CEAEHN O=C(Nc1ccc(F)cn1)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091361758 180141632 /nfs/dbraw/zinc/14/16/32/180141632.db2.gz CITVFNOGRGKIMZ-WXHSDQCUSA-N 0 3 277.343 2.470 10 0 CEAEHN Cc1nn(C)c(SC[C@H](C)CO)c1CNCC(C)C ZINC000091259797 180115894 /nfs/dbraw/zinc/11/58/94/180115894.db2.gz DDGSZOUICIGFOK-LLVKDONJSA-N 0 3 285.457 2.195 10 0 CEAEHN CC(C)(C)c1csc(NC(=O)C[C@H]2CSCCN2)n1 ZINC000091290499 180121940 /nfs/dbraw/zinc/12/19/40/180121940.db2.gz PDMVNZJKEDRFEJ-VIFPVBQESA-N 0 3 299.465 2.474 10 0 CEAEHN CCN(C(=O)C[C@@H]1CSCCN1)c1ccccc1F ZINC000091290816 180122008 /nfs/dbraw/zinc/12/20/08/180122008.db2.gz URBLRUSJCOLHAH-LLVKDONJSA-N 0 3 282.384 2.274 10 0 CEAEHN O=C(C[C@H]1CSCCN1)N1CCC2(CCCC2)CC1 ZINC000091291285 180122849 /nfs/dbraw/zinc/12/28/49/180122849.db2.gz HYNKIEJGMFGKJH-ZDUSSCGKSA-N 0 3 282.453 2.264 10 0 CEAEHN Fc1ccc2nc(C[C@@H]3CNCCO3)n(C3CC3)c2c1 ZINC000091293357 180124267 /nfs/dbraw/zinc/12/42/67/180124267.db2.gz BLEPHXNBAMDYKA-GFCCVEGCSA-N 0 3 275.327 2.041 10 0 CEAEHN N[C@H](CNC(=O)c1ccncc1Cl)c1ccccc1 ZINC000091456873 180160278 /nfs/dbraw/zinc/16/02/78/180160278.db2.gz IHXBCTMDLHJZEG-CYBMUJFWSA-N 0 3 275.739 2.165 10 0 CEAEHN Cc1cc([C@@H]2[C@H](CN)OCCN2C)ccc1Br ZINC000091475410 180165417 /nfs/dbraw/zinc/16/54/17/180165417.db2.gz UUOMLLGSUSSNFP-QWHCGFSZSA-N 0 3 299.212 2.088 10 0 CEAEHN CCCN[C@@H]([C@@H](C)c1ccccn1)C(C)(C)S(C)(=O)=O ZINC000091383449 180143729 /nfs/dbraw/zinc/14/37/29/180143729.db2.gz NIPQURVMXNWOKW-JSGCOSHPSA-N 0 3 298.452 2.377 10 0 CEAEHN CCc1ccc(C(=O)CN2CCC[C@@H](N(C)C)C2)cc1 ZINC000091394021 180145364 /nfs/dbraw/zinc/14/53/64/180145364.db2.gz BISVEPBYJWXMBT-MRXNPFEDSA-N 0 3 274.408 2.458 10 0 CEAEHN CCNCc1cncc(N(C)[C@@H](C)CC(C)C)n1 ZINC000091420765 180150493 /nfs/dbraw/zinc/15/04/93/180150493.db2.gz PGVWYXGRXJBVQN-LBPRGKRZSA-N 0 3 250.390 2.457 10 0 CEAEHN CCNCc1cncc(N(CC(C)C)C(C)C)n1 ZINC000091420800 180150565 /nfs/dbraw/zinc/15/05/65/180150565.db2.gz XFAAXIZPHIOYMN-UHFFFAOYSA-N 0 3 250.390 2.457 10 0 CEAEHN CCCNCc1cncc(N(C)CCC(F)(F)F)n1 ZINC000091422108 180151408 /nfs/dbraw/zinc/15/14/08/180151408.db2.gz ZEOWHIOBMYGUFZ-UHFFFAOYSA-N 0 3 276.306 2.365 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)N(C)C2CC2)o1 ZINC000105087029 186040804 /nfs/dbraw/zinc/04/08/04/186040804.db2.gz IADNSBCEAPFQJA-CMPLNLGQSA-N 0 3 279.384 2.431 10 0 CEAEHN Cc1cccc([C@@H](N)C(C)(C)N2CCOCC2)c1C ZINC000091566310 180193939 /nfs/dbraw/zinc/19/39/39/180193939.db2.gz WJMOPKPZBLOFOJ-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN CCN[C@H](c1nccn1CC)[C@@](C)(CC)N(C)C ZINC000091571473 180196448 /nfs/dbraw/zinc/19/64/48/180196448.db2.gz LOPGYFKQMSQKKV-TZMCWYRMSA-N 0 3 252.406 2.284 10 0 CEAEHN CCN1CCC[C@@H](Nc2c(N)c(C(C)C)nn2C)C1 ZINC000091581923 180199108 /nfs/dbraw/zinc/19/91/08/180199108.db2.gz KZXIOLGQHHTVAV-LLVKDONJSA-N 0 3 265.405 2.022 10 0 CEAEHN CCN[C@@H](c1cnccn1)[C@@](C)(CC)N1CCCC1 ZINC000091607192 180204583 /nfs/dbraw/zinc/20/45/83/180204583.db2.gz SXCKZMOIHAGAKF-LSDHHAIUSA-N 0 3 262.401 2.392 10 0 CEAEHN CCN[C@@H](c1ccoc1)[C@@](C)(CC)N1CCOCC1 ZINC000091612984 180207492 /nfs/dbraw/zinc/20/74/92/180207492.db2.gz NMIIJGGWIZPIEL-LSDHHAIUSA-N 0 3 266.385 2.431 10 0 CEAEHN CCN[C@H](c1cc(Cl)cnc1N)C(C)(C)N(C)C ZINC000091528941 180180389 /nfs/dbraw/zinc/18/03/89/180180389.db2.gz XBKISWXLYZUZPX-LLVKDONJSA-N 0 3 270.808 2.308 10 0 CEAEHN CCN[C@H](c1cnccn1)C1(N(C)C)CCCCC1 ZINC000091647763 180215331 /nfs/dbraw/zinc/21/53/31/180215331.db2.gz OEGWFFRYSULZIO-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN C[C@@H]1CCC[C@](C(=O)Cc2cnn(C)c2)(N(C)C)C1 ZINC000091650064 180216458 /nfs/dbraw/zinc/21/64/58/180216458.db2.gz APHHWEUBSMYUPM-DOMZBBRYSA-N 0 3 263.385 2.042 10 0 CEAEHN Nc1cccc(Cl)c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091662647 180219920 /nfs/dbraw/zinc/21/99/20/180219920.db2.gz NTMCVWYJHZEAAI-GHMZBOCLSA-N 0 3 281.787 2.197 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1F)[C@@H]1CN(C)CCO1 ZINC000091718983 180233258 /nfs/dbraw/zinc/23/32/58/180233258.db2.gz PZNGWMKODIIVAU-LSDHHAIUSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCOc1ccc([C@H](NCC)[C@H]2CN(C)CCO2)cc1 ZINC000091718768 180233301 /nfs/dbraw/zinc/23/33/01/180233301.db2.gz YRLMTSNKKHCLEF-SJORKVTESA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H](c1cccc(C)c1C)[C@@H]1CN(C)CCO1 ZINC000091718702 180233491 /nfs/dbraw/zinc/23/34/91/180233491.db2.gz XNNBSYPMLDSLJT-HOTGVXAUSA-N 0 3 262.397 2.285 10 0 CEAEHN CN[C@H](c1ccccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720892 180236837 /nfs/dbraw/zinc/23/68/37/180236837.db2.gz BUCPLVINVWZYBL-FVQBIDKESA-N 0 3 260.381 2.119 10 0 CEAEHN O[C@@H]1COCC[C@@H]1N[C@H]1CCc2cc(Cl)ccc21 ZINC000624235958 350239596 /nfs/dbraw/zinc/23/95/96/350239596.db2.gz SYVUTRARQGBOAT-MELADBBJSA-N 0 3 267.756 2.067 10 0 CEAEHN CN[C@H](c1cc(C)ccc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721323 180237629 /nfs/dbraw/zinc/23/76/29/180237629.db2.gz AIRXRNNGUODDBF-DAXOMENPSA-N 0 3 278.371 2.258 10 0 CEAEHN COC(=O)c1ccc([C@@H](C)N(C)C2CCN(C)CC2)o1 ZINC000091780227 180252386 /nfs/dbraw/zinc/25/23/86/180252386.db2.gz GRULNNODAMQKIF-LLVKDONJSA-N 0 3 280.368 2.153 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+][C@H](CC(C)C)CN(C)C)n1 ZINC000105436397 186057114 /nfs/dbraw/zinc/05/71/14/186057114.db2.gz VXEMNFUBONOQHE-CYBMUJFWSA-N 0 3 265.401 2.162 10 0 CEAEHN CCCN[C@H](c1ccco1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722199 180239895 /nfs/dbraw/zinc/23/98/95/180239895.db2.gz SPQRLIKXOZTZTL-BPLDGKMQSA-N 0 3 264.369 2.184 10 0 CEAEHN Cc1noc(CCNCc2ccc(OC(F)F)cc2)n1 ZINC000105470204 186059658 /nfs/dbraw/zinc/05/96/58/186059658.db2.gz CVOOZIWZSFFZQF-UHFFFAOYSA-N 0 3 283.278 2.312 10 0 CEAEHN COCCNCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000105674522 186068050 /nfs/dbraw/zinc/06/80/50/186068050.db2.gz BFZYBAVUCLFFPO-CQSZACIVSA-N 0 3 292.423 2.298 10 0 CEAEHN CC1CCN(C(=O)N2CCNCC23CCCCC3)CC1 ZINC000091991384 180300074 /nfs/dbraw/zinc/30/00/74/180300074.db2.gz CLTYGWHUMWQJFM-UHFFFAOYSA-N 0 3 279.428 2.446 10 0 CEAEHN CNCc1nc(C)ccc1O[C@@H]1CCC[C@H](OC)C1 ZINC000091994351 180301314 /nfs/dbraw/zinc/30/13/14/180301314.db2.gz RSJUEKHUHGDOPJ-QWHCGFSZSA-N 0 3 264.369 2.446 10 0 CEAEHN CNCc1nc(C)ccc1O[C@H]1CCCCC[C@H]1O ZINC000091994226 180301317 /nfs/dbraw/zinc/30/13/17/180301317.db2.gz ZCKQYTDRADAUGR-HIFRSBDPSA-N 0 3 264.369 2.182 10 0 CEAEHN CNCc1nc(C)ccc1O[C@H]1CCCCC[C@@H]1O ZINC000091994224 180301358 /nfs/dbraw/zinc/30/13/58/180301358.db2.gz ZCKQYTDRADAUGR-ZFWWWQNUSA-N 0 3 264.369 2.182 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1F ZINC000105872296 186080283 /nfs/dbraw/zinc/08/02/83/186080283.db2.gz FBVRZOHBTPSBRC-MWLCHTKSSA-N 0 3 278.306 2.222 10 0 CEAEHN CO[C@@H]1CCCC[C@@H]1NCc1c(C)nn(C)c1C ZINC000092325252 180362908 /nfs/dbraw/zinc/36/29/08/180362908.db2.gz JEHSVQLEEWKFLX-UONOGXRCSA-N 0 3 251.374 2.084 10 0 CEAEHN CCCNC(=O)[C@H](CN)Cc1cc(C)nc2ccccc12 ZINC000092344561 180366264 /nfs/dbraw/zinc/36/62/64/180366264.db2.gz DYMBNULFPPGAFZ-AWEZNQCLSA-N 0 3 285.391 2.187 10 0 CEAEHN CCNc1cccc(CN(C)[C@H]2CCSC2)n1 ZINC000092368319 180369958 /nfs/dbraw/zinc/36/99/58/180369958.db2.gz YHTAZKXITJLZQO-LBPRGKRZSA-N 0 3 251.399 2.451 10 0 CEAEHN CCOC(=O)CCCN1CCC[C@@H](n2ccnc2CC)C1 ZINC000105897833 186085366 /nfs/dbraw/zinc/08/53/66/186085366.db2.gz VEOOILWFKDAMCY-CQSZACIVSA-N 0 3 293.411 2.426 10 0 CEAEHN Cc1cnn([C@H]2CCCN(C[C@@H]3CCCCO3)C2)c1 ZINC000105899596 186085889 /nfs/dbraw/zinc/08/58/89/186085889.db2.gz BJZZGMDOJLFALQ-GJZGRUSLSA-N 0 3 263.385 2.398 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC1=N[C@@H](C(C)C)CS1 ZINC000092402344 180377167 /nfs/dbraw/zinc/37/71/67/180377167.db2.gz ZNGWTUOFWMAEFZ-NWDGAFQWSA-N 0 3 257.447 2.290 10 0 CEAEHN CCCNc1ccnc(CN(CCCOC)CCOC)c1 ZINC000092418614 180381343 /nfs/dbraw/zinc/38/13/43/180381343.db2.gz GUWPZCGZMDKUSB-UHFFFAOYSA-N 0 3 295.427 2.388 10 0 CEAEHN CN(Cc1cc(Cl)ccn1)[C@H]1CCCN(C)C1 ZINC000092416613 180381526 /nfs/dbraw/zinc/38/15/26/180381526.db2.gz BBRHATQCZAUFHE-ZDUSSCGKSA-N 0 3 253.777 2.261 10 0 CEAEHN COc1ccc2c(c1)[C@@](NC1CCCC1)(C(N)=O)CCC2 ZINC000092384956 180373500 /nfs/dbraw/zinc/37/35/00/180373500.db2.gz JCDCLRXNHHVHGZ-QGZVFWFLSA-N 0 3 288.391 2.244 10 0 CEAEHN CC(C)[C@@H](NCc1ccc(Br)cc1)C(N)=O ZINC000107323122 186169528 /nfs/dbraw/zinc/16/95/28/186169528.db2.gz BBWXCAGXIIMIPR-LLVKDONJSA-N 0 3 285.185 2.049 10 0 CEAEHN CC(C)[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccccc1 ZINC000109041592 186241325 /nfs/dbraw/zinc/24/13/25/186241325.db2.gz PQIHKSOQDKIGQC-AWEZNQCLSA-N 0 3 298.452 2.301 10 0 CEAEHN COC[C@@H](N)Cc1nc(-c2cccc3ccccc32)no1 ZINC000109510140 186258651 /nfs/dbraw/zinc/25/86/51/186258651.db2.gz AFAMTKDHWLLZNA-LBPRGKRZSA-N 0 3 283.331 2.406 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1NC(=S)N1CCC[C@@H]1CN(C)C ZINC000109670912 186268549 /nfs/dbraw/zinc/26/85/49/186268549.db2.gz XKULJINOMANIGW-MCIONIFRSA-N 0 3 283.485 2.466 10 0 CEAEHN CC[NH2+][C@@](C)(CCN(CCC(C)C)C1CC1)C(=O)[O-] ZINC000109956518 186281160 /nfs/dbraw/zinc/28/11/60/186281160.db2.gz WNWRJSUVBWBHMF-HNNXBMFYSA-N 0 3 270.417 2.340 10 0 CEAEHN CC(C)Oc1cc(N[C@H]2CCN(C)C2)c(N)cc1F ZINC000110638936 186307546 /nfs/dbraw/zinc/30/75/46/186307546.db2.gz FEHAYKOBJOJCFK-JTQLQIEISA-N 0 3 267.348 2.311 10 0 CEAEHN CCCN[C@@](C)(CN(C)CC1CCCC1)C(=O)OC ZINC000110840938 186328973 /nfs/dbraw/zinc/32/89/73/186328973.db2.gz SMJOMQJHGAJHDS-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CN1CCC(OC(=O)c2c(N)cccc2Cl)CC1 ZINC000111013230 186343277 /nfs/dbraw/zinc/34/32/77/186343277.db2.gz VRVSDRVGSSHAEW-UHFFFAOYSA-N 0 3 268.744 2.173 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1[C@@H](CN)c1cccc(F)c1F ZINC000111039486 186346682 /nfs/dbraw/zinc/34/66/82/186346682.db2.gz NJMXZAWRKYWPBK-GYSYKLTISA-N 0 3 284.350 2.464 10 0 CEAEHN CCOc1ccccc1[C@@H](CN)N(C)C[C@@H]1CCCOC1 ZINC000111157791 186362432 /nfs/dbraw/zinc/36/24/32/186362432.db2.gz JPVGUVPVIVLIMT-GOEBONIOSA-N 0 3 292.423 2.444 10 0 CEAEHN O=c1[nH]c(CNC[C@H]2C[C@H]3CC[C@@H]2C3)nc2ccccc21 ZINC000111089782 186351723 /nfs/dbraw/zinc/35/17/23/186351723.db2.gz ITGAMTGBCOVMQK-YNEHKIRRSA-N 0 3 283.375 2.449 10 0 CEAEHN CCOCCN(CC)Cc1cc(CNC(C)(C)C)no1 ZINC000111123911 186354515 /nfs/dbraw/zinc/35/45/15/186354515.db2.gz VNIFMZRMJIFYJP-UHFFFAOYSA-N 0 3 283.416 2.421 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N(CC)CCOCC ZINC000111118797 186354854 /nfs/dbraw/zinc/35/48/54/186354854.db2.gz IJRQABORGDIOBJ-NVXWUHKLSA-N 0 3 292.423 2.457 10 0 CEAEHN CCOCCN(CC)C[C@H](N)c1ccc(OC)c(OC)c1 ZINC000111119097 186355648 /nfs/dbraw/zinc/35/56/48/186355648.db2.gz ZXPNHQZLCRRDRO-AWEZNQCLSA-N 0 3 296.411 2.062 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)C[C@@H]2CCCOC2)n1 ZINC000111153696 186360141 /nfs/dbraw/zinc/36/01/41/186360141.db2.gz FKNBCKNBPTZQEI-ZDUSSCGKSA-N 0 3 263.385 2.020 10 0 CEAEHN Cc1ccnc2[nH]c([C@H](N)Cc3ccc(O)cc3)nc21 ZINC000111279976 186388167 /nfs/dbraw/zinc/38/81/67/186388167.db2.gz MFRYXGXAJPQAOU-GFCCVEGCSA-N 0 3 268.320 2.214 10 0 CEAEHN Cc1c(Cl)ncnc1NCCN1CCCCC1 ZINC000111298069 186392553 /nfs/dbraw/zinc/39/25/53/186392553.db2.gz QMQDYKGWTLRNOK-UHFFFAOYSA-N 0 3 254.765 2.336 10 0 CEAEHN N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Cc1ccc(F)cc1 ZINC000111367300 186406635 /nfs/dbraw/zinc/40/66/35/186406635.db2.gz LKGXSQWHFPLJBB-WBVHZDCISA-N 0 3 284.334 2.109 10 0 CEAEHN CC(=O)c1c(F)cccc1N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000123996022 187117566 /nfs/dbraw/zinc/11/75/66/187117566.db2.gz RTYFPPHCCHRDDX-YGRLFVJLSA-N 0 3 264.344 2.415 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(F)c(OC)c2)C1 ZINC000252728967 539896278 /nfs/dbraw/zinc/89/62/78/539896278.db2.gz DPZGPXYKYBSKMJ-OCCSQVGLSA-N 0 3 296.386 2.206 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccsc2)[C@@H](C)C1 ZINC000155817006 188228923 /nfs/dbraw/zinc/22/89/23/188228923.db2.gz ZWIMBXSOHOTJHG-JQWIXIFHSA-N 0 3 252.383 2.207 10 0 CEAEHN c1csc([C@H]2CN(CCN3CCCCC3)CCO2)n1 ZINC000132346183 366137529 /nfs/dbraw/zinc/13/75/29/366137529.db2.gz ADPFHKOSJJFJPH-CYBMUJFWSA-N 0 3 281.425 2.002 10 0 CEAEHN Nc1ccc([S@@](=O)(=NC2CC2)NC2CCC2)cc1 ZINC000675076709 540117978 /nfs/dbraw/zinc/11/79/78/540117978.db2.gz YMXXIZSEPMISAT-SFHVURJKSA-N 0 3 265.382 2.315 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2nccs2)=C[C@@H](N)C1 ZINC000675079476 540119541 /nfs/dbraw/zinc/11/95/41/540119541.db2.gz ZLDBMUWOCWCXMS-SNVBAGLBSA-N 0 3 281.381 2.105 10 0 CEAEHN Cc1cccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000037489793 540131292 /nfs/dbraw/zinc/13/12/92/540131292.db2.gz VQHIEQRDYCBZGO-HZPDHXFCSA-N 0 3 260.381 2.030 10 0 CEAEHN COC1CC(N)(c2cscc2Br)C1 ZINC000575561968 366296528 /nfs/dbraw/zinc/29/65/28/366296528.db2.gz WRBIMLXBXYPXMF-UHFFFAOYSA-N 0 3 262.172 2.473 10 0 CEAEHN CN(C)[C@@H]1CCN(c2nc3ccc(N)cc3s2)C1 ZINC000063104727 538762949 /nfs/dbraw/zinc/76/29/49/538762949.db2.gz DMPWOCLZSODJHJ-SNVBAGLBSA-N 0 3 262.382 2.019 10 0 CEAEHN Cc1noc(C)c1CCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000336284334 213122567 /nfs/dbraw/zinc/12/25/67/213122567.db2.gz GNKIGXBJZRNWBR-GDBMZVCRSA-N 0 3 278.396 2.461 10 0 CEAEHN C[C@@H]1C[C@H](N[C@H](CN(C)C)c2ccccc2)[C@H](C)O1 ZINC000294945933 199265240 /nfs/dbraw/zinc/26/52/40/199265240.db2.gz AGEMJCLGJCTUOM-BFJAYTPKSA-N 0 3 262.397 2.445 10 0 CEAEHN COc1cccc(CN[C@H]2CCCCC[C@@H]2O)c1OC ZINC000135658389 366464532 /nfs/dbraw/zinc/46/45/32/366464532.db2.gz QWCJEYGGTBJZSL-KBPBESRZSA-N 0 3 279.380 2.487 10 0 CEAEHN CCN1CCC[C@H](NCc2sc(C)nc2C)C1 ZINC000080694025 363679229 /nfs/dbraw/zinc/67/92/29/363679229.db2.gz WMXKGXLBVWMFAG-LBPRGKRZSA-N 0 3 253.415 2.334 10 0 CEAEHN C[C@H](NC[C@@H](O)CN1CCCCC1)c1cccnc1Cl ZINC000151277648 366636057 /nfs/dbraw/zinc/63/60/57/366636057.db2.gz BWCJZAWATYGCLA-QWHCGFSZSA-N 0 3 297.830 2.232 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC000177030948 189022912 /nfs/dbraw/zinc/02/29/12/189022912.db2.gz YAMNXNDHKFUJNT-ZDUSSCGKSA-N 0 3 264.369 2.453 10 0 CEAEHN COc1cccc([C@@H](C)CC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000177646600 189061018 /nfs/dbraw/zinc/06/10/18/189061018.db2.gz XHTDNFBBCJKARA-ZFWWWQNUSA-N 0 3 290.407 2.351 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000177696868 189063866 /nfs/dbraw/zinc/06/38/66/189063866.db2.gz IGASTTOZIXNEAZ-GOEBONIOSA-N 0 3 289.423 2.430 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC000179321635 189186097 /nfs/dbraw/zinc/18/60/97/189186097.db2.gz QOTDAGLEPWFKKU-CQSZACIVSA-N 0 3 287.338 2.150 10 0 CEAEHN CC(C)n1cc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000342174093 216246508 /nfs/dbraw/zinc/24/65/08/216246508.db2.gz UOXBPJJKSFYLFA-CLLJXQQHSA-N 0 3 266.389 2.152 10 0 CEAEHN CC[C@@H](C)Oc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccn1 ZINC000180253624 189246762 /nfs/dbraw/zinc/24/67/62/189246762.db2.gz XHVUTZXLUFLQMW-TZMCWYRMSA-N 0 3 291.395 2.035 10 0 CEAEHN CCCCNc1ccc(C(=O)OCCN(C)C)c(O)c1 ZINC000001999318 361225264 /nfs/dbraw/zinc/22/52/64/361225264.db2.gz DHCUQNSUUYMFGX-UHFFFAOYSA-N 0 3 280.368 2.323 10 0 in-man CEAEHN CCSCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152454901 366696635 /nfs/dbraw/zinc/69/66/35/366696635.db2.gz SLLREXYKFOBBAZ-CYBMUJFWSA-N 0 3 252.383 2.288 10 0 CEAEHN O=C(Nc1ccnc(Cl)c1)N1CCN2CCC[C@H]2C1 ZINC000181918902 189310453 /nfs/dbraw/zinc/31/04/53/189310453.db2.gz PVACNQOXJJKWEB-NSHDSACASA-N 0 3 280.759 2.047 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000083550271 363778387 /nfs/dbraw/zinc/77/83/87/363778387.db2.gz BJVCRCNVOZVOCJ-CMPLNLGQSA-N 0 3 279.771 2.044 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000153993202 366749984 /nfs/dbraw/zinc/74/99/84/366749984.db2.gz GMNGGBLFXGPIFY-BXUZGUMPSA-N 0 3 295.427 2.487 10 0 CEAEHN C[C@H]1CC[C@H](C(=O)N2CCN(C3CCC(C)CC3)CC2)O1 ZINC000155078688 366806012 /nfs/dbraw/zinc/80/60/12/366806012.db2.gz XSPBIZSLOITKGX-BHDPWAOGSA-N 0 3 294.439 2.277 10 0 CEAEHN Cc1cccc2c(NCCN3CCOCC3)ccnc12 ZINC000301683883 201136474 /nfs/dbraw/zinc/13/64/74/201136474.db2.gz SZDPZBSQWLKZAR-UHFFFAOYSA-N 0 3 271.364 2.287 10 0 CEAEHN CN(C)C[C@@H]1CN(CCc2ccccc2Cl)CCO1 ZINC000155360109 366817071 /nfs/dbraw/zinc/81/70/71/366817071.db2.gz PTCLNTUFKRMCES-CQSZACIVSA-N 0 3 282.815 2.145 10 0 CEAEHN O=C(OCCCN1CCSCC1)c1ccccc1 ZINC000014982945 361463557 /nfs/dbraw/zinc/46/35/57/361463557.db2.gz JVRLCIBFPLTMHS-UHFFFAOYSA-N 0 3 265.378 2.282 10 0 CEAEHN Cc1cccc2c(N3C[C@H]4OCCN(C)[C@H]4C3)ccnc12 ZINC000301715308 201155244 /nfs/dbraw/zinc/15/52/44/201155244.db2.gz MPEQNAIMFDYMNF-JKSUJKDBSA-N 0 3 283.375 2.062 10 0 CEAEHN CCc1nsc(N2C[C@@H]3CCCN3C[C@@H]2CC)n1 ZINC000301950449 201275007 /nfs/dbraw/zinc/27/50/07/201275007.db2.gz GQSXYKWHASHQTP-QWRGUYRKSA-N 0 3 266.414 2.164 10 0 CEAEHN CO[C@@]12CCC(=O)C[C@@]13CCN(C)[C@@H]2Cc1ccccc13 ZINC000029339118 361683558 /nfs/dbraw/zinc/68/35/58/361683558.db2.gz FLXUHZLXUUZCIB-KZNAEPCWSA-N 0 3 285.387 2.323 10 0 CEAEHN CCN(CCO)CCNc1nc2ccccc2cc1C ZINC000302208268 201397827 /nfs/dbraw/zinc/39/78/27/201397827.db2.gz AXNARNMOOKGMED-UHFFFAOYSA-N 0 3 273.380 2.269 10 0 CEAEHN CCCc1nsc(NCCCNCc2cccnc2)n1 ZINC000087642621 363865695 /nfs/dbraw/zinc/86/56/95/363865695.db2.gz PNPRQROVAPWCIE-UHFFFAOYSA-N 0 3 291.424 2.477 10 0 CEAEHN C[C@H](NCCN1C(=O)CCC1=O)c1ccc(F)c(Cl)c1 ZINC000089683519 363992015 /nfs/dbraw/zinc/99/20/15/363992015.db2.gz HVJUWADPMMTPMH-VIFPVBQESA-N 0 3 298.745 2.279 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC000092627352 364089292 /nfs/dbraw/zinc/08/92/92/364089292.db2.gz MRMDXKRQPYWYQN-CQSZACIVSA-N 0 3 264.344 2.382 10 0 CEAEHN CCn1cc(CN2CC[C@@H](CNc3ccccn3)C2)cn1 ZINC000092812503 364110250 /nfs/dbraw/zinc/11/02/50/364110250.db2.gz CJFGJRMOLFOAEO-AWEZNQCLSA-N 0 3 285.395 2.232 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc(Cn3cccn3)cc2)CCCCN1 ZINC000237621647 370738636 /nfs/dbraw/zinc/73/86/36/370738636.db2.gz LCEQJFHFMKFMSC-KRWDZBQOSA-N 0 3 298.390 2.402 10 0 CEAEHN Cc1cccnc1CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000094434666 364272844 /nfs/dbraw/zinc/27/28/44/364272844.db2.gz IRVJNVCJQGFZFH-LSDHHAIUSA-N 0 3 259.397 2.449 10 0 CEAEHN CC(C)CCOCCN1CCN2CCCC[C@@H]2C1 ZINC000094432279 364273202 /nfs/dbraw/zinc/27/32/02/364273202.db2.gz BLTHDXWHJANHFY-OAHLLOKOSA-N 0 3 254.418 2.219 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CC[C@@H]1CCCO1 ZINC000094434168 364273575 /nfs/dbraw/zinc/27/35/75/364273575.db2.gz YNVLBVIVLVBZAX-KFWWJZLASA-N 0 3 252.402 2.114 10 0 CEAEHN COC[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000103430172 364651736 /nfs/dbraw/zinc/65/17/36/364651736.db2.gz KHIVRGSQBOFYLK-GDBMZVCRSA-N 0 3 290.407 2.050 10 0 CEAEHN CCOc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1C ZINC000113170041 364872646 /nfs/dbraw/zinc/87/26/46/364872646.db2.gz PWSJLEXANZJNEL-AWEZNQCLSA-N 0 3 276.380 2.170 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)cc1F ZINC000335768415 364953862 /nfs/dbraw/zinc/95/38/62/364953862.db2.gz GKXFCISJWBAKTJ-UFBFGSQYSA-N 0 3 270.735 2.236 10 0 CEAEHN COCCN1CCN(CCC2CCCC2)C[C@@H]1C ZINC000119158948 365225627 /nfs/dbraw/zinc/22/56/27/365225627.db2.gz AISFLOJMDIBDIG-AWEZNQCLSA-N 0 3 254.418 2.219 10 0 CEAEHN CC[C@H](C)CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000120505764 365433792 /nfs/dbraw/zinc/43/37/92/365433792.db2.gz HMVBAICDGWIUFC-ZDUSSCGKSA-N 0 3 278.444 2.201 10 0 CEAEHN CCC[C@H]1CN(C(=O)N[C@H](CC(C)C)CN(C)C)CCO1 ZINC000120591101 365446270 /nfs/dbraw/zinc/44/62/70/365446270.db2.gz JVBKQVJGHDZWOG-CABCVRRESA-N 0 3 299.459 2.173 10 0 CEAEHN Cc1ccc(CN2CC[C@H](N3CCOCC3)C2)cc1C ZINC000121046372 365516487 /nfs/dbraw/zinc/51/64/87/365516487.db2.gz GINRKFABHVARSX-KRWDZBQOSA-N 0 3 274.408 2.210 10 0 CEAEHN CC1(C)CCCCN([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336180601 365520281 /nfs/dbraw/zinc/52/02/81/365520281.db2.gz LJBQDPXDYPECLI-OAHLLOKOSA-N 0 3 294.439 2.278 10 0 CEAEHN CC[C@H]1CN(Cc2ccccc2OC)CCN1CCOC ZINC000120961829 365504134 /nfs/dbraw/zinc/50/41/34/365504134.db2.gz UYGALPSMEWWFMR-INIZCTEOSA-N 0 3 292.423 2.238 10 0 CEAEHN CCC[C@H](N)C(=O)N(CC)C[C@@H](O)c1ccc(C)cc1 ZINC000161953818 367124502 /nfs/dbraw/zinc/12/45/02/367124502.db2.gz FDXIPADSSJNTHL-LSDHHAIUSA-N 0 3 278.396 2.004 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ccccc1CN(C)C)N(C)C ZINC000162129304 367138609 /nfs/dbraw/zinc/13/86/09/367138609.db2.gz QNBVXYBKEFJHPK-INIZCTEOSA-N 0 3 291.439 2.095 10 0 CEAEHN Cc1ccc([C@H](C)CNC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000162257673 367147558 /nfs/dbraw/zinc/14/75/58/367147558.db2.gz IADCUKUPNYZPNS-ZBFHGGJFSA-N 0 3 289.423 2.444 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000245434207 370820015 /nfs/dbraw/zinc/82/00/15/370820015.db2.gz RCHHFVNXPFWNOA-GJZGRUSLSA-N 0 3 292.427 2.004 10 0 CEAEHN C[C@@H]1CCC[C@H](CN2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000245605641 370848641 /nfs/dbraw/zinc/84/86/41/370848641.db2.gz MGEULEDXIREOHZ-OWCLPIDISA-N 0 3 277.412 2.410 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(F)cc3cccnc32)C1 ZINC000163244627 367226250 /nfs/dbraw/zinc/22/62/50/367226250.db2.gz HWTYFYQBWXWZNC-CYBMUJFWSA-N 0 3 287.338 2.150 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C1 ZINC000170826116 367426174 /nfs/dbraw/zinc/42/61/74/367426174.db2.gz ZTWJUGNXTJTNRJ-CQSZACIVSA-N 0 3 295.814 2.228 10 0 CEAEHN CCc1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000170830542 367428149 /nfs/dbraw/zinc/42/81/49/367428149.db2.gz OOWRDBQHQRBKKB-LLVKDONJSA-N 0 3 281.425 2.156 10 0 CEAEHN COc1cc([C@@H]2C[C@H](CO)CN(C)C2)c(OC)cc1C ZINC000169318768 367367747 /nfs/dbraw/zinc/36/77/47/367367747.db2.gz VJIMYMUYEJOURM-QWHCGFSZSA-N 0 3 279.380 2.040 10 0 CEAEHN Cc1ccc(C)c(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000171067762 367470245 /nfs/dbraw/zinc/47/02/45/367470245.db2.gz UATLHYOQRYTBKJ-CYBMUJFWSA-N 0 3 261.369 2.471 10 0 CEAEHN C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170854867 367430718 /nfs/dbraw/zinc/43/07/18/367430718.db2.gz LSEOTQVGWFRYLL-SWLSCSKDSA-N 0 3 278.371 2.167 10 0 CEAEHN Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170858789 367432887 /nfs/dbraw/zinc/43/28/87/367432887.db2.gz VGYMVLMGYNVSQI-AWEZNQCLSA-N 0 3 299.374 2.426 10 0 CEAEHN Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@H](N(C)C)C1 ZINC000170867269 367436555 /nfs/dbraw/zinc/43/65/55/367436555.db2.gz HXLMTCWUJIENSA-ZDUSSCGKSA-N 0 3 285.391 2.181 10 0 CEAEHN Cc1ccccc1CCC(=O)N1CCN2CCC[C@H]2C1 ZINC000170894088 367442644 /nfs/dbraw/zinc/44/26/44/367442644.db2.gz UVBJLJHOOYPMSI-INIZCTEOSA-N 0 3 272.392 2.234 10 0 CEAEHN CC[C@@H]1CN(Cc2cc(F)ccc2F)CCN1C[C@@H](C)O ZINC000170937887 367449760 /nfs/dbraw/zinc/44/97/60/367449760.db2.gz RJAVSRMCMHKADB-IUODEOHRSA-N 0 3 298.377 2.242 10 0 CEAEHN CSc1ccsc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000170948931 367452138 /nfs/dbraw/zinc/45/21/38/367452138.db2.gz KEQLKTFDMVQYGX-JTQLQIEISA-N 0 3 282.434 2.390 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC(=O)N1CCS[C@@H](C)C1 ZINC000171422589 367539493 /nfs/dbraw/zinc/53/94/93/367539493.db2.gz DYVPGLOIANLYML-STQMWFEESA-N 0 3 285.457 2.008 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(CCc3ccccn3)C2)no1 ZINC000171503596 367555985 /nfs/dbraw/zinc/55/59/85/367555985.db2.gz AUQLRJOICCWLIL-CQSZACIVSA-N 0 3 286.379 2.270 10 0 CEAEHN C[C@H](Cc1cccs1)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171901163 367635936 /nfs/dbraw/zinc/63/59/36/367635936.db2.gz ONATWCXXFCYQOO-CHWSQXEVSA-N 0 3 293.436 2.169 10 0 CEAEHN CCC[C@H](C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)N(C)C ZINC000245764833 370871503 /nfs/dbraw/zinc/87/15/03/370871503.db2.gz JECRMHBTFHISPL-ZNMIVQPWSA-N 0 3 292.427 2.023 10 0 CEAEHN Cc1cccc2c(CC(=O)N3CCN4CCC[C@H]4C3)c[nH]c21 ZINC000172843487 367827794 /nfs/dbraw/zinc/82/77/94/367827794.db2.gz VUQROJKXLVQLOO-HNNXBMFYSA-N 0 3 297.402 2.325 10 0 CEAEHN CC[C@@H](O)CN1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000174071544 367978613 /nfs/dbraw/zinc/97/86/13/367978613.db2.gz YTTQMQGJFPSCLI-NVXWUHKLSA-N 0 3 276.424 2.179 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2cc(C)ccc2C)CC1 ZINC000174071888 367978919 /nfs/dbraw/zinc/97/89/19/367978919.db2.gz FTGQVHGWLFQOSK-KRWDZBQOSA-N 0 3 276.424 2.192 10 0 CEAEHN O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCN2CCC[C@@H]2C1 ZINC000175742714 368170341 /nfs/dbraw/zinc/17/03/41/368170341.db2.gz MMIYZGMMDMFVOH-AYBZRNKSSA-N 0 3 296.414 2.197 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1nccs1 ZINC000176252162 368217290 /nfs/dbraw/zinc/21/72/90/368217290.db2.gz SMXASJQJVYPPMY-JTQLQIEISA-N 0 3 268.386 2.091 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccnn1C(C)C ZINC000176269767 368218296 /nfs/dbraw/zinc/21/82/96/368218296.db2.gz CFYCNJRJLGVOMH-ZDUSSCGKSA-N 0 3 293.415 2.412 10 0 CEAEHN Cc1nc(CCCC(=O)N2CCN3CCC[C@@H]3C2)cs1 ZINC000176282085 368219475 /nfs/dbraw/zinc/21/94/75/368219475.db2.gz LRFHQJABLOIGLZ-CQSZACIVSA-N 0 3 293.436 2.081 10 0 CEAEHN CCc1ccc([C@H](C)[NH2+]CCCOC(=O)N=C(N)[O-])cc1 ZINC000181474980 368460380 /nfs/dbraw/zinc/46/03/80/368460380.db2.gz DDZCDRYYPMJIMZ-NSHDSACASA-N 0 3 293.367 2.095 10 0 CEAEHN CCc1ccc([C@H](C)[NH2+]CCCOC([O-])=NC(N)=O)cc1 ZINC000181474980 368460384 /nfs/dbraw/zinc/46/03/84/368460384.db2.gz DDZCDRYYPMJIMZ-NSHDSACASA-N 0 3 293.367 2.095 10 0 CEAEHN CN(C)C[C@H](NC(=O)Cc1ccncc1)c1ccccc1 ZINC000181836433 368498978 /nfs/dbraw/zinc/49/89/78/368498978.db2.gz PODLRGZUKZKWDH-INIZCTEOSA-N 0 3 283.375 2.043 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000246040070 370902572 /nfs/dbraw/zinc/90/25/72/370902572.db2.gz XHROFSWUHSLWGS-GJZGRUSLSA-N 0 3 279.428 2.445 10 0 CEAEHN CCC(CC)CS(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246078698 370906142 /nfs/dbraw/zinc/90/61/42/370906142.db2.gz FOBBNUTYODHIOW-TZMCWYRMSA-N 0 3 290.473 2.071 10 0 CEAEHN Cc1ccc(C)c(OC[C@H](O)CN2CCS[C@@H](C)C2)c1 ZINC000246100641 370909134 /nfs/dbraw/zinc/90/91/34/370909134.db2.gz HXIQTNOJWBWXTN-LSDHHAIUSA-N 0 3 295.448 2.480 10 0 CEAEHN Fc1ccccc1OCCN1CCN2CCCC[C@H]2C1 ZINC000246163157 370918355 /nfs/dbraw/zinc/91/83/55/370918355.db2.gz IDPYWVFBWAPSJP-AWEZNQCLSA-N 0 3 278.371 2.375 10 0 CEAEHN CCC[C@H](N[C@H]1CCc2ncnn2C1)c1cccnc1 ZINC000185993448 368901570 /nfs/dbraw/zinc/90/15/70/368901570.db2.gz QCDBBCOJOMXKBL-KBPBESRZSA-N 0 3 271.368 2.119 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2ccco2)C12CCOCC2 ZINC000186200474 368937566 /nfs/dbraw/zinc/93/75/66/368937566.db2.gz UEZRDTXPBXZEHY-KGLIPLIRSA-N 0 3 265.353 2.343 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@H](CO)C(C)C)c1C ZINC000348297564 368991061 /nfs/dbraw/zinc/99/10/61/368991061.db2.gz ZQYULPRIXHCFRE-BXUZGUMPSA-N 0 3 267.417 2.435 10 0 CEAEHN OC[C@@H]1CN(Cc2ccccn2)C[C@H]1c1ccsc1 ZINC000188070251 369289687 /nfs/dbraw/zinc/28/96/87/369289687.db2.gz DSFDJWLOACJOEL-ZFWWWQNUSA-N 0 3 274.389 2.351 10 0 CEAEHN CCC[C@H](C(=O)NCCCCCSC)N(C)C ZINC000188204810 369318038 /nfs/dbraw/zinc/31/80/38/369318038.db2.gz TWUIIWCVKSHGCE-GFCCVEGCSA-N 0 3 260.447 2.366 10 0 CEAEHN Cc1ccc2cc(CN[C@@H]3CCc4ncnn4C3)ccc2n1 ZINC000189324679 369496993 /nfs/dbraw/zinc/49/69/93/369496993.db2.gz HSQSWBRDAQDNJS-OAHLLOKOSA-N 0 3 293.374 2.239 10 0 CEAEHN CCCCOC[C@@H](O)CN[C@H](C)c1ccc(C)o1 ZINC000193241645 369909572 /nfs/dbraw/zinc/90/95/72/369909572.db2.gz GVXAVKNBJHSTPI-OLZOCXBDSA-N 0 3 255.358 2.416 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000193251160 369911630 /nfs/dbraw/zinc/91/16/30/369911630.db2.gz CNUQWDZMXQNSFZ-RYUDHWBXSA-N 0 3 283.334 2.438 10 0 CEAEHN C=Cn1cc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000194763550 370073470 /nfs/dbraw/zinc/07/34/70/370073470.db2.gz MCHNISVSBFRVDC-GJZGRUSLSA-N 0 3 289.404 2.253 10 0 CEAEHN CC(=O)c1ccc(N2CCNCC2)cc1C(F)(F)F ZINC000201759750 370151915 /nfs/dbraw/zinc/15/19/15/370151915.db2.gz VEHXAWMRLHKSEJ-UHFFFAOYSA-N 0 3 272.270 2.318 10 0 CEAEHN CNc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000638117491 370314331 /nfs/dbraw/zinc/31/43/31/370314331.db2.gz UZEYCZIXTXYYPD-WFASDCNBSA-N 0 3 273.380 2.037 10 0 CEAEHN Cc1ccncc1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000227953808 370389292 /nfs/dbraw/zinc/38/92/92/370389292.db2.gz ZJZUQBPFQDKIOY-GDBMZVCRSA-N 0 3 259.397 2.449 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCOCC(F)F)c1C ZINC000231689339 370491263 /nfs/dbraw/zinc/49/12/63/370491263.db2.gz PUJFUWLMSTZLMV-SECBINFHSA-N 0 3 275.343 2.452 10 0 CEAEHN CC[C@@H](CC(=O)N[C@H](CN)C(F)(F)F)C(C)(C)C ZINC000638396105 370497040 /nfs/dbraw/zinc/49/70/40/370497040.db2.gz HBLHNAYYXZFJPR-DTWKUNHWSA-N 0 3 268.323 2.455 10 0 CEAEHN CCOc1cc(CNCCn2cc(C)cn2)ccc1O ZINC000233784653 370523655 /nfs/dbraw/zinc/52/36/55/370523655.db2.gz VESIXDQAMFLNHR-UHFFFAOYSA-N 0 3 275.352 2.086 10 0 CEAEHN CC(=O)c1ccccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246836618 371018146 /nfs/dbraw/zinc/01/81/46/371018146.db2.gz DYNXPXYMIJWEKV-BLLLJJGKSA-N 0 3 288.391 2.348 10 0 CEAEHN Cc1nc(CN2CCN3CCC[C@H]3C2)nc2ccccc12 ZINC000247051860 371055802 /nfs/dbraw/zinc/05/58/02/371055802.db2.gz GGBFKSQCUNATPD-AWEZNQCLSA-N 0 3 282.391 2.218 10 0 CEAEHN COC[C@@H](C)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247354580 371097917 /nfs/dbraw/zinc/09/79/17/371097917.db2.gz GWWFZLHLWBJQMY-ZIAGYGMSSA-N 0 3 298.452 2.088 10 0 CEAEHN COc1cc(C)sc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247124174 371067925 /nfs/dbraw/zinc/06/79/25/371067925.db2.gz ZCDHRRZOCPRPCW-PWSUYJOCSA-N 0 3 294.420 2.374 10 0 CEAEHN CCC1(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCC1 ZINC000247362827 371098654 /nfs/dbraw/zinc/09/86/54/371098654.db2.gz OQRDKCZILUISOJ-OLZOCXBDSA-N 0 3 252.402 2.412 10 0 CEAEHN CC(C)CCO[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247459342 371110723 /nfs/dbraw/zinc/11/07/23/371110723.db2.gz UHBNLBDQRBOZBY-RBSFLKMASA-N 0 3 284.444 2.283 10 0 CEAEHN Cc1csc([C@@H](C)NC(=O)N2CCN3CCC[C@H]3C2)n1 ZINC000247496024 371116311 /nfs/dbraw/zinc/11/63/11/371116311.db2.gz MREXONKPCDSSCB-NEPJUHHUSA-N 0 3 294.424 2.002 10 0 CEAEHN Cc1ccccc1[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000248001265 371153536 /nfs/dbraw/zinc/15/35/36/371153536.db2.gz KKRNMBPMHJKKCQ-XHSDSOJGSA-N 0 3 276.424 2.443 10 0 CEAEHN CN[C@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000054072917 541841075 /nfs/dbraw/zinc/84/10/75/541841075.db2.gz UEVBJEZPQMRBHJ-DTWKUNHWSA-N 0 3 285.185 2.234 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000054072920 541841140 /nfs/dbraw/zinc/84/11/40/541841140.db2.gz UEVBJEZPQMRBHJ-IUCAKERBSA-N 0 3 285.185 2.234 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([O-])c1 ZINC000248420733 371191803 /nfs/dbraw/zinc/19/18/03/371191803.db2.gz XJRMXAPXTQUDPO-KGLIPLIRSA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc([O-])c1 ZINC000248420733 371191805 /nfs/dbraw/zinc/19/18/05/371191805.db2.gz XJRMXAPXTQUDPO-KGLIPLIRSA-N 0 3 274.364 2.091 10 0 CEAEHN CC(C)(C)OC(=O)CCCN1CCN2CCCC[C@H]2C1 ZINC000248464859 371199265 /nfs/dbraw/zinc/19/92/65/371199265.db2.gz RFSKEWLHNNJTIX-AWEZNQCLSA-N 0 3 282.428 2.278 10 0 CEAEHN C[C@](O)(CN1CCN2CCCC[C@H]2C1)c1ccccc1 ZINC000248368393 371180603 /nfs/dbraw/zinc/18/06/03/371180603.db2.gz VDOVNDXQHKMBAO-IRXDYDNUSA-N 0 3 274.408 2.064 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@H]1c1c(C)n[nH]c1C ZINC000248659502 371233249 /nfs/dbraw/zinc/23/32/49/371233249.db2.gz VGOMHHSSFZLCLU-CABCVRRESA-N 0 3 295.427 2.341 10 0 CEAEHN Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)co1 ZINC000249073309 371290502 /nfs/dbraw/zinc/29/05/02/371290502.db2.gz MCHMNFOHARJTSW-MFKMUULPSA-N 0 3 250.342 2.047 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCCc3occc32)C1 ZINC000249766688 371360974 /nfs/dbraw/zinc/36/09/74/371360974.db2.gz PENGKYVEEHZFTF-JSGCOSHPSA-N 0 3 291.395 2.441 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCC(=O)OC(C)(C)C ZINC000252892866 371489104 /nfs/dbraw/zinc/48/91/04/371489104.db2.gz OVAZRVCOITZEIH-KGLIPLIRSA-N 0 3 282.428 2.277 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@H]2C1)c1ccccc1F ZINC000252649063 371462483 /nfs/dbraw/zinc/46/24/83/371462483.db2.gz OFXMXFHXCXUVOI-XJKSGUPXSA-N 0 3 278.371 2.029 10 0 CEAEHN COc1cccc([C@H](C)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1 ZINC000252652229 371462747 /nfs/dbraw/zinc/46/27/47/371462747.db2.gz IWZWRPRCVFVAOB-KKUMJFAQSA-N 0 3 292.423 2.143 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H](O)c1ccccc1 ZINC000252661642 371463571 /nfs/dbraw/zinc/46/35/71/371463571.db2.gz NJNKXOZYLOKOLR-HYVNUMGLSA-N 0 3 274.408 2.279 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)/C=C\c2ccc3ccccc3n2)C1 ZINC000255044313 371551382 /nfs/dbraw/zinc/55/13/82/371551382.db2.gz FFOOEIJFBSEVHB-YDZSZYSISA-N 0 3 295.386 2.411 10 0 CEAEHN CCSCc1cccc(NC(=O)C2(N)CCOCC2)c1 ZINC000261957273 371783961 /nfs/dbraw/zinc/78/39/61/371783961.db2.gz ZVSKUHZMGPQIBT-UHFFFAOYSA-N 0 3 294.420 2.386 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(C)c(Cl)c2)CCCN1 ZINC000643614775 373221294 /nfs/dbraw/zinc/22/12/94/373221294.db2.gz KSSAIDKPKKENHR-CQSZACIVSA-N 0 3 282.771 2.356 10 0 CEAEHN Clc1ccccc1-c1noc([C@H]2CNCCOC2)n1 ZINC000644511219 373504074 /nfs/dbraw/zinc/50/40/74/373504074.db2.gz HDAPTYMCGXHSGN-VIFPVBQESA-N 0 3 279.727 2.093 10 0 CEAEHN O=C(Nc1nc2ccccc2[nH]1)c1ccc2c(c1)CNC2 ZINC000156763149 284427922 /nfs/dbraw/zinc/42/79/22/284427922.db2.gz DDQIFMODFSWLKO-UHFFFAOYSA-N 0 3 278.315 2.418 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cc(Cl)ccc1F ZINC000282212543 375429816 /nfs/dbraw/zinc/42/98/16/375429816.db2.gz DMBASZHEDZPNTF-QPUJVOFHSA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)s1 ZINC000282469899 375492244 /nfs/dbraw/zinc/49/22/44/375492244.db2.gz UQHUKVPWNBHUDE-IONNQARKSA-N 0 3 258.774 2.158 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1ccc(F)c(F)c1 ZINC000282500704 375499390 /nfs/dbraw/zinc/49/93/90/375499390.db2.gz WRFVKEBOJVJWFT-IGJMFERPSA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@@H](NCc1nc2ccc(O)cc2o1)[C@H]1CCCOC1 ZINC000408522223 375509585 /nfs/dbraw/zinc/50/95/85/375509585.db2.gz FONOKSPUNVJGIU-MNOVXSKESA-N 0 3 276.336 2.438 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H]2CCc3cc(F)ccc32)C1 ZINC000165261676 541998296 /nfs/dbraw/zinc/99/82/96/541998296.db2.gz JGLWXVPGKKGILB-GOEBONIOSA-N 0 3 278.371 2.123 10 0 CEAEHN CC1CN(C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000261507484 190040030 /nfs/dbraw/zinc/04/00/30/190040030.db2.gz JATMKNWONXZBJS-UHFFFAOYSA-N 0 3 254.374 2.338 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)[C@H](CO)SC)c1C ZINC000300410276 379166910 /nfs/dbraw/zinc/16/69/10/379166910.db2.gz GJUZQBFQGQXXQH-NRUUGDAUSA-N 0 3 285.457 2.283 10 0 CEAEHN Cc1ccccc1[C@H](C)NCc1cc(=O)n2nccc2[nH]1 ZINC000181535465 542273830 /nfs/dbraw/zinc/27/38/30/542273830.db2.gz AAYDSLJFUXASCQ-LBPRGKRZSA-N 0 3 282.347 2.182 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C\c2scnc2C)C1 ZINC000492717845 380665423 /nfs/dbraw/zinc/66/54/23/380665423.db2.gz RRLBBIQHBAEPCU-DGMVEKRQSA-N 0 3 279.409 2.065 10 0 CEAEHN CC(C)CN(CC(C)C)C(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000183148465 542287324 /nfs/dbraw/zinc/28/73/24/542287324.db2.gz TXTQSHGFYJOHBZ-HUUCEWRRSA-N 0 3 284.444 2.284 10 0 CEAEHN Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183171815 542287602 /nfs/dbraw/zinc/28/76/02/542287602.db2.gz IGQPLFKQSPYWJZ-DZKIICNBSA-N 0 3 290.407 2.157 10 0 CEAEHN C[C@@H](NCC(=O)N(C)CC1CCCCC1)[C@H]1CCCO1 ZINC000183109762 542287840 /nfs/dbraw/zinc/28/78/40/542287840.db2.gz PDQLTLPHUDSPMI-UKRRQHHQSA-N 0 3 282.428 2.182 10 0 CEAEHN c1cn(C[C@H]2CCCN2Cc2cccc3c2OCO3)cn1 ZINC000188414976 542322413 /nfs/dbraw/zinc/32/24/13/542322413.db2.gz DMWXHUZQYNFQRX-CQSZACIVSA-N 0 3 285.347 2.276 10 0 CEAEHN CCN1C(=O)CC[C@@H](N)[C@@H]1c1ccc(C)c(F)c1 ZINC000070985584 184574478 /nfs/dbraw/zinc/57/44/78/184574478.db2.gz HAUKLLVIPBBWND-OCCSQVGLSA-N 0 3 250.317 2.145 10 0 CEAEHN CCNCc1ccc(CC)c(S(=O)(=O)N2CCCC2)c1 ZINC000088905499 184613976 /nfs/dbraw/zinc/61/39/76/184613976.db2.gz FUAYBCFLHDQPKF-UHFFFAOYSA-N 0 3 296.436 2.143 10 0 CEAEHN Cc1cc(C)cc(N(C)C[C@@H]2Cc3nc[nH]c3CN2)c1 ZINC000092799193 184627698 /nfs/dbraw/zinc/62/76/98/184627698.db2.gz YQPNYCPEOYKMJK-ZDUSSCGKSA-N 0 3 270.380 2.177 10 0 CEAEHN CCN[C@H]1c2cc(OC)ccc2C[C@H]1OCCOCC ZINC000092840066 184631223 /nfs/dbraw/zinc/63/12/23/184631223.db2.gz BUQWFZBHVMEKMB-CVEARBPZSA-N 0 3 279.380 2.324 10 0 CEAEHN CC[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCCO1 ZINC000281277692 195177346 /nfs/dbraw/zinc/17/73/46/195177346.db2.gz GEZPPSYRFTXGST-DLBZAZTESA-N 0 3 293.407 2.065 10 0 CEAEHN CCCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1C ZINC000081922543 177895700 /nfs/dbraw/zinc/89/57/00/177895700.db2.gz HNHQPTVYGQANGB-ZDUSSCGKSA-N 0 3 269.410 2.465 10 0 CEAEHN Cc1cc([C@H](N)C[C@H](C)CC(N)=O)c(F)cc1F ZINC000094069189 184753394 /nfs/dbraw/zinc/75/33/94/184753394.db2.gz ACMXUDLUMBFOKL-JVXZTZIISA-N 0 3 256.296 2.175 10 0 CEAEHN CCN[C@H](c1cnn(C)c1)[C@@H]1CCc2cccnc21 ZINC000094135798 184755981 /nfs/dbraw/zinc/75/59/81/184755981.db2.gz XGPFCTBNPCTPNK-UKRRQHHQSA-N 0 3 256.353 2.196 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000094233317 184766898 /nfs/dbraw/zinc/76/68/98/184766898.db2.gz WPCLLHABSIDNSS-OAHLLOKOSA-N 0 3 270.336 2.210 10 0 CEAEHN CN(C)CCSCc1cc2ccccc2[nH]c1=NN ZINC000095020925 184917432 /nfs/dbraw/zinc/91/74/32/184917432.db2.gz XBYSJGBSKSGHSV-UHFFFAOYSA-N 0 3 276.409 2.315 10 0 CEAEHN C[S@](=O)Cc1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000262445035 131221101 /nfs/dbraw/zinc/22/11/01/131221101.db2.gz CDMQVGHSIWYYDS-FQEVSTJZSA-N 0 3 294.420 2.165 10 0 CEAEHN C[C@H]1CC[C@@H](C(N)=O)CN1c1ccccc1CNC1CC1 ZINC000042438248 134894201 /nfs/dbraw/zinc/89/42/01/134894201.db2.gz VSJWVZPUTJEZSV-GXTWGEPZSA-N 0 3 287.407 2.029 10 0 CEAEHN C[C@H]1CNCCN1c1ccccc1OC(F)(F)F ZINC000083433806 135020920 /nfs/dbraw/zinc/02/09/20/135020920.db2.gz CENBOVOQEHEBJQ-VIFPVBQESA-N 0 3 260.259 2.383 10 0 CEAEHN C[C@@H]1c2ccsc2CCN1c1ccc(N)c(N)n1 ZINC000094260261 135084685 /nfs/dbraw/zinc/08/46/85/135084685.db2.gz WVKZXNULPLAEKZ-MRVPVSSYSA-N 0 3 260.366 2.431 10 0 CEAEHN NC(=S)c1cc(F)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094440037 135087737 /nfs/dbraw/zinc/08/77/37/135087737.db2.gz YAVOFMWYQIHXBU-GFCCVEGCSA-N 0 3 293.411 2.134 10 0 CEAEHN CCc1c(Cl)nc(C)nc1N1CCN2CCC[C@H]2C1 ZINC000246250194 394512319 /nfs/dbraw/zinc/51/23/19/394512319.db2.gz WPZZGUMMUCVJCZ-NSHDSACASA-N 0 3 280.803 2.285 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@@H](C)COCc1ccccc1 ZINC000236864668 394487059 /nfs/dbraw/zinc/48/70/59/394487059.db2.gz CBVAJYZQEKWMHC-HIFRSBDPSA-N 0 3 278.396 2.083 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1cc(Cl)ccc1OC ZINC000236878512 394488616 /nfs/dbraw/zinc/48/86/16/394488616.db2.gz ZFAFEIXWMJTFQE-NSHDSACASA-N 0 3 270.760 2.092 10 0 CEAEHN Cc1cc(C)cc(OC[C@@H](O)CN2CCS[C@@H](C)C2)c1 ZINC000245811480 394505247 /nfs/dbraw/zinc/50/52/47/394505247.db2.gz HECAOFFSIIXPOM-GJZGRUSLSA-N 0 3 295.448 2.480 10 0 CEAEHN Nc1c(F)cccc1CN1CCN2CCCC[C@H]2C1 ZINC000250791788 394564981 /nfs/dbraw/zinc/56/49/81/394564981.db2.gz RUGTYEBUVPCJBI-ZDUSSCGKSA-N 0 3 263.360 2.078 10 0 CEAEHN OC[C@@H]1C[C@H]1N[C@@H]1CCc2c1cccc2Br ZINC000309649267 394531882 /nfs/dbraw/zinc/53/18/82/394531882.db2.gz RZVKXMZDTTWYNO-ZEGGKSINSA-N 0 3 282.181 2.407 10 0 CEAEHN C[C@H](O)CN1CCN([C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000247545152 394532324 /nfs/dbraw/zinc/53/23/24/394532324.db2.gz DKVFBWRLWPERIN-MPGHIAIKSA-N 0 3 288.435 2.451 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CCC[C@H]2O)c1C ZINC000323903887 394549422 /nfs/dbraw/zinc/54/94/22/394549422.db2.gz YYZLAKRJCRAIDE-ZWKOPEQDSA-N 0 3 251.374 2.084 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCOCC(F)(F)F ZINC000083704449 394640377 /nfs/dbraw/zinc/64/03/77/394640377.db2.gz IUDHUKUHCBPHOW-NWDGAFQWSA-N 0 3 280.334 2.124 10 0 CEAEHN Cc1oc2ccccc2c1CN[C@H]1CCC(=O)N[C@@H]1C ZINC000281883586 394868205 /nfs/dbraw/zinc/86/82/05/394868205.db2.gz XKZGTGMXIMTZID-YGRLFVJLSA-N 0 3 272.348 2.498 10 0 CEAEHN CCOC(=O)CCCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152295295 394992540 /nfs/dbraw/zinc/99/25/40/394992540.db2.gz SMTSJVHBMKAKTR-HNNXBMFYSA-N 0 3 292.379 2.268 10 0 CEAEHN CC(C)CC1(C(=O)N2CCO[C@H](CN(C)C)C2)CCCC1 ZINC000155251311 395026542 /nfs/dbraw/zinc/02/65/42/395026542.db2.gz AOUWKDXJBYWPPK-OAHLLOKOSA-N 0 3 296.455 2.382 10 0 CEAEHN CCCCO[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158880594 395056914 /nfs/dbraw/zinc/05/69/14/395056914.db2.gz LNVFTXXNDBAEGS-MJBXVCDLSA-N 0 3 270.417 2.037 10 0 CEAEHN CC(C)n1cncc1CN1CCC[C@@H]1C(C)(C)O ZINC000425331557 395059256 /nfs/dbraw/zinc/05/92/56/395059256.db2.gz BSTONQWPNJIIEH-CYBMUJFWSA-N 0 3 251.374 2.199 10 0 CEAEHN CCN1CCC[C@@H](NCc2cn(C)nc2C(C)(C)C)C1 ZINC000158139241 395038469 /nfs/dbraw/zinc/03/84/69/395038469.db2.gz RKZPGEBGIIBKHU-CQSZACIVSA-N 0 3 278.444 2.292 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000174077567 395120000 /nfs/dbraw/zinc/12/00/00/395120000.db2.gz IRFPEBXCPMXEFP-SJLPKXTDSA-N 0 3 288.435 2.453 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCCC2(C)C)[C@@H](C)C1 ZINC000176689677 395142437 /nfs/dbraw/zinc/14/24/37/395142437.db2.gz WFROSAUYJQHLLV-STQMWFEESA-N 0 3 267.417 2.299 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1nc(C)sc1C ZINC000178797194 395175187 /nfs/dbraw/zinc/17/51/87/395175187.db2.gz BAGGJMKKFFTYSD-QWHCGFSZSA-N 0 3 293.436 2.459 10 0 CEAEHN CC1CCC(NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000350028356 395179598 /nfs/dbraw/zinc/17/95/98/395179598.db2.gz UMOCFYIOZANJEN-RUXDESIVSA-N 0 3 265.401 2.055 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccns1 ZINC000404287911 395281085 /nfs/dbraw/zinc/28/10/85/395281085.db2.gz JANUJMYPZLVPDA-NWDGAFQWSA-N 0 3 251.399 2.202 10 0 CEAEHN COc1c(C)cnc(CN2CCC[C@@H](O)[C@@H]2C)c1C ZINC000295822982 395302231 /nfs/dbraw/zinc/30/22/31/395302231.db2.gz CAKAYZVVKDHGLZ-GXTWGEPZSA-N 0 3 264.369 2.052 10 0 CEAEHN CC1(C)CN[C@@H]1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000649317745 396119747 /nfs/dbraw/zinc/11/97/47/396119747.db2.gz PZOMSKFDZVQBJI-GHMZBOCLSA-N 0 3 279.409 2.195 10 0 CEAEHN CCN1CC[C@@H](Nc2ncc(Br)cc2F)C1 ZINC000389301528 400537148 /nfs/dbraw/zinc/53/71/48/400537148.db2.gz ZSQBBXWWSGLLLK-SECBINFHSA-N 0 3 288.164 2.489 10 0 CEAEHN O[C@@H]1CCC[C@@H](CN2CCN(C3CCCC3)CC2)C1 ZINC000389419118 400538480 /nfs/dbraw/zinc/53/84/80/400538480.db2.gz NAEASKONXNNBHS-GDBMZVCRSA-N 0 3 266.429 2.098 10 0 CEAEHN COCc1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000192526358 153210592 /nfs/dbraw/zinc/21/05/92/153210592.db2.gz MXXIXNOUOUHVMP-OAHLLOKOSA-N 0 3 289.379 2.145 10 0 CEAEHN CSc1ccccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000195310901 153283282 /nfs/dbraw/zinc/28/32/82/153283282.db2.gz CQWHYOIOYRRRJT-LBPRGKRZSA-N 0 3 276.405 2.329 10 0 CEAEHN Cc1c(CNc2nc3ccc(F)cc3[nH]2)cnn1C ZINC000225820085 153326088 /nfs/dbraw/zinc/32/60/88/153326088.db2.gz QBOUEAHTIMBXMQ-UHFFFAOYSA-N 0 3 259.288 2.356 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2ccc(Cl)s2)n1 ZINC000263140689 154023901 /nfs/dbraw/zinc/02/39/01/154023901.db2.gz CHRXVXLRBYELLK-ZETCQYMHSA-N 0 3 284.772 2.028 10 0 CEAEHN CC[C@@H]([NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1)C(C)C ZINC000263462554 154096916 /nfs/dbraw/zinc/09/69/16/154096916.db2.gz CALIRCJDKVCSOP-YMAMQOFZSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@@H](NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1)C(C)C ZINC000263462554 154096924 /nfs/dbraw/zinc/09/69/24/154096924.db2.gz CALIRCJDKVCSOP-YMAMQOFZSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@@H](NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C(C)C ZINC000263462554 154096931 /nfs/dbraw/zinc/09/69/31/154096931.db2.gz CALIRCJDKVCSOP-YMAMQOFZSA-N 0 3 282.428 2.338 10 0 CEAEHN CCN1CCC[C@@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000167069866 165036454 /nfs/dbraw/zinc/03/64/54/165036454.db2.gz ISVFCYRXGXWGKV-SECBINFHSA-N 0 3 274.290 2.392 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1nc2ccccc2n1C ZINC000169150647 165036833 /nfs/dbraw/zinc/03/68/33/165036833.db2.gz DGFYOKJDJJXTRD-COPLHBTASA-N 0 3 288.395 2.124 10 0 CEAEHN Fc1ccc(OCCN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171615556 165049238 /nfs/dbraw/zinc/04/92/38/165049238.db2.gz DALHNHTUAYSMKQ-CQSZACIVSA-N 0 3 290.342 2.133 10 0 CEAEHN O=C(NC[C@H]1CCc2ccccc21)N1CCN2CCC[C@@H]2C1 ZINC000171909353 165053452 /nfs/dbraw/zinc/05/34/52/165053452.db2.gz TXNXBWXTDRFJTN-HZPDHXFCSA-N 0 3 299.418 2.206 10 0 CEAEHN CCCCCC(C)(C)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175421079 165132763 /nfs/dbraw/zinc/13/27/63/165132763.db2.gz YCWQADKNCUHEBE-CQSZACIVSA-N 0 3 284.444 2.382 10 0 CEAEHN CCN1CCC[C@H]1CN(C)S(=O)(=O)CCC(C)(C)C ZINC000175392787 165134146 /nfs/dbraw/zinc/13/41/46/165134146.db2.gz IUBSHGCLNNUPBC-ZDUSSCGKSA-N 0 3 290.473 2.169 10 0 CEAEHN CCCC[C@@H](CCC)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000175984162 165151344 /nfs/dbraw/zinc/15/13/44/165151344.db2.gz WYYMRQQRVQVQSS-CABCVRRESA-N 0 3 299.459 2.317 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)C ZINC000177428021 165201013 /nfs/dbraw/zinc/20/10/13/165201013.db2.gz MSNWUIPLDMVAPQ-GFCCVEGCSA-N 0 3 255.406 2.158 10 0 CEAEHN COCCC[C@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000178076431 165221387 /nfs/dbraw/zinc/22/13/87/165221387.db2.gz XGSKLOOQPWYGGS-RYUDHWBXSA-N 0 3 266.389 2.080 10 0 CEAEHN O=c1ccc(-c2cccs2)nn1CCN1CCCCC1 ZINC000005388130 170093472 /nfs/dbraw/zinc/09/34/72/170093472.db2.gz VGGRLVLDVRNAEI-UHFFFAOYSA-N 0 3 289.404 2.458 10 0 CEAEHN c1ccc2c(c1)OCC[C@H]2N[C@H]1CN2CCC1CC2 ZINC000019948194 170937986 /nfs/dbraw/zinc/93/79/86/170937986.db2.gz ANSKTMYYUUDPIP-CABCVRRESA-N 0 3 258.365 2.194 10 0 CEAEHN NC[C@@H](c1cccc(Cl)c1)N1CCC(CO)CC1 ZINC000020179060 171044215 /nfs/dbraw/zinc/04/42/15/171044215.db2.gz NICYJZVUQYVQIH-AWEZNQCLSA-N 0 3 268.788 2.044 10 0 CEAEHN COc1ccc(OC)c([C@H](CN)N(C)CC(C)C)c1 ZINC000020226463 171091218 /nfs/dbraw/zinc/09/12/18/171091218.db2.gz GAPVKNHVFMGMDX-AWEZNQCLSA-N 0 3 266.385 2.291 10 0 CEAEHN COc1ccc([C@@H](CN)N(C)CC2CC2)c(OC)c1 ZINC000020226494 171092264 /nfs/dbraw/zinc/09/22/64/171092264.db2.gz BONIMEAXPLCTQV-CQSZACIVSA-N 0 3 264.369 2.045 10 0 CEAEHN CNC(=O)[C@@H](C)NCCc1ccc(Cl)cc1Cl ZINC000020308949 171143435 /nfs/dbraw/zinc/14/34/35/171143435.db2.gz ZVDQAGNDAYVVRN-MRVPVSSYSA-N 0 3 275.179 2.260 10 0 CEAEHN COc1ccc(CCN[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000020315025 171145313 /nfs/dbraw/zinc/14/53/13/171145313.db2.gz BLDJXGRMSUUEJF-GFCCVEGCSA-N 0 3 278.396 2.131 10 0 CEAEHN COc1ccc([C@@H](N)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000020431214 171196218 /nfs/dbraw/zinc/19/62/18/171196218.db2.gz OCSQZRHOXURDTB-QGZVFWFLSA-N 0 3 282.343 2.262 10 0 CEAEHN NC(=O)C[C@@H](N)c1cccc(Oc2ccccc2)c1 ZINC000020577912 171256272 /nfs/dbraw/zinc/25/62/72/171256272.db2.gz XZJBDQKUGQSVBJ-CQSZACIVSA-N 0 3 256.305 2.354 10 0 CEAEHN CCc1ccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022161526 171364045 /nfs/dbraw/zinc/36/40/45/171364045.db2.gz LUMMBBHADOSUPE-HEHGZKQESA-N 0 3 262.397 2.358 10 0 CEAEHN COc1ccc([C@H](CN)N2CCCC2)cc1OC(F)F ZINC000022173042 171368567 /nfs/dbraw/zinc/36/85/67/171368567.db2.gz SLHISBQKWOODTN-NSHDSACASA-N 0 3 286.322 2.392 10 0 CEAEHN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccccc1CN ZINC000022177192 171370753 /nfs/dbraw/zinc/37/07/53/171370753.db2.gz WFTNUEOUTXDLMM-RYUDHWBXSA-N 0 3 282.409 2.097 10 0 CEAEHN COc1ccc(CCNC2=N[C@@H](C)CS2)cc1OC ZINC000035294373 172106007 /nfs/dbraw/zinc/10/60/07/172106007.db2.gz DVPJKNZUQNAWJU-JTQLQIEISA-N 0 3 280.393 2.327 10 0 CEAEHN CN[C@H](c1ccc(OC)cc1OC)[C@@H]1CCCO1 ZINC000035489006 172223754 /nfs/dbraw/zinc/22/37/54/172223754.db2.gz NSHIZNZEGLYOGS-GXTWGEPZSA-N 0 3 251.326 2.143 10 0 CEAEHN CC[C@@H](C)NS(=O)(=O)c1cccc([C@@H](C)NC)c1 ZINC000035632853 172315823 /nfs/dbraw/zinc/31/58/23/172315823.db2.gz ZMZRIPODIDKKCX-GHMZBOCLSA-N 0 3 270.398 2.044 10 0 CEAEHN CNCc1c(C)nn(C)c1N(C)Cc1cccs1 ZINC000035718006 172372132 /nfs/dbraw/zinc/37/21/32/172372132.db2.gz IGVFNSSXBWLMMJ-UHFFFAOYSA-N 0 3 264.398 2.146 10 0 CEAEHN C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)c1ccco1 ZINC000035738319 172391441 /nfs/dbraw/zinc/39/14/41/172391441.db2.gz HBGVXURSXVGERL-DGCLKSJQSA-N 0 3 258.321 2.027 10 0 CEAEHN CNCc1ccccc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000036280827 172571492 /nfs/dbraw/zinc/57/14/92/172571492.db2.gz NOGRPUVRWZRSPA-MRXNPFEDSA-N 0 3 282.343 2.348 10 0 CEAEHN Cc1nn(C)c(N(C)C2CCCCCC2)c1CN ZINC000036328838 172613084 /nfs/dbraw/zinc/61/30/84/172613084.db2.gz JTKDSAPDJPZVLQ-UHFFFAOYSA-N 0 3 250.390 2.346 10 0 CEAEHN CC(C)CN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037186725 173017285 /nfs/dbraw/zinc/01/72/85/173017285.db2.gz FGQFKDNRMYZLAP-GFCCVEGCSA-N 0 3 253.367 2.151 10 0 CEAEHN CC(C)c1nn(C)cc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000037243010 173059198 /nfs/dbraw/zinc/05/91/98/173059198.db2.gz BYDRHDLIPZNENJ-AAEUAGOBSA-N 0 3 251.374 2.201 10 0 CEAEHN COc1ccc2ccccc2c1CNCCNC(C)=O ZINC000037247888 173060480 /nfs/dbraw/zinc/06/04/80/173060480.db2.gz BEECILBFXXBRTF-UHFFFAOYSA-N 0 3 272.348 2.074 10 0 CEAEHN COC(=O)CCN[C@H]1CSCc2ccccc21 ZINC000037252326 173064683 /nfs/dbraw/zinc/06/46/83/173064683.db2.gz BOIJDRYUUSDOGV-LBPRGKRZSA-N 0 3 251.351 2.127 10 0 CEAEHN Cc1ccc(NC(=O)CN(C)C2CCCC2)cc1N ZINC000037273270 173085722 /nfs/dbraw/zinc/08/57/22/173085722.db2.gz QCOMXCRIPGYOKZ-UHFFFAOYSA-N 0 3 261.369 2.390 10 0 CEAEHN COC(=O)c1ccc(CN[C@H](CC(C)C)CN(C)C)o1 ZINC000037321712 173122812 /nfs/dbraw/zinc/12/28/12/173122812.db2.gz LOOQXZBZZLGYJK-GFCCVEGCSA-N 0 3 282.384 2.132 10 0 CEAEHN CCCn1c2ccccc2nc1[C@@H]1C[C@H](OC)CN1 ZINC000037323592 173124257 /nfs/dbraw/zinc/12/42/57/173124257.db2.gz PNBRCDTVTTVGHH-AAEUAGOBSA-N 0 3 259.353 2.496 10 0 CEAEHN N[C@@H](c1ccc2c(c1)CCCC(=O)N2)[C@@H]1CCCO1 ZINC000037371263 173159812 /nfs/dbraw/zinc/15/98/12/173159812.db2.gz BUDRZFXYHQFPGC-ZFWWWQNUSA-N 0 3 260.337 2.140 10 0 CEAEHN CC(C)NCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037395998 173176110 /nfs/dbraw/zinc/17/61/10/173176110.db2.gz XONUZOSLPDHINH-NXEZZACHSA-N 0 3 266.307 2.222 10 0 CEAEHN CSCC[C@@H](N)c1nc2cc(F)ccc2n1C ZINC000037439282 173209836 /nfs/dbraw/zinc/20/98/36/173209836.db2.gz LFRGREJYBADMSA-SECBINFHSA-N 0 3 253.346 2.465 10 0 CEAEHN C[C@H](N)c1nc2cc(Br)ccc2n1C ZINC000037441282 173211084 /nfs/dbraw/zinc/21/10/84/173211084.db2.gz JOFIJYGFOWYIKJ-LURJTMIESA-N 0 3 254.131 2.356 10 0 CEAEHN CC(C)N[C@@](C)(C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037446513 173213741 /nfs/dbraw/zinc/21/37/41/173213741.db2.gz QXGAATLWMPOBFP-OAHLLOKOSA-N 0 3 264.369 2.172 10 0 CEAEHN CCCN[C@@](C)(C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037513834 173244997 /nfs/dbraw/zinc/24/49/97/173244997.db2.gz JTWUPDQEBQTINQ-OAHLLOKOSA-N 0 3 264.369 2.174 10 0 CEAEHN Cc1ccc(Cl)cc1NC(=O)CNC[C@@H]1CCOC1 ZINC000038094261 174107617 /nfs/dbraw/zinc/10/76/17/174107617.db2.gz UADBHQYURBFHLV-NSHDSACASA-N 0 3 282.771 2.213 10 0 CEAEHN OC[C@@H](NC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000038114821 174125224 /nfs/dbraw/zinc/12/52/24/174125224.db2.gz VUYGGWMYBCQYAK-CHWSQXEVSA-N 0 3 255.745 2.142 10 0 CEAEHN CNCc1nc2ccc(Cl)cc2n1CCCOC ZINC000040402976 174253562 /nfs/dbraw/zinc/25/35/62/174253562.db2.gz BRFNWOWBDDMOTA-UHFFFAOYSA-N 0 3 267.760 2.446 10 0 CEAEHN C[C@H](N)c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495020 174293817 /nfs/dbraw/zinc/29/38/17/174293817.db2.gz WEEMWYVQBRTDRG-JTQLQIEISA-N 0 3 270.398 2.031 10 0 CEAEHN Cc1ccc(OC[C@@H](C)N[C@H](C)C(=O)N2CCCC2)cc1 ZINC000040499960 174296674 /nfs/dbraw/zinc/29/66/74/174296674.db2.gz UUOHLQMAQYHUHC-HUUCEWRRSA-N 0 3 290.407 2.363 10 0 CEAEHN Nc1c(Nc2ccncc2)ncnc1Nc1ccncc1 ZINC000040687480 174375686 /nfs/dbraw/zinc/37/56/86/174375686.db2.gz BEBZOWWDOAVUDC-UHFFFAOYSA-N 0 3 279.307 2.336 10 0 CEAEHN NCc1cccc(NC(=O)Nc2ccc(CCO)cc2)c1 ZINC000040739328 174390008 /nfs/dbraw/zinc/39/00/08/174390008.db2.gz QTHBDDDFHFBOSV-UHFFFAOYSA-N 0 3 285.347 2.324 10 0 CEAEHN O=C(NCCN1CCCCCC1)[C@@H]1Cc2ccccc2N1 ZINC000040768186 174398661 /nfs/dbraw/zinc/39/86/61/174398661.db2.gz RUYKCYFIXSDMST-INIZCTEOSA-N 0 3 287.407 2.015 10 0 CEAEHN COc1ccc(Cl)cc1Cn1cc(C(C)(C)N)nn1 ZINC000070118087 414764932 /nfs/dbraw/zinc/76/49/32/414764932.db2.gz DOYZYEIRKNPVOK-UHFFFAOYSA-N 0 3 280.759 2.182 10 0 CEAEHN CNCc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000041079102 174473009 /nfs/dbraw/zinc/47/30/09/174473009.db2.gz GSKSPYKOUZLLBY-JTQLQIEISA-N 0 3 255.745 2.475 10 0 CEAEHN COc1cccnc1NCCCNCc1cccnc1 ZINC000128350534 414809882 /nfs/dbraw/zinc/80/98/82/414809882.db2.gz ISMALNSNKGUNJJ-UHFFFAOYSA-N 0 3 272.352 2.077 10 0 CEAEHN CN(C(=O)CCC1CCCC1)[C@H](CN)C(F)(F)F ZINC000662978671 414816575 /nfs/dbraw/zinc/81/65/75/414816575.db2.gz QZEZZVFGFXWJCA-SNVBAGLBSA-N 0 3 266.307 2.305 10 0 CEAEHN C[C@@H]1CCC[C@H](C(=O)N(C)[C@@H](CN)C(F)(F)F)C1 ZINC000662976518 414817543 /nfs/dbraw/zinc/81/75/43/414817543.db2.gz GALUPSVXRPPYSH-UTLUCORTSA-N 0 3 266.307 2.161 10 0 CEAEHN OCC1CC(NCc2ccc(F)c(Br)c2)C1 ZINC000657808409 415086838 /nfs/dbraw/zinc/08/68/38/415086838.db2.gz ISZGUFNEWMWDQM-UHFFFAOYSA-N 0 3 288.160 2.449 10 0 CEAEHN CCCN[C@@H](c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301364 175002061 /nfs/dbraw/zinc/00/20/61/175002061.db2.gz POVJDMFXHUGOIZ-ZFWWWQNUSA-N 0 3 297.420 2.171 10 0 CEAEHN CCCN[C@@H]1CCN(c2cccc(F)c2C)C1=O ZINC000043321322 175005950 /nfs/dbraw/zinc/00/59/50/175005950.db2.gz PSHFQSRYJFNIDG-GFCCVEGCSA-N 0 3 250.317 2.239 10 0 CEAEHN C[C@H](N)[C@@H](c1ccccn1)N(C)Cc1cscn1 ZINC000043341212 175015261 /nfs/dbraw/zinc/01/52/61/175015261.db2.gz BZCCYLGTQDOLAA-GWCFXTLKSA-N 0 3 262.382 2.058 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)o1)N1CCOC[C@@H]1C ZINC000043364177 175025006 /nfs/dbraw/zinc/02/50/06/175025006.db2.gz YFYZDLWKUVLLJN-SUHUHFCYSA-N 0 3 252.358 2.087 10 0 CEAEHN Cc1ccc([C@@H](CN)N(CCO)C2CCCCC2)o1 ZINC000043365188 175026282 /nfs/dbraw/zinc/02/62/82/175026282.db2.gz OKDJSKHQZYJNRI-CQSZACIVSA-N 0 3 266.385 2.215 10 0 CEAEHN NC[C@@H](c1ccc(Cl)c(F)c1)N1CCN(C2CC2)CC1 ZINC000043390527 175033844 /nfs/dbraw/zinc/03/38/44/175033844.db2.gz NHINNXXOOLHKPG-HNNXBMFYSA-N 0 3 297.805 2.259 10 0 CEAEHN Cc1cc(C)cc([C@@H](CN)N2CCOCC2(C)C)c1 ZINC000043394354 175035181 /nfs/dbraw/zinc/03/51/81/175035181.db2.gz SEZROVDCYBZZDS-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN CCOc1ccccc1[C@@H](CN1CCC(OC)CC1)NC ZINC000043890023 175117638 /nfs/dbraw/zinc/11/76/38/175117638.db2.gz LAILMAVSXNENIU-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N(C)CC(F)(F)F ZINC000043900815 175122200 /nfs/dbraw/zinc/12/22/00/175122200.db2.gz YDLLVGDDBTVYBR-PWSUYJOCSA-N 0 3 274.286 2.202 10 0 CEAEHN CN[C@@H](CN(C)C[C@@H]1CCCCO1)c1ccccc1OC ZINC000043966378 175127930 /nfs/dbraw/zinc/12/79/30/175127930.db2.gz ALDSHMCMMUNWLI-HOCLYGCPSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@H]1c2ccccc2OC[C@@H]1N(C)[C@@H](C)COC ZINC000043969533 175130538 /nfs/dbraw/zinc/13/05/38/175130538.db2.gz ONJLETLKZPEUNQ-QRTARXTBSA-N 0 3 292.423 2.455 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N(CCOC)CC(C)C ZINC000043970311 175131018 /nfs/dbraw/zinc/13/10/18/175131018.db2.gz UKEWGFYPWUWHGB-WBVHZDCISA-N 0 3 292.423 2.313 10 0 CEAEHN CN[C@H](CN(CCOC)C1CC1)c1cccc(OC)c1 ZINC000043969695 175131285 /nfs/dbraw/zinc/13/12/85/175131285.db2.gz DBXQSMLNOABULK-MRXNPFEDSA-N 0 3 278.396 2.067 10 0 CEAEHN Cc1ccsc1[C@H](CN)N1CCO[C@H]2CCC[C@@H]21 ZINC000044420355 175173630 /nfs/dbraw/zinc/17/36/30/175173630.db2.gz RWZWYKKXHQRDDF-AVGNSLFASA-N 0 3 266.410 2.310 10 0 CEAEHN COc1ccc(NC(=O)[C@H](CN)Cc2ccccc2)cc1 ZINC000044793243 175254303 /nfs/dbraw/zinc/25/43/03/175254303.db2.gz NCYXCDCHBKCFLD-AWEZNQCLSA-N 0 3 284.359 2.451 10 0 CEAEHN Cc1cccc(NC(=O)[C@H](CN)Cc2ccccc2)n1 ZINC000044799243 175255075 /nfs/dbraw/zinc/25/50/75/175255075.db2.gz HKSRTYOZKBEVNU-AWEZNQCLSA-N 0 3 269.348 2.146 10 0 CEAEHN Cc1ccc(NC(=O)[C@H](CN)Cc2ccccc2)nc1 ZINC000044799274 175255232 /nfs/dbraw/zinc/25/52/32/175255232.db2.gz PZXZQVXMGDKKOJ-AWEZNQCLSA-N 0 3 269.348 2.146 10 0 CEAEHN C[C@@H](NC(=O)[C@H](CN)Cc1ccccc1)c1ccco1 ZINC000044801382 175255582 /nfs/dbraw/zinc/25/55/82/175255582.db2.gz DJRZSPISJIIOGR-OCCSQVGLSA-N 0 3 272.348 2.274 10 0 CEAEHN COCCNC(=O)[C@H](C)NCc1ccc(C(C)C)cc1 ZINC000045045082 175296329 /nfs/dbraw/zinc/29/63/29/175296329.db2.gz BLDRXJWNNLCHFD-ZDUSSCGKSA-N 0 3 278.396 2.051 10 0 CEAEHN CC[C@H](NC)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138179 175314919 /nfs/dbraw/zinc/31/49/19/175314919.db2.gz SJTDSYQBEAIXJS-KBPBESRZSA-N 0 3 296.436 2.434 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000045168981 175320179 /nfs/dbraw/zinc/32/01/79/175320179.db2.gz QDPAZATYQOWYMM-CWSCBRNRSA-N 0 3 251.374 2.255 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCCC(=O)OC)c1C ZINC000045171343 175321365 /nfs/dbraw/zinc/32/13/65/175321365.db2.gz CSJYOIZSXYXSCY-SNVBAGLBSA-N 0 3 267.373 2.124 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCn2ccnc2)c1C ZINC000045172258 175321481 /nfs/dbraw/zinc/32/14/81/175321481.db2.gz JFKBGIVMECKLFF-NSHDSACASA-N 0 3 261.373 2.067 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NCCN1CCCCC1 ZINC000045172597 175321692 /nfs/dbraw/zinc/32/16/92/175321692.db2.gz XQXGDCJDDUDSRD-LBPRGKRZSA-N 0 3 264.417 2.173 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCCC[C@@H]1C)NC(C)C ZINC000045226994 175333233 /nfs/dbraw/zinc/33/32/33/175333233.db2.gz WHWQXQIFYVJKQY-ZFWWWQNUSA-N 0 3 270.417 2.181 10 0 CEAEHN CCC[N@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C(C)C ZINC000045266880 175338967 /nfs/dbraw/zinc/33/89/67/175338967.db2.gz MNVINPXIWPDUPJ-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CCC[N@@H+](CC[C@](C)(NC1CC1)C(=O)[O-])C(C)C ZINC000045266880 175338969 /nfs/dbraw/zinc/33/89/69/175338969.db2.gz MNVINPXIWPDUPJ-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN[C@](C)(CN(CCC)C1CC1)C(=O)OCC ZINC000045267887 175339658 /nfs/dbraw/zinc/33/96/58/175339658.db2.gz KHDRXSCWMDEXTP-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN(CC)C[C@@](N)(C(=O)OCC)c1ccccc1 ZINC000045267430 175340290 /nfs/dbraw/zinc/34/02/90/175340290.db2.gz BASVZYWXZWZTTG-INIZCTEOSA-N 0 3 278.396 2.136 10 0 CEAEHN CCCCCN(C)C[C@@](C)(NC(C)C)C(=O)OC ZINC000045268160 175340532 /nfs/dbraw/zinc/34/05/32/175340532.db2.gz XDZHFANKMQAIIJ-CQSZACIVSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCN[C@@](C)(CC[N@H+](C)C(CC)CC)C(=O)[O-] ZINC000045269690 175341749 /nfs/dbraw/zinc/34/17/49/175341749.db2.gz YCNDGVBWGMXDLX-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@@](C)(CC[N@@H+](C)C(CC)CC)C(=O)[O-] ZINC000045269690 175341750 /nfs/dbraw/zinc/34/17/50/175341750.db2.gz YCNDGVBWGMXDLX-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)C(CC)CC)C(=O)[O-] ZINC000045269690 175341752 /nfs/dbraw/zinc/34/17/52/175341752.db2.gz YCNDGVBWGMXDLX-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269904 175341782 /nfs/dbraw/zinc/34/17/82/175341782.db2.gz TYEFGVBUDJZSBN-GXTWGEPZSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269904 175341784 /nfs/dbraw/zinc/34/17/84/175341784.db2.gz TYEFGVBUDJZSBN-GXTWGEPZSA-N 0 3 258.406 2.196 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000045269904 175341785 /nfs/dbraw/zinc/34/17/85/175341785.db2.gz TYEFGVBUDJZSBN-GXTWGEPZSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@@](C)(CN(C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045270264 175341799 /nfs/dbraw/zinc/34/17/99/175341799.db2.gz BEMLMNPBFUTURV-WFASDCNBSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN[C@@](C)(CN(CC(C)C)C1CC1)C(=O)OCC ZINC000045277491 175347450 /nfs/dbraw/zinc/34/74/50/175347450.db2.gz UJXCXYIIUCRNIJ-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCOC(=O)[C@@H](CN(C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045420967 175380296 /nfs/dbraw/zinc/38/02/96/175380296.db2.gz PJLJRWJFYPZWBZ-WCQYABFASA-N 0 3 270.417 2.037 10 0 CEAEHN Cc1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1F ZINC000061611250 175651707 /nfs/dbraw/zinc/65/17/07/175651707.db2.gz WFDIJZJDXWFESD-HNNXBMFYSA-N 0 3 286.350 2.493 10 0 CEAEHN CS(=O)(=O)c1ccc(CN[C@@H]2C[C@H]3CC=C[C@@H]32)cc1 ZINC000070141869 175873427 /nfs/dbraw/zinc/87/34/27/175873427.db2.gz HUVWKNMZNIFOIB-VHDGCEQUSA-N 0 3 277.389 2.144 10 0 CEAEHN CNCc1cnn(-c2cc(F)c(F)cc2F)c1C ZINC000070483505 175953670 /nfs/dbraw/zinc/95/36/70/175953670.db2.gz BUTOUXYJORDFTE-UHFFFAOYSA-N 0 3 255.243 2.317 10 0 CEAEHN C[C@@H](N)c1csc(NC(=O)CC(F)(F)F)n1 ZINC000070884908 176010192 /nfs/dbraw/zinc/01/01/92/176010192.db2.gz RORVMDYRHFJYFM-SCSAIBSYSA-N 0 3 253.249 2.054 10 0 CEAEHN c1csc(CCNC2=NC[C@H](C3CC3)S2)n1 ZINC000070889316 176010237 /nfs/dbraw/zinc/01/02/37/176010237.db2.gz URKZNQAUGYZQMR-SECBINFHSA-N 0 3 253.396 2.157 10 0 CEAEHN CCN[C@@H]1CCN(c2ccc(C)c(Br)c2)C1=O ZINC000070940852 176014687 /nfs/dbraw/zinc/01/46/87/176014687.db2.gz RHOKPFFGKXZHPG-GFCCVEGCSA-N 0 3 297.196 2.472 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc2cccnc21 ZINC000070987257 176018695 /nfs/dbraw/zinc/01/86/95/176018695.db2.gz JJFGVQYEHPKUJC-WMLDXEAASA-N 0 3 281.359 2.388 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccc2ncccc2c1 ZINC000070987267 176018741 /nfs/dbraw/zinc/01/87/41/176018741.db2.gz XBYYVNCGAAUONO-WMLDXEAASA-N 0 3 281.359 2.388 10 0 CEAEHN C[C@@H](Cc1ccccc1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071031361 176022676 /nfs/dbraw/zinc/02/26/76/176022676.db2.gz SRMZUWLFRWLRNP-XJKSGUPXSA-N 0 3 272.392 2.361 10 0 CEAEHN CCc1nc(N2CC[C@@H](NC(C)C)C2=O)sc1C ZINC000071032252 176023568 /nfs/dbraw/zinc/02/35/68/176023568.db2.gz YPRKWEAYMZZLIV-LLVKDONJSA-N 0 3 267.398 2.117 10 0 CEAEHN CC(C)N[C@H]1CCN(c2nc(C(C)C)cs2)C1=O ZINC000071033780 176024460 /nfs/dbraw/zinc/02/44/60/176024460.db2.gz SXTUNHDBCDODAF-JTQLQIEISA-N 0 3 267.398 2.370 10 0 CEAEHN CCCN[C@@H]1CCCN(c2nc(C)c(C)s2)C1=O ZINC000071037168 176026086 /nfs/dbraw/zinc/02/60/86/176026086.db2.gz TXGJMNVTRQEBDR-LLVKDONJSA-N 0 3 267.398 2.255 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1Cc1ccc(F)c(Cl)c1 ZINC000071042368 176028578 /nfs/dbraw/zinc/02/85/78/176028578.db2.gz GWFSZZYAKYHXND-CYBMUJFWSA-N 0 3 282.746 2.332 10 0 CEAEHN CCN[C@@H]1CCCN(c2cc(F)c(F)cc2F)C1=O ZINC000071042653 176028827 /nfs/dbraw/zinc/02/88/27/176028827.db2.gz WMQHAQQYGQYLHU-LLVKDONJSA-N 0 3 272.270 2.209 10 0 CEAEHN CCCN(CC(N)=S)C[C@@H]1OCCc2ccccc21 ZINC000071091338 176032297 /nfs/dbraw/zinc/03/22/97/176032297.db2.gz VLJLDMQQFRZCRE-AWEZNQCLSA-N 0 3 278.421 2.299 10 0 CEAEHN C[C@H]1CCC[C@@H](N(CC(N)=O)Cc2cccc(N)c2)C1 ZINC000071150526 176045067 /nfs/dbraw/zinc/04/50/67/176045067.db2.gz LNCJUSDLAQFNAT-SWLSCSKDSA-N 0 3 275.396 2.135 10 0 CEAEHN NC[C@@H](Oc1cc(F)ccc1F)c1cccnc1 ZINC000071167302 176049381 /nfs/dbraw/zinc/04/93/81/176049381.db2.gz CEPIZYDJAPJLQX-CYBMUJFWSA-N 0 3 250.248 2.439 10 0 CEAEHN NCc1cnc(N2CCC[C@H]2c2ccccc2)cn1 ZINC000071177818 176055534 /nfs/dbraw/zinc/05/55/34/176055534.db2.gz WKWJALWMPUVZDK-AWEZNQCLSA-N 0 3 254.337 2.277 10 0 CEAEHN CC(C)N(Cc1ccccc1)c1cnc(CN)cn1 ZINC000071177749 176055636 /nfs/dbraw/zinc/05/56/36/176055636.db2.gz DRLHNBZUNBRSLC-UHFFFAOYSA-N 0 3 256.353 2.350 10 0 CEAEHN CN(CCCc1ccccc1)c1cnc(CN)cn1 ZINC000071177834 176055779 /nfs/dbraw/zinc/05/57/79/176055779.db2.gz BCAHZMHZLJPGOA-UHFFFAOYSA-N 0 3 256.353 2.004 10 0 CEAEHN COc1ccc(C(=O)[C@H](C)N(C)C[C@@H]2CCN(C)C2)cc1 ZINC000071189941 176065507 /nfs/dbraw/zinc/06/55/07/176065507.db2.gz QOYRVFRFKSGUAK-UONOGXRCSA-N 0 3 290.407 2.150 10 0 CEAEHN CCCCN(CCO)Cc1ccc(F)cc1C(N)=S ZINC000071265989 176099243 /nfs/dbraw/zinc/09/92/43/176099243.db2.gz PGSNWLCJRIJVSF-UHFFFAOYSA-N 0 3 284.400 2.054 10 0 CEAEHN C[C@@H](Cc1ccco1)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335614 176126862 /nfs/dbraw/zinc/12/68/62/176126862.db2.gz RECVLTOMKUPDKN-NSHDSACASA-N 0 3 280.368 2.420 10 0 CEAEHN CCOC(=O)[C@@](C)(NCCN(C)C)C1CCCCC1 ZINC000071399865 176152226 /nfs/dbraw/zinc/15/22/26/176152226.db2.gz DTJMXDFNIJAFKS-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CN1CCN[C@H](c2cccc(Br)c2)C1 ZINC000071576406 176204320 /nfs/dbraw/zinc/20/43/20/176204320.db2.gz IYXDKHZGHYEHEJ-NSHDSACASA-N 0 3 255.159 2.025 10 0 CEAEHN CC(C)NCCS(=O)(=O)c1cccc(Cl)c1 ZINC000071588262 176216038 /nfs/dbraw/zinc/21/60/38/176216038.db2.gz PHHBRJKOGQXPAN-UHFFFAOYSA-N 0 3 261.774 2.112 10 0 CEAEHN C[C@@H](N)CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000071599564 176224751 /nfs/dbraw/zinc/22/47/51/176224751.db2.gz MAROIOFPEJNAES-ZCFIWIBFSA-N 0 3 268.165 2.114 10 0 CEAEHN Nc1nccc([C@@H]2CCCN2CCc2ccccc2)n1 ZINC000072363749 176378389 /nfs/dbraw/zinc/37/83/89/176378389.db2.gz WYJPSJHXFXQPFN-HNNXBMFYSA-N 0 3 268.364 2.438 10 0 CEAEHN CO[C@H](CN1CCN2CCCC[C@H]2C1)C1CCCC1 ZINC000660076921 415873174 /nfs/dbraw/zinc/87/31/74/415873174.db2.gz LYXQWTXSIKDLTD-JKSUJKDBSA-N 0 3 266.429 2.362 10 0 CEAEHN CCOc1cc(C)c([C@H](C)NC(=O)CNC)cc1C ZINC000076368865 177006003 /nfs/dbraw/zinc/00/60/03/177006003.db2.gz YMXCCOTVQKVWDH-LBPRGKRZSA-N 0 3 264.369 2.099 10 0 CEAEHN CSCCCCNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000077570052 177281565 /nfs/dbraw/zinc/28/15/65/177281565.db2.gz OBKPELOADSGKEX-CYBMUJFWSA-N 0 3 289.489 2.405 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000184157379 270241842 /nfs/dbraw/zinc/24/18/42/270241842.db2.gz CWNPWDNHWXIGRE-RNVIBTMRSA-N 0 3 274.364 2.006 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccccc2N(C)C)C1 ZINC000194333808 270296480 /nfs/dbraw/zinc/29/64/80/270296480.db2.gz SYQMMOLTVXHRRE-ZDUSSCGKSA-N 0 3 290.411 2.358 10 0 CEAEHN Cc1nnsc1CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000311544302 270333185 /nfs/dbraw/zinc/33/31/85/270333185.db2.gz OCJBJGSPJOFZPF-YNEHKIRRSA-N 0 3 281.425 2.362 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)c(Cl)c1 ZINC000392928464 270341553 /nfs/dbraw/zinc/34/15/53/270341553.db2.gz NQTWQJZERBWJTH-ZWNOBZJWSA-N 0 3 266.772 2.405 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246349955 280288584 /nfs/dbraw/zinc/28/85/84/280288584.db2.gz PCIXBZLLCVJUOF-RWMBFGLXSA-N 0 3 255.406 2.013 10 0 CEAEHN Fc1ccc2c(c1)nc(N1CCNCC1)c1cccn12 ZINC000013766152 274913699 /nfs/dbraw/zinc/91/36/99/274913699.db2.gz YFOGAJAEMHMGIZ-UHFFFAOYSA-N 0 3 270.311 2.036 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC000176975708 276181688 /nfs/dbraw/zinc/18/16/88/276181688.db2.gz PWUHBZVNGWOOLC-ZDUSSCGKSA-N 0 3 264.369 2.453 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000177696883 276183417 /nfs/dbraw/zinc/18/34/17/276183417.db2.gz IGASTTOZIXNEAZ-HOCLYGCPSA-N 0 3 289.423 2.430 10 0 CEAEHN CCCCOC[C@@H](O)CN(CC)Cc1ccncc1 ZINC000227906095 276238276 /nfs/dbraw/zinc/23/82/76/276238276.db2.gz YCBARZLZBNTVLM-HNNXBMFYSA-N 0 3 266.385 2.081 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000040850586 276271032 /nfs/dbraw/zinc/27/10/32/276271032.db2.gz FGBLQHZIJQVWGP-MHCOZEDOSA-N 0 3 264.413 2.446 10 0 CEAEHN CN1CCO[C@@H](CN[C@H]2CC(C)(C)Cc3occc32)C1 ZINC000180497200 276933936 /nfs/dbraw/zinc/93/39/36/276933936.db2.gz OWFBZBVWPKFIBR-JSGCOSHPSA-N 0 3 278.396 2.213 10 0 CEAEHN CN1c2ccccc2[C@H](NC[C@H]2CCCOC2)CC1=O ZINC000038045124 277218849 /nfs/dbraw/zinc/21/88/49/277218849.db2.gz NXACLEVZNZXGSL-TZMCWYRMSA-N 0 3 274.364 2.110 10 0 CEAEHN COC[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114642005 277243801 /nfs/dbraw/zinc/24/38/01/277243801.db2.gz YFPGKWMSTJRNAD-ZBFHGGJFSA-N 0 3 290.407 2.050 10 0 CEAEHN COc1cccc2c1CC[C@H](N[C@H]1CCCn3ncnc31)C2 ZINC000192444366 278035624 /nfs/dbraw/zinc/03/56/24/278035624.db2.gz RLINFABYJSENNL-ZFWWWQNUSA-N 0 3 298.390 2.269 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)N[C@@H]1CCn2ccnc21 ZINC000293831785 278242342 /nfs/dbraw/zinc/24/23/42/278242342.db2.gz BIAAHLHRDPOEDA-GOEBONIOSA-N 0 3 284.407 2.438 10 0 CEAEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1N(C)C ZINC000180581696 278276432 /nfs/dbraw/zinc/27/64/32/278276432.db2.gz XUIOXFGAPKRHFA-QWHCGFSZSA-N 0 3 285.395 2.010 10 0 CEAEHN CC(C)(C)C1CCC(CNC(=O)C2(N)CCOCC2)CC1 ZINC000261767956 278300903 /nfs/dbraw/zinc/30/09/03/278300903.db2.gz GKTVAQLURFBCBJ-UHFFFAOYSA-N 0 3 296.455 2.463 10 0 CEAEHN Cc1c(CN[C@H](C)c2ccc(NC(N)=O)cc2)cnn1C ZINC000093649971 278596475 /nfs/dbraw/zinc/59/64/75/278596475.db2.gz ZEMCIDJXGMNZOQ-SNVBAGLBSA-N 0 3 287.367 2.070 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccccc1C(F)(F)F ZINC000282289571 279028287 /nfs/dbraw/zinc/02/82/87/279028287.db2.gz IYFWKQPONNMSNE-JOYOIKCWSA-N 0 3 286.297 2.462 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000263524150 279059358 /nfs/dbraw/zinc/05/93/58/279059358.db2.gz SMPUFNBBDRXKHC-HESLUPGFSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@H]2CCC[C@H](C)C2)C1 ZINC000263524150 279059359 /nfs/dbraw/zinc/05/93/59/279059359.db2.gz SMPUFNBBDRXKHC-HESLUPGFSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@H]2CCC[C@H](C)C2)C1 ZINC000263524150 279059360 /nfs/dbraw/zinc/05/93/60/279059360.db2.gz SMPUFNBBDRXKHC-HESLUPGFSA-N 0 3 282.428 2.340 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000263530545 279059695 /nfs/dbraw/zinc/05/96/95/279059695.db2.gz WGHHQDCKIIWHEA-FKQQDJLNSA-N 0 3 282.428 2.338 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CC[C@H]1CCCO1 ZINC000077730552 279121765 /nfs/dbraw/zinc/12/17/65/279121765.db2.gz CXKQOIBMPSCOQP-ZIAGYGMSSA-N 0 3 270.417 2.038 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000119712881 279129238 /nfs/dbraw/zinc/12/92/38/279129238.db2.gz XRJMSDSWIOCWHG-UONOGXRCSA-N 0 3 299.459 2.220 10 0 CEAEHN Cc1nccc2[nH]cc(I)c21 ZINC000014986162 279167653 /nfs/dbraw/zinc/16/76/53/279167653.db2.gz AUDKTNCLJDKEJL-UHFFFAOYSA-N 0 3 258.062 2.476 10 0 CEAEHN CC(C)(C(=O)Nc1ccc(F)c(Cl)c1)N1CCNCC1 ZINC000129596252 279917526 /nfs/dbraw/zinc/91/75/26/279917526.db2.gz ZPNVIWGXYMALQO-UHFFFAOYSA-N 0 3 299.777 2.101 10 0 CEAEHN CCOc1cccnc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000137110113 280066298 /nfs/dbraw/zinc/06/62/98/280066298.db2.gz WSVFBRIWODYQTH-CYBMUJFWSA-N 0 3 293.411 2.186 10 0 CEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(N[C@@H]2CC[C@@H]2C2CC2)C1 ZINC000263529550 280070754 /nfs/dbraw/zinc/07/07/54/280070754.db2.gz VSBWFIQHKYFDLZ-QDIHITRGSA-N 0 3 292.423 2.092 10 0 CEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(N[C@@H]2CC[C@@H]2C2CC2)C1 ZINC000263529550 280070755 /nfs/dbraw/zinc/07/07/55/280070755.db2.gz VSBWFIQHKYFDLZ-QDIHITRGSA-N 0 3 292.423 2.092 10 0 CEAEHN O[C@@H]1CCCC[C@H]1[C@@H]1CCCN1Cc1ccno1 ZINC000228489539 280217304 /nfs/dbraw/zinc/21/73/04/280217304.db2.gz BSAWUDZQWALPBT-MELADBBJSA-N 0 3 250.342 2.190 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000245450360 280240791 /nfs/dbraw/zinc/24/07/91/280240791.db2.gz OMXXCYYOLALACC-HOTGVXAUSA-N 0 3 295.471 2.097 10 0 CEAEHN Cc1c([C@@H](C)N[C@H]2CCc3ncnn3C2)cnn1C(C)C ZINC000191357350 280253705 /nfs/dbraw/zinc/25/37/05/280253705.db2.gz OCKMHVLCGFJPCH-YPMHNXCESA-N 0 3 288.399 2.030 10 0 CEAEHN CCC[C@@H](C)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000245648541 280254926 /nfs/dbraw/zinc/25/49/26/280254926.db2.gz GLYLZJMUAKLTIA-ZIAGYGMSSA-N 0 3 251.374 2.020 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC000245714284 280257533 /nfs/dbraw/zinc/25/75/33/280257533.db2.gz UMVWJRBWNXEKRC-SMDDNHRTSA-N 0 3 292.427 2.121 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c([O-])c1 ZINC000246460563 280295160 /nfs/dbraw/zinc/29/51/60/280295160.db2.gz PHDDFCBDHYSLRW-TZMCWYRMSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c([O-])c1 ZINC000246460563 280295162 /nfs/dbraw/zinc/29/51/62/280295162.db2.gz PHDDFCBDHYSLRW-TZMCWYRMSA-N 0 3 276.380 2.159 10 0 CEAEHN CCCCOC[C@H](O)CN(C)[C@H](C)c1ccccn1 ZINC000248662659 280358626 /nfs/dbraw/zinc/35/86/26/280358626.db2.gz YSOKKHIUPVHILN-ZIAGYGMSSA-N 0 3 266.385 2.252 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC[C@@H]1CCCO1 ZINC000249494034 280399945 /nfs/dbraw/zinc/39/99/45/280399945.db2.gz VUFWEGNCMPWBLH-XQLPTFJDSA-N 0 3 281.396 2.362 10 0 CEAEHN COc1c(CN[C@H]2CC[C@H](C)CC2)c(C)nn1C ZINC000252967918 280451340 /nfs/dbraw/zinc/45/13/40/280451340.db2.gz UUCALOYXWJVNRX-UMSPYCQHSA-N 0 3 251.374 2.405 10 0 CEAEHN Cc1cc(NC[C@@H]2NCCc3ccccc32)ncn1 ZINC000261635273 280627146 /nfs/dbraw/zinc/62/71/46/280627146.db2.gz WKJYHPMRDCSKSE-AWEZNQCLSA-N 0 3 254.337 2.084 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@H]1CN(C)CCO1)[C@@H](C)C2 ZINC000246039206 281120645 /nfs/dbraw/zinc/12/06/45/281120645.db2.gz WYHMSVCLLZTOSQ-JLJPHGGASA-N 0 3 274.408 2.149 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccnc1Cl ZINC000247048095 288317115 /nfs/dbraw/zinc/31/71/15/288317115.db2.gz WCNBSOAXEPHFFJ-RYUDHWBXSA-N 0 3 293.798 2.434 10 0 CEAEHN CCCOc1ccc(CNC(=O)[C@@H](CCC)N(C)C)cn1 ZINC000153644862 289118062 /nfs/dbraw/zinc/11/80/62/289118062.db2.gz JRXDWIYSAFGJNN-CQSZACIVSA-N 0 3 293.411 2.217 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccsc2)C1 ZINC000157214777 289209490 /nfs/dbraw/zinc/20/94/90/289209490.db2.gz WQFZULBFMNEYCU-SNVBAGLBSA-N 0 3 253.371 2.354 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)CSC(C)(C)C ZINC000247253011 297098173 /nfs/dbraw/zinc/09/81/73/297098173.db2.gz NQSLEYGLFSFFJM-NEPJUHHUSA-N 0 3 270.442 2.213 10 0 CEAEHN CC(C)N[C@@](C)(C[C@@H](C)Oc1ccccc1F)C(N)=O ZINC000068655861 519736496 /nfs/dbraw/zinc/73/64/96/519736496.db2.gz FOXXLFDRVGCZKX-ABAIWWIYSA-N 0 3 282.359 2.225 10 0 CEAEHN CCCC1CCN(CC[C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000050905714 519901765 /nfs/dbraw/zinc/90/17/65/519901765.db2.gz DPRQTTYDUUWZNY-INIZCTEOSA-N 0 3 282.428 2.484 10 0 CEAEHN CCCC1CC[NH+](CC[C@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000050905714 519901767 /nfs/dbraw/zinc/90/17/67/519901767.db2.gz DPRQTTYDUUWZNY-INIZCTEOSA-N 0 3 282.428 2.484 10 0 CEAEHN CCCN[C@@](C)(CSCc1ccccc1C)C(N)=O ZINC000054964690 520038376 /nfs/dbraw/zinc/03/83/76/520038376.db2.gz UEAQSXSRHQUHKH-HNNXBMFYSA-N 0 3 280.437 2.472 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1O[C@H](C)C(N)=O ZINC000062747399 520065650 /nfs/dbraw/zinc/06/56/50/520065650.db2.gz JHUVMBXDOPDTIT-NXEZZACHSA-N 0 3 268.332 2.139 10 0 CEAEHN CCCN[C@H](c1cc(F)ccc1F)[C@H]1COCCO1 ZINC000055300496 520087849 /nfs/dbraw/zinc/08/78/49/520087849.db2.gz BCJJTMZISSCPGT-ZIAGYGMSSA-N 0 3 271.307 2.421 10 0 CEAEHN CCCN[C@H]1c2ccccc2CC[C@@H]1S(C)(=O)=O ZINC000054930625 520100420 /nfs/dbraw/zinc/10/04/20/520100420.db2.gz QLFALHQEBYKJSA-KBPBESRZSA-N 0 3 267.394 2.087 10 0 CEAEHN CC(C)N1CCO[C@@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616593982 500616193 /nfs/dbraw/zinc/61/61/93/500616193.db2.gz NJECUKVFOGBVPX-GFCCVEGCSA-N 0 3 272.389 2.010 10 0 CEAEHN CCN1CCC[C@H](Nc2ncc(Br)cc2N)C1 ZINC000049193347 521649879 /nfs/dbraw/zinc/64/98/79/521649879.db2.gz JMSVSYICRCHJJM-JTQLQIEISA-N 0 3 299.216 2.323 10 0 CEAEHN CNCc1c(N2CCCC2(C)C)nc2sccn12 ZINC000063071864 522100084 /nfs/dbraw/zinc/10/00/84/522100084.db2.gz AOGZVEKAOSSEHH-UHFFFAOYSA-N 0 3 264.398 2.494 10 0 CEAEHN C[C@H](NCc1cc[nH]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400463037 533912021 /nfs/dbraw/zinc/91/20/21/533912021.db2.gz SBXOAEKWKVYHML-RYUDHWBXSA-N 0 3 294.399 2.145 10 0 CEAEHN OC[C@@H]1CCC[C@@H]1CNCc1ccncc1Cl ZINC000089498372 518203518 /nfs/dbraw/zinc/20/35/18/518203518.db2.gz WNNWODHYKZAGPP-PWSUYJOCSA-N 0 3 254.761 2.233 10 0 CEAEHN CC(C)(C)NCc1cnc(Cc2ccncc2)nc1 ZINC000054856488 518767947 /nfs/dbraw/zinc/76/79/47/518767947.db2.gz BGGVPPSMZWDKQD-UHFFFAOYSA-N 0 3 256.353 2.351 10 0 CEAEHN CC(C)Cc1ccc([C@H](N)CN2CCN(C)C2=O)cc1 ZINC000052885759 519450880 /nfs/dbraw/zinc/45/08/80/519450880.db2.gz ONUQCWPMFZYFHT-OAHLLOKOSA-N 0 3 275.396 2.252 10 0 CEAEHN CC(C)CN(CCN(C)C)c1c(F)cc(CO)cc1F ZINC000062722324 519716881 /nfs/dbraw/zinc/71/68/81/519716881.db2.gz GIPZHXBYVZJBFH-UHFFFAOYSA-N 0 3 286.366 2.481 10 0 CEAEHN CC(C)CNCc1cc(Cl)ccc1O[C@H](C)C(N)=O ZINC000062730899 519746779 /nfs/dbraw/zinc/74/67/79/519746779.db2.gz HMXDEMSDRQOWFZ-SNVBAGLBSA-N 0 3 284.787 2.338 10 0 CEAEHN CC(C)Oc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282525748 519779884 /nfs/dbraw/zinc/77/98/84/519779884.db2.gz YOBJBTAONHPVSH-DOMZBBRYSA-N 0 3 276.380 2.231 10 0 CEAEHN CC(C)[C@@H](N)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000049500007 519796209 /nfs/dbraw/zinc/79/62/09/519796209.db2.gz RPVAQEYDNSWTDJ-SECBINFHSA-N 0 3 255.387 2.362 10 0 CEAEHN CC(C)c1ccc([C@@H](N)CN2CCN(C)C2=O)cc1 ZINC000052885708 519839258 /nfs/dbraw/zinc/83/92/58/519839258.db2.gz MTRAALCAUKBPNI-AWEZNQCLSA-N 0 3 261.369 2.177 10 0 CEAEHN CC(C)c1csc(NC(=O)c2cc[nH]c(=NN)c2)n1 ZINC000051114876 519856659 /nfs/dbraw/zinc/85/66/59/519856659.db2.gz IFOYMIKKNUEZEH-UHFFFAOYSA-N 0 3 277.353 2.199 10 0 CEAEHN CCCN1CCN(C[C@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560742 519858844 /nfs/dbraw/zinc/85/88/44/519858844.db2.gz IBWGPDYDGLAFML-ZACQAIPSSA-N 0 3 282.472 2.447 10 0 CEAEHN CCCNC(=O)COc1cc(F)ccc1[C@@H](C)NCC ZINC000062747122 519881111 /nfs/dbraw/zinc/88/11/11/519881111.db2.gz JOPRRWPLLHKXCL-LLVKDONJSA-N 0 3 282.359 2.401 10 0 CEAEHN CCCC1CCN(C[C@H](NC2CC2)C(=O)OCC)CC1 ZINC000050905900 519902095 /nfs/dbraw/zinc/90/20/95/519902095.db2.gz MKSZBJNKURVUAD-HNNXBMFYSA-N 0 3 282.428 2.182 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ncc(Br)s1 ZINC000061293184 519907928 /nfs/dbraw/zinc/90/79/28/519907928.db2.gz PHJQJCBPBAWCMS-UHFFFAOYSA-N 0 3 292.202 2.232 10 0 CEAEHN CC(C)n1cc(NC(=O)[C@H](CN)Cc2ccccc2)cn1 ZINC000061683341 519963929 /nfs/dbraw/zinc/96/39/29/519963929.db2.gz ZQZICZHDHFINJP-AWEZNQCLSA-N 0 3 286.379 2.220 10 0 CEAEHN CCCNCc1occc1CN1CCSCC1 ZINC000052425565 519972377 /nfs/dbraw/zinc/97/23/77/519972377.db2.gz BYFYOHFKZCZODG-UHFFFAOYSA-N 0 3 254.399 2.328 10 0 CEAEHN CCNCc1c(C)nn([C@@H]2CCCCC[C@H]2O)c1C ZINC000054600449 519984523 /nfs/dbraw/zinc/98/45/23/519984523.db2.gz HRDRGGKUHWHQNZ-HUUCEWRRSA-N 0 3 265.401 2.476 10 0 CEAEHN CCC[NH2+][C@@H](CCN(C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456656 519996969 /nfs/dbraw/zinc/99/69/69/519996969.db2.gz FWFZGARUSBKNLN-RYUDHWBXSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456656 519996974 /nfs/dbraw/zinc/99/69/74/519996974.db2.gz FWFZGARUSBKNLN-RYUDHWBXSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@@H](CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456656 519996980 /nfs/dbraw/zinc/99/69/80/519996980.db2.gz FWFZGARUSBKNLN-RYUDHWBXSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@@H](CCN1c2ccccc2CC[C@@H]1C)C(N)=O ZINC000062436682 520002081 /nfs/dbraw/zinc/00/20/81/520002081.db2.gz INNIHGQTZXNNPX-ZFWWWQNUSA-N 0 3 289.423 2.071 10 0 CEAEHN CCCN[C@@H]1COc2cc(O[C@H]3CCC[C@@H]3O)ccc21 ZINC000062805113 520028254 /nfs/dbraw/zinc/02/82/54/520028254.db2.gz ZRMXAJHIDJAGCY-ILXRZTDVSA-N 0 3 277.364 2.412 10 0 CEAEHN CCOCCOc1ccc(CNCCOC)cc1OCC ZINC000062731219 520039203 /nfs/dbraw/zinc/03/92/03/520039203.db2.gz NFIDIRUZVCAQHT-UHFFFAOYSA-N 0 3 297.395 2.237 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCC(=O)OC ZINC000062746960 520075824 /nfs/dbraw/zinc/07/58/24/520075824.db2.gz OPEZEZQKRWSNSW-VIFPVBQESA-N 0 3 255.289 2.048 10 0 CEAEHN CCN[C@@H](CCSc1nc2ccccc2s1)C(N)=O ZINC000062597762 520095101 /nfs/dbraw/zinc/09/51/01/520095101.db2.gz HPIRFSNSYADZMU-JTQLQIEISA-N 0 3 295.433 2.242 10 0 CEAEHN CCOC[C@@H](O)COc1ccc2c(c1)OC(C)(C)C[C@H]2N ZINC000069275731 520106739 /nfs/dbraw/zinc/10/67/39/520106739.db2.gz PGAVSNWQKVBEJQ-BXUZGUMPSA-N 0 3 295.379 2.024 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CCCO2)[C@@H]1COCCO1 ZINC000055301015 520112554 /nfs/dbraw/zinc/11/25/54/520112554.db2.gz WDFIWFHPSIDVMA-HOTGVXAUSA-N 0 3 277.364 2.078 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3nccn3C)ccc21 ZINC000062804689 520124883 /nfs/dbraw/zinc/12/48/83/520124883.db2.gz YWWPXMXEMRNJIK-CYBMUJFWSA-N 0 3 273.336 2.042 10 0 CEAEHN CCN[C@@](CN1CCCC(C)(C)C1)(C(=O)OC)C1CC1 ZINC000069516594 520155181 /nfs/dbraw/zinc/15/51/81/520155181.db2.gz HVTIRTWNRIVXTM-MRXNPFEDSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN[C@H](C)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052295397 520179616 /nfs/dbraw/zinc/17/96/16/520179616.db2.gz FPHXZCGCUNFKIZ-MISXGVKJSA-N 0 3 282.409 2.044 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1ccc(C)cc1C ZINC000052885537 520197477 /nfs/dbraw/zinc/19/74/77/520197477.db2.gz TVZINGUSXKHJNV-OAHLLOKOSA-N 0 3 275.396 2.321 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1CCCCO1 ZINC000050962130 520210116 /nfs/dbraw/zinc/21/01/16/520210116.db2.gz TZMUTZUQRWOTHJ-GOEBONIOSA-N 0 3 274.364 2.401 10 0 CEAEHN CCN[C@H](c1ccc(OCC)cc1)[C@H]1COCCO1 ZINC000055299926 520210514 /nfs/dbraw/zinc/21/05/14/520210514.db2.gz NOZZOCOKUIVTTG-HUUCEWRRSA-N 0 3 265.353 2.151 10 0 CEAEHN CCN(C)CC[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000062702863 520238395 /nfs/dbraw/zinc/23/83/95/520238395.db2.gz CFWVWJQPZINIBM-UHFFFAOYSA-N 0 3 287.201 2.196 10 0 CEAEHN CCN[C@](CN(C)CCC(C)C)(C(=O)OCC)C1CC1 ZINC000069183760 520245490 /nfs/dbraw/zinc/24/54/90/520245490.db2.gz MGUALSBVSRQNEK-INIZCTEOSA-N 0 3 284.444 2.286 10 0 CEAEHN CCNc1cc(C(=O)N(C)C2CCN(CC)CC2)ccn1 ZINC000050786080 520256809 /nfs/dbraw/zinc/25/68/09/520256809.db2.gz ZZXQVIFRZKEATL-UHFFFAOYSA-N 0 3 290.411 2.070 10 0 CEAEHN CCCCN(C)c1nc2ccccn2c1CNCCOC ZINC000062734500 520437943 /nfs/dbraw/zinc/43/79/43/520437943.db2.gz CDBPNRZXGYZEMZ-UHFFFAOYSA-N 0 3 290.411 2.307 10 0 CEAEHN CCCOc1cccc([C@H](CN)NC(=O)OCC)c1 ZINC000052920808 520466295 /nfs/dbraw/zinc/46/62/95/520466295.db2.gz ARLYEQHTHMFFTN-ZDUSSCGKSA-N 0 3 266.341 2.221 10 0 CEAEHN CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)NC)cc1 ZINC000052395732 520724476 /nfs/dbraw/zinc/72/44/76/520724476.db2.gz QRTGCHDDHKAGOQ-LLVKDONJSA-N 0 3 278.352 2.190 10 0 CEAEHN CCN(CCC(N)=S)Cc1ccc(F)cc1F ZINC000050884868 520996627 /nfs/dbraw/zinc/99/66/27/520996627.db2.gz KDDFQNLKQMOJLE-UHFFFAOYSA-N 0 3 258.337 2.463 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)NC ZINC000062746176 521031811 /nfs/dbraw/zinc/03/18/11/521031811.db2.gz RKWQTFITWSFCHS-NXEZZACHSA-N 0 3 269.316 2.437 10 0 CEAEHN CCOC(=O)[C@H](N)CCN1CCC(C(C)(C)C)CC1 ZINC000062530682 521258566 /nfs/dbraw/zinc/25/85/66/521258566.db2.gz PWZSEWNYUWJMSA-CYBMUJFWSA-N 0 3 270.417 2.025 10 0 CEAEHN CCOc1ccc([C@H](COC)NC)cc1OCC ZINC000055226211 521264002 /nfs/dbraw/zinc/26/40/02/521264002.db2.gz ZNCMBIJZXXZBHW-LBPRGKRZSA-N 0 3 253.342 2.391 10 0 CEAEHN CCN(C[C@](NC(C)C)(C(N)=O)C1CC1)c1ccccc1 ZINC000069096315 521275220 /nfs/dbraw/zinc/27/52/20/521275220.db2.gz ZCHDWYZVVUPSQA-QGZVFWFLSA-N 0 3 289.423 2.145 10 0 CEAEHN CCN(Cc1ccnc(C(=N)N)c1)c1ccccc1 ZINC000068761023 521413375 /nfs/dbraw/zinc/41/33/75/521413375.db2.gz BPGNHWJTUFIIPS-UHFFFAOYSA-N 0 3 254.337 2.392 10 0 CEAEHN CCCc1nc(N2C[C@@H](C)OC[C@@H]2C)sc1CN ZINC000054997257 521534924 /nfs/dbraw/zinc/53/49/24/521534924.db2.gz MOBWATCLOPUMFG-VHSXEESVSA-N 0 3 269.414 2.168 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2ccccc2C)C1 ZINC000052500674 521646471 /nfs/dbraw/zinc/64/64/71/521646471.db2.gz PBWMCKGGHLWMQO-HNNXBMFYSA-N 0 3 275.396 2.279 10 0 CEAEHN CCNC(=O)COc1ccc(OC)cc1CNC(C)(C)C ZINC000062727511 521738710 /nfs/dbraw/zinc/73/87/10/521738710.db2.gz CZRAKLIWXXXPNP-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN COCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000052790776 521825933 /nfs/dbraw/zinc/82/59/33/521825933.db2.gz XOHVVULSSMWYOJ-SECBINFHSA-N 0 3 277.151 2.296 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=O)c1cc2cc(N)ccc2o1 ZINC000061641838 521862985 /nfs/dbraw/zinc/86/29/85/521862985.db2.gz ZDWZXKDEIBSBDR-CYBMUJFWSA-N 0 3 287.363 2.181 10 0 CEAEHN CCc1ccccc1[C@@H](CN)N1CCOC[C@@H]1CC ZINC000052203579 521931959 /nfs/dbraw/zinc/93/19/59/521931959.db2.gz XJLPDWBWMVCIRW-GOEBONIOSA-N 0 3 262.397 2.360 10 0 CEAEHN CNCc1coc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000052573161 522149988 /nfs/dbraw/zinc/14/99/88/522149988.db2.gz OYEYWTRNKYBPDV-LSDHHAIUSA-N 0 3 264.369 2.142 10 0 CEAEHN COC[C@@H](C)N(C)Cc1c2ccccc2oc1CN ZINC000052511539 522220116 /nfs/dbraw/zinc/22/01/16/522220116.db2.gz ZVDMQOFZPHYCMP-LLVKDONJSA-N 0 3 262.353 2.358 10 0 CEAEHN COC[C@@H](C)Oc1cccc(CNC(C)(C)C)n1 ZINC000070208991 522264314 /nfs/dbraw/zinc/26/43/14/522264314.db2.gz LXGUAVBJBMNSJY-LLVKDONJSA-N 0 3 252.358 2.383 10 0 CEAEHN CN[C@@H](Cn1ncccc1=O)c1ccc(C(C)C)cc1 ZINC000061402341 522365680 /nfs/dbraw/zinc/36/56/80/522365680.db2.gz OHXFRVXHKMCSOX-HNNXBMFYSA-N 0 3 271.364 2.327 10 0 CEAEHN CN[C@@H](Cn1ncccc1=O)c1ccc(CC(C)C)cc1 ZINC000061402243 522365953 /nfs/dbraw/zinc/36/59/53/522365953.db2.gz BMGBTTWJEFAVMX-INIZCTEOSA-N 0 3 285.391 2.403 10 0 CEAEHN CN[C@@H](Cn1nc(C)ccc1=O)c1c(C)cc(C)cc1C ZINC000061810240 522366139 /nfs/dbraw/zinc/36/61/39/522366139.db2.gz AFERNLCCWCKAFH-HNNXBMFYSA-N 0 3 285.391 2.438 10 0 CEAEHN CN[C@@H](c1ccc(Br)s1)[C@H]1COCCO1 ZINC000055301042 522367800 /nfs/dbraw/zinc/36/78/00/522367800.db2.gz WOVVRBLFDOLCEF-GMSGAONNSA-N 0 3 292.198 2.187 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1CCCCO1 ZINC000050961584 522482522 /nfs/dbraw/zinc/48/25/22/522482522.db2.gz UBNVNHDTJPAGFW-DZGCQCFKSA-N 0 3 260.337 2.011 10 0 CEAEHN CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000061626966 522503003 /nfs/dbraw/zinc/50/30/03/522503003.db2.gz QDCLMDJQKLDACH-NSHDSACASA-N 0 3 272.270 2.026 10 0 CEAEHN CN[C@H]1COc2cc(OCc3cc(C)no3)ccc21 ZINC000062804183 522507275 /nfs/dbraw/zinc/50/72/75/522507275.db2.gz BUPPQMJIILZIPH-ZDUSSCGKSA-N 0 3 260.293 2.215 10 0 CEAEHN CN[C@](C)(C[C@@H](C)Oc1cccc(C(C)C)c1)C(N)=O ZINC000068655343 522520281 /nfs/dbraw/zinc/52/02/81/522520281.db2.gz ZVSKHCPWVVVPBE-MLGOLLRUSA-N 0 3 278.396 2.431 10 0 CEAEHN CCc1nccn1-c1ccccc1CNCCOC ZINC000062738834 522580212 /nfs/dbraw/zinc/58/02/12/522580212.db2.gz PJYNDAWBVNPOHS-UHFFFAOYSA-N 0 3 259.353 2.171 10 0 CEAEHN COC1CCN(c2ncc(CNC3CC3)s2)CC1 ZINC000054903169 522708690 /nfs/dbraw/zinc/70/86/90/522708690.db2.gz DQISEIOBOPYYBB-UHFFFAOYSA-N 0 3 267.398 2.010 10 0 CEAEHN CC[C@H](O)COc1cc2c(cc1CNC(C)(C)C)OCO2 ZINC000062733888 522821396 /nfs/dbraw/zinc/82/13/96/522821396.db2.gz BOUNUKWPBVDADD-LBPRGKRZSA-N 0 3 295.379 2.453 10 0 CEAEHN CCc1oc(C(=O)OC)cc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000183156134 522998885 /nfs/dbraw/zinc/99/88/85/522998885.db2.gz PAFPXNSRLSCPEH-GWCFXTLKSA-N 0 3 281.352 2.286 10 0 CEAEHN CCn1c(=O)[n-]nc1Sc1ccc([C@@H](C)[NH2+]C)cc1F ZINC000061595849 523097097 /nfs/dbraw/zinc/09/70/97/523097097.db2.gz RFUCOFLPSHTCNL-MRVPVSSYSA-N 0 3 296.371 2.162 10 0 CEAEHN COC(=O)CCOc1ccc(Cl)cc1[C@@H](C)N ZINC000069317408 523105810 /nfs/dbraw/zinc/10/58/10/523105810.db2.gz ZBFVWHGKYHQFRA-MRVPVSSYSA-N 0 3 257.717 2.302 10 0 CEAEHN COCCCN(CCOC)Cc1occc1CNC1CC1 ZINC000052543233 523257554 /nfs/dbraw/zinc/25/75/54/523257554.db2.gz IXBKUVDESABTFH-UHFFFAOYSA-N 0 3 296.411 2.017 10 0 CEAEHN COc1ccc(-c2nnc([C@H]3CCN(C)C3)o2)cc1 ZINC000049170110 523267866 /nfs/dbraw/zinc/26/78/66/523267866.db2.gz OSTKBULPWOYCJQ-NSHDSACASA-N 0 3 259.309 2.164 10 0 CEAEHN CN(Cc1cccc(F)c1)CC1(CO)CCOCC1 ZINC000052199247 523310008 /nfs/dbraw/zinc/31/00/08/523310008.db2.gz XGYZWUIFINIPKR-UHFFFAOYSA-N 0 3 267.344 2.047 10 0 CEAEHN CC[C@H]1COCCN1c1cc(Cl)ccc1CN ZINC000062786856 523338801 /nfs/dbraw/zinc/33/88/01/523338801.db2.gz MYDLPCKPJXDGLV-LBPRGKRZSA-N 0 3 254.761 2.414 10 0 CEAEHN CC[C@@H]1CN(c2c(CNCC(C)C)c(C)nn2C)CCO1 ZINC000062735897 523470969 /nfs/dbraw/zinc/47/09/69/523470969.db2.gz LTHFDZRFEGRLMJ-CQSZACIVSA-N 0 3 294.443 2.089 10 0 CEAEHN CCn1ccnc1[C@@H](Cc1ccc(OC)cc1)NC ZINC000069497949 523554580 /nfs/dbraw/zinc/55/45/80/523554580.db2.gz FYHHYDIAINJCNO-CQSZACIVSA-N 0 3 259.353 2.415 10 0 CEAEHN COc1ccc(C)cc1CN(C)CCC(N)=S ZINC000050704060 523807787 /nfs/dbraw/zinc/80/77/87/523807787.db2.gz SJEGPZULGPQCGK-UHFFFAOYSA-N 0 3 252.383 2.112 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1cc(C)c(CN)o1 ZINC000052547354 523938744 /nfs/dbraw/zinc/93/87/44/523938744.db2.gz KXVVVPDCRQKIGZ-LBPRGKRZSA-N 0 3 254.374 2.294 10 0 CEAEHN COCCNC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000055030498 523940122 /nfs/dbraw/zinc/94/01/22/523940122.db2.gz KVRLRPIYHNRDRJ-LLVKDONJSA-N 0 3 264.152 2.263 10 0 CEAEHN COCCNC[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000055033593 523942891 /nfs/dbraw/zinc/94/28/91/523942891.db2.gz CDNQRVBFJORNNF-GFCCVEGCSA-N 0 3 277.286 2.149 10 0 CEAEHN COCCNCc1c(C)nc(Cc2cccs2)nc1C ZINC000054854552 523945594 /nfs/dbraw/zinc/94/55/94/523945594.db2.gz XZZNNXUNFKNMMD-UHFFFAOYSA-N 0 3 291.420 2.482 10 0 CEAEHN COCCNCc1c(N2CCCCC2)nc2ccccn21 ZINC000062734703 523948759 /nfs/dbraw/zinc/94/87/59/523948759.db2.gz FDIDGZWXNIZMNU-UHFFFAOYSA-N 0 3 288.395 2.061 10 0 CEAEHN COCCNCc1ccccc1-n1cc(Cl)cn1 ZINC000062738707 523954314 /nfs/dbraw/zinc/95/43/14/523954314.db2.gz YOCFJWYCBCMETD-UHFFFAOYSA-N 0 3 265.744 2.262 10 0 CEAEHN COCCNCc1cnc(N(C)[C@H](C)C(C)C)s1 ZINC000054904445 523957448 /nfs/dbraw/zinc/95/74/48/523957448.db2.gz JQJZZTVMFMEGOK-LLVKDONJSA-N 0 3 271.430 2.360 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccc(F)cc1OC ZINC000049569986 524003370 /nfs/dbraw/zinc/00/33/70/524003370.db2.gz LTUODILYAJMFER-VIFPVBQESA-N 0 3 254.305 2.161 10 0 CEAEHN COCCO[C@H](CNC1CC1)c1ccccc1OC ZINC000050496054 524034316 /nfs/dbraw/zinc/03/43/16/524034316.db2.gz AJXOMKDONUYQIJ-OAHLLOKOSA-N 0 3 265.353 2.151 10 0 CEAEHN COc1ccc(CNC(C)(C)C)c(O[C@H]2CCOC2=O)c1 ZINC000062733134 524069023 /nfs/dbraw/zinc/06/90/23/524069023.db2.gz XSZKMTSPDXAXHL-ZDUSSCGKSA-N 0 3 293.363 2.278 10 0 CEAEHN CNC(=O)[C@@H](CC(C)C)NCc1ccc(F)c(C)c1 ZINC000050545505 524081011 /nfs/dbraw/zinc/08/10/11/524081011.db2.gz YMIIJZSBLAYCLM-CQSZACIVSA-N 0 3 266.360 2.384 10 0 CEAEHN C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@@H]1CCCO ZINC000052762233 524108864 /nfs/dbraw/zinc/10/88/64/524108864.db2.gz ARAZYYBQULIDKC-LSDHHAIUSA-N 0 3 282.428 2.014 10 0 CEAEHN C[C@H]1CCC[C@@H](C(=O)NCc2ccc(F)c(F)c2)N1 ZINC000049575595 524128741 /nfs/dbraw/zinc/12/87/41/524128741.db2.gz NLPLQJZFXPSGSP-ZANVPECISA-N 0 3 268.307 2.112 10 0 CEAEHN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H]1CCCO ZINC000052762438 524357148 /nfs/dbraw/zinc/35/71/48/524357148.db2.gz WFQSEOWDCFKFLY-QLFBSQMISA-N 0 3 282.428 2.013 10 0 CEAEHN C[C@H]1COCCN1c1nc(-c2ccccc2)c(CN)s1 ZINC000054997367 524723348 /nfs/dbraw/zinc/72/33/48/524723348.db2.gz NFIHJVLKBUYRLD-NSHDSACASA-N 0 3 289.404 2.494 10 0 CEAEHN C[C@@H]1CN(Cc2ccc(CNC(C)(C)C)o2)CCO1 ZINC000052382394 524995205 /nfs/dbraw/zinc/99/52/05/524995205.db2.gz RHUVIALSWDNMEH-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN Cc1cc(F)ccc1[C@@H]1[C@H](N)CC(=O)N1CC(C)C ZINC000070294427 525004988 /nfs/dbraw/zinc/00/49/88/525004988.db2.gz OBCVKNDQWMECDN-UKRRQHHQSA-N 0 3 264.344 2.391 10 0 CEAEHN C[C@@H]([NH3+])[C@@]([O-])(c1ccc(F)cc1F)C(F)(F)F ZINC000062784606 525014262 /nfs/dbraw/zinc/01/42/62/525014262.db2.gz LQQWFUMLTZZKFW-MLUIRONXSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H](N)c1ccc(F)cc1O[C@H](C)C(=O)N1CCCC1 ZINC000062745677 525027409 /nfs/dbraw/zinc/02/74/09/525027409.db2.gz XJANEEVZWONYRL-GHMZBOCLSA-N 0 3 280.343 2.235 10 0 CEAEHN C[C@@H]1CN(c2c(F)c(F)c(F)c(F)c2F)CCN1 ZINC000052783317 525062217 /nfs/dbraw/zinc/06/22/17/525062217.db2.gz AESKTNLMIPHKTQ-RXMQYKEDSA-N 0 3 266.213 2.180 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc(Cl)cc1F ZINC000069133273 525101327 /nfs/dbraw/zinc/10/13/27/525101327.db2.gz ZQDCSYHMOMQQLX-DTORHVGOSA-N 0 3 270.735 2.302 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc2ccccc2o1 ZINC000069132590 525101490 /nfs/dbraw/zinc/10/14/90/525101490.db2.gz SWTFXZUGYMPAMP-PHIMTYICSA-N 0 3 258.321 2.255 10 0 CEAEHN Cc1ccccc1CCC(=O)N1[C@H](C)CNC[C@H]1C ZINC000069133453 525102632 /nfs/dbraw/zinc/10/26/32/525102632.db2.gz ZHAJWJAHQGMWRD-ZIAGYGMSSA-N 0 3 260.381 2.136 10 0 CEAEHN CS(=O)(=O)[C@@H](c1ccccc1)[C@H](N)Cc1ccccc1 ZINC000054930069 525231101 /nfs/dbraw/zinc/23/11/01/525231101.db2.gz HNQWEKPDGGIRND-CVEARBPZSA-N 0 3 289.400 2.342 10 0 CEAEHN C[C@@H]1C[C@@H]1NCC(=O)Nc1cccc(Br)c1 ZINC000052287807 525329038 /nfs/dbraw/zinc/32/90/38/525329038.db2.gz GNJFQJGUXBUDNU-KCJUWKMLSA-N 0 3 283.169 2.386 10 0 CEAEHN COc1ccc([C@H](CN)N2CCSCC2)cc1C ZINC000050596515 525352995 /nfs/dbraw/zinc/35/29/95/525352995.db2.gz AYQIJAPOOXXFER-ZDUSSCGKSA-N 0 3 266.410 2.052 10 0 CEAEHN C[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000069141023 525556260 /nfs/dbraw/zinc/55/62/60/525556260.db2.gz LJUUQNZFWCVLQF-BLLLJJGKSA-N 0 3 293.432 2.403 10 0 CEAEHN CSC[C@H](C)CN[C@@H]1COc2cc(O)ccc21 ZINC000069435922 525682642 /nfs/dbraw/zinc/68/26/42/525682642.db2.gz LCWQAPNGERIVAL-BXKDBHETSA-N 0 3 253.367 2.414 10 0 CEAEHN Cc1ccc(C(=O)CN2CCC[C@@H]2CN(C)C)cc1 ZINC000061645630 526046901 /nfs/dbraw/zinc/04/69/01/526046901.db2.gz DQCZDEWQGHSWLR-OAHLLOKOSA-N 0 3 260.381 2.204 10 0 CEAEHN Cc1ccc(C(=O)CN2CCC[C@@H]2CN(C)C)s1 ZINC000061645600 526046987 /nfs/dbraw/zinc/04/69/87/526046987.db2.gz DKROUNVWCUEIDU-GFCCVEGCSA-N 0 3 266.410 2.265 10 0 CEAEHN C[C@H](c1nc(-c2cnccn2)no1)[C@H](N)c1ccccc1 ZINC000157958903 526172530 /nfs/dbraw/zinc/17/25/30/526172530.db2.gz POVYHYCDCDHRDU-GWCFXTLKSA-N 0 3 281.319 2.330 10 0 CEAEHN Cc1csc(SC[C@](NC(C)C)(C(N)=O)C2CC2)n1 ZINC000069187859 526397785 /nfs/dbraw/zinc/39/77/85/526397785.db2.gz UWIDEXQAZBNTJL-CYBMUJFWSA-N 0 3 299.465 2.176 10 0 CEAEHN N=C(N)c1cc(N2CC[C@@H]3CCCC[C@@H]3C2)ccn1 ZINC000061814132 526821164 /nfs/dbraw/zinc/82/11/64/526821164.db2.gz BORHCQQOVYTFAG-NWDGAFQWSA-N 0 3 258.369 2.382 10 0 CEAEHN Cc1nc(C[C@H]2CCCO2)nc(C)c1CNC1CC1 ZINC000054854385 526922692 /nfs/dbraw/zinc/92/26/92/526922692.db2.gz PLGLEJZVEQJGIX-CYBMUJFWSA-N 0 3 261.369 2.067 10 0 CEAEHN NC(=O)[C@@H](NC1CCCC1)c1cccc2cccnc21 ZINC000069503136 526956928 /nfs/dbraw/zinc/95/69/28/526956928.db2.gz OEYCZNJJRXGDHJ-HNNXBMFYSA-N 0 3 269.348 2.293 10 0 CEAEHN NC(=O)[C@@](CSCc1ccccc1)(NC1CC1)C1CC1 ZINC000069185912 526989393 /nfs/dbraw/zinc/98/93/93/526989393.db2.gz KGDIBPMWEFDGBU-INIZCTEOSA-N 0 3 290.432 2.306 10 0 CEAEHN NC[C@@H](C(=O)NC[C@H]1CC=CCC1)c1ccccc1 ZINC000061613184 527201102 /nfs/dbraw/zinc/20/11/02/527201102.db2.gz XWQNXPHLWODXLY-DZGCQCFKSA-N 0 3 258.365 2.201 10 0 CEAEHN NC[C@@H](c1cccc2cccnc21)N1CCSCC1 ZINC000069502293 527207652 /nfs/dbraw/zinc/20/76/52/527207652.db2.gz SLWSPRGOSPXDKO-AWEZNQCLSA-N 0 3 273.405 2.283 10 0 CEAEHN NCc1c(-n2ncc3ccccc32)nc2sccn12 ZINC000050526869 527243739 /nfs/dbraw/zinc/24/37/39/527243739.db2.gz OSFRLUPXDOWATE-UHFFFAOYSA-N 0 3 269.333 2.193 10 0 CEAEHN NCc1ccc(Cl)cc1N1CCC[C@@H](CO)C1 ZINC000062786852 527252904 /nfs/dbraw/zinc/25/29/04/527252904.db2.gz JFYARUDBQWDYNO-SNVBAGLBSA-N 0 3 254.761 2.007 10 0 CEAEHN Cn1cc([C@H](CN)N2CCC3(CCCCC3)CC2)cn1 ZINC000061818017 527312133 /nfs/dbraw/zinc/31/21/33/527312133.db2.gz MWGHQWQDQKWKTC-HNNXBMFYSA-N 0 3 276.428 2.466 10 0 CEAEHN N[C@@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000054681915 527339147 /nfs/dbraw/zinc/33/91/47/527339147.db2.gz BWRHOZKZKTVQEU-LSDHHAIUSA-N 0 3 257.289 2.149 10 0 CEAEHN OCC1(CN(Cc2ccco2)C2CC2)CCOCC1 ZINC000052199884 527522633 /nfs/dbraw/zinc/52/26/33/527522633.db2.gz NGJDSFCFXIYKQY-UHFFFAOYSA-N 0 3 265.353 2.033 10 0 CEAEHN OCCC[C@@H]1CCCN1Cc1cn2ccccc2n1 ZINC000052761825 527545167 /nfs/dbraw/zinc/54/51/67/527545167.db2.gz HFOOATMEUPJMBK-AWEZNQCLSA-N 0 3 259.353 2.071 10 0 CEAEHN CC(C)CNCc1cncc(N2CCSC[C@@H]2C)n1 ZINC000091421830 535169580 /nfs/dbraw/zinc/16/95/80/535169580.db2.gz LLCQUIFTANXQFH-LBPRGKRZSA-N 0 3 280.441 2.164 10 0 CEAEHN CCC[C@@](C)(N)C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000262571649 535521707 /nfs/dbraw/zinc/52/17/07/535521707.db2.gz NAGRJPXVRAUNAS-MRXNPFEDSA-N 0 3 277.412 2.229 10 0 CEAEHN CC[C@@H](C)N1CCN(c2nc(Cl)ncc2C)CC1 ZINC000091658967 535565853 /nfs/dbraw/zinc/56/58/53/535565853.db2.gz MYYOTJXANLCCMP-LLVKDONJSA-N 0 3 268.792 2.359 10 0 CEAEHN CN[C@H](C)c1c(F)cccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906364 536406687 /nfs/dbraw/zinc/40/66/87/536406687.db2.gz VJVQNOZPDRMHEO-UTUOFQBUSA-N 0 3 264.344 2.474 10 0 CEAEHN CCN1CCC=C(c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000757567930 574514120 /nfs/dbraw/zinc/51/41/20/574514120.db2.gz QGOZOIGMBKASHT-UHFFFAOYSA-N 0 3 280.393 2.167 10 0 CEAEHN C[C@@H](N1CCC[C@@]12CN1CCC2CC1)C(F)(F)F ZINC000757129574 574826016 /nfs/dbraw/zinc/82/60/16/574826016.db2.gz LVRYKXMKZVVWEK-PWSUYJOCSA-N 0 3 262.319 2.497 10 0 CEAEHN COC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757133074 622807126 /nfs/dbraw/zinc/80/71/26/622807126.db2.gz FWFRALXOLAKQDX-LLVKDONJSA-N 0 3 295.383 2.317 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)CC1CC1)c1ccc(F)cc1F ZINC000312022883 628061223 /nfs/dbraw/zinc/06/12/23/628061223.db2.gz VMTREDCOFDJPRY-ISVAXAHUSA-N 0 3 268.307 2.269 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000249074748 628719130 /nfs/dbraw/zinc/71/91/30/628719130.db2.gz LYXDTBHIYXFNFH-YUTCNCBUSA-N 0 3 286.331 2.149 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000236914346 629124170 /nfs/dbraw/zinc/12/41/70/629124170.db2.gz SAQUEOCUPKGHBH-TVQRCGJNSA-N 0 3 290.367 2.206 10 0 CEAEHN Cc1sc([C@@H]2N[C@@H](C)CC[C@H]2C[NH3+])cc1C(=O)[O-] ZINC000757238177 631838991 /nfs/dbraw/zinc/83/89/91/631838991.db2.gz RNKSFGIKYZDPHW-QOSJWCAFSA-N 0 3 268.382 2.143 10 0 CEAEHN CCC[C@@H](N)C(=O)N1CCCc2cc(OC)ccc21 ZINC000040833527 632355402 /nfs/dbraw/zinc/35/54/02/632355402.db2.gz PJMGJEILUGFACT-CYBMUJFWSA-N 0 3 262.353 2.102 10 0 CEAEHN CCCCCCNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000057790379 639460800 /nfs/dbraw/zinc/46/08/00/639460800.db2.gz RLZMNBKSMTYMQN-CYBMUJFWSA-N 0 3 255.406 2.350 10 0 CEAEHN CO[C@H](c1noc([C@@H]2CNCc3ccccc32)n1)C1CC1 ZINC000227332172 639585030 /nfs/dbraw/zinc/58/50/30/639585030.db2.gz XCEBFTHWOFVYSN-KGLIPLIRSA-N 0 3 285.347 2.402 10 0 CEAEHN CC1(C)OC[C@H](CN[C@@H]2CCOc3ccccc32)O1 ZINC000230203353 639745772 /nfs/dbraw/zinc/74/57/72/639745772.db2.gz KYJUIPSUEYWKAO-WCQYABFASA-N 0 3 263.337 2.251 10 0 CEAEHN O=C(CCn1cccn1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117101440 645669600 /nfs/dbraw/zinc/66/96/00/645669600.db2.gz KAXDWBJCDLTVDU-INIZCTEOSA-N 0 3 299.374 2.091 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(OC)nc2C)C1 ZINC000124405977 187136247 /nfs/dbraw/zinc/13/62/47/187136247.db2.gz MVSHJWPPHDLUKO-LBPRGKRZSA-N 0 3 292.383 2.004 10 0 CEAEHN COC[C@H](C)N(C)Cc1cc(CNC(C)C)co1 ZINC000052511762 522591584 /nfs/dbraw/zinc/59/15/84/522591584.db2.gz FRRAPGLVXPCYCQ-LBPRGKRZSA-N 0 3 254.374 2.244 10 0 CEAEHN CCNCc1sc(-c2ccccn2)nc1COC ZINC000082445392 178022556 /nfs/dbraw/zinc/02/25/56/178022556.db2.gz JKOUFKHQPCMSBY-UHFFFAOYSA-N 0 3 263.366 2.461 10 0 CEAEHN NC[C@@H](O[C@H]1CCOC1)c1cc(Br)cs1 ZINC000082453058 178032119 /nfs/dbraw/zinc/03/21/19/178032119.db2.gz OLJGPGRKRSTFKY-DTWKUNHWSA-N 0 3 292.198 2.316 10 0 CEAEHN FC1(F)CCC[C@H]1CN1CCO[C@]2(CCCOC2)C1 ZINC000336265861 365540216 /nfs/dbraw/zinc/54/02/16/365540216.db2.gz ZLKAVAOTLWUUKL-QWHCGFSZSA-N 0 3 275.339 2.303 10 0 CEAEHN CNCc1c(Cl)cccc1Sc1nc[nH]n1 ZINC000082615990 178126364 /nfs/dbraw/zinc/12/63/64/178126364.db2.gz VEQDOTQOZKPHOQ-UHFFFAOYSA-N 0 3 254.746 2.329 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](C)C1 ZINC000121653284 365598961 /nfs/dbraw/zinc/59/89/61/365598961.db2.gz SSPOUWDEHIJSMK-ZIAGYGMSSA-N 0 3 269.433 2.404 10 0 CEAEHN Cc1cc(Br)c2ncc([C@@H](C)N)n2c1 ZINC000082693658 178188047 /nfs/dbraw/zinc/18/80/47/178188047.db2.gz AJMFEVUSZVYMNS-SSDOTTSWSA-N 0 3 254.131 2.425 10 0 CEAEHN O=[S@](CCNC1CC1)c1ccc(Br)cc1 ZINC000082747095 178268995 /nfs/dbraw/zinc/26/89/95/178268995.db2.gz YRQFUWAFVSTBLG-HNNXBMFYSA-N 0 3 288.210 2.309 10 0 CEAEHN CCN(C[C@@H]1CC(c2ccccc2)=NO1)CC(C)(C)O ZINC000036146464 361831126 /nfs/dbraw/zinc/83/11/26/361831126.db2.gz OBXDFVZPYKUTBF-AWEZNQCLSA-N 0 3 276.380 2.272 10 0 CEAEHN COc1ccc(CN[C@@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000037164318 361902280 /nfs/dbraw/zinc/90/22/80/361902280.db2.gz KARMEDYDRYSAGM-CHWSQXEVSA-N 0 3 265.353 2.097 10 0 CEAEHN CCC(CC)N(CCOC)Cc1c(C)nn(C)c1OC ZINC000092565942 282184161 /nfs/dbraw/zinc/18/41/61/282184161.db2.gz DGPQKSXWYYFFEA-UHFFFAOYSA-N 0 3 283.416 2.374 10 0 CEAEHN CCc1cc(Br)cc2c1NC[C@]21C[C@H]1N ZINC000725247824 539192524 /nfs/dbraw/zinc/19/25/24/539192524.db2.gz ZQBSQBCRIXWFJW-ZYHUDNBSSA-N 0 3 267.170 2.406 10 0 CEAEHN N[C@H]1C[C@@]12CNc1c2cc(Br)cc1Cl ZINC000725247495 539192720 /nfs/dbraw/zinc/19/27/20/539192720.db2.gz OJVUEEFXZFAXMS-WPRPVWTQSA-N 0 3 273.561 2.497 10 0 CEAEHN COc1cccc(CN2CC[C@@H](CCO)C2)c1F ZINC000124330737 539188444 /nfs/dbraw/zinc/18/84/44/539188444.db2.gz CFQVRAJGURGRTN-NSHDSACASA-N 0 3 253.317 2.039 10 0 CEAEHN CC1(C)Cc2nc(Cl)cc(CO)c2C(C)(C)N1 ZINC000725259287 539205956 /nfs/dbraw/zinc/20/59/56/539205956.db2.gz DAOFJTBSMQUKCM-UHFFFAOYSA-N 0 3 254.761 2.387 10 0 CEAEHN OC[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC000231041998 539227747 /nfs/dbraw/zinc/22/77/47/539227747.db2.gz OXDDSECIMSRMMV-WCQYABFASA-N 0 3 254.761 2.376 10 0 CEAEHN O[C@@H](COCc1ccccc1)CN1CC[C@@H](C(F)F)C1 ZINC000677730375 539260355 /nfs/dbraw/zinc/26/03/55/539260355.db2.gz IBKLUGXXVJSHSW-ZIAGYGMSSA-N 0 3 285.334 2.151 10 0 CEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)C[C@H](CC)O1 ZINC000398581321 539262201 /nfs/dbraw/zinc/26/22/01/539262201.db2.gz MDPLZTPFSJDVLN-TUVASFSCSA-N 0 3 255.402 2.427 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NC[C@H]1CN(CC)CCO1 ZINC000223644474 539268660 /nfs/dbraw/zinc/26/86/60/539268660.db2.gz PUPBZGXJFQTVGN-CABCVRRESA-N 0 3 292.423 2.457 10 0 CEAEHN Cc1cccc([C@H](N)CN2C(=O)c3ccccc3C2=O)c1 ZINC000041088974 362017974 /nfs/dbraw/zinc/01/79/74/362017974.db2.gz AAHSFOWVKRTGIY-OAHLLOKOSA-N 0 3 280.327 2.291 10 0 CEAEHN C[C@H]1CNCCN1c1cccc(Br)c1 ZINC000041325071 362029831 /nfs/dbraw/zinc/02/98/31/362029831.db2.gz BVJNWPQMFSPDOO-VIFPVBQESA-N 0 3 255.159 2.247 10 0 CEAEHN CN(Cc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000046342797 362181065 /nfs/dbraw/zinc/18/10/65/362181065.db2.gz ZXPPRBJQTGUDIO-AWEZNQCLSA-N 0 3 269.360 2.434 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007720 343424918 /nfs/dbraw/zinc/42/49/18/343424918.db2.gz QIHFJHXDBSRYRR-PELKAZGASA-N 0 3 256.296 2.269 10 0 CEAEHN C[C@@H](NC(=O)CNC1CC1)c1ccc2c(c1)CCCC2 ZINC000037390269 343427268 /nfs/dbraw/zinc/42/72/68/343427268.db2.gz ONVINTDQIKVWAK-GFCCVEGCSA-N 0 3 272.392 2.495 10 0 CEAEHN C[C@@H](OCC1CC1)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000119549269 344296015 /nfs/dbraw/zinc/29/60/15/344296015.db2.gz XKLMMGQBSFDBSA-CZUORRHYSA-N 0 3 290.407 2.221 10 0 CEAEHN C[C@@H]1CCC[C@@H](CCNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129759933 344347021 /nfs/dbraw/zinc/34/70/21/344347021.db2.gz XZVXPUAMESWIJE-CABCVRRESA-N 0 3 295.471 2.003 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)CCSC)C1 ZINC000152430044 344425815 /nfs/dbraw/zinc/42/58/15/344425815.db2.gz RHVRDNZCSHHQFJ-QWHCGFSZSA-N 0 3 287.473 2.254 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(OC(C)C)cc2)C1 ZINC000134434955 344374374 /nfs/dbraw/zinc/37/43/74/344374374.db2.gz BQFCJEOSSGZPCX-QGZVFWFLSA-N 0 3 292.423 2.284 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccccc2OC(C)C)C1 ZINC000134435645 344374462 /nfs/dbraw/zinc/37/44/62/344374462.db2.gz DVCLDKATIWDSAI-MRXNPFEDSA-N 0 3 292.423 2.284 10 0 CEAEHN Cc1ccc(CCC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170857063 344491974 /nfs/dbraw/zinc/49/19/74/344491974.db2.gz PEWWILGNODSTGE-OAHLLOKOSA-N 0 3 260.381 2.090 10 0 CEAEHN Cc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)c(F)c1 ZINC000171070276 344495107 /nfs/dbraw/zinc/49/51/07/344495107.db2.gz HQZOQOZIGHJVGX-LLVKDONJSA-N 0 3 265.332 2.302 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@H](NC2CC2)[C@@H](F)C1 ZINC000223650854 344543301 /nfs/dbraw/zinc/54/33/01/344543301.db2.gz SVPOAIXSYHYJCJ-QWRGUYRKSA-N 0 3 258.337 2.086 10 0 CEAEHN CNc1ccccc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000227470885 344553551 /nfs/dbraw/zinc/55/35/51/344553551.db2.gz FBZNIZLZVAVEMG-STQMWFEESA-N 0 3 273.380 2.037 10 0 CEAEHN CN1CC[C@H](N)[C@@H]1c1sccc1Br ZINC000228022107 344558087 /nfs/dbraw/zinc/55/80/87/344558087.db2.gz JDGQWIBTRQGDCI-JGVFFNPUSA-N 0 3 261.188 2.215 10 0 CEAEHN O[C@H](c1occc1Br)[C@@H]1CCCCN1 ZINC000236545947 344596053 /nfs/dbraw/zinc/59/60/53/344596053.db2.gz NIZBBWAVGSSCNP-IUCAKERBSA-N 0 3 260.131 2.218 10 0 CEAEHN Cc1cc(Br)cc(NC(=O)[C@H](C)N)c1 ZINC000232069377 344576634 /nfs/dbraw/zinc/57/66/34/344576634.db2.gz SWBLEFMPERQMIF-ZETCQYMHSA-N 0 3 257.131 2.043 10 0 CEAEHN CN(CCOc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000052815602 362475756 /nfs/dbraw/zinc/47/57/56/362475756.db2.gz WUWFBSRVWQUSHX-ZDUSSCGKSA-N 0 3 299.386 2.312 10 0 CEAEHN C[C@@H]1NC(=O)OC12CCN(Cc1ccccc1)CC2 ZINC000307155295 344720409 /nfs/dbraw/zinc/72/04/09/344720409.db2.gz DWKZWIDXZXJFOK-LBPRGKRZSA-N 0 3 260.337 2.150 10 0 CEAEHN CCc1noc(C)c1CN(C)C[C@H]1CCc2nccn2C1 ZINC000328626022 344756599 /nfs/dbraw/zinc/75/65/99/344756599.db2.gz DSGPDUYSADTZNX-CYBMUJFWSA-N 0 3 288.395 2.436 10 0 CEAEHN COC(=O)c1csc(CNC[C@H](O)C(C)(C)C)c1 ZINC000602561424 347078219 /nfs/dbraw/zinc/07/82/19/347078219.db2.gz FISQZVQZVGVHGH-NSHDSACASA-N 0 3 271.382 2.031 10 0 CEAEHN CCOC(=O)c1cnc(N(C)C[C@@H]2CCCN2CC)s1 ZINC000383588260 344827521 /nfs/dbraw/zinc/82/75/21/344827521.db2.gz BUJMGEAWULWPSO-NSHDSACASA-N 0 3 297.424 2.240 10 0 CEAEHN Fc1ccc(Cl)cc1CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000404246151 344878380 /nfs/dbraw/zinc/87/83/80/344878380.db2.gz GAZTZDVUHCDBQV-KBPBESRZSA-N 0 3 284.762 2.042 10 0 CEAEHN Fc1ccc(Cl)cc1CN1CC[C@H]2OCCN[C@H]2C1 ZINC000404246157 344878671 /nfs/dbraw/zinc/87/86/71/344878671.db2.gz GAZTZDVUHCDBQV-UONOGXRCSA-N 0 3 284.762 2.042 10 0 CEAEHN OC[C@]1(C[C@H]2CO2)CCCN(Cc2ccccc2)C1 ZINC000584882609 344996368 /nfs/dbraw/zinc/99/63/68/344996368.db2.gz RGFAXADQLOUVQL-HOTGVXAUSA-N 0 3 261.365 2.050 10 0 CEAEHN CCOc1ccc2nc(NC(=O)[C@@H](C)NC)sc2c1 ZINC000054071590 362509377 /nfs/dbraw/zinc/50/93/77/362509377.db2.gz RUYDREOIYDNMLV-MRVPVSSYSA-N 0 3 279.365 2.241 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000054076084 362510433 /nfs/dbraw/zinc/51/04/33/362510433.db2.gz BNFRNXLBNYXICF-ZCFIWIBFSA-N 0 3 264.222 2.391 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H](C)C[C@H]2COCCN2)o1 ZINC000229194703 539453120 /nfs/dbraw/zinc/45/31/20/539453120.db2.gz FSTFFAXBTCQPES-WXHSDQCUSA-N 0 3 252.358 2.006 10 0 CEAEHN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCCN1 ZINC000156837095 295733111 /nfs/dbraw/zinc/73/31/11/295733111.db2.gz NWHPTOOTIGTZEK-GMTAPVOTSA-N 0 3 278.318 2.366 10 0 CEAEHN CCc1c(C)nc(-c2ccccc2)nc1N1CCNCC1 ZINC000058047387 362606442 /nfs/dbraw/zinc/60/64/42/362606442.db2.gz SSOZHKZKCWRGRB-UHFFFAOYSA-N 0 3 282.391 2.424 10 0 CEAEHN c1ccc(Sc2ccnc(N3CCNCC3)n2)cc1 ZINC000058825603 362640138 /nfs/dbraw/zinc/64/01/38/362640138.db2.gz RHNNCQVRPFXSDO-UHFFFAOYSA-N 0 3 272.377 2.037 10 0 CEAEHN CCN[C@@H](Cc1ccc(CC)cn1)c1ccnnc1 ZINC000097313342 185584362 /nfs/dbraw/zinc/58/43/62/185584362.db2.gz AJMZGVQAKXZSPG-HNNXBMFYSA-N 0 3 256.353 2.327 10 0 CEAEHN C[C@@](O)(CNC1CC1)c1occc1Br ZINC000085078335 178947730 /nfs/dbraw/zinc/94/77/30/178947730.db2.gz VNHGSMKCEBDATG-SNVBAGLBSA-N 0 3 260.131 2.002 10 0 CEAEHN N[C@@H](Cc1ccn(C2CCCC2)n1)c1ccncn1 ZINC000085183423 178966335 /nfs/dbraw/zinc/96/63/35/178966335.db2.gz LIUBRBHQSHAPTN-ZDUSSCGKSA-N 0 3 257.341 2.031 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2C[C@H](O)C2(C)C)c1C ZINC000128342401 187364597 /nfs/dbraw/zinc/36/45/97/187364597.db2.gz QJILSPOMNMVZIF-XDTLVQLUSA-N 0 3 265.401 2.330 10 0 CEAEHN CCN(CC)C(C)(C)[C@H](Cc1cc(F)ccc1F)NN ZINC000097580705 185630041 /nfs/dbraw/zinc/63/00/41/185630041.db2.gz HLMLNUMIRGHLDX-AWEZNQCLSA-N 0 3 285.382 2.460 10 0 CEAEHN CCC(CC)([C@H](Cc1c(F)cccc1F)NN)N(C)C ZINC000097586682 185631789 /nfs/dbraw/zinc/63/17/89/185631789.db2.gz DDJNGQHBYBHRGU-AWEZNQCLSA-N 0 3 285.382 2.460 10 0 CEAEHN CCC(CC)([C@H](NN)c1cccc2c1OCC2)N(C)C ZINC000097586731 185632166 /nfs/dbraw/zinc/63/21/66/185632166.db2.gz ULLUUTYPPQTJLY-OAHLLOKOSA-N 0 3 277.412 2.246 10 0 CEAEHN COCCSC[C@](CO)(NC1CC1)c1ccccc1 ZINC000085298010 179009209 /nfs/dbraw/zinc/00/92/09/179009209.db2.gz JGKRQHAZNVAOSC-HNNXBMFYSA-N 0 3 281.421 2.006 10 0 CEAEHN COC(CN[C@H]1C[C@@H](OCC(C)C)C1(C)C)OC ZINC000085400638 179051916 /nfs/dbraw/zinc/05/19/16/179051916.db2.gz LSWXZYMAQHSPIQ-NWDGAFQWSA-N 0 3 259.390 2.035 10 0 CEAEHN NCc1c[nH]c(-c2cccc(Br)c2)n1 ZINC000062820806 362724300 /nfs/dbraw/zinc/72/43/00/362724300.db2.gz QWNXSRIKTKPAJL-UHFFFAOYSA-N 0 3 252.115 2.298 10 0 CEAEHN CC(C)OCCN1C[C@@H](c2ccccc2)NC[C@@H]1C ZINC000085504269 179084066 /nfs/dbraw/zinc/08/40/66/179084066.db2.gz HPWHKHKKJUBHLU-HOCLYGCPSA-N 0 3 262.397 2.446 10 0 CEAEHN Cc1cc(Cl)cc(CNC[C@H]2CN(C)CCO2)c1 ZINC000339228987 215027679 /nfs/dbraw/zinc/02/76/79/215027679.db2.gz GAXXWWQHOUCPPE-AWEZNQCLSA-N 0 3 268.788 2.069 10 0 CEAEHN NCc1c[nH]c(-c2cc(F)cc(Br)c2)n1 ZINC000085634096 179108496 /nfs/dbraw/zinc/10/84/96/179108496.db2.gz HENHAYIIWGWOGL-UHFFFAOYSA-N 0 3 270.105 2.437 10 0 CEAEHN Cc1ncc(CN[C@H]2[C@H]3CCO[C@@H]3C2(C)C)s1 ZINC000085636580 179109827 /nfs/dbraw/zinc/10/98/27/179109827.db2.gz LQEVHUWJWRULQN-WOPDTQHZSA-N 0 3 252.383 2.355 10 0 CEAEHN CCN[C@@H](CO)c1ccc(Br)c(C)c1 ZINC000085708038 179122840 /nfs/dbraw/zinc/12/28/40/179122840.db2.gz JLPHTICYTOWYHY-NSHDSACASA-N 0 3 258.159 2.400 10 0 CEAEHN NCc1ccccc1NC(=O)c1ccc(Cl)cn1 ZINC000085810141 179177775 /nfs/dbraw/zinc/17/77/75/179177775.db2.gz DITNBONNTARNAS-UHFFFAOYSA-N 0 3 261.712 2.446 10 0 CEAEHN CCc1ccc(CC)c([C@@H](N)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000086022890 179218389 /nfs/dbraw/zinc/21/83/89/179218389.db2.gz AKHPKCVPLBNPMQ-HIFRSBDPSA-N 0 3 281.421 2.246 10 0 CEAEHN c1ccc([C@@H]2CN(CCc3ccncc3)CCN2)cc1 ZINC000086142003 179237322 /nfs/dbraw/zinc/23/73/22/179237322.db2.gz VXXVRCOBMYEIBL-KRWDZBQOSA-N 0 3 267.376 2.271 10 0 CEAEHN Cc1ncccc1CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000128527251 187375755 /nfs/dbraw/zinc/37/57/55/187375755.db2.gz YXALCGUYNQPMLT-CQSZACIVSA-N 0 3 256.353 2.113 10 0 CEAEHN CC(=O)N[C@@H]1CCCN([C@@H]2C=CCCCCC2)C1 ZINC000606432939 347471529 /nfs/dbraw/zinc/47/15/29/347471529.db2.gz ZDCJPRGLZKASEI-HUUCEWRRSA-N 0 3 250.386 2.476 10 0 CEAEHN Cc1cnc(CN2C[C@@H](c3ccccc3)NC[C@@H]2C)cn1 ZINC000086263052 179259706 /nfs/dbraw/zinc/25/97/06/179259706.db2.gz CCDAZSIWPXBQJS-YOEHRIQHSA-N 0 3 282.391 2.320 10 0 CEAEHN C[C@@H](CNc1nc(Br)cs1)N(C)C ZINC000086279112 179263074 /nfs/dbraw/zinc/26/30/74/179263074.db2.gz MVIZEHKQXLWTJO-LURJTMIESA-N 0 3 264.192 2.268 10 0 CEAEHN COc1ccc(CN[C@@H]2CCCC[C@@H]2CO)c(F)c1 ZINC000231311346 539567069 /nfs/dbraw/zinc/56/70/69/539567069.db2.gz PXROSVRJQSJLIV-IUODEOHRSA-N 0 3 267.344 2.475 10 0 CEAEHN COC[C@H](C)N(C)[C@@H](CN)c1cc(Cl)cs1 ZINC000086333296 179273487 /nfs/dbraw/zinc/27/34/87/179273487.db2.gz OIWLUWLMVOCCLE-WPRPVWTQSA-N 0 3 262.806 2.368 10 0 CEAEHN CCCN[C@@H]1CCCc2sc(N3CCOCC3)nc21 ZINC000086442116 179293561 /nfs/dbraw/zinc/29/35/61/179293561.db2.gz RZYZLYHNAUZKFX-LLVKDONJSA-N 0 3 281.425 2.357 10 0 CEAEHN CN(CCc1cccs1)c1ncc(CN)s1 ZINC000086441892 179293698 /nfs/dbraw/zinc/29/36/98/179293698.db2.gz GCAKWSPXHVGCKB-UHFFFAOYSA-N 0 3 253.396 2.342 10 0 CEAEHN CC1(C)COCCN1c1nc2c(s1)CCC[C@H]2N ZINC000086443852 179294202 /nfs/dbraw/zinc/29/42/02/179294202.db2.gz ZERYTIWYMGYFII-SECBINFHSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccc(C)c2O)[C@H](CC)CN1 ZINC000086445983 179295147 /nfs/dbraw/zinc/29/51/47/179295147.db2.gz PQLAMFVHDIAWFR-CHWSQXEVSA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(N(C)C)cc1 ZINC000086447892 179295787 /nfs/dbraw/zinc/29/57/87/179295787.db2.gz OFBXXLSWMAUKSU-LSDHHAIUSA-N 0 3 289.423 2.355 10 0 CEAEHN NCc1c(F)cccc1-n1cc(Br)cn1 ZINC000086476551 179300551 /nfs/dbraw/zinc/30/05/51/179300551.db2.gz RXCQTCKMVPSEHK-UHFFFAOYSA-N 0 3 270.105 2.233 10 0 CEAEHN CCN1CCO[C@@H](CN)[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584968 179309140 /nfs/dbraw/zinc/30/91/40/179309140.db2.gz XGFDQAJQEYGARP-KBPBESRZSA-N 0 3 284.787 2.069 10 0 CEAEHN COC[C@@H](C)NCCSc1nc(C)c(C)c(C)n1 ZINC000086645255 179316778 /nfs/dbraw/zinc/31/67/78/179316778.db2.gz CWOIMMAHUKYCSG-SECBINFHSA-N 0 3 269.414 2.118 10 0 CEAEHN CCN1CCC(O)([C@@H]2CCc3ccccc3N2)CC1 ZINC000086666657 179317039 /nfs/dbraw/zinc/31/70/39/179317039.db2.gz QXOANEGSZJEYRG-HNNXBMFYSA-N 0 3 260.381 2.260 10 0 CEAEHN C[C@H]1CC[C@H](C(=O)Nc2cccc(CN(C)C)c2)O1 ZINC000130421752 365954669 /nfs/dbraw/zinc/95/46/69/365954669.db2.gz QAPXZIURLQOCNQ-SMDDNHRTSA-N 0 3 262.353 2.254 10 0 CEAEHN COC(=O)[C@@]1(Nc2cccc(C)c2)CCCN(C)CC1 ZINC000086833232 179349733 /nfs/dbraw/zinc/34/97/33/179349733.db2.gz OACXLBGKUUZACS-MRXNPFEDSA-N 0 3 276.380 2.434 10 0 CEAEHN CN1CCC[C@](O)(c2ccc3c(c2)OCCCO3)CC1 ZINC000086834188 179350563 /nfs/dbraw/zinc/35/05/63/179350563.db2.gz CQPPLQRBDFUZQV-MRXNPFEDSA-N 0 3 277.364 2.151 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868692 179361817 /nfs/dbraw/zinc/36/18/17/179361817.db2.gz DPTRZXQJTHESTM-CQSZACIVSA-N 0 3 268.401 2.048 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868692 179361819 /nfs/dbraw/zinc/36/18/19/179361819.db2.gz DPTRZXQJTHESTM-CQSZACIVSA-N 0 3 268.401 2.048 10 0 CEAEHN CCC[C@@H]1CCC[C@@H](N(C)CC(=O)N2CCNCC2)CC1 ZINC000086950252 179368345 /nfs/dbraw/zinc/36/83/45/179368345.db2.gz BFLKKPKPJOWUPT-HZPDHXFCSA-N 0 3 295.471 2.099 10 0 CEAEHN C[C@H]1SCCC[C@@]1(CO)NCc1cccs1 ZINC000086968904 179370790 /nfs/dbraw/zinc/37/07/90/179370790.db2.gz YWQRXDATWZPHNF-PWSUYJOCSA-N 0 3 257.424 2.484 10 0 CEAEHN CCCN1C(=O)CC[C@@H](N)[C@H]1c1ccc(OC)c(F)c1 ZINC000086995155 179375860 /nfs/dbraw/zinc/37/58/60/179375860.db2.gz RZPUSZKNRLRIDG-IUODEOHRSA-N 0 3 280.343 2.235 10 0 CEAEHN COc1ccc([C@H]2[C@H](N)CCC(=O)N2CC(C)C)cc1F ZINC000086995204 179376173 /nfs/dbraw/zinc/37/61/73/179376173.db2.gz LKDZZIIELZSZJO-CJNGLKHVSA-N 0 3 294.370 2.481 10 0 CEAEHN CCC1CCC(O)(CNCc2ccc(C(=O)OC)o2)CC1 ZINC000087053416 179388587 /nfs/dbraw/zinc/38/85/87/179388587.db2.gz UGROFXIRCKWKIX-UHFFFAOYSA-N 0 3 295.379 2.487 10 0 CEAEHN O=C(CNCC1(O)CCCCC1)Nc1c(F)cccc1F ZINC000087029247 179382378 /nfs/dbraw/zinc/38/23/78/179382378.db2.gz ZLEZVCFWIWFZRV-UHFFFAOYSA-N 0 3 298.333 2.188 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2cc(OC)cc(OC)c2)O1 ZINC000087090355 179394439 /nfs/dbraw/zinc/39/44/39/179394439.db2.gz WCDKJMJHDYUXNH-FZMZJTMJSA-N 0 3 251.326 2.143 10 0 CEAEHN CC[C@H]1CNC[C@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000087090255 179394467 /nfs/dbraw/zinc/39/44/67/179394467.db2.gz NHBVIMIBBPBOFD-SMDDNHRTSA-N 0 3 281.352 2.152 10 0 CEAEHN C[C@@H](NCC1(O)CCC(C)CC1)C(=O)N1CCCCCC1 ZINC000087062525 179389512 /nfs/dbraw/zinc/38/95/12/179389512.db2.gz ZOCGHRKAKPGZDX-ISXOHVOVSA-N 0 3 296.455 2.308 10 0 CEAEHN C[C@@H]1CCC[C@](O)(CNCC(=O)Nc2ccc(F)cc2)C1 ZINC000087064330 179390015 /nfs/dbraw/zinc/39/00/15/179390015.db2.gz OAMHVGVOMKUPCK-MLGOLLRUSA-N 0 3 294.370 2.295 10 0 CEAEHN CC1(C)CCC(O)(CN2CCC[C@@H](NC3CC3)C2=O)CC1 ZINC000087071268 179391412 /nfs/dbraw/zinc/39/14/12/179391412.db2.gz UBZYKRMBASZPKK-CQSZACIVSA-N 0 3 294.439 2.061 10 0 CEAEHN CCc1ccc(C[C@@]2(O)CCN(C3CC3)C2)s1 ZINC000087166326 179398538 /nfs/dbraw/zinc/39/85/38/179398538.db2.gz HDYFNUJXVFYSFZ-AWEZNQCLSA-N 0 3 251.395 2.452 10 0 CEAEHN CNCc1cccc(Br)c1O[C@H](C)[C@@H](C)O ZINC000087125551 179395951 /nfs/dbraw/zinc/39/59/51/179395951.db2.gz VNGSFFKVMARKNU-RKDXNWHRSA-N 0 3 288.185 2.317 10 0 CEAEHN C[C@@H](O)[C@@H](C)Oc1c(Br)cccc1CN ZINC000087125541 179396009 /nfs/dbraw/zinc/39/60/09/179396009.db2.gz IZFCOBCRLXHSMA-HTQZYQBOSA-N 0 3 274.158 2.056 10 0 CEAEHN C(c1noc2c1CCCC2)N1CCN2CCCC[C@H]2C1 ZINC000248368214 539629264 /nfs/dbraw/zinc/62/92/64/539629264.db2.gz UXPXIMDIOFVVKS-ZDUSSCGKSA-N 0 3 275.396 2.224 10 0 CEAEHN CN[C@H](CC(=O)OC)c1ccc(OC)c(OC(F)F)c1 ZINC000087553150 179445130 /nfs/dbraw/zinc/44/51/30/179445130.db2.gz GVHJNZJVBMLTQH-SECBINFHSA-N 0 3 289.278 2.120 10 0 CEAEHN OCCc1ccccc1[C@H]1CN(Cc2ccccc2)CCN1 ZINC000616633137 348542106 /nfs/dbraw/zinc/54/21/06/348542106.db2.gz KVEMJMPTQPKJRY-LJQANCHMSA-N 0 3 296.414 2.368 10 0 CEAEHN c1ccc(CN2CCCO[C@@H](c3ccnnc3)C2)cc1 ZINC000616651375 348548626 /nfs/dbraw/zinc/54/86/26/348548626.db2.gz MWDAYYKFFRTNKG-MRXNPFEDSA-N 0 3 269.348 2.440 10 0 CEAEHN CC(C)=CC(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000616569780 348523569 /nfs/dbraw/zinc/52/35/69/348523569.db2.gz KEKQDCDKHUZGNN-CABCVRRESA-N 0 3 276.355 2.435 10 0 CEAEHN CCN1CCO[C@@H](c2ccc(NC(C)=O)cc2)CC1 ZINC000616595931 348528231 /nfs/dbraw/zinc/52/82/31/348528231.db2.gz ZTLUSDHADRLIQI-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN OCCN1CCCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000616597356 348529565 /nfs/dbraw/zinc/52/95/65/348529565.db2.gz DMDQFSKWTYZYMC-CYBMUJFWSA-N 0 3 255.745 2.096 10 0 CEAEHN CC[C@@H](CN)[S@@](=O)c1cccc(Br)c1 ZINC000088145406 179555840 /nfs/dbraw/zinc/55/58/40/179555840.db2.gz YHNKGGHZVBQGPP-XPTSAGLGSA-N 0 3 276.199 2.294 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(c2ccccc2F)C[C@H]1C ZINC000249069969 539654728 /nfs/dbraw/zinc/65/47/28/539654728.db2.gz KTFAZBPFXWZXQJ-CZUORRHYSA-N 0 3 280.387 2.497 10 0 CEAEHN Cc1sc2[nH]c(CNCCC3CC3)nc(=O)c2c1C ZINC000088457392 179607982 /nfs/dbraw/zinc/60/79/82/179607982.db2.gz FTRNQRZJZRTACL-UHFFFAOYSA-N 0 3 277.393 2.491 10 0 CEAEHN Cc1ccc(C(=O)N2CCNCC23CCCCC3)o1 ZINC000088396118 179590851 /nfs/dbraw/zinc/59/08/51/179590851.db2.gz RWNKYNCEGUDDRN-UHFFFAOYSA-N 0 3 262.353 2.336 10 0 CEAEHN CCC[C@H](CC)NS(=O)(=O)c1ccc(CNCC)o1 ZINC000088542539 179620641 /nfs/dbraw/zinc/62/06/41/179620641.db2.gz OPDDINCSEFAPPE-NSHDSACASA-N 0 3 288.413 2.246 10 0 CEAEHN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1CNC1CC1 ZINC000088976591 179687976 /nfs/dbraw/zinc/68/79/76/179687976.db2.gz FPYOUOXJAGVUMI-UHFFFAOYSA-N 0 3 296.436 2.324 10 0 CEAEHN CC(C)NCc1ccccc1S(=O)(=O)N(C)CC1CC1 ZINC000088973636 179688844 /nfs/dbraw/zinc/68/88/44/179688844.db2.gz JQABHZKSGAOHNY-UHFFFAOYSA-N 0 3 296.436 2.215 10 0 CEAEHN CC[C@@H](C)NS(=O)(=O)c1cc(CNC)ccc1Cl ZINC000088978160 179689251 /nfs/dbraw/zinc/68/92/51/179689251.db2.gz FRZITKZNXDQVFE-SECBINFHSA-N 0 3 290.816 2.136 10 0 CEAEHN CCCCN([C@H](C)CC)S(=O)(=O)[C@@H](C)CNCC ZINC000089005858 179690937 /nfs/dbraw/zinc/69/09/37/179690937.db2.gz DBDMBPGKYONUJB-OLZOCXBDSA-N 0 3 278.462 2.215 10 0 CEAEHN CCN(CC1CC1)S(=O)(=O)c1cc(CNC)ccc1C ZINC000089039180 179692958 /nfs/dbraw/zinc/69/29/58/179692958.db2.gz BBCUJCGPSDFYPD-UHFFFAOYSA-N 0 3 296.436 2.135 10 0 CEAEHN CCOc1ccccc1OCCN1C[C@@H](C)C[C@H](O)C1 ZINC000401484555 233181707 /nfs/dbraw/zinc/18/17/07/233181707.db2.gz BVYZXJMZYAZHCQ-KBPBESRZSA-N 0 3 279.380 2.167 10 0 CEAEHN CCc1cc(CN2CCN[C@@H](c3ccccc3)C2)n(C)n1 ZINC000089208530 179754780 /nfs/dbraw/zinc/75/47/80/179754780.db2.gz QMEQBKCDBJLLPP-QGZVFWFLSA-N 0 3 284.407 2.129 10 0 CEAEHN CCc1nn(C)c(CNC[C@H]2CCCC[C@H]2O)c1Cl ZINC000089319302 179768935 /nfs/dbraw/zinc/76/89/35/179768935.db2.gz WLNHCJBHWIJPGI-ZWNOBZJWSA-N 0 3 285.819 2.277 10 0 CEAEHN Cc1nn(C)cc1[C@H](C)NC[C@@](C)(O)CC(C)C ZINC000090271036 179944211 /nfs/dbraw/zinc/94/42/11/179944211.db2.gz ALYUMYAHAUQXHW-FZMZJTMJSA-N 0 3 253.390 2.176 10 0 CEAEHN CCN(c1c(F)c(F)c(F)c(F)c1F)C1CNC1 ZINC000090292245 179951139 /nfs/dbraw/zinc/95/11/39/179951139.db2.gz FMVBRTZSRVPQNK-UHFFFAOYSA-N 0 3 266.213 2.180 10 0 CEAEHN CC(C)(C)c1ccc(CN[C@@H]2CCOC[C@@H]2O)cc1 ZINC000623765958 350106307 /nfs/dbraw/zinc/10/63/07/350106307.db2.gz ZUKLCQDCLPBHIT-CABCVRRESA-N 0 3 263.381 2.224 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1cc(Cl)cc(Cl)c1 ZINC000623765407 350106452 /nfs/dbraw/zinc/10/64/52/350106452.db2.gz SOTCSLRTAQMUIF-NEPJUHHUSA-N 0 3 276.163 2.233 10 0 CEAEHN CCCn1c2ccc(F)cc2nc1[C@]1(C)COC[C@@H]1N ZINC000090571720 180007779 /nfs/dbraw/zinc/00/77/79/180007779.db2.gz WBAJJIFLDQECMO-DZGCQCFKSA-N 0 3 277.343 2.201 10 0 CEAEHN CCc1cccc(CC)c1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090580281 180008238 /nfs/dbraw/zinc/00/82/38/180008238.db2.gz XDRKNDZQCBAGCH-BBRMVZONSA-N 0 3 276.380 2.114 10 0 CEAEHN C[C@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)COC[C@@H]1N ZINC000090580616 180008716 /nfs/dbraw/zinc/00/87/16/180008716.db2.gz JFQQYILDZDUXIB-JQWIXIFHSA-N 0 3 289.162 2.296 10 0 CEAEHN CCC1CCC(c2noc([C@@]3(C)COC[C@@H]3N)n2)CC1 ZINC000090574135 180008802 /nfs/dbraw/zinc/00/88/02/180008802.db2.gz QYJUKOHKGVKUJT-UFDFEIGVSA-N 0 3 279.384 2.369 10 0 CEAEHN C[C@]1(C(=O)Nc2cc(Cl)ccc2Cl)COC[C@H]1N ZINC000090580140 180008843 /nfs/dbraw/zinc/00/88/43/180008843.db2.gz BWVHTTHBRRDRRE-PWSUYJOCSA-N 0 3 289.162 2.296 10 0 CEAEHN CC(C)(C)c1ccccc1NC(=O)[C@]1(C)COC[C@H]1N ZINC000090586095 180009565 /nfs/dbraw/zinc/00/95/65/180009565.db2.gz FGNAAHYLPSZTQT-CZUORRHYSA-N 0 3 276.380 2.286 10 0 CEAEHN CCCOc1cc(C)ccc1NC(=O)[C@@]1(C)COC[C@H]1N ZINC000090589980 180010156 /nfs/dbraw/zinc/01/01/56/180010156.db2.gz RUXXEIKUWRVWDC-ZBFHGGJFSA-N 0 3 292.379 2.086 10 0 CEAEHN CCOC(=O)N1CCCSC[C@H]1CN1CCCCC1 ZINC000090701529 180027904 /nfs/dbraw/zinc/02/79/04/180027904.db2.gz JTDZEFJKFGUYMA-CYBMUJFWSA-N 0 3 286.441 2.436 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)c1cccs1 ZINC000090699995 180028017 /nfs/dbraw/zinc/02/80/17/180028017.db2.gz YOMUZOBXSLFXTK-NSHDSACASA-N 0 3 284.450 2.257 10 0 CEAEHN C[C@@H](NC(=O)N1CC(N)C1)c1ccc(C(F)(F)F)cc1 ZINC000090765432 180037600 /nfs/dbraw/zinc/03/76/00/180037600.db2.gz UUNXGWIUNZCZOM-MRVPVSSYSA-N 0 3 287.285 2.119 10 0 CEAEHN NC(=S)C1CCN(C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893198 180054725 /nfs/dbraw/zinc/05/47/25/180054725.db2.gz HWJUEYDMJWOKHD-ZDUSSCGKSA-N 0 3 294.395 2.127 10 0 CEAEHN OC[C@H](NC[C@@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892760 180055032 /nfs/dbraw/zinc/05/50/32/180055032.db2.gz JMAMEOCRSIRQRV-HOTGVXAUSA-N 0 3 287.334 2.452 10 0 CEAEHN CCN(CCC(=O)OC)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090900802 180059143 /nfs/dbraw/zinc/05/91/43/180059143.db2.gz BDKPYGJADMQDJV-CQSZACIVSA-N 0 3 277.364 2.184 10 0 CEAEHN Cc1ccc(C)c([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905709 180059857 /nfs/dbraw/zinc/05/98/57/180059857.db2.gz PPUAKTDEIIEVHX-IJEWVQPXSA-N 0 3 260.381 2.166 10 0 CEAEHN CCNCc1ccn(C[C@H]2Cc3cc(C)ccc3O2)n1 ZINC000090901944 180060450 /nfs/dbraw/zinc/06/04/50/180060450.db2.gz ZIPHTGFQHAROSB-OAHLLOKOSA-N 0 3 271.364 2.305 10 0 CEAEHN CCc1ccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905865 180061007 /nfs/dbraw/zinc/06/10/07/180061007.db2.gz FUAVFVBBEWBZDM-OWCLPIDISA-N 0 3 260.381 2.112 10 0 CEAEHN CC(C)Oc1cccc([C@@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905829 180061367 /nfs/dbraw/zinc/06/13/67/180061367.db2.gz PNRXLBQXCMBJIW-IXDOHACOSA-N 0 3 290.407 2.337 10 0 CEAEHN COC[C@@H](NCc1sccc1NC(C)=O)C(C)C ZINC000090960837 180076281 /nfs/dbraw/zinc/07/62/81/180076281.db2.gz QZJDERVAZNMGKY-GFCCVEGCSA-N 0 3 270.398 2.467 10 0 CEAEHN N[C@@H](CNC(=O)[C@H]1Cc2ccccc21)c1ccccc1 ZINC000090985444 180080988 /nfs/dbraw/zinc/08/09/88/180080988.db2.gz PNJVJNOIBUDBLP-HOTGVXAUSA-N 0 3 266.344 2.143 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)NC[C@H]1Cc2ccccc21 ZINC000090992600 180082427 /nfs/dbraw/zinc/08/24/27/180082427.db2.gz KZCUTKFSXXMKMR-GXTWGEPZSA-N 0 3 260.381 2.173 10 0 CEAEHN NCc1cccn1CC(=O)Nc1cccc(Cl)c1 ZINC000090995104 180082816 /nfs/dbraw/zinc/08/28/16/180082816.db2.gz FSBQATNEAIMAIR-UHFFFAOYSA-N 0 3 263.728 2.239 10 0 CEAEHN CCNCc1cccn1CC(=O)Nc1ccc(OC)cc1 ZINC000090995962 180083312 /nfs/dbraw/zinc/08/33/12/180083312.db2.gz DLNXFJMRQIYNDD-UHFFFAOYSA-N 0 3 287.363 2.245 10 0 CEAEHN CC(C)CNCc1nccn1CCOCC(F)(F)F ZINC000091002819 180083965 /nfs/dbraw/zinc/08/39/65/180083965.db2.gz SPDSPUDZDYPOAL-UHFFFAOYSA-N 0 3 279.306 2.208 10 0 CEAEHN CCc1c(CNC)cnn1-c1ccc(F)cc1F ZINC000091335401 180136432 /nfs/dbraw/zinc/13/64/32/180136432.db2.gz RPMDLGQLABUCMU-UHFFFAOYSA-N 0 3 251.280 2.432 10 0 CEAEHN CCNCc1cnn(-c2ccncc2)c1C(F)F ZINC000091337092 180136631 /nfs/dbraw/zinc/13/66/31/180136631.db2.gz MXBOPQUCPOVABU-UHFFFAOYSA-N 0 3 252.268 2.314 10 0 CEAEHN COc1ncccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091359844 180140607 /nfs/dbraw/zinc/14/06/07/180140607.db2.gz LYNMGJXUYLUDCS-AGIUHOORSA-N 0 3 289.379 2.340 10 0 CEAEHN Cc1nn(C)c(S[C@@H](C)CCO)c1CNC(C)(C)C ZINC000091268351 180117245 /nfs/dbraw/zinc/11/72/45/180117245.db2.gz NFSHYWCSESWDMC-JTQLQIEISA-N 0 3 285.457 2.480 10 0 CEAEHN CC(C)(C)N1C(=O)CCC[C@@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275605 180118523 /nfs/dbraw/zinc/11/85/23/180118523.db2.gz VCGFUWYOXBBADW-IUODEOHRSA-N 0 3 290.411 2.397 10 0 CEAEHN CC(C)CN1C(=O)CCC[C@@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275608 180118633 /nfs/dbraw/zinc/11/86/33/180118633.db2.gz XVUKBLCNQYDELI-CJNGLKHVSA-N 0 3 290.411 2.255 10 0 CEAEHN CC(C)(C)N1C(=O)CC[C@@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275544 180118693 /nfs/dbraw/zinc/11/86/93/180118693.db2.gz VTRFWJPVOIIDSM-BXUZGUMPSA-N 0 3 276.384 2.007 10 0 CEAEHN CC(C)(C)N1C(=O)CCC[C@@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275604 180118700 /nfs/dbraw/zinc/11/87/00/180118700.db2.gz VCGFUWYOXBBADW-DOMZBBRYSA-N 0 3 290.411 2.397 10 0 CEAEHN CC[C@@H](C)N(CC)[C@@H](CN)c1cncn1C1CC1 ZINC000091276235 180120230 /nfs/dbraw/zinc/12/02/30/180120230.db2.gz ZGKGXXHILJOPLP-YPMHNXCESA-N 0 3 250.390 2.338 10 0 CEAEHN O=C(C[C@@H]1CSCCN1)Nc1cc(F)cc(F)c1F ZINC000091291128 180122699 /nfs/dbraw/zinc/12/26/99/180122699.db2.gz CQLHEFJKICJINV-MRVPVSSYSA-N 0 3 290.310 2.138 10 0 CEAEHN CC1(C)CCN(C[C@@H](O)c2ccc3c(c2)OCO3)C1 ZINC000091439746 180156084 /nfs/dbraw/zinc/15/60/84/180156084.db2.gz XHRZOVNCAZBHLQ-GFCCVEGCSA-N 0 3 263.337 2.181 10 0 CEAEHN CCCNc1cccc(C(=O)N2CCC[C@@H](N(C)C)C2)n1 ZINC000091449379 180157639 /nfs/dbraw/zinc/15/76/39/180157639.db2.gz RXZHVWXXKXLJJJ-CYBMUJFWSA-N 0 3 290.411 2.070 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccncc2Cl)[C@H](CC)CN1 ZINC000091457083 180160033 /nfs/dbraw/zinc/16/00/33/180160033.db2.gz MYXOXOZFIZLFCX-GHMZBOCLSA-N 0 3 281.787 2.338 10 0 CEAEHN CCN1C(=O)C[C@H](N)[C@H]1c1ccc(Br)c(C)c1 ZINC000091476284 180165851 /nfs/dbraw/zinc/16/58/51/180165851.db2.gz VUSWGADBXIFGPG-WCQYABFASA-N 0 3 297.196 2.378 10 0 CEAEHN c1ncc(CN[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000091409751 180148353 /nfs/dbraw/zinc/14/83/53/180148353.db2.gz FAKOHETXJSUOQD-CQSZACIVSA-N 0 3 257.337 2.039 10 0 CEAEHN CCN(CC(F)(F)F)c1cncc(CNC(C)C)n1 ZINC000091419767 180150522 /nfs/dbraw/zinc/15/05/22/180150522.db2.gz KGLIMORNSWNBQR-UHFFFAOYSA-N 0 3 276.306 2.363 10 0 CEAEHN CCN[C@@H](c1cncnc1)C(C)(C)N1CCCCC1 ZINC000091565078 180193711 /nfs/dbraw/zinc/19/37/11/180193711.db2.gz OAWXYGQSIZZQNB-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN CCn1nccc1[C@H](N)C(C)(C)N1CCCCC1 ZINC000091564354 180193775 /nfs/dbraw/zinc/19/37/75/180193775.db2.gz YOXAMTFBOZCPRW-ZDUSSCGKSA-N 0 3 250.390 2.167 10 0 CEAEHN CCCN[C@@H](c1ccco1)C(C)(C)N1CCOCC1 ZINC000091567140 180194950 /nfs/dbraw/zinc/19/49/50/180194950.db2.gz SPXODUXBHQWFTB-AWEZNQCLSA-N 0 3 266.385 2.431 10 0 CEAEHN CCc1cc(CC(=O)[C@](C)(CC)N(C)C)n(CC)n1 ZINC000091568723 180195064 /nfs/dbraw/zinc/19/50/64/180195064.db2.gz UWEJPKBVTLTCKG-HNNXBMFYSA-N 0 3 265.401 2.307 10 0 CEAEHN CCn1ccnc1[C@H](NC)[C@@](C)(CC)N1CCCC1 ZINC000091606728 180204597 /nfs/dbraw/zinc/20/45/97/180204597.db2.gz QGKXBVUBYBPILG-DZGCQCFKSA-N 0 3 264.417 2.428 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccccc1C)N1CCOCC1 ZINC000091611584 180206234 /nfs/dbraw/zinc/20/62/34/180206234.db2.gz GLCCFDJARMQWNG-JKSUJKDBSA-N 0 3 262.397 2.496 10 0 CEAEHN CCc1cc(CC(=O)C(CC)(CC)N(C)C)n(C)n1 ZINC000091613372 180207921 /nfs/dbraw/zinc/20/79/21/180207921.db2.gz HBMURXVRAPBKOD-UHFFFAOYSA-N 0 3 265.401 2.215 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)C(C)(C)N(C)C)c1 ZINC000091528521 180180681 /nfs/dbraw/zinc/18/06/81/180180681.db2.gz GMCZDYICNVOSDH-CYBMUJFWSA-N 0 3 252.358 2.044 10 0 CEAEHN CCC1CCC(N[C@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000105025771 186038917 /nfs/dbraw/zinc/03/89/17/186038917.db2.gz SEPXXLMRILSSSM-BPCQOVAHSA-N 0 3 266.385 2.081 10 0 CEAEHN CN[C@@H](c1cc(Cl)cnc1N)C1(N(C)C)CCCC1 ZINC000091637558 180212104 /nfs/dbraw/zinc/21/21/04/180212104.db2.gz SFWRXZZMTKYGFE-LBPRGKRZSA-N 0 3 282.819 2.452 10 0 CEAEHN CCCn1ccnc1[C@@H](NC)C1(N(C)C)CCCC1 ZINC000091637810 180212132 /nfs/dbraw/zinc/21/21/32/180212132.db2.gz LNQKKYRENSSQDL-CYBMUJFWSA-N 0 3 264.417 2.428 10 0 CEAEHN CC1CCC(C(=O)C2CCOCC2)(N(C)C)CC1 ZINC000091648227 180215638 /nfs/dbraw/zinc/21/56/38/180215638.db2.gz SJKDOKNNTLMCKS-UHFFFAOYSA-N 0 3 253.386 2.493 10 0 CEAEHN CC1CCC(C(=O)Cc2cccnc2N)(N(C)C)CC1 ZINC000091648292 180215888 /nfs/dbraw/zinc/21/58/88/180215888.db2.gz JIYMEKIYDOJRFS-UHFFFAOYSA-N 0 3 275.396 2.286 10 0 CEAEHN Cc1cc(CC(=O)[C@@]2(N(C)C)CCC[C@H](C)C2)n(C)n1 ZINC000091649660 180216066 /nfs/dbraw/zinc/21/60/66/180216066.db2.gz LMXBDPOMUPCLGY-BLLLJJGKSA-N 0 3 277.412 2.351 10 0 CEAEHN C[C@@H]1CCC[C@](C(=O)Cc2cccnc2N)(N(C)C)C1 ZINC000091650486 180216692 /nfs/dbraw/zinc/21/66/92/180216692.db2.gz ZKEAFSRRUKHHLJ-WBMJQRKESA-N 0 3 275.396 2.286 10 0 CEAEHN CCN[C@@H](c1ccc(CC)cc1)[C@@H]1CN(C)CCO1 ZINC000091718746 180233174 /nfs/dbraw/zinc/23/31/74/180233174.db2.gz KMNGULFQECHFDE-HOTGVXAUSA-N 0 3 262.397 2.230 10 0 CEAEHN CCN[C@H](c1csc(C)c1)[C@H]1CN(C)CCO1 ZINC000091718813 180233616 /nfs/dbraw/zinc/23/36/16/180233616.db2.gz XECCIUAVKLJUBK-CHWSQXEVSA-N 0 3 254.399 2.038 10 0 CEAEHN CCCN[C@@H](c1cccc(OC)c1)[C@H]1CN(C)CCO1 ZINC000091719044 180234604 /nfs/dbraw/zinc/23/46/04/180234604.db2.gz AEPSWFDWUPSTAK-CVEARBPZSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](c1ccc(F)c(C)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720960 180235086 /nfs/dbraw/zinc/23/50/86/180235086.db2.gz PVCLJSMIEKBRAV-FVQBIDKESA-N 0 3 278.371 2.258 10 0 CEAEHN CN[C@@H]1CCCc2nc([C@@H]3CN4CCC[C@@H]4CO3)sc21 ZINC000091722454 180239674 /nfs/dbraw/zinc/23/96/74/180239674.db2.gz XQRIIDYUWVBCIT-WZRBSPASSA-N 0 3 293.436 2.276 10 0 CEAEHN CCN[C@H](c1cccc(OC)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721631 180238124 /nfs/dbraw/zinc/23/81/24/180238124.db2.gz KEUHRONNHDPIKV-DJIMGWMZSA-N 0 3 290.407 2.209 10 0 CEAEHN COC(=O)c1ccc([C@H](C)N2CCCC[C@@H]2CCO)o1 ZINC000091780240 180252467 /nfs/dbraw/zinc/25/24/67/180252467.db2.gz OXRAHMIULANWHZ-NWDGAFQWSA-N 0 3 281.352 2.364 10 0 CEAEHN CCC[C@H](C)NC(=O)Cn1cccc1[C@H](C)NC ZINC000091801222 180258829 /nfs/dbraw/zinc/25/88/29/180258829.db2.gz VKRLYMOONQHGIJ-RYUDHWBXSA-N 0 3 251.374 2.073 10 0 CEAEHN CCC[C@@H](C)NC(=O)Cn1cccc1[C@H](C)NC ZINC000091801220 180259078 /nfs/dbraw/zinc/25/90/78/180259078.db2.gz VKRLYMOONQHGIJ-NEPJUHHUSA-N 0 3 251.374 2.073 10 0 CEAEHN CCN[C@H](C)c1csc([C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722521 180239937 /nfs/dbraw/zinc/23/99/37/180239937.db2.gz UDVVJZPKJNNJCZ-NQBHXWOUSA-N 0 3 281.425 2.349 10 0 CEAEHN CCCN[C@H](c1ccoc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722291 180240223 /nfs/dbraw/zinc/24/02/23/180240223.db2.gz PZUNBHYOFWHHGN-RBSFLKMASA-N 0 3 264.369 2.184 10 0 CEAEHN CCCNCc1csc([C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722563 180240593 /nfs/dbraw/zinc/24/05/93/180240593.db2.gz HKOMTIPUPYBVDA-CHWSQXEVSA-N 0 3 281.425 2.178 10 0 CEAEHN CN1CCO[C@H](CNCc2ccc(-c3ccccc3)o2)C1 ZINC000105471753 186058884 /nfs/dbraw/zinc/05/88/84/186058884.db2.gz GWOFDPCSXQCRNZ-MRXNPFEDSA-N 0 3 286.375 2.367 10 0 CEAEHN Cc1noc(CCNCc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000105469785 186059827 /nfs/dbraw/zinc/05/98/27/186059827.db2.gz VWFOPPZJWQQODC-JOYOIKCWSA-N 0 3 261.325 2.427 10 0 CEAEHN CCNCc1ncoc1-c1cc(OC)cc(OC)c1 ZINC000091957748 180292073 /nfs/dbraw/zinc/29/20/73/180292073.db2.gz CYFQOGGJPYFGPX-UHFFFAOYSA-N 0 3 262.309 2.468 10 0 CEAEHN CCOc1ccc(NC(=O)N(CC)CC)cc1CN ZINC000091962597 180293268 /nfs/dbraw/zinc/29/32/68/180293268.db2.gz YUNKRKZXSWRKKT-UHFFFAOYSA-N 0 3 265.357 2.418 10 0 CEAEHN Cc1ccc(OCC(=O)N(C)C(C)C)c(CNC(C)C)n1 ZINC000091995438 180302058 /nfs/dbraw/zinc/30/20/58/180302058.db2.gz KANHBWJENLPFEI-UHFFFAOYSA-N 0 3 293.411 2.134 10 0 CEAEHN CC[C@@H](O)COc1ccc(C)nc1CNC(C)(C)C ZINC000091996130 180302245 /nfs/dbraw/zinc/30/22/45/180302245.db2.gz CKOXBYIMFCDYDN-GFCCVEGCSA-N 0 3 266.385 2.428 10 0 CEAEHN Cc1nc(Cl)c(N2CC[C@H]3CC[C@@H](C2)N3C)nc1C ZINC000092023763 180308405 /nfs/dbraw/zinc/30/84/05/180308405.db2.gz APUPVXQSLRYQIR-NEPJUHHUSA-N 0 3 280.803 2.420 10 0 CEAEHN CCCNCc1c(C)nc(C(C)(C)OC)nc1C ZINC000092141018 180333520 /nfs/dbraw/zinc/33/35/20/180333520.db2.gz NZOOPKRAYYLIFV-UHFFFAOYSA-N 0 3 251.374 2.475 10 0 CEAEHN Cc1ccc(N)cc1NC(=O)CN1C[C@H](C)[C@H](C)C1 ZINC000092081447 180319355 /nfs/dbraw/zinc/31/93/55/180319355.db2.gz QDQJHPJBLKTELR-TXEJJXNPSA-N 0 3 261.369 2.104 10 0 CEAEHN Cc1c(N)cccc1NC(=O)CN1C[C@H](C)[C@H](C)C1 ZINC000092081632 180319411 /nfs/dbraw/zinc/31/94/11/180319411.db2.gz OHZVYIIPYDRIRG-PHIMTYICSA-N 0 3 261.369 2.104 10 0 CEAEHN CNCc1ccnn1C[C@H]1CSc2ccccc21 ZINC000092295432 180358363 /nfs/dbraw/zinc/35/83/63/180358363.db2.gz CBDMGOPEQKMYCR-NSHDSACASA-N 0 3 259.378 2.492 10 0 CEAEHN CCOCCN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105918190 186088562 /nfs/dbraw/zinc/08/85/62/186088562.db2.gz YDGNSPLGINVQTE-CQSZACIVSA-N 0 3 298.452 2.090 10 0 CEAEHN Cc1nn(C)c(C)c1CNCc1c[nH]c2ncccc12 ZINC000092324502 180362370 /nfs/dbraw/zinc/36/23/70/180362370.db2.gz GEJWYYQRFWEURG-UHFFFAOYSA-N 0 3 269.352 2.203 10 0 CEAEHN CCn1cnnc1C1CCN(C[C@H]2CCCCO2)CC1 ZINC000105929613 186092632 /nfs/dbraw/zinc/09/26/32/186092632.db2.gz ASIVYJLYDAXJON-CQSZACIVSA-N 0 3 278.400 2.047 10 0 CEAEHN COCCN1CCN(Cc2ccc(C)cc2)C[C@H]1C ZINC000106109485 186102781 /nfs/dbraw/zinc/10/27/81/186102781.db2.gz BXLYEQGHGLZQJD-OAHLLOKOSA-N 0 3 262.397 2.148 10 0 CEAEHN O[C@@H](CN1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000105886669 186084551 /nfs/dbraw/zinc/08/45/51/186084551.db2.gz HLOSITRQQUXATH-KRWDZBQOSA-N 0 3 285.391 2.329 10 0 CEAEHN CC(C)[C@H]1CO[C@H](c2nc3ccccc3n2C)CN1 ZINC000092403206 180378085 /nfs/dbraw/zinc/37/80/85/180378085.db2.gz KOLQWLZWDRWZBX-OCCSQVGLSA-N 0 3 259.353 2.259 10 0 CEAEHN COc1ccc([C@H]2CN[C@H](C(C)C)CO2)c(OC)c1 ZINC000092403147 180378363 /nfs/dbraw/zinc/37/83/63/180378363.db2.gz PNUWTSCFOMESGT-DZGCQCFKSA-N 0 3 265.353 2.389 10 0 CEAEHN CCCNc1ccnc(CN(C)[C@H](C)COC)c1 ZINC000092418393 180381461 /nfs/dbraw/zinc/38/14/61/180381461.db2.gz FJSYCBHSGIHNTD-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN CCNc1ccnc(CN(C)[C@H]2CCSC2)c1 ZINC000092418125 180381508 /nfs/dbraw/zinc/38/15/08/180381508.db2.gz YVBUSMSIECYIML-ZDUSSCGKSA-N 0 3 251.399 2.451 10 0 CEAEHN Nc1ccnc(Cn2ccc(=O)c3ccccc32)c1 ZINC000092419749 180382688 /nfs/dbraw/zinc/38/26/88/180382688.db2.gz SUMVGBLLWHWNPK-UHFFFAOYSA-N 0 3 251.289 2.027 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@H](OCCOC(C)C)CC2 ZINC000092386485 180373706 /nfs/dbraw/zinc/37/37/06/180373706.db2.gz DAQSLHUCQYFEGE-HZPDHXFCSA-N 0 3 279.380 2.451 10 0 CEAEHN FC(F)(F)CNCCN[C@@H]1C[C@@H]1c1ccccc1 ZINC000092435261 180385168 /nfs/dbraw/zinc/38/51/68/180385168.db2.gz YRMOLQTWGLRFHY-VXGBXAGGSA-N 0 3 258.287 2.284 10 0 CEAEHN O=C(CN[C@@H]1CCCOC1)Nc1cccc(Cl)c1 ZINC000109546831 186261818 /nfs/dbraw/zinc/26/18/18/186261818.db2.gz LXCBIGRKFPXLOE-GFCCVEGCSA-N 0 3 268.744 2.047 10 0 CEAEHN CNCc1cc(N(C)CCOC)c2ccccc2n1 ZINC000109589250 186264685 /nfs/dbraw/zinc/26/46/85/186264685.db2.gz CZOYOTWYFGIYCU-UHFFFAOYSA-N 0 3 259.353 2.037 10 0 CEAEHN Cc1nnc(Sc2cc(Cl)ccc2CN)n1C ZINC000109686475 186269051 /nfs/dbraw/zinc/26/90/51/186269051.db2.gz ZOXSJOSPIJJPAI-UHFFFAOYSA-N 0 3 268.773 2.387 10 0 CEAEHN COC[C@H](C)Cn1c(N)nc2cc(F)c(OC)cc21 ZINC000110630033 186307922 /nfs/dbraw/zinc/30/79/22/186307922.db2.gz LKFOXGPQVZTWSY-MRVPVSSYSA-N 0 3 267.304 2.049 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CCc1cccnc1 ZINC000110629672 186308108 /nfs/dbraw/zinc/30/81/08/186308108.db2.gz GJNOZSSTNUGBMW-UHFFFAOYSA-N 0 3 286.310 2.404 10 0 CEAEHN C[C@H]1CCCN(S(=O)(=O)Cc2ccccc2CN)CC1 ZINC000110809003 186326291 /nfs/dbraw/zinc/32/62/91/186326291.db2.gz VLVPIAOMTOCDNJ-ZDUSSCGKSA-N 0 3 296.436 2.097 10 0 CEAEHN COC[C@H](C)NCCOc1ccccc1SC ZINC000110985753 186339249 /nfs/dbraw/zinc/33/92/49/186339249.db2.gz NHWBXXCDLXOLTF-NSHDSACASA-N 0 3 255.383 2.412 10 0 CEAEHN CN[C@@H](CN1CCN(C)[C@@H](C)C1)c1cc2ccccc2o1 ZINC000110713219 186316532 /nfs/dbraw/zinc/31/65/32/186316532.db2.gz COSGSPZQIXSYNI-ZFWWWQNUSA-N 0 3 287.407 2.329 10 0 CEAEHN COc1ccc([C@@H](O)[C@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110736512 186319179 /nfs/dbraw/zinc/31/91/79/186319179.db2.gz UYCYOCGRGPJVDP-BBRMVZONSA-N 0 3 292.423 2.143 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CCN(C)C1 ZINC000110777164 186322331 /nfs/dbraw/zinc/32/23/31/186322331.db2.gz WFACEDOGNNSWDR-JTQLQIEISA-N 0 3 296.392 2.123 10 0 CEAEHN CC[C@H]1CN(c2nc(C)c(CNC3CC3)s2)CCN1C ZINC000110760278 186323895 /nfs/dbraw/zinc/32/38/95/186323895.db2.gz HAPVRFKHHTYOAV-ZDUSSCGKSA-N 0 3 294.468 2.234 10 0 CEAEHN Cc1cc2c(nc(Cc3cccnc3)nc2NN)s1 ZINC000110778621 186323999 /nfs/dbraw/zinc/32/39/99/186323999.db2.gz MKNPCZJXDBIWQL-UHFFFAOYSA-N 0 3 271.349 2.271 10 0 CEAEHN NC(=S)c1cc(F)ccc1OCCN1CCCCC1 ZINC000111034014 186346760 /nfs/dbraw/zinc/34/67/60/186346760.db2.gz DVNMBVAENUUNQA-UHFFFAOYSA-N 0 3 282.384 2.325 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000111160993 186363321 /nfs/dbraw/zinc/36/33/21/186363321.db2.gz FVKUFFILRBAWSG-LXZKKBNFSA-N 0 3 290.407 2.067 10 0 CEAEHN CCCNCc1cccc(OCCOCCC)n1 ZINC000111110892 186354013 /nfs/dbraw/zinc/35/40/13/186354013.db2.gz JAFDAIUJGSWYQS-UHFFFAOYSA-N 0 3 252.358 2.387 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1cccc(OC)c1OC ZINC000111117814 186354569 /nfs/dbraw/zinc/35/45/69/186354569.db2.gz YFOGLMHLUPYMBG-CQSZACIVSA-N 0 3 296.411 2.062 10 0 CEAEHN Cc1ccc(C(=O)[C@@H](C)N(C)CCCN(C)C)cc1 ZINC000111139896 186356972 /nfs/dbraw/zinc/35/69/72/186356972.db2.gz UDALDEILEYNSBO-CQSZACIVSA-N 0 3 262.397 2.450 10 0 CEAEHN CC(=O)c1c(F)cccc1N(C)CCCN(C)C ZINC000111138326 186357006 /nfs/dbraw/zinc/35/70/06/186357006.db2.gz OGDJPNDWKPFEBO-UHFFFAOYSA-N 0 3 252.333 2.416 10 0 CEAEHN CN(C)CCN(C)CC(=O)c1ccc(Br)cc1 ZINC000111139553 186357011 /nfs/dbraw/zinc/35/70/11/186357011.db2.gz VWXMYKXILZYLTF-UHFFFAOYSA-N 0 3 299.212 2.125 10 0 CEAEHN CN(C)CCN(C)CCC(=O)c1ccc(Cl)cc1 ZINC000111146420 186358955 /nfs/dbraw/zinc/35/89/55/186358955.db2.gz BLMJOQIMTAOYJF-UHFFFAOYSA-N 0 3 268.788 2.406 10 0 CEAEHN COc1ccccc1[C@H](CN)N(C)C[C@@H]1CCCOC1 ZINC000111154292 186360303 /nfs/dbraw/zinc/36/03/03/186360303.db2.gz GBXBQFVXIYHKOP-ZFWWWQNUSA-N 0 3 278.396 2.053 10 0 CEAEHN CN(Cc1cccc(C(N)=S)c1)C[C@@H]1CCCOC1 ZINC000111163062 186364125 /nfs/dbraw/zinc/36/41/25/186364125.db2.gz CUTVTJYQWZJCTF-ZDUSSCGKSA-N 0 3 278.421 2.179 10 0 CEAEHN NCc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)nc1 ZINC000111281609 186387705 /nfs/dbraw/zinc/38/77/05/186387705.db2.gz ZNJJLWNIOFXEJL-UONOGXRCSA-N 0 3 273.380 2.193 10 0 CEAEHN NCc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)nc1 ZINC000111281177 186388070 /nfs/dbraw/zinc/38/80/70/186388070.db2.gz UIRHTVCSGIUHSD-UHFFFAOYSA-N 0 3 285.391 2.239 10 0 CEAEHN CCOc1ccc(NC(=O)c2ccc(CN)cn2)cc1 ZINC000111281193 186388074 /nfs/dbraw/zinc/38/80/74/186388074.db2.gz OXYZBMIAGVQQHS-UHFFFAOYSA-N 0 3 271.320 2.191 10 0 CEAEHN CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CN)cn1 ZINC000111281787 186388231 /nfs/dbraw/zinc/38/82/31/186388231.db2.gz XTNANQFGULMGQK-OLZOCXBDSA-N 0 3 261.369 2.239 10 0 CEAEHN NCc1ccc(C(=O)N2CCC3(CCCC3)CC2)nc1 ZINC000111282498 186389519 /nfs/dbraw/zinc/38/95/19/186389519.db2.gz FRUIMIMMHJUXCH-UHFFFAOYSA-N 0 3 273.380 2.337 10 0 CEAEHN NCc1ccc(C(=O)Nc2cc(F)c(F)cc2F)nc1 ZINC000111282374 186390229 /nfs/dbraw/zinc/39/02/29/186390229.db2.gz WCQJQYJRLKKHCY-UHFFFAOYSA-N 0 3 281.237 2.210 10 0 CEAEHN Cc1nc(Cl)c(C)c(NC2CCN(C)CC2)n1 ZINC000111296113 186392382 /nfs/dbraw/zinc/39/23/82/186392382.db2.gz OHVOQNJZMIHRTB-UHFFFAOYSA-N 0 3 254.765 2.253 10 0 CEAEHN Cc1nc(CN2C[C@H]3CCCCN3C[C@@H]2C)[nH]c1C ZINC000628180236 350993671 /nfs/dbraw/zinc/99/36/71/350993671.db2.gz HHADIHGZJMYIJZ-SMDDNHRTSA-N 0 3 262.401 2.085 10 0 CEAEHN CN1CC[C@@H](N)[C@@H]1c1ccc(Br)s1 ZINC000069799120 363001585 /nfs/dbraw/zinc/00/15/85/363001585.db2.gz JHVOODYTMGTXRV-HZGVNTEJSA-N 0 3 261.188 2.215 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@H](O)C(C)C)c1C ZINC000131328321 366043046 /nfs/dbraw/zinc/04/30/46/366043046.db2.gz CAVNPSBXODLWHO-GWCFXTLKSA-N 0 3 253.390 2.187 10 0 CEAEHN CCc1cc(N2CCNCC2)nc(-c2ccc(C)cc2)n1 ZINC000070451609 363084051 /nfs/dbraw/zinc/08/40/51/363084051.db2.gz CRTXQGJRFJDVOQ-UHFFFAOYSA-N 0 3 282.391 2.424 10 0 CEAEHN CCC[C@H](C(=O)N(C)CCc1cccs1)N(C)C ZINC000122583341 187039721 /nfs/dbraw/zinc/03/97/21/187039721.db2.gz KLGMIUBOHKTNSG-CYBMUJFWSA-N 0 3 268.426 2.479 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(c2cccs2)CC1 ZINC000123644408 187102209 /nfs/dbraw/zinc/10/22/09/187102209.db2.gz WIUKFKHEFZQKDS-CYBMUJFWSA-N 0 3 254.399 2.031 10 0 CEAEHN CC(C)CN(CCN(C)C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250591767 539966653 /nfs/dbraw/zinc/96/66/53/539966653.db2.gz LGFUTJJJPFGHNA-BTTYYORXSA-N 0 3 252.402 2.079 10 0 CEAEHN CCC[C@H](C(=O)N1CCC[C@H](n2cc(C)cn2)C1)N(C)C ZINC000155640370 188218634 /nfs/dbraw/zinc/21/86/34/188218634.db2.gz DIGPHQMBGXTFOC-LSDHHAIUSA-N 0 3 292.427 2.085 10 0 CEAEHN CN(C)C[C@@H]1CN(CCSc2ccccc2F)CCO1 ZINC000155340318 188200391 /nfs/dbraw/zinc/20/03/91/188200391.db2.gz MISZYFINELZFFM-CYBMUJFWSA-N 0 3 298.427 2.180 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]cnc3c2)C1 ZINC000155362825 188200680 /nfs/dbraw/zinc/20/06/80/188200680.db2.gz ZGKDKCDLEAPZRL-ABAIWWIYSA-N 0 3 286.379 2.021 10 0 CEAEHN CCCC(CCC)C(=O)N[C@H](CN)C(F)(F)F ZINC000401876951 540100560 /nfs/dbraw/zinc/10/05/60/540100560.db2.gz ODAVSTHYVJIVJN-SECBINFHSA-N 0 3 254.296 2.209 10 0 CEAEHN COc1cc(Br)cc2cc(CN)c(=O)[nH]c21 ZINC000675070162 540111878 /nfs/dbraw/zinc/11/18/78/540111878.db2.gz QOOHTKSPZVTEHW-UHFFFAOYSA-N 0 3 283.125 2.170 10 0 CEAEHN NCc1cc2c(F)c(Br)cc(F)c2[nH]c1=O ZINC000675070185 540111932 /nfs/dbraw/zinc/11/19/32/540111932.db2.gz QYHDWUBISZUHAP-UHFFFAOYSA-N 0 3 289.079 2.440 10 0 CEAEHN Cc1ncsc1C1=C[C@@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675079101 540119517 /nfs/dbraw/zinc/11/95/17/540119517.db2.gz WHQDSLDXCDJZDM-LLVKDONJSA-N 0 3 295.408 2.413 10 0 CEAEHN CC(C)N[S@@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675075837 540116991 /nfs/dbraw/zinc/11/69/91/540116991.db2.gz SHLRAALIXSQTSB-QGZVFWFLSA-N 0 3 253.371 2.171 10 0 CEAEHN CCN(CC)[C@@H](C)CNC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000153367093 540156186 /nfs/dbraw/zinc/15/61/86/540156186.db2.gz JVEUFYWPYAIZIS-FPMFFAJLSA-N 0 3 282.428 2.084 10 0 CEAEHN CCOc1ccccc1OCCN1CC[C@H](CCO)C1 ZINC000075767693 363487933 /nfs/dbraw/zinc/48/79/33/363487933.db2.gz IFLRLDPTQFMVFS-CQSZACIVSA-N 0 3 279.380 2.168 10 0 CEAEHN Cc1noc(C)c1[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155508375 540298181 /nfs/dbraw/zinc/29/81/81/540298181.db2.gz BJKGVQUROKPPCD-MJVIPROJSA-N 0 3 293.411 2.240 10 0 CEAEHN CCC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(C)C ZINC000137742596 366547755 /nfs/dbraw/zinc/54/77/55/366547755.db2.gz LTKVHLRBZKICGI-MRXNPFEDSA-N 0 3 292.423 2.474 10 0 CEAEHN NC(=O)c1ccc([C@H]2NCCc3ccccc32)cc1 ZINC000144585031 366571934 /nfs/dbraw/zinc/57/19/34/366571934.db2.gz ZWFFUVPCHUPUKW-OAHLLOKOSA-N 0 3 252.317 2.021 10 0 CEAEHN NCc1cc(Br)cc(Br)n1 ZINC000095766594 283525716 /nfs/dbraw/zinc/52/57/16/283525716.db2.gz SARCKGMSSIDYJZ-UHFFFAOYSA-N 0 3 265.936 2.065 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCOc1ccccc1 ZINC000177035973 189022270 /nfs/dbraw/zinc/02/22/70/189022270.db2.gz VAZCMKVPWPBYSP-HNNXBMFYSA-N 0 3 290.407 2.398 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)COCc2ccccc2)C1 ZINC000177062161 189025504 /nfs/dbraw/zinc/02/55/04/189025504.db2.gz VCDMFJBAOGZXMZ-ZBFHGGJFSA-N 0 3 290.407 2.048 10 0 CEAEHN COC(=O)[C@H](c1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000177760153 189067028 /nfs/dbraw/zinc/06/70/28/189067028.db2.gz OJYOTTQGVMLBQD-CVEARBPZSA-N 0 3 288.391 2.071 10 0 CEAEHN Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1ccccc1 ZINC000178305028 189104928 /nfs/dbraw/zinc/10/49/28/189104928.db2.gz LNVHDPCYTDBQTQ-MRXNPFEDSA-N 0 3 298.390 2.295 10 0 CEAEHN CC(C)Cc1ccc([C@@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000179059118 189165938 /nfs/dbraw/zinc/16/59/38/189165938.db2.gz ASUMBCJATNPVLJ-IUODEOHRSA-N 0 3 260.381 2.424 10 0 CEAEHN COc1ccc([C@@H](C)CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000179637275 189208837 /nfs/dbraw/zinc/20/88/37/189208837.db2.gz VIDORQPAYNZRKR-XJKSGUPXSA-N 0 3 290.407 2.351 10 0 CEAEHN O[C@@H]1CCCN[C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000003622561 361286871 /nfs/dbraw/zinc/28/68/71/361286871.db2.gz XMOKTMYFZDJYQI-IAGOWNOFSA-N 0 3 283.371 2.035 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cnn(CC(C)C)c1 ZINC000181248404 189292512 /nfs/dbraw/zinc/29/25/12/189292512.db2.gz CVUPZXJSPINYTJ-OAHLLOKOSA-N 0 3 292.427 2.095 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000082287044 363759846 /nfs/dbraw/zinc/75/98/46/363759846.db2.gz CGVGGIVGAHEKIC-SECBINFHSA-N 0 3 270.735 2.255 10 0 CEAEHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)COCc1ccccc1 ZINC000084963736 363827867 /nfs/dbraw/zinc/82/78/67/363827867.db2.gz VTROOSJAPURTND-YCPHGPKFSA-N 0 3 295.448 2.390 10 0 CEAEHN O=C(N[C@@H]1CCCN(C2CCC2)C1)c1ccc2n[nH]cc2c1 ZINC000089196923 363947316 /nfs/dbraw/zinc/94/73/16/363947316.db2.gz HZECIBIWEYMBFU-CQSZACIVSA-N 0 3 298.390 2.310 10 0 CEAEHN c1[nH]nc(-c2cccnc2)c1CN1CCN2CCCC[C@@H]2C1 ZINC000092616193 364087552 /nfs/dbraw/zinc/08/75/52/364087552.db2.gz LSJPIZXKEPMUHI-MRXNPFEDSA-N 0 3 297.406 2.142 10 0 CEAEHN CC(C)(C)n1cc(CN2CCN3CCCC[C@@H]3C2)cn1 ZINC000092616246 364087766 /nfs/dbraw/zinc/08/77/66/364087766.db2.gz UXAPSFYVVPGXRC-OAHLLOKOSA-N 0 3 276.428 2.308 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCN2 ZINC000092630066 364090356 /nfs/dbraw/zinc/09/03/56/364090356.db2.gz BRVWPUWZPJDCDE-HNNXBMFYSA-N 0 3 287.407 2.211 10 0 CEAEHN CCN1CCC[C@H]1CN(C)c1ncc(Br)cn1 ZINC000092670746 364097634 /nfs/dbraw/zinc/09/76/34/364097634.db2.gz DWNUOQOGYVZGPT-NSHDSACASA-N 0 3 299.216 2.160 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1Cc1nccs1 ZINC000094448968 364275527 /nfs/dbraw/zinc/27/55/27/364275527.db2.gz CCMQMJVUNSXALY-VXGBXAGGSA-N 0 3 251.399 2.202 10 0 CEAEHN CC(=O)c1c(F)cccc1N1CCN2CCC[C@@H]2C1 ZINC000096474813 364423398 /nfs/dbraw/zinc/42/33/98/364423398.db2.gz CMRBXJGBQYHYGP-GFCCVEGCSA-N 0 3 262.328 2.313 10 0 CEAEHN NCc1cc2ccccc2nc1I ZINC000098095801 364532226 /nfs/dbraw/zinc/53/22/26/364532226.db2.gz FWDBGRUMEFILLD-UHFFFAOYSA-N 0 3 284.100 2.298 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(Cl)s2)C1 ZINC000113266885 364880999 /nfs/dbraw/zinc/88/09/99/364880999.db2.gz YEXBLQXHIMMWQY-JTQLQIEISA-N 0 3 274.817 2.212 10 0 CEAEHN Cc1ccc([C@H](C)NCC[C@@H]2CCS(=O)(=O)C2)o1 ZINC000680406417 541409375 /nfs/dbraw/zinc/40/93/75/541409375.db2.gz ZZMKNHIYNDQLKG-NWDGAFQWSA-N 0 3 271.382 2.063 10 0 CEAEHN C[C@H]1C[C@@H]1NCc1ccccc1OCC(=O)NCC1CC1 ZINC000116338854 365051427 /nfs/dbraw/zinc/05/14/27/365051427.db2.gz RBMSAKYJZPGLAA-WFASDCNBSA-N 0 3 288.391 2.090 10 0 CEAEHN Cc1cccc(NC(=O)N2CCO[C@H](CN(C)C)C2)c1C ZINC000118786984 365178927 /nfs/dbraw/zinc/17/89/27/365178927.db2.gz FJUVIKFBSTUINE-CQSZACIVSA-N 0 3 291.395 2.098 10 0 CEAEHN c1cnn(CC2CCN(CCOCC3CC3)CC2)c1 ZINC000119248891 365243154 /nfs/dbraw/zinc/24/31/54/365243154.db2.gz MSERJMDTYTWYGJ-UHFFFAOYSA-N 0 3 263.385 2.022 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1ccc(OC)c(Cl)c1 ZINC000119219497 365238342 /nfs/dbraw/zinc/23/83/42/365238342.db2.gz QODKZZVBJCJDJL-LLVKDONJSA-N 0 3 270.760 2.092 10 0 CEAEHN Cc1ccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)o1 ZINC000120189373 365387123 /nfs/dbraw/zinc/38/71/23/365387123.db2.gz DFQZNQXTHSENTE-CQSZACIVSA-N 0 3 286.379 2.479 10 0 CEAEHN CCCNC(=O)NC(=O)CN[C@@H](C)c1ccc(CC)cc1 ZINC000120420149 365423217 /nfs/dbraw/zinc/42/32/17/365423217.db2.gz VDUPGLGVUDBXRO-LBPRGKRZSA-N 0 3 291.395 2.135 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(CC[C@@H]2CCOC2=O)C1 ZINC000120496239 365432839 /nfs/dbraw/zinc/43/28/39/365432839.db2.gz BVPZUJRGNDWSCA-ZIAGYGMSSA-N 0 3 291.395 2.036 10 0 CEAEHN COCCN1CCN(Cc2cccc3[nH]ccc32)C[C@H]1C ZINC000120854161 365485590 /nfs/dbraw/zinc/48/55/90/365485590.db2.gz DRYFJDLEFBIBFP-CQSZACIVSA-N 0 3 287.407 2.320 10 0 CEAEHN CCC[C@H](C(=O)NC[C@](C)(O)CCC(C)C)N(C)C ZINC000120924556 365494992 /nfs/dbraw/zinc/49/49/92/365494992.db2.gz OIDJVFLPYGOTDF-UKRRQHHQSA-N 0 3 272.433 2.020 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H](C)C(C)C ZINC000245426158 370818084 /nfs/dbraw/zinc/81/80/84/370818084.db2.gz URLBPMKDIWDQAJ-OLZOCXBDSA-N 0 3 255.406 2.157 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc(COC)cc1)N(C)C ZINC000161519430 367093521 /nfs/dbraw/zinc/09/35/21/367093521.db2.gz DHTKQQWSVDYHSH-OAHLLOKOSA-N 0 3 278.396 2.180 10 0 CEAEHN CCC[C@H](C(=O)NC[C@H](C)Oc1ccccc1F)N(C)C ZINC000162327213 367151179 /nfs/dbraw/zinc/15/11/79/367151179.db2.gz ZMZTYADIUOZVFC-GXTWGEPZSA-N 0 3 296.386 2.440 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](C)Oc1ccccc1F)N(C)C ZINC000162327085 367151701 /nfs/dbraw/zinc/15/17/01/367151701.db2.gz ZMZTYADIUOZVFC-JSGCOSHPSA-N 0 3 296.386 2.440 10 0 CEAEHN Cc1nc([C@@H]2CN(C[C@H]3CCC[C@@H](C)C3)CCO2)n[nH]1 ZINC000245535177 370832886 /nfs/dbraw/zinc/83/28/86/370832886.db2.gz KITRSJNMRBBKOR-XBFCOCLRSA-N 0 3 278.400 2.313 10 0 CEAEHN C[C@H](O)CN1CCN(CCCc2cccc(F)c2)C[C@@H]1C ZINC000245529273 370833199 /nfs/dbraw/zinc/83/31/99/370833199.db2.gz RGILBWDXZCDZKE-GJZGRUSLSA-N 0 3 294.414 2.145 10 0 CEAEHN CC1(C)CN(CC2(O)CCC2)CCN1Cc1ccccc1 ZINC000341360993 367303439 /nfs/dbraw/zinc/30/34/39/367303439.db2.gz HCPMKCAOXRGKTI-UHFFFAOYSA-N 0 3 288.435 2.498 10 0 CEAEHN CCOCc1cccc(NC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000171084032 367474520 /nfs/dbraw/zinc/47/45/20/367474520.db2.gz AUBPLPPPXFRCJC-HNNXBMFYSA-N 0 3 291.395 2.391 10 0 CEAEHN CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170837060 367429913 /nfs/dbraw/zinc/42/99/13/367429913.db2.gz ZCKLCBJOOAFSCS-HZPDHXFCSA-N 0 3 289.423 2.353 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170861215 367432550 /nfs/dbraw/zinc/43/25/50/367432550.db2.gz HGTUINFQQRQLIL-KBPBESRZSA-N 0 3 275.396 2.402 10 0 CEAEHN Cc1[nH]c2ccccc2c1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170857620 367433094 /nfs/dbraw/zinc/43/30/94/367433094.db2.gz PHYMQNKHVIZROM-LBPRGKRZSA-N 0 3 271.364 2.252 10 0 CEAEHN COc1ccc(Cl)cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861987 367433821 /nfs/dbraw/zinc/43/38/21/367433821.db2.gz RCNRUENJCPACJS-LLVKDONJSA-N 0 3 282.771 2.125 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)c2ccccc2n1 ZINC000170862644 367434133 /nfs/dbraw/zinc/43/41/33/367434133.db2.gz QCFCERUFQPSBBN-CYBMUJFWSA-N 0 3 283.375 2.319 10 0 CEAEHN Cn1cc([C@@H]2CCCN2C[C@H](O)Cc2ccccc2)cn1 ZINC000171412289 367536287 /nfs/dbraw/zinc/53/62/87/367536287.db2.gz ZCNLPTGCWNZWPX-SJORKVTESA-N 0 3 285.391 2.161 10 0 CEAEHN O=C(NCc1cccc(Cl)c1)N1CCN2CCC[C@H]2C1 ZINC000171897295 367635631 /nfs/dbraw/zinc/63/56/31/367635631.db2.gz LOZUFKRRTJAJNK-AWEZNQCLSA-N 0 3 293.798 2.330 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000172355058 367725631 /nfs/dbraw/zinc/72/56/31/367725631.db2.gz PSQILGDLHGZMFV-XJKSGUPXSA-N 0 3 280.387 2.275 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000245897897 370884335 /nfs/dbraw/zinc/88/43/35/370884335.db2.gz SVQQJGFBQCUSSH-NHIYQJMISA-N 0 3 292.423 2.077 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000173575062 367925157 /nfs/dbraw/zinc/92/51/57/367925157.db2.gz XFRZTPXNGZYRNK-SWLSCSKDSA-N 0 3 276.355 2.236 10 0 CEAEHN C[C@H](CNC(=O)N1CC[C@H](N(C)C)C1)Cc1cccs1 ZINC000173914034 367958964 /nfs/dbraw/zinc/95/89/64/367958964.db2.gz BNYPQDUHBTWCNI-STQMWFEESA-N 0 3 295.452 2.272 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1cccc(C)c1 ZINC000175357715 368129008 /nfs/dbraw/zinc/12/90/08/368129008.db2.gz NMGNEYYXBKIVBI-INIZCTEOSA-N 0 3 289.423 2.350 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cccnc1 ZINC000176307017 368222372 /nfs/dbraw/zinc/22/23/72/368222372.db2.gz XHDQREGIJYIPPN-CYBMUJFWSA-N 0 3 262.357 2.030 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ncccc1C ZINC000176333913 368226692 /nfs/dbraw/zinc/22/66/92/368226692.db2.gz YDZQDLJLVDMEEA-AWEZNQCLSA-N 0 3 290.411 2.016 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)N(C)CCN(C)C ZINC000176127808 368204770 /nfs/dbraw/zinc/20/47/70/368204770.db2.gz PQONUMIUVJVDMY-ZDUSSCGKSA-N 0 3 263.385 2.259 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCCCSC ZINC000177525717 368269904 /nfs/dbraw/zinc/26/99/04/368269904.db2.gz AWYFNXLWLKYULR-ZDUSSCGKSA-N 0 3 287.473 2.255 10 0 CEAEHN CCC[C@@H](C)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000180101209 368367917 /nfs/dbraw/zinc/36/79/17/368367917.db2.gz DTNDFYPTXPGTNZ-OLZOCXBDSA-N 0 3 280.416 2.493 10 0 CEAEHN CCCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000052816798 541651509 /nfs/dbraw/zinc/65/15/09/541651509.db2.gz XBIHDDHFLYJBQK-CQSZACIVSA-N 0 3 263.385 2.389 10 0 CEAEHN Cc1ccc(C[C@@H](C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000181200443 368431198 /nfs/dbraw/zinc/43/11/98/368431198.db2.gz YRQWCKHQVMCNFF-GDBMZVCRSA-N 0 3 274.408 2.336 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2cc(C)ccc2OC)C1 ZINC000163854794 541680561 /nfs/dbraw/zinc/68/05/61/541680561.db2.gz IPUZIROTPTZZMJ-LSDHHAIUSA-N 0 3 292.423 2.375 10 0 CEAEHN O=S1(=O)CCC[C@H](N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000183285556 368620352 /nfs/dbraw/zinc/62/03/52/368620352.db2.gz IWMJGMXGQFLNBO-DZGCQCFKSA-N 0 3 297.395 2.370 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCc3c2cccc3F)C1 ZINC000184468844 368697588 /nfs/dbraw/zinc/69/75/88/368697588.db2.gz SFYHRRNEXILAFN-GFCCVEGCSA-N 0 3 291.370 2.382 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCc3c2cccc3F)C1 ZINC000184468824 368697888 /nfs/dbraw/zinc/69/78/88/368697888.db2.gz SFYHRRNEXILAFN-LBPRGKRZSA-N 0 3 291.370 2.382 10 0 CEAEHN Cc1ccc(F)cc1CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246030480 370900899 /nfs/dbraw/zinc/90/08/99/370900899.db2.gz WALBEADZHUGNLF-KGLIPLIRSA-N 0 3 280.387 2.021 10 0 CEAEHN CCC[C@H](C)CS(=O)(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000246067463 370904873 /nfs/dbraw/zinc/90/48/73/370904873.db2.gz DSRPJSRPQOTIGV-MJBXVCDLSA-N 0 3 290.473 2.071 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cnn(C)c2)C12CCOCC2 ZINC000186356233 368962485 /nfs/dbraw/zinc/96/24/85/368962485.db2.gz HAHVAGZKCQCXPC-AEGPPILISA-N 0 3 293.411 2.045 10 0 CEAEHN COc1cc([C@H](C)N[C@H]2CCC(=O)N[C@H]2C)ccc1F ZINC000348332583 369007988 /nfs/dbraw/zinc/00/79/88/369007988.db2.gz BBTVJEGBIZPRBK-KWBADKCTSA-N 0 3 280.343 2.152 10 0 CEAEHN O=C(c1cccnc1C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000188364436 369344546 /nfs/dbraw/zinc/34/45/46/369344546.db2.gz MHWPOHLEWRGPLN-JTQLQIEISA-N 0 3 299.296 2.021 10 0 CEAEHN Fc1cc(Cl)ccc1CN[C@@H]1CCc2ncnn2C1 ZINC000189011916 369442780 /nfs/dbraw/zinc/44/27/80/369442780.db2.gz UNLFAPUWSDFQDI-LLVKDONJSA-N 0 3 280.734 2.175 10 0 CEAEHN CCC[C@@H](C(=O)NCc1cc(F)ccc1OC)N(C)C ZINC000188681400 369393503 /nfs/dbraw/zinc/39/35/03/369393503.db2.gz NFPKTJXEGWWQGG-ZDUSSCGKSA-N 0 3 282.359 2.181 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCSC ZINC000246357266 370950541 /nfs/dbraw/zinc/95/05/41/370950541.db2.gz XPANLDUYMLRUMK-UTUOFQBUSA-N 0 3 257.399 2.156 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 ZINC000246668901 370991868 /nfs/dbraw/zinc/99/18/68/370991868.db2.gz GCZOFRBUPJOCJB-HFTRVMKXSA-N 0 3 284.403 2.053 10 0 CEAEHN Cc1cncc(CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000189892365 369577280 /nfs/dbraw/zinc/57/72/80/369577280.db2.gz XHEVGQVLQGDHJX-AWEZNQCLSA-N 0 3 256.353 2.113 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCC(=O)OC(C)(C)C ZINC000191916547 369754531 /nfs/dbraw/zinc/75/45/31/369754531.db2.gz NXFGTKHZGPKCIQ-CYBMUJFWSA-N 0 3 298.427 2.051 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC000192338930 369797783 /nfs/dbraw/zinc/79/77/83/369797783.db2.gz XHTZTQFTXVOZLB-KOLCDFICSA-N 0 3 270.760 2.392 10 0 CEAEHN C[C@@]1(C(=O)N2CCc3ccc(F)cc32)CCCCN1 ZINC000227694810 370379828 /nfs/dbraw/zinc/37/98/28/370379828.db2.gz SCGFNCOZCKICMY-HNNXBMFYSA-N 0 3 262.328 2.247 10 0 CEAEHN CC(C)n1cncc1CN[C@H]1CCCC[C@@H]1CO ZINC000231295784 370476142 /nfs/dbraw/zinc/47/61/42/370476142.db2.gz WXFIOEFXLWSHLY-OCCSQVGLSA-N 0 3 251.374 2.105 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC(C)(C)C(F)(F)CC ZINC000638601584 370630973 /nfs/dbraw/zinc/63/09/73/370630973.db2.gz ROVHRYUSMIRWGD-SECBINFHSA-N 0 3 250.333 2.302 10 0 CEAEHN CC(C)(N)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000236806734 370631188 /nfs/dbraw/zinc/63/11/88/370631188.db2.gz LMIRXBALSREXPD-SNVBAGLBSA-N 0 3 274.286 2.014 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccoc1C ZINC000247077621 371061342 /nfs/dbraw/zinc/06/13/42/371061342.db2.gz ZCCJIRVPGUCUAV-OLZOCXBDSA-N 0 3 262.353 2.287 10 0 CEAEHN CC(C)c1noc([C@H](C)N2CCN3CCC[C@H]3C2)n1 ZINC000247129130 371068412 /nfs/dbraw/zinc/06/84/12/371068412.db2.gz KFHIQOIAWDFSJV-RYUDHWBXSA-N 0 3 264.373 2.034 10 0 CEAEHN c1ccc(-c2nnc(CN3CCN4CCC[C@H]4C3)o2)cc1 ZINC000247203441 371075554 /nfs/dbraw/zinc/07/55/54/371075554.db2.gz PCIRUGFLBOMXSV-AWEZNQCLSA-N 0 3 284.363 2.017 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2nccs2)C1 ZINC000247408028 371104110 /nfs/dbraw/zinc/10/41/10/371104110.db2.gz RMKNVTGGTAVQBK-VXGBXAGGSA-N 0 3 296.440 2.013 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(c2ccccc2)CC1 ZINC000247545514 371124474 /nfs/dbraw/zinc/12/44/74/371124474.db2.gz YTUCPHIMDTVKCZ-ZBFHGGJFSA-N 0 3 284.403 2.413 10 0 CEAEHN COCCN1CCN([C@H](C)c2ccccc2)C[C@@H]1C ZINC000247596993 371129646 /nfs/dbraw/zinc/12/96/46/371129646.db2.gz KJSBMXYEYWIDLW-LSDHHAIUSA-N 0 3 262.397 2.400 10 0 CEAEHN COC(=O)[C@H](C)CN1CCC(C(F)(F)F)CC1 ZINC000088422892 284251865 /nfs/dbraw/zinc/25/18/65/284251865.db2.gz LBGWMYZWEQTWGC-MRVPVSSYSA-N 0 3 253.264 2.070 10 0 CEAEHN O[C@H](CN1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1F ZINC000247990464 371153807 /nfs/dbraw/zinc/15/38/07/371153807.db2.gz JIOAGWSHSXCELT-XYPHTWIQSA-N 0 3 293.382 2.486 10 0 CEAEHN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000248616315 371223904 /nfs/dbraw/zinc/22/39/04/371223904.db2.gz AKZPBJKNMXSXKB-KFWWJZLASA-N 0 3 282.428 2.134 10 0 CEAEHN CCCCOC[C@H](O)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000248656799 371232102 /nfs/dbraw/zinc/23/21/02/371232102.db2.gz RWHLPZNNYRCAHK-ZACQAIPSSA-N 0 3 293.407 2.284 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)N[C@H]1CCCc2ccccc21 ZINC000249946197 371371794 /nfs/dbraw/zinc/37/17/94/371371794.db2.gz YVJJOSMNCHTZEB-ZBFHGGJFSA-N 0 3 287.407 2.457 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)N1CCCCCC1 ZINC000253172572 371499705 /nfs/dbraw/zinc/49/97/05/371499705.db2.gz KFHHINFVFZAGRY-KBPBESRZSA-N 0 3 265.401 2.151 10 0 CEAEHN CC(C)CC1(CNC(=O)[C@H](N)C2CCOCC2)CCC1 ZINC000261742596 371715098 /nfs/dbraw/zinc/71/50/98/371715098.db2.gz DKFJKNFCVUCZKV-CQSZACIVSA-N 0 3 282.428 2.073 10 0 CEAEHN Nc1ncc(CN2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000261894745 371765331 /nfs/dbraw/zinc/76/53/31/371765331.db2.gz UQYQSEZKUALMBP-NSHDSACASA-N 0 3 289.408 2.054 10 0 CEAEHN COC(=O)[C@H]1CCCCCC[C@H]1NCc1cnc(N)s1 ZINC000262060552 371815040 /nfs/dbraw/zinc/81/50/40/371815040.db2.gz RCKWYTNMTWCLMP-NWDGAFQWSA-N 0 3 297.424 2.327 10 0 CEAEHN COC(=O)[C@H]1CCCCCC[C@@H]1NCc1cnc(N)s1 ZINC000262060554 371815282 /nfs/dbraw/zinc/81/52/82/371815282.db2.gz RCKWYTNMTWCLMP-RYUDHWBXSA-N 0 3 297.424 2.327 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(C)cc2C)CCCN1 ZINC000643614877 373221410 /nfs/dbraw/zinc/22/14/10/373221410.db2.gz OJUQLNKGSNRQQT-OAHLLOKOSA-N 0 3 262.353 2.011 10 0 CEAEHN C[C@H](NC(=O)[C@@H]1NCC1(C)C)c1ccc(F)cc1F ZINC000644016051 373341359 /nfs/dbraw/zinc/34/13/59/373341359.db2.gz CCZZYGUQZKDUQN-UFBFGSQYSA-N 0 3 268.307 2.140 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H]1CCC=CO1 ZINC000369330510 373388252 /nfs/dbraw/zinc/38/82/52/373388252.db2.gz MBQBVGCJOPCVNC-KFWWJZLASA-N 0 3 250.386 2.238 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000644089458 373400294 /nfs/dbraw/zinc/40/02/94/373400294.db2.gz YFOJDPVNMWIFGU-SMDDNHRTSA-N 0 3 276.380 2.179 10 0 CEAEHN C[C@@H](CCC(C)(C)C)NC(=O)C(C)(C)N1CCNCC1 ZINC000386208745 375254768 /nfs/dbraw/zinc/25/47/68/375254768.db2.gz GPVZGBSXURBVRU-ZDUSSCGKSA-N 0 3 283.460 2.001 10 0 CEAEHN CC[C@H](CO)N1CCN(c2ccnc3c(C)cccc23)CC1 ZINC000301661308 379295102 /nfs/dbraw/zinc/29/51/02/379295102.db2.gz JNNWKHOZJMUFDB-OAHLLOKOSA-N 0 3 299.418 2.436 10 0 CEAEHN CCc1nnc(N2CCN(CCC(C)C)CC2)nc1CC ZINC000302744559 379442924 /nfs/dbraw/zinc/44/29/24/379442924.db2.gz RROTUBBPQXMWNT-UHFFFAOYSA-N 0 3 291.443 2.165 10 0 CEAEHN CCc1ccc(NC(=O)CN[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183139177 542287390 /nfs/dbraw/zinc/28/73/90/542287390.db2.gz CALSIOUJIGCCDI-WFASDCNBSA-N 0 3 276.380 2.345 10 0 CEAEHN c1cn(C[C@H]2CCCN2Cc2ccc3c[nH]nc3c2)cn1 ZINC000188398515 542321167 /nfs/dbraw/zinc/32/11/67/542321167.db2.gz RXVLMBGZMNLDFS-OAHLLOKOSA-N 0 3 281.363 2.424 10 0 CEAEHN CC(C)NCc1csc(S(=O)(=O)N2CCCC2)c1 ZINC000088905190 184613980 /nfs/dbraw/zinc/61/39/80/184613980.db2.gz RPSUWJBBDVYLKN-UHFFFAOYSA-N 0 3 288.438 2.031 10 0 CEAEHN CCCCc1nc(C)c(CNCCOC)c(C)n1 ZINC000093080200 184647050 /nfs/dbraw/zinc/64/70/50/184647050.db2.gz MJTGMLIBEVFFAU-UHFFFAOYSA-N 0 3 251.374 2.172 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N(C(C)C)C(C)C ZINC000175337518 285273505 /nfs/dbraw/zinc/27/35/05/285273505.db2.gz CLGFLZPEFYWAED-HNNXBMFYSA-N 0 3 283.460 2.048 10 0 CEAEHN CCN1CCC[C@H]1CN(C)c1ncnc(Cl)c1NC ZINC000125029504 285275747 /nfs/dbraw/zinc/27/57/47/285275747.db2.gz LWMYZTRWCMCBDW-JTQLQIEISA-N 0 3 283.807 2.092 10 0 CEAEHN CN[C@@H]1CCCC[C@H]1S(=O)(=O)c1cccs1 ZINC000081926663 177899640 /nfs/dbraw/zinc/89/96/40/177899640.db2.gz QWRLUYLYNBYNIM-NXEZZACHSA-N 0 3 259.396 2.052 10 0 CEAEHN CCN[C@@H](CC)[C@@H](C)S(=O)(=O)c1cccc(OC)c1 ZINC000081923511 177897453 /nfs/dbraw/zinc/89/74/53/177897453.db2.gz NMPCBJIANFMDAF-RISCZKNCSA-N 0 3 285.409 2.246 10 0 CEAEHN CN[C@H](CS(=O)(=O)c1ccc(C)cc1)C(C)(C)C ZINC000081920768 177894500 /nfs/dbraw/zinc/89/45/00/177894500.db2.gz JLBGDNIJYSMQCC-CYBMUJFWSA-N 0 3 269.410 2.403 10 0 CEAEHN CN[C@H](CSc1nnc(C)n1C)c1ccccc1C ZINC000081886083 177877260 /nfs/dbraw/zinc/87/72/60/177877260.db2.gz AFVGFDDALWPUQZ-CYBMUJFWSA-N 0 3 276.409 2.485 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCCC[C@@H]2C)C1 ZINC000194173641 270293149 /nfs/dbraw/zinc/29/31/49/270293149.db2.gz BCPYWOPESYIXPN-STQMWFEESA-N 0 3 253.390 2.055 10 0 CEAEHN C[C@H]1CN(C)C[C@]1(O)c1ccc(Br)cc1 ZINC000521401982 256845427 /nfs/dbraw/zinc/84/54/27/256845427.db2.gz UPXSLLBSSCNPTI-JOYOIKCWSA-N 0 3 270.170 2.218 10 0 CEAEHN C[C@@H]1CCC[C@](N)(C(=O)NCCc2ccc(F)cc2)C1 ZINC000080903815 177725688 /nfs/dbraw/zinc/72/56/88/177725688.db2.gz ISDFNGYEPJVMQS-MLGOLLRUSA-N 0 3 278.371 2.392 10 0 CEAEHN CC(C)(C)c1cccc(O[C@@H]2CC[C@@](N)(C(N)=O)C2)c1 ZINC000093846743 184732147 /nfs/dbraw/zinc/73/21/47/184732147.db2.gz GWKMHKBNEHJMAZ-CJNGLKHVSA-N 0 3 276.380 2.098 10 0 CEAEHN CN[C@]1(C(N)=O)CC[C@H](Sc2ccc(F)c(F)c2)C1 ZINC000093848845 184732514 /nfs/dbraw/zinc/73/25/14/184732514.db2.gz OTUBDLBQSXHFKT-TVQRCGJNSA-N 0 3 286.347 2.053 10 0 CEAEHN Nc1ccc(N[C@@H]2CCc3ccccc3C2)nc1N ZINC000094260368 184771222 /nfs/dbraw/zinc/77/12/22/184771222.db2.gz HFPYXZGEVOJVCD-GFCCVEGCSA-N 0 3 254.337 2.215 10 0 CEAEHN CCN[C@H](C)c1cc(F)ccc1O[C@H](CC)C(N)=O ZINC000094618870 184828086 /nfs/dbraw/zinc/82/80/86/184828086.db2.gz GURKRYJDCMXNEJ-BXKDBHETSA-N 0 3 268.332 2.139 10 0 CEAEHN COCCNCc1snnc1-c1ccc(C)c(F)c1 ZINC000094841980 184878732 /nfs/dbraw/zinc/87/87/32/184878732.db2.gz NBTDIBDWZAEYFW-UHFFFAOYSA-N 0 3 281.356 2.389 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1ccc(F)c(F)c1)N(C)C ZINC000191675407 130275527 /nfs/dbraw/zinc/27/55/27/130275527.db2.gz NLVUWSZMKBQXAS-AWEZNQCLSA-N 0 3 284.350 2.354 10 0 CEAEHN CC(C)c1cnc(NC(=O)N2CC[C@@H](N(C)C)C2)s1 ZINC000192392988 130438582 /nfs/dbraw/zinc/43/85/82/130438582.db2.gz AITQTMKBCONMAZ-SNVBAGLBSA-N 0 3 282.413 2.434 10 0 CEAEHN CC[C@H](CNCc1cnn(C)c1C)NC(=O)OC(C)(C)C ZINC000227713746 130851945 /nfs/dbraw/zinc/85/19/45/130851945.db2.gz BTIFUJSWGAMLDN-CYBMUJFWSA-N 0 3 296.415 2.121 10 0 CEAEHN COc1ccccc1N1CC[C@@H](NCCC(C)C)C1=O ZINC000237291182 131021587 /nfs/dbraw/zinc/02/15/87/131021587.db2.gz VWYGIDKKEHYYBG-CYBMUJFWSA-N 0 3 276.380 2.436 10 0 CEAEHN Cc1cc(F)ccc1N1CCC[C@H](NC2CC2)C1=O ZINC000071032817 134954700 /nfs/dbraw/zinc/95/47/00/134954700.db2.gz FIZOOWVELPUJCC-ZDUSSCGKSA-N 0 3 262.328 2.382 10 0 CEAEHN CC[C@@H]1CNCCN1c1ccc(C(F)(F)F)cn1 ZINC000083431693 135021072 /nfs/dbraw/zinc/02/10/72/135021072.db2.gz HDDZITNYCLKKKQ-SNVBAGLBSA-N 0 3 259.275 2.289 10 0 CEAEHN C[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccco1 ZINC000089733167 135060448 /nfs/dbraw/zinc/06/04/48/135060448.db2.gz KYSIUIVHHLVCOI-STQMWFEESA-N 0 3 272.352 2.389 10 0 CEAEHN O=C(C[C@H]1CSCCN1)N1CCSc2ccccc21 ZINC000091138370 135067211 /nfs/dbraw/zinc/06/72/11/135067211.db2.gz SVBGSDBWHMMEIR-NSHDSACASA-N 0 3 294.445 2.220 10 0 CEAEHN CC(C)NCc1cncc(N2C[C@H](C)S[C@@H](C)C2)n1 ZINC000091421866 135069871 /nfs/dbraw/zinc/06/98/71/135069871.db2.gz ULMLAGRMAABGRC-RYUDHWBXSA-N 0 3 280.441 2.305 10 0 CEAEHN Cc1cccc(N2CCN([C@H]3CC[C@@H](O)C3)CC2)c1C ZINC000093798452 135082810 /nfs/dbraw/zinc/08/28/10/135082810.db2.gz FANYMYKBKNANFU-JKSUJKDBSA-N 0 3 274.408 2.339 10 0 CEAEHN Cc1cc(N2CCO[C@H](C(N)=S)C2)c2ccccc2n1 ZINC000093934981 135082814 /nfs/dbraw/zinc/08/28/14/135082814.db2.gz IOGYWCCSDVXQAJ-AWEZNQCLSA-N 0 3 287.388 2.035 10 0 CEAEHN CC[C@@](C)(N)C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000094231625 135084257 /nfs/dbraw/zinc/08/42/57/135084257.db2.gz OOFCXSKHBDIZNW-OAHLLOKOSA-N 0 3 295.814 2.116 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1c1ccnc(Cl)n1 ZINC000094442793 135088920 /nfs/dbraw/zinc/08/89/20/135088920.db2.gz XVYKVVRYRUFHRQ-WDEREUQCSA-N 0 3 266.776 2.193 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000306781121 394518108 /nfs/dbraw/zinc/51/81/08/394518108.db2.gz BRFQDCKPXLUITL-CQSZACIVSA-N 0 3 262.353 2.349 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CC[C@H](C)[C@H]2C)C1 ZINC000246729034 394520791 /nfs/dbraw/zinc/52/07/91/394520791.db2.gz ALQGFDPVYOBAIL-DGAVXFQQSA-N 0 3 267.417 2.155 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC(C(F)F)CC1 ZINC000307855396 394523887 /nfs/dbraw/zinc/52/38/87/394523887.db2.gz MFJGCSJXPVJCBY-GFCCVEGCSA-N 0 3 265.344 2.141 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccccc2F)C1 ZINC000048769317 394528567 /nfs/dbraw/zinc/52/85/67/394528567.db2.gz HWXWXOAEWMBNIQ-NSHDSACASA-N 0 3 265.332 2.432 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000247542716 394532275 /nfs/dbraw/zinc/53/22/75/394532275.db2.gz YODLIUZDKMOSCJ-BARDWOONSA-N 0 3 279.428 2.301 10 0 CEAEHN CNC(=O)c1ccc([C@@H]2CCCCN2CC2CC2)n1C ZINC000328654720 394554171 /nfs/dbraw/zinc/55/41/71/394554171.db2.gz XSOBLGOAVJVHBB-AWEZNQCLSA-N 0 3 275.396 2.322 10 0 CEAEHN Cc1cc(NC[C@H]2NCCc3ccccc32)ncn1 ZINC000261635276 394605036 /nfs/dbraw/zinc/60/50/36/394605036.db2.gz WKJYHPMRDCSKSE-CQSZACIVSA-N 0 3 254.337 2.084 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000117786607 394759366 /nfs/dbraw/zinc/75/93/66/394759366.db2.gz CTALCTGTNVFFTB-UONOGXRCSA-N 0 3 288.391 2.105 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2ccsc2C1 ZINC000335439361 394766163 /nfs/dbraw/zinc/76/61/63/394766163.db2.gz MABKFYDWNZBJCN-JOYOIKCWSA-N 0 3 252.383 2.006 10 0 CEAEHN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000184680152 395273935 /nfs/dbraw/zinc/27/39/35/395273935.db2.gz RZMILKVNZZNSFE-MGPQQGTHSA-N 0 3 267.417 2.301 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCC(C)(C)CC)C1 ZINC000192344640 395381096 /nfs/dbraw/zinc/38/10/96/395381096.db2.gz CKJYJLOYQSALRW-GFCCVEGCSA-N 0 3 255.406 2.206 10 0 CEAEHN C[C@H](c1ccccc1F)N1CCO[C@H](CN(C)C)C1 ZINC000105924568 299656864 /nfs/dbraw/zinc/65/68/64/299656864.db2.gz BRBPWRZUHQZYBD-CHWSQXEVSA-N 0 3 266.360 2.149 10 0 CEAEHN C[C@@H]1[C@H](Nc2nn(C)cc2N)CCN1Cc1ccccc1 ZINC000307727984 400340209 /nfs/dbraw/zinc/34/02/09/400340209.db2.gz FOSLSZCGZQFPKU-IUODEOHRSA-N 0 3 285.395 2.077 10 0 CEAEHN C[C@@H]1CN[C@@H](C)CN1c1ncccc1Br ZINC000083118984 297114339 /nfs/dbraw/zinc/11/43/39/297114339.db2.gz HQIRJQLWOLYLIC-DTWKUNHWSA-N 0 3 270.174 2.031 10 0 CEAEHN Cn1cc([C@@H]2CCCN2C[C@H](O)CC2CCCC2)cn1 ZINC000191333634 153168756 /nfs/dbraw/zinc/16/87/56/153168756.db2.gz XYMBLBRQXKLRJY-CVEARBPZSA-N 0 3 277.412 2.498 10 0 CEAEHN CCCc1nc(C)c(C(=O)N2CCN3CCC[C@@H]3C2)s1 ZINC000195332135 153288202 /nfs/dbraw/zinc/28/82/02/153288202.db2.gz RODCAKQBIBKSGP-GFCCVEGCSA-N 0 3 293.436 2.324 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1nncn1C ZINC000221844797 153309965 /nfs/dbraw/zinc/30/99/65/153309965.db2.gz BXBHJQCSDNEDHU-AGIUHOORSA-N 0 3 250.390 2.366 10 0 CEAEHN CCCn1ccc(CNCC[C@@H](C)[S@](C)=O)c1 ZINC000229790528 153376619 /nfs/dbraw/zinc/37/66/19/153376619.db2.gz IWXBJAFETFIGGP-PXAZEXFGSA-N 0 3 256.415 2.145 10 0 CEAEHN C[C@@H]1CCC[C@@H](Cc2nc([C@@H]3CNCCN3C)no2)C1 ZINC000263129527 154021239 /nfs/dbraw/zinc/02/12/39/154021239.db2.gz BOEBQLYTDXRITE-UPJWGTAASA-N 0 3 278.400 2.015 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2ccc3c(c2)CCCC3)n1 ZINC000263281912 154048548 /nfs/dbraw/zinc/04/85/48/154048548.db2.gz ULEXHDTWFCNMRY-OAHLLOKOSA-N 0 3 298.390 2.192 10 0 CEAEHN CCN1CCC[C@H]1CN(C)c1nc(C(=O)OC)c(C)s1 ZINC000164688731 162338868 /nfs/dbraw/zinc/33/88/68/162338868.db2.gz CSIPNYWIYREUFD-NSHDSACASA-N 0 3 297.424 2.159 10 0 CEAEHN CCC(O)(CC)CN1CCN(c2ccccc2)CC1 ZINC000165198499 162339788 /nfs/dbraw/zinc/33/97/88/162339788.db2.gz PVQYUUQBWRYSIK-UHFFFAOYSA-N 0 3 262.397 2.360 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784284 522655152 /nfs/dbraw/zinc/65/51/52/522655152.db2.gz NLQKNQMFJFFHKH-NXEZZACHSA-N 0 3 269.213 2.452 10 0 CEAEHN CCC[C@H](CC)NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171905153 165054223 /nfs/dbraw/zinc/05/42/23/165054223.db2.gz LLDIMHLLKADWRT-QWHCGFSZSA-N 0 3 253.390 2.055 10 0 CEAEHN CCCCCC[C@H](C)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173792205 165084612 /nfs/dbraw/zinc/08/46/12/165084612.db2.gz FYDMZJAJRBHZFW-LSDHHAIUSA-N 0 3 284.444 2.382 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)COCc1ccccc1 ZINC000176997717 165182820 /nfs/dbraw/zinc/18/28/20/165182820.db2.gz NYCAPCOBAZHUQX-MRXNPFEDSA-N 0 3 290.407 2.146 10 0 CEAEHN CCC1(CNC(=O)N2CCN3CCC[C@H]3C2)CCCC1 ZINC000177638321 165204224 /nfs/dbraw/zinc/20/42/24/165204224.db2.gz PLRUKKDKWDBKHL-AWEZNQCLSA-N 0 3 279.428 2.446 10 0 CEAEHN C[C@@H](CCc1ccccc1)N1CCO[C@H](CN(C)C)C1 ZINC000178617911 165253694 /nfs/dbraw/zinc/25/36/94/165253694.db2.gz PGDRWCBHZZOBRZ-DOTOQJQBSA-N 0 3 276.424 2.270 10 0 CEAEHN O[C@@H](CN1CCSCC1)c1c[nH]c2ccccc21 ZINC000005254778 170080196 /nfs/dbraw/zinc/08/01/96/170080196.db2.gz RIVOZKGUYRVVMB-AWEZNQCLSA-N 0 3 262.378 2.250 10 0 CEAEHN Cc1cc(N)nc(C)c1Cn1nnc2ccccc21 ZINC000005379435 170091574 /nfs/dbraw/zinc/09/15/74/170091574.db2.gz GOJRRKOOKFUCOZ-UHFFFAOYSA-N 0 3 253.309 2.074 10 0 CEAEHN C[C@H](NCc1cnc(C(C)(C)C)nc1)[C@@H]1CCCO1 ZINC000284299057 196024782 /nfs/dbraw/zinc/02/47/82/196024782.db2.gz IQCOQXOFSAXZDS-AAEUAGOBSA-N 0 3 263.385 2.431 10 0 CEAEHN CSc1ccc([C@@H](C)NCCNC(C)=O)cc1 ZINC000020185014 171048062 /nfs/dbraw/zinc/04/80/62/171048062.db2.gz ZFVRZDWPTMAHGB-SNVBAGLBSA-N 0 3 252.383 2.195 10 0 CEAEHN COc1ccc(CN(C)[C@@H](CN)c2ccco2)cc1 ZINC000020225262 171087205 /nfs/dbraw/zinc/08/72/05/171087205.db2.gz WKSOVBUFTTUUCA-AWEZNQCLSA-N 0 3 260.337 2.420 10 0 CEAEHN Nc1ccc(NC(=O)CCN2CCSCC2)c(Cl)c1 ZINC000020256873 171110776 /nfs/dbraw/zinc/11/07/76/171110776.db2.gz LEILIBSNAKAXJY-UHFFFAOYSA-N 0 3 299.827 2.300 10 0 CEAEHN NC[C@H](c1c(F)cccc1F)N1CCSCC1 ZINC000020257018 171111400 /nfs/dbraw/zinc/11/14/00/171111400.db2.gz OACJEDYSRKZQGH-LLVKDONJSA-N 0 3 258.337 2.013 10 0 CEAEHN N[C@H](CN1CCOC1=O)c1cccc2ccccc21 ZINC000020262238 171119957 /nfs/dbraw/zinc/11/99/57/171119957.db2.gz LVUXZNAJBYPOHL-CQSZACIVSA-N 0 3 256.305 2.292 10 0 CEAEHN CC(C)CNC(=O)[C@H](C)Oc1ccccc1[C@@H](C)N ZINC000020419495 171184560 /nfs/dbraw/zinc/18/45/60/171184560.db2.gz LLSKFRVYXHQLOK-NEPJUHHUSA-N 0 3 264.369 2.246 10 0 CEAEHN COC(=O)C[C@H](N)c1ccc2cc(OC)ccc2c1 ZINC000020577582 171256316 /nfs/dbraw/zinc/25/63/16/171256316.db2.gz BVHYAJDCFDZKTA-AWEZNQCLSA-N 0 3 259.305 2.411 10 0 CEAEHN NCc1ccccc1OCC(=O)Nc1cccc(F)c1 ZINC000022164054 171365094 /nfs/dbraw/zinc/36/50/94/171365094.db2.gz MPHUGNMPFQIJDL-UHFFFAOYSA-N 0 3 274.295 2.302 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000022168384 171366998 /nfs/dbraw/zinc/36/69/98/171366998.db2.gz CFVQXHGAFNUKCZ-RBZYPMLTSA-N 0 3 270.323 2.074 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cccc(Cl)c2)CCO1 ZINC000022218643 171376895 /nfs/dbraw/zinc/37/68/95/171376895.db2.gz VWZSQHHQNAMTMK-GWCFXTLKSA-N 0 3 254.761 2.061 10 0 CEAEHN CC(C)Oc1ccc([C@H](N)CN2CCO[C@@H](C)C2)cc1 ZINC000022565103 171391546 /nfs/dbraw/zinc/39/15/46/171391546.db2.gz MJRJAMCBJJOHNL-XJKSGUPXSA-N 0 3 278.396 2.194 10 0 CEAEHN COc1ccc([C@H](N)CN(C)C(C)C)c(OC)c1 ZINC000022564992 171391553 /nfs/dbraw/zinc/39/15/53/171391553.db2.gz JYWBQINQNMATBU-CYBMUJFWSA-N 0 3 252.358 2.044 10 0 CEAEHN CCNC(=O)[C@H](C)N(Cc1cccc(N)c1)C(C)C ZINC000035365631 172156233 /nfs/dbraw/zinc/15/62/33/172156233.db2.gz YBXKJWLLRIBXAT-LBPRGKRZSA-N 0 3 263.385 2.004 10 0 CEAEHN CC1CCN(c2nc3sccn3c2CN)CC1 ZINC000035429551 172197114 /nfs/dbraw/zinc/19/71/14/172197114.db2.gz UZQDCIUHSUKMTA-UHFFFAOYSA-N 0 3 250.371 2.091 10 0 CEAEHN CN[C@@H](c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000035469691 172221175 /nfs/dbraw/zinc/22/11/75/172221175.db2.gz BYISOLCGVGUUFR-OAHLLOKOSA-N 0 3 256.305 2.162 10 0 CEAEHN Cn1ccnc1SCCc1nc2ccc(N)cc2[nH]1 ZINC000035659184 172335528 /nfs/dbraw/zinc/33/55/28/172335528.db2.gz UGIAURXRIISSAU-UHFFFAOYSA-N 0 3 273.365 2.213 10 0 CEAEHN CN(Cc1ccco1)C[C@H]1Cc2ccccc2CN1 ZINC000035702311 172370305 /nfs/dbraw/zinc/37/03/05/172370305.db2.gz KLDVKEQXEIOJRA-OAHLLOKOSA-N 0 3 256.349 2.426 10 0 CEAEHN C[C@H]1CS(=O)(=O)c2ccc(C(C)(C)C)cc2[C@H]1N ZINC000035755771 172396329 /nfs/dbraw/zinc/39/63/29/172396329.db2.gz SMXCFSTYSGJFKG-ZANVPECISA-N 0 3 267.394 2.407 10 0 CEAEHN COc1nc2sccn2c1CN[C@H](C)[C@H]1CCCO1 ZINC000037242483 173059132 /nfs/dbraw/zinc/05/91/32/173059132.db2.gz SJZABVOFENODPP-MWLCHTKSSA-N 0 3 281.381 2.062 10 0 CEAEHN C[C@@H](N[C@H]1CCS(=O)(=O)c2ccccc21)C1CC1 ZINC000037259312 173069030 /nfs/dbraw/zinc/06/90/30/173069030.db2.gz RCJKLZDUYUEINR-MFKMUULPSA-N 0 3 265.378 2.293 10 0 CEAEHN C[C@@H](N[C@@H]1CCS(=O)(=O)c2ccccc21)C1CC1 ZINC000037259308 173069574 /nfs/dbraw/zinc/06/95/74/173069574.db2.gz RCJKLZDUYUEINR-ZWNOBZJWSA-N 0 3 265.378 2.293 10 0 CEAEHN CCOCCNCc1c(C)nc2scc(C)n12 ZINC000037269076 173081163 /nfs/dbraw/zinc/08/11/63/173081163.db2.gz NPWORJVGPUQWGU-UHFFFAOYSA-N 0 3 253.371 2.139 10 0 CEAEHN CC(C)(C)n1cc(CN[C@@H]2CCC[C@@H](O)C2)cn1 ZINC000037321422 173122065 /nfs/dbraw/zinc/12/20/65/173122065.db2.gz RBEANCZWTVALDY-CHWSQXEVSA-N 0 3 251.374 2.031 10 0 CEAEHN CCCNC(=O)c1ccccc1NC(=O)CN[C@@H](C)CC ZINC000037394607 173174968 /nfs/dbraw/zinc/17/49/68/173174968.db2.gz AWNALZCFTDFBNJ-LBPRGKRZSA-N 0 3 291.395 2.153 10 0 CEAEHN CC(C)NCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037395996 173175825 /nfs/dbraw/zinc/17/58/25/173175825.db2.gz XONUZOSLPDHINH-VHSXEESVSA-N 0 3 266.307 2.222 10 0 CEAEHN CC(C)NCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037395997 173176167 /nfs/dbraw/zinc/17/61/67/173176167.db2.gz XONUZOSLPDHINH-UWVGGRQHSA-N 0 3 266.307 2.222 10 0 CEAEHN COC(=O)CCCNCc1cc2c(c(Cl)c1)OCO2 ZINC000037396021 173176997 /nfs/dbraw/zinc/17/69/97/173176997.db2.gz SMSFOWYHCCAYKC-UHFFFAOYSA-N 0 3 285.727 2.112 10 0 CEAEHN CC(C)[C@@H](NCCS(C)(=O)=O)c1cccs1 ZINC000037490507 173231433 /nfs/dbraw/zinc/23/14/33/173231433.db2.gz LFQNYNSOBDJRHN-LLVKDONJSA-N 0 3 261.412 2.079 10 0 CEAEHN CC(C)NCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000037495148 173234877 /nfs/dbraw/zinc/23/48/77/173234877.db2.gz SAANKWXZSLAAKA-UHFFFAOYSA-N 0 3 258.365 2.300 10 0 CEAEHN Cc1nc([C@H](C)N[C@@H]2CN3CCC2CC3)cs1 ZINC000037507685 173242087 /nfs/dbraw/zinc/24/20/87/173242087.db2.gz IKHHLQXXPFMAEZ-JOYOIKCWSA-N 0 3 251.399 2.196 10 0 CEAEHN C[C@@H](NC1CCN(C(N)=O)CC1)c1ccccc1F ZINC000037764451 173691126 /nfs/dbraw/zinc/69/11/26/173691126.db2.gz GVRWLCZGGWIJNP-SNVBAGLBSA-N 0 3 265.332 2.019 10 0 CEAEHN CC(C)CN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000037946193 173887150 /nfs/dbraw/zinc/88/71/50/173887150.db2.gz PMTMITZTQXHNEX-NSHDSACASA-N 0 3 285.185 2.221 10 0 CEAEHN CC[C@H](C)N[C@](CC)(C(N)=O)c1ccc(OC)cc1 ZINC000038065581 174077115 /nfs/dbraw/zinc/07/71/15/174077115.db2.gz POAVCPZZLSHWIU-NHYWBVRUSA-N 0 3 264.369 2.174 10 0 CEAEHN C[C@H](Cc1ccco1)N[C@@H](C)C(=O)N1CCCCC1 ZINC000038092872 174107056 /nfs/dbraw/zinc/10/70/56/174107056.db2.gz YAXXWDBAQNSJTL-OLZOCXBDSA-N 0 3 264.369 2.201 10 0 CEAEHN C[C@@H](N)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000040430988 174259882 /nfs/dbraw/zinc/25/98/82/174259882.db2.gz LETDUZPVTRDMET-GFCCVEGCSA-N 0 3 261.369 2.353 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000040464398 174273842 /nfs/dbraw/zinc/27/38/42/174273842.db2.gz QCWIRXCIQSBFDW-SUHUHFCYSA-N 0 3 263.385 2.073 10 0 CEAEHN CCCNC(=O)[C@H](C)N[C@H](C)COc1ccc(C)cc1 ZINC000040499813 174296606 /nfs/dbraw/zinc/29/66/06/174296606.db2.gz MZZIWIFEAUVALO-KGLIPLIRSA-N 0 3 278.396 2.267 10 0 CEAEHN CCN1CCC[C@H](NCc2ccc(OC)cc2OC)C1 ZINC000040502014 174297857 /nfs/dbraw/zinc/29/78/57/174297857.db2.gz PNFQQTSYVMUYHB-AWEZNQCLSA-N 0 3 278.396 2.278 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2N)C1 ZINC000040501640 174298256 /nfs/dbraw/zinc/29/82/56/174298256.db2.gz ZAOUFULJCPMXME-LLVKDONJSA-N 0 3 281.787 2.136 10 0 CEAEHN CCOC(=O)CCN[C@H](C)c1sc(C)nc1C ZINC000040518773 174308434 /nfs/dbraw/zinc/30/84/34/174308434.db2.gz GWKIIPVUBMGPFA-MRVPVSSYSA-N 0 3 256.371 2.364 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)[C@@H](N)C(C)(C)C)s1 ZINC000040519003 174308586 /nfs/dbraw/zinc/30/85/86/174308586.db2.gz SBCDHUPECFROME-GZMMTYOYSA-N 0 3 269.414 2.311 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000040629917 174357736 /nfs/dbraw/zinc/35/77/36/174357736.db2.gz REHNFGQFZDRAJX-MNOVXSKESA-N 0 3 288.269 2.021 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)C1 ZINC000040637652 174361736 /nfs/dbraw/zinc/36/17/36/174361736.db2.gz RHFGIMIKHWIFOE-NWDGAFQWSA-N 0 3 261.300 2.265 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3cc(F)ccc3F)c[nH]2)C1 ZINC000040637690 174361739 /nfs/dbraw/zinc/36/17/39/174361739.db2.gz OPOYRNCUJVZWEG-CABZTGNLSA-N 0 3 279.290 2.404 10 0 CEAEHN Cn1ccnc1CCNCc1cc2ccccc2[nH]c1=O ZINC000040638968 174362899 /nfs/dbraw/zinc/36/28/99/174362899.db2.gz OJOLZNAJBGVECP-UHFFFAOYSA-N 0 3 282.347 2.006 10 0 CEAEHN Cn1ccc(N[C@H]2CCN(CCc3ccccc3)C2)n1 ZINC000040671469 174369967 /nfs/dbraw/zinc/36/99/67/174369967.db2.gz HUPHRDDSGZQLQP-HNNXBMFYSA-N 0 3 270.380 2.149 10 0 CEAEHN CCN(CC)C(=O)c1cc(N[C@H]2CCCN(C)C2)ccn1 ZINC000040673460 174372394 /nfs/dbraw/zinc/37/23/94/174372394.db2.gz BVQTVGISSFZRJM-AWEZNQCLSA-N 0 3 290.411 2.070 10 0 CEAEHN CC(C)(NC1CC(c2ccccc2Cl)C1)C(N)=O ZINC000040674527 174372737 /nfs/dbraw/zinc/37/27/37/174372737.db2.gz JWHDISIJXHXSJR-UHFFFAOYSA-N 0 3 266.772 2.440 10 0 CEAEHN CCNCc1c(N2CC[C@@H](C)C2)nc2ccccn21 ZINC000040723742 174386045 /nfs/dbraw/zinc/38/60/45/174386045.db2.gz TXBWXGAVSNAYHE-GFCCVEGCSA-N 0 3 258.369 2.290 10 0 CEAEHN Cc1cc(C)c([C@H](N)CN2C(=O)C[C@H](C)C2=O)c(C)c1 ZINC000040739888 174390538 /nfs/dbraw/zinc/39/05/38/174390538.db2.gz IRFRLQHCYBEWTL-QWHCGFSZSA-N 0 3 274.364 2.007 10 0 CEAEHN COc1ccc2c(c1)[C@@H](NC1CC1)CCC[S@]2=O ZINC000040975799 174444114 /nfs/dbraw/zinc/44/41/14/174444114.db2.gz GVNXKHBTUIQRQA-UGSOOPFHSA-N 0 3 265.378 2.390 10 0 CEAEHN CCN(Cc1ccc(C)cc1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000662863168 414779863 /nfs/dbraw/zinc/77/98/63/414779863.db2.gz ZNNIOVAPJLQKQL-UONOGXRCSA-N 0 3 264.344 2.044 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@H](OC(C)C)C1 ZINC000404519639 414785924 /nfs/dbraw/zinc/78/59/24/414785924.db2.gz HQXAYMRJCPRSQH-GJZGRUSLSA-N 0 3 273.417 2.053 10 0 CEAEHN CCN[C@@H](c1nc2c(s1)CCC2)[C@@H]1CCOC1 ZINC000041191851 174508358 /nfs/dbraw/zinc/50/83/58/174508358.db2.gz OVJRGMOHJRYLCU-BXKDBHETSA-N 0 3 252.383 2.319 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000126432545 414800304 /nfs/dbraw/zinc/80/03/04/414800304.db2.gz MSZBBMMGRVJINQ-KKUMJFAQSA-N 0 3 290.407 2.329 10 0 CEAEHN CN(C(=O)c1ccc(F)cc1Cl)[C@H](CN)C(F)(F)F ZINC000662976223 414815644 /nfs/dbraw/zinc/81/56/44/414815644.db2.gz MGLUQVIFCRKHAA-SECBINFHSA-N 0 3 298.667 2.441 10 0 CEAEHN Cc1ccc(CC(=O)N(C)[C@@H](CN)C(F)(F)F)cc1C ZINC000662976370 414816483 /nfs/dbraw/zinc/81/64/83/414816483.db2.gz OQJHMWBXYXFJJO-LBPRGKRZSA-N 0 3 288.313 2.194 10 0 CEAEHN Cc1cscc1C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662981798 414817443 /nfs/dbraw/zinc/81/74/43/414817443.db2.gz QZSNHJRXBQOONP-MRVPVSSYSA-N 0 3 266.288 2.018 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1[C@@H](CN)c1cccs1 ZINC000042308362 174680772 /nfs/dbraw/zinc/68/07/72/174680772.db2.gz WUGFYUZPBYJPGP-SRVKXCTJSA-N 0 3 254.399 2.247 10 0 CEAEHN CNCc1cc2c(cc1OCCc1ccncc1)OCO2 ZINC000042874323 174899031 /nfs/dbraw/zinc/89/90/31/174899031.db2.gz HTYCYZDOLPYVEW-UHFFFAOYSA-N 0 3 286.331 2.151 10 0 CEAEHN CCN[C@H](c1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000043300784 175001295 /nfs/dbraw/zinc/00/12/95/175001295.db2.gz MMEXQZYNTJQSIT-WFASDCNBSA-N 0 3 297.420 2.171 10 0 CEAEHN CCN[C@@H](c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300807 175001706 /nfs/dbraw/zinc/00/17/06/175001706.db2.gz YECNAPJXNOUTNK-AAEUAGOBSA-N 0 3 287.812 2.425 10 0 CEAEHN COc1cc(C)ccc1O[C@@H](CN)c1ccccn1 ZINC000043342518 175015899 /nfs/dbraw/zinc/01/58/99/175015899.db2.gz YUIMKWIDCGLJRV-HNNXBMFYSA-N 0 3 258.321 2.477 10 0 CEAEHN NC[C@@H](Oc1ccc2c(c1)CCC(=O)N2)c1cccnc1 ZINC000043349212 175019309 /nfs/dbraw/zinc/01/93/09/175019309.db2.gz PXJUPVANLIGECW-OAHLLOKOSA-N 0 3 283.331 2.045 10 0 CEAEHN Cc1ncsc1CCO[C@@H](CN)c1ccncc1 ZINC000043355729 175023034 /nfs/dbraw/zinc/02/30/34/175023034.db2.gz JVCVCPMKYPSFSE-LBPRGKRZSA-N 0 3 263.366 2.106 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000043364466 175025242 /nfs/dbraw/zinc/02/52/42/175025242.db2.gz NSZKWHSKZFZCTI-YRGRVCCFSA-N 0 3 252.358 2.087 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N1CCOC(C)(C)C1 ZINC000043364454 175025346 /nfs/dbraw/zinc/02/53/46/175025346.db2.gz KKKJKADDVDCVAP-JSGCOSHPSA-N 0 3 266.385 2.477 10 0 CEAEHN CN[C@H](c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043389108 175033156 /nfs/dbraw/zinc/03/31/56/175033156.db2.gz UBFWWMZWYDNIHD-BXKDBHETSA-N 0 3 291.775 2.174 10 0 CEAEHN COC[C@@H](C)N(C)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390558 175033913 /nfs/dbraw/zinc/03/39/13/175033913.db2.gz IBGKGKPYBQIZRH-RNCFNFMXSA-N 0 3 274.767 2.446 10 0 CEAEHN COCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2N ZINC000043460066 175051115 /nfs/dbraw/zinc/05/11/15/175051115.db2.gz VLYVWQLDVNWABM-LBPRGKRZSA-N 0 3 251.326 2.273 10 0 CEAEHN O=C1NCC[C@H]1N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000658052252 415175625 /nfs/dbraw/zinc/17/56/25/415175625.db2.gz ITJRRIIKLBPIED-ZIAGYGMSSA-N 0 3 269.348 2.023 10 0 CEAEHN CN[C@@H](CN1CCO[C@@H](C)C1)c1ccc(OC(C)C)cc1 ZINC000043812474 175111266 /nfs/dbraw/zinc/11/12/66/175111266.db2.gz RDNJWKIPKRBONH-YOEHRIQHSA-N 0 3 292.423 2.455 10 0 CEAEHN CCCN(C)C[C@H](NC)c1ccc(OC)c(OC)c1 ZINC000043885949 175116811 /nfs/dbraw/zinc/11/68/11/175116811.db2.gz SXWQCVSJRFHFFT-ZDUSSCGKSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@@H](CN1CCO[C@@H](CC)C1)c1ccccc1OC ZINC000043893043 175118616 /nfs/dbraw/zinc/11/86/16/175118616.db2.gz QKHXPGPAIDXJQT-HOCLYGCPSA-N 0 3 292.423 2.457 10 0 CEAEHN CN[C@H](CN(C)Cc1ccccn1)c1ccccc1OC ZINC000043894270 175119076 /nfs/dbraw/zinc/11/90/76/175119076.db2.gz AOCZQSSWLPTQOR-MRXNPFEDSA-N 0 3 285.391 2.483 10 0 CEAEHN CN[C@@H](CN1CCOC(C)(C)C1)c1cccc(OC)c1 ZINC000043897657 175120328 /nfs/dbraw/zinc/12/03/28/175120328.db2.gz RUVYWBWOJBGIOW-HNNXBMFYSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOc1ccccc1[C@@H](CN1CCOC(C)(C)C1)NC ZINC000043897707 175120360 /nfs/dbraw/zinc/12/03/60/175120360.db2.gz GFEWMAKRERCLAY-OAHLLOKOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N(C)C1CCOCC1 ZINC000043898473 175121384 /nfs/dbraw/zinc/12/13/84/175121384.db2.gz AHKAWXLESDMPEV-RDJZCZTQSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@H](CN(C)CC(F)(F)F)c1ccccc1OC ZINC000043900527 175121860 /nfs/dbraw/zinc/12/18/60/175121860.db2.gz SJVZYWZOGKOFLK-LLVKDONJSA-N 0 3 276.302 2.450 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N(C)CC1CC1 ZINC000043906178 175122696 /nfs/dbraw/zinc/12/26/96/175122696.db2.gz ZBIOHOGMNYDLND-GDBMZVCRSA-N 0 3 260.381 2.440 10 0 CEAEHN CCOc1ccc([C@H](CN(C)C[C@@H]2CCCO2)NC)cc1 ZINC000043965863 175126922 /nfs/dbraw/zinc/12/69/22/175126922.db2.gz QVKLCQRJWMNSRQ-IRXDYDNUSA-N 0 3 292.423 2.457 10 0 CEAEHN CCOc1ccccc1[C@@H](CN(CC)CCOC)NC ZINC000043968540 175129994 /nfs/dbraw/zinc/12/99/94/175129994.db2.gz SOGFMRATIKLXKG-OAHLLOKOSA-N 0 3 280.412 2.314 10 0 CEAEHN CCN[C@@H](CN(C)[C@@H](C)COC)c1ccccc1OC ZINC000043969189 175130608 /nfs/dbraw/zinc/13/06/08/175130608.db2.gz YWJUQOJBLJLSHO-ZFWWWQNUSA-N 0 3 280.412 2.313 10 0 CEAEHN CCN[C@@H](CN(CCOC)C1CC1)c1ccccc1OC ZINC000043969908 175131551 /nfs/dbraw/zinc/13/15/51/175131551.db2.gz XXYPHTBLZRTBCL-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN C[C@H](N[C@H](CN(C)C)c1ccccc1)c1cnn(C)c1 ZINC000044495153 175182621 /nfs/dbraw/zinc/18/26/21/175182621.db2.gz ZHPDAYUEZWVCGB-XJKSGUPXSA-N 0 3 272.396 2.374 10 0 CEAEHN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1cnn(C)c1 ZINC000044495155 175182776 /nfs/dbraw/zinc/18/27/76/175182776.db2.gz ZHPDAYUEZWVCGB-CZUORRHYSA-N 0 3 272.396 2.374 10 0 CEAEHN O=C1NCCCC[C@@H]1N[C@@H]1CCCc2cc(O)ccc21 ZINC000044747169 175242646 /nfs/dbraw/zinc/24/26/46/175242646.db2.gz MESIJWZDDZIFKR-CABCVRRESA-N 0 3 274.364 2.028 10 0 CEAEHN Cn1cc(CN[C@@H]2CCCc3cc(O)ccc32)cn1 ZINC000044747498 175243007 /nfs/dbraw/zinc/24/30/07/175243007.db2.gz CIGYUYBHIPJYBW-OAHLLOKOSA-N 0 3 257.337 2.293 10 0 CEAEHN CC[C@H]1CCCN(C(=O)[C@@H](CN)Cc2ccccc2)C1 ZINC000044802133 175255674 /nfs/dbraw/zinc/25/56/74/175255674.db2.gz DZXRRBQPVYNBSC-GOEBONIOSA-N 0 3 274.408 2.453 10 0 CEAEHN CC(C)CCN(C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044804460 175256128 /nfs/dbraw/zinc/25/61/28/175256128.db2.gz MQXBBXMETVJEQV-OAHLLOKOSA-N 0 3 262.397 2.309 10 0 CEAEHN CN(CC(N)=S)Cc1ccc(Br)s1 ZINC000045062926 175298905 /nfs/dbraw/zinc/29/89/05/175298905.db2.gz IWLZCDZWFMXDRY-UHFFFAOYSA-N 0 3 279.228 2.229 10 0 CEAEHN CCCNC(=O)CCN[C@@H]1CCOc2ccccc21 ZINC000045072258 175301833 /nfs/dbraw/zinc/30/18/33/175301833.db2.gz KYTHAHKFFRPRKZ-CYBMUJFWSA-N 0 3 262.353 2.016 10 0 CEAEHN CC[C@@H](C)NC(=O)CCN[C@H](C)c1c(C)nn(CC)c1C ZINC000045171874 175321095 /nfs/dbraw/zinc/32/10/95/175321095.db2.gz PPLSERNSKPXYJD-VXGBXAGGSA-N 0 3 294.443 2.475 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NC[C@@H]1CCCCO1 ZINC000045172617 175321974 /nfs/dbraw/zinc/32/19/74/175321974.db2.gz KINCGSZUYRTUQD-GWCFXTLKSA-N 0 3 251.374 2.257 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NC[C@@H]1CCCCN1C ZINC000045172747 175322168 /nfs/dbraw/zinc/32/21/68/175322168.db2.gz KQFJCLOTJVPMQS-FZMZJTMJSA-N 0 3 264.417 2.172 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@@H]2CCN(C3CC3)C2)c1C ZINC000045172776 175322278 /nfs/dbraw/zinc/32/22/78/175322278.db2.gz QJLGGUQMFLZATF-BXUZGUMPSA-N 0 3 276.428 2.407 10 0 CEAEHN CC[C@@H]1CSC(NCc2ccc(S(C)(=O)=O)cc2)=N1 ZINC000045173906 175322838 /nfs/dbraw/zinc/32/28/38/175322838.db2.gz SPGFGLNQVORTNV-LLVKDONJSA-N 0 3 298.433 2.061 10 0 CEAEHN CCN[C@](CN1CCCC1)(C(=O)OCC)c1ccccc1 ZINC000045225697 175332912 /nfs/dbraw/zinc/33/29/12/175332912.db2.gz CKOLUIKDPJRECR-KRWDZBQOSA-N 0 3 290.407 2.150 10 0 CEAEHN CCCN[C@@](C)(CN1CCCC[C@@H]1C)C(=O)OCC ZINC000045226974 175333297 /nfs/dbraw/zinc/33/32/97/175333297.db2.gz ZJCSWYDWWMAXGE-ZFWWWQNUSA-N 0 3 270.417 2.182 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231861 175335876 /nfs/dbraw/zinc/33/58/76/175335876.db2.gz FUSOXYJGYXOKBH-GUTXKFCHSA-N 0 3 270.417 2.482 10 0 CEAEHN CC[NH2+][C@@](C)(CCN1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265909 175339322 /nfs/dbraw/zinc/33/93/22/175339322.db2.gz JOLPNQATASPHDF-JSGCOSHPSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265909 175339323 /nfs/dbraw/zinc/33/93/23/175339323.db2.gz JOLPNQATASPHDF-JSGCOSHPSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@](C)(CC[N@H+]1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265909 175339324 /nfs/dbraw/zinc/33/93/24/175339324.db2.gz JOLPNQATASPHDF-JSGCOSHPSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@@](C)(CN(C)[C@@H](C)C(C)(C)C)C(=O)OC ZINC000045274722 175345368 /nfs/dbraw/zinc/34/53/68/175345368.db2.gz AJTJZIIHXPNOJU-WFASDCNBSA-N 0 3 272.433 2.284 10 0 CEAEHN CCOC(=O)[C@](C)(CN(CC(C)C)C1CC1)NC1CC1 ZINC000045277519 175347384 /nfs/dbraw/zinc/34/73/84/175347384.db2.gz JPHHUMOTCBHKLP-INIZCTEOSA-N 0 3 282.428 2.181 10 0 CEAEHN CC(C)N[C@](C)(CC[N@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281014 175351146 /nfs/dbraw/zinc/35/11/46/175351146.db2.gz SDGMIEMWZVFFQV-OAHLLOKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)N[C@](C)(CC[N@@H+](CC1CC1)C(C)C)C(=O)[O-] ZINC000045281014 175351149 /nfs/dbraw/zinc/35/11/49/175351149.db2.gz SDGMIEMWZVFFQV-OAHLLOKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CCOC(=O)[C@](C)(N)CCCN1CCc2ccccc2C1 ZINC000045378780 175368289 /nfs/dbraw/zinc/36/82/89/175368289.db2.gz IBVCWSNWFVNNLV-QGZVFWFLSA-N 0 3 290.407 2.105 10 0 CEAEHN C[NH2+][C@](C)(CCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000045378751 175368490 /nfs/dbraw/zinc/36/84/90/175368490.db2.gz MASKSWCOURWEDX-QGZVFWFLSA-N 0 3 290.407 2.278 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H](C)C2(CO)CC2)c1C ZINC000658160860 415238603 /nfs/dbraw/zinc/23/86/03/415238603.db2.gz PRERUGCTZIXJHX-GWCFXTLKSA-N 0 3 265.401 2.331 10 0 CEAEHN NC(=O)C1CCN(Cc2cnoc2-c2ccccc2)CC1 ZINC000065288891 175708071 /nfs/dbraw/zinc/70/80/71/175708071.db2.gz JSTPNEVPSFBUGD-UHFFFAOYSA-N 0 3 285.347 2.039 10 0 CEAEHN Cc1ccc(CN)cc1S(=O)(=O)N[C@H](C)C1CCCC1 ZINC000070431291 175926571 /nfs/dbraw/zinc/92/65/71/175926571.db2.gz XZYIKDMAAGYDJG-GFCCVEGCSA-N 0 3 296.436 2.311 10 0 CEAEHN Cc1nn(-c2ncc(CN)cc2Cl)cc1Cl ZINC000070704775 176002570 /nfs/dbraw/zinc/00/25/70/176002570.db2.gz IHYABTVJLKHZJH-UHFFFAOYSA-N 0 3 257.124 2.341 10 0 CEAEHN Nc1cc(Cl)ccc1SC[C@@H]1CNCCO1 ZINC000070834368 176007980 /nfs/dbraw/zinc/00/79/80/176007980.db2.gz KSHUYJKXXAIGCM-VIFPVBQESA-N 0 3 258.774 2.003 10 0 CEAEHN Cc1ccc([C@H]2[C@H](N)CCC(=O)N2C(C)C)s1 ZINC000070987024 176018372 /nfs/dbraw/zinc/01/83/72/176018372.db2.gz FCGGCBHSQMPWQD-ZWNOBZJWSA-N 0 3 252.383 2.456 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1[C@H]1C[C@@H]1c1ccccc1 ZINC000071031710 176023018 /nfs/dbraw/zinc/02/30/18/176023018.db2.gz NLBNKSOEDHRGPX-PMPSAXMXSA-N 0 3 270.376 2.286 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1CCc1ccc(Cl)cc1 ZINC000071034429 176024798 /nfs/dbraw/zinc/02/47/98/176024798.db2.gz BNPPHHKAQUWVKT-AWEZNQCLSA-N 0 3 278.783 2.235 10 0 CEAEHN CCCN[C@H]1CCN(c2nc(C3CC3)cs2)C1=O ZINC000071036496 176025915 /nfs/dbraw/zinc/02/59/15/176025915.db2.gz HZAUPUBIHZYQAS-JTQLQIEISA-N 0 3 265.382 2.125 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1[C@@H]1CCOc2ccccc21 ZINC000071043273 176028993 /nfs/dbraw/zinc/02/89/93/176028993.db2.gz HOOOMIAMXBDNSD-HUUCEWRRSA-N 0 3 286.375 2.253 10 0 CEAEHN C[C@H](Cn1ccnc1)NC[C@@H]1OCCc2ccccc21 ZINC000071090885 176031531 /nfs/dbraw/zinc/03/15/31/176031531.db2.gz FXXVMILERCASHJ-CJNGLKHVSA-N 0 3 271.364 2.175 10 0 CEAEHN CN[C@H](C)c1cnn(C[C@@H]2OCCc3ccccc32)c1 ZINC000071098993 176032562 /nfs/dbraw/zinc/03/25/62/176032562.db2.gz TXPNDZMTNOZIHP-WBMJQRKESA-N 0 3 271.364 2.478 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cccc(Br)c2)C1 ZINC000071139995 176038321 /nfs/dbraw/zinc/03/83/21/176038321.db2.gz KBNDFAVGOMFOKT-GFCCVEGCSA-N 0 3 297.196 2.225 10 0 CEAEHN CN1CC[C@@H](C[N@H+](C)Cc2sccc2/C=C/C(=O)[O-])C1 ZINC000071190552 176066797 /nfs/dbraw/zinc/06/67/97/176066797.db2.gz LGKKLKWKVGXBFZ-AAOUONPWSA-N 0 3 294.420 2.229 10 0 CEAEHN CN1CC[C@@H](C[N@@H+](C)Cc2sccc2/C=C/C(=O)[O-])C1 ZINC000071190552 176066798 /nfs/dbraw/zinc/06/67/98/176066798.db2.gz LGKKLKWKVGXBFZ-AAOUONPWSA-N 0 3 294.420 2.229 10 0 CEAEHN COc1ccc([C@H]2CNC[C@H](C3CC3)O2)cc1OC ZINC000071308850 176116206 /nfs/dbraw/zinc/11/62/06/176116206.db2.gz QAVZBLLPYGUBNF-HUUCEWRRSA-N 0 3 263.337 2.143 10 0 CEAEHN CC(C)Cn1ccnc(NCCN(C)C2CCCC2)c1=O ZINC000071377588 176142692 /nfs/dbraw/zinc/14/26/92/176142692.db2.gz ZZVOQJISNVEMKB-UHFFFAOYSA-N 0 3 292.427 2.186 10 0 CEAEHN CN(CCNc1nccn(C(C)(C)C)c1=O)C1CCCC1 ZINC000071377531 176142969 /nfs/dbraw/zinc/14/29/69/176142969.db2.gz SIUXTXUOEHEYAH-UHFFFAOYSA-N 0 3 292.427 2.285 10 0 CEAEHN CCN1CCC[C@H]1CNC(=O)c1ccc(N)c(Cl)c1 ZINC000071394895 176149825 /nfs/dbraw/zinc/14/98/25/176149825.db2.gz MIZYRFZIHUAUCT-NSHDSACASA-N 0 3 281.787 2.136 10 0 CEAEHN NCc1[nH]cnc1-c1cc(Br)cs1 ZINC000071583613 176208164 /nfs/dbraw/zinc/20/81/64/176208164.db2.gz WRJMBNZGBNGUJE-UHFFFAOYSA-N 0 3 258.144 2.359 10 0 CEAEHN CN1CCN[C@@H](c2cc(Br)cs2)C1 ZINC000071587282 176214918 /nfs/dbraw/zinc/21/49/18/176214918.db2.gz QYXIHLCBGGLAJZ-MRVPVSSYSA-N 0 3 261.188 2.087 10 0 CEAEHN CO[C@@H](CNC(=O)[C@@]1(C)CCCCN1)C1CCCCC1 ZINC000662733765 415947128 /nfs/dbraw/zinc/94/71/28/415947128.db2.gz MWQYYSJLXNVSPG-GOEBONIOSA-N 0 3 282.428 2.230 10 0 CEAEHN CN[C@H](C)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000662741512 415950847 /nfs/dbraw/zinc/95/08/47/415950847.db2.gz MGUNVKGJKNHXLG-TZMCWYRMSA-N 0 3 252.402 2.413 10 0 CEAEHN C[C@H](O)c1ccc(N(C)CCN(C)C)cc1Cl ZINC000078944828 177408300 /nfs/dbraw/zinc/40/83/00/177408300.db2.gz CNPLXRSNFCETTR-JTQLQIEISA-N 0 3 256.777 2.391 10 0 CEAEHN COc1cccc([C@@H](N)CN2CC[C@@H](C)CCC2=O)c1 ZINC000079245967 177456052 /nfs/dbraw/zinc/45/60/52/177456052.db2.gz JBKTYYZKNGTTKY-WFASDCNBSA-N 0 3 276.380 2.344 10 0 CEAEHN Cc1c(Cl)cnn1CCNCc1cccnc1 ZINC000080019327 177597210 /nfs/dbraw/zinc/59/72/10/177597210.db2.gz WKOMBSRXROXIDJ-UHFFFAOYSA-N 0 3 250.733 2.030 10 0 CEAEHN COCCOCCn1nc(CNC(C)C)c2ccccc21 ZINC000080069494 177604463 /nfs/dbraw/zinc/60/44/63/177604463.db2.gz CMGQPSWTQUBWHO-UHFFFAOYSA-N 0 3 291.395 2.197 10 0 CEAEHN CCNC(=O)[C@H]1C[C@H](c2ccc(OC(C)C)cc2)CCN1 ZINC000080099833 177606839 /nfs/dbraw/zinc/60/68/39/177606839.db2.gz VMHMCLOMMNJMCI-GDBMZVCRSA-N 0 3 290.407 2.446 10 0 CEAEHN C[C@H](NC(=O)C(C)(C)N)C12CC3CC(CC(C3)C1)C2 ZINC000040920044 289806725 /nfs/dbraw/zinc/80/67/25/289806725.db2.gz HOXAHVWFGYEVDP-HXTFMFRQSA-N 0 3 264.413 2.445 10 0 CEAEHN Cc1noc(C)c1[C@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000136187318 419440807 /nfs/dbraw/zinc/44/08/07/419440807.db2.gz ZACCRUDDBHCTBZ-LKFCYVNXSA-N 0 3 265.357 2.001 10 0 CEAEHN COc1ccc([C@H](C)CNCc2cc(C(N)=O)co2)cc1 ZINC000189417753 270261968 /nfs/dbraw/zinc/26/19/68/270261968.db2.gz QWPYFHBHRLGXFH-LLVKDONJSA-N 0 3 288.347 2.280 10 0 CEAEHN C[C@H](CCN[C@@H](C)c1ccnn1C)NC(=O)OC(C)(C)C ZINC000192979870 270282416 /nfs/dbraw/zinc/28/24/16/270282416.db2.gz QUGYVAWXWGBODK-NEPJUHHUSA-N 0 3 296.415 2.374 10 0 CEAEHN C[C@H](NC[C@@H](O)C1CCC1)c1nc2ccccc2n1C ZINC000316693677 270334682 /nfs/dbraw/zinc/33/46/82/270334682.db2.gz DIVYYUJHSHCRKZ-XHDPSFHLSA-N 0 3 273.380 2.385 10 0 CEAEHN CC(C)C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccccn1 ZINC000180495026 275588026 /nfs/dbraw/zinc/58/80/26/275588026.db2.gz JMWBITDVNFKGIG-GDBMZVCRSA-N 0 3 277.412 2.089 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1F ZINC000175348228 276182682 /nfs/dbraw/zinc/18/26/82/276182682.db2.gz FFLMDJHOTSLATQ-ZDUSSCGKSA-N 0 3 293.386 2.180 10 0 CEAEHN CCC[C@@H](N)C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262530433 276270925 /nfs/dbraw/zinc/27/09/25/276270925.db2.gz IBKAIHRMDVLGQV-CQSZACIVSA-N 0 3 260.381 2.434 10 0 CEAEHN CCOC(=O)c1c(N)sc2c1C[C@H]1CC[C@@H]2N1C ZINC000020523842 276296842 /nfs/dbraw/zinc/29/68/42/276296842.db2.gz JHDBJDHHIRRQPX-APPZFPTMSA-N 0 3 266.366 2.198 10 0 CEAEHN CN1CCO[C@H](CN[C@H]2CCc3c2cccc3Cl)C1 ZINC000246516914 277128268 /nfs/dbraw/zinc/12/82/68/277128268.db2.gz BYFMXRXMBVOZST-ABAIWWIYSA-N 0 3 280.799 2.248 10 0 CEAEHN CC(C)CCNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000079072291 277355440 /nfs/dbraw/zinc/35/54/40/277355440.db2.gz LVQDFMVJKIAZLX-ZDUSSCGKSA-N 0 3 257.422 2.308 10 0 CEAEHN COc1ccc([C@H](NC[C@@H]2CN(C)CCO2)C(C)C)cc1 ZINC000180163452 277429688 /nfs/dbraw/zinc/42/96/88/277429688.db2.gz XPKJYQHUCZOMEY-IAGOWNOFSA-N 0 3 292.423 2.313 10 0 CEAEHN C[C@@H]1CCN[C@H](C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000253163172 278570229 /nfs/dbraw/zinc/57/02/29/278570229.db2.gz WOMIHCURSSHQDP-XBFCOCLRSA-N 0 3 274.364 2.015 10 0 CEAEHN CCC[C@H](C(=O)N1CCOC2(CCCCC2)C1)N(C)C ZINC000179453599 278919553 /nfs/dbraw/zinc/91/95/53/278919553.db2.gz PTDYWGQWBWOOPA-CQSZACIVSA-N 0 3 282.428 2.278 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)N(C)C ZINC000161553907 278923062 /nfs/dbraw/zinc/92/30/62/278923062.db2.gz YHUCVNPPUGZLIS-BXUZGUMPSA-N 0 3 288.395 2.470 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1cccc(O)c1 ZINC000049560338 279122204 /nfs/dbraw/zinc/12/22/04/279122204.db2.gz YCOXSABRMFOBDA-CQSZACIVSA-N 0 3 278.396 2.027 10 0 CEAEHN C[C@H](C(=O)N1CCS[C@@H](C)C1)N1CCCCCC1 ZINC000173133550 279201557 /nfs/dbraw/zinc/20/15/57/279201557.db2.gz ZYZGTEBLSYXBMV-QWHCGFSZSA-N 0 3 270.442 2.215 10 0 CEAEHN C[C@H](N[C@H]1CC(=O)N(C)c2ccccc21)[C@@H]1CCOC1 ZINC000224165851 279531225 /nfs/dbraw/zinc/53/12/25/279531225.db2.gz CTCOXOUAGGCWEE-SCRDCRAPSA-N 0 3 274.364 2.109 10 0 CEAEHN C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccccn1 ZINC000179473079 279553980 /nfs/dbraw/zinc/55/39/80/279553980.db2.gz IYEQBJWXPNYVEJ-UVBJJODRSA-N 0 3 254.333 2.391 10 0 CEAEHN C[C@H]1CC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)O1 ZINC000151001760 279743046 /nfs/dbraw/zinc/74/30/46/279743046.db2.gz VJRTVAZJZGAVCH-HOCLYGCPSA-N 0 3 294.439 2.278 10 0 CEAEHN Cc1cc(C)cc(CCC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000128437192 279887760 /nfs/dbraw/zinc/88/77/60/279887760.db2.gz JEABNBOLSRGNIB-MRXNPFEDSA-N 0 3 274.408 2.399 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)c(F)c1 ZINC000282363693 280040339 /nfs/dbraw/zinc/04/03/39/280040339.db2.gz NMBDFOGFJAGPRP-PELKAZGASA-N 0 3 270.735 2.236 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC1CCCC1 ZINC000135581393 280049849 /nfs/dbraw/zinc/04/98/49/280049849.db2.gz CBTIVFYGTODAJZ-CYBMUJFWSA-N 0 3 253.390 2.055 10 0 CEAEHN CCO[C@H](CCNC(=O)N[C@@H]1CCCN(CC)C1)C(C)C ZINC000245431607 280239743 /nfs/dbraw/zinc/23/97/43/280239743.db2.gz OCZOOIMNLGNPKV-HUUCEWRRSA-N 0 3 299.459 2.221 10 0 CEAEHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000246104207 280274135 /nfs/dbraw/zinc/27/41/35/280274135.db2.gz QJXLNFMRDHLERF-LJISPDSOSA-N 0 3 279.428 2.301 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000246160899 280277726 /nfs/dbraw/zinc/27/77/26/280277726.db2.gz KSRMWSUPDTWUMK-OCCSQVGLSA-N 0 3 279.428 2.443 10 0 CEAEHN CCc1cc(C)c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)o1 ZINC000246261729 280283969 /nfs/dbraw/zinc/28/39/69/280283969.db2.gz JPMWJEJNJPHWPC-OLZOCXBDSA-N 0 3 276.380 2.459 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccnc1C ZINC000246543981 280300456 /nfs/dbraw/zinc/30/04/56/280300456.db2.gz KBFHMOACZLGBAA-KGLIPLIRSA-N 0 3 273.380 2.089 10 0 CEAEHN Cc1ccccc1CCCN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246960340 280316021 /nfs/dbraw/zinc/31/60/21/280316021.db2.gz OJOLZRJFYRAMSR-SJORKVTESA-N 0 3 290.451 2.315 10 0 CEAEHN CC/C=C/CCN1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000248632562 280356118 /nfs/dbraw/zinc/35/61/18/280356118.db2.gz SRLFQCYCRUFXBZ-MFHOCJEASA-N 0 3 254.418 2.120 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccnc(F)c1F ZINC000193575858 288310826 /nfs/dbraw/zinc/31/08/26/288310826.db2.gz YUSKAGNRWUJDAT-WDEREUQCSA-N 0 3 295.333 2.059 10 0 CEAEHN COc1cc([C@H](C)NC[C@@H](C)N2CCOCC2)ccc1F ZINC000152726170 289096164 /nfs/dbraw/zinc/09/61/64/289096164.db2.gz VLTUPQKRMHIMQC-OLZOCXBDSA-N 0 3 296.386 2.206 10 0 CEAEHN CN(C)CCN(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000176158158 289127935 /nfs/dbraw/zinc/12/79/35/289127935.db2.gz OCGRJNSMVGAZJJ-UHFFFAOYSA-N 0 3 279.428 2.014 10 0 CEAEHN CCc1cnccc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000155284226 289170584 /nfs/dbraw/zinc/17/05/84/289170584.db2.gz UUUPZGKSJYTKRV-AWEZNQCLSA-N 0 3 277.412 2.350 10 0 CEAEHN CN(C)C[C@H]1CN(CC2CCC(C)(C)CC2)CCO1 ZINC000156642762 289200133 /nfs/dbraw/zinc/20/01/33/289200133.db2.gz HCVDWBLYEKEJCW-HNNXBMFYSA-N 0 3 268.445 2.465 10 0 CEAEHN C[C@H](c1ccccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000173922924 290266054 /nfs/dbraw/zinc/26/60/54/290266054.db2.gz JXXJNLZYMSGHHO-KGLIPLIRSA-N 0 3 278.371 2.293 10 0 CEAEHN C[C@H]1CC(C(=O)N2CCN3CCC[C@@H]3C2)C[C@H](C)C1 ZINC000180090235 290328788 /nfs/dbraw/zinc/32/87/88/290328788.db2.gz GDOGMKXRYRKUOZ-UMVBOHGHSA-N 0 3 264.413 2.365 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccnc1Cl ZINC000247558162 297100464 /nfs/dbraw/zinc/10/04/64/297100464.db2.gz ZVNFXVFCXHEVCL-MNOVXSKESA-N 0 3 279.771 2.044 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC000170855733 297471289 /nfs/dbraw/zinc/47/12/89/297471289.db2.gz QWCFASATCLFKOR-HNNXBMFYSA-N 0 3 288.391 2.252 10 0 CEAEHN C[C@H](N[C@@H]1CCCn2ncnc21)C1CCSCC1 ZINC000187286017 321757858 /nfs/dbraw/zinc/75/78/58/321757858.db2.gz XYIRBEVILGCWLP-CMPLNLGQSA-N 0 3 266.414 2.234 10 0 CEAEHN CC(C)C[NH+](CC[C@H](NC(C)C)C(=O)[O-])CC(C)C ZINC000062454405 519717447 /nfs/dbraw/zinc/71/74/47/519717447.db2.gz DRMONTFDIIWOFN-AWEZNQCLSA-N 0 3 272.433 2.442 10 0 CEAEHN CC(C)[C@@H]1CCC(=O)[C@H](CN(CCO)C2CC2)C1 ZINC000054559347 519801859 /nfs/dbraw/zinc/80/18/59/519801859.db2.gz FLBZEYIXOXGGKN-OLZOCXBDSA-N 0 3 253.386 2.085 10 0 CEAEHN CCCC1CC[NH+](CC[C@H](NC2CC2)C(=O)[O-])CC1 ZINC000062531124 519901398 /nfs/dbraw/zinc/90/13/98/519901398.db2.gz IBHGISXOWYGWMB-AWEZNQCLSA-N 0 3 268.401 2.094 10 0 CEAEHN CCNCc1cc(CN(CCOC)[C@H](C)COC)oc1C ZINC000052572325 519987920 /nfs/dbraw/zinc/98/79/20/519987920.db2.gz BPZPAKHLZURMFR-CYBMUJFWSA-N 0 3 298.427 2.181 10 0 CEAEHN CCNCc1ccc(CN(C)CC(F)(F)F)o1 ZINC000052483275 519995957 /nfs/dbraw/zinc/99/59/57/519995957.db2.gz UAFBRDQZGLFFIF-UHFFFAOYSA-N 0 3 250.264 2.383 10 0 CEAEHN CCNCc1cnc(N2C[C@@H](C)OC(C)(C)C2)s1 ZINC000054908052 520015104 /nfs/dbraw/zinc/01/51/04/520015104.db2.gz HUEHTDWJPIBGKK-SNVBAGLBSA-N 0 3 269.414 2.256 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1ccc(C)cc1C)C(N)=O ZINC000068655182 520147950 /nfs/dbraw/zinc/14/79/50/520147950.db2.gz VEPYQGVYFREOEV-BBRMVZONSA-N 0 3 278.396 2.314 10 0 CEAEHN CCCCCN(C)C[C@@](NC)(C(=O)OCC)C1CC1 ZINC000069098412 520151867 /nfs/dbraw/zinc/15/18/67/520151867.db2.gz DAXQSJKWPILADB-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Sc1ccccc1OC)C(N)=O ZINC000068639796 520243125 /nfs/dbraw/zinc/24/31/25/520243125.db2.gz INBWCWIQTABXQB-XHDPSFHLSA-N 0 3 296.436 2.419 10 0 CEAEHN CCO[C@@H]1CCCN(Cc2cc(C)c(CNC)o2)C1 ZINC000052372359 520320080 /nfs/dbraw/zinc/32/00/80/520320080.db2.gz UXSLCVXYJMNLAS-CYBMUJFWSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCCN(CC)C[C@@](NCC)(C(=O)OCC)C1CC1 ZINC000069090279 520479085 /nfs/dbraw/zinc/47/90/85/520479085.db2.gz ZDQDLQPMIYBMGB-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CC[C@@H](C)N1CCN([C@H](CN)c2ccc(C)o2)CC1 ZINC000055064069 522132022 /nfs/dbraw/zinc/13/20/22/522132022.db2.gz PQQYXDSCBQZTQE-TZMCWYRMSA-N 0 3 265.401 2.004 10 0 CEAEHN CN[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000052395705 522437067 /nfs/dbraw/zinc/43/70/67/522437067.db2.gz DLYSDMMADKCNHA-SECBINFHSA-N 0 3 285.185 2.015 10 0 CEAEHN COc1ccc(CNCCN(C)C2CC2)cc1F ZINC000061992431 518151479 /nfs/dbraw/zinc/15/14/79/518151479.db2.gz OVGAREFYTFUNKS-UHFFFAOYSA-N 0 3 252.333 2.018 10 0 CEAEHN CC(C)(C)N1CCN(Cc2nc(N)ccc2Cl)CC1 ZINC000061638816 518712877 /nfs/dbraw/zinc/71/28/77/518712877.db2.gz SEHDSDDKCWUQIJ-UHFFFAOYSA-N 0 3 282.819 2.233 10 0 CEAEHN CC(C)(C)NCc1nccn1Cc1cn2ccccc2n1 ZINC000051015506 518768426 /nfs/dbraw/zinc/76/84/26/518768426.db2.gz WYVNTIRUPPMKMO-UHFFFAOYSA-N 0 3 283.379 2.467 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N)c(F)cc1F ZINC000049551032 519338863 /nfs/dbraw/zinc/33/88/63/519338863.db2.gz DUWWBNHUNGTKJB-SNVBAGLBSA-N 0 3 299.365 2.253 10 0 CEAEHN CC(C)CCNC(=O)[C@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555869 519660401 /nfs/dbraw/zinc/66/04/01/519660401.db2.gz VINVOPJPYFQBRQ-GJZGRUSLSA-N 0 3 285.476 2.103 10 0 CEAEHN CC(C)CN1CCN(C[C@H]2CCCCCC2=O)CC1 ZINC000055081652 519726641 /nfs/dbraw/zinc/72/66/41/519726641.db2.gz SZVGCBPPFKCVOX-OAHLLOKOSA-N 0 3 266.429 2.409 10 0 CEAEHN CC(C)NCc1ccc(CN2CCOCC2(C)C)o1 ZINC000052546095 519726844 /nfs/dbraw/zinc/72/68/44/519726844.db2.gz ZRIIUJDJTUEOMK-UHFFFAOYSA-N 0 3 266.385 2.388 10 0 CEAEHN CC(C)CN1CCN([C@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000055080959 519728104 /nfs/dbraw/zinc/72/81/04/519728104.db2.gz VYWHXTWFDFCBNB-NVXWUHKLSA-N 0 3 276.424 2.382 10 0 CEAEHN CC(C)NCc1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900498 519728446 /nfs/dbraw/zinc/72/84/46/519728446.db2.gz FEEQVYWYWSBYEP-PHIMTYICSA-N 0 3 269.414 2.255 10 0 CEAEHN CC(C)CNCc1cc(CN(C)[C@@H]2CCSC2)on1 ZINC000052453320 519746809 /nfs/dbraw/zinc/74/68/09/519746809.db2.gz ZGYICLFQWWCJOO-CYBMUJFWSA-N 0 3 283.441 2.358 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccccc1Cl ZINC000054744441 519748826 /nfs/dbraw/zinc/74/88/26/519748826.db2.gz LXJABYOTKWRYIN-UHFFFAOYSA-N 0 3 265.748 2.061 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(N)cc1Cl ZINC000049191858 519793420 /nfs/dbraw/zinc/79/34/20/519793420.db2.gz IONFZXBLRSQIBE-CYBMUJFWSA-N 0 3 283.803 2.238 10 0 CEAEHN CC(C)[C@H](CN(C)C)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000049199215 519814987 /nfs/dbraw/zinc/81/49/87/519814987.db2.gz IOOJREFOWQUMFN-GJZGRUSLSA-N 0 3 289.423 2.270 10 0 CEAEHN CC(C)[C@H]1CC[C@H](C)c2c1[nH]nc2N1CCNCC1 ZINC000062670031 519826038 /nfs/dbraw/zinc/82/60/38/519826038.db2.gz AYFHULBOIPESKI-NWDGAFQWSA-N 0 3 262.401 2.456 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1ccc2c(c1)OC[C@H]2NCC ZINC000062804840 519893764 /nfs/dbraw/zinc/89/37/64/519893764.db2.gz VRPOQCDLOOTPIW-SMDDNHRTSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCC1CCN(Cc2ccnc(C(=N)N)c2)CC1 ZINC000068761835 519902063 /nfs/dbraw/zinc/90/20/63/519902063.db2.gz XAIWRUXPSDXISH-UHFFFAOYSA-N 0 3 260.385 2.378 10 0 CEAEHN CCNCc1cc(CN(CCOC)C(CC)CC)on1 ZINC000052573346 519988123 /nfs/dbraw/zinc/98/81/23/519988123.db2.gz YRQSVXIHXQFKSV-UHFFFAOYSA-N 0 3 283.416 2.421 10 0 CEAEHN CCNCc1ccc(CN2CCO[C@H]3CCC[C@@H]32)o1 ZINC000052540193 519994791 /nfs/dbraw/zinc/99/47/91/519994791.db2.gz QVLLNUQAAXVEMB-GJZGRUSLSA-N 0 3 264.369 2.142 10 0 CEAEHN CCCN[C@@H](Cc1nc(C)cs1)c1ccnn1C ZINC000069467885 520016123 /nfs/dbraw/zinc/01/61/23/520016123.db2.gz LWATXKAFVDKDCC-NSHDSACASA-N 0 3 264.398 2.468 10 0 CEAEHN CCNCc1coc(CN2C[C@H](C)OC(C)(C)C2)c1 ZINC000052543543 520018443 /nfs/dbraw/zinc/01/84/43/520018443.db2.gz SUVPBVPLEOLTSY-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1nccn1Cc1cc(C)ccc1OC ZINC000051004832 520023023 /nfs/dbraw/zinc/02/30/23/520023023.db2.gz YANLVJIVTFOSSM-UHFFFAOYSA-N 0 3 259.353 2.358 10 0 CEAEHN CCNCc1occc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000052540218 520031175 /nfs/dbraw/zinc/03/11/75/520031175.db2.gz CEJAGXKYUMOFGJ-UONOGXRCSA-N 0 3 264.369 2.142 10 0 CEAEHN CCN[C@@H](C)c1cc(C)ccc1OC[C@@H](O)COCC ZINC000069275543 520074206 /nfs/dbraw/zinc/07/42/06/520074206.db2.gz VEAOPWIECVBFSK-KBPBESRZSA-N 0 3 281.396 2.442 10 0 CEAEHN CCCN[C@H](CCOc1ccccc1OCCC)C(N)=O ZINC000062544583 520079610 /nfs/dbraw/zinc/07/96/10/520079610.db2.gz MTQPIKGPAIQFHB-CYBMUJFWSA-N 0 3 294.395 2.098 10 0 CEAEHN CCN[C@@H](CCOc1ccc(C(C)(C)C)cc1)C(N)=O ZINC000062548953 520090289 /nfs/dbraw/zinc/09/02/89/520090289.db2.gz CJKTUKATAJANTL-AWEZNQCLSA-N 0 3 278.396 2.216 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1OC)[C@@H]1COCCO1 ZINC000055300538 520091222 /nfs/dbraw/zinc/09/12/22/520091222.db2.gz JRVMEAPNJLPIEN-JKSUJKDBSA-N 0 3 295.379 2.160 10 0 CEAEHN CCN[C@@H](CCOc1cccc(C(C)(C)C)c1)C(N)=O ZINC000062594654 520092655 /nfs/dbraw/zinc/09/26/55/520092655.db2.gz LOJAFEKBQAIOKC-AWEZNQCLSA-N 0 3 278.396 2.216 10 0 CEAEHN CCN[C@@H](CCOc1ccccc1[C@H](C)CC)C(N)=O ZINC000062551004 520094660 /nfs/dbraw/zinc/09/46/60/520094660.db2.gz OOUSZRCTBGPGEC-OCCSQVGLSA-N 0 3 278.396 2.432 10 0 CEAEHN CCCCCC[C@@H](C)OCC[C@@H](NC1CC1)C(N)=O ZINC000062542720 520121174 /nfs/dbraw/zinc/12/11/74/520121174.db2.gz GPIBLVBLZNCKBX-TZMCWYRMSA-N 0 3 270.417 2.358 10 0 CEAEHN CCN[C@@H]1COc2cc(OC[C@H]3CCOC3)ccc21 ZINC000062804581 520124909 /nfs/dbraw/zinc/12/49/09/520124909.db2.gz GOMMEGAXTUNWSY-SMDDNHRTSA-N 0 3 263.337 2.145 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1cc(C)cc(C)c1)C(N)=O ZINC000068656137 520142954 /nfs/dbraw/zinc/14/29/54/520142954.db2.gz QELGDISZLDGWJW-CJNGLKHVSA-N 0 3 278.396 2.314 10 0 CEAEHN CCCNc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000050779358 520150669 /nfs/dbraw/zinc/15/06/69/520150669.db2.gz FHRKKMQIICTLSM-OAHLLOKOSA-N 0 3 287.407 2.475 10 0 CEAEHN CCN[C@H](C)c1cc(Cl)ccc1OC[C@H]1CNC(=O)O1 ZINC000050210265 520176719 /nfs/dbraw/zinc/17/67/19/520176719.db2.gz UPKYOSLBAQSUTR-MWLCHTKSSA-N 0 3 298.770 2.498 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1ccccc1C ZINC000052885535 520197186 /nfs/dbraw/zinc/19/71/86/520197186.db2.gz NWPXKIIPBSKNPS-CQSZACIVSA-N 0 3 261.369 2.013 10 0 CEAEHN CCN[C@H]1COc2cc(OCCC(=O)NC(C)C)ccc21 ZINC000062804724 520221150 /nfs/dbraw/zinc/22/11/50/520221150.db2.gz OAIJJNDBNISSRB-AWEZNQCLSA-N 0 3 292.379 2.023 10 0 CEAEHN CCN[C@](C)(CCOc1cccc2ccccc21)C(N)=O ZINC000045519104 520232427 /nfs/dbraw/zinc/23/24/27/520232427.db2.gz VLBUGEHIMXUGSO-QGZVFWFLSA-N 0 3 286.375 2.462 10 0 CEAEHN CCN[C@](CN1CCC(C)CC1)(C(=O)OCC)C1CC1 ZINC000069092609 520247110 /nfs/dbraw/zinc/24/71/10/520247110.db2.gz KAKWUZDNWYYCRZ-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN[C@](CN1CCCCCC1)(C(=O)OCC)C1CC1 ZINC000069095154 520247175 /nfs/dbraw/zinc/24/71/75/520247175.db2.gz ASQXXSZLZPUEPK-INIZCTEOSA-N 0 3 282.428 2.184 10 0 CEAEHN CCCO[C@@H]1CCCN(Cc2nc(NN)ccc2Cl)C1 ZINC000061638720 520274380 /nfs/dbraw/zinc/27/43/80/520274380.db2.gz CXSFOUHPWPHVEL-LLVKDONJSA-N 0 3 298.818 2.412 10 0 CEAEHN CCNc1ccc(CN(C)[C@@H]2CCSC2)cn1 ZINC000050813304 520298519 /nfs/dbraw/zinc/29/85/19/520298519.db2.gz SJKXGQXRBBUYMF-GFCCVEGCSA-N 0 3 251.399 2.451 10 0 CEAEHN CCNc1ccc(CN2CCCC[C@H]2CCO)cn1 ZINC000050792889 520302565 /nfs/dbraw/zinc/30/25/65/520302565.db2.gz OSYNHKVFFNVREY-AWEZNQCLSA-N 0 3 263.385 2.250 10 0 CEAEHN CCNc1cccc(C(=O)N[C@@H](CC(C)C)CN(C)C)n1 ZINC000051071508 520334888 /nfs/dbraw/zinc/33/48/88/520334888.db2.gz NNAYXCVCFUXTRY-ZDUSSCGKSA-N 0 3 292.427 2.220 10 0 CEAEHN CCNc1ccnc(C(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000050777048 520346594 /nfs/dbraw/zinc/34/65/94/520346594.db2.gz NDMNGZAGHFLAMN-AWEZNQCLSA-N 0 3 292.427 2.220 10 0 CEAEHN CCO[C@H]1CCCN(c2nc(CC)c(CN)s2)C1 ZINC000055002323 520530168 /nfs/dbraw/zinc/53/01/68/520530168.db2.gz OBVKRIDHHOEEBX-JTQLQIEISA-N 0 3 269.414 2.170 10 0 CEAEHN CCCCN1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483582 520567996 /nfs/dbraw/zinc/56/79/96/520567996.db2.gz ZYUWVSNRESRJNX-UHFFFAOYSA-N 0 3 258.325 2.331 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)CCC[C@@H](C)[C@@H]1C ZINC000068631306 520689300 /nfs/dbraw/zinc/68/93/00/520689300.db2.gz ADADNRLLUZAXJO-IJEWVQPXSA-N 0 3 284.444 2.286 10 0 CEAEHN CCN(CC)CCN[C@@]1(C(=O)OC)C[C@H](C)CC[C@@H]1C ZINC000068631272 520690682 /nfs/dbraw/zinc/69/06/82/520690682.db2.gz QAEDJDYHZWPBMA-YCPHGPKFSA-N 0 3 284.444 2.286 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC1(c2ccccc2C)CC1 ZINC000157956106 520719068 /nfs/dbraw/zinc/71/90/68/520719068.db2.gz OQDQXCOPEDWSLN-CQSZACIVSA-N 0 3 260.381 2.270 10 0 CEAEHN CCOc1cc(F)ccc1NC(=O)C(C)(C)NC ZINC000061316427 520742761 /nfs/dbraw/zinc/74/27/61/520742761.db2.gz GMURTBOHVCHQQB-UHFFFAOYSA-N 0 3 254.305 2.161 10 0 CEAEHN CC[NH+](CC)[C@@H](Cn1c(=O)[n-][nH]c1=S)c1ccccc1 ZINC000061591594 520840648 /nfs/dbraw/zinc/84/06/48/520840648.db2.gz SBLCWVBJJCHTJE-LBPRGKRZSA-N 0 3 292.408 2.317 10 0 CEAEHN CC1CCC(N(CC(N)=O)Cc2ccccc2N)CC1 ZINC000068606652 520938865 /nfs/dbraw/zinc/93/88/65/520938865.db2.gz JAHDIIULXMXKKY-UHFFFAOYSA-N 0 3 275.396 2.135 10 0 CEAEHN CCC[C@H](CC)NS(=O)(=O)c1cccc2c1CCNC2 ZINC000050406161 521083454 /nfs/dbraw/zinc/08/34/54/521083454.db2.gz NDHGEOGQINRHBJ-ZDUSSCGKSA-N 0 3 296.436 2.189 10 0 CEAEHN CCOc1ccc(NC(=O)[C@@H](C)NC)cc1OCC ZINC000052395656 521099511 /nfs/dbraw/zinc/09/95/11/521099511.db2.gz FAYDAPMVUHEKQR-SNVBAGLBSA-N 0 3 266.341 2.030 10 0 CEAEHN CCC[C@H](CS(=O)(=O)c1ccccc1)NCC ZINC000061702695 521103097 /nfs/dbraw/zinc/10/30/97/521103097.db2.gz BCRJXEISPDDTOA-GFCCVEGCSA-N 0 3 255.383 2.239 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCCC(C)(C)C1)NC(C)C ZINC000069516507 521148559 /nfs/dbraw/zinc/14/85/59/521148559.db2.gz DXHAZKHEYWDIJN-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CCOC(=O)[C@@](CN1CCC(C)CC1)(NC1CC1)C1CC1 ZINC000069092559 521168062 /nfs/dbraw/zinc/16/80/62/521168062.db2.gz KHYFGCJGFCTQRT-KRWDZBQOSA-N 0 3 294.439 2.182 10 0 CEAEHN CCOC(=O)[C@](CN(C)CC(C)C)(NC(C)C)C1CC1 ZINC000069096668 521337762 /nfs/dbraw/zinc/33/77/62/521337762.db2.gz LVPHQOIPEHJOGN-MRXNPFEDSA-N 0 3 284.444 2.284 10 0 CEAEHN CCN(c1ccc(F)cc1CNCCOC)[C@@H](C)COC ZINC000062737890 521489529 /nfs/dbraw/zinc/48/95/29/521489529.db2.gz JBRDWJSPAMGRDK-ZDUSSCGKSA-N 0 3 298.402 2.423 10 0 CEAEHN CCN1C(=O)CC[C@@H](N)[C@H]1c1c(F)cccc1Cl ZINC000062211461 521519153 /nfs/dbraw/zinc/51/91/53/521519153.db2.gz LYGIIMOKTBUEQQ-MFKMUULPSA-N 0 3 270.735 2.490 10 0 CEAEHN CCCc1nc(N2CCC[C@H]2CN(C)C)sc1CO ZINC000061655631 521532281 /nfs/dbraw/zinc/53/22/81/521532281.db2.gz BIAVEGMPCCXPRV-NSHDSACASA-N 0 3 283.441 2.118 10 0 CEAEHN CCN1CCC[C@@H](Nc2cc3c(cc2N)NC(=O)CC3)C1 ZINC000049193213 521624973 /nfs/dbraw/zinc/62/49/73/521624973.db2.gz VBLHQMUVIWVLDJ-GFCCVEGCSA-N 0 3 288.395 2.050 10 0 CEAEHN CCCN(CCC)Cc1cccnc1C(N)=S ZINC000061659639 521648799 /nfs/dbraw/zinc/64/87/99/521648799.db2.gz SKZMSYIJLARFNX-UHFFFAOYSA-N 0 3 251.399 2.338 10 0 CEAEHN CCNC(=O)CCN1CCC[C@H](c2nc(CC)cs2)C1 ZINC000157035506 521735539 /nfs/dbraw/zinc/73/55/39/521735539.db2.gz SNNJNXMOGBOOAH-LBPRGKRZSA-N 0 3 295.452 2.411 10 0 CEAEHN CN(C)CCOc1nnc(Cl)c2ccccc21 ZINC000050528828 521805084 /nfs/dbraw/zinc/80/50/84/521805084.db2.gz UFYCDULLHDIXJP-UHFFFAOYSA-N 0 3 251.717 2.224 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2ccc(OC)c(OC)c2)c[nH]1 ZINC000052811158 521833614 /nfs/dbraw/zinc/83/36/14/521833614.db2.gz VCDWTDSEYKHTBA-LLVKDONJSA-N 0 3 291.351 2.130 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2ccc(C)s2)c[nH]1 ZINC000052811203 521834231 /nfs/dbraw/zinc/83/42/31/521834231.db2.gz QGIFXOZWGGDVOE-SECBINFHSA-N 0 3 251.355 2.483 10 0 CEAEHN CCc1ccccc1NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049630866 521911932 /nfs/dbraw/zinc/91/19/32/521911932.db2.gz FXNWBLHOGNRURK-CYBMUJFWSA-N 0 3 282.409 2.133 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000061316197 521941020 /nfs/dbraw/zinc/94/10/20/521941020.db2.gz FWSWTFQKZRGJRB-UHFFFAOYSA-N 0 3 258.325 2.013 10 0 CEAEHN CC[C@H](C)c1ccccc1OC[C@@](NC)(C(N)=O)C1CC1 ZINC000069197826 522048615 /nfs/dbraw/zinc/04/86/15/522048615.db2.gz LGXKYGVBVYHXNU-SJCJKPOMSA-N 0 3 290.407 2.432 10 0 CEAEHN CNCc1c(C)nc(Cc2ccccc2OC)nc1C ZINC000054854020 522099438 /nfs/dbraw/zinc/09/94/38/522099438.db2.gz MUYUUHKLUCCUKQ-UHFFFAOYSA-N 0 3 271.364 2.412 10 0 CEAEHN CNCc1c(C)nn(C)c1N1CC[C@H](c2ccccc2)C1 ZINC000050600352 522100900 /nfs/dbraw/zinc/10/09/00/522100900.db2.gz SMXQAOCBLXGEEH-HNNXBMFYSA-N 0 3 284.407 2.442 10 0 CEAEHN CNCc1c(C)nc(Cc2ccc(OC)cc2)nc1C ZINC000054854078 522101253 /nfs/dbraw/zinc/10/12/53/522101253.db2.gz BDTFAESIIZKBGO-UHFFFAOYSA-N 0 3 271.364 2.412 10 0 CEAEHN CNCc1cccc(OC)c1OCCc1cccnc1 ZINC000063221663 522132266 /nfs/dbraw/zinc/13/22/66/522132266.db2.gz XYKVXMXGVLQHLE-UHFFFAOYSA-N 0 3 272.348 2.431 10 0 CEAEHN CNCc1occc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573116 522162779 /nfs/dbraw/zinc/16/27/79/522162779.db2.gz BFHHEJSEGYQBLU-KBPBESRZSA-N 0 3 264.369 2.142 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000049559585 522227326 /nfs/dbraw/zinc/22/73/26/522227326.db2.gz HJHFEYAHAVFIIA-SECBINFHSA-N 0 3 267.398 2.349 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000052395618 522320433 /nfs/dbraw/zinc/32/04/33/522320433.db2.gz BLCNBGMWQSCQHG-IUCAKERBSA-N 0 3 285.185 2.234 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000052395842 522320504 /nfs/dbraw/zinc/32/05/04/522320504.db2.gz UVVHLXZQUQXDDK-NEPJUHHUSA-N 0 3 260.381 2.351 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CC(=O)N2C)[C@H]1CCCCO1 ZINC000050961627 522369001 /nfs/dbraw/zinc/36/90/01/522369001.db2.gz OAQDEJYYJKIYQY-ZBFHGGJFSA-N 0 3 274.364 2.035 10 0 CEAEHN CN[C@@](COc1cccc(C(C)(C)C)c1)(C(N)=O)C1CC1 ZINC000069198005 522430918 /nfs/dbraw/zinc/43/09/18/522430918.db2.gz SOTRPCMUOFCWJH-QGZVFWFLSA-N 0 3 290.407 2.216 10 0 CEAEHN CN[C@@](CSc1cccc(Cl)c1)(C(N)=O)C1CC1 ZINC000069189496 522433030 /nfs/dbraw/zinc/43/30/30/522433030.db2.gz CRGPXQUSEUGGTA-CYBMUJFWSA-N 0 3 284.812 2.286 10 0 CEAEHN CCc1nc2cc(NC(=O)C(C)(C)NC)ccc2o1 ZINC000061316793 522489243 /nfs/dbraw/zinc/48/92/43/522489243.db2.gz RVIFJFHUKGFCDU-UHFFFAOYSA-N 0 3 261.325 2.327 10 0 CEAEHN CCc1nc2ccccc2n1Cc1ccnc(C(=N)N)c1 ZINC000068762164 522504443 /nfs/dbraw/zinc/50/44/43/522504443.db2.gz MTCOFQRCTVSZMZ-UHFFFAOYSA-N 0 3 279.347 2.326 10 0 CEAEHN COc1cc(F)c([C@H](N)[C@H]2CCCCO2)cc1OC ZINC000061560337 522589842 /nfs/dbraw/zinc/58/98/42/522589842.db2.gz RKTGUYYMOSAZSE-RISCZKNCSA-N 0 3 269.316 2.412 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N1CCC[C@H]1CN(C)C ZINC000061656082 522601922 /nfs/dbraw/zinc/60/19/22/522601922.db2.gz BIVLALZFPWMAND-ZDUSSCGKSA-N 0 3 275.396 2.203 10 0 CEAEHN CNc1ccc(Cl)c(CN2CCN(C(C)C)CC2)n1 ZINC000061631274 522622877 /nfs/dbraw/zinc/62/28/77/522622877.db2.gz HKADUUHZHAVJIR-UHFFFAOYSA-N 0 3 282.819 2.303 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2ccc(F)cc2C)CCO1 ZINC000050578554 523302074 /nfs/dbraw/zinc/30/20/74/523302074.db2.gz QOWFRNLDPVJPAJ-ZFWWWQNUSA-N 0 3 266.360 2.245 10 0 CEAEHN CC[C@H]1CN(c2c(CNCC(C)C)c(C)nn2C)CCO1 ZINC000062735898 523302913 /nfs/dbraw/zinc/30/29/13/523302913.db2.gz LTHFDZRFEGRLMJ-AWEZNQCLSA-N 0 3 294.443 2.089 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2cc(F)c(F)c(F)c2)CCO1 ZINC000062710000 523303471 /nfs/dbraw/zinc/30/34/71/523303471.db2.gz DDIXAXDWRMOGMT-GWCFXTLKSA-N 0 3 288.313 2.215 10 0 CEAEHN CC[C@H]1CSC(N[C@@H](C)CN2CCCCC2)=N1 ZINC000049502343 523354612 /nfs/dbraw/zinc/35/46/12/523354612.db2.gz XFEKWZVCGAIXDA-RYUDHWBXSA-N 0 3 255.431 2.332 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(CNC)oc1C ZINC000052571209 523507149 /nfs/dbraw/zinc/50/71/49/523507149.db2.gz IQQGAXOVLCMUJI-SMDDNHRTSA-N 0 3 266.385 2.307 10 0 CEAEHN COCCN(C)Cc1ccoc1CNC(C)(C)C ZINC000052572963 523622262 /nfs/dbraw/zinc/62/22/62/523622262.db2.gz QZLAHZZDBXAHJI-UHFFFAOYSA-N 0 3 254.374 2.246 10 0 CEAEHN COCCN(CCOC)C[C@@H]1C[C@@H](C(C)C)CCC1=O ZINC000054559292 523715206 /nfs/dbraw/zinc/71/52/06/523715206.db2.gz ZAGRHOKCJWHGSV-GJZGRUSLSA-N 0 3 285.428 2.223 10 0 CEAEHN COCCNCc1cc(OC)ccc1OCC(F)(F)F ZINC000062727689 523950696 /nfs/dbraw/zinc/95/06/96/523950696.db2.gz XZIULIXURWXNBF-UHFFFAOYSA-N 0 3 293.285 2.372 10 0 CEAEHN COCCNCc1ccccc1N1C[C@H]2CC[C@@H]1C2 ZINC000062737455 523955831 /nfs/dbraw/zinc/95/58/31/523955831.db2.gz RUCLMKZGSGQBHX-DZGCQCFKSA-N 0 3 260.381 2.411 10 0 CEAEHN CC[C@H](C)N1CCN(c2nc(C)c([C@@H](C)N)s2)CC1 ZINC000055076287 523961619 /nfs/dbraw/zinc/96/16/19/523961619.db2.gz MBDSPEZIRRLFMA-WDEREUQCSA-N 0 3 282.457 2.392 10 0 CEAEHN CCc1ccc([C@H](C)N[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135937 524047253 /nfs/dbraw/zinc/04/72/53/524047253.db2.gz MUSYGNIFHNQGAN-SWLSCSKDSA-N 0 3 281.421 2.477 10 0 CEAEHN CNC(=O)[C@@H](CC(C)C)NCc1ccc(F)cc1C ZINC000050576383 524081022 /nfs/dbraw/zinc/08/10/22/524081022.db2.gz HYPDNSOUPVPLKD-CQSZACIVSA-N 0 3 266.360 2.384 10 0 CEAEHN C[C@H]1CCC[C@H](C)N1Cc1ccnc(C(N)=S)c1 ZINC000068751811 524189817 /nfs/dbraw/zinc/18/98/17/524189817.db2.gz DLEFGKRTPPAXCX-QWRGUYRKSA-N 0 3 263.410 2.479 10 0 CEAEHN Cc1cccc(C(=O)N[C@H](CC(C)C)CN(C)C)c1N ZINC000049550951 524212342 /nfs/dbraw/zinc/21/23/42/524212342.db2.gz KTYCSAODNDEGCS-CYBMUJFWSA-N 0 3 277.412 2.283 10 0 CEAEHN Cc1cc(C)c(C(=O)[O-])c(N[C@H](C)CC[NH+](C)C)n1 ZINC000049560489 524245223 /nfs/dbraw/zinc/24/52/23/524245223.db2.gz OTUCTODTWTYHLG-SNVBAGLBSA-N 0 3 265.357 2.149 10 0 CEAEHN C[C@H](CN1CCCC1)N[C@@H](c1ccco1)c1nccn1C ZINC000049150904 524320211 /nfs/dbraw/zinc/32/02/11/524320211.db2.gz DEDBYCSVBNGOMI-HIFRSBDPSA-N 0 3 288.395 2.176 10 0 CEAEHN C[C@H]1CC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C[C@@H]1C ZINC000068584390 524366561 /nfs/dbraw/zinc/36/65/61/524366561.db2.gz HJGKAPSRVGIPBJ-WMHQRMGPSA-N 0 3 274.408 2.497 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC1=NC(C)(C)CS1 ZINC000049502346 524605454 /nfs/dbraw/zinc/60/54/54/524605454.db2.gz RQQMFIWGOSEPEJ-NSHDSACASA-N 0 3 255.431 2.332 10 0 CEAEHN Cc1cc(C[C@H](CN)C(=O)N2CCCCC2)ccc1F ZINC000050544426 524836543 /nfs/dbraw/zinc/83/65/43/524836543.db2.gz LILFHOGYITVEEB-CQSZACIVSA-N 0 3 278.371 2.264 10 0 CEAEHN Cc1ccc(F)cc1C(=O)Nc1ccc(CN)cn1 ZINC000062664250 524847709 /nfs/dbraw/zinc/84/77/09/524847709.db2.gz HZADLBFGQPWMAE-UHFFFAOYSA-N 0 3 259.284 2.240 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)C[C@@H]2CCCO2)c1 ZINC000055234640 524885498 /nfs/dbraw/zinc/88/54/98/524885498.db2.gz UBAQSLMYHBINAJ-AAEUAGOBSA-N 0 3 251.326 2.273 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)Nc1ccccc1F ZINC000069133499 525101307 /nfs/dbraw/zinc/10/13/07/525101307.db2.gz FOCLJMWNULVWOM-AOOOYVTPSA-N 0 3 251.305 2.040 10 0 CEAEHN C[C@@H]1COCCN1c1nc(C(C)(C)C)c(CN)s1 ZINC000054997314 525130210 /nfs/dbraw/zinc/13/02/10/525130210.db2.gz MIGBMYVAEYNWNV-SECBINFHSA-N 0 3 269.414 2.124 10 0 CEAEHN C[C@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccn1 ZINC000156655096 525221114 /nfs/dbraw/zinc/22/11/14/525221114.db2.gz LHOAVMNJMZEAPB-NSHDSACASA-N 0 3 267.332 2.176 10 0 CEAEHN CS(=O)(=O)c1ccccc1NCc1ccccc1CN ZINC000061841454 525278681 /nfs/dbraw/zinc/27/86/81/525278681.db2.gz BNYPRCUNCRFHDG-UHFFFAOYSA-N 0 3 290.388 2.161 10 0 CEAEHN C[C@@H](NC(=O)c1ccc2c(c1)CNC2)c1cccnc1 ZINC000156654688 525335452 /nfs/dbraw/zinc/33/54/52/525335452.db2.gz JYVTXSWZSRECAC-LLVKDONJSA-N 0 3 267.332 2.176 10 0 CEAEHN Cc1cc(SCc2nc(NN)ccc2Cl)n(C)n1 ZINC000061640274 525438886 /nfs/dbraw/zinc/43/88/86/525438886.db2.gz GCIPPICEJKJSMN-UHFFFAOYSA-N 0 3 283.788 2.355 10 0 CEAEHN Cc1cc([C@@H]2[C@H](N)CCCC(=O)N2C)c(C)s1 ZINC000070292339 525499301 /nfs/dbraw/zinc/49/93/01/525499301.db2.gz HVUYXZLHKXNSJR-DGCLKSJQSA-N 0 3 252.383 2.376 10 0 CEAEHN C[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O ZINC000056194653 525529644 /nfs/dbraw/zinc/52/96/44/525529644.db2.gz KLBPIOAAHGOGMO-QWRGUYRKSA-N 0 3 291.395 2.218 10 0 CEAEHN Cc1cccnc1NC(=O)[C@@H](CN)c1ccccc1 ZINC000061611009 525540817 /nfs/dbraw/zinc/54/08/17/525540817.db2.gz LCZQAQFRDZYVSS-ZDUSSCGKSA-N 0 3 255.321 2.071 10 0 CEAEHN CSC[C@@H](C)CNC1CN(C(=O)OC(C)(C)C)C1 ZINC000069435659 525621970 /nfs/dbraw/zinc/62/19/70/525621970.db2.gz UQPZWZFIWHAUQE-JTQLQIEISA-N 0 3 274.430 2.194 10 0 CEAEHN Cc1cnc(CN[C@@H]2CCc3ccccc3C2)cn1 ZINC000061320608 526045530 /nfs/dbraw/zinc/04/55/30/526045530.db2.gz XGIBOGNTLNTWLA-OAHLLOKOSA-N 0 3 253.349 2.432 10 0 CEAEHN Cc1cnc(Cn2c(N)nc3ccc(F)c(F)c32)cn1 ZINC000061322040 526064535 /nfs/dbraw/zinc/06/45/35/526064535.db2.gz OELMEXKXKWMECO-UHFFFAOYSA-N 0 3 275.262 2.043 10 0 CEAEHN O=C([O-])[C@H](CCN1CC[C@@H](c2ccccc2)C1)[NH2+]C1CC1 ZINC000062530966 526301285 /nfs/dbraw/zinc/30/12/85/526301285.db2.gz LIYAFRIQNZBETK-ZBFHGGJFSA-N 0 3 288.391 2.071 10 0 CEAEHN O=C([O-])[C@H](CC[N@@H+]1CC[C@@H](c2ccccc2)C1)NC1CC1 ZINC000062530966 526301288 /nfs/dbraw/zinc/30/12/88/526301288.db2.gz LIYAFRIQNZBETK-ZBFHGGJFSA-N 0 3 288.391 2.071 10 0 CEAEHN O=C([O-])[C@H](CC[N@H+]1CC[C@@H](c2ccccc2)C1)NC1CC1 ZINC000062530966 526301296 /nfs/dbraw/zinc/30/12/96/526301296.db2.gz LIYAFRIQNZBETK-ZBFHGGJFSA-N 0 3 288.391 2.071 10 0 CEAEHN Cc1nn([C@@H]2CCCC[C@@H]2O)c(C)c1CNC1CC1 ZINC000054599993 526302847 /nfs/dbraw/zinc/30/28/47/526302847.db2.gz SFAZYBFQDHUMTE-CABCVRRESA-N 0 3 263.385 2.228 10 0 CEAEHN Fc1ccc(Cc2ncc(CNC3CC3)cn2)cc1 ZINC000054856175 526344562 /nfs/dbraw/zinc/34/45/62/526344562.db2.gz RLLOKIWKOBKXKN-UHFFFAOYSA-N 0 3 257.312 2.459 10 0 CEAEHN Cc1nnc(N2Cc3ccccc3C2)c(CN)c1C ZINC000050909722 526362163 /nfs/dbraw/zinc/36/21/63/526362163.db2.gz RMCZEHDORRWFDC-UHFFFAOYSA-N 0 3 254.337 2.072 10 0 CEAEHN c1cncc(O[C@H]2CCN(CCN3CCCCC3)C2)c1 ZINC000152216038 526547528 /nfs/dbraw/zinc/54/75/28/526547528.db2.gz QXUWBPPYDDBNFT-INIZCTEOSA-N 0 3 275.396 2.021 10 0 CEAEHN Cc1oc(CNC(C)C)cc1CN1CCOC[C@H]1C ZINC000052476088 526774414 /nfs/dbraw/zinc/77/44/14/526774414.db2.gz OFMVHVJNLVPGCR-GFCCVEGCSA-N 0 3 266.385 2.307 10 0 CEAEHN NC(=O)CCNC1c2ccccc2Cc2ccccc21 ZINC000061669838 526872087 /nfs/dbraw/zinc/87/20/87/526872087.db2.gz QUGFAIWTQQASDD-UHFFFAOYSA-N 0 3 266.344 2.145 10 0 CEAEHN Cc1ncc(CN[C@H](C)c2ccc3c(c2)OCCO3)[nH]1 ZINC000054821960 526893542 /nfs/dbraw/zinc/89/35/42/526893542.db2.gz QQDNQWSTHDDVAD-SNVBAGLBSA-N 0 3 273.336 2.340 10 0 CEAEHN Cc1nc(CN[C@H](CC(C)C)CN(C)C)oc1C ZINC000049555506 526893917 /nfs/dbraw/zinc/89/39/17/526893917.db2.gz MZIDNDLQGQPNAD-CYBMUJFWSA-N 0 3 253.390 2.357 10 0 CEAEHN Cc1ncc(CNc2cccnc2-n2ccnc2C)[nH]1 ZINC000054822305 526900720 /nfs/dbraw/zinc/90/07/20/526900720.db2.gz XIDULXQHMGZSGC-UHFFFAOYSA-N 0 3 268.324 2.219 10 0 CEAEHN NC(=S)c1c(Cl)cccc1N[C@H]1CN2CCC1CC2 ZINC000052904108 527113152 /nfs/dbraw/zinc/11/31/52/527113152.db2.gz VECCBBUOLKLPFJ-LBPRGKRZSA-N 0 3 295.839 2.480 10 0 CEAEHN NC[C@H](C(=O)NC[C@H]1CC=CCC1)c1ccccc1 ZINC000061613185 527223484 /nfs/dbraw/zinc/22/34/84/527223484.db2.gz XWQNXPHLWODXLY-ZFWWWQNUSA-N 0 3 258.365 2.201 10 0 CEAEHN O=C(Cc1ccc(F)cc1)CN1CC[C@@H](N2CCCC2)C1 ZINC000062981607 527228754 /nfs/dbraw/zinc/22/87/54/527228754.db2.gz ZKIOKGMBHAYXKY-MRXNPFEDSA-N 0 3 290.382 2.107 10 0 CEAEHN NCc1ccc(Cl)cc1N1CCC(CO)CC1 ZINC000062786766 527253863 /nfs/dbraw/zinc/25/38/63/527253863.db2.gz DEWHTXLWEZZXRL-UHFFFAOYSA-N 0 3 254.761 2.007 10 0 CEAEHN NCc1cccc(NC(=O)Cn2ncc3ccccc32)c1 ZINC000050524540 527258616 /nfs/dbraw/zinc/25/86/16/527258616.db2.gz AFZREHOVMVPVDD-UHFFFAOYSA-N 0 3 280.331 2.134 10 0 CEAEHN Cc1ncc(CNC[C@H]2CNc3ccccc3O2)s1 ZINC000049538901 527272681 /nfs/dbraw/zinc/27/26/81/527272681.db2.gz ZUUFFKNZESQBTG-NSHDSACASA-N 0 3 275.377 2.414 10 0 CEAEHN O=C(Nc1cccnc1Cl)N1CCN2CCC[C@H]2C1 ZINC000049444086 527446669 /nfs/dbraw/zinc/44/66/69/527446669.db2.gz IZFUNTTUPKOIMC-JTQLQIEISA-N 0 3 280.759 2.047 10 0 CEAEHN Cn1ccnc1NC1CCN(Cc2ccccc2)CC1 ZINC000050605678 527448585 /nfs/dbraw/zinc/44/85/85/527448585.db2.gz DFICISLGUWQCJB-UHFFFAOYSA-N 0 3 270.380 2.497 10 0 CEAEHN OC[C@@H](NC[C@@H]1CCCO1)c1cccc2cccnc21 ZINC000069504726 527581484 /nfs/dbraw/zinc/58/14/84/527581484.db2.gz WFQURJXNJXWUQF-DZGCQCFKSA-N 0 3 272.348 2.037 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c(CNCC(C)C)n1 ZINC000069236582 527601511 /nfs/dbraw/zinc/60/15/11/527601511.db2.gz ASVGJZHYXSDHFJ-UHFFFAOYSA-N 0 3 261.373 2.173 10 0 CEAEHN O=C([O-])[C@@H](c1csc2ccccc21)[N@@H+]1CCCNCC1 ZINC000054465275 527656924 /nfs/dbraw/zinc/65/69/24/527656924.db2.gz CSVRYDFRGYXEJB-CQSZACIVSA-N 0 3 290.388 2.322 10 0 CEAEHN O=C([O-])[C@@H](c1csc2ccccc21)[N@H+]1CCCNCC1 ZINC000054465275 527656929 /nfs/dbraw/zinc/65/69/29/527656929.db2.gz CSVRYDFRGYXEJB-CQSZACIVSA-N 0 3 290.388 2.322 10 0 CEAEHN CC[C@H]1CN(Cc2sc(C)nc2C)CCN1C[C@@H](C)O ZINC000172791207 529299319 /nfs/dbraw/zinc/29/93/19/529299319.db2.gz HTTZCEJBZSYIHG-RISCZKNCSA-N 0 3 297.468 2.037 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ncnc3cc(N)ccc32)CC1 ZINC000087821125 535566966 /nfs/dbraw/zinc/56/69/66/535566966.db2.gz QGKIJCXCWVXOQL-GFCCVEGCSA-N 0 3 285.395 2.133 10 0 CEAEHN CN[C@H]1CCCN(c2c3nsnc3ccc2Cl)C1=O ZINC000088128066 536414906 /nfs/dbraw/zinc/41/49/06/536414906.db2.gz JSSUWYGUNRAEOD-VIFPVBQESA-N 0 3 296.783 2.060 10 0 CEAEHN COc1ccc(Br)c(N2CCNC[C@H]2C)c1 ZINC000083869886 536629935 /nfs/dbraw/zinc/62/99/35/536629935.db2.gz UEWNUXPVFJXDIM-SECBINFHSA-N 0 3 285.185 2.256 10 0 CEAEHN COC(=O)[C@H](C)[C@@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000093036262 536642813 /nfs/dbraw/zinc/64/28/13/536642813.db2.gz LDMKKGXILAFFBU-HUUCEWRRSA-N 0 3 290.407 2.315 10 0 CEAEHN CC(C)[C@@H]1O[C@@]2(CN3CCC2CC3)NCC1(C)C ZINC000757143233 574510320 /nfs/dbraw/zinc/51/03/20/574510320.db2.gz MKWJVAXFVNOIMF-DZGCQCFKSA-N 0 3 252.402 2.079 10 0 CEAEHN CC1(C)CN[C@@]2(CCCSC2)O[C@@]12CCCOC2 ZINC000757147227 574510483 /nfs/dbraw/zinc/51/04/83/574510483.db2.gz SBIHPUJWQGFMDH-KGLIPLIRSA-N 0 3 271.426 2.405 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)C[C@@H](N)CC(C)(C)C)C1 ZINC000757152073 574510843 /nfs/dbraw/zinc/51/08/43/574510843.db2.gz SDAUWVPJNYEZQG-UPJWGTAASA-N 0 3 290.473 2.058 10 0 CEAEHN COC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757133075 622809231 /nfs/dbraw/zinc/80/92/31/622809231.db2.gz FWFRALXOLAKQDX-NSHDSACASA-N 0 3 295.383 2.317 10 0 CEAEHN C[C@H](NC[C@@H]1CNC(=O)O1)c1ccc(Cl)s1 ZINC000309504854 624980698 /nfs/dbraw/zinc/98/06/98/624980698.db2.gz BQZFATQYDPKNTB-NKWVEPMBSA-N 0 3 260.746 2.161 10 0 CEAEHN COc1cc2c(c(Br)c1)O[C@H](C)[C@H]2N ZINC000163000229 627340612 /nfs/dbraw/zinc/34/06/12/627340612.db2.gz ZGOPPMBOSDZATQ-MLUIRONXSA-N 0 3 258.115 2.238 10 0 CEAEHN COc1ccc(OCCN2CCC[C@H](C(C)=O)C2)cc1 ZINC000113652231 627994205 /nfs/dbraw/zinc/99/42/05/627994205.db2.gz MEYQLJJDDCVWBO-AWEZNQCLSA-N 0 3 277.364 2.375 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000236912922 628934813 /nfs/dbraw/zinc/93/48/13/628934813.db2.gz PFBYIVCJJAIVES-UONOGXRCSA-N 0 3 264.344 2.447 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000236870006 628954193 /nfs/dbraw/zinc/95/41/93/628954193.db2.gz KPIOWWZTVPFTJA-NWDGAFQWSA-N 0 3 292.404 2.178 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000236914159 629124479 /nfs/dbraw/zinc/12/44/79/629124479.db2.gz FQQXNKLVDWPQIL-LKFCYVNXSA-N 0 3 274.320 2.105 10 0 CEAEHN CCC[C@@H](N)C(=O)NC[C@@H](O)c1cc2ccccc2s1 ZINC000236955771 629131847 /nfs/dbraw/zinc/13/18/47/629131847.db2.gz KPIOWWZTVPFTJA-VXGBXAGGSA-N 0 3 292.404 2.178 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc(C(C)(C)O)cc1)N(C)C ZINC000184701052 641894628 /nfs/dbraw/zinc/89/46/28/641894628.db2.gz CJMRPUIRMHRGND-OAHLLOKOSA-N 0 3 292.423 2.261 10 0 CEAEHN NC[C@@H](O[C@@H]1CCOC1)c1cccc(Br)c1 ZINC000082452966 178031535 /nfs/dbraw/zinc/03/15/35/178031535.db2.gz PFEGYZCNJXLPCS-VXGBXAGGSA-N 0 3 286.169 2.254 10 0 CEAEHN CCOC(=O)CC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000095762263 185026631 /nfs/dbraw/zinc/02/66/31/185026631.db2.gz UIYFLRDSAPSZSD-UHFFFAOYSA-N 0 3 289.375 2.421 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000121254434 365541968 /nfs/dbraw/zinc/54/19/68/365541968.db2.gz QBNXRGXOXDTVHZ-JTQLQIEISA-N 0 3 270.735 2.255 10 0 CEAEHN NCc1ccccc1Nc1ncc(Br)cn1 ZINC000082663573 178152118 /nfs/dbraw/zinc/15/21/18/178152118.db2.gz FUQVYGQNNHBEDL-UHFFFAOYSA-N 0 3 279.141 2.441 10 0 CEAEHN CC(C)C[C@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939147 361799193 /nfs/dbraw/zinc/79/91/93/361799193.db2.gz VUGBMIFXEOZYHK-VIFPVBQESA-N 0 3 261.325 2.380 10 0 CEAEHN N[C@H]1CCCc2sc(N3CCSCC3)nc21 ZINC000083117390 178338416 /nfs/dbraw/zinc/33/84/16/178338416.db2.gz LGBUQHSFFMYKMZ-QMMMGPOBSA-N 0 3 255.412 2.032 10 0 CEAEHN COc1cc(CC[NH2+]C2CC2)cc(Br)c1[O-] ZINC000082954889 178330203 /nfs/dbraw/zinc/33/02/03/178330203.db2.gz AVPLUPLUNGCFMN-UHFFFAOYSA-N 0 3 286.169 2.458 10 0 CEAEHN c1ccc(CN2CCCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000096949587 185138634 /nfs/dbraw/zinc/13/86/34/185138634.db2.gz MDTCHOXJZCOIBF-HOTGVXAUSA-N 0 3 260.381 2.030 10 0 CEAEHN Cc1cc(CN2CCN3CCCC[C@@H]3C2)sn1 ZINC000404492856 539203814 /nfs/dbraw/zinc/20/38/14/539203814.db2.gz CPORFOCUEONDJL-GFCCVEGCSA-N 0 3 251.399 2.122 10 0 CEAEHN CC(C)N(c1cccc(CN)c1)S(=O)(=O)C(C)C ZINC000725269760 539215036 /nfs/dbraw/zinc/21/50/36/539215036.db2.gz YFYZFWZAUOGGOH-UHFFFAOYSA-N 0 3 270.398 2.098 10 0 CEAEHN OC[C@H]1CCCC[C@@H]1NCc1ccncc1Cl ZINC000231041994 539227812 /nfs/dbraw/zinc/22/78/12/539227812.db2.gz OXDDSECIMSRMMV-YPMHNXCESA-N 0 3 254.761 2.376 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000041663358 362046050 /nfs/dbraw/zinc/04/60/50/362046050.db2.gz ABVWMMYAJKVPIH-HNNXBMFYSA-N 0 3 289.379 2.495 10 0 CEAEHN C[C@@H](NCCN[C@H](C)c1ccccn1)c1ccccn1 ZINC000022035243 343378790 /nfs/dbraw/zinc/37/87/90/343378790.db2.gz JPAOPUWOGMRBHW-ZIAGYGMSSA-N 0 3 270.380 2.478 10 0 CEAEHN CCN1CCC[C@@H](NCc2cccc(OC)c2F)C1 ZINC000192672417 539328712 /nfs/dbraw/zinc/32/87/12/539328712.db2.gz SUTVGHGRVUAOJW-CYBMUJFWSA-N 0 3 266.360 2.408 10 0 CEAEHN CCC1(O)CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000075859573 343869947 /nfs/dbraw/zinc/86/99/47/343869947.db2.gz PEFGSGFIGVSSAG-OAHLLOKOSA-N 0 3 263.381 2.131 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCN(C)C2)o1 ZINC000108542610 344265868 /nfs/dbraw/zinc/26/58/68/344265868.db2.gz YZJWVBHWHQFCMJ-QWHCGFSZSA-N 0 3 279.384 2.290 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1cc(C(=O)OC)cs1 ZINC000602471636 347046827 /nfs/dbraw/zinc/04/68/27/347046827.db2.gz BZFPMAWAZWBCFC-CYBMUJFWSA-N 0 3 296.436 2.451 10 0 CEAEHN CC(C)COc1ccccc1NC(=O)C1(N)CCOCC1 ZINC000132152207 344362061 /nfs/dbraw/zinc/36/20/61/344362061.db2.gz SKPFNEMPDPTHOD-UHFFFAOYSA-N 0 3 292.379 2.168 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000134567628 344375375 /nfs/dbraw/zinc/37/53/75/344375375.db2.gz DYFXEHBOCRNWGV-WCQYABFASA-N 0 3 284.350 2.336 10 0 CEAEHN C[C@H]1CS[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000159144086 344453948 /nfs/dbraw/zinc/45/39/48/344453948.db2.gz XIQIMXQZEIXMSI-GXFFZTMASA-N 0 3 272.414 2.439 10 0 CEAEHN Nc1ccnc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000227991549 344558195 /nfs/dbraw/zinc/55/81/95/344558195.db2.gz FCHKAXFNCHQLQM-AWEZNQCLSA-N 0 3 283.379 2.135 10 0 CEAEHN O[C@@H](CNC[C@@H]1CCC2(CCCCC2)O1)C(F)(F)F ZINC000236536582 344596021 /nfs/dbraw/zinc/59/60/21/344596021.db2.gz ZWCJUVDJKXKNSA-QWRGUYRKSA-N 0 3 281.318 2.381 10 0 CEAEHN C[C@@H]1CCC[C@@H](CNC(=O)[C@]2(C)CCCCN2)C1 ZINC000261572495 344653112 /nfs/dbraw/zinc/65/31/12/344653112.db2.gz LQJPWZZJVWPVOS-NFAWXSAZSA-N 0 3 252.402 2.461 10 0 CEAEHN Cc1c(N)ncnc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000307024359 344719600 /nfs/dbraw/zinc/71/96/00/344719600.db2.gz IMOJNQLFCJVQFJ-AWEZNQCLSA-N 0 3 283.379 2.054 10 0 CEAEHN C[C@@H]1CNC2(CCN(C(=O)OC(C)(C)C)CC2)S1 ZINC000300857384 344702052 /nfs/dbraw/zinc/70/20/52/344702052.db2.gz OQFFTQIBDBSGHZ-SNVBAGLBSA-N 0 3 272.414 2.439 10 0 CEAEHN C[C@H]1[C@H](Nc2cnc(N)cn2)CCN1Cc1ccccc1 ZINC000306605911 344715578 /nfs/dbraw/zinc/71/55/78/344715578.db2.gz QMJJPIHEZCIAHI-GXTWGEPZSA-N 0 3 283.379 2.134 10 0 CEAEHN COC(=O)[C@@H]1CCCCN1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403071879 344874278 /nfs/dbraw/zinc/87/42/78/344874278.db2.gz GNDDCULLRNKDEF-RQJABVFESA-N 0 3 251.370 2.450 10 0 CEAEHN Fc1ccc(Cl)cc1CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404246154 344878760 /nfs/dbraw/zinc/87/87/60/344878760.db2.gz GAZTZDVUHCDBQV-KGLIPLIRSA-N 0 3 284.762 2.042 10 0 CEAEHN Fc1cc(CN2CC[C@@H]3OCCN[C@H]3C2)ccc1Cl ZINC000404288395 344879193 /nfs/dbraw/zinc/87/91/93/344879193.db2.gz YVDPYVQXRKBVQL-KBPBESRZSA-N 0 3 284.762 2.042 10 0 CEAEHN N[C@@H](C[S@](=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000084030210 178773115 /nfs/dbraw/zinc/77/31/15/178773115.db2.gz FLEHHFPAJMBBBR-APBUJDDRSA-N 0 3 295.385 2.284 10 0 CEAEHN CCCC[S@@](=O)C[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000084039173 178776231 /nfs/dbraw/zinc/77/62/31/178776231.db2.gz MRCMPPNTAGJFHQ-RBZFPXEDSA-N 0 3 297.420 2.267 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000054074986 362510419 /nfs/dbraw/zinc/51/04/19/362510419.db2.gz YHFTVVHEYHPWNQ-NXEZZACHSA-N 0 3 254.761 2.467 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000054075720 362510555 /nfs/dbraw/zinc/51/05/55/362510555.db2.gz OCLMAMNSFPFYHD-NXEZZACHSA-N 0 3 254.761 2.467 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000054076353 362510769 /nfs/dbraw/zinc/51/07/69/362510769.db2.gz BUOJEEGUIXRWIX-LLVKDONJSA-N 0 3 277.368 2.218 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2ccccc2OC)C1 ZINC000149237164 539486276 /nfs/dbraw/zinc/48/62/76/539486276.db2.gz BDJJHWHYZUXXEF-UONOGXRCSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@@H](COCC)c1cc(C)nnc1CC ZINC000097303724 185580709 /nfs/dbraw/zinc/58/07/09/185580709.db2.gz LESCIBKYAVLKDJ-AWEZNQCLSA-N 0 3 251.374 2.425 10 0 CEAEHN CCn1nc(C[C@H](N)c2cnn(C)c2C)c2ccccc21 ZINC000097277260 185576768 /nfs/dbraw/zinc/57/67/68/185576768.db2.gz FIVIYEDBQUXRGD-AWEZNQCLSA-N 0 3 283.379 2.341 10 0 CEAEHN Cn1nccc1[C@@H](N)Cc1nc(C(C)(C)C)cs1 ZINC000097315098 185584459 /nfs/dbraw/zinc/58/44/59/185584459.db2.gz TWXHDYDATBYVRK-VIFPVBQESA-N 0 3 264.398 2.417 10 0 CEAEHN CCN[C@H](Cc1nc(C)cs1)c1cc(C)nn1C ZINC000097342076 185587359 /nfs/dbraw/zinc/58/73/59/185587359.db2.gz IZYVMPWLUMDVAM-LLVKDONJSA-N 0 3 264.398 2.387 10 0 CEAEHN COc1cccc(C[C@@H](NN)C2(N(C)C)CCCC2)c1F ZINC000097587855 185634035 /nfs/dbraw/zinc/63/40/35/185634035.db2.gz QEAKKORIKXWBDE-CQSZACIVSA-N 0 3 295.402 2.083 10 0 CEAEHN CCN[C@](CO)(COC1CCCC1)c1ccccc1 ZINC000085282735 179000283 /nfs/dbraw/zinc/00/02/83/179000283.db2.gz LUDWJWCQQCUGRE-MRXNPFEDSA-N 0 3 263.381 2.443 10 0 CEAEHN OC[C@@H](COc1ccccc1C(F)(F)F)NC1CC1 ZINC000085282976 179001116 /nfs/dbraw/zinc/00/11/16/179001116.db2.gz DYLCXMZHHBFTFJ-JTQLQIEISA-N 0 3 275.270 2.197 10 0 CEAEHN C[C@](CO)(CSc1ccc(F)cc1)NC1CC1 ZINC000085291618 179007293 /nfs/dbraw/zinc/00/72/93/179007293.db2.gz GGRYXAWDJLRMPL-ZDUSSCGKSA-N 0 3 255.358 2.421 10 0 CEAEHN CC(=O)NCCN[C@@H](C)c1cnc2ccsc2c1 ZINC000085433268 179060383 /nfs/dbraw/zinc/06/03/83/179060383.db2.gz UQJJWEAZLFLVNI-VIFPVBQESA-N 0 3 263.366 2.083 10 0 CEAEHN CC1(C)CN[C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085507510 179085824 /nfs/dbraw/zinc/08/58/24/179085824.db2.gz SPFWUGLTCWNOER-HNNXBMFYSA-N 0 3 282.391 2.402 10 0 CEAEHN CC[C@H]1CN[C@H](c2ccccc2)CN1Cc1cnn(C)c1 ZINC000085505597 179084589 /nfs/dbraw/zinc/08/45/89/179084589.db2.gz GJOKGJCBYLONQU-IRXDYDNUSA-N 0 3 284.407 2.345 10 0 CEAEHN C[C@@H]1CN[C@H](c2ccccc2)CN1CCCn1ccnc1 ZINC000085504275 179084695 /nfs/dbraw/zinc/08/46/95/179084695.db2.gz FCCLBVGNOXKQSH-WBVHZDCISA-N 0 3 284.407 2.308 10 0 CEAEHN NCc1cncc(Oc2ccccc2Br)n1 ZINC000085695076 179116237 /nfs/dbraw/zinc/11/62/37/179116237.db2.gz IXPYHWXRCYFTPP-UHFFFAOYSA-N 0 3 280.125 2.490 10 0 CEAEHN COC(CNCc1ccc(Br)c(C)c1)OC ZINC000085706760 179121699 /nfs/dbraw/zinc/12/16/99/179121699.db2.gz QQRZZQYJPXUXER-UHFFFAOYSA-N 0 3 288.185 2.466 10 0 CEAEHN O[C@@H](Cc1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000085752776 179144313 /nfs/dbraw/zinc/14/43/13/179144313.db2.gz XNXFGBGPLRDHFC-INIZCTEOSA-N 0 3 275.392 2.235 10 0 CEAEHN [NH3+]Cc1ccccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000085810622 179177299 /nfs/dbraw/zinc/17/72/99/179177299.db2.gz UFDSLNADMNMICQ-UHFFFAOYSA-N 0 3 290.388 2.130 10 0 CEAEHN COc1cccc(CN2CCC[C@@H](c3nncn3C)C2)c1 ZINC000065287764 362808235 /nfs/dbraw/zinc/80/82/35/362808235.db2.gz QMNUANUTXVVUDP-CQSZACIVSA-N 0 3 286.379 2.203 10 0 CEAEHN CCN[C@H](CCO)C[S@@](=O)c1ccc(C(C)(C)C)cc1 ZINC000085927568 179201937 /nfs/dbraw/zinc/20/19/37/179201937.db2.gz XJGPHBSJZNFQJD-VLIAUNLRSA-N 0 3 297.464 2.452 10 0 CEAEHN CN(C)Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085982787 179209842 /nfs/dbraw/zinc/20/98/42/179209842.db2.gz YXPAQRUNYIJLLK-HOTGVXAUSA-N 0 3 290.407 2.029 10 0 CEAEHN C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000086082069 179228358 /nfs/dbraw/zinc/22/83/58/179228358.db2.gz CJOHPGHSPWGAKR-RNSXUZJQSA-N 0 3 282.775 2.185 10 0 CEAEHN CC[C@H]1CN[C@H](c2ccccc2)CN1Cc1nccn1C ZINC000086264842 179260936 /nfs/dbraw/zinc/26/09/36/179260936.db2.gz DKCDAJMDKZQBFE-HOTGVXAUSA-N 0 3 284.407 2.345 10 0 CEAEHN CN1CCN(c2nc3c(s2)CCC[C@@H]3N)CC1(C)C ZINC000086444164 179293468 /nfs/dbraw/zinc/29/34/68/179293468.db2.gz SFQVKIJHQHTXOG-JTQLQIEISA-N 0 3 280.441 2.010 10 0 CEAEHN CN[C@@H]1CCCc2sc(N3CCSCC3)nc21 ZINC000086442377 179294010 /nfs/dbraw/zinc/29/40/10/179294010.db2.gz KSJMPISIMAOAOL-SECBINFHSA-N 0 3 269.439 2.293 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)[C@H](CC)CN1 ZINC000086446313 179294526 /nfs/dbraw/zinc/29/45/26/179294526.db2.gz XWWIRKGPNZOBBR-VXGBXAGGSA-N 0 3 286.379 2.166 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccsc2)[C@@H](CC)CN1 ZINC000086448212 179295362 /nfs/dbraw/zinc/29/53/62/179295362.db2.gz WRFZKKXPBJERCS-OLZOCXBDSA-N 0 3 266.410 2.280 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H](CC)CN1 ZINC000086447296 179295500 /nfs/dbraw/zinc/29/55/00/179295500.db2.gz DLYRDPVVYBKVBX-STQMWFEESA-N 0 3 290.363 2.018 10 0 CEAEHN Cn1nc(CNC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000086485856 179301833 /nfs/dbraw/zinc/30/18/33/179301833.db2.gz KDRWCCQDFBKCRX-LRDDRELGSA-N 0 3 273.380 2.214 10 0 CEAEHN CSc1cc2c(cc1CNC1CCOCC1)OCCO2 ZINC000086506348 179303139 /nfs/dbraw/zinc/30/31/39/179303139.db2.gz CTACABTWHMLXQF-UHFFFAOYSA-N 0 3 295.404 2.448 10 0 CEAEHN COC(OC)[C@@H](N)Cc1cc(F)ccc1Br ZINC000086451663 179296288 /nfs/dbraw/zinc/29/62/88/179296288.db2.gz ONBYPPDOZSLNLO-JTQLQIEISA-N 0 3 292.148 2.077 10 0 CEAEHN COc1ccc([C@H](CN)N2CCSCC2)cc1Cl ZINC000086586395 179310037 /nfs/dbraw/zinc/31/00/37/179310037.db2.gz NEUIBLKONABOGK-LBPRGKRZSA-N 0 3 286.828 2.397 10 0 CEAEHN Cc1cccc(CCN[C@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086675837 179319458 /nfs/dbraw/zinc/31/94/58/179319458.db2.gz DGHKEQNESBOHND-GJZGRUSLSA-N 0 3 281.421 2.093 10 0 CEAEHN CC[C@H](C)[C@@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776191 179327765 /nfs/dbraw/zinc/32/77/65/179327765.db2.gz CQJLTHNLAPYDFA-GZBFAFLISA-N 0 3 282.428 2.434 10 0 CEAEHN CC[C@H](C)[C@@H](C)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776191 179327768 /nfs/dbraw/zinc/32/77/68/179327768.db2.gz CQJLTHNLAPYDFA-GZBFAFLISA-N 0 3 282.428 2.434 10 0 CEAEHN CN(Cc1cnc(Cl)s1)[C@@H]1CCCN(C)C1 ZINC000086776821 179328710 /nfs/dbraw/zinc/32/87/10/179328710.db2.gz QZOIMPHLHFTRRR-SECBINFHSA-N 0 3 259.806 2.323 10 0 CEAEHN COC(=O)[C@@]1(NC2CCCC2)CCCN(C(C)C)CC1 ZINC000086850373 179357861 /nfs/dbraw/zinc/35/78/61/179357861.db2.gz DTHGORVQKDLMQT-MRXNPFEDSA-N 0 3 282.428 2.325 10 0 CEAEHN C[N@@H+]1CCC[C@H](N2CCc3sccc3[C@@H]2C(=O)[O-])CC1 ZINC000086834619 179350125 /nfs/dbraw/zinc/35/01/25/179350125.db2.gz BXHUZYBBLQOXIU-SMDDNHRTSA-N 0 3 294.420 2.216 10 0 CEAEHN C[N@H+]1CCC[C@H](N2CCc3sccc3[C@@H]2C(=O)[O-])CC1 ZINC000086834619 179350127 /nfs/dbraw/zinc/35/01/27/179350127.db2.gz BXHUZYBBLQOXIU-SMDDNHRTSA-N 0 3 294.420 2.216 10 0 CEAEHN CCOC(=O)[C@@]1(NC2CCCCC2)CCCN(C)CC1 ZINC000086833409 179350195 /nfs/dbraw/zinc/35/01/95/179350195.db2.gz QQGKZEBRWGFQQF-MRXNPFEDSA-N 0 3 282.428 2.326 10 0 CEAEHN CN1CCC[C@](N)(c2nc3c(s2)CCCC3)CC1 ZINC000086833630 179350549 /nfs/dbraw/zinc/35/05/49/179350549.db2.gz SGKSHNLITINQCR-CQSZACIVSA-N 0 3 265.426 2.292 10 0 CEAEHN CC[C@@H](C(=O)[O-])[N@H+](C)[C@@H]1CCCN(C(C)C)CC1 ZINC000086869232 179362077 /nfs/dbraw/zinc/36/20/77/179362077.db2.gz FSTKRJSZPVPFPA-OLZOCXBDSA-N 0 3 256.390 2.044 10 0 CEAEHN CC[C@@H](C(=O)[O-])[N@@H+](C)[C@@H]1CCCN(C(C)C)CC1 ZINC000086869232 179362079 /nfs/dbraw/zinc/36/20/79/179362079.db2.gz FSTKRJSZPVPFPA-OLZOCXBDSA-N 0 3 256.390 2.044 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868591 179363005 /nfs/dbraw/zinc/36/30/05/179363005.db2.gz WSEZIYFVMMEBDH-KBPBESRZSA-N 0 3 268.401 2.048 10 0 CEAEHN CCCN1CCC[C@H]([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086868591 179363007 /nfs/dbraw/zinc/36/30/07/179363007.db2.gz WSEZIYFVMMEBDH-KBPBESRZSA-N 0 3 268.401 2.048 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1ccc(F)c(F)c1 ZINC000086978595 179372670 /nfs/dbraw/zinc/37/26/70/179372670.db2.gz WALIIKGHFCYDDF-GFCCVEGCSA-N 0 3 277.336 2.180 10 0 CEAEHN CCCN[C@@H](CCCS(=O)(=O)CC)c1ccccn1 ZINC000086978744 179372797 /nfs/dbraw/zinc/37/27/97/179372797.db2.gz UGEVATAAZVRVOD-AWEZNQCLSA-N 0 3 284.425 2.337 10 0 CEAEHN CC[C@H]1CCC[C@](NCCN(C)C)(C(=O)OC)CC1 ZINC000086915918 179367158 /nfs/dbraw/zinc/36/71/58/179367158.db2.gz SIGNFZZXIDGTPK-DZGCQCFKSA-N 0 3 270.417 2.040 10 0 CEAEHN CC(C)[C@@H]1CCC[C@@](NC[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000086949353 179368923 /nfs/dbraw/zinc/36/89/23/179368923.db2.gz YDZGVYKHVZZNTR-YCPHGPKFSA-N 0 3 282.428 2.215 10 0 CEAEHN COCCCc1noc([C@@H]2C[C@H]3CCCC[C@@H]3N2)n1 ZINC000086962963 179369284 /nfs/dbraw/zinc/36/92/84/179369284.db2.gz WYPAOXKEEGZCBY-WOPDTQHZSA-N 0 3 265.357 2.242 10 0 CEAEHN CCNCc1cc(C)ccc1OCCCS(=O)(=O)CC ZINC000086973094 179371477 /nfs/dbraw/zinc/37/14/77/179371477.db2.gz DKKPEWWDBQJQAB-UHFFFAOYSA-N 0 3 299.436 2.308 10 0 CEAEHN CCS(=O)(=O)CCCOc1ccccc1[C@H](C)NC ZINC000086972819 179371517 /nfs/dbraw/zinc/37/15/17/179371517.db2.gz FOXFNJZDCCVNBF-LBPRGKRZSA-N 0 3 285.409 2.171 10 0 CEAEHN CCO[C@@H]1CCCN([C@@H](CN)c2ccc(OC)c(F)c2)C1 ZINC000086991906 179375496 /nfs/dbraw/zinc/37/54/96/179375496.db2.gz SAGURROAAZEFGL-HIFRSBDPSA-N 0 3 296.386 2.335 10 0 CEAEHN CCNCc1sc([C@H]2CSCCO2)nc1C ZINC000086990266 179375533 /nfs/dbraw/zinc/37/55/33/179375533.db2.gz KZLITRRHTNWEBK-SECBINFHSA-N 0 3 258.412 2.366 10 0 CEAEHN CCN[C@H](COC)Cc1nc(CSCC(C)C)no1 ZINC000087125996 179396500 /nfs/dbraw/zinc/39/65/00/179396500.db2.gz GBARRSMQQMTUDH-NSHDSACASA-N 0 3 287.429 2.126 10 0 CEAEHN CCC[NH2+]Cc1cc(=O)[n-]c(CS[C@@H](C)CC)n1 ZINC000087141582 179397202 /nfs/dbraw/zinc/39/72/02/179397202.db2.gz ULOQLXJIRJRIFZ-JTQLQIEISA-N 0 3 269.414 2.301 10 0 CEAEHN CN1CC[C@@](O)(Cc2cccc(C(F)(F)F)c2)C1 ZINC000087166268 179398765 /nfs/dbraw/zinc/39/87/65/179398765.db2.gz ZIQYCNCZWLFGCW-GFCCVEGCSA-N 0 3 259.271 2.315 10 0 CEAEHN CC(C)Oc1cc(OCCN(C)C)c(N)cc1F ZINC000104137720 185906586 /nfs/dbraw/zinc/90/65/86/185906586.db2.gz RRKVEFJAZVLBNU-UHFFFAOYSA-N 0 3 256.321 2.136 10 0 CEAEHN CCN[C@](C)(CC(=O)OCC)c1ccc(OC)c(OC)c1 ZINC000087548775 179444380 /nfs/dbraw/zinc/44/43/80/179444380.db2.gz QTCIVPPKQLPZEA-MRXNPFEDSA-N 0 3 295.379 2.482 10 0 CEAEHN CCOc1cc2c(cc1[C@@H](CC(=O)OC)NC)O[C@H](C)C2 ZINC000087552872 179445218 /nfs/dbraw/zinc/44/52/18/179445218.db2.gz ODMNQMKVAWOVAP-ZWNOBZJWSA-N 0 3 293.363 2.232 10 0 CEAEHN CCCN[C@@](C)(CC(=O)OC)c1ccc2c(c1)OCCO2 ZINC000087552150 179445610 /nfs/dbraw/zinc/44/56/10/179445610.db2.gz SSNVYLPIYZBXKA-INIZCTEOSA-N 0 3 293.363 2.236 10 0 CEAEHN CCN[C@](C)(CC(=O)OC)c1ccccc1OC ZINC000087553802 179446353 /nfs/dbraw/zinc/44/63/53/179446353.db2.gz JTBPEVUECZAADJ-CQSZACIVSA-N 0 3 251.326 2.083 10 0 CEAEHN OCc1cccc([C@@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000616631661 348541404 /nfs/dbraw/zinc/54/14/04/348541404.db2.gz DRTZTSBLORITNJ-SFHVURJKSA-N 0 3 282.387 2.325 10 0 CEAEHN CCCOc1ccc([C@H](NC)[C@H]2COCCO2)cc1 ZINC000087857788 179502496 /nfs/dbraw/zinc/50/24/96/179502496.db2.gz SXFGENUIOZWLDJ-CABCVRRESA-N 0 3 265.353 2.151 10 0 CEAEHN CC(C)N1CCO[C@@H](c2cccc(CCO)c2)CC1 ZINC000616595221 348528262 /nfs/dbraw/zinc/52/82/62/348528262.db2.gz UVZCEUFRVXSVHQ-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN c1ccc(CN2CCO[C@H](c3cccnn3)CC2)cc1 ZINC000616595557 348528341 /nfs/dbraw/zinc/52/83/41/348528341.db2.gz WQSNGMHAMIDZBW-INIZCTEOSA-N 0 3 269.348 2.440 10 0 CEAEHN CCN1CCOCC[C@@H]1c1cccc2nnccc21 ZINC000616598156 348528908 /nfs/dbraw/zinc/52/89/08/348528908.db2.gz HGJWYZJKLVZWRZ-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN OCCN1CCC[C@H](c2ccnc3ccccc32)C1 ZINC000616618151 348535867 /nfs/dbraw/zinc/53/58/67/348535867.db2.gz OSNZCZZEKSTBAP-ZDUSSCGKSA-N 0 3 256.349 2.407 10 0 CEAEHN Cc1c([C@@H](C)N)nnn1-c1ccc(Br)c(F)c1 ZINC000088085160 179546383 /nfs/dbraw/zinc/54/63/83/179546383.db2.gz GKQGLMLIYBWJNN-ZCFIWIBFSA-N 0 3 299.147 2.497 10 0 CEAEHN CC(C)NCC(=O)Nc1c2nsnc2ccc1Cl ZINC000088126470 179553030 /nfs/dbraw/zinc/55/30/30/179553030.db2.gz GSHSHMNAPUSTAS-UHFFFAOYSA-N 0 3 284.772 2.281 10 0 CEAEHN c1ccc(CN2CCOC[C@H](c3ccnnc3)C2)cc1 ZINC000616663467 348553588 /nfs/dbraw/zinc/55/35/88/348553588.db2.gz QCFUKQFGBPZBGK-MRXNPFEDSA-N 0 3 269.348 2.093 10 0 CEAEHN OCCN1CCc2ccccc2[C@@H]1c1cccc(CO)c1 ZINC000616679736 348559050 /nfs/dbraw/zinc/55/90/50/348559050.db2.gz ZXLJGIDHGPWDLN-SFHVURJKSA-N 0 3 283.371 2.119 10 0 CEAEHN CCn1ncnc1C[C@@H](NC)c1ccc(F)c(F)c1 ZINC000088610482 179637990 /nfs/dbraw/zinc/63/79/90/179637990.db2.gz WAEMZTDNLUYJDU-GFCCVEGCSA-N 0 3 266.295 2.079 10 0 CEAEHN c1cn(C[C@H]2CCCN2Cc2cccc3c2OCCO3)cn1 ZINC000178516816 542250081 /nfs/dbraw/zinc/25/00/81/542250081.db2.gz VXBHLILGRORTBV-OAHLLOKOSA-N 0 3 299.374 2.319 10 0 CEAEHN CCCn1c2cccc(F)c2nc1[C@]1(C)COC[C@@H]1N ZINC000090571788 180007428 /nfs/dbraw/zinc/00/74/28/180007428.db2.gz KQODIANIGUJUGY-SWLSCSKDSA-N 0 3 277.343 2.201 10 0 CEAEHN CC(C)c1ccc(CN(C)C(=O)[C@@]2(C)COC[C@@H]2N)cc1 ZINC000090591465 180009909 /nfs/dbraw/zinc/00/99/09/180009909.db2.gz WIYOZWIGCBBCBK-RDJZCZTQSA-N 0 3 290.407 2.132 10 0 CEAEHN CC(C)CCN(CCC(C)C)C(=O)[C@]1(C)COC[C@H]1N ZINC000090591430 180009962 /nfs/dbraw/zinc/00/99/62/180009962.db2.gz AJTAXNBCDGIFKK-GDBMZVCRSA-N 0 3 284.444 2.271 10 0 CEAEHN CCC(=O)N1CCCSC[C@H]1CN1CCCCC1 ZINC000090701265 180027935 /nfs/dbraw/zinc/02/79/35/180027935.db2.gz OVQIJUFCRHCJSF-CYBMUJFWSA-N 0 3 270.442 2.216 10 0 CEAEHN CC(C)NCc1ccn(C[C@H]2Cc3ccccc3O2)n1 ZINC000090877799 180052377 /nfs/dbraw/zinc/05/23/77/180052377.db2.gz DKOWEGYAIDLUKJ-OAHLLOKOSA-N 0 3 271.364 2.385 10 0 CEAEHN CCNCc1cn(C[C@H]2Cc3cc(F)ccc3O2)nc1C ZINC000090895596 180056037 /nfs/dbraw/zinc/05/60/37/180056037.db2.gz YWXSGZOAAZXDJC-OAHLLOKOSA-N 0 3 289.354 2.444 10 0 CEAEHN OC1C[C@H]2CC[C@@H](C1)N2C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894792 180056090 /nfs/dbraw/zinc/05/60/90/180056090.db2.gz DHDCBXRDIZAMBI-IXXDHKBRSA-N 0 3 277.339 2.117 10 0 CEAEHN CCN[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cccc(OC)c1 ZINC000090905988 180061118 /nfs/dbraw/zinc/06/11/18/180061118.db2.gz AYOSSUJJKANMGD-BBWFWOEESA-N 0 3 290.407 2.209 10 0 CEAEHN Cc1c([C@@H](C)NCc2sccc2N)cnn1C ZINC000090960137 180075756 /nfs/dbraw/zinc/07/57/56/180075756.db2.gz NBCBUHCZMYMZFM-MRVPVSSYSA-N 0 3 250.371 2.223 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000090962099 180076425 /nfs/dbraw/zinc/07/64/25/180076425.db2.gz VZQWXKOUEIYILK-ZIAGYGMSSA-N 0 3 262.353 2.038 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1C[C@@H]1Cc2ccccc21 ZINC000090993370 180081852 /nfs/dbraw/zinc/08/18/52/180081852.db2.gz OJXCCBAXHQFJAU-BBRMVZONSA-N 0 3 270.376 2.069 10 0 CEAEHN CC(C)CNCc1nccn1CC(=O)N1CCCCCC1 ZINC000091002760 180083763 /nfs/dbraw/zinc/08/37/63/180083763.db2.gz HFHQVNSWZQBPQL-UHFFFAOYSA-N 0 3 292.427 2.031 10 0 CEAEHN CCOC(=O)CCCCCn1cccc1CNCCOC ZINC000091002051 180084256 /nfs/dbraw/zinc/08/42/56/180084256.db2.gz OELGBGSASONOIS-UHFFFAOYSA-N 0 3 296.411 2.348 10 0 CEAEHN C[C@@H](NCc1c[nH]c2ncccc12)C(=O)N1CCCCC1 ZINC000091017325 180086932 /nfs/dbraw/zinc/08/69/32/180086932.db2.gz UDQVLBJIEURMLA-GFCCVEGCSA-N 0 3 286.379 2.054 10 0 CEAEHN c1cnc2c(c1)nc(C[C@@H]1CSCCN1)n2C1CC1 ZINC000091128714 180100026 /nfs/dbraw/zinc/10/00/26/180100026.db2.gz GWHRSABCVPBNNW-SNVBAGLBSA-N 0 3 274.393 2.014 10 0 CEAEHN CC(C)(C)SCc1noc(C[C@H]2CSCCN2)n1 ZINC000091129176 180101397 /nfs/dbraw/zinc/10/13/97/180101397.db2.gz RBOVPSAIDLSVQD-VIFPVBQESA-N 0 3 287.454 2.349 10 0 CEAEHN C[C@H](NC(=O)C[C@H]1CSCCN1)c1ccccc1F ZINC000091135398 180103628 /nfs/dbraw/zinc/10/36/28/180103628.db2.gz BWTIGGPYHJLAJM-QWRGUYRKSA-N 0 3 282.384 2.098 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)C[C@H]2CSCCN2)s1 ZINC000091137827 180105380 /nfs/dbraw/zinc/10/53/80/180105380.db2.gz JHUBHAPYEJKZMT-KOLCDFICSA-N 0 3 299.465 2.032 10 0 CEAEHN CNCc1cnn(-c2ccc(OC)cc2)c1C1CC1 ZINC000091338742 180136676 /nfs/dbraw/zinc/13/66/76/180136676.db2.gz CVKWBYUUUNCAQQ-UHFFFAOYSA-N 0 3 257.337 2.478 10 0 CEAEHN Cc1cc(C)nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1 ZINC000091359176 180140632 /nfs/dbraw/zinc/14/06/32/180140632.db2.gz AWNVMKDTFCPFDL-IHRRRGAJSA-N 0 3 288.395 2.343 10 0 CEAEHN NC[C@@H](c1cncn1C1CC1)N1CCc2sccc2C1 ZINC000091276165 180118517 /nfs/dbraw/zinc/11/85/17/180118517.db2.gz FZCXOKYJIVJUPS-ZDUSSCGKSA-N 0 3 288.420 2.338 10 0 CEAEHN CC(C)N1C(=O)CCC[C@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275597 180118598 /nfs/dbraw/zinc/11/85/98/180118598.db2.gz VSSMVMGRYIVVJY-WFASDCNBSA-N 0 3 276.384 2.007 10 0 CEAEHN CCCN[C@@H](CC(=O)OCC)c1cncn1C1CC1 ZINC000091277904 180121411 /nfs/dbraw/zinc/12/14/11/180121411.db2.gz NBXQTXGWSCAQSD-LBPRGKRZSA-N 0 3 265.357 2.212 10 0 CEAEHN CC[C@@H](NC(=O)C[C@H]1CSCCN1)c1ccccc1 ZINC000091290948 180123077 /nfs/dbraw/zinc/12/30/77/180123077.db2.gz GOVAGWJZIPKFCR-UONOGXRCSA-N 0 3 278.421 2.349 10 0 CEAEHN CCCn1c(C[C@@H]2CNCCO2)nc2cc(F)ccc21 ZINC000091293215 180124314 /nfs/dbraw/zinc/12/43/14/180124314.db2.gz AJDBXWBFXRVTFK-GFCCVEGCSA-N 0 3 277.343 2.116 10 0 CEAEHN CN1CCC(OC(=O)c2ccc(Br)nc2)CC1 ZINC000091448845 180157234 /nfs/dbraw/zinc/15/72/34/180157234.db2.gz QLGPTVMPWJZZHL-UHFFFAOYSA-N 0 3 299.168 2.095 10 0 CEAEHN C[C@H](N)c1c(F)cccc1N(C)CC1CC(O)C1 ZINC000091460526 180161243 /nfs/dbraw/zinc/16/12/43/180161243.db2.gz PVGOECMKZADKEY-WHXUTIOJSA-N 0 3 252.333 2.053 10 0 CEAEHN Cc1ncccc1NC(=O)[C@@H](CN)Cc1ccccc1 ZINC000091496134 180171000 /nfs/dbraw/zinc/17/10/00/180171000.db2.gz VVMWFZWJLSZTIC-CQSZACIVSA-N 0 3 269.348 2.146 10 0 CEAEHN Cc1cccc(C(=O)CN2CCC[C@@H](N(C)C)C2)c1 ZINC000091391587 180144934 /nfs/dbraw/zinc/14/49/34/180144934.db2.gz IFGRSLIGLRXZNR-OAHLLOKOSA-N 0 3 260.381 2.204 10 0 CEAEHN CCN(c1cncc(CNCC(C)C)n1)[C@@H](C)COC ZINC000091419849 180150667 /nfs/dbraw/zinc/15/06/67/180150667.db2.gz HFDXDZCQXAEHCZ-ZDUSSCGKSA-N 0 3 280.416 2.083 10 0 CEAEHN CCc1nccn1-c1cncc(CNC(C)(C)C)n1 ZINC000091422479 180151107 /nfs/dbraw/zinc/15/11/07/180151107.db2.gz GSMKRUJJGUDWLJ-UHFFFAOYSA-N 0 3 259.357 2.113 10 0 CEAEHN NCc1cncc(N2CCCCc3ccccc32)n1 ZINC000091422092 180151247 /nfs/dbraw/zinc/15/12/47/180151247.db2.gz AKTXLHYVISPSKH-UHFFFAOYSA-N 0 3 254.337 2.410 10 0 CEAEHN CN[C@@H](c1ccccc1F)C(C)(C)N1CCOCC1 ZINC000091566593 180194170 /nfs/dbraw/zinc/19/41/70/180194170.db2.gz ZBRDKHJZCQAYJV-AWEZNQCLSA-N 0 3 266.360 2.197 10 0 CEAEHN CC[C@](C)([C@@H](NC)c1cnccn1)N1CCCCC1 ZINC000091609668 180205271 /nfs/dbraw/zinc/20/52/71/180205271.db2.gz VHYSBZPQZHTMLT-LSDHHAIUSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccc(C)cc1)N1CCOCC1 ZINC000091611654 180206462 /nfs/dbraw/zinc/20/64/62/180206462.db2.gz IDORQKXWNVHMDC-HZPDHXFCSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@@](C)([C@H](O)C1CCCCC1)N1CCOCC1 ZINC000091611253 180206835 /nfs/dbraw/zinc/20/68/35/180206835.db2.gz KEXHYQGTMOEXDX-CABCVRRESA-N 0 3 255.402 2.429 10 0 CEAEHN CC[C@](C)([C@H](NC)c1ccoc1)N1CCOCC1 ZINC000091612630 180207497 /nfs/dbraw/zinc/20/74/97/180207497.db2.gz XPJYHSHDDHTVSS-ZIAGYGMSSA-N 0 3 252.358 2.041 10 0 CEAEHN COC(=O)[C@@]1(Nc2cc(C)cc(F)c2)CCN(C2CC2)C1 ZINC000091514779 180176703 /nfs/dbraw/zinc/17/67/03/180176703.db2.gz DHLPFRSQISXFHW-MRXNPFEDSA-N 0 3 292.354 2.326 10 0 CEAEHN CCCCCC[C@@H](C)N[C@H]1CC(=O)N(C2CC2)C1=O ZINC000105039915 186038340 /nfs/dbraw/zinc/03/83/40/186038340.db2.gz SYRIXMSPUNUVGN-YPMHNXCESA-N 0 3 266.385 2.225 10 0 CEAEHN CCN[C@@H](c1nccn1CC)C1(N(C)C)CCCC1 ZINC000091638133 180212634 /nfs/dbraw/zinc/21/26/34/180212634.db2.gz BPEMUEFQPCIAEB-ZDUSSCGKSA-N 0 3 264.417 2.428 10 0 CEAEHN Cc1cc(CC(=O)C2(N(C)C)CCCCC2)n(C)n1 ZINC000091646407 180215375 /nfs/dbraw/zinc/21/53/75/180215375.db2.gz XBJUGTYHLAQUOS-UHFFFAOYSA-N 0 3 263.385 2.105 10 0 CEAEHN CCn1cc(CC(=O)C2(N(C)C)CCCCC2)cn1 ZINC000091646426 180215445 /nfs/dbraw/zinc/21/54/45/180215445.db2.gz KTHZEDTVQHEZLO-UHFFFAOYSA-N 0 3 263.385 2.279 10 0 CEAEHN C[C@H]1CCC[C@](C(=O)Cc2ccnc(N)c2)(N(C)C)C1 ZINC000091649794 180216276 /nfs/dbraw/zinc/21/62/76/180216276.db2.gz SGUTYDHLLZCSJA-LRDDRELGSA-N 0 3 275.396 2.286 10 0 CEAEHN Cc1cnc(Cl)nc1NC[C@@H]1CCCN(C)C1 ZINC000091658750 180218899 /nfs/dbraw/zinc/21/88/99/180218899.db2.gz CSDQQIYBCMNMAT-JTQLQIEISA-N 0 3 254.765 2.192 10 0 CEAEHN CCN1CCC[C@@H](Nc2nc(Cl)ncc2C)C1 ZINC000091658472 180219036 /nfs/dbraw/zinc/21/90/36/180219036.db2.gz DOTOYSDSGPMXNO-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN CCN[C@H](c1ccc(C)s1)[C@H]1CN(C)CCO1 ZINC000091718897 180233265 /nfs/dbraw/zinc/23/32/65/180233265.db2.gz PJEOQDDGSMMELV-YPMHNXCESA-N 0 3 254.399 2.038 10 0 CEAEHN CN[C@@H](c1cccc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718114 180233353 /nfs/dbraw/zinc/23/33/53/180233353.db2.gz CBCOUXINSFPOIV-IRXDYDNUSA-N 0 3 270.376 2.431 10 0 CEAEHN CCCN[C@H](c1ccc(F)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000091719283 180234276 /nfs/dbraw/zinc/23/42/76/180234276.db2.gz RFVLIMFCPWKXDB-LSDHHAIUSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCN[C@@H](c1cc(C)ccc1OC)[C@@H]1CN(C)CCO1 ZINC000091719506 180234312 /nfs/dbraw/zinc/23/43/12/180234312.db2.gz NBUNPKSOFOOPJV-IRXDYDNUSA-N 0 3 292.423 2.375 10 0 CEAEHN CCOc1ccc([C@H](CN(C)C)NC)cc1OCC ZINC000091719631 180234344 /nfs/dbraw/zinc/23/43/44/180234344.db2.gz TUZWEKZSTXRCPQ-ZDUSSCGKSA-N 0 3 266.385 2.306 10 0 CEAEHN CC(C)Oc1ccc([C@H](N)[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720276 180235819 /nfs/dbraw/zinc/23/58/19/180235819.db2.gz HNRFPSSRJRWJNL-OIISXLGYSA-N 0 3 290.407 2.337 10 0 CEAEHN CC[C@H](N[C@@H]1CCOC[C@@H]1O)c1cccc(F)c1 ZINC000624237697 350240504 /nfs/dbraw/zinc/24/05/04/350240504.db2.gz BRHVHUHFUVKQNK-MJBXVCDLSA-N 0 3 253.317 2.016 10 0 CEAEHN CCOc1ccccc1[C@H](NC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721396 180238983 /nfs/dbraw/zinc/23/89/83/180238983.db2.gz XOHPEXJUNGNECL-COXVUDFISA-N 0 3 290.407 2.209 10 0 CEAEHN CCc1ccc(C(=O)NC[C@@H](N)c2ccccc2)o1 ZINC000091762566 180248163 /nfs/dbraw/zinc/24/81/63/180248163.db2.gz FIIFBBOQTVQLSP-CYBMUJFWSA-N 0 3 258.321 2.272 10 0 CEAEHN CCCOc1cccc(CNCCc2nc(C)no2)c1 ZINC000105469413 186059763 /nfs/dbraw/zinc/05/97/63/186059763.db2.gz GBYHIOYIGDYNMT-UHFFFAOYSA-N 0 3 275.352 2.499 10 0 CEAEHN CCNCc1ncoc1-c1cc(OC)c(OC)c(OC)c1 ZINC000091957848 180292048 /nfs/dbraw/zinc/29/20/48/180292048.db2.gz RRUOGMFAXMFQOU-UHFFFAOYSA-N 0 3 292.335 2.477 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2sc(C)nc2C)C1 ZINC000092052280 180312771 /nfs/dbraw/zinc/31/27/71/180312771.db2.gz IMDVGGKVFLWMBM-GWCFXTLKSA-N 0 3 283.441 2.131 10 0 CEAEHN CCN1CCO[C@@H](COc2ccc(Cl)cc2[C@@H](C)N)C1 ZINC000092051235 180313346 /nfs/dbraw/zinc/31/33/46/180313346.db2.gz NVRYZSAIBLBKOQ-DGCLKSJQSA-N 0 3 298.814 2.459 10 0 CEAEHN CCCCNC(=O)[C@H](C)Oc1ccc(C)nc1CNCC ZINC000091994878 180301278 /nfs/dbraw/zinc/30/12/78/180301278.db2.gz QKXMZYVZAIPVQD-ZDUSSCGKSA-N 0 3 293.411 2.183 10 0 CEAEHN CCCCOCCOc1ccc(C)nc1CNC ZINC000091994567 180301612 /nfs/dbraw/zinc/30/16/12/180301612.db2.gz UEKZFNAAMIWSKV-UHFFFAOYSA-N 0 3 252.358 2.305 10 0 CEAEHN CCN(CC)C(=O)COc1ccc(C)nc1CNC(C)C ZINC000091995354 180301830 /nfs/dbraw/zinc/30/18/30/180301830.db2.gz DMOPMKWEWTZSEM-UHFFFAOYSA-N 0 3 293.411 2.135 10 0 CEAEHN CCc1noc(COc2ccc(C)nc2CNC(C)C)n1 ZINC000091995531 180301858 /nfs/dbraw/zinc/30/18/58/180301858.db2.gz CJGYGISNBZWKRL-UHFFFAOYSA-N 0 3 290.367 2.412 10 0 CEAEHN Cc1ccc(OCCC(=O)N(C)C)c(CNC(C)(C)C)n1 ZINC000091996009 180302101 /nfs/dbraw/zinc/30/21/01/180302101.db2.gz URAHAOAFCKLIDT-UHFFFAOYSA-N 0 3 293.411 2.135 10 0 CEAEHN Cc1ccc(OC[C@H](O)COC(C)C)c(CNC(C)C)n1 ZINC000091995573 180302401 /nfs/dbraw/zinc/30/24/01/180302401.db2.gz PTKVJFHAWBCPIE-CQSZACIVSA-N 0 3 296.411 2.053 10 0 CEAEHN COc1c(CN(CC(C)C)C2CC2)c(C)nn1C ZINC000092009116 180307076 /nfs/dbraw/zinc/30/70/76/180307076.db2.gz ZWXOFMWZXNAHAV-UHFFFAOYSA-N 0 3 251.374 2.358 10 0 CEAEHN COc1ccc([C@@H](N)CN2C[C@H](C)[C@H](C)C2)c(OC)c1 ZINC000092084996 180320089 /nfs/dbraw/zinc/32/00/89/180320089.db2.gz UMOUVMVQOLWKFU-ZOWXZIJZSA-N 0 3 278.396 2.291 10 0 CEAEHN CNCc1c(N2C[C@H](C)[C@H](C)C2)nc2ccccn21 ZINC000092086727 180320382 /nfs/dbraw/zinc/32/03/82/180320382.db2.gz RCFNSYWZGYLQAY-TXEJJXNPSA-N 0 3 258.369 2.146 10 0 CEAEHN COC(=O)C1CCN(C[C@H]2COc3ccccc32)CC1 ZINC000092305658 180360076 /nfs/dbraw/zinc/36/00/76/180360076.db2.gz KKGDHZPNCVBLOS-ZDUSSCGKSA-N 0 3 275.348 2.048 10 0 CEAEHN COC(=O)CCN(C)C[C@H]1CSc2ccccc21 ZINC000092292614 180357853 /nfs/dbraw/zinc/35/78/53/180357853.db2.gz AZNNBAZAROJETK-NSHDSACASA-N 0 3 265.378 2.371 10 0 CEAEHN OC[C@H](NC[C@@H]1COc2ccccc21)c1ccccc1 ZINC000092300913 180358624 /nfs/dbraw/zinc/35/86/24/180358624.db2.gz RAZYEQAKCCRDDC-ZBFHGGJFSA-N 0 3 269.344 2.486 10 0 CEAEHN CCN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874536 186081780 /nfs/dbraw/zinc/08/17/80/186081780.db2.gz XSCTVAMJGUMEEP-LBPRGKRZSA-N 0 3 254.399 2.073 10 0 CEAEHN C[C@@H](O)CN1CCN(CCCc2ccccc2)C[C@H]1C ZINC000105823340 186073882 /nfs/dbraw/zinc/07/38/82/186073882.db2.gz LCEHHHFAZHYQIU-HZPDHXFCSA-N 0 3 276.424 2.006 10 0 CEAEHN CCOC(=O)[C@@H](C)CN[C@@H](C)c1c(C)noc1C ZINC000092332355 180364490 /nfs/dbraw/zinc/36/44/90/180364490.db2.gz YMIXREMMBCTCFL-IUCAKERBSA-N 0 3 254.330 2.141 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(C)c2)CCN1C[C@@H](C)O ZINC000106103466 186103352 /nfs/dbraw/zinc/10/33/52/186103352.db2.gz NFOQPDRYYLZYMR-WBVHZDCISA-N 0 3 276.424 2.272 10 0 CEAEHN Cc1cc(C[C@H](CN)C(=O)NC(C)C)c2ccccc2n1 ZINC000092344565 180366536 /nfs/dbraw/zinc/36/65/36/180366536.db2.gz IXTZECXNZPKCAF-CQSZACIVSA-N 0 3 285.391 2.185 10 0 CEAEHN CCCN[C@H]1c2cc(OC)ccc2CC[C@@H]1S(C)(=O)=O ZINC000092388539 180374415 /nfs/dbraw/zinc/37/44/15/180374415.db2.gz DLKWWYDANKIQAM-GJZGRUSLSA-N 0 3 297.420 2.095 10 0 CEAEHN CCOCCN(CC)[C@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387957 180374653 /nfs/dbraw/zinc/37/46/53/180374653.db2.gz AKVRPRRMHKRNAE-IRXDYDNUSA-N 0 3 293.407 2.402 10 0 CEAEHN Cc1csc2nc(C)c(CN[C@H](CO)C(C)C)n12 ZINC000092393121 180375968 /nfs/dbraw/zinc/37/59/68/180375968.db2.gz VGXWFXCNQOLBCB-LLVKDONJSA-N 0 3 267.398 2.119 10 0 CEAEHN COc1ccc(CNC2=N[C@@H](C(C)C)CS2)cn1 ZINC000092402662 180378310 /nfs/dbraw/zinc/37/83/10/180378310.db2.gz QQCJUVAZDIEVMX-LLVKDONJSA-N 0 3 265.382 2.307 10 0 CEAEHN CC(C)[C@@H]1CO[C@H](c2nc3ccccc3n2C)CN1 ZINC000092403204 180378392 /nfs/dbraw/zinc/37/83/92/180378392.db2.gz KOLQWLZWDRWZBX-JSGCOSHPSA-N 0 3 259.353 2.259 10 0 CEAEHN NNc1ccnc(CN2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000092421066 180381870 /nfs/dbraw/zinc/38/18/70/180381870.db2.gz WKPNEEXWGUTFHE-QWHCGFSZSA-N 0 3 260.385 2.379 10 0 CEAEHN CCCC[C@@H](C)N[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000106785116 186134951 /nfs/dbraw/zinc/13/49/51/186134951.db2.gz HBIUIPRYRAAHBI-OCCSQVGLSA-N 0 3 274.364 2.487 10 0 CEAEHN COCCCO[C@H]1CCc2ccc(OC)cc2[C@H]1N ZINC000092386735 180373701 /nfs/dbraw/zinc/37/37/01/180373701.db2.gz PEUYKWHWYZHIQX-LSDHHAIUSA-N 0 3 265.353 2.063 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2CC[C@@H]1OCCCOC ZINC000092386724 180373899 /nfs/dbraw/zinc/37/38/99/180373899.db2.gz BZQNLPVVUBXPQP-HOTGVXAUSA-N 0 3 279.380 2.324 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@H](OCC1CCOCC1)CC2 ZINC000092386807 180374022 /nfs/dbraw/zinc/37/40/22/180374022.db2.gz LZSMHCQMHSBJFW-IAGOWNOFSA-N 0 3 291.391 2.453 10 0 CEAEHN CC(C)[C@H](NCc1ccc(Br)cc1)C(N)=O ZINC000107323120 186169980 /nfs/dbraw/zinc/16/99/80/186169980.db2.gz BBWXCAGXIIMIPR-NSHDSACASA-N 0 3 285.185 2.049 10 0 CEAEHN CCN(Cc1cccc(C)n1)C[C@H](C)C(N)=S ZINC000092429210 180384308 /nfs/dbraw/zinc/38/43/08/180384308.db2.gz MYYXCGZZHOQVAT-JTQLQIEISA-N 0 3 251.399 2.134 10 0 CEAEHN CN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000173401126 282709231 /nfs/dbraw/zinc/70/92/31/282709231.db2.gz KKIZYPVQRLOXDC-LSDHHAIUSA-N 0 3 264.413 2.413 10 0 CEAEHN C[C@@H](NCCc1cscn1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000108941817 186237003 /nfs/dbraw/zinc/23/70/03/186237003.db2.gz DWPRSRVHSCWRKK-SECBINFHSA-N 0 3 288.376 2.206 10 0 CEAEHN C[C@H](N)c1c(F)cccc1N1CCCO[C@@H](C)C1 ZINC000109571827 186263753 /nfs/dbraw/zinc/26/37/53/186263753.db2.gz HPHKLHNUPHUTRV-QWRGUYRKSA-N 0 3 252.333 2.461 10 0 CEAEHN C[C@H](N)c1c(F)cccc1N(C)C[C@H]1CCCO1 ZINC000109568691 186264454 /nfs/dbraw/zinc/26/44/54/186264454.db2.gz ICMXCICMQASPRV-WDEREUQCSA-N 0 3 252.333 2.461 10 0 CEAEHN Cc1cccc2c1OCCC[C@H]2NCCc1nncn1C ZINC000109422555 186251690 /nfs/dbraw/zinc/25/16/90/186251690.db2.gz RVCCJZIQEAVWNK-CQSZACIVSA-N 0 3 286.379 2.170 10 0 CEAEHN CCCC[C@H](CC)CN1CCN([C@@H](C)C(N)=S)CC1 ZINC000109468028 186254479 /nfs/dbraw/zinc/25/44/79/186254479.db2.gz PMIYMICFJKTODM-KBPBESRZSA-N 0 3 285.501 2.495 10 0 CEAEHN CN(C)[C@@H]1CCN(c2nc(C(C)(C)C)c(C=O)s2)C1 ZINC000110272183 186289556 /nfs/dbraw/zinc/28/95/56/186289556.db2.gz ZRQZOVNIBRLVKT-SNVBAGLBSA-N 0 3 281.425 2.393 10 0 CEAEHN CCOCCOc1ccc(C)cc1CNCCOC ZINC000110460451 186297301 /nfs/dbraw/zinc/29/73/01/186297301.db2.gz FWRQNURFVPIMMK-UHFFFAOYSA-N 0 3 267.369 2.146 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CCc1ccncc1 ZINC000110629675 186307967 /nfs/dbraw/zinc/30/79/67/186307967.db2.gz FGBMHMXPOFOFNC-UHFFFAOYSA-N 0 3 286.310 2.404 10 0 CEAEHN C[C@@H]1CCCN(c2nc3ccccn3c2CN)CC1 ZINC000110807692 186326230 /nfs/dbraw/zinc/32/62/30/186326230.db2.gz GKFOLHONVDUIGQ-GFCCVEGCSA-N 0 3 258.369 2.419 10 0 CEAEHN CNCc1c(C)nn(C)c1N1CCC[C@H](C)CC1 ZINC000110807176 186326275 /nfs/dbraw/zinc/32/62/75/186326275.db2.gz XJPVPZIGWWQDMS-NSHDSACASA-N 0 3 250.390 2.074 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1O[C@@H]1CCOC1=O ZINC000110960776 186337521 /nfs/dbraw/zinc/33/75/21/186337521.db2.gz DQTQXWGMRJQRKB-WCQYABFASA-N 0 3 263.337 2.360 10 0 CEAEHN CSc1ccc(O[C@H](CN)c2cnn(C)c2)cc1 ZINC000110981355 186339385 /nfs/dbraw/zinc/33/93/85/186339385.db2.gz CJUNFHHIAVKCAB-CYBMUJFWSA-N 0 3 263.366 2.221 10 0 CEAEHN CCN1CCN(Cc2ccc(N)c3cccnc23)C[C@@H]1C ZINC000110702392 186314462 /nfs/dbraw/zinc/31/44/62/186314462.db2.gz UAVYENGYGSMEDD-ZDUSSCGKSA-N 0 3 284.407 2.343 10 0 CEAEHN C[C@@H]([C@@H](O)c1ccccc1)N1CCN(C)C(C)(C)C1 ZINC000110736567 186318922 /nfs/dbraw/zinc/31/89/22/186318922.db2.gz FLTXLUCMNHSJPU-DZGCQCFKSA-N 0 3 262.397 2.135 10 0 CEAEHN C[C@@H]1CN(CCNc2ccccc2Cl)CCN1C ZINC000110756461 186321538 /nfs/dbraw/zinc/32/15/38/186321538.db2.gz VRTRYQKSILFCIO-GFCCVEGCSA-N 0 3 267.804 2.388 10 0 CEAEHN CCN1CCN(Cc2ccoc2CNC(C)C)C[C@@H]1C ZINC000110752573 186321702 /nfs/dbraw/zinc/32/17/02/186321702.db2.gz MALMWJQMOXOCGI-AWEZNQCLSA-N 0 3 279.428 2.304 10 0 CEAEHN CCN1CCN(CCNc2ccccc2C)C[C@@H]1C ZINC000110756842 186321878 /nfs/dbraw/zinc/32/18/78/186321878.db2.gz UAVJQNATFQPMGW-HNNXBMFYSA-N 0 3 261.413 2.433 10 0 CEAEHN CCN1CCN(c2ncc(CNC(C)C)s2)C[C@@H]1C ZINC000110758501 186321951 /nfs/dbraw/zinc/32/19/51/186321951.db2.gz AVLJTJAJFQESRU-LBPRGKRZSA-N 0 3 282.457 2.172 10 0 CEAEHN C[C@H]1CN(c2nc(C(C)(C)C)c(CN)s2)CCN1C ZINC000110760003 186323248 /nfs/dbraw/zinc/32/32/48/186323248.db2.gz MCTPDLUAOZRNMJ-JTQLQIEISA-N 0 3 282.457 2.040 10 0 CEAEHN NC(=S)c1cc(F)ccc1N[C@H]1CCN(C2CC2)C1 ZINC000111032142 186346840 /nfs/dbraw/zinc/34/68/40/186346840.db2.gz XUFMXYAHVFVABD-JTQLQIEISA-N 0 3 279.384 2.109 10 0 CEAEHN COc1ncnc(OC)c1CNC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111075800 186350984 /nfs/dbraw/zinc/35/09/84/186350984.db2.gz CEHDKWVXAOJGIO-QJPTWQEYSA-N 0 3 277.368 2.020 10 0 CEAEHN NC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ZINC000111087778 186352049 /nfs/dbraw/zinc/35/20/49/186352049.db2.gz NFAJEMFTMBVETO-YNEHKIRRSA-N 0 3 250.386 2.200 10 0 CEAEHN CCCNCc1cc(N(CC)CCOCC)ccn1 ZINC000111123544 186355004 /nfs/dbraw/zinc/35/50/04/186355004.db2.gz QMMFWICZSDKGRQ-UHFFFAOYSA-N 0 3 265.401 2.444 10 0 CEAEHN CCCc1ccc(C(=O)CN(C)CCN(C)C)cc1 ZINC000111139831 186357525 /nfs/dbraw/zinc/35/75/25/186357525.db2.gz RWHLKJVUYRQEME-UHFFFAOYSA-N 0 3 262.397 2.315 10 0 CEAEHN CCNc1nc(CN(C)CCN(C)C)nc2sccc21 ZINC000111146115 186359095 /nfs/dbraw/zinc/35/90/95/186359095.db2.gz IJPSSZSWYUDGIS-UHFFFAOYSA-N 0 3 293.440 2.117 10 0 CEAEHN NCc1ccc(C(=O)Nc2ccc3c(c2)CCC3)nc1 ZINC000111281272 186387643 /nfs/dbraw/zinc/38/76/43/186387643.db2.gz YPIOJROPMPLODE-UHFFFAOYSA-N 0 3 267.332 2.281 10 0 CEAEHN C[C@H](NC(=O)c1ccc(CN)cn1)c1ccccc1 ZINC000111281066 186387678 /nfs/dbraw/zinc/38/76/78/186387678.db2.gz YKRHYBDPTGIQIY-NSHDSACASA-N 0 3 255.321 2.031 10 0 CEAEHN NCc1ccc(C(=O)Nc2ccc(F)cc2F)nc1 ZINC000111281116 186388790 /nfs/dbraw/zinc/38/87/90/186388790.db2.gz LXZYUWXUOOQPMN-UHFFFAOYSA-N 0 3 263.247 2.071 10 0 CEAEHN CCCc1c(Cl)ncnc1N[C@@H]1CCN(C)C1 ZINC000111297330 186392976 /nfs/dbraw/zinc/39/29/76/186392976.db2.gz YGUVCYDFPHBOGQ-SECBINFHSA-N 0 3 254.765 2.199 10 0 CEAEHN N[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccccc1F ZINC000111367450 186406919 /nfs/dbraw/zinc/40/69/19/186406919.db2.gz IJGLDFQXIPZZGF-LSDHHAIUSA-N 0 3 270.307 2.180 10 0 CEAEHN O[C@H]1COCC[C@H]1NCc1ccsc1C(F)(F)F ZINC000628468774 351108546 /nfs/dbraw/zinc/10/85/46/351108546.db2.gz YWPVQHXVHXBYLF-BDAKNGLRSA-N 0 3 281.299 2.006 10 0 CEAEHN CCO[C@H]1CCCN(C[C@H](O)COCc2ccccc2)C1 ZINC000070197484 363052845 /nfs/dbraw/zinc/05/28/45/363052845.db2.gz LNZGPJMJLYDWJG-IRXDYDNUSA-N 0 3 293.407 2.065 10 0 CEAEHN COc1ccc([C@H](N)CO)cc1OCc1ccccc1 ZINC000072199480 363121563 /nfs/dbraw/zinc/12/15/63/363121563.db2.gz FEHHEYDKMBTXPP-CQSZACIVSA-N 0 3 273.332 2.266 10 0 CEAEHN CC(=O)c1cc(F)ccc1N1CCN2CCC[C@@H]2C1 ZINC000094461322 539879736 /nfs/dbraw/zinc/87/97/36/539879736.db2.gz SKNGJDWESILUHQ-CYBMUJFWSA-N 0 3 262.328 2.313 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1CC1CCOCC1 ZINC000252694205 539893248 /nfs/dbraw/zinc/89/32/48/539893248.db2.gz XYKLUNNXSMSORD-HOTGVXAUSA-N 0 3 266.429 2.362 10 0 CEAEHN COCOc1ccc(OC)cc1CN[C@H](C)[C@H]1CCCO1 ZINC000154479702 188145150 /nfs/dbraw/zinc/14/51/50/188145150.db2.gz MVWJTJMCKRPOAI-IUODEOHRSA-N 0 3 295.379 2.335 10 0 CEAEHN COc1ccsc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000155769698 188226716 /nfs/dbraw/zinc/22/67/16/188226716.db2.gz JZDLVUYMBJQINZ-MNOVXSKESA-N 0 3 282.409 2.215 10 0 CEAEHN C[C@H](N)C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000157136934 188299161 /nfs/dbraw/zinc/29/91/61/188299161.db2.gz FXKLJKOPQSPZRY-LBPRGKRZSA-N 0 3 258.321 2.156 10 0 CEAEHN CCc1ccc([C@@H](C)NC(=O)NCCN(C)C)cc1 ZINC000133341019 366214452 /nfs/dbraw/zinc/21/44/52/366214452.db2.gz RLQBZQQGPDKGEO-GFCCVEGCSA-N 0 3 263.385 2.171 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccoc2)=C[C@H](N)C1 ZINC000675077353 540118527 /nfs/dbraw/zinc/11/85/27/540118527.db2.gz CUQABYVYYQBJOS-LBPRGKRZSA-N 0 3 264.325 2.241 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(C2CCC2)=C[C@H](N)C1 ZINC000675077935 540119078 /nfs/dbraw/zinc/11/90/78/540119078.db2.gz KERRCMOIUCEQSJ-LBPRGKRZSA-N 0 3 252.358 2.291 10 0 CEAEHN CCc1cc(CN)c(OC)cc1I ZINC000575725689 366348825 /nfs/dbraw/zinc/34/88/25/366348825.db2.gz MPFMOZMNOCUOJF-UHFFFAOYSA-N 0 3 291.132 2.321 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1ccsc1 ZINC000227905544 538769588 /nfs/dbraw/zinc/76/95/88/538769588.db2.gz OBIKNQCKAUZMKV-ZDUSSCGKSA-N 0 3 257.399 2.358 10 0 CEAEHN Cc1ccccc1OCCN(C)C(=O)[C@]1(C)CCCCN1 ZINC000136149492 366498841 /nfs/dbraw/zinc/49/88/41/366498841.db2.gz FMKYNGRZUDFZKD-KRWDZBQOSA-N 0 3 290.407 2.364 10 0 CEAEHN C/C=C/C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000685939256 540635084 /nfs/dbraw/zinc/63/50/84/540635084.db2.gz IWZXQWTXOXVFQT-BZRVQBCOSA-N 0 3 262.328 2.045 10 0 CEAEHN NC1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000147746327 366575976 /nfs/dbraw/zinc/57/59/76/366575976.db2.gz KKCIXLAKRBXWCX-RKDXNWHRSA-N 0 3 264.291 2.105 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1ccc(Cl)cc1OC ZINC000236965079 370667176 /nfs/dbraw/zinc/66/71/76/370667176.db2.gz NQAJABVUPOWJDC-LLVKDONJSA-N 0 3 270.760 2.092 10 0 CEAEHN Cc1cccc(NC[C@@H]2CCN(Cc3cncn3C)C2)n1 ZINC000177034718 189022278 /nfs/dbraw/zinc/02/22/78/189022278.db2.gz RNTIWNVYXKESSP-AWEZNQCLSA-N 0 3 285.395 2.058 10 0 CEAEHN CCOC(=O)CCCN[C@H]1CCc2c1cccc2O ZINC000081544856 363727492 /nfs/dbraw/zinc/72/74/92/363727492.db2.gz XBHAYYWSJRIHAK-ZDUSSCGKSA-N 0 3 263.337 2.312 10 0 CEAEHN Cc1ccc2cc(C(=O)N3CCN4CCC[C@@H]4C3)ccc2n1 ZINC000178525458 189123812 /nfs/dbraw/zinc/12/38/12/189123812.db2.gz XHOPZCZXAZZVHQ-MRXNPFEDSA-N 0 3 295.386 2.463 10 0 CEAEHN O=C([C@@H](c1ccccc1)C1CC1)N1CCN2CCC[C@@H]2C1 ZINC000179753139 189218397 /nfs/dbraw/zinc/21/83/97/189218397.db2.gz CYZISYGVWUWABM-SJORKVTESA-N 0 3 284.403 2.487 10 0 CEAEHN CC(C)[C@H](N)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000181842581 189308077 /nfs/dbraw/zinc/30/80/77/189308077.db2.gz FVICWFAKZACAJB-HNNXBMFYSA-N 0 3 291.395 2.003 10 0 CEAEHN Cn1cc([C@@H]2CCN(CCCC(=O)OC(C)(C)C)C2)cn1 ZINC000181890546 189309856 /nfs/dbraw/zinc/30/98/56/189309856.db2.gz SKRVMOBNCDHTBA-CYBMUJFWSA-N 0 3 293.411 2.331 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000182100644 189314019 /nfs/dbraw/zinc/31/40/19/189314019.db2.gz PGQFHVYIGAOTAD-QMTHXVAHSA-N 0 3 293.411 2.039 10 0 CEAEHN Cc1cccc2c(NCc3ncnn3C)ccnc12 ZINC000301643760 201112256 /nfs/dbraw/zinc/11/22/56/201112256.db2.gz CEWIRMDTQMDWLS-UHFFFAOYSA-N 0 3 253.309 2.284 10 0 CEAEHN C[C@H]1CCCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000155052121 366804688 /nfs/dbraw/zinc/80/46/88/366804688.db2.gz WSEAWEGGFAJTAE-GOEBONIOSA-N 0 3 294.439 2.278 10 0 CEAEHN CC(=O)NC1CCC(N[C@@H]2COc3ccccc32)CC1 ZINC000155240625 366811375 /nfs/dbraw/zinc/81/13/75/366811375.db2.gz YJZPWHORWUIWJA-SSDMNJCBSA-N 0 3 274.364 2.157 10 0 CEAEHN Cc1nnc(NC2CCN([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000301691989 201143066 /nfs/dbraw/zinc/14/30/66/201143066.db2.gz KYAYANIXKUYTNF-QWHCGFSZSA-N 0 3 296.440 2.026 10 0 CEAEHN COc1cc2c(c(OC)c1OC)[C@H](C)N(C)CC2 ZINC000014724858 361459345 /nfs/dbraw/zinc/45/93/45/361459345.db2.gz SDLPOZWCCRGUOA-VIFPVBQESA-N 0 3 251.326 2.261 10 0 CEAEHN COc1ccc([C@@]23C=CC(=O)C[C@H]2N(C)CC3)cc1OC ZINC000014589278 361458027 /nfs/dbraw/zinc/45/80/27/361458027.db2.gz HDNHBCSWFYFPAN-SJORKVTESA-N 0 3 287.359 2.175 10 0 CEAEHN CCOc1ccccc1[C@H](C)NCCN1CCOCC1 ZINC000019954682 361570592 /nfs/dbraw/zinc/57/05/92/361570592.db2.gz DAMGOAITVPGSHG-AWEZNQCLSA-N 0 3 278.396 2.068 10 0 CEAEHN C[C@H](NCC1(O)CCOCC1)c1cc(F)ccc1F ZINC000162281925 541121268 /nfs/dbraw/zinc/12/12/68/541121268.db2.gz LBZULIPUPUZQQC-JTQLQIEISA-N 0 3 271.307 2.157 10 0 CEAEHN Cc1cccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)n1 ZINC000026323490 361638895 /nfs/dbraw/zinc/63/88/95/361638895.db2.gz FMHWTLQYUWBQSB-INIZCTEOSA-N 0 3 283.375 2.423 10 0 CEAEHN O=C(Cc1ccc(Cl)cc1)N1CCN2CCC[C@@H]2C1 ZINC000027932898 361663201 /nfs/dbraw/zinc/66/32/01/361663201.db2.gz XKBGFCOOKCSVNW-CQSZACIVSA-N 0 3 278.783 2.189 10 0 CEAEHN C[C@@H]1CN(c2cccc(C(F)(F)F)n2)[C@@H](C)CN1 ZINC000086471541 363837187 /nfs/dbraw/zinc/83/71/87/363837187.db2.gz YNMWHBJYISTWPI-BDAKNGLRSA-N 0 3 259.275 2.287 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCc2nc(C)no2)c1C ZINC000089517714 363975343 /nfs/dbraw/zinc/97/53/43/363975343.db2.gz NHGCCBYGNZWJAY-SECBINFHSA-N 0 3 277.372 2.105 10 0 CEAEHN CC(C)n1cncc1CN1CCC[C@@H]1CCCO ZINC000090237136 364050972 /nfs/dbraw/zinc/05/09/72/364050972.db2.gz OTAUDLWXVKLNKM-CYBMUJFWSA-N 0 3 251.374 2.201 10 0 CEAEHN COc1c(CN2CCC[C@H](C)CC2)c(C)nn1C ZINC000092586262 364083960 /nfs/dbraw/zinc/08/39/60/364083960.db2.gz WZGUWQPWHVELLL-NSHDSACASA-N 0 3 251.374 2.359 10 0 CEAEHN CCn1cc(C2CCN(CC3=CCCOC3)CC2)cn1 ZINC000092809349 364109974 /nfs/dbraw/zinc/10/99/74/364109974.db2.gz BDTAIEWCTRIWHA-UHFFFAOYSA-N 0 3 275.396 2.429 10 0 CEAEHN Cc1ccc(N2CCCN(Cc3cccnc3C)CC2)nn1 ZINC000093272225 364156950 /nfs/dbraw/zinc/15/69/50/364156950.db2.gz HDMXVWXHLLOCOW-UHFFFAOYSA-N 0 3 297.406 2.201 10 0 CEAEHN NCc1nc(Br)ccc1Br ZINC000156749247 366837494 /nfs/dbraw/zinc/83/74/94/366837494.db2.gz CGFUZHXQZAVOCY-UHFFFAOYSA-N 0 3 265.936 2.065 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CC[C@H]1CCCCO1 ZINC000110663427 364723534 /nfs/dbraw/zinc/72/35/34/364723534.db2.gz BOTMKPURXQEORX-HUUCEWRRSA-N 0 3 284.444 2.428 10 0 CEAEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccccc1Cl ZINC000112453304 364809883 /nfs/dbraw/zinc/80/98/83/364809883.db2.gz QXSZWEBTMPZUDY-VXGBXAGGSA-N 0 3 268.788 2.321 10 0 CEAEHN Cc1noc(C)c1[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113225748 364877117 /nfs/dbraw/zinc/87/71/17/364877117.db2.gz QZCSMYXUALQCLB-COPLHBTASA-N 0 3 291.395 2.090 10 0 CEAEHN CCOc1cccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000113222339 364877443 /nfs/dbraw/zinc/87/74/43/364877443.db2.gz STYDSPJUNSFPJE-DZGCQCFKSA-N 0 3 288.391 2.394 10 0 CEAEHN COc1cc(C)sc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113885040 364916558 /nfs/dbraw/zinc/91/65/58/364916558.db2.gz ZCDHRRZOCPRPCW-CMPLNLGQSA-N 0 3 294.420 2.374 10 0 CEAEHN COC[C@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114642007 364954273 /nfs/dbraw/zinc/95/42/73/364954273.db2.gz YFPGKWMSTJRNAD-GOEBONIOSA-N 0 3 290.407 2.050 10 0 CEAEHN COc1ccsc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000114682530 364956823 /nfs/dbraw/zinc/95/68/23/364956823.db2.gz SJFABVJCKQAOQU-LLVKDONJSA-N 0 3 284.425 2.463 10 0 CEAEHN CCCC[C@H](CC)CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117261652 365099319 /nfs/dbraw/zinc/09/93/19/365099319.db2.gz AWHVLVRURNOHBJ-GJZGRUSLSA-N 0 3 284.444 2.382 10 0 CEAEHN C[C@H](C(=O)N[C@H]1COc2ccccc21)N1[C@H](C)CC[C@@H]1C ZINC000245202861 370805949 /nfs/dbraw/zinc/80/59/49/370805949.db2.gz WSMOGIXGNUZXPD-COMQUAJESA-N 0 3 288.391 2.498 10 0 CEAEHN CC[C@@H]1CN(Cc2sccc2C)CCN1C[C@@H](C)O ZINC000120714963 365464967 /nfs/dbraw/zinc/46/49/67/365464967.db2.gz JBAPXTGXYOESHN-ZIAGYGMSSA-N 0 3 282.453 2.334 10 0 CEAEHN CC[C@H]1CN(Cc2c(F)cccc2F)CCN1C[C@@H](C)O ZINC000120762881 365472797 /nfs/dbraw/zinc/47/27/97/365472797.db2.gz NHVAHGSAKSBEHT-OLZOCXBDSA-N 0 3 298.377 2.242 10 0 CEAEHN CC[C@@H](C)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000120590367 365446625 /nfs/dbraw/zinc/44/66/25/365446625.db2.gz MCXFUJQRAKVOJV-DOMZBBRYSA-N 0 3 265.401 2.247 10 0 CEAEHN CCOCCN1CCN(Cc2cccc(O)c2)C[C@@H]1CC ZINC000121009305 365510813 /nfs/dbraw/zinc/51/08/13/365510813.db2.gz SKOOVGCXZVJGNR-INIZCTEOSA-N 0 3 292.423 2.325 10 0 CEAEHN Cc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1O ZINC000245696206 370858025 /nfs/dbraw/zinc/85/80/25/370858025.db2.gz LAFSQTGKJSORKN-TZMCWYRMSA-N 0 3 276.380 2.159 10 0 CEAEHN CN(C)C[C@H](NC(=O)COC(C)(C)C)c1ccccc1 ZINC000164738971 367294704 /nfs/dbraw/zinc/29/47/04/367294704.db2.gz AFUQCHZMVQNBGV-AWEZNQCLSA-N 0 3 278.396 2.221 10 0 CEAEHN CSc1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170833915 367427553 /nfs/dbraw/zinc/42/75/53/367427553.db2.gz SAKTXKQAZYXILQ-CYBMUJFWSA-N 0 3 293.436 2.254 10 0 CEAEHN CCN(Cc1cnn(C)c1)C[C@](C)(O)c1ccccc1 ZINC000170778967 367414159 /nfs/dbraw/zinc/41/41/59/367414159.db2.gz LJQYEZHEGYJOBP-INIZCTEOSA-N 0 3 273.380 2.150 10 0 CEAEHN Cc1ccc(F)c(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000171070819 367471688 /nfs/dbraw/zinc/47/16/88/367471688.db2.gz QVZRZESLILRPAA-LLVKDONJSA-N 0 3 265.332 2.302 10 0 CEAEHN Cc1cc(C)c(OCC(=O)N2CC[C@H](N(C)C)C2)c(C)c1 ZINC000170861670 367434164 /nfs/dbraw/zinc/43/41/64/367434164.db2.gz FYXFVYBASWCUBN-HNNXBMFYSA-N 0 3 290.407 2.153 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000170863753 367434302 /nfs/dbraw/zinc/43/43/02/367434302.db2.gz AQVNKTWMIWUKPB-ZDUSSCGKSA-N 0 3 289.354 2.012 10 0 CEAEHN CC(C)CC[C@@H](C)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170861904 367434926 /nfs/dbraw/zinc/43/49/26/367434926.db2.gz FBIZUVKCVNTNLW-OLZOCXBDSA-N 0 3 255.406 2.157 10 0 CEAEHN CCCc1nc(C)c(C(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000170866279 367436009 /nfs/dbraw/zinc/43/60/09/367436009.db2.gz OMXQHPUDVYFWSJ-NSHDSACASA-N 0 3 281.425 2.180 10 0 CEAEHN COc1ccccc1/C(C)=C/C(=O)N1CC[C@H](N(C)C)C1 ZINC000170868562 367436696 /nfs/dbraw/zinc/43/66/96/367436696.db2.gz XFZXVHLPFLPJCS-CMPYXILNSA-N 0 3 288.391 2.261 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)C1 ZINC000171385256 367532688 /nfs/dbraw/zinc/53/26/88/367532688.db2.gz CFRASJXKJRVKFL-CYBMUJFWSA-N 0 3 272.352 2.336 10 0 CEAEHN c1cc(-c2noc(CN3CCN4CCC[C@@H]4C3)n2)cs1 ZINC000171643393 367584403 /nfs/dbraw/zinc/58/44/03/367584403.db2.gz KEQVNRHUECIJGO-GFCCVEGCSA-N 0 3 290.392 2.078 10 0 CEAEHN Cc1[nH]c2ccccc2c1C(=O)N1CCN2CCC[C@H]2C1 ZINC000171585424 367573153 /nfs/dbraw/zinc/57/31/53/367573153.db2.gz OJABUPQKHIGFKC-ZDUSSCGKSA-N 0 3 283.375 2.397 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C/c2cnc(C)s2)C1 ZINC000171804582 367618739 /nfs/dbraw/zinc/61/87/39/367618739.db2.gz VAZPZDLUZQMTQG-SYTKJHMZSA-N 0 3 279.409 2.065 10 0 CEAEHN O=C(NCC1(c2ccccc2)CC1)N1CCN2CCC[C@H]2C1 ZINC000171899711 367635839 /nfs/dbraw/zinc/63/58/39/367635839.db2.gz MWLHKBXXTOYNBQ-INIZCTEOSA-N 0 3 299.418 2.208 10 0 CEAEHN CC[C@H](O)CN1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000172355055 367724543 /nfs/dbraw/zinc/72/45/43/367724543.db2.gz PSQILGDLHGZMFV-BBRMVZONSA-N 0 3 280.387 2.275 10 0 CEAEHN Cc1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)s1 ZINC000245715937 370863751 /nfs/dbraw/zinc/86/37/51/370863751.db2.gz GVNTWCOVZWAKGH-DOMZBBRYSA-N 0 3 280.437 2.209 10 0 CEAEHN CCOCCN1CCN(Cc2ccc(OC)cc2)C[C@H]1C ZINC000245725174 370865467 /nfs/dbraw/zinc/86/54/67/370865467.db2.gz IRULDXDMSRBYAZ-OAHLLOKOSA-N 0 3 292.423 2.238 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccc(C)cc1 ZINC000175350728 368128745 /nfs/dbraw/zinc/12/87/45/368128745.db2.gz CIZAMUCKYSKODD-INIZCTEOSA-N 0 3 289.423 2.350 10 0 CEAEHN O=C(N[C@@H]1CCCc2occc21)N1CCN2CCC[C@@H]2C1 ZINC000171901515 284046182 /nfs/dbraw/zinc/04/61/82/284046182.db2.gz YFRWGUAXVKOUDK-TZMCWYRMSA-N 0 3 289.379 2.147 10 0 CEAEHN C[C@H](NCC[C@H]1CCOC1=O)c1ccc2c(c1)OCCO2 ZINC000181752833 368492036 /nfs/dbraw/zinc/49/20/36/368492036.db2.gz XKFUANIUKDGTBQ-RYUDHWBXSA-N 0 3 291.347 2.062 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC(=O)NCCN(C)C)[C@H](C)C2 ZINC000181935616 368508398 /nfs/dbraw/zinc/50/83/98/368508398.db2.gz BRFKVIZMGVZECG-IUODEOHRSA-N 0 3 275.396 2.089 10 0 CEAEHN CC(=O)N[C@H]1CCCN(CCCOCc2ccccc2)C1 ZINC000182246184 368541426 /nfs/dbraw/zinc/54/14/26/368541426.db2.gz WZEWINFDEOYNDP-KRWDZBQOSA-N 0 3 290.407 2.194 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C/c1ccc(O)cc1 ZINC000183488656 368629661 /nfs/dbraw/zinc/62/96/61/368629661.db2.gz PTFVUHDGPUEDTE-JOZWUWCOSA-N 0 3 290.407 2.498 10 0 CEAEHN CS[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000246128294 370912680 /nfs/dbraw/zinc/91/26/80/370912680.db2.gz BDDDVMMVHSWZGW-LSDHHAIUSA-N 0 3 290.432 2.397 10 0 CEAEHN Cc1ccc(OC[C@H](O)CN2CCS[C@@H](C)C2)c(C)c1 ZINC000246148966 370915835 /nfs/dbraw/zinc/91/58/35/370915835.db2.gz PDVSMWCWGJGWMU-LSDHHAIUSA-N 0 3 295.448 2.480 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2cncc(C)c2)C12CCOCC2 ZINC000186435727 368973531 /nfs/dbraw/zinc/97/35/31/368973531.db2.gz WZZPSSODXLETNE-HZPDHXFCSA-N 0 3 290.407 2.454 10 0 CEAEHN C[C@H](N[C@H]1CCCS(=O)(=O)CC1)c1cccs1 ZINC000634949799 368983756 /nfs/dbraw/zinc/98/37/56/368983756.db2.gz AFCKHLDYIOANJP-QWRGUYRKSA-N 0 3 273.423 2.366 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2cncs2)C12CCOCC2 ZINC000186503989 368984365 /nfs/dbraw/zinc/98/43/65/368984365.db2.gz UWGCSULZLDMMKV-CHWSQXEVSA-N 0 3 282.409 2.207 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(C)nc2C)CCN1CCOC ZINC000186971420 369078105 /nfs/dbraw/zinc/07/81/05/369078105.db2.gz ZETKLNRJDSXKFR-QGZVFWFLSA-N 0 3 291.439 2.241 10 0 CEAEHN COc1cc(NC(=O)N2CC[C@H](N(C)C)C2)ccc1F ZINC000187085911 369099396 /nfs/dbraw/zinc/09/93/96/369099396.db2.gz WVVGHAIPMXSBEM-NSHDSACASA-N 0 3 281.331 2.002 10 0 CEAEHN Cc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)co1 ZINC000188365008 369344322 /nfs/dbraw/zinc/34/43/22/369344322.db2.gz MCHMNFOHARJTSW-GXFFZTMASA-N 0 3 250.342 2.047 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC000246576035 370979901 /nfs/dbraw/zinc/97/99/01/370979901.db2.gz HBUGSVMYZFGPCI-GDBMZVCRSA-N 0 3 274.408 2.466 10 0 CEAEHN CCC(=O)CCN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000190242600 369607358 /nfs/dbraw/zinc/60/73/58/369607358.db2.gz FOYMGMWTLYYURT-CQSZACIVSA-N 0 3 275.396 2.493 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N(C)c2ccc(F)cc2)C1 ZINC000190618466 369639819 /nfs/dbraw/zinc/63/98/19/369639819.db2.gz IJMNSTNYNPDANO-ZDUSSCGKSA-N 0 3 265.332 2.018 10 0 CEAEHN C=Cn1cc(CN2CCC[C@H]2Cn2ccnc2C)cn1 ZINC000194043085 370001761 /nfs/dbraw/zinc/00/17/61/370001761.db2.gz XBKGMNFZBTVURC-HNNXBMFYSA-N 0 3 271.368 2.153 10 0 CEAEHN Cn1nccc1C1CCN(C[C@@H]2CCCCO2)CC1 ZINC000195503503 370135602 /nfs/dbraw/zinc/13/56/02/370135602.db2.gz YDKAFQWCZLFLGQ-AWEZNQCLSA-N 0 3 263.385 2.169 10 0 CEAEHN CC(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000208130584 370158963 /nfs/dbraw/zinc/15/89/63/370158963.db2.gz YHFAMHNJNUQASN-CQSZACIVSA-N 0 3 262.353 2.396 10 0 CEAEHN Cc1n[nH]c(C)c1CNCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000222079698 370249153 /nfs/dbraw/zinc/24/91/53/370249153.db2.gz KNJUXFOTCUYVBV-SNVBAGLBSA-N 0 3 296.415 2.419 10 0 CEAEHN CCN[C@@H](C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000638032798 370256620 /nfs/dbraw/zinc/25/66/20/370256620.db2.gz AXABAPRHBFTCGS-MNOVXSKESA-N 0 3 252.333 2.309 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCc2ccn(C)n2)c1C ZINC000230898024 370468487 /nfs/dbraw/zinc/46/84/87/370468487.db2.gz YHTPRSPCXAALRF-LLVKDONJSA-N 0 3 275.400 2.147 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](c2ccccc2)C2CC2)C1 ZINC000164448046 541810266 /nfs/dbraw/zinc/81/02/66/541810266.db2.gz PRWLRVGXLILSTF-SJORKVTESA-N 0 3 274.408 2.448 10 0 CEAEHN CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000246975023 371040872 /nfs/dbraw/zinc/04/08/72/371040872.db2.gz DUDKUADOVMDLKW-HIFRSBDPSA-N 0 3 288.391 2.394 10 0 CEAEHN C[C@H](c1nc(C(C)(C)C)no1)N1CCN2CCC[C@H]2C1 ZINC000247002752 371043697 /nfs/dbraw/zinc/04/36/97/371043697.db2.gz BQBNYXFVOFQTNO-NEPJUHHUSA-N 0 3 278.400 2.208 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CCC[C@@H](SC)C2)C1 ZINC000247090707 371063139 /nfs/dbraw/zinc/06/31/39/371063139.db2.gz LZXIKHWQWZBKRG-MELADBBJSA-N 0 3 299.484 2.444 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N(C)C)C2)[C@@H](C)C1 ZINC000247244108 371082244 /nfs/dbraw/zinc/08/22/44/371082244.db2.gz NGAYVMAQAZMBOF-RFGFWPKPSA-N 0 3 267.417 2.157 10 0 CEAEHN CSc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)ccn1 ZINC000247317838 371092626 /nfs/dbraw/zinc/09/26/26/371092626.db2.gz MGZMMCUYOZMGMN-DGCLKSJQSA-N 0 3 293.436 2.262 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(F)c2)CCN1C[C@H](C)O ZINC000247808582 371142747 /nfs/dbraw/zinc/14/27/47/371142747.db2.gz UDHRJHWNQIKUSK-BBRMVZONSA-N 0 3 280.387 2.103 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@H]2C1)c1ccc(F)cc1F ZINC000248331258 371175850 /nfs/dbraw/zinc/17/58/50/371175850.db2.gz DWWWGKBCSRTKKW-XJKSGUPXSA-N 0 3 296.361 2.168 10 0 CEAEHN c1cc(CN2CCN3CCCC[C@H]3C2)cc2c1OCC2 ZINC000248345081 371177301 /nfs/dbraw/zinc/17/73/01/371177301.db2.gz MJGDXUDKWCPZNQ-INIZCTEOSA-N 0 3 272.392 2.292 10 0 CEAEHN CC[C@@H]1CN(CCc2ccccc2F)CCN1C[C@H](C)O ZINC000248985726 371279751 /nfs/dbraw/zinc/27/97/51/371279751.db2.gz JVYYDVIZWSWMAF-GOEBONIOSA-N 0 3 294.414 2.145 10 0 CEAEHN Cc1oncc1CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000249280037 371308691 /nfs/dbraw/zinc/30/86/91/371308691.db2.gz NEJIVJBCGNVIQQ-UONOGXRCSA-N 0 3 250.342 2.110 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H]1CCCO ZINC000252210668 371434933 /nfs/dbraw/zinc/43/49/33/371434933.db2.gz WFQSEOWDCFKFLY-KFWWJZLASA-N 0 3 282.428 2.013 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CCCCO1 ZINC000252661375 371461870 /nfs/dbraw/zinc/46/18/70/371461870.db2.gz IYLCHNUOHQDQHL-RBSFLKMASA-N 0 3 252.402 2.114 10 0 CEAEHN CN1CC[C@@H](N)[C@H]1c1sccc1Br ZINC000252719871 371472841 /nfs/dbraw/zinc/47/28/41/371472841.db2.gz JDGQWIBTRQGDCI-SFYZADRCSA-N 0 3 261.188 2.215 10 0 CEAEHN CC(C)(C)[C@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261762121 371724082 /nfs/dbraw/zinc/72/40/82/371724082.db2.gz LVIVNCWNYBLUHG-LSDHHAIUSA-N 0 3 296.455 2.415 10 0 CEAEHN CCC[C@](C)(N)C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000262607580 371884245 /nfs/dbraw/zinc/88/42/45/371884245.db2.gz CBTDYSGYWKUDFP-RDJZCZTQSA-N 0 3 292.423 2.394 10 0 CEAEHN CCC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)CC(=O)[O-])CC1 ZINC000263520212 371940555 /nfs/dbraw/zinc/94/05/55/371940555.db2.gz QNBNJACQFIJSLO-ZIAGYGMSSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)CC(=O)[O-])CC1 ZINC000263520212 371940558 /nfs/dbraw/zinc/94/05/58/371940558.db2.gz QNBNJACQFIJSLO-ZIAGYGMSSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@@H](C)CN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263520212 371940565 /nfs/dbraw/zinc/94/05/65/371940565.db2.gz QNBNJACQFIJSLO-ZIAGYGMSSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@@H](C)CN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263520212 371940571 /nfs/dbraw/zinc/94/05/71/371940571.db2.gz QNBNJACQFIJSLO-ZIAGYGMSSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)CC(=O)[O-])CC1 ZINC000263520210 371940627 /nfs/dbraw/zinc/94/06/27/371940627.db2.gz QNBNJACQFIJSLO-UONOGXRCSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](C)C[N@H+]1CCC[C@@H](N(C)CC(=O)[O-])CC1 ZINC000263520210 371940637 /nfs/dbraw/zinc/94/06/37/371940637.db2.gz QNBNJACQFIJSLO-UONOGXRCSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](C)CN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263520210 371940641 /nfs/dbraw/zinc/94/06/41/371940641.db2.gz QNBNJACQFIJSLO-UONOGXRCSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](C)CN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263520210 371940649 /nfs/dbraw/zinc/94/06/49/371940649.db2.gz QNBNJACQFIJSLO-UONOGXRCSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@@H](C)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000643221350 372976611 /nfs/dbraw/zinc/97/66/11/372976611.db2.gz BMNUGIWJFMXSEI-CHWSQXEVSA-N 0 3 257.422 2.451 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000644089455 373401065 /nfs/dbraw/zinc/40/10/65/373401065.db2.gz YFOJDPVNMWIFGU-BXUZGUMPSA-N 0 3 276.380 2.179 10 0 CEAEHN COCc1nc(CNCC2CC(F)(F)C2)cs1 ZINC000644413803 373487167 /nfs/dbraw/zinc/48/71/67/373487167.db2.gz REMLYXUFCZKJAH-UHFFFAOYSA-N 0 3 262.325 2.424 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(C[C@@H](O)COC(C)(C)C)C2)c1 ZINC000247172299 220220260 /nfs/dbraw/zinc/22/02/60/220220260.db2.gz MZSLGBDUESFBRE-HUUCEWRRSA-N 0 3 295.427 2.004 10 0 CEAEHN CC(=O)c1nc(N2C[C@H](C)[C@H](N(C)C)C2)sc1C ZINC000384128539 375208129 /nfs/dbraw/zinc/20/81/29/375208129.db2.gz KUBRZLHNZMDMSG-GZMMTYOYSA-N 0 3 267.398 2.040 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(OC(F)F)cc1 ZINC000282285852 375448399 /nfs/dbraw/zinc/44/83/99/375448399.db2.gz IOJZNXZIGKDLJU-SKDRFNHKSA-N 0 3 284.306 2.045 10 0 CEAEHN N[C@@H](c1coc(Br)c1)C1CCOCC1 ZINC000306648730 376552153 /nfs/dbraw/zinc/55/21/53/376552153.db2.gz FAEUHTZAYJUSOO-SNVBAGLBSA-N 0 3 260.131 2.469 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1CCCN1CC1=CCCOC1 ZINC000093757762 249310746 /nfs/dbraw/zinc/31/07/46/249310746.db2.gz LAKNDQDOBQQLQR-CQSZACIVSA-N 0 3 296.411 2.322 10 0 CEAEHN CCOc1ccccc1OCCN1CCC[C@@H](O)[C@@H]1C ZINC000295859675 378333020 /nfs/dbraw/zinc/33/30/20/378333020.db2.gz DTWQLLHATNLXSJ-UONOGXRCSA-N 0 3 279.380 2.309 10 0 CEAEHN CCc1cnc(CN2CCN3CCCC[C@H]3C2)s1 ZINC000300419415 379171372 /nfs/dbraw/zinc/17/13/72/379171372.db2.gz VUSJDEOULQXUQM-LBPRGKRZSA-N 0 3 265.426 2.376 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@H]1CCO[C@H]1C ZINC000300625730 379177117 /nfs/dbraw/zinc/17/71/17/379177117.db2.gz MWLFFIKNGAOCLF-ZJIFWQFVSA-N 0 3 266.429 2.360 10 0 CEAEHN CNC(=O)[C@H](NCc1cc(F)cc2cccnc21)C(C)C ZINC000183685156 542293771 /nfs/dbraw/zinc/29/37/71/542293771.db2.gz PJCZDIZCLXGPBI-CQSZACIVSA-N 0 3 289.354 2.234 10 0 CEAEHN CCN1C(=O)CC[C@@H](N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000070985643 184574360 /nfs/dbraw/zinc/57/43/60/184574360.db2.gz WPCJVRYNULJCCN-DGCLKSJQSA-N 0 3 270.735 2.490 10 0 CEAEHN CCNCc1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000088912542 184614608 /nfs/dbraw/zinc/61/46/08/184614608.db2.gz SPRUXCFBGHVJPU-CYBMUJFWSA-N 0 3 296.436 2.217 10 0 CEAEHN CC[C@@H](C)CN(C)S(=O)(=O)c1cccc(CN)c1C ZINC000088953689 184615715 /nfs/dbraw/zinc/61/57/15/184615715.db2.gz SOFFOFOPTKOKCE-LLVKDONJSA-N 0 3 284.425 2.120 10 0 CEAEHN CN[C@H](C)[C@H](C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000081935768 177902469 /nfs/dbraw/zinc/90/24/69/177902469.db2.gz CQYLRYOLHBUECY-BDAKNGLRSA-N 0 3 295.326 2.476 10 0 CEAEHN CN[C@@H](C)[C@H](C)S(=O)(=O)c1ccc(C)cc1C ZINC000081922426 177895874 /nfs/dbraw/zinc/89/58/74/177895874.db2.gz GQBZBNHJXQWJIL-RYUDHWBXSA-N 0 3 255.383 2.074 10 0 CEAEHN CN[C@@H](C)[C@@H](C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000081920160 177894038 /nfs/dbraw/zinc/89/40/38/177894038.db2.gz KZKKKNNUSNFNFZ-DTWKUNHWSA-N 0 3 261.774 2.110 10 0 CEAEHN c1cncc(N2CC[C@H]3CN(Cc4ccncc4)C[C@H]3C2)c1 ZINC000253595376 256689274 /nfs/dbraw/zinc/68/92/74/256689274.db2.gz CPUHJROVHSSEBA-IRXDYDNUSA-N 0 3 294.402 2.435 10 0 CEAEHN O[C@H]1CCC[C@@H]1CCN1CCN(C2CCCC2)CC1 ZINC000093585242 184693288 /nfs/dbraw/zinc/69/32/88/184693288.db2.gz BHVNVZHXCLMJCB-ZBFHGGJFSA-N 0 3 266.429 2.098 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1ccc(CNCC(C)C)nc1 ZINC000094212015 184763660 /nfs/dbraw/zinc/76/36/60/184763660.db2.gz QFVSHVKEZCPXBQ-GFCCVEGCSA-N 0 3 280.368 2.158 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2nc3c(cccc3N)o2)CC1 ZINC000094542539 184815334 /nfs/dbraw/zinc/81/53/34/184815334.db2.gz BAYQZJFOJXAACA-GFCCVEGCSA-N 0 3 288.395 2.326 10 0 CEAEHN CCS(=O)(=O)CCCOc1ccc(F)cc1[C@H](C)N ZINC000094619994 184827447 /nfs/dbraw/zinc/82/74/47/184827447.db2.gz YCRDHDIWWXNCFD-JTQLQIEISA-N 0 3 289.372 2.049 10 0 CEAEHN CCN[C@@H](Cc1ncnn1CC)c1ccc(Cl)cn1 ZINC000094844512 184879180 /nfs/dbraw/zinc/87/91/80/184879180.db2.gz FOCDZOQZBMBQDX-LBPRGKRZSA-N 0 3 279.775 2.240 10 0 CEAEHN CC(=O)c1ccnc(N(CCN(C)C)CC(C)C)c1 ZINC000094997254 184911856 /nfs/dbraw/zinc/91/18/56/184911856.db2.gz QVINSCKIVRRVCB-UHFFFAOYSA-N 0 3 263.385 2.308 10 0 CEAEHN CCCNc1cc(CN2C[C@@H](C)[C@H](C(=O)OC)C2)ccn1 ZINC000095022146 184917454 /nfs/dbraw/zinc/91/74/54/184917454.db2.gz XVVOSVSPGXXZGG-TZMCWYRMSA-N 0 3 291.395 2.144 10 0 CEAEHN CO[C@@H](C)CNCc1cnc2c(cnn2C(C)C)c1 ZINC000191142976 130189586 /nfs/dbraw/zinc/18/95/86/130189586.db2.gz QFEGBEHASFXBFA-NSHDSACASA-N 0 3 262.357 2.137 10 0 CEAEHN C[C@@H]1CNCCN1c1c2nsnc2ccc1Cl ZINC000088128564 135052474 /nfs/dbraw/zinc/05/24/74/135052474.db2.gz DJRHJHHGSLMLIB-SSDOTTSWSA-N 0 3 268.773 2.143 10 0 CEAEHN CCCNCCS(=O)(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000089036068 135057671 /nfs/dbraw/zinc/05/76/71/135057671.db2.gz WJXFQNHADHECNG-ZDUSSCGKSA-N 0 3 296.436 2.015 10 0 CEAEHN CNCc1cc2ccccc2c(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090907735 135066573 /nfs/dbraw/zinc/06/65/73/135066573.db2.gz BPZVMVHBWVZSCN-GASCZTMLSA-N 0 3 283.375 2.322 10 0 CEAEHN CN(C)[C@H]1CCCN(c2ccc(F)cc2C=O)C1 ZINC000091392895 135068359 /nfs/dbraw/zinc/06/83/59/135068359.db2.gz GQTIFBICIAXTPR-ZDUSSCGKSA-N 0 3 250.317 2.169 10 0 CEAEHN CCNCc1cncc(N2CCc3ccccc3C2)n1 ZINC000091418711 135069321 /nfs/dbraw/zinc/06/93/21/135069321.db2.gz XUQAWLROYVPGSZ-UHFFFAOYSA-N 0 3 268.364 2.149 10 0 CEAEHN O[C@@H]1CCC[C@H]1CCN1CCN(c2ccccc2)CC1 ZINC000093584342 135081362 /nfs/dbraw/zinc/08/13/62/135081362.db2.gz GFVZILYFMGDYQF-DOTOQJQBSA-N 0 3 274.408 2.360 10 0 CEAEHN CC[C@@](C)(N)C(=O)N1CCSc2ccccc21 ZINC000094236990 135084537 /nfs/dbraw/zinc/08/45/37/135084537.db2.gz LSISMQPCBFBTPD-CYBMUJFWSA-N 0 3 250.367 2.253 10 0 CEAEHN CNCc1cnc(N2CCN3CCCC[C@@H]3C2)c(Cl)c1 ZINC000094443214 135088955 /nfs/dbraw/zinc/08/89/55/135088955.db2.gz SHJJCRRQBMPTKP-CYBMUJFWSA-N 0 3 294.830 2.129 10 0 CEAEHN Cc1cc2ncc(I)c-2c[nH]1 ZINC000014986169 394465479 /nfs/dbraw/zinc/46/54/79/394465479.db2.gz FHWCFWHRIYBHRT-UHFFFAOYSA-N 0 3 258.062 2.476 10 0 CEAEHN Cc1cc2[nH]cc(I)c2cn1 ZINC000014986169 394465482 /nfs/dbraw/zinc/46/54/82/394465482.db2.gz FHWCFWHRIYBHRT-UHFFFAOYSA-N 0 3 258.062 2.476 10 0 CEAEHN C[C@@H]1CCC[C@@H](C)C1NC(=O)NC[C@H]1CCCN1C ZINC000246210316 394511751 /nfs/dbraw/zinc/51/17/51/394511751.db2.gz NRBMQDWUEXTTBD-JHJVBQTASA-N 0 3 267.417 2.205 10 0 CEAEHN CC(C)NC(=N)Nc1cnn(Cc2ccccc2)c1 ZINC000307004014 394519740 /nfs/dbraw/zinc/51/97/40/394519740.db2.gz DLNSBLQLQPLATF-UHFFFAOYSA-N 0 3 257.341 2.276 10 0 CEAEHN CCOC(=O)[C@H](CC(C)C)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000248435860 394541054 /nfs/dbraw/zinc/54/10/54/394541054.db2.gz RUMJIFABNKOOTC-ILXRZTDVSA-N 0 3 284.444 2.283 10 0 CEAEHN CCC[C@@]1(C)CCCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261619988 394604234 /nfs/dbraw/zinc/60/42/34/394604234.db2.gz CDDDQMCTLNEOAG-ZBFHGGJFSA-N 0 3 282.428 2.169 10 0 CEAEHN NC(=O)C1(O)CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000336144572 394829882 /nfs/dbraw/zinc/82/98/82/394829882.db2.gz DNZGKWKCIUQRGY-JTQLQIEISA-N 0 3 276.327 2.174 10 0 CEAEHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1Cc1cc[nH]n1 ZINC000345108337 395062866 /nfs/dbraw/zinc/06/28/66/395062866.db2.gz SIQYEGGKHPENNU-KFWWJZLASA-N 0 3 263.385 2.315 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CC1=CCCOC1 ZINC000375850771 395101265 /nfs/dbraw/zinc/10/12/65/395101265.db2.gz SOVGTBCGNKGXBQ-HZPDHXFCSA-N 0 3 264.413 2.282 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000170874778 395093077 /nfs/dbraw/zinc/09/30/77/395093077.db2.gz QSLFKOHYLGVUBD-JTQLQIEISA-N 0 3 294.424 2.190 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000158247604 395041800 /nfs/dbraw/zinc/04/18/00/395041800.db2.gz LWUGTRHGNRWOFI-QWRGUYRKSA-N 0 3 291.317 2.006 10 0 CEAEHN C[C@H](c1ccccn1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000177189607 395147882 /nfs/dbraw/zinc/14/78/82/395147882.db2.gz IHSZQBJEOIDYLR-OLZOCXBDSA-N 0 3 256.353 2.366 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@@H]1c1ccncc1 ZINC000195203031 395462149 /nfs/dbraw/zinc/46/21/49/395462149.db2.gz YDOWMMWGAYLTMO-HZPDHXFCSA-N 0 3 278.396 2.396 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC000194625791 395444176 /nfs/dbraw/zinc/44/41/76/395444176.db2.gz RONRWJLFGOFHDV-CABCVRRESA-N 0 3 290.407 2.363 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000037768250 400119452 /nfs/dbraw/zinc/11/94/52/400119452.db2.gz IKXYHYXFRPPBGT-CQSZACIVSA-N 0 3 291.395 2.137 10 0 CEAEHN C[C@H](NC(=O)[C@H](N)CC(F)F)c1cc(F)ccc1F ZINC000388457084 400532889 /nfs/dbraw/zinc/53/28/89/400532889.db2.gz ZVUCIFHTAPSVLX-QUBYGPBYSA-N 0 3 278.249 2.125 10 0 CEAEHN CCOC[C@H]1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000081479252 286180297 /nfs/dbraw/zinc/18/02/97/286180297.db2.gz BCNYNUWPEVWNAC-LSDHHAIUSA-N 0 3 299.459 2.031 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC000191608702 153183130 /nfs/dbraw/zinc/18/31/30/153183130.db2.gz MZEKLACXSRNDSH-MRXNPFEDSA-N 0 3 287.407 2.410 10 0 CEAEHN C[C@H]1CN(CCN2CCC[C@@H]2c2ccco2)CCO1 ZINC000192741820 153216848 /nfs/dbraw/zinc/21/68/48/153216848.db2.gz RTWAFNQNEAAMNI-UONOGXRCSA-N 0 3 264.369 2.137 10 0 CEAEHN Cc1cnn([C@H]2CCCN(CCO[C@@H]3CCCCO3)C2)c1 ZINC000193051135 153226782 /nfs/dbraw/zinc/22/67/82/153226782.db2.gz JEAITAJENIRMGJ-JKSUJKDBSA-N 0 3 293.411 2.372 10 0 CEAEHN CC(C)C(CNC(=O)N1CCN2CCC[C@@H]2C1)C(C)C ZINC000194370388 153253458 /nfs/dbraw/zinc/25/34/58/153253458.db2.gz MAHQHYXSIGWWKL-CQSZACIVSA-N 0 3 281.444 2.404 10 0 CEAEHN CCc1noc([C@H](C)N2CCC(c3ccn[nH]3)CC2)n1 ZINC000195507734 153290542 /nfs/dbraw/zinc/29/05/42/153290542.db2.gz YYCPSGZLEWGSEI-JTQLQIEISA-N 0 3 275.356 2.296 10 0 CEAEHN Cc1cccc(CN2C[C@H]3CCCCN3C[C@H]2C)n1 ZINC000227711206 153349819 /nfs/dbraw/zinc/34/98/19/153349819.db2.gz NAMMOCIQNAIJEN-GDBMZVCRSA-N 0 3 259.397 2.449 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H](OC)C(C)(C)C ZINC000245428287 153493601 /nfs/dbraw/zinc/49/36/01/153493601.db2.gz XALUSNGRLOUBNY-UONOGXRCSA-N 0 3 299.459 2.173 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2ccc3ccccc3c2)n1 ZINC000263164875 154027692 /nfs/dbraw/zinc/02/76/92/154027692.db2.gz FDHWSERIODMTKY-HNNXBMFYSA-N 0 3 294.358 2.466 10 0 CEAEHN Cc1ccccc1C1(c2nc([C@H]3CNCCN3C)no2)CC1 ZINC000263208334 154034944 /nfs/dbraw/zinc/03/49/44/154034944.db2.gz JZMVOOOYIOXDLH-CQSZACIVSA-N 0 3 298.390 2.034 10 0 CEAEHN C[C@@H](Cc1nc([C@@H]2CNCCN2C)no1)C1CCCCC1 ZINC000263234249 154042075 /nfs/dbraw/zinc/04/20/75/154042075.db2.gz NTRYTSJVPPULPR-JSGCOSHPSA-N 0 3 292.427 2.405 10 0 CEAEHN CCS[C@@H](c1nc([C@H]2CNCCN2C)no1)C(C)C ZINC000263245714 154042516 /nfs/dbraw/zinc/04/25/16/154042516.db2.gz PFXDSUWNMRNAIC-GHMZBOCLSA-N 0 3 284.429 2.096 10 0 CEAEHN CN1CCNC[C@@H]1c1noc([C@H]2CCCc3ccccc32)n1 ZINC000263278645 154047140 /nfs/dbraw/zinc/04/71/40/154047140.db2.gz TWKXQGJHSSRXKK-LSDHHAIUSA-N 0 3 298.390 2.114 10 0 CEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(NC[C@@H]2CC=CCC2)C1 ZINC000263492323 154106752 /nfs/dbraw/zinc/10/67/52/154106752.db2.gz IVVAFMWYSSQGEQ-IUDNXUCKSA-N 0 3 292.423 2.260 10 0 CEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC[C@@H]2CC=CCC2)C1 ZINC000263492323 154106757 /nfs/dbraw/zinc/10/67/57/154106757.db2.gz IVVAFMWYSSQGEQ-IUDNXUCKSA-N 0 3 292.423 2.260 10 0 CEAEHN O=C([O-])CN(CC1CC1)C1CC([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000263492323 154106764 /nfs/dbraw/zinc/10/67/64/154106764.db2.gz IVVAFMWYSSQGEQ-IUDNXUCKSA-N 0 3 292.423 2.260 10 0 CEAEHN C[C@H](CN(C)Cc1ccccc1)Nc1nccnc1N(C)C ZINC000302183999 154186332 /nfs/dbraw/zinc/18/63/32/154186332.db2.gz GJPZTZKOJATTOS-CQSZACIVSA-N 0 3 299.422 2.475 10 0 CEAEHN Clc1cnc(NCCCNCc2cccnc2)nc1 ZINC000168056692 162363315 /nfs/dbraw/zinc/36/33/15/162363315.db2.gz HOSVXEBDZJGLBB-UHFFFAOYSA-N 0 3 277.759 2.117 10 0 CEAEHN CN(C)c1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171885529 165051268 /nfs/dbraw/zinc/05/12/68/165051268.db2.gz QJDQZKJYAFIIBE-HNNXBMFYSA-N 0 3 288.395 2.065 10 0 CEAEHN Cc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)c(C)c1 ZINC000171902982 165053944 /nfs/dbraw/zinc/05/39/44/165053944.db2.gz XXYRSUCVWJMCTE-MRXNPFEDSA-N 0 3 287.407 2.293 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccnc1Cl ZINC000175039092 165123516 /nfs/dbraw/zinc/12/35/16/165123516.db2.gz WCNBSOAXEPHFFJ-VXGBXAGGSA-N 0 3 293.798 2.434 10 0 CEAEHN C[C@H](c1ncc(C(C)(C)C)o1)N1CCO[C@H](CN(C)C)C1 ZINC000175205235 165129665 /nfs/dbraw/zinc/12/96/65/165129665.db2.gz BHXUUDYOCMRESD-CHWSQXEVSA-N 0 3 295.427 2.296 10 0 CEAEHN CCCC[C@H](CCC)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000175984175 165151971 /nfs/dbraw/zinc/15/19/71/165151971.db2.gz WYYMRQQRVQVQSS-GJZGRUSLSA-N 0 3 299.459 2.317 10 0 CEAEHN CCc1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177275084 165193454 /nfs/dbraw/zinc/19/34/54/165193454.db2.gz NXIHMIQEIZHTBY-MAUKXSAKSA-N 0 3 288.435 2.402 10 0 CEAEHN CCc1noc([C@@H](C)N(C)C[C@@H]2CCCN2CC)n1 ZINC000177710854 165207695 /nfs/dbraw/zinc/20/76/95/165207695.db2.gz WOEKWPSFNSQNGS-NEPJUHHUSA-N 0 3 266.389 2.109 10 0 CEAEHN C[C@H]1CC[C@H](C(=O)N(CCN(C)C)C2CCCCC2)O1 ZINC000178260293 165226776 /nfs/dbraw/zinc/22/67/76/165226776.db2.gz CPLIDMMVUCKWOA-DZGCQCFKSA-N 0 3 282.428 2.277 10 0 CEAEHN CCS[C@H](C)c1noc(CN2CCN3CCC[C@@H]3C2)n1 ZINC000178446653 165241663 /nfs/dbraw/zinc/24/16/63/165241663.db2.gz ZOOPEZBGHQVXOU-VXGBXAGGSA-N 0 3 296.440 2.164 10 0 CEAEHN Cc1ccc2[nH]c3c(ncnc3NCCN(C)C)c2c1 ZINC000005033346 170058803 /nfs/dbraw/zinc/05/88/03/170058803.db2.gz BAKMZCRWKFNYMP-UHFFFAOYSA-N 0 3 269.352 2.393 10 0 CEAEHN Cc1ccc(F)cc1CN1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284337242 196033414 /nfs/dbraw/zinc/03/34/14/196033414.db2.gz BYOWABIPLBYZHN-JKSUJKDBSA-N 0 3 278.371 2.039 10 0 CEAEHN CO[C@@H]1C[C@@H](CO)N(Cc2csc3ccccc23)C1 ZINC000284458618 196061608 /nfs/dbraw/zinc/06/16/08/196061608.db2.gz CJDGNJPFKKEWKK-QWHCGFSZSA-N 0 3 277.389 2.483 10 0 CEAEHN Cc1cc(C)n(C[C@H](N)c2ccc(C)c(C)c2)c(=O)n1 ZINC000019274778 170768873 /nfs/dbraw/zinc/76/88/73/170768873.db2.gz NHRGVJDOXUPXIM-HNNXBMFYSA-N 0 3 271.364 2.177 10 0 CEAEHN CCc1ccc(N2C(=O)C[C@H](NC3CCCC3)C2=O)cc1 ZINC000020192405 171058003 /nfs/dbraw/zinc/05/80/03/171058003.db2.gz WKOGNPNJXITZLC-HNNXBMFYSA-N 0 3 286.375 2.413 10 0 CEAEHN CCOc1cc2c(cc1CN[C@@H](CC)CO)O[C@@H](C)C2 ZINC000020194376 171059866 /nfs/dbraw/zinc/05/98/66/171059866.db2.gz OWQWLIXHWNUUBE-FZMZJTMJSA-N 0 3 279.380 2.269 10 0 CEAEHN CCCN(C)[C@@H](CN)c1cc(OC)ccc1OC ZINC000020226460 171091030 /nfs/dbraw/zinc/09/10/30/171091030.db2.gz KBRTWVGMMSCTBH-ZDUSSCGKSA-N 0 3 252.358 2.045 10 0 CEAEHN CC(C)Cc1ccc([C@@H](N)CN2CCOC2=O)cc1 ZINC000020262204 171119635 /nfs/dbraw/zinc/11/96/35/171119635.db2.gz ADMDMJUAZZVPBH-AWEZNQCLSA-N 0 3 262.353 2.337 10 0 CEAEHN C[C@H](NCCc1ccccc1F)C(=O)N1CCCCC1 ZINC000020302948 171140148 /nfs/dbraw/zinc/14/01/48/171140148.db2.gz CXIUNCDBUDKEDW-ZDUSSCGKSA-N 0 3 278.371 2.359 10 0 CEAEHN CC(=O)Nc1cccc(N[C@@H]2CN3CCC2CC3)c1 ZINC000020440855 171204480 /nfs/dbraw/zinc/20/44/80/171204480.db2.gz XVMGBQAOXATUAZ-OAHLLOKOSA-N 0 3 259.353 2.151 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccc1CN)N1CCC[C@@H](C)C1 ZINC000022154721 171361727 /nfs/dbraw/zinc/36/17/27/171361727.db2.gz OFRKJKUYWATLSY-OLZOCXBDSA-N 0 3 275.396 2.204 10 0 CEAEHN C[C@H](C(=O)Nc1ccccc1CN)N1CCC(C)CC1 ZINC000022155321 171361813 /nfs/dbraw/zinc/36/18/13/171361813.db2.gz HHUCCTTVLCHESB-CYBMUJFWSA-N 0 3 275.396 2.204 10 0 CEAEHN C[C@@H](C(=O)Nc1ccccc1CN)N1CCCC[C@@H]1C ZINC000022154777 171362073 /nfs/dbraw/zinc/36/20/73/171362073.db2.gz AAQNNPSJVAEWLA-STQMWFEESA-N 0 3 275.396 2.347 10 0 CEAEHN CCN(CC)[C@@H](C)C(=O)Nc1ccc(F)cc1N ZINC000022155660 171362787 /nfs/dbraw/zinc/36/27/87/171362787.db2.gz PJXKZCBIAQSILC-VIFPVBQESA-N 0 3 253.321 2.077 10 0 CEAEHN COc1ccc(OCC(=O)Nc2ccccc2CN)cc1 ZINC000022164936 171365174 /nfs/dbraw/zinc/36/51/74/171365174.db2.gz MMWWJAXBNFFQQK-UHFFFAOYSA-N 0 3 286.331 2.171 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000022174317 171369239 /nfs/dbraw/zinc/36/92/39/171369239.db2.gz QFKPWFZQQNXHCT-MFKMUULPSA-N 0 3 288.313 2.426 10 0 CEAEHN CN(C1CCCCC1)S(=O)(=O)c1ccccc1CN ZINC000022216640 171375719 /nfs/dbraw/zinc/37/57/19/171375719.db2.gz SGDPSZVLAKHEMU-UHFFFAOYSA-N 0 3 282.409 2.099 10 0 CEAEHN Cc1sc2[nH]c(CN[C@@H](C)C3CC3)nc(=O)c2c1C ZINC000035142371 172009441 /nfs/dbraw/zinc/00/94/41/172009441.db2.gz DBSYFVGBCZKXGU-QMMMGPOBSA-N 0 3 277.393 2.490 10 0 CEAEHN CC(C)CNC(=O)[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000035180613 172034537 /nfs/dbraw/zinc/03/45/37/172034537.db2.gz BBXIMHIPCQZANR-IUODEOHRSA-N 0 3 260.381 2.424 10 0 CEAEHN COC(=O)c1c2c(sc1NC(=O)CC(C)C)CNCC2 ZINC000035216852 172058099 /nfs/dbraw/zinc/05/80/99/172058099.db2.gz CHTHRNKOAPKONZ-UHFFFAOYSA-N 0 3 296.392 2.165 10 0 CEAEHN CCC1(CC)CC(=O)N(c2ccccc2CN)C1=O ZINC000035281163 172099577 /nfs/dbraw/zinc/09/95/77/172099577.db2.gz DQYRASATUYDIBD-UHFFFAOYSA-N 0 3 260.337 2.215 10 0 CEAEHN C[C@@H](N)c1ccc2ccccc2c1OC[C@@H](C)C(N)=O ZINC000035427189 172194772 /nfs/dbraw/zinc/19/47/72/172194772.db2.gz MRRUWZHHLOAMCN-GHMZBOCLSA-N 0 3 272.348 2.360 10 0 CEAEHN CC(C)NCc1c(N2CCSCC2)nc2sccn12 ZINC000035430001 172198444 /nfs/dbraw/zinc/19/84/44/172198444.db2.gz YXFPJQMZTSCESS-UHFFFAOYSA-N 0 3 296.465 2.447 10 0 CEAEHN CCNC(=O)COc1ccc(C)cc1[C@H](C)NCC ZINC000035629784 172310830 /nfs/dbraw/zinc/31/08/30/172310830.db2.gz RIJLIVKLIOQGOC-LBPRGKRZSA-N 0 3 264.369 2.180 10 0 CEAEHN C[C@H](O)c1cc(F)ccc1N1CCCN(C)CC1 ZINC000035631488 172313514 /nfs/dbraw/zinc/31/35/14/172313514.db2.gz KEAHYIFFVMQNIW-NSHDSACASA-N 0 3 252.333 2.021 10 0 CEAEHN C[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1ccccn1 ZINC000035694942 172363961 /nfs/dbraw/zinc/36/39/61/172363961.db2.gz SBYAHDFEPDESFF-GXTWGEPZSA-N 0 3 269.348 2.349 10 0 CEAEHN CCCN[C@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761343 172399695 /nfs/dbraw/zinc/39/96/95/172399695.db2.gz VESRIGQSVZHOQE-LBPRGKRZSA-N 0 3 271.357 2.434 10 0 CEAEHN CC(C)(C)n1cc(CN[C@@H]2CCC[C@H](O)C2)cn1 ZINC000037321420 173122142 /nfs/dbraw/zinc/12/21/42/173122142.db2.gz RBEANCZWTVALDY-OLZOCXBDSA-N 0 3 251.374 2.031 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000037395348 173176019 /nfs/dbraw/zinc/17/60/19/173176019.db2.gz STBSWTXPXGAWHR-QMMMGPOBSA-N 0 3 284.743 2.395 10 0 CEAEHN Cc1nc([C@@H](C)N[C@H]2CN3CCC2CC3)cs1 ZINC000037507686 173241983 /nfs/dbraw/zinc/24/19/83/173241983.db2.gz IKHHLQXXPFMAEZ-SKDRFNHKSA-N 0 3 251.399 2.196 10 0 CEAEHN CCCN[C@](C)(C(N)=O)c1ccc(OCCC)cc1 ZINC000037513831 173244896 /nfs/dbraw/zinc/24/48/96/173244896.db2.gz AZSGQQADNZQHRW-HNNXBMFYSA-N 0 3 264.369 2.176 10 0 CEAEHN CC(C)[C@@H](NCCCS(C)(=O)=O)c1cccs1 ZINC000038047641 174058137 /nfs/dbraw/zinc/05/81/37/174058137.db2.gz MMEPIUFAZHPOTF-GFCCVEGCSA-N 0 3 275.439 2.470 10 0 CEAEHN CC[C@H](C)N[C@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000038065641 174077055 /nfs/dbraw/zinc/07/70/55/174077055.db2.gz RXMDODWMIRMXEH-ZANVPECISA-N 0 3 254.761 2.429 10 0 CEAEHN NCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000038981498 174160911 /nfs/dbraw/zinc/16/09/11/174160911.db2.gz ZRLXAWPHBCZDBU-UHFFFAOYSA-N 0 3 288.725 2.382 10 0 CEAEHN N[C@@H]1c2cc(Br)ccc2CCC[C@H]1O ZINC000039941519 174175437 /nfs/dbraw/zinc/17/54/37/174175437.db2.gz BZTCUTHVQHKBPV-GHMZBOCLSA-N 0 3 256.143 2.146 10 0 CEAEHN CCC(CC)N(CCOC)C(=O)[C@@H](N)C(C)(C)C ZINC000040467812 174276416 /nfs/dbraw/zinc/27/64/16/174276416.db2.gz ARXGFGGCDLWAIJ-GFCCVEGCSA-N 0 3 258.406 2.023 10 0 CEAEHN CCN1CCC[C@H](NCc2cccc(OC)c2OC)C1 ZINC000040502361 174299240 /nfs/dbraw/zinc/29/92/40/174299240.db2.gz KUSDNCMWLOZJHQ-AWEZNQCLSA-N 0 3 278.396 2.278 10 0 CEAEHN CCN1CCC[C@H](NCc2cnc3ccccc3n2)C1 ZINC000040502835 174299256 /nfs/dbraw/zinc/29/92/56/174299256.db2.gz IHLYQEPBWLDOBO-ZDUSSCGKSA-N 0 3 270.380 2.204 10 0 CEAEHN CCC[C@@](C)(N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519137 174308835 /nfs/dbraw/zinc/30/88/35/174308835.db2.gz CSCQPQMETBGJGJ-NOZJJQNGSA-N 0 3 269.414 2.455 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccccc2OCC(C)C)C1 ZINC000040634340 174360257 /nfs/dbraw/zinc/36/02/57/174360257.db2.gz AATNXALPLWFROP-GXTWGEPZSA-N 0 3 292.379 2.037 10 0 CEAEHN Cn1ccnc1CCN[C@@H]1CCOc2ccccc21 ZINC000040638879 174363171 /nfs/dbraw/zinc/36/31/71/174363171.db2.gz GMKIMTJTCZTQCE-CYBMUJFWSA-N 0 3 257.337 2.076 10 0 CEAEHN CC[C@H](C)N[C@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666552 174366178 /nfs/dbraw/zinc/36/61/78/174366178.db2.gz VFMDHZNDAXKHSO-FZMZJTMJSA-N 0 3 264.369 2.388 10 0 CEAEHN CC(C)Oc1cccc([C@@H](CO)NC[C@H]2CCCO2)c1 ZINC000040666841 174366303 /nfs/dbraw/zinc/36/63/03/174366303.db2.gz RFUFEVAXYPMLIN-HZPDHXFCSA-N 0 3 279.380 2.276 10 0 CEAEHN CCOC1CCN([C@H](CN)c2c(F)cccc2F)CC1 ZINC000040689128 174375662 /nfs/dbraw/zinc/37/56/62/174375662.db2.gz DZECWLXAMSIOFN-CQSZACIVSA-N 0 3 284.350 2.466 10 0 CEAEHN CCOC1CCN([C@H](CN)c2ccc(C)o2)CC1 ZINC000040689118 174375940 /nfs/dbraw/zinc/37/59/40/174375940.db2.gz CWCBNAINTIQPOL-CYBMUJFWSA-N 0 3 252.358 2.089 10 0 CEAEHN CN1CCC[C@H](Nc2ccc(N)c3ncccc23)C1 ZINC000040715778 174382699 /nfs/dbraw/zinc/38/26/99/174382699.db2.gz DDZRQQUBFILBFC-NSHDSACASA-N 0 3 256.353 2.323 10 0 CEAEHN CN1CCC[C@H](Nc2ccc(N)c(OC(C)(C)C)n2)C1 ZINC000040715769 174382784 /nfs/dbraw/zinc/38/27/84/174382784.db2.gz YTSHHABBHQKAPP-NSHDSACASA-N 0 3 278.400 2.347 10 0 CEAEHN Cc1nn(C[C@H](N)c2ccc3c(c2)OCO3)c(C)c1C ZINC000040729698 174388073 /nfs/dbraw/zinc/38/80/73/174388073.db2.gz SVJCBFIBPYOAKG-ZDUSSCGKSA-N 0 3 273.336 2.237 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CCCC1)c1ccc(F)cc1 ZINC000040804576 174409608 /nfs/dbraw/zinc/40/96/08/174409608.db2.gz PIPFMXGYGINOBS-SNVBAGLBSA-N 0 3 250.317 2.274 10 0 CEAEHN COc1ccc(CN[C@@H]2CCC[C@H](O)C2)c(F)c1 ZINC000404594070 414788625 /nfs/dbraw/zinc/78/86/25/414788625.db2.gz OIGUFTIGAMXPHF-NEPJUHHUSA-N 0 3 253.317 2.227 10 0 CEAEHN CC(C)(N)c1cn(CCSc2ccccc2)nn1 ZINC000070118387 414766438 /nfs/dbraw/zinc/76/64/38/414766438.db2.gz HAJQNDXUTIRRFS-UHFFFAOYSA-N 0 3 262.382 2.264 10 0 CEAEHN CN(C(=O)Cc1ccc(Cl)cc1)[C@H](CN)C(F)(F)F ZINC000662974998 414814559 /nfs/dbraw/zinc/81/45/59/414814559.db2.gz CQWHAXDKKAZEQJ-SNVBAGLBSA-N 0 3 294.704 2.231 10 0 CEAEHN Cc1cc(C)cc(C(=O)N(C)[C@H](CN)C(F)(F)F)c1 ZINC000662976355 414815263 /nfs/dbraw/zinc/81/52/63/414815263.db2.gz OFKRCTBGVALZSQ-LLVKDONJSA-N 0 3 274.286 2.265 10 0 CEAEHN CN(C(=O)c1ccc2c(c1)CCC2)[C@@H](CN)C(F)(F)F ZINC000662976704 414816837 /nfs/dbraw/zinc/81/68/37/414816837.db2.gz HIJZYRFPCNHYHL-LBPRGKRZSA-N 0 3 286.297 2.137 10 0 CEAEHN CCCC[C@@H](C)C(=O)N(C)[C@@H](CN)C(F)(F)F ZINC000662984985 414818272 /nfs/dbraw/zinc/81/82/72/414818272.db2.gz QCIUMRLMDUHTTN-BDAKNGLRSA-N 0 3 254.296 2.161 10 0 CEAEHN CCNC(=O)CN(CC)[C@@H](c1ccc(F)cc1)[C@@H](N)CC ZINC000042915357 174914838 /nfs/dbraw/zinc/91/48/38/174914838.db2.gz KEWLNXQRAQSJDR-HOCLYGCPSA-N 0 3 295.402 2.062 10 0 CEAEHN CCCN(CC(=O)N(C)C)[C@H](CN)c1ccccc1Cl ZINC000043052396 174960605 /nfs/dbraw/zinc/96/06/05/174960605.db2.gz VJXINRDDFWCELZ-CQSZACIVSA-N 0 3 297.830 2.140 10 0 CEAEHN CCCN(CC(=O)N(C)C)[C@H](c1ccc(C)s1)[C@@H](C)N ZINC000043242713 174990245 /nfs/dbraw/zinc/99/02/45/174990245.db2.gz RWIVSABGJPBISB-DOMZBBRYSA-N 0 3 297.468 2.245 10 0 CEAEHN CCN[C@@H](c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000043300811 175001258 /nfs/dbraw/zinc/00/12/58/175001258.db2.gz BAADVFPLMYDXKI-TVQRCGJNSA-N 0 3 289.347 2.050 10 0 CEAEHN CCN[C@@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300907 175001359 /nfs/dbraw/zinc/00/13/59/175001359.db2.gz BNVXDJIKDOLZID-AAEUAGOBSA-N 0 3 287.812 2.425 10 0 CEAEHN CCN[C@H](c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300998 175001497 /nfs/dbraw/zinc/00/14/97/175001497.db2.gz GDFNNMLHEGKANM-OCCSQVGLSA-N 0 3 267.394 2.080 10 0 CEAEHN CCN[C@@H](c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300785 175001647 /nfs/dbraw/zinc/00/16/47/175001647.db2.gz DRIHAVOIFZVQPZ-HIFRSBDPSA-N 0 3 297.420 2.171 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1cccc(C)c1C ZINC000043314698 175004802 /nfs/dbraw/zinc/00/48/02/175004802.db2.gz VRNFQDABXMXNDI-ZBFHGGJFSA-N 0 3 262.397 2.414 10 0 CEAEHN COc1ccc(Cl)c(NC(=O)[C@@H](N)C(C)C)c1 ZINC000043318558 175005541 /nfs/dbraw/zinc/00/55/41/175005541.db2.gz DMQCARHTBVOQHE-NSHDSACASA-N 0 3 256.733 2.270 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043334343 175010744 /nfs/dbraw/zinc/01/07/44/175010744.db2.gz CMHYSWVWWGVJJD-CZXHOFHRSA-N 0 3 252.358 2.167 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccco1)N(C)C[C@@H]1CCCO1 ZINC000043335724 175011382 /nfs/dbraw/zinc/01/13/82/175011382.db2.gz HJOMVIMIMILCNJ-SCRDCRAPSA-N 0 3 252.358 2.169 10 0 CEAEHN COc1cccc(CO[C@H](CN)c2ccccn2)c1 ZINC000043343046 175015620 /nfs/dbraw/zinc/01/56/20/175015620.db2.gz JOUFCICCSLWJTQ-OAHLLOKOSA-N 0 3 258.321 2.307 10 0 CEAEHN NC[C@@H](c1ccncc1)N1CCc2sccc2C1 ZINC000043352936 175020449 /nfs/dbraw/zinc/02/04/49/175020449.db2.gz TXHMRUVVRMFRGQ-ZDUSSCGKSA-N 0 3 259.378 2.201 10 0 CEAEHN COC1CCN([C@@H](c2ccc(C)o2)[C@H](C)N)CC1 ZINC000043364100 175024762 /nfs/dbraw/zinc/02/47/62/175024762.db2.gz KXOIUGQGILYZPV-SMDDNHRTSA-N 0 3 252.358 2.087 10 0 CEAEHN Fc1cc(F)cc(-c2noc([C@@H]3CCCN3)n2)c1 ZINC000043387521 175033120 /nfs/dbraw/zinc/03/31/20/175033120.db2.gz NXOCFYLGQNMPIC-JTQLQIEISA-N 0 3 251.236 2.439 10 0 CEAEHN CCOC(=O)[C@@H](NCCN(C)C)c1cc(C)cc(C)c1 ZINC000043394935 175035755 /nfs/dbraw/zinc/03/57/55/175035755.db2.gz BSULRTVRYGDXCA-HNNXBMFYSA-N 0 3 278.396 2.059 10 0 CEAEHN CCN[C@H](CN(C)CC)c1ccc2c(c1)OCO2 ZINC000043820440 175113589 /nfs/dbraw/zinc/11/35/89/175113589.db2.gz ILRGUIKXXKAZON-GFCCVEGCSA-N 0 3 250.342 2.018 10 0 CEAEHN CCCN(C)C[C@H](NC)c1cc(OC)ccc1OC ZINC000043885881 175116825 /nfs/dbraw/zinc/11/68/25/175116825.db2.gz KLDLZUMQZNMYAB-AWEZNQCLSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@@H](CN1CCOC(C)(C)C1)c1ccccc1OC ZINC000043897829 175120653 /nfs/dbraw/zinc/12/06/53/175120653.db2.gz PXEQHAUJCZNMNY-HNNXBMFYSA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N1CCOCC1(C)C ZINC000043917129 175125594 /nfs/dbraw/zinc/12/55/94/175125594.db2.gz KMDQYBRSZZLHDL-GOEBONIOSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](CN1CCOCC1(C)C)c1ccccc1OC ZINC000043916643 175125839 /nfs/dbraw/zinc/12/58/39/175125839.db2.gz DDJCMJLWNZUIHB-AWEZNQCLSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N(C)C[C@@H]1CCCCO1 ZINC000043966486 175127916 /nfs/dbraw/zinc/12/79/16/175127916.db2.gz YBKHZTAMBXGAPF-LXZKKBNFSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@H](CN(CCOC)C1CC1)c1ccccc1OC ZINC000043969647 175130422 /nfs/dbraw/zinc/13/04/22/175130422.db2.gz XKZPWHLDWUBKMV-OAHLLOKOSA-N 0 3 278.396 2.067 10 0 CEAEHN C[C@H](CN1CCCC1=O)N[C@@H]1CCCc2cc(O)ccc21 ZINC000044747389 175243095 /nfs/dbraw/zinc/24/30/95/175243095.db2.gz IODGUQDFIYYSJM-MLGOLLRUSA-N 0 3 288.391 2.370 10 0 CEAEHN Cc1ccc(C(N)=S)c(NC[C@@H](C)N2CCCCC2)n1 ZINC000045010089 175289345 /nfs/dbraw/zinc/28/93/45/175289345.db2.gz MHLJHVYCYCMWGY-GFCCVEGCSA-N 0 3 292.452 2.311 10 0 CEAEHN CCCNC(=O)CCN[C@@H]1CSCc2ccccc21 ZINC000045072931 175302352 /nfs/dbraw/zinc/30/23/52/175302352.db2.gz UZAGANLGCRZSTR-CQSZACIVSA-N 0 3 278.421 2.480 10 0 CEAEHN C[C@@](N)(C(=O)N1CCC[C@@H]1C1CCCC1)C1CC1 ZINC000045088358 175304551 /nfs/dbraw/zinc/30/45/51/175304551.db2.gz MPSZODUUSMUHIR-HIFRSBDPSA-N 0 3 250.386 2.295 10 0 CEAEHN C[C@@H](CN1C(=S)N=NC1c1ccccc1)N(C)C ZINC000045108462 175308730 /nfs/dbraw/zinc/30/87/30/175308730.db2.gz RXPVWDTVFUZQLH-JTQLQIEISA-N 0 3 262.382 2.184 10 0 CEAEHN C[C@H](N[C@@H]1CC1(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000045116625 175310915 /nfs/dbraw/zinc/31/09/15/175310915.db2.gz UMKCSKOETFZFHV-TVQRCGJNSA-N 0 3 260.337 2.467 10 0 CEAEHN CC[C@H](NC)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138175 175314652 /nfs/dbraw/zinc/31/46/52/175314652.db2.gz SJTDSYQBEAIXJS-UONOGXRCSA-N 0 3 296.436 2.434 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c([C@@H](N)CC(C)C)n1 ZINC000045169363 175319806 /nfs/dbraw/zinc/31/98/06/175319806.db2.gz UKSRZHVFWOLGSO-NSHDSACASA-N 0 3 261.373 2.473 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c([C@@](C)(N)C2CC2)n1 ZINC000045169475 175320109 /nfs/dbraw/zinc/32/01/09/175320109.db2.gz VNPZHFDWVTYNMG-AWEZNQCLSA-N 0 3 259.357 2.011 10 0 CEAEHN CCC[C@@](C)(N)c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169529 175320146 /nfs/dbraw/zinc/32/01/46/175320146.db2.gz XVVLXWASOSWVHH-CQSZACIVSA-N 0 3 261.373 2.401 10 0 CEAEHN CC[N@H+](CC[C@@](C)(NC)C(=O)[O-])C1CCCCC1 ZINC000045224100 175331929 /nfs/dbraw/zinc/33/19/29/175331929.db2.gz ZRHVHXODQXORRR-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CC[N@@H+](CC[C@@](C)(NC)C(=O)[O-])C1CCCCC1 ZINC000045224100 175331931 /nfs/dbraw/zinc/33/19/31/175331931.db2.gz ZRHVHXODQXORRR-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000045224540 175333030 /nfs/dbraw/zinc/33/30/30/175333030.db2.gz ONZAFVLGKPZDNV-IJEWVQPXSA-N 0 3 284.444 2.284 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCCCCC1)NC(C)C ZINC000045228800 175334278 /nfs/dbraw/zinc/33/42/78/175334278.db2.gz QRUOKHBYASHFIN-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CCCN[C@](CN(CC)C(C)C)(C(N)=O)c1ccccc1 ZINC000045265418 175338259 /nfs/dbraw/zinc/33/82/59/175338259.db2.gz UBZVVVKOKMXKDO-KRWDZBQOSA-N 0 3 291.439 2.097 10 0 CEAEHN CCOC(=O)[C@@](N)(CN(C)C1CCCC1)c1ccccc1 ZINC000045266058 175338856 /nfs/dbraw/zinc/33/88/56/175338856.db2.gz IGOMGOJRKPPYTG-QGZVFWFLSA-N 0 3 290.407 2.278 10 0 CEAEHN CCCCCN(C)C[C@](N)(C(=O)OC)c1ccccc1 ZINC000045268062 175339611 /nfs/dbraw/zinc/33/96/11/175339611.db2.gz XTAWQEKKHXYEGN-MRXNPFEDSA-N 0 3 278.396 2.136 10 0 CEAEHN CCCCCN(C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045268074 175340239 /nfs/dbraw/zinc/34/02/39/175340239.db2.gz HMXVIOJDTMWSCP-QGZVFWFLSA-N 0 3 292.423 2.396 10 0 CEAEHN CCCCCN(C)C[C@@](C)(NC(C)C)C(=O)OCC ZINC000045268164 175340584 /nfs/dbraw/zinc/34/05/84/175340584.db2.gz MPKALNRKAHVVAG-OAHLLOKOSA-N 0 3 272.433 2.428 10 0 CEAEHN COC(=O)[C@](C)(CN(C)[C@@H](C)CC(C)C)NC(C)C ZINC000045279968 175349957 /nfs/dbraw/zinc/34/99/57/175349957.db2.gz IKTUMMKMOFHGPK-ZFWWWQNUSA-N 0 3 272.433 2.283 10 0 CEAEHN CCCN[C@@H](CN(CCC)CCC)C(=O)OCC ZINC000045378450 175367397 /nfs/dbraw/zinc/36/73/97/175367397.db2.gz FPKDTWXIZUNPHC-ZDUSSCGKSA-N 0 3 258.406 2.040 10 0 CEAEHN CCOC(=O)[C@@H](CN1[C@@H](C)CCC[C@@H]1C)NC(C)C ZINC000045379504 175368278 /nfs/dbraw/zinc/36/82/78/175368278.db2.gz ZTBQBFXDRLBDAY-MELADBBJSA-N 0 3 270.417 2.179 10 0 CEAEHN CCCCN(CCCC)C[C@H](NCC)C(=O)OC ZINC000045380507 175369223 /nfs/dbraw/zinc/36/92/23/175369223.db2.gz RDHZEZWNVKILSV-ZDUSSCGKSA-N 0 3 258.406 2.040 10 0 CEAEHN CCOC(=O)[C@H](CN(C)[C@@H](C)C(C)(C)C)NC1CC1 ZINC000045420968 175379673 /nfs/dbraw/zinc/37/96/73/175379673.db2.gz PJLJRWJFYPZWBZ-AAEUAGOBSA-N 0 3 270.417 2.037 10 0 CEAEHN CCCCN(C[C@@H](NC(C)C)C(=O)OCC)C1CC1 ZINC000045421710 175379690 /nfs/dbraw/zinc/37/96/90/175379690.db2.gz MOUDIVIFVPNGCY-CQSZACIVSA-N 0 3 270.417 2.181 10 0 CEAEHN Cc1ccc(NC[C@@H](O)CN(C)C)cc1Br ZINC000070993968 176020103 /nfs/dbraw/zinc/02/01/03/176020103.db2.gz GWXZPJYTVWOYCJ-LLVKDONJSA-N 0 3 287.201 2.092 10 0 CEAEHN OCC1CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000071030838 176022026 /nfs/dbraw/zinc/02/20/26/176022026.db2.gz NNRMASSTKLWDEZ-MRXNPFEDSA-N 0 3 261.365 2.005 10 0 CEAEHN C[C@H](c1ccc(F)cc1)N1CC[C@H](NC2CC2)C1=O ZINC000071032077 176022899 /nfs/dbraw/zinc/02/28/99/176022899.db2.gz AYTXKWMBKAMEGM-YGRLFVJLSA-N 0 3 262.328 2.240 10 0 CEAEHN CN[C@@H]1CCCN(c2nc(C(C)(C)C)cs2)C1=O ZINC000071034796 176024851 /nfs/dbraw/zinc/02/48/51/176024851.db2.gz KHYHJWIQZMHFBL-SECBINFHSA-N 0 3 267.398 2.155 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2ccc(F)c(F)c2F)C1=O ZINC000071037805 176026381 /nfs/dbraw/zinc/02/63/81/176026381.db2.gz HBTGHBXITCKMCM-SECBINFHSA-N 0 3 272.270 2.207 10 0 CEAEHN CC(C)N[C@H]1CCN(c2ccc3c(c2)CCC3)C1=O ZINC000071037840 176026497 /nfs/dbraw/zinc/02/64/97/176026497.db2.gz WIWRDTUGZAYJKK-HNNXBMFYSA-N 0 3 258.365 2.279 10 0 CEAEHN COc1ccc(N2CC[C@H](NC3CC3)C2=O)cc1Cl ZINC000071038111 176026760 /nfs/dbraw/zinc/02/67/60/176026760.db2.gz NTIKDXNRBOZBGQ-LBPRGKRZSA-N 0 3 280.755 2.206 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000071038970 176027106 /nfs/dbraw/zinc/02/71/06/176027106.db2.gz VFRGLXRGQSCWOT-LBPRGKRZSA-N 0 3 268.719 2.336 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1Cc1cccc(F)c1 ZINC000071039034 176027150 /nfs/dbraw/zinc/02/71/50/176027150.db2.gz YKFRVRWJCCUZFY-CQSZACIVSA-N 0 3 262.328 2.069 10 0 CEAEHN Cc1ccc(N2CC[C@@H](NC(C)C)C2=O)c(F)c1 ZINC000071038844 176027241 /nfs/dbraw/zinc/02/72/41/176027241.db2.gz IQTKMBYUMWMDEQ-GFCCVEGCSA-N 0 3 250.317 2.237 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2cc(F)c(F)cc2F)C1=O ZINC000071042638 176028742 /nfs/dbraw/zinc/02/87/42/176028742.db2.gz ISCHDAQTPVORAL-LLVKDONJSA-N 0 3 272.270 2.207 10 0 CEAEHN NCc1cnc(Sc2ccc(F)c(F)c2)cn1 ZINC000071178525 176055649 /nfs/dbraw/zinc/05/56/49/176055649.db2.gz JNMMWOSYJVVEGA-UHFFFAOYSA-N 0 3 253.277 2.365 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1c[nH]c2ccccc12 ZINC000071192944 176074597 /nfs/dbraw/zinc/07/45/97/176074597.db2.gz FLKZQLNQLRMZSB-GFCCVEGCSA-N 0 3 271.364 2.192 10 0 CEAEHN NC(=S)c1cc(F)ccc1CN1CCCCC1 ZINC000071265691 176099273 /nfs/dbraw/zinc/09/92/73/176099273.db2.gz JGSIGWVAIWINMB-UHFFFAOYSA-N 0 3 252.358 2.446 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(NCCc2ccc(O)cc2)C1 ZINC000071335880 176127451 /nfs/dbraw/zinc/12/74/51/176127451.db2.gz MYBPBZDSOVLMGM-UHFFFAOYSA-N 0 3 292.379 2.144 10 0 CEAEHN Cc1ccc(N)c(C(=O)NC[C@@H](CC(C)C)N(C)C)c1 ZINC000071383414 176146441 /nfs/dbraw/zinc/14/64/41/176146441.db2.gz QWKOSURPXMAAAQ-CYBMUJFWSA-N 0 3 277.412 2.283 10 0 CEAEHN CC[C@@H](NC)C(=O)c1cc(OC)c(C)cc1OC ZINC000071573173 176199945 /nfs/dbraw/zinc/19/99/45/176199945.db2.gz ANBCEBLPRGXBPI-LLVKDONJSA-N 0 3 251.326 2.193 10 0 CEAEHN Brc1ccc(CC[C@H]2COCCN2)cc1 ZINC000071601306 176228360 /nfs/dbraw/zinc/22/83/60/176228360.db2.gz HIBJTEDDXAJNJV-LBPRGKRZSA-N 0 3 270.170 2.370 10 0 CEAEHN CNCC(=O)N[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000076368874 177005804 /nfs/dbraw/zinc/00/58/04/177005804.db2.gz XFPDKLDJHSXKJM-LLVKDONJSA-N 0 3 264.369 2.261 10 0 CEAEHN Cc1c([C@H](C)NC[C@@H](C)N2CCOCC2)cnn1C(C)C ZINC000191145166 270271951 /nfs/dbraw/zinc/27/19/51/270271951.db2.gz LKBRKFKJPJQWSE-KGLIPLIRSA-N 0 3 294.443 2.144 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399094933 270365998 /nfs/dbraw/zinc/36/59/98/270365998.db2.gz XYCJJLPQYUFNEE-ABAIWWIYSA-N 0 3 276.380 2.308 10 0 CEAEHN CCC(=O)CCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000300120513 276200437 /nfs/dbraw/zinc/20/04/37/276200437.db2.gz SAXFPVRYSANSES-ZIAGYGMSSA-N 0 3 252.402 2.304 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)C[C@H](O)c1ccccc1)N(C)C ZINC000154185687 276282190 /nfs/dbraw/zinc/28/21/90/276282190.db2.gz WNGLRJGUGJYXJD-IMJJTQAJSA-N 0 3 292.423 2.345 10 0 CEAEHN CCC[C@H](C(=O)NCc1nc2cc(C)ccc2[nH]1)N(C)C ZINC000179495871 276282270 /nfs/dbraw/zinc/28/22/70/276282270.db2.gz RLJPFWZRELDSON-CQSZACIVSA-N 0 3 288.395 2.218 10 0 CEAEHN CCC[C@H](C(=O)NCc1nc2ccc(C)cc2[nH]1)N(C)C ZINC000179495871 276282271 /nfs/dbraw/zinc/28/22/71/276282271.db2.gz RLJPFWZRELDSON-CQSZACIVSA-N 0 3 288.395 2.218 10 0 CEAEHN CC(=O)Oc1cc(C)c(NC(=O)[C@@H]2CCCCN2)c(C)c1 ZINC000504266406 277094161 /nfs/dbraw/zinc/09/41/61/277094161.db2.gz YGYZVGXQFIWYLW-AWEZNQCLSA-N 0 3 290.363 2.309 10 0 CEAEHN CN1CCO[C@@H](CN[C@@H]2CC(C)(C)c3ccccc32)C1 ZINC000180489581 277119675 /nfs/dbraw/zinc/11/96/75/277119675.db2.gz FENUDAOCPUGTGP-XJKSGUPXSA-N 0 3 274.408 2.329 10 0 CEAEHN CC(C)c1nccnc1N[C@@H](C)CN1CCCCC1 ZINC000413086530 278080298 /nfs/dbraw/zinc/08/02/98/278080298.db2.gz CSMLFJFHWLAMMU-ZDUSSCGKSA-N 0 3 262.401 2.308 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1F ZINC000108994237 278195751 /nfs/dbraw/zinc/19/57/51/278195751.db2.gz HCNLDFGRXQDNDL-VXGBXAGGSA-N 0 3 264.344 2.092 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1cccs1 ZINC000158684086 278196505 /nfs/dbraw/zinc/19/65/05/278196505.db2.gz WTLIRBNKHRZNSO-MNOVXSKESA-N 0 3 252.383 2.014 10 0 CEAEHN CCC[C@H](N)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000037044182 278937371 /nfs/dbraw/zinc/93/73/71/278937371.db2.gz CBJCGRYFIBCDSC-RTBKNWGFSA-N 0 3 266.307 2.351 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CCc2cc(F)ccc21 ZINC000282129120 279027256 /nfs/dbraw/zinc/02/72/56/279027256.db2.gz BIBHQXMRJSAPDI-HERUPUMHSA-N 0 3 262.328 2.070 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000282232109 279028412 /nfs/dbraw/zinc/02/84/12/279028412.db2.gz FPEBXCWQQUVXCG-QPUJVOFHSA-N 0 3 270.735 2.236 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H]1C ZINC000174000145 279124118 /nfs/dbraw/zinc/12/41/18/279124118.db2.gz JSHOQOLFFDDGPL-CHWSQXEVSA-N 0 3 255.406 2.157 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000119712638 279128307 /nfs/dbraw/zinc/12/83/07/279128307.db2.gz XRJMSDSWIOCWHG-ZIAGYGMSSA-N 0 3 299.459 2.220 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC000245869866 280263288 /nfs/dbraw/zinc/26/32/88/280263288.db2.gz LXDWKAWRJLNWTP-CMPLNLGQSA-N 0 3 293.436 2.479 10 0 CEAEHN Cc1ccc(OC[C@@H](O)CN2CCS[C@@H](C)C2)cc1 ZINC000246151587 280276841 /nfs/dbraw/zinc/27/68/41/280276841.db2.gz PJFJYYSAUTVKNF-KBPBESRZSA-N 0 3 281.421 2.172 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](C)[C@H]2C)C1 ZINC000246477430 280296295 /nfs/dbraw/zinc/29/62/95/280296295.db2.gz VPSOIDRXHQLFLP-MCIONIFRSA-N 0 3 267.417 2.301 10 0 CEAEHN CC[C@@H]1CN(Cc2ccncc2Cl)CCN1C[C@H](C)O ZINC000247461536 280330261 /nfs/dbraw/zinc/33/02/61/280330261.db2.gz ILDUQLRDDMLERY-GXTWGEPZSA-N 0 3 297.830 2.012 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)[C@H](C)c1ccccn1 ZINC000248662658 280358586 /nfs/dbraw/zinc/35/85/86/280358586.db2.gz YSOKKHIUPVHILN-KGLIPLIRSA-N 0 3 266.385 2.252 10 0 CEAEHN CCc1cccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000249298288 280392330 /nfs/dbraw/zinc/39/23/30/280392330.db2.gz NGXZBYYIYUJZTE-CABCVRRESA-N 0 3 276.424 2.136 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000253550677 280456513 /nfs/dbraw/zinc/45/65/13/280456513.db2.gz WCILARVLOHDUJG-RBSFLKMASA-N 0 3 284.444 2.427 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)ccc1[O-] ZINC000175437886 281191278 /nfs/dbraw/zinc/19/12/78/281191278.db2.gz AHWJRIDWFXOOCW-UONOGXRCSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)ccc1[O-] ZINC000175437886 281191279 /nfs/dbraw/zinc/19/12/79/281191279.db2.gz AHWJRIDWFXOOCW-UONOGXRCSA-N 0 3 288.391 2.399 10 0 CEAEHN C[C@H](OC1CCCCCC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000154433660 289145216 /nfs/dbraw/zinc/14/52/16/289145216.db2.gz JUBXWCZULQWZFA-KBPBESRZSA-N 0 3 282.428 2.277 10 0 CEAEHN Cc1cc(C)c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000155562328 289177443 /nfs/dbraw/zinc/17/74/43/289177443.db2.gz ZITBSXHISPCVLU-WCQYABFASA-N 0 3 264.369 2.355 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)CSC(C)(C)C ZINC000113232469 297092846 /nfs/dbraw/zinc/09/28/46/297092846.db2.gz NQSLEYGLFSFFJM-VXGBXAGGSA-N 0 3 270.442 2.213 10 0 CEAEHN Cc1c(C(=O)N[C@H](CC(C)C)CN(C)C)cnn1C(C)C ZINC000092342610 300942828 /nfs/dbraw/zinc/94/28/28/300942828.db2.gz BCGAZRSAIVPWGB-CQSZACIVSA-N 0 3 294.443 2.479 10 0 CEAEHN COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F ZINC000399771085 333249093 /nfs/dbraw/zinc/24/90/93/333249093.db2.gz ZRQLHUBZNNNCEJ-RYUDHWBXSA-N 0 3 269.291 2.173 10 0 CEAEHN CC(C)N[C@@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062461001 519734514 /nfs/dbraw/zinc/73/45/14/519734514.db2.gz HKFWBQYDSLQXQB-LSDHHAIUSA-N 0 3 282.428 2.482 10 0 CEAEHN CC(C)N[C@@H](CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062461001 519734515 /nfs/dbraw/zinc/73/45/15/519734515.db2.gz HKFWBQYDSLQXQB-LSDHHAIUSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCNC(=O)[C@@H](C)NCc1ccc(CC)s1 ZINC000049203945 519888626 /nfs/dbraw/zinc/88/86/26/519888626.db2.gz MFPPQOFLLJGTQG-SNVBAGLBSA-N 0 3 254.399 2.315 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000061291111 519906483 /nfs/dbraw/zinc/90/64/83/519906483.db2.gz QSXBLHHOQYIONK-UHFFFAOYSA-N 0 3 284.743 2.395 10 0 CEAEHN CCNCc1coc(CN(CC)[C@H](C)COC)c1 ZINC000052504906 520017600 /nfs/dbraw/zinc/01/76/00/520017600.db2.gz CGQMMFHJZLBLEO-GFCCVEGCSA-N 0 3 254.374 2.246 10 0 CEAEHN CCNCc1nccn1Cc1ccc(F)cc1F ZINC000051004825 520023861 /nfs/dbraw/zinc/02/38/61/520023861.db2.gz RDYIIRQDZGDBMH-UHFFFAOYSA-N 0 3 251.280 2.319 10 0 CEAEHN CCN[C@@H]1COc2cc(OC[C@H]3CCCO3)ccc21 ZINC000062804721 520123598 /nfs/dbraw/zinc/12/35/98/520123598.db2.gz IMWGLHAULYAXCZ-TZMCWYRMSA-N 0 3 263.337 2.287 10 0 CEAEHN CCN(CCOC)Cc1ccoc1CNCC(C)C ZINC000052542806 521134168 /nfs/dbraw/zinc/13/41/68/521134168.db2.gz LKHKRXZYHGOXAT-UHFFFAOYSA-N 0 3 268.401 2.494 10 0 CEAEHN CCN(CCn1cc(N)cn1)Cc1cccs1 ZINC000050614797 521183334 /nfs/dbraw/zinc/18/33/34/521183334.db2.gz YJGBSAGRDOPVGM-UHFFFAOYSA-N 0 3 250.371 2.049 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCC(CC)CC1)NC1CC1 ZINC000062526344 521244321 /nfs/dbraw/zinc/24/43/21/521244321.db2.gz LNLBUYSNUVCVCQ-HNNXBMFYSA-N 0 3 282.428 2.182 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1cccc(C(N)=S)c1 ZINC000069433762 521301040 /nfs/dbraw/zinc/30/10/40/521301040.db2.gz ZHQYLMKIXIKIOT-UHFFFAOYSA-N 0 3 293.436 2.380 10 0 CEAEHN CCCc1nc(N2CCOC(C)(C)C2)sc1CNC ZINC000054997858 521532391 /nfs/dbraw/zinc/53/23/91/521532391.db2.gz IEWABXMQKKGOPS-UHFFFAOYSA-N 0 3 283.441 2.430 10 0 CEAEHN CCCc1nc(N2CCCSCC2)sc1CN ZINC000055002177 521533130 /nfs/dbraw/zinc/53/31/30/521533130.db2.gz CUSFZLMEZIRCQC-UHFFFAOYSA-N 0 3 271.455 2.498 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)NCC ZINC000062747028 521744008 /nfs/dbraw/zinc/74/40/08/521744008.db2.gz QLQKCXONWDSHEG-WDEREUQCSA-N 0 3 282.359 2.400 10 0 CEAEHN CCc1nc(N(C)Cc2cscn2)sc1CN ZINC000054998553 522381253 /nfs/dbraw/zinc/38/12/53/522381253.db2.gz ZCYDRLKWBSPKKG-UHFFFAOYSA-N 0 3 268.411 2.257 10 0 CEAEHN CN[C@H](CCOc1cc(C)ccc1C(C)(C)C)C(N)=O ZINC000062542352 522462021 /nfs/dbraw/zinc/46/20/21/522462021.db2.gz JQIVCVWFQVECBW-CYBMUJFWSA-N 0 3 278.396 2.135 10 0 CEAEHN COc1cc(Cl)c(OC)c2ccc(CN)nc12 ZINC000062624695 522530986 /nfs/dbraw/zinc/53/09/86/522530986.db2.gz LYVBZOIQBMQFQH-UHFFFAOYSA-N 0 3 252.701 2.364 10 0 CEAEHN CN[C@](CSCc1ccccc1C)(C(N)=O)C1CC1 ZINC000069189778 522532414 /nfs/dbraw/zinc/53/24/14/522532414.db2.gz UHDTYFSPTTYGPG-HNNXBMFYSA-N 0 3 278.421 2.082 10 0 CEAEHN CC(C)(C)N1CCN(CCOc2cccc(N)c2)CC1 ZINC000048926383 518710066 /nfs/dbraw/zinc/71/00/66/518710066.db2.gz NPSAOSNYNRQHOW-UHFFFAOYSA-N 0 3 277.412 2.064 10 0 CEAEHN CC(C)N(Cc1ccnc(CN)c1)CC(F)(F)F ZINC000068750313 519662968 /nfs/dbraw/zinc/66/29/68/519662968.db2.gz AHMXAHNULHHWME-UHFFFAOYSA-N 0 3 261.291 2.313 10 0 CEAEHN CC(C)N1CCN(c2nc3c(s2)[C@H](N)CCC3)CC1 ZINC000054895657 519683498 /nfs/dbraw/zinc/68/34/98/519683498.db2.gz AEQKOUFUQMODNP-LLVKDONJSA-N 0 3 280.441 2.010 10 0 CEAEHN CC(C)CN1C(=O)CC[C@@H](N)[C@H]1c1ccsc1 ZINC000070292735 519719426 /nfs/dbraw/zinc/71/94/26/519719426.db2.gz VPQZCLIKKYUYEK-DGCLKSJQSA-N 0 3 252.383 2.395 10 0 CEAEHN CC(C)N[C@@H](CC[N@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525125 519734342 /nfs/dbraw/zinc/73/43/42/519734342.db2.gz ULLBBFIDWVZLEX-RUXDESIVSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)N[C@@H](CC[N@@H+](C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525125 519734344 /nfs/dbraw/zinc/73/43/44/519734344.db2.gz ULLBBFIDWVZLEX-RUXDESIVSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN(C)C1CCC(C)CC1)C(=O)[O-] ZINC000062525125 519734345 /nfs/dbraw/zinc/73/43/45/519734345.db2.gz ULLBBFIDWVZLEX-RUXDESIVSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)N[C@@](CSc1ccccc1)(C(N)=O)C1CC1 ZINC000069185527 519737751 /nfs/dbraw/zinc/73/77/51/519737751.db2.gz HQDQHOLWRVEEIX-OAHLLOKOSA-N 0 3 278.421 2.411 10 0 CEAEHN CC(C)CNCc1cc(Cl)ccc1OCCO ZINC000062730895 519746726 /nfs/dbraw/zinc/74/67/26/519746726.db2.gz NXWPQWYNSPJNDL-UHFFFAOYSA-N 0 3 257.761 2.457 10 0 CEAEHN CC(C)CNCc1c(Cl)cccc1N(C)CC(N)=O ZINC000062735625 519746824 /nfs/dbraw/zinc/74/68/24/519746824.db2.gz WUVACPSPWPCTCL-UHFFFAOYSA-N 0 3 283.803 2.007 10 0 CEAEHN CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1[O-] ZINC000049560311 519775744 /nfs/dbraw/zinc/77/57/44/519775744.db2.gz CWGTVLHNJDVRMF-LBPRGKRZSA-N 0 3 264.369 2.098 10 0 CEAEHN CC(C)Oc1ccc([C@H](N)Cn2ccc(=O)cc2)cc1 ZINC000061627924 519781980 /nfs/dbraw/zinc/78/19/80/519781980.db2.gz JWHOOOAFCDVEKG-MRXNPFEDSA-N 0 3 272.348 2.336 10 0 CEAEHN CC(C)[C@@H](NC[C@H]1CN(C)CCN1C)c1cccs1 ZINC000068802624 519799141 /nfs/dbraw/zinc/79/91/41/519799141.db2.gz BNADLJDSOZRPGB-DZGCQCFKSA-N 0 3 281.469 2.281 10 0 CEAEHN CC(C)[C@H](CN(C)C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049199207 519814751 /nfs/dbraw/zinc/81/47/51/519814751.db2.gz IOOJREFOWQUMFN-CABCVRRESA-N 0 3 289.423 2.270 10 0 CEAEHN CCC1CCC(NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 ZINC000049121788 519855698 /nfs/dbraw/zinc/85/56/98/519855698.db2.gz SCWNAUDJGMUZDD-PXCJXSSVSA-N 0 3 290.407 2.347 10 0 CEAEHN CCCN1CCN(Cc2ccnc(NCC)c2)CC1 ZINC000052709708 519859330 /nfs/dbraw/zinc/85/93/30/519859330.db2.gz WQGKIXUXNJMZKK-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CCNC(C)(C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000061149772 519909204 /nfs/dbraw/zinc/90/92/04/519909204.db2.gz MNGBSWDHOLTDLS-UHFFFAOYSA-N 0 3 261.325 2.179 10 0 CEAEHN CCCNCc1cccnc1N1CCCO[C@@H](C)C1 ZINC000061935169 519957066 /nfs/dbraw/zinc/95/70/66/519957066.db2.gz FJXWBFYYEQFAIP-ZDUSSCGKSA-N 0 3 263.385 2.196 10 0 CEAEHN CCNCc1ccoc1CN1C[C@@H](C)OC[C@@H]1CC ZINC000052570880 520013739 /nfs/dbraw/zinc/01/37/39/520013739.db2.gz PAJKNDUADIEDEW-OCCSQVGLSA-N 0 3 266.385 2.388 10 0 CEAEHN CCCN[C@@H]1c2ccccc2CCC[C@@H]1S(C)(=O)=O ZINC000054930494 520028393 /nfs/dbraw/zinc/02/83/93/520028393.db2.gz ANDOLBPEKNIJNJ-LSDHHAIUSA-N 0 3 281.421 2.477 10 0 CEAEHN CCNCc1occc1CN(C)[C@H]1CCSC1 ZINC000052453275 520030473 /nfs/dbraw/zinc/03/04/73/520030473.db2.gz AGVDTSVCLWALTP-LBPRGKRZSA-N 0 3 254.399 2.326 10 0 CEAEHN CCNCc1occc1CN(CC)[C@H](C)COC ZINC000052504827 520030525 /nfs/dbraw/zinc/03/05/25/520030525.db2.gz ABXHPYHLIDACDP-GFCCVEGCSA-N 0 3 254.374 2.246 10 0 CEAEHN CCCN[C@@](CO[C@H](C)CC(C)C)(C(N)=O)C1CC1 ZINC000069196497 520055935 /nfs/dbraw/zinc/05/59/35/520055935.db2.gz XGEZOTPPPPUHDD-IUODEOHRSA-N 0 3 270.417 2.071 10 0 CEAEHN CCN[C@@H](C)c1ccccc1OCCCC(=O)NC ZINC000068816328 520078511 /nfs/dbraw/zinc/07/85/11/520078511.db2.gz XKYYLJSKKWLMRW-LBPRGKRZSA-N 0 3 264.369 2.262 10 0 CEAEHN CCN[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000062365947 520079628 /nfs/dbraw/zinc/07/96/28/520079628.db2.gz RSFIIIAFRZRWDU-VIFPVBQESA-N 0 3 261.325 2.395 10 0 CEAEHN CCN[C@@H](C)c1cnc(Cc2cccnc2)nc1C ZINC000054963018 520079777 /nfs/dbraw/zinc/07/97/77/520079777.db2.gz IMQSCROPWRBJHR-NSHDSACASA-N 0 3 256.353 2.441 10 0 CEAEHN CCCN[C@H](CS(C)(=O)=O)c1cccc2cnccc21 ZINC000061124490 520085035 /nfs/dbraw/zinc/08/50/35/520085035.db2.gz LDIXXJGDBNLANL-OAHLLOKOSA-N 0 3 292.404 2.320 10 0 CEAEHN CCN[C@@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460985 520088756 /nfs/dbraw/zinc/08/87/56/520088756.db2.gz MTXVGNYKRQEYSA-UONOGXRCSA-N 0 3 268.401 2.094 10 0 CEAEHN CCN[C@@H](CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460985 520088763 /nfs/dbraw/zinc/08/87/63/520088763.db2.gz MTXVGNYKRQEYSA-UONOGXRCSA-N 0 3 268.401 2.094 10 0 CEAEHN CCN[C@@H](Cc1ccc(OC)c(OC)c1)c1cnccn1 ZINC000069499692 520104556 /nfs/dbraw/zinc/10/45/56/520104556.db2.gz IZJHLRUGSLMWAJ-ZDUSSCGKSA-N 0 3 287.363 2.387 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CCC2)[C@@H]1COCCO1 ZINC000055300131 520111355 /nfs/dbraw/zinc/11/13/55/520111355.db2.gz NPMAJUXLFGNDJI-HOTGVXAUSA-N 0 3 261.365 2.241 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1cccc(OCC)c1)C(N)=O ZINC000068658308 520146554 /nfs/dbraw/zinc/14/65/54/520146554.db2.gz ISDMGADESMWQIB-LRDDRELGSA-N 0 3 294.395 2.096 10 0 CEAEHN CCN[C@@](CN(CC)c1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069100767 520151064 /nfs/dbraw/zinc/15/10/64/520151064.db2.gz DFCDMBUDWBTNDT-QGZVFWFLSA-N 0 3 289.423 2.065 10 0 CEAEHN CCCNc1ccc(C(=O)N[C@H]2CCCN(CC)C2)cn1 ZINC000050777689 520151337 /nfs/dbraw/zinc/15/13/37/520151337.db2.gz FJYZHZLVDPHDQD-AWEZNQCLSA-N 0 3 290.411 2.118 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCOC[C@@H]2C)s1 ZINC000054903560 520181508 /nfs/dbraw/zinc/18/15/08/520181508.db2.gz KEKTZIZPCNZDNU-VHSXEESVSA-N 0 3 255.387 2.039 10 0 CEAEHN CCN[C@H](COc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000045472833 520198597 /nfs/dbraw/zinc/19/85/97/520198597.db2.gz GSRJKQCCQJCWDI-MRXNPFEDSA-N 0 3 284.359 2.196 10 0 CEAEHN CCN[C@H](c1ccc(C)cc1)C(C)(C)S(C)(=O)=O ZINC000070128766 520208643 /nfs/dbraw/zinc/20/86/43/520208643.db2.gz JRLGCOVOSOQZGU-CYBMUJFWSA-N 0 3 269.410 2.469 10 0 CEAEHN CCN[C@H]1COc2cc(O[C@H](C)C(=O)NC(C)C)ccc21 ZINC000062804848 520221797 /nfs/dbraw/zinc/22/17/97/520221797.db2.gz IVCXPPOILIHSJE-RISCZKNCSA-N 0 3 292.379 2.022 10 0 CEAEHN CCN[C@H]1COc2cc(OCC(=O)N[C@@H](C)CC)ccc21 ZINC000062804932 520222052 /nfs/dbraw/zinc/22/20/52/520222052.db2.gz APJZQMAZNUKHMD-FZMZJTMJSA-N 0 3 292.379 2.023 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1ccc(C)cc1OC)C(N)=O ZINC000068657125 520241371 /nfs/dbraw/zinc/24/13/71/520241371.db2.gz UMZZEHJUVXKWTE-BLLLJJGKSA-N 0 3 294.395 2.015 10 0 CEAEHN CCN[C@](CN(CC)c1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069100766 520246940 /nfs/dbraw/zinc/24/69/40/520246940.db2.gz DFCDMBUDWBTNDT-KRWDZBQOSA-N 0 3 289.423 2.065 10 0 CEAEHN CCN[C@](CN1CCC(C)(C)CC1)(C(=O)OC)C1CC1 ZINC000069232034 520246983 /nfs/dbraw/zinc/24/69/83/520246983.db2.gz WHCLIPZNAHQWSE-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN[C@](COc1cccc(C(C)C)c1)(C(N)=O)C1CC1 ZINC000069197042 520251354 /nfs/dbraw/zinc/25/13/54/520251354.db2.gz VVCNKNJATKXQCD-KRWDZBQOSA-N 0 3 290.407 2.432 10 0 CEAEHN CCNc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000050777288 520287088 /nfs/dbraw/zinc/28/70/88/520287088.db2.gz WNMIREAHEZJURU-UHFFFAOYSA-N 0 3 275.396 2.334 10 0 CEAEHN CCNc1cccc(C(=O)N(CCN(C)C)CC(C)C)n1 ZINC000051071256 520332451 /nfs/dbraw/zinc/33/24/51/520332451.db2.gz GLBBGUOKEGMJHI-UHFFFAOYSA-N 0 3 292.427 2.173 10 0 CEAEHN CC1(C)COCCN1[C@H](CN)c1cccc2cccnc21 ZINC000069502607 520507911 /nfs/dbraw/zinc/50/79/11/520507911.db2.gz KTNKJWPABPOIPU-OAHLLOKOSA-N 0 3 285.391 2.345 10 0 CEAEHN CC1CCC(N(CC(N)=O)Cc2cccc(N)c2)CC1 ZINC000068606643 520936815 /nfs/dbraw/zinc/93/68/15/520936815.db2.gz DONITFIQBAOOGO-UHFFFAOYSA-N 0 3 275.396 2.135 10 0 CEAEHN CCC[C@H](C(=O)NC1Cc2ccccc2C1)N(C)C ZINC000183588870 520977215 /nfs/dbraw/zinc/97/72/15/520977215.db2.gz NQGUGUCWQKZZQJ-OAHLLOKOSA-N 0 3 260.381 2.000 10 0 CEAEHN CCC[C@H](N[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000049543770 521178189 /nfs/dbraw/zinc/17/81/89/521178189.db2.gz KQAADKAFYCAOJF-QWRGUYRKSA-N 0 3 273.423 2.366 10 0 CEAEHN CCC(=O)Nc1cccc(NC(=O)C(C)(C)NC)c1C ZINC000061316456 521225497 /nfs/dbraw/zinc/22/54/97/521225497.db2.gz XBOAKCHHHQEWOA-UHFFFAOYSA-N 0 3 277.368 2.280 10 0 CEAEHN CCC(C)(C)N(C)Cc1ccnc(C(N)=S)c1 ZINC000069433973 521303707 /nfs/dbraw/zinc/30/37/07/521303707.db2.gz RWLLOCSRACZCNT-UHFFFAOYSA-N 0 3 251.399 2.336 10 0 CEAEHN CCOc1cccc(CNC)c1OC1CCOCC1 ZINC000069288734 521358412 /nfs/dbraw/zinc/35/84/12/521358412.db2.gz ZJOZPEIGILSWJI-UHFFFAOYSA-N 0 3 265.353 2.363 10 0 CEAEHN CCN(c1ccccc1CNCCOC)[C@H](C)COC ZINC000062737917 521501822 /nfs/dbraw/zinc/50/18/22/521501822.db2.gz QFENBMQDUJPALD-CQSZACIVSA-N 0 3 280.412 2.284 10 0 CEAEHN CCCc1nc(N2CCO[C@H](C)C2)sc1CNC ZINC000054995759 521533885 /nfs/dbraw/zinc/53/38/85/521533885.db2.gz QASSDOVLXQSMTQ-SNVBAGLBSA-N 0 3 269.414 2.040 10 0 CEAEHN CCCN(CC)c1ncc(CNCCOC)s1 ZINC000054902657 521618777 /nfs/dbraw/zinc/61/87/77/521618777.db2.gz USWPZYZKDLKFFQ-UHFFFAOYSA-N 0 3 257.403 2.115 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000052593081 521644360 /nfs/dbraw/zinc/64/43/60/521644360.db2.gz RFJLPPOVQSHKPT-HNNXBMFYSA-N 0 3 293.386 2.451 10 0 CEAEHN CCNC(=O)c1cc(N[C@H](C)CN2CCCCC2)ccn1 ZINC000049502116 521747204 /nfs/dbraw/zinc/74/72/04/521747204.db2.gz PPDBTLMZXNKIIQ-CYBMUJFWSA-N 0 3 290.411 2.118 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000052792083 521823797 /nfs/dbraw/zinc/82/37/97/521823797.db2.gz XSQTVOPGVGNZSP-KGLIPLIRSA-N 0 3 282.359 2.003 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000052554797 521824351 /nfs/dbraw/zinc/82/43/51/521824351.db2.gz MLIBWAUWRODTJC-OAHLLOKOSA-N 0 3 269.348 2.114 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccc(F)nc1)c1ccccc1 ZINC000070083912 521824512 /nfs/dbraw/zinc/82/45/12/521824512.db2.gz CWKWFMYUABGILX-CQSZACIVSA-N 0 3 287.338 2.253 10 0 CEAEHN COCC[C@@H](N)C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000052791834 521825473 /nfs/dbraw/zinc/82/54/73/521825473.db2.gz RWLVYNQEUCCLJS-LLVKDONJSA-N 0 3 293.754 2.191 10 0 CEAEHN CCc1ccccc1C[C@H](CN)C(=O)NC(C)(C)C ZINC000052200805 521846154 /nfs/dbraw/zinc/84/61/54/521846154.db2.gz DHCVTZKCJUNAPQ-CQSZACIVSA-N 0 3 262.397 2.281 10 0 CEAEHN CN(C)C[C@H]1CCCN1CC(=O)c1ccccc1F ZINC000061645639 521865508 /nfs/dbraw/zinc/86/55/08/521865508.db2.gz WTNWSDXJRVFGRM-GFCCVEGCSA-N 0 3 264.344 2.034 10 0 CEAEHN CCc1ccccc1[C@@H](NCCN(CC)CC)C(=O)OC ZINC000052204423 521932597 /nfs/dbraw/zinc/93/25/97/521932597.db2.gz VBAYDKXRRGLSML-MRXNPFEDSA-N 0 3 292.423 2.395 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000061300069 521943757 /nfs/dbraw/zinc/94/37/57/521943757.db2.gz SPNBSUJDIXKZFY-UHFFFAOYSA-N 0 3 256.733 2.285 10 0 CEAEHN CNCc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000052573099 522118436 /nfs/dbraw/zinc/11/84/36/522118436.db2.gz DREQMONZSBGKHQ-LSDHHAIUSA-N 0 3 264.369 2.142 10 0 CEAEHN CC[C@@H](C)N1CCN(C[C@H]2CCCCC[C@@H]2O)CC1 ZINC000055073123 522123151 /nfs/dbraw/zinc/12/31/51/522123151.db2.gz PDLLACUNWDWSST-OAGGEKHMSA-N 0 3 268.445 2.344 10 0 CEAEHN CC[C@@H](C)N1CCN([C@@H](CN)c2c(F)cccc2F)CC1 ZINC000055064846 522128987 /nfs/dbraw/zinc/12/89/87/522128987.db2.gz DPMUELFPSOFLGP-DOMZBBRYSA-N 0 3 297.393 2.381 10 0 CEAEHN COc1cc(C)ccc1OCc1ccnc(C(=N)N)c1 ZINC000068762277 522281148 /nfs/dbraw/zinc/28/11/48/522281148.db2.gz FMHOEFXUQKQDRQ-UHFFFAOYSA-N 0 3 271.320 2.262 10 0 CEAEHN CN[C@@H](C)c1cnn(Cc2cc(F)ccc2F)c1 ZINC000054721005 522336154 /nfs/dbraw/zinc/33/61/54/522336154.db2.gz ZICRFPJCHARUHT-VIFPVBQESA-N 0 3 251.280 2.490 10 0 CEAEHN CN[C@@H](C)c1cnn(Cc2ncc(C)c(OC)c2C)c1 ZINC000054720825 522338796 /nfs/dbraw/zinc/33/87/96/522338796.db2.gz ZFRQKCPMBXXPET-LBPRGKRZSA-N 0 3 274.368 2.232 10 0 CEAEHN CN[C@@H](c1ccnn1C)c1ccc(Br)cc1 ZINC000069020289 522371842 /nfs/dbraw/zinc/37/18/42/522371842.db2.gz DJIOZPWYFMHASL-GFCCVEGCSA-N 0 3 280.169 2.491 10 0 CEAEHN CCc1nc(NC(=O)CN[C@@H](C)CC)sc1C ZINC000049184688 522393754 /nfs/dbraw/zinc/39/37/54/522393754.db2.gz GBYCNKZSJPVJLC-QMMMGPOBSA-N 0 3 255.387 2.341 10 0 CEAEHN CN[C@@H]1COc2cc(OC[C@H]3CCCCO3)ccc21 ZINC000062804015 522400637 /nfs/dbraw/zinc/40/06/37/522400637.db2.gz QMVWFRGKMAIGNX-TZMCWYRMSA-N 0 3 263.337 2.287 10 0 CEAEHN CN[C@H](C)c1cc(C)ccc1OCCC(=O)OC ZINC000069317214 522445001 /nfs/dbraw/zinc/44/50/01/522445001.db2.gz SIHRWZUKGCAXJF-LLVKDONJSA-N 0 3 251.326 2.217 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)N1CCCC1 ZINC000062746467 522446304 /nfs/dbraw/zinc/44/63/04/522446304.db2.gz POUBMJWCMNWKRL-NEPJUHHUSA-N 0 3 294.370 2.496 10 0 CEAEHN C[NH2+][C@H](CCN1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000062444597 522460056 /nfs/dbraw/zinc/46/00/56/522460056.db2.gz HFOODEHWVBGEKV-MRXNPFEDSA-N 0 3 290.407 2.004 10 0 CEAEHN CN[C@H](Cn1nc(C)ccc1=O)c1cc2ccccc2o1 ZINC000061810278 522475592 /nfs/dbraw/zinc/47/55/92/522475592.db2.gz DMBGEAVJHXVGQM-CYBMUJFWSA-N 0 3 283.331 2.259 10 0 CEAEHN CN[C@](C)(CCSCc1ccccc1C)C(N)=O ZINC000054964835 522516894 /nfs/dbraw/zinc/51/68/94/522516894.db2.gz HNYUAZBMVRHWFU-CQSZACIVSA-N 0 3 266.410 2.082 10 0 CEAEHN CN[C@](C)(COc1ccc(C)cc1C(C)(C)C)C(N)=O ZINC000045508931 522517863 /nfs/dbraw/zinc/51/78/63/522517863.db2.gz RKNKDEHKDVNKBF-MRXNPFEDSA-N 0 3 278.396 2.135 10 0 CEAEHN CNc1cc(CN(CCOC)[C@H](C)C2CC2)ccn1 ZINC000052728543 522565860 /nfs/dbraw/zinc/56/58/60/522565860.db2.gz QNMGNKKYWHQOGG-GFCCVEGCSA-N 0 3 263.385 2.370 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1ccccc1OC)C(F)(F)F ZINC000062784314 522655918 /nfs/dbraw/zinc/65/59/18/522655918.db2.gz CPNRFECNCIJTFX-GHMZBOCLSA-N 0 3 263.259 2.182 10 0 CEAEHN CC[C@H](NCc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000049130367 522670298 /nfs/dbraw/zinc/67/02/98/522670298.db2.gz VORWXDPUHVDEBX-LBPRGKRZSA-N 0 3 259.353 2.447 10 0 CEAEHN CNc1ncccc1CN(CCO)C1CCCCC1 ZINC000052727686 522709982 /nfs/dbraw/zinc/70/99/82/522709982.db2.gz YAKSGRUOLSCDOC-UHFFFAOYSA-N 0 3 263.385 2.250 10 0 CEAEHN CC[C@@H](NC)c1cccc(S(=O)(=O)NC2CCC2)c1 ZINC000052212709 522806256 /nfs/dbraw/zinc/80/62/56/522806256.db2.gz CEXBXTWLMUTFJC-CQSZACIVSA-N 0 3 282.409 2.188 10 0 CEAEHN CC[C@H](O)COc1c(C)cc(CNCCOC)cc1C ZINC000062728664 522822618 /nfs/dbraw/zinc/82/26/18/522822618.db2.gz JCPFAMQYJWOUHR-HNNXBMFYSA-N 0 3 281.396 2.189 10 0 CEAEHN COC(=O)CCCNCc1ccc2ncccc2c1 ZINC000069502030 523030915 /nfs/dbraw/zinc/03/09/15/523030915.db2.gz FJNMAGVVOWAIPF-UHFFFAOYSA-N 0 3 258.321 2.278 10 0 CEAEHN COC(=O)CCOc1ccccc1CNC(C)C ZINC000069316888 523107379 /nfs/dbraw/zinc/10/73/79/523107379.db2.gz FBGWWONPRYCFPN-UHFFFAOYSA-N 0 3 251.326 2.127 10 0 CEAEHN CN(C[C@H]1CCCOC1)[C@@H]1CNCc2ccccc21 ZINC000069267670 523131625 /nfs/dbraw/zinc/13/16/25/523131625.db2.gz NVDZGTICOPUXOP-CZUORRHYSA-N 0 3 260.381 2.189 10 0 CEAEHN CN(Cc1cc(CN)no1)Cc1ccc(Cl)cc1 ZINC000052346358 523172262 /nfs/dbraw/zinc/17/22/62/523172262.db2.gz LCXQEXFQLPSCQJ-UHFFFAOYSA-N 0 3 265.744 2.419 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1[C@@H](CN)c1c(F)cccc1F ZINC000048914566 523353782 /nfs/dbraw/zinc/35/37/82/523353782.db2.gz MGGCWNNHJUIVKE-SUNKGSAMSA-N 0 3 284.350 2.464 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2cccc3cccnc32)CCO1 ZINC000069502481 523467896 /nfs/dbraw/zinc/46/78/96/523467896.db2.gz NMOOIWQMSSRDLM-ZBFHGGJFSA-N 0 3 285.391 2.345 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1ncc([C@@H](C)NC)s1 ZINC000054908827 523510103 /nfs/dbraw/zinc/51/01/03/523510103.db2.gz FRSJZEPGIJBEHK-HBNTYKKESA-N 0 3 269.414 2.427 10 0 CEAEHN CN(Cc1cnn(C)c1)c1ccc(Cl)cc1CN ZINC000052857137 523518414 /nfs/dbraw/zinc/51/84/14/523518414.db2.gz RJIBIDCLMXMLIF-UHFFFAOYSA-N 0 3 264.760 2.169 10 0 CEAEHN CN(c1nc2c(s1)[C@H](N)CCC2)[C@@H]1CCSC1 ZINC000054895337 523666157 /nfs/dbraw/zinc/66/61/57/523666157.db2.gz RVLVONAGEKIOOD-RKDXNWHRSA-N 0 3 269.439 2.421 10 0 CEAEHN COCCN(CCOC)Cc1ccc(CNCC(C)C)o1 ZINC000052571402 523718770 /nfs/dbraw/zinc/71/87/70/523718770.db2.gz FKPCHMUREVSHLG-UHFFFAOYSA-N 0 3 298.427 2.120 10 0 CEAEHN COCCN(Cc1cc(CN)oc1C)CC(C)C ZINC000052508596 523739742 /nfs/dbraw/zinc/73/97/42/523739742.db2.gz YDOLHJNLSOCKIL-UHFFFAOYSA-N 0 3 254.374 2.151 10 0 CEAEHN CC[C@H](C)CNS(=O)(=O)c1cccc([C@@H](C)N)c1 ZINC000054489106 523886088 /nfs/dbraw/zinc/88/60/88/523886088.db2.gz WPYRILBYONXRRK-WDEREUQCSA-N 0 3 270.398 2.031 10 0 CEAEHN CN(C(=O)[C@H](CN)c1ccccc1)c1ccccc1 ZINC000061610592 523905236 /nfs/dbraw/zinc/90/52/36/523905236.db2.gz ADEUECUSQHJFQL-OAHLLOKOSA-N 0 3 254.333 2.392 10 0 CEAEHN COCCNCc1cc(C)nc(-c2ccccc2)n1 ZINC000054832532 523949130 /nfs/dbraw/zinc/94/91/30/523949130.db2.gz BVGAOFOGGOXBRF-UHFFFAOYSA-N 0 3 257.337 2.188 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@@H]2CNc3ccccc3O2)CC1 ZINC000055083404 523954192 /nfs/dbraw/zinc/95/41/92/523954192.db2.gz IMXMKEHIHYVFGB-GJZGRUSLSA-N 0 3 289.423 2.276 10 0 CEAEHN COCCNCc1cnc(-c2ccc(C)cc2)nc1 ZINC000054856820 523955591 /nfs/dbraw/zinc/95/55/91/523955591.db2.gz ODPGONMDBBFIAB-UHFFFAOYSA-N 0 3 257.337 2.188 10 0 CEAEHN CC[C@H](C)N1CCN(c2ncc([C@H](C)N)s2)CC1 ZINC000055076320 523961527 /nfs/dbraw/zinc/96/15/27/523961527.db2.gz QPMQANOPOHPNGQ-QWRGUYRKSA-N 0 3 268.430 2.083 10 0 CEAEHN C[C@@H]1CCCN(C(=O)[C@H](CN)Cc2ccccc2)[C@@H]1C ZINC000050564860 524205146 /nfs/dbraw/zinc/20/51/46/524205146.db2.gz GNDOPQIYHKCRPJ-FMKPAKJESA-N 0 3 274.408 2.451 10 0 CEAEHN Cc1cc(C)cc(NC(=O)c2ccnc(NN)c2)c1 ZINC000051096679 524436935 /nfs/dbraw/zinc/43/69/35/524436935.db2.gz DNGSFQIFWRUSSL-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN Cc1cc(C)cc(NC(=O)c2cc[nH]c(=NN)c2)c1 ZINC000051096679 524436942 /nfs/dbraw/zinc/43/69/42/524436942.db2.gz DNGSFQIFWRUSSL-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(N)c(F)cc1F ZINC000049500544 524604858 /nfs/dbraw/zinc/60/48/58/524604858.db2.gz NBVZOOPSRBPEAE-JTQLQIEISA-N 0 3 297.349 2.151 10 0 CEAEHN COc1ccc(OC)c(CN2CCC[C@@H]2CCCO)c1 ZINC000052762707 524827069 /nfs/dbraw/zinc/82/70/69/524827069.db2.gz JEMUKPZQHBZKQN-CQSZACIVSA-N 0 3 279.380 2.441 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@H+](C)CC1CCCC1 ZINC000068646972 524853670 /nfs/dbraw/zinc/85/36/70/524853670.db2.gz XIZOQHBEXLMYRX-BLLLJJGKSA-N 0 3 282.428 2.482 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(=O)[O-])[N@@H+](C)CC1CCCC1 ZINC000068646972 524853680 /nfs/dbraw/zinc/85/36/80/524853680.db2.gz XIZOQHBEXLMYRX-BLLLJJGKSA-N 0 3 282.428 2.482 10 0 CEAEHN COc1ccc(OC)c([C@H](N)Cc2ccncc2)c1 ZINC000055234843 524908215 /nfs/dbraw/zinc/90/82/15/524908215.db2.gz JHCKZLTYROTOBO-CQSZACIVSA-N 0 3 258.321 2.341 10 0 CEAEHN COc1ccc(OC[C@H](C)C(N)=O)c(CNC(C)(C)C)c1 ZINC000062727533 524971225 /nfs/dbraw/zinc/97/12/25/524971225.db2.gz QQUAXHAXEFJVTB-NSHDSACASA-N 0 3 294.395 2.084 10 0 CEAEHN Cc1cc(F)ccc1[C@H](NC1CCCC1)C(N)=O ZINC000050579739 525008129 /nfs/dbraw/zinc/00/81/29/525008129.db2.gz YQJXTHOYYDGYDW-ZDUSSCGKSA-N 0 3 250.317 2.193 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)/C=C/c1ccc(F)cc1 ZINC000069132958 525098823 /nfs/dbraw/zinc/09/88/23/525098823.db2.gz BUCPINGFVUJJEW-YFHYCDLPSA-N 0 3 262.328 2.048 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc2ncccc2c1 ZINC000069133231 525101868 /nfs/dbraw/zinc/10/18/68/525101868.db2.gz BOIHFDIDYOCMDQ-TXEJJXNPSA-N 0 3 269.348 2.057 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)Nc1cccc(F)c1 ZINC000069133520 525102064 /nfs/dbraw/zinc/10/20/64/525102064.db2.gz HNDXVSMVEPJBDY-AOOOYVTPSA-N 0 3 251.305 2.040 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN(C(=O)c2c[nH]c(=NN)c(Cl)c2)C1 ZINC000051112253 525207029 /nfs/dbraw/zinc/20/70/29/525207029.db2.gz ZWERNCNSMTVQCP-RKDXNWHRSA-N 0 3 282.775 2.139 10 0 CEAEHN Cc1cc(N[C@@H](C)CN2CCCC2)nc(Cl)n1 ZINC000052814617 525291246 /nfs/dbraw/zinc/29/12/46/525291246.db2.gz JHIRNNRVTQACJH-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN C[C@H](NC[C@H](O)CN1CCCCC1)c1cc(F)ccc1F ZINC000151258410 525405206 /nfs/dbraw/zinc/40/52/06/525405206.db2.gz ZTXDSNKSWCXJCD-JSGCOSHPSA-N 0 3 298.377 2.462 10 0 CEAEHN C[C@@H](N[C@@H]1CCCc2sccc21)C(=O)NC1CC1 ZINC000061362443 525640009 /nfs/dbraw/zinc/64/00/09/525640009.db2.gz XAPVNPAFAPBORZ-BXKDBHETSA-N 0 3 264.394 2.382 10 0 CEAEHN C[C@@](N)(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000061627048 525745485 /nfs/dbraw/zinc/74/54/85/525745485.db2.gz NXVSMAQJLANYPH-ZDUSSCGKSA-N 0 3 286.297 2.449 10 0 CEAEHN C[C@@H](O)c1cccc(NC(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000061655757 525870465 /nfs/dbraw/zinc/87/04/65/525870465.db2.gz BKBCOMNOUFHGGB-IUODEOHRSA-N 0 3 291.395 2.298 10 0 CEAEHN Cc1cnc(CN[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000061320412 526045118 /nfs/dbraw/zinc/04/51/18/526045118.db2.gz HMMIXVPGCJZXIT-MRXNPFEDSA-N 0 3 282.391 2.149 10 0 CEAEHN Cc1ccc(C(C)C)cc1O[C@@H](C)C[C@@](C)(N)C(N)=O ZINC000068650816 526250640 /nfs/dbraw/zinc/25/06/40/526250640.db2.gz FQGUYAIDHPHGJK-BLLLJJGKSA-N 0 3 278.396 2.479 10 0 CEAEHN c1cc(CNC2CC2)c(CN2CCSCC2)o1 ZINC000052425535 526426675 /nfs/dbraw/zinc/42/66/75/526426675.db2.gz ZPPYWBXZQNOFHF-UHFFFAOYSA-N 0 3 252.383 2.080 10 0 CEAEHN c1ccc([C@H]2CN=C(NC[C@@H]3CCOC3)S2)cc1 ZINC000061147018 526498864 /nfs/dbraw/zinc/49/88/64/526498864.db2.gz PNXQXQKLZLLRDQ-WCQYABFASA-N 0 3 262.378 2.457 10 0 CEAEHN c1cn(-c2ccccc2)nc1CN[C@@H]1CN2CCC1CC2 ZINC000061640929 526527431 /nfs/dbraw/zinc/52/74/31/526527431.db2.gz LTZUUVGQOKSNMV-QGZVFWFLSA-N 0 3 282.391 2.056 10 0 CEAEHN Cc1oc(Cn2cc(Br)cn2)cc1CN ZINC000052577458 526776639 /nfs/dbraw/zinc/77/66/39/526776639.db2.gz GACAEHAUAVSGAV-UHFFFAOYSA-N 0 3 270.130 2.054 10 0 CEAEHN N=C(N)c1cc(N2CC[C@H](c3ccccc3)C2)ccn1 ZINC000061814360 526820883 /nfs/dbraw/zinc/82/08/83/526820883.db2.gz WWGRDACNCFZZQC-ZDUSSCGKSA-N 0 3 266.348 2.360 10 0 CEAEHN N=C(N)c1cc(Oc2ccc3c(c2)CCC(=O)N3)ccn1 ZINC000061814541 526822158 /nfs/dbraw/zinc/82/21/58/526822158.db2.gz WFUQCPFQFRSTIF-UHFFFAOYSA-N 0 3 282.303 2.043 10 0 CEAEHN Cc1nc(CN(C)Cc2occc2CN)cs1 ZINC000052505818 526842938 /nfs/dbraw/zinc/84/29/38/526842938.db2.gz LGBRDHHVSKCSLE-UHFFFAOYSA-N 0 3 251.355 2.135 10 0 CEAEHN Cc1sc(C(=O)N[C@@H](C)CN2CCCCC2)cc1N ZINC000049500548 526872983 /nfs/dbraw/zinc/87/29/83/526872983.db2.gz TVUYOFRSWRSHHF-JTQLQIEISA-N 0 3 281.425 2.243 10 0 CEAEHN Cc1nc(N2CCN(C(C)C)CC2)sc1CNC1CC1 ZINC000054997433 526967858 /nfs/dbraw/zinc/96/78/58/526967858.db2.gz UPSKPCOUWVBJPH-UHFFFAOYSA-N 0 3 294.468 2.234 10 0 CEAEHN NC(=S)c1ncccc1CN1CCCCCCC1 ZINC000061659679 527123498 /nfs/dbraw/zinc/12/34/98/527123498.db2.gz AKGDMISCYZHNEQ-UHFFFAOYSA-N 0 3 263.410 2.482 10 0 CEAEHN NC[C@H](c1ccsc1)N(CCO)Cc1ccccc1 ZINC000050513863 527230051 /nfs/dbraw/zinc/23/00/51/527230051.db2.gz JOQYXNGPKUTXFW-OAHLLOKOSA-N 0 3 276.405 2.242 10 0 CEAEHN NCc1ccc(CN2CCN(c3ccc(F)cc3)CC2)o1 ZINC000052418208 527253070 /nfs/dbraw/zinc/25/30/70/527253070.db2.gz RKPCZOVGLUADCJ-UHFFFAOYSA-N 0 3 289.354 2.200 10 0 CEAEHN NNc1cc(C(=O)Nc2cccc3c2CCCC3)ccn1 ZINC000051089851 527273315 /nfs/dbraw/zinc/27/33/15/527273315.db2.gz SOBBOLSZFTZXRW-UHFFFAOYSA-N 0 3 282.347 2.498 10 0 CEAEHN NN=c1cc(C(=O)Nc2cccc3c2CCCC3)cc[nH]1 ZINC000051089851 527273320 /nfs/dbraw/zinc/27/33/20/527273320.db2.gz SOBBOLSZFTZXRW-UHFFFAOYSA-N 0 3 282.347 2.498 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000069142718 527300817 /nfs/dbraw/zinc/30/08/17/527300817.db2.gz BRQGNYCKDPJIIX-HUUCEWRRSA-N 0 3 297.395 2.444 10 0 CEAEHN N[C@@H](CNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000062837884 527332559 /nfs/dbraw/zinc/33/25/59/527332559.db2.gz KNWMGMYRLMTMMX-HNNXBMFYSA-N 0 3 272.323 2.184 10 0 CEAEHN N[C@H](CN1Cc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000050911032 527385525 /nfs/dbraw/zinc/38/55/25/527385525.db2.gz IQTHKWPXBABJCQ-OAHLLOKOSA-N 0 3 282.343 2.431 10 0 CEAEHN N[C@H](Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000059112841 527391065 /nfs/dbraw/zinc/39/10/65/527391065.db2.gz BWNJPGSPACKGDX-GFCCVEGCSA-N 0 3 293.164 2.311 10 0 CEAEHN N[C@H]1CCCN(c2cc(Cl)ccc2Cl)C1=O ZINC000070061986 527402178 /nfs/dbraw/zinc/40/21/78/527402178.db2.gz LFNCDKARWOLIHG-VIFPVBQESA-N 0 3 259.136 2.448 10 0 CEAEHN Nc1ccccc1CCN1CCN(c2ccccn2)CC1 ZINC000052918203 527526185 /nfs/dbraw/zinc/52/61/85/527526185.db2.gz UZVOTVKEXQVGPO-UHFFFAOYSA-N 0 3 282.391 2.029 10 0 CEAEHN FC(F)(F)CO[C@H]1CCC[C@@H](NCc2cncnc2)C1 ZINC000054767840 527671435 /nfs/dbraw/zinc/67/14/35/527671435.db2.gz DKXNXBYNBPCDIP-NEPJUHHUSA-N 0 3 289.301 2.456 10 0 CEAEHN CCCC1(CNC(=O)N2CCN3CCC[C@H]3C2)CCC1 ZINC000177250861 528047946 /nfs/dbraw/zinc/04/79/46/528047946.db2.gz NHNDKRQLAMHNTE-AWEZNQCLSA-N 0 3 279.428 2.446 10 0 CEAEHN CCO[C@H]1C[C@@H](N(C)CCN2CCCC2=O)C12CCCC2 ZINC000121125144 528072973 /nfs/dbraw/zinc/07/29/73/528072973.db2.gz QDZPPNQCPAWEEU-CABCVRRESA-N 0 3 294.439 2.278 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000262707927 535953287 /nfs/dbraw/zinc/95/32/87/535953287.db2.gz NVCRHLRJTYGLLU-GUTXKFCHSA-N 0 3 295.427 2.152 10 0 CEAEHN CCn1cccc1CN[C@H]1CCCN(c2ncccn2)C1 ZINC000091024686 536102084 /nfs/dbraw/zinc/10/20/84/536102084.db2.gz VSWGSLKYVZNQPO-AWEZNQCLSA-N 0 3 285.395 2.057 10 0 CEAEHN CC1(C)CN[C@]2(CCCSC2)O[C@]12CCCOC2 ZINC000757147245 574510459 /nfs/dbraw/zinc/51/04/59/574510459.db2.gz SBIHPUJWQGFMDH-UONOGXRCSA-N 0 3 271.426 2.405 10 0 CEAEHN CC(C)CN=[S@@](=O)(c1ccc(N)cc1)N(C)C ZINC000675073820 574511361 /nfs/dbraw/zinc/51/13/61/574511361.db2.gz BOWSOUNKHIQDOX-KRWDZBQOSA-N 0 3 255.387 2.228 10 0 CEAEHN CN(C(=O)C1(N)CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000261892393 623567506 /nfs/dbraw/zinc/56/75/06/623567506.db2.gz QRIZUJFTKWFSIV-UHFFFAOYSA-N 0 3 290.407 2.455 10 0 CEAEHN COc1ccc(CN[C@@H](C)[C@@H](C)O)c(Br)c1 ZINC000309912564 628228134 /nfs/dbraw/zinc/22/81/34/628228134.db2.gz NOCKCJTXRYNXNV-DTWKUNHWSA-N 0 3 288.185 2.317 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000237002629 629249427 /nfs/dbraw/zinc/24/94/27/629249427.db2.gz PFBYIVCJJAIVES-KGLIPLIRSA-N 0 3 264.344 2.447 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1nc2c(cccc2Cl)[nH]1 ZINC000262144915 629935523 /nfs/dbraw/zinc/93/55/23/629935523.db2.gz PWHWPSFWMZNSHG-MRVPVSSYSA-N 0 3 266.732 2.282 10 0 CEAEHN COCCN(C)C[C@H](O)c1ccc2ccccc2c1 ZINC000042256236 632933624 /nfs/dbraw/zinc/93/36/24/632933624.db2.gz QOOJGPDWVWJPCC-INIZCTEOSA-N 0 3 259.349 2.451 10 0 CEAEHN C[C@H](NCC1OCCO1)c1cccc(Br)c1 ZINC000180239338 641436326 /nfs/dbraw/zinc/43/63/26/641436326.db2.gz HWMKMMDHCILVGB-VIFPVBQESA-N 0 3 286.169 2.473 10 0 CEAEHN CN(C[C@@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000113315213 644333203 /nfs/dbraw/zinc/33/32/03/644333203.db2.gz FUIHTMGBYKDELT-CHWSQXEVSA-N 0 3 289.297 2.460 10 0 CEAEHN C[C@H](NCC[S@@](C)=O)c1ccc(Cl)s1 ZINC000133794554 652719460 /nfs/dbraw/zinc/71/94/60/652719460.db2.gz JYCVRWFDGZAVMN-WJWGPLDTSA-N 0 3 251.804 2.431 10 0 CEAEHN Cc1nc2ccccc2nc1N1CCN2CCC[C@H]2C1 ZINC000248903276 282088494 /nfs/dbraw/zinc/08/84/94/282088494.db2.gz VJKKEBYURUOMML-ZDUSSCGKSA-N 0 3 268.364 2.223 10 0 CEAEHN COCc1nc(N2CCCC2)sc1CNC1CC1 ZINC000082447128 178025843 /nfs/dbraw/zinc/02/58/43/178025843.db2.gz PBNKENDGHISSAP-UHFFFAOYSA-N 0 3 267.398 2.142 10 0 CEAEHN CN(C)CCN(C)c1ccc(N)cc1Br ZINC000082539814 178088978 /nfs/dbraw/zinc/08/89/78/178088978.db2.gz XJSMADBQAVKBIY-UHFFFAOYSA-N 0 3 272.190 2.029 10 0 CEAEHN C[C@](N)(CCO)c1cc(Br)cs1 ZINC000082554917 178089051 /nfs/dbraw/zinc/08/90/51/178089051.db2.gz BKWUOHYONFBYTO-QMMMGPOBSA-N 0 3 250.161 2.067 10 0 CEAEHN CCn1cncc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124622012 187145676 /nfs/dbraw/zinc/14/56/76/187145676.db2.gz DQBLWYLEFDOQRD-XHSDSOJGSA-N 0 3 277.412 2.419 10 0 CEAEHN COC(=O)CCSc1cccc(Cl)c1CN ZINC000082616131 178126705 /nfs/dbraw/zinc/12/67/05/178126705.db2.gz GYAQRRQKGQEJLN-UHFFFAOYSA-N 0 3 259.758 2.454 10 0 CEAEHN NCc1cn2cc(Br)cc(Cl)c2n1 ZINC000082694413 178189211 /nfs/dbraw/zinc/18/92/11/178189211.db2.gz FHQLMFXKWOPBQA-UHFFFAOYSA-N 0 3 260.522 2.209 10 0 CEAEHN CSCC[C@@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939146 361798454 /nfs/dbraw/zinc/79/84/54/361798454.db2.gz VAAKPWVJPWBAEC-MRVPVSSYSA-N 0 3 279.365 2.087 10 0 CEAEHN O=C(c1cc2c(cc1Cl)OCCO2)[C@H]1CCCN1 ZINC000082722144 178237307 /nfs/dbraw/zinc/23/73/07/178237307.db2.gz HNKFPVNZXORTNE-SNVBAGLBSA-N 0 3 267.712 2.046 10 0 CEAEHN CNC(=O)[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000124805944 187154992 /nfs/dbraw/zinc/15/49/92/187154992.db2.gz QAVIBZNZZLAPGS-AWEZNQCLSA-N 0 3 283.375 2.193 10 0 CEAEHN CNCC[S@](=O)c1cc(Cl)ccc1Cl ZINC000082744563 178269271 /nfs/dbraw/zinc/26/92/71/178269271.db2.gz CPLVSJMOGDUHHA-CQSZACIVSA-N 0 3 252.166 2.320 10 0 CEAEHN CC(C)c1csc(CNC(=O)N2CC[C@@H](N(C)C)C2)n1 ZINC000121790163 365614733 /nfs/dbraw/zinc/61/47/33/365614733.db2.gz AJBLAJCDNUEWTG-LLVKDONJSA-N 0 3 296.440 2.112 10 0 CEAEHN COCCN1CC[C@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076055 185090253 /nfs/dbraw/zinc/09/02/53/185090253.db2.gz AGIAZTUWNSBWFH-INIZCTEOSA-N 0 3 278.371 2.122 10 0 CEAEHN FC(F)(F)[C@@H]1CCN(Cc2ccccc2)CCN1 ZINC000096897572 185125341 /nfs/dbraw/zinc/12/53/41/185125341.db2.gz LRQZRBYSHHJXHA-LBPRGKRZSA-N 0 3 258.287 2.413 10 0 CEAEHN CCN1CCNC[C@@H]1c1ccc(Br)o1 ZINC000083431229 178440922 /nfs/dbraw/zinc/44/09/22/178440922.db2.gz KCVIWPFPZIXRNN-MRVPVSSYSA-N 0 3 259.147 2.008 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC(=O)C1(N)CCCC1 ZINC000037616405 361913013 /nfs/dbraw/zinc/91/30/13/361913013.db2.gz PBVMEMSCPIJSGN-LBPRGKRZSA-N 0 3 276.380 2.452 10 0 CEAEHN Clc1ccc2c(c1)snc2N1CCNCC1 ZINC000038954907 361986653 /nfs/dbraw/zinc/98/66/53/361986653.db2.gz FIOIXMFNRBMCOZ-UHFFFAOYSA-N 0 3 253.758 2.359 10 0 in-vitro CEAEHN Cc1cc(NC[C@H]2CCS(=O)(=O)C2)c2ccccc2n1 ZINC000037982228 361971218 /nfs/dbraw/zinc/97/12/18/361971218.db2.gz GOBPKLGDJHZCBU-GFCCVEGCSA-N 0 3 290.388 2.390 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC(C)(C)CO)c1C ZINC000122057082 539032860 /nfs/dbraw/zinc/03/28/60/539032860.db2.gz YPGSLOUJLPRGCD-JTQLQIEISA-N 0 3 253.390 2.189 10 0 CEAEHN CCc1cc(Br)cc2c1NC(=O)C2C(=O)OC ZINC000725256226 539202350 /nfs/dbraw/zinc/20/23/50/539202350.db2.gz XTJRTYUMDRMOQP-SECBINFHSA-N 0 3 298.136 2.220 10 0 CEAEHN Cc1cc(CN2CCN3CCCC[C@H]3C2)sn1 ZINC000404492859 539203822 /nfs/dbraw/zinc/20/38/22/539203822.db2.gz CPORFOCUEONDJL-LBPRGKRZSA-N 0 3 251.399 2.122 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)NC[C@@H](O)COC(C)(C)C ZINC000092339408 539231008 /nfs/dbraw/zinc/23/10/08/539231008.db2.gz BFDCCPSEFHYXBA-BXKDBHETSA-N 0 3 270.373 2.118 10 0 CEAEHN Cc1nccnc1NC[C@H]1NCCc2ccccc21 ZINC000261589461 282220545 /nfs/dbraw/zinc/22/05/45/282220545.db2.gz KTXPMXZHWYFRHR-CQSZACIVSA-N 0 3 254.337 2.084 10 0 CEAEHN C[C@H]1CN(Cc2ccccc2N2CCOCC2)CCS1 ZINC000131406255 136389139 /nfs/dbraw/zinc/38/91/39/136389139.db2.gz MHBAHTDGNPGXEG-AWEZNQCLSA-N 0 3 292.448 2.461 10 0 CEAEHN COc1cc(C)c(CN2CC[C@H](CCO)C2)cc1OC ZINC000128037619 187347349 /nfs/dbraw/zinc/34/73/49/187347349.db2.gz IETFAFXLEVEXKV-CYBMUJFWSA-N 0 3 279.380 2.217 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccccc2OC(C)C)C1 ZINC000134435671 344374349 /nfs/dbraw/zinc/37/43/49/344374349.db2.gz DVCLDKATIWDSAI-INIZCTEOSA-N 0 3 292.423 2.284 10 0 CEAEHN C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@H](N(C)C)C1 ZINC000158682199 344451790 /nfs/dbraw/zinc/45/17/90/344451790.db2.gz KJFFUAQFLRYVNH-JSGCOSHPSA-N 0 3 278.371 2.167 10 0 CEAEHN C[C@H](CN1c2ccc(N)cc2CCC1=O)N1CCCC1 ZINC000167674067 344479269 /nfs/dbraw/zinc/47/92/69/344479269.db2.gz RBAHWVNJIMAJCP-GFCCVEGCSA-N 0 3 273.380 2.032 10 0 CEAEHN CCC1CCC(NC(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000170832308 344491061 /nfs/dbraw/zinc/49/10/61/344491061.db2.gz LWVOCSHCUGHPLW-JXQTWKCFSA-N 0 3 267.417 2.301 10 0 CEAEHN C[C@@H](CCc1ccccc1)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170861694 344491632 /nfs/dbraw/zinc/49/16/32/344491632.db2.gz SKUWVWJLOVHCKL-HOCLYGCPSA-N 0 3 289.423 2.353 10 0 CEAEHN C[C@@H](CCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861699 344491652 /nfs/dbraw/zinc/49/16/52/344491652.db2.gz SKUWVWJLOVHCKL-GOEBONIOSA-N 0 3 289.423 2.353 10 0 CEAEHN CCOc1ccccc1CCC(=O)N1CC[C@H](N(C)C)C1 ZINC000170859621 344491718 /nfs/dbraw/zinc/49/17/18/344491718.db2.gz VYTYYCQRLMFCNQ-HNNXBMFYSA-N 0 3 290.407 2.180 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000170868200 344491813 /nfs/dbraw/zinc/49/18/13/344491813.db2.gz ZKZGGVDAHBDZPL-MAUKXSAKSA-N 0 3 286.419 2.443 10 0 CEAEHN C[C@H](CCc1ccccc1)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170861697 344492086 /nfs/dbraw/zinc/49/20/86/344492086.db2.gz SKUWVWJLOVHCKL-ZBFHGGJFSA-N 0 3 289.423 2.353 10 0 CEAEHN NCc1cc(Br)cnc1OC1CCC1 ZINC000051521774 362430671 /nfs/dbraw/zinc/43/06/71/362430671.db2.gz NLXSXCOOHRUYAA-UHFFFAOYSA-N 0 3 257.131 2.234 10 0 CEAEHN O[C@H]1CCCC[C@H]1NCc1cnn(-c2ccccc2)c1 ZINC000051991121 362455388 /nfs/dbraw/zinc/45/53/88/362455388.db2.gz VRURDNKGZSVWBI-CVEARBPZSA-N 0 3 271.364 2.265 10 0 CEAEHN N[C@H](C[C@H]1CCOC1)c1ccc(Br)o1 ZINC000306591805 344715062 /nfs/dbraw/zinc/71/50/62/344715062.db2.gz VUSOKYSSVQNKEI-HTQZYQBOSA-N 0 3 260.131 2.469 10 0 CEAEHN C[C@H]1CN[C@@]2(CCN(C(=O)OC(C)(C)C)C2)S1 ZINC000306586128 344715164 /nfs/dbraw/zinc/71/51/64/344715164.db2.gz RDBUOXUHBWPXHS-CABZTGNLSA-N 0 3 258.387 2.048 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CO[C@H](C)C2)c1C ZINC000402280786 344872184 /nfs/dbraw/zinc/87/21/84/344872184.db2.gz FZROYFMIGJBADW-NRUUGDAUSA-N 0 3 251.374 2.348 10 0 CEAEHN CCC[C@@](CN)(C(=O)OCC)c1cccc(OC)c1 ZINC000584595468 344961086 /nfs/dbraw/zinc/96/10/86/344961086.db2.gz YGDDAVYDQVEEPG-HNNXBMFYSA-N 0 3 265.353 2.255 10 0 CEAEHN CCN(CC)CCN(C)N[C@@H](C)Cc1ccccc1 ZINC000584601717 344962989 /nfs/dbraw/zinc/96/29/89/344962989.db2.gz MVYDUHOBDUCMIS-HNNXBMFYSA-N 0 3 263.429 2.396 10 0 CEAEHN C[C@@H](C[C@@](C)(NC1CC1)C(N)=O)Oc1cc(F)cc(F)c1 ZINC000084397134 178882249 /nfs/dbraw/zinc/88/22/49/178882249.db2.gz FULDFSZZHNZDLX-BJOHPYRUSA-N 0 3 298.333 2.118 10 0 CEAEHN CN(CCO)CCN(C)Cc1ccc(Cl)cc1Cl ZINC000623091551 349935377 /nfs/dbraw/zinc/93/53/77/349935377.db2.gz HSEHCLFHQYKREF-UHFFFAOYSA-N 0 3 291.222 2.349 10 0 CEAEHN CN[C@H](CCC[C@H]1CCCO1)c1snnc1C ZINC000097234796 185570057 /nfs/dbraw/zinc/57/00/57/185570057.db2.gz KQROJHHWLNZPQB-WDEREUQCSA-N 0 3 255.387 2.456 10 0 CEAEHN COCCCN(CCOC)C[C@@H]1C(=O)C[C@@H](C)C[C@@H]1C ZINC000084939768 178932504 /nfs/dbraw/zinc/93/25/04/178932504.db2.gz HUHJCSNCPUAIAD-KKUMJFAQSA-N 0 3 285.428 2.223 10 0 CEAEHN CNCc1ccc(CN2CCN(C)c3ccccc32)nc1 ZINC000094758594 136514557 /nfs/dbraw/zinc/51/45/57/136514557.db2.gz LSHRPVRMZQXLDJ-UHFFFAOYSA-N 0 3 282.391 2.257 10 0 CEAEHN C[C@@](CO)(CSc1ccc(F)cc1)NC1CC1 ZINC000085291615 179007060 /nfs/dbraw/zinc/00/70/60/179007060.db2.gz GGRYXAWDJLRMPL-CYBMUJFWSA-N 0 3 255.358 2.421 10 0 CEAEHN c1ccc([C@@H]2CN(C[C@@H]3CCCCO3)CCN2)cc1 ZINC000085435430 179062315 /nfs/dbraw/zinc/06/23/15/179062315.db2.gz GXCGJFXIGLATEM-HOTGVXAUSA-N 0 3 260.381 2.202 10 0 CEAEHN C[C@H]1CN[C@@H](c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085504577 179084932 /nfs/dbraw/zinc/08/49/32/179084932.db2.gz UVYYSTJQTBSAPN-CWRNSKLLSA-N 0 3 260.381 2.200 10 0 CEAEHN Cc1ccc(F)c(OCC[C@@](C)(NC(C)C)C(N)=O)c1 ZINC000085560349 179093950 /nfs/dbraw/zinc/09/39/50/179093950.db2.gz OEBNPLXYBSBJOE-OAHLLOKOSA-N 0 3 282.359 2.145 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1cc(C)ccc1F)C(N)=O ZINC000085560536 179094448 /nfs/dbraw/zinc/09/44/48/179094448.db2.gz PVULUMOJMYFWJD-ABAIWWIYSA-N 0 3 282.359 2.145 10 0 CEAEHN Cc1ccc(F)c(OC[C@@](O)(CN)c2ccccc2)c1 ZINC000085565304 179095441 /nfs/dbraw/zinc/09/54/41/179095441.db2.gz DNCLZTCRQBKSHN-INIZCTEOSA-N 0 3 275.323 2.359 10 0 CEAEHN CC(C)(C)c1nc2c(n1[C@H]1CN3CCC1CC3)CCNC2 ZINC000085568712 179095581 /nfs/dbraw/zinc/09/55/81/179095581.db2.gz ZECBNUKSABAZQV-HNNXBMFYSA-N 0 3 288.439 2.093 10 0 CEAEHN COc1cccc(CN2CCC[C@H](c3nncn3C)C2)c1 ZINC000065287765 362808378 /nfs/dbraw/zinc/80/83/78/362808378.db2.gz QMNUANUTXVVUDP-AWEZNQCLSA-N 0 3 286.379 2.203 10 0 CEAEHN CCN[C@@H](c1ccc(CC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000086020952 179217952 /nfs/dbraw/zinc/21/79/52/179217952.db2.gz NNWLACZKTJFJFN-ZWNOBZJWSA-N 0 3 287.450 2.396 10 0 CEAEHN C[C@H](NC[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1 ZINC000085986243 179212543 /nfs/dbraw/zinc/21/25/43/179212543.db2.gz PMXBRNOPOTXSIM-GUTXKFCHSA-N 0 3 276.380 2.154 10 0 CEAEHN CC[C@@H]1CC[C@@H](NCc2c(OC)ncnc2OC)[C@@H]1C ZINC000086083924 179228886 /nfs/dbraw/zinc/22/88/86/179228886.db2.gz KDGMFKRWKRCEDT-NQBHXWOUSA-N 0 3 279.384 2.408 10 0 CEAEHN CN1CCC[C@H](NCc2ccc3ccccc3n2)C1 ZINC000086317575 179270575 /nfs/dbraw/zinc/27/05/75/179270575.db2.gz AYUNBODWKFTHSB-HNNXBMFYSA-N 0 3 255.365 2.419 10 0 CEAEHN COC(=O)c1cccnc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000336835014 365903793 /nfs/dbraw/zinc/90/37/93/365903793.db2.gz SZQQPPUZPLRINS-CHWSQXEVSA-N 0 3 274.364 2.490 10 0 CEAEHN CN(C[C@H]1CCN(C)C1)c1nc(Br)cs1 ZINC000086291182 179265793 /nfs/dbraw/zinc/26/57/93/179265793.db2.gz RNXCRHBWXBJPAI-QMMMGPOBSA-N 0 3 290.230 2.294 10 0 CEAEHN CCN(CC)[C@H](CNC(=O)[C@@H](C)COC)c1ccccc1 ZINC000103360144 185832442 /nfs/dbraw/zinc/83/24/42/185832442.db2.gz JRCOPWVIQRZVEA-GOEBONIOSA-N 0 3 292.423 2.468 10 0 CEAEHN CCOCCN(CC)c1nc2c(s1)CCC[C@H]2N ZINC000086444187 179294052 /nfs/dbraw/zinc/29/40/52/179294052.db2.gz XICJCKLMGXQREN-SNVBAGLBSA-N 0 3 269.414 2.342 10 0 CEAEHN CCCN(CCN(C)C)c1nc2c(s1)CCC[C@@H]2O ZINC000086444628 179294447 /nfs/dbraw/zinc/29/44/47/179294447.db2.gz CLQYVPFWYPMPST-NSHDSACASA-N 0 3 283.441 2.291 10 0 CEAEHN CC[C@@H]1CN(C(=O)NC2CCCCC2)[C@@H](CC)CN1 ZINC000086448226 179295909 /nfs/dbraw/zinc/29/59/09/179295909.db2.gz PTFOLWMJKJVOJU-OCCSQVGLSA-N 0 3 267.417 2.491 10 0 CEAEHN CC[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)[C@@H](CC)CN1 ZINC000086447174 179295958 /nfs/dbraw/zinc/29/59/58/179295958.db2.gz FDHLFTSWXMNNKQ-QWRGUYRKSA-N 0 3 269.776 2.271 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCSCC2)cc1Cl ZINC000086586394 179310140 /nfs/dbraw/zinc/31/01/40/179310140.db2.gz NEUIBLKONABOGK-GFCCVEGCSA-N 0 3 286.828 2.397 10 0 CEAEHN COc1ccc([C@H](CN)N2CCCOCC2)cc1Cl ZINC000086595107 179310585 /nfs/dbraw/zinc/31/05/85/179310585.db2.gz VFYMPSSBSFCPOV-ZDUSSCGKSA-N 0 3 284.787 2.071 10 0 CEAEHN Cc1nc(Sc2ncccc2CN)nc(C)c1C ZINC000086644059 179315968 /nfs/dbraw/zinc/31/59/68/179315968.db2.gz ZSAQEKQBVKUFRU-UHFFFAOYSA-N 0 3 260.366 2.407 10 0 CEAEHN CN(C)CCNCc1cc(F)cc(Br)c1 ZINC000086694491 179320840 /nfs/dbraw/zinc/32/08/40/179320840.db2.gz BFWMFAFHDXOAHP-UHFFFAOYSA-N 0 3 275.165 2.239 10 0 CEAEHN CCC(CC)(CC)NS(=O)(=O)c1cccc(CN)c1 ZINC000086642858 179316021 /nfs/dbraw/zinc/31/60/21/179316021.db2.gz QPDFEKQCRGYRLK-UHFFFAOYSA-N 0 3 284.425 2.392 10 0 CEAEHN OC1CC(NCc2cc(F)cc(Br)c2)C1 ZINC000086694694 179320465 /nfs/dbraw/zinc/32/04/65/179320465.db2.gz RWGJJYNLPYLANY-UHFFFAOYSA-N 0 3 274.133 2.201 10 0 CEAEHN CC[C@](C)(N)c1nnc2ccc(Br)cn21 ZINC000086797988 179336474 /nfs/dbraw/zinc/33/64/74/179336474.db2.gz OAASXETXOQEKBF-JTQLQIEISA-N 0 3 269.146 2.076 10 0 CEAEHN CN1CCC[C@](O)(c2ccc(F)c(F)c2F)CC1 ZINC000086833854 179349378 /nfs/dbraw/zinc/34/93/78/179349378.db2.gz LZSAKZLSSRCDAS-CYBMUJFWSA-N 0 3 259.271 2.407 10 0 CEAEHN CCOC(=O)[C@]1(NCC(C)C)CCCN(CC)CC1 ZINC000086850296 179357456 /nfs/dbraw/zinc/35/74/56/179357456.db2.gz GBVKEQQWRALMBH-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN1CCC[C@@](O)(c2cc(Cl)cnc2N)CC1 ZINC000086852298 179359728 /nfs/dbraw/zinc/35/97/28/179359728.db2.gz JUVQWIVUFPGADA-ZDUSSCGKSA-N 0 3 269.776 2.011 10 0 CEAEHN CCN1CCC[C@](N)(c2noc(C(C)(C)C)n2)CC1 ZINC000086851781 179359981 /nfs/dbraw/zinc/35/99/81/179359981.db2.gz DSWNRMCQSRIDGT-CQSZACIVSA-N 0 3 266.389 2.027 10 0 CEAEHN CCCN1CCC[C@@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869069 179361301 /nfs/dbraw/zinc/36/13/01/179361301.db2.gz LYEGNWFJPPCKCL-CQSZACIVSA-N 0 3 282.428 2.438 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869206 179361675 /nfs/dbraw/zinc/36/16/75/179361675.db2.gz SNYQCNLIYMVTRZ-ZIAGYGMSSA-N 0 3 268.401 2.188 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@H+]2CCC[C@@H]2CC(=O)[O-])CC1 ZINC000086869206 179361676 /nfs/dbraw/zinc/36/16/76/179361676.db2.gz SNYQCNLIYMVTRZ-ZIAGYGMSSA-N 0 3 268.401 2.188 10 0 CEAEHN CC(C)N1CCC[C@@](N)(c2noc(C(F)(F)F)n2)CC1 ZINC000086851786 179359076 /nfs/dbraw/zinc/35/90/76/179359076.db2.gz TZACBUCMEYNLLD-NSHDSACASA-N 0 3 292.305 2.137 10 0 CEAEHN CN[C@]1(c2nccs2)CCCN(C(C)C)CC1 ZINC000086851373 179359179 /nfs/dbraw/zinc/35/91/79/179359179.db2.gz GPOFXLJZGLTDIZ-CYBMUJFWSA-N 0 3 253.415 2.452 10 0 CEAEHN CC[C@H]1CCC[C@@](NCCN(C)C)(C(=O)OC)CC1 ZINC000086915923 179367420 /nfs/dbraw/zinc/36/74/20/179367420.db2.gz SIGNFZZXIDGTPK-ZFWWWQNUSA-N 0 3 270.417 2.040 10 0 CEAEHN CCn1nccc1[C@H](NC)[C@@H]1CSCCS1 ZINC000086984811 179373965 /nfs/dbraw/zinc/37/39/65/179373965.db2.gz USRAECFTUZKURR-QWRGUYRKSA-N 0 3 257.428 2.012 10 0 CEAEHN CCC(O)(CC)CNCC(=O)Nc1cccc(Cl)c1 ZINC000087028542 179382066 /nfs/dbraw/zinc/38/20/66/179382066.db2.gz LYEIYDLGKBLOKB-UHFFFAOYSA-N 0 3 284.787 2.419 10 0 CEAEHN CS(=O)(=O)c1ccc([C@H]2CNCC3(CCCC3)O2)cc1 ZINC000087007794 179378724 /nfs/dbraw/zinc/37/87/24/179378724.db2.gz GLMBRANIRCHSTO-CQSZACIVSA-N 0 3 295.404 2.064 10 0 CEAEHN C[C@H](NC[C@]1(O)CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000087048908 179388363 /nfs/dbraw/zinc/38/83/63/179388363.db2.gz MRSAVVRZRSYEIH-DYEKYZERSA-N 0 3 251.374 2.012 10 0 CEAEHN C[C@@H]1CCC[C@](O)(CNC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000087052343 179388984 /nfs/dbraw/zinc/38/89/84/179388984.db2.gz XRSFLOSKWRPSPG-MLGOLLRUSA-N 0 3 298.427 2.137 10 0 CEAEHN C[C@H](NCC1(O)CCC(C)(C)CC1)C(=O)NC1CCCC1 ZINC000087063417 179389996 /nfs/dbraw/zinc/38/99/96/179389996.db2.gz GEXQLDOGXYBVOV-ZDUSSCGKSA-N 0 3 296.455 2.355 10 0 CEAEHN Cc1nc(C)c(CN2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000670991205 539614318 /nfs/dbraw/zinc/61/43/18/539614318.db2.gz GYHMLUBKOZYNIB-ZFWWWQNUSA-N 0 3 264.369 2.418 10 0 CEAEHN N[C@H]1CCN(c2ccc(Cl)c(Br)c2)C1=O ZINC000087153166 179397779 /nfs/dbraw/zinc/39/77/79/179397779.db2.gz FDXNSNWYGBNOMP-VIFPVBQESA-N 0 3 289.560 2.167 10 0 CEAEHN CN1CC[C@](O)(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000087166273 179398835 /nfs/dbraw/zinc/39/88/35/179398835.db2.gz LLIWIBBMSPJDPS-LBPRGKRZSA-N 0 3 275.270 2.194 10 0 CEAEHN C[C@@H](NCC(=O)N(C)[C@H]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000248563588 539636781 /nfs/dbraw/zinc/63/67/81/539636781.db2.gz DHYIMHCAVPPDRX-APIJFGDWSA-N 0 3 282.428 2.181 10 0 CEAEHN CC(C)(C)N1CCNC[C@H]1c1cc2ccccc2nn1 ZINC000616635602 348542135 /nfs/dbraw/zinc/54/21/35/348542135.db2.gz IKFCLYNMBRPFEB-HNNXBMFYSA-N 0 3 270.380 2.375 10 0 CEAEHN CCN1CCOCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616656645 348549941 /nfs/dbraw/zinc/54/99/41/348549941.db2.gz WSOAOBIQPWPPMP-LBPRGKRZSA-N 0 3 272.389 2.012 10 0 CEAEHN CCCN[C@@H](c1ccccc1OC)[C@H]1COCCO1 ZINC000087858692 179502760 /nfs/dbraw/zinc/50/27/60/179502760.db2.gz PJHUOVHRFHCURJ-CABCVRRESA-N 0 3 265.353 2.151 10 0 CEAEHN OCCN1CCCC[C@H]1c1ccc2nnccc2c1 ZINC000616616697 348535804 /nfs/dbraw/zinc/53/58/04/348535804.db2.gz UJSLBHDZPDWUAF-HNNXBMFYSA-N 0 3 257.337 2.149 10 0 CEAEHN CCOC(=O)c1ccccc1C1CCN(CCO)CC1 ZINC000616619983 348536388 /nfs/dbraw/zinc/53/63/88/348536388.db2.gz TXKKCYFRRHMWIZ-UHFFFAOYSA-N 0 3 277.364 2.035 10 0 CEAEHN OCCN1CCC(c2cccc3cccnc32)CC1 ZINC000616619394 348536652 /nfs/dbraw/zinc/53/66/52/348536652.db2.gz IXQXYOHRDNSRGR-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN OCCc1ccc([C@H]2NCCc3ccccc32)cc1 ZINC000616680139 348558952 /nfs/dbraw/zinc/55/89/52/348558952.db2.gz INXBPDJIHZOXNT-QGZVFWFLSA-N 0 3 253.345 2.457 10 0 CEAEHN CSCC[C@H](N)C(=O)N[C@@H]1CCCCC[C@@H]1C ZINC000088514293 179616196 /nfs/dbraw/zinc/61/61/96/179616196.db2.gz KJKMIMZVZFIBPE-SDDRHHMPSA-N 0 3 258.431 2.152 10 0 CEAEHN CCn1nc(C)cc1CN[C@]1(CO)CCC[C@@H](C)C1 ZINC000089183842 179745884 /nfs/dbraw/zinc/74/58/84/179745884.db2.gz PSZSFESWWLXEMY-IUODEOHRSA-N 0 3 265.401 2.242 10 0 CEAEHN C[C@H]1C[C@H](O)CN(CCSc2ccccc2)C1 ZINC000401597179 233183575 /nfs/dbraw/zinc/18/35/75/233183575.db2.gz WTZGVFJDLUVKQE-STQMWFEESA-N 0 3 251.395 2.481 10 0 CEAEHN CCN[C@H](Cc1c(Cl)c(C)nn1CC)c1cnn(C)c1 ZINC000089297747 179766820 /nfs/dbraw/zinc/76/68/20/179766820.db2.gz FJIKQZFLCHWUPI-GFCCVEGCSA-N 0 3 295.818 2.492 10 0 CEAEHN Cc1cc(C)c([C@H](C)N[C@H]2CCC(=O)N(C)C2=O)c(C)c1 ZINC000090024665 179907444 /nfs/dbraw/zinc/90/74/44/179907444.db2.gz HZCUXRNDCLVUCS-KBPBESRZSA-N 0 3 288.391 2.410 10 0 CEAEHN CN[C@@H]1COC[C@H]1c1nc(-c2ccc(F)cc2Cl)no1 ZINC000090423945 179984630 /nfs/dbraw/zinc/98/46/30/179984630.db2.gz SDZUTFZFBAEGJC-MWLCHTKSSA-N 0 3 297.717 2.231 10 0 CEAEHN CCCn1c2ccc(F)cc2nc1[C@@]1(C)COC[C@H]1N ZINC000090571723 180007898 /nfs/dbraw/zinc/00/78/98/180007898.db2.gz WBAJJIFLDQECMO-HIFRSBDPSA-N 0 3 277.343 2.201 10 0 CEAEHN Cc1cc(OC(C)C)ccc1NC(=O)[C@]1(C)COC[C@@H]1N ZINC000090590069 180010346 /nfs/dbraw/zinc/01/03/46/180010346.db2.gz WDVAKIHCECJIGI-GOEBONIOSA-N 0 3 292.379 2.085 10 0 CEAEHN CCN(C(=O)[C@]1(C)COC[C@@H]1N)[C@@H](C)c1ccc(F)cc1 ZINC000090593617 180010416 /nfs/dbraw/zinc/01/04/16/180010416.db2.gz OUOUJCGSABCAJT-HZUKXOBISA-N 0 3 294.370 2.099 10 0 CEAEHN CC(C)CCCCCCNC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090598587 180010525 /nfs/dbraw/zinc/01/05/25/180010525.db2.gz MTSAEXZCIAWOAK-ZFWWWQNUSA-N 0 3 270.417 2.073 10 0 CEAEHN NC1CN(C(=O)Cc2ccc(Oc3ccccc3)cc2)C1 ZINC000090601071 180011142 /nfs/dbraw/zinc/01/11/42/180011142.db2.gz LNIOIWHCCPMWHM-UHFFFAOYSA-N 0 3 282.343 2.191 10 0 CEAEHN CC(C)NC(=O)N1CCCSC[C@H]1CN1CCCCC1 ZINC000090701791 180028141 /nfs/dbraw/zinc/02/81/41/180028141.db2.gz XJJRSASUSLRJDR-CQSZACIVSA-N 0 3 299.484 2.398 10 0 CEAEHN CCOc1ncnc(NC[C@@H]2CCCN2CC)c1C ZINC000090790670 180041792 /nfs/dbraw/zinc/04/17/92/180041792.db2.gz BTELDDNDDAJMGV-LBPRGKRZSA-N 0 3 264.373 2.080 10 0 CEAEHN C[C@H](CN[C@@H]1CSCc2ccccc21)[S@](C)=O ZINC000090842873 180044109 /nfs/dbraw/zinc/04/41/09/180044109.db2.gz UFGOYOPKLHCWKD-OMXAPOSASA-N 0 3 269.435 2.331 10 0 CEAEHN CCNCc1cnc(C)n1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895631 180055831 /nfs/dbraw/zinc/05/58/31/180055831.db2.gz LUUGGRVSBDCPJW-HNNXBMFYSA-N 0 3 289.354 2.444 10 0 CEAEHN Cc1ccc2c(c1)C[C@@H](CNCc1cnc(C)cn1)O2 ZINC000090897969 180057040 /nfs/dbraw/zinc/05/70/40/180057040.db2.gz NTOZBRKPWOSMOD-HNNXBMFYSA-N 0 3 269.348 2.187 10 0 CEAEHN O[C@H]1CCCN(C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900884 180058732 /nfs/dbraw/zinc/05/87/32/180058732.db2.gz ZCSKAILZBKPEPO-STQMWFEESA-N 0 3 267.756 2.100 10 0 CEAEHN COC(=O)[C@H](C)CN(C)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900864 180059349 /nfs/dbraw/zinc/05/93/49/180059349.db2.gz MSSZJPNJSHPBGP-MFKMUULPSA-N 0 3 297.782 2.384 10 0 CEAEHN NC[C@H](c1ccc(OC(F)F)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905903 180060885 /nfs/dbraw/zinc/06/08/85/180060885.db2.gz ZDUYVXAMCJUMSP-HZSPNIEDSA-N 0 3 298.333 2.151 10 0 CEAEHN Cc1c([C@H](C)NCc2sccc2N)cnn1C ZINC000090960138 180075440 /nfs/dbraw/zinc/07/54/40/180075440.db2.gz NBCBUHCZMYMZFM-QMMMGPOBSA-N 0 3 250.371 2.223 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@@H]1CCCC[C@@H]1O ZINC000090962549 180077001 /nfs/dbraw/zinc/07/70/01/180077001.db2.gz FIIQYXDYXLZMOV-CABCVRRESA-N 0 3 262.353 2.038 10 0 CEAEHN c1ncn(C[C@H]2Cc3ccccc32)c1CNC1CC1 ZINC000090993501 180081846 /nfs/dbraw/zinc/08/18/46/180081846.db2.gz WKZABFYFISAOCR-CYBMUJFWSA-N 0 3 253.349 2.475 10 0 CEAEHN COCCNCc1cn(CCCCO)c2ccccc12 ZINC000090995666 180082931 /nfs/dbraw/zinc/08/29/31/180082931.db2.gz KKQPSIPGVRPXCF-UHFFFAOYSA-N 0 3 276.380 2.150 10 0 CEAEHN CCCn1ccc(CN[C@H](C)C(=O)N2CCCCC2)c1 ZINC000091012520 180085840 /nfs/dbraw/zinc/08/58/40/180085840.db2.gz VZLVJCUUSRFNMB-CQSZACIVSA-N 0 3 277.412 2.389 10 0 CEAEHN CCn1cccc1CNCCOCC(F)(F)F ZINC000091127797 180099539 /nfs/dbraw/zinc/09/95/39/180099539.db2.gz XIRJSESZVMJRBN-UHFFFAOYSA-N 0 3 250.264 2.177 10 0 CEAEHN Clc1cccc2[nH]c(C[C@@H]3CSCCN3)nc21 ZINC000091128608 180099997 /nfs/dbraw/zinc/09/99/97/180099997.db2.gz ZKVVRMCRHBLCRS-MRVPVSSYSA-N 0 3 267.785 2.464 10 0 CEAEHN Fc1ccc2nc(C[C@@H]3CSCCN3)oc2c1 ZINC000091129351 180101283 /nfs/dbraw/zinc/10/12/83/180101283.db2.gz CLVSXHHAEKELAS-SECBINFHSA-N 0 3 252.314 2.214 10 0 CEAEHN c1nnc(C[C@@H]2CSCCN2)n1C1CCCCC1 ZINC000091129587 180101420 /nfs/dbraw/zinc/10/14/20/180101420.db2.gz ZHDVKSNZYJCVFY-LLVKDONJSA-N 0 3 266.414 2.031 10 0 CEAEHN CN(CC[C@@H]1CNCCO1)Cc1ccccc1Cl ZINC000091313756 180132698 /nfs/dbraw/zinc/13/26/98/180132698.db2.gz UHQJKSGJTNXXLI-CYBMUJFWSA-N 0 3 268.788 2.150 10 0 CEAEHN c1cnc2nnc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2c1 ZINC000091355285 180139117 /nfs/dbraw/zinc/13/91/17/180139117.db2.gz PBRZDDPEIIEKEP-WOPDTQHZSA-N 0 3 257.341 2.108 10 0 CEAEHN O=C(Nc1ccncc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091359085 180140295 /nfs/dbraw/zinc/14/02/95/180140295.db2.gz IVMKOIILWRFZME-UBHSHLNASA-N 0 3 259.353 2.331 10 0 CEAEHN COCCNCc1cc(F)ccc1SC[C@H](C)CO ZINC000091259865 180115840 /nfs/dbraw/zinc/11/58/40/180115840.db2.gz YLMPHRMLWXKWQQ-LLVKDONJSA-N 0 3 287.400 2.282 10 0 CEAEHN CCCN[C@H](CC(=O)OC)c1cncn1C(C)C ZINC000091274096 180118608 /nfs/dbraw/zinc/11/86/08/180118608.db2.gz CIJVBKPLLDTKOH-LLVKDONJSA-N 0 3 253.346 2.068 10 0 CEAEHN CCCN1C(=O)CCC[C@H](N)[C@H]1c1cncn1C1CC1 ZINC000091275593 180118802 /nfs/dbraw/zinc/11/88/02/180118802.db2.gz VVXAMCDNRIFIBJ-WFASDCNBSA-N 0 3 276.384 2.009 10 0 CEAEHN CC[C@@H]1CCCN([C@@H](CN)c2cncn2C2CC2)C1 ZINC000091276273 180119619 /nfs/dbraw/zinc/11/96/19/180119619.db2.gz CFBJBMUMHILKGL-OCCSQVGLSA-N 0 3 262.401 2.340 10 0 CEAEHN CC(C)(C)n1c(C[C@H]2CNCCO2)nc2ccccc21 ZINC000091293178 180124029 /nfs/dbraw/zinc/12/40/29/180124029.db2.gz QPOKNCZPCLATQI-LBPRGKRZSA-N 0 3 273.380 2.322 10 0 CEAEHN Fc1ccc2c(c1)nc(C[C@@H]1CNCCO1)n2C1CC1 ZINC000091293219 180124255 /nfs/dbraw/zinc/12/42/55/180124255.db2.gz TZWKOHTZBNHTIU-GFCCVEGCSA-N 0 3 275.327 2.041 10 0 CEAEHN O=C(C[C@H]1CNCCO1)Nc1cc(Cl)ccc1Cl ZINC000091298877 180125315 /nfs/dbraw/zinc/12/53/15/180125315.db2.gz BRNZKBHDRQHADH-VIFPVBQESA-N 0 3 289.162 2.310 10 0 CEAEHN C[C@@H](O)c1cccc(NC(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000091433278 180154365 /nfs/dbraw/zinc/15/43/65/180154365.db2.gz DXJPZWHDCSOVPY-DOMZBBRYSA-N 0 3 291.395 2.298 10 0 CEAEHN CCc1nc(N2CCC[C@H](N(C)C)C2)sc1C=O ZINC000091449303 180157506 /nfs/dbraw/zinc/15/75/06/180157506.db2.gz DCISWPNHCDDBKQ-JTQLQIEISA-N 0 3 267.398 2.048 10 0 CEAEHN CN[C@@H](C)c1c(F)cccc1N(C)CC1CC(O)C1 ZINC000091463974 180162665 /nfs/dbraw/zinc/16/26/65/180162665.db2.gz KXUKZEVAAJXIQL-UNXYVOJBSA-N 0 3 266.360 2.313 10 0 CEAEHN Cc1ncccc1NC(=O)Nc1cccc(CN)c1 ZINC000091497524 180173270 /nfs/dbraw/zinc/17/32/70/180173270.db2.gz CYFXNMLKOLLLNN-UHFFFAOYSA-N 0 3 256.309 2.493 10 0 CEAEHN Cc1ccc(C(=O)CN2CCC[C@H](N(C)C)C2)s1 ZINC000091394273 180146483 /nfs/dbraw/zinc/14/64/83/180146483.db2.gz GTEFPQOBLDPWSV-LBPRGKRZSA-N 0 3 266.410 2.265 10 0 CEAEHN CCOc1ccc([C@@H](N)C(C)(C)N2CCOCC2)cc1 ZINC000091566156 180193991 /nfs/dbraw/zinc/19/39/91/180193991.db2.gz CSXTVLYOTUNGMR-OAHLLOKOSA-N 0 3 278.396 2.196 10 0 CEAEHN CN[C@H](c1cc(C)ccc1OC)C(C)(C)N1CCOCC1 ZINC000091566741 180194983 /nfs/dbraw/zinc/19/49/83/180194983.db2.gz YHJXSDVUJFHOPQ-MRXNPFEDSA-N 0 3 292.423 2.375 10 0 CEAEHN CCCC1CCC(N[C@H]2CC(=O)N(CCC)C2=O)CC1 ZINC000105101782 186042671 /nfs/dbraw/zinc/04/26/71/186042671.db2.gz AQQZZLHUPUDJKU-RUXDESIVSA-N 0 3 280.412 2.472 10 0 CEAEHN CCc1cc(CC(=O)[C@@](C)(CC)N2CCCC2)n(C)n1 ZINC000091602060 180203233 /nfs/dbraw/zinc/20/32/33/180203233.db2.gz AYOQNZKUBHKQMY-MRXNPFEDSA-N 0 3 277.412 2.359 10 0 CEAEHN CC[C@@](C)([C@H](N)c1ccccc1F)N1CCOCC1 ZINC000091611877 180206478 /nfs/dbraw/zinc/20/64/78/180206478.db2.gz FNVFXFAWOXPUHZ-CABCVRRESA-N 0 3 266.360 2.326 10 0 CEAEHN CCN[C@@H](c1cnn(CC)c1)[C@@](C)(CC)N1CCOCC1 ZINC000091613000 180207321 /nfs/dbraw/zinc/20/73/21/180207321.db2.gz MEOWRJXSAPBRFI-JKSUJKDBSA-N 0 3 294.443 2.055 10 0 CEAEHN CCc1cc(CC(=O)C(C)(C)N(CC)CC)n(C)n1 ZINC000091529776 180180706 /nfs/dbraw/zinc/18/07/06/180180706.db2.gz SNCJPQHFQFTPLR-UHFFFAOYSA-N 0 3 265.401 2.215 10 0 CEAEHN CCc1nn(C)c(C[C@@H](O)C(C)(C)N2CCCC2)c1Cl ZINC000091533170 180181509 /nfs/dbraw/zinc/18/15/09/180181509.db2.gz PIEOGVZWNSLYNW-CYBMUJFWSA-N 0 3 299.846 2.414 10 0 CEAEHN COc1ccc([C@H](N)C2(N3CCOCC3)CCCC2)cc1 ZINC000091642828 180214029 /nfs/dbraw/zinc/21/40/29/180214029.db2.gz HRQHSOJZQAYZMW-INIZCTEOSA-N 0 3 290.407 2.340 10 0 CEAEHN C[C@@H]1CCC[C@](C(=O)Cc2ccnc(N)c2)(N(C)C)C1 ZINC000091649793 180216589 /nfs/dbraw/zinc/21/65/89/180216589.db2.gz SGUTYDHLLZCSJA-WBMJQRKESA-N 0 3 275.396 2.286 10 0 CEAEHN Cc1cnc(Cl)nc1N(CCN(C)C)CC(C)C ZINC000091658697 180218267 /nfs/dbraw/zinc/21/82/67/180218267.db2.gz IJOWVCFMRITSDY-UHFFFAOYSA-N 0 3 270.808 2.462 10 0 CEAEHN Cc1nc(NC[C@@H]2CN3CCC[C@@H]3CO2)sc1C ZINC000091672617 180224450 /nfs/dbraw/zinc/22/44/50/180224450.db2.gz ALRZXJDMFQUQJV-VXGBXAGGSA-N 0 3 267.398 2.035 10 0 CEAEHN CC[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1nc(C)cs1 ZINC000105307798 186051829 /nfs/dbraw/zinc/05/18/29/186051829.db2.gz CGNXPWDMEXMKPM-VXGBXAGGSA-N 0 3 296.440 2.248 10 0 CEAEHN Cc1cc(C)cc([C@H](O)[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091715648 180232766 /nfs/dbraw/zinc/23/27/66/180232766.db2.gz YKGFXCIMAVKAMY-OAGGEKHMSA-N 0 3 261.365 2.200 10 0 CEAEHN O[C@H](Cc1ccc(F)cc1Cl)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091715553 180232965 /nfs/dbraw/zinc/23/29/65/180232965.db2.gz POXQJASXHASHEJ-BPLDGKMQSA-N 0 3 299.773 2.246 10 0 CEAEHN CN[C@H](CN(C)C)c1cccc(OC(F)(F)F)c1 ZINC000091719639 180234081 /nfs/dbraw/zinc/23/40/81/180234081.db2.gz CKDHRBARUKAGTD-LLVKDONJSA-N 0 3 262.275 2.407 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1cc2ccccc2o1 ZINC000624235988 350239539 /nfs/dbraw/zinc/23/95/39/350239539.db2.gz ULNPZQUUFSVRNS-UHTWSYAYSA-N 0 3 261.321 2.233 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1cccc(Cl)c1 ZINC000624235621 350239676 /nfs/dbraw/zinc/23/96/76/350239676.db2.gz NHEVPWXRSYXEHK-TVYUQYBPSA-N 0 3 255.745 2.140 10 0 CEAEHN CC[C@H](N[C@H]1CCOC[C@@H]1O)c1cccc(F)c1 ZINC000624237695 350240563 /nfs/dbraw/zinc/24/05/63/350240563.db2.gz BRHVHUHFUVKQNK-IHRRRGAJSA-N 0 3 253.317 2.016 10 0 CEAEHN CCC[C@H](C(=O)NCc1cc(F)cc(OC)c1)N(C)C ZINC000091754017 180246209 /nfs/dbraw/zinc/24/62/09/180246209.db2.gz MZYSIXIYNBPXNR-CQSZACIVSA-N 0 3 282.359 2.181 10 0 CEAEHN Cc1ccc(C)n1NC(=O)C[C@@H](N)c1ccccc1 ZINC000091795713 180258260 /nfs/dbraw/zinc/25/82/60/180258260.db2.gz QRDWPEXQQCYDQL-CQSZACIVSA-N 0 3 257.337 2.265 10 0 CEAEHN CN[C@H](C)c1cccn1CC(=O)NCc1ccccc1 ZINC000091800460 180258972 /nfs/dbraw/zinc/25/89/72/180258972.db2.gz CKYOSOQPYZVVRA-CYBMUJFWSA-N 0 3 271.364 2.085 10 0 CEAEHN N[C@@H]1CCCc2sc([C@H]3CN4CCC[C@@H]4CO3)nc21 ZINC000091722535 180240164 /nfs/dbraw/zinc/24/01/64/180240164.db2.gz MLWSVCNSAONXCH-GMTAPVOTSA-N 0 3 279.409 2.015 10 0 CEAEHN CN1CCO[C@@H](CNCc2ccc(-c3ccccc3)o2)C1 ZINC000105471758 186058477 /nfs/dbraw/zinc/05/84/77/186058477.db2.gz GWOFDPCSXQCRNZ-INIZCTEOSA-N 0 3 286.375 2.367 10 0 CEAEHN CN1CCO[C@@H](CNCc2cc(Cl)cc(Cl)c2)C1 ZINC000105470792 186059702 /nfs/dbraw/zinc/05/97/02/186059702.db2.gz PRYOGBKJCVIMMQ-ZDUSSCGKSA-N 0 3 289.206 2.414 10 0 CEAEHN CCN(C(=O)c1cc(C)ccc1[O-])C1CCC([NH3+])CC1 ZINC000091850398 180272087 /nfs/dbraw/zinc/27/20/87/180272087.db2.gz DICQWQZDWKNVJZ-UHFFFAOYSA-N 0 3 276.380 2.433 10 0 CEAEHN CCNCc1ncoc1-c1cccc2c1OCCO2 ZINC000091957875 180292116 /nfs/dbraw/zinc/29/21/16/180292116.db2.gz DYOBRUMVZRUYCT-UHFFFAOYSA-N 0 3 260.293 2.222 10 0 CEAEHN CCOc1ccc(NC(=O)N2CCCC2)cc1CN ZINC000091968805 180294411 /nfs/dbraw/zinc/29/44/11/180294411.db2.gz KTKGGGPEVPONHO-UHFFFAOYSA-N 0 3 263.341 2.172 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccccc2C)C1 ZINC000092052405 180313320 /nfs/dbraw/zinc/31/33/20/180313320.db2.gz VCMFMMAULWZTKL-GJZGRUSLSA-N 0 3 262.397 2.366 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(F)c(Cl)c2)C1 ZINC000092052662 180313384 /nfs/dbraw/zinc/31/33/84/180313384.db2.gz PUIMXEOIWQTZRT-LBPRGKRZSA-N 0 3 286.778 2.289 10 0 CEAEHN CCN[C@H](C)c1cc(C)ccc1OC[C@H]1CN(C)CCO1 ZINC000092054301 180314135 /nfs/dbraw/zinc/31/41/35/180314135.db2.gz NNIHYTWGLNFARU-HUUCEWRRSA-N 0 3 292.423 2.375 10 0 CEAEHN CCNCc1nc(C)ccc1OCC(=O)NC(C)(C)CC ZINC000091994799 180300784 /nfs/dbraw/zinc/30/07/84/180300784.db2.gz WSNCINVINDKDJC-UHFFFAOYSA-N 0 3 293.411 2.183 10 0 CEAEHN CCCNCc1nc(C)ccc1O[C@H](C)C(=O)NCCC ZINC000091995030 180301151 /nfs/dbraw/zinc/30/11/51/180301151.db2.gz IZGCQEAJRNEVKI-CYBMUJFWSA-N 0 3 293.411 2.183 10 0 CEAEHN CCNCc1nc(C)ccc1OC[C@H]1CCCCO1 ZINC000091994617 180301271 /nfs/dbraw/zinc/30/12/71/180301271.db2.gz BLUGJCJOOKMYOR-CYBMUJFWSA-N 0 3 264.369 2.447 10 0 CEAEHN CNC(=O)CCCOc1ccc(C)nc1CNCC(C)C ZINC000091996311 180301913 /nfs/dbraw/zinc/30/19/13/180301913.db2.gz ZRJRYRUTORGUOL-UHFFFAOYSA-N 0 3 293.411 2.041 10 0 CEAEHN CC[C@H](C)NC(=O)COc1ccc(C)nc1CNC(C)C ZINC000091995626 180301939 /nfs/dbraw/zinc/30/19/39/180301939.db2.gz NVDZYSVDKHDALK-LBPRGKRZSA-N 0 3 293.411 2.182 10 0 CEAEHN Cc1ccc(O[C@H]2CCC[C@@H]2O)c(CNC(C)C)n1 ZINC000091995528 180302111 /nfs/dbraw/zinc/30/21/11/180302111.db2.gz QGZJWEPFCKQJQZ-ZFWWWQNUSA-N 0 3 264.369 2.180 10 0 CEAEHN CCCNCc1nc(C)ccc1O[C@H](C)C(=O)NC(C)C ZINC000091995261 180302191 /nfs/dbraw/zinc/30/21/91/180302191.db2.gz SXOUWKMANJKOQF-CYBMUJFWSA-N 0 3 293.411 2.182 10 0 CEAEHN Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C)nc(Cl)n1 ZINC000092023778 180308390 /nfs/dbraw/zinc/30/83/90/180308390.db2.gz HETZLVUIICIEDS-MNOVXSKESA-N 0 3 266.776 2.111 10 0 CEAEHN CC(C)[N-]S(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115778 180327043 /nfs/dbraw/zinc/32/70/43/180327043.db2.gz HMRWIIIDPVTITL-UHFFFAOYSA-N 0 3 288.388 2.010 10 0 CEAEHN CCNCc1ccccc1S(=O)(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092113832 180327211 /nfs/dbraw/zinc/32/72/11/180327211.db2.gz CAFQABJASCHKQE-BETUJISGSA-N 0 3 296.436 2.073 10 0 CEAEHN C[C@@H](c1ccc(F)cc1F)N1CCO[C@H](CN(C)C)C1 ZINC000105924273 186090251 /nfs/dbraw/zinc/09/02/51/186090251.db2.gz GPYUIEOHEBRRFO-WCQYABFASA-N 0 3 284.350 2.288 10 0 CEAEHN CCOCCN1CCC[C@H](n2ccnc2CC)C1 ZINC000105922667 186090354 /nfs/dbraw/zinc/09/03/54/186090354.db2.gz BNQLFZBWGQLXET-ZDUSSCGKSA-N 0 3 251.374 2.119 10 0 CEAEHN Cc1cc(CNCc2c(C)nn(C)c2C)c(C)n1C ZINC000092325071 180363177 /nfs/dbraw/zinc/36/31/77/180363177.db2.gz ODLQUDFANZRLEM-UHFFFAOYSA-N 0 3 260.385 2.282 10 0 CEAEHN COc1ccccc1[C@@H](CN)NCc1ccccc1 ZINC000106024235 186098800 /nfs/dbraw/zinc/09/88/00/186098800.db2.gz MXMIQMGOWKDSPX-OAHLLOKOSA-N 0 3 256.349 2.485 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000106101166 186101016 /nfs/dbraw/zinc/10/10/16/186101016.db2.gz QDJBDZZWLLFQBJ-QWHCGFSZSA-N 0 3 282.815 2.227 10 0 CEAEHN CCC(CC)N(CCO)Cc1cccc(NC)n1 ZINC000092369631 180369770 /nfs/dbraw/zinc/36/97/70/180369770.db2.gz JMOBXFVRXIGPBC-UHFFFAOYSA-N 0 3 251.374 2.106 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2cccc(NC)n2)CC1 ZINC000092370246 180370487 /nfs/dbraw/zinc/37/04/87/180370487.db2.gz KODNRBDDFHPYIQ-ZDUSSCGKSA-N 0 3 262.401 2.039 10 0 CEAEHN COCCN(C1CC1)[C@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387862 180374498 /nfs/dbraw/zinc/37/44/98/180374498.db2.gz HRBHCXLKFQMVKR-IRXDYDNUSA-N 0 3 291.391 2.154 10 0 CEAEHN CCCN[C@@H]1c2cc(OC)ccc2CC[C@@H]1[S@](C)=O ZINC000092388995 180375153 /nfs/dbraw/zinc/37/51/53/180375153.db2.gz HUAQMFOKKIAREQ-QMTMVMCOSA-N 0 3 281.421 2.429 10 0 CEAEHN COc1cccc(CN[C@@H](CO)C(C)C)c1OC(F)F ZINC000092392071 180376027 /nfs/dbraw/zinc/37/60/27/180376027.db2.gz SJLMOIZKZFZIKG-NSHDSACASA-N 0 3 289.322 2.403 10 0 CEAEHN CC(C)[C@H]1CSC(N[C@H](C)CN2CCCC2)=N1 ZINC000092402320 180377624 /nfs/dbraw/zinc/37/76/24/180377624.db2.gz SHPDUTRRQODYAY-VXGBXAGGSA-N 0 3 255.431 2.188 10 0 CEAEHN COc1ccc([C@@H]2CN[C@H](C(C)C)CO2)c(OC)c1 ZINC000092403142 180378045 /nfs/dbraw/zinc/37/80/45/180378045.db2.gz PNUWTSCFOMESGT-ZFWWWQNUSA-N 0 3 265.353 2.389 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@H](n1nc(C)nc1C)CC2 ZINC000092386142 180374184 /nfs/dbraw/zinc/37/41/84/180374184.db2.gz LYIBOWQSFVURET-HUUCEWRRSA-N 0 3 272.352 2.091 10 0 CEAEHN COc1cc(C)c(CN(C)C(C)(C)CO)cc1OC ZINC000092508090 180398421 /nfs/dbraw/zinc/39/84/21/180398421.db2.gz QFRXXPSRNCRBLK-UHFFFAOYSA-N 0 3 267.369 2.215 10 0 CEAEHN CN(C[C@@H]1CCCO1)c1cc(CN)nc2ccccc21 ZINC000109588905 186265016 /nfs/dbraw/zinc/26/50/16/186265016.db2.gz VMECARQXAVTLEM-ZDUSSCGKSA-N 0 3 271.364 2.309 10 0 CEAEHN CN(C)[C@@H]1CCN(c2nc(C(C)(C)C)c(CO)s2)C1 ZINC000110276175 186289496 /nfs/dbraw/zinc/28/94/96/186289496.db2.gz ZAAANTNXMIHELV-SNVBAGLBSA-N 0 3 283.441 2.073 10 0 CEAEHN Nc1cccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000110380176 186294832 /nfs/dbraw/zinc/29/48/32/186294832.db2.gz RBJKDNBEBSTSDV-HNNXBMFYSA-N 0 3 288.395 2.361 10 0 CEAEHN CCOC(=O)C[C@@H](N)c1ccc(OC)c(OC)c1Cl ZINC000110827572 186327790 /nfs/dbraw/zinc/32/77/90/186327790.db2.gz BRXSQBPTBOWYNP-SECBINFHSA-N 0 3 287.743 2.310 10 0 CEAEHN C[C@H](NCc1n[nH]nc1-c1ccccc1)[C@H]1CCCO1 ZINC000110924519 186333090 /nfs/dbraw/zinc/33/30/90/186333090.db2.gz HJPSJKYYXRQLKD-SMDDNHRTSA-N 0 3 272.352 2.129 10 0 CEAEHN C[C@H](NCc1[nH]nnc1-c1ccccc1)[C@H]1CCCO1 ZINC000110924519 186333092 /nfs/dbraw/zinc/33/30/92/186333092.db2.gz HJPSJKYYXRQLKD-SMDDNHRTSA-N 0 3 272.352 2.129 10 0 CEAEHN Cc1ccc(C)c([C@H](O)CN2CCN(C)C(C)(C)C2)c1 ZINC000110736588 186318594 /nfs/dbraw/zinc/31/85/94/186318594.db2.gz DRHZUNJUYUASHF-MRXNPFEDSA-N 0 3 276.424 2.363 10 0 CEAEHN CCOc1ccc([C@@H](O)CN2CCN(C)C(C)(C)C2)cc1 ZINC000110736629 186319151 /nfs/dbraw/zinc/31/91/51/186319151.db2.gz QDSSSHRYIXMAFD-INIZCTEOSA-N 0 3 292.423 2.145 10 0 CEAEHN CN[C@@H](C)c1ccccc1SCCS(C)(=O)=O ZINC000111005164 186341978 /nfs/dbraw/zinc/34/19/78/186341978.db2.gz WXJMMARKCAOFGV-JTQLQIEISA-N 0 3 273.423 2.104 10 0 CEAEHN CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)[C@@H](N)C(C)(C)C ZINC000111088102 186351999 /nfs/dbraw/zinc/35/19/99/186351999.db2.gz VNQVENUCTRELAY-UMSGYPCISA-N 0 3 252.402 2.254 10 0 CEAEHN COC(CNC[C@H](c1ccccc1)N1CCCC1)OC ZINC000111111800 186353561 /nfs/dbraw/zinc/35/35/61/186353561.db2.gz RWZAKIMSLXSGAA-OAHLLOKOSA-N 0 3 278.396 2.032 10 0 CEAEHN COC(CN[C@@H](C)Cc1ccccc1Cl)OC ZINC000111112038 186353588 /nfs/dbraw/zinc/35/35/88/186353588.db2.gz YKEMFEDLBFOWHO-JTQLQIEISA-N 0 3 257.761 2.480 10 0 CEAEHN CCCOCCOc1ccc(CNC(C)(C)C)nn1 ZINC000111110961 186353916 /nfs/dbraw/zinc/35/39/16/186353916.db2.gz OUMUCJVLNSCXNY-UHFFFAOYSA-N 0 3 267.373 2.170 10 0 CEAEHN CCOCCN(CC)C[C@H](NC)c1ccccc1OC ZINC000111118125 186354263 /nfs/dbraw/zinc/35/42/63/186354263.db2.gz AKVNKQYAISYJLN-HNNXBMFYSA-N 0 3 280.412 2.314 10 0 CEAEHN CCNCc1coc(CN(CC)CCOCC)c1 ZINC000111123829 186354365 /nfs/dbraw/zinc/35/43/65/186354365.db2.gz OMOPSXZBHWVUQG-UHFFFAOYSA-N 0 3 254.374 2.248 10 0 CEAEHN CCNCc1c(N(CC)CCOCC)nc2sccn12 ZINC000111120625 186354534 /nfs/dbraw/zinc/35/45/34/186354534.db2.gz GCIOYNVGKWATEO-UHFFFAOYSA-N 0 3 296.440 2.368 10 0 CEAEHN CN(C)CCN(C)CC(=O)c1ccccc1Br ZINC000111139758 186357811 /nfs/dbraw/zinc/35/78/11/186357811.db2.gz ROHQSPLDWBLEDH-UHFFFAOYSA-N 0 3 299.212 2.125 10 0 CEAEHN C[C@H](N)c1cnc(N(C)CC2CCOCC2)s1 ZINC000111177158 186365706 /nfs/dbraw/zinc/36/57/06/186365706.db2.gz LKWWPBOIMZNTCP-VIFPVBQESA-N 0 3 255.387 2.026 10 0 CEAEHN NCc1ccc(C(=O)Nc2cc(F)cc(F)c2)nc1 ZINC000111281138 186387600 /nfs/dbraw/zinc/38/76/00/186387600.db2.gz CJGJCSUNBPETJK-UHFFFAOYSA-N 0 3 263.247 2.071 10 0 CEAEHN NCc1ccc(C(=O)Nc2ccc(F)c(F)c2F)nc1 ZINC000111281234 186388124 /nfs/dbraw/zinc/38/81/24/186388124.db2.gz GHHCTYNJKDBPJN-UHFFFAOYSA-N 0 3 281.237 2.210 10 0 CEAEHN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN)cn1 ZINC000111281165 186389077 /nfs/dbraw/zinc/38/90/77/186389077.db2.gz ZFTZVLXDDYFKQO-NSHDSACASA-N 0 3 267.332 2.132 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@H](C)COC ZINC000251850444 539808905 /nfs/dbraw/zinc/80/89/05/539808905.db2.gz RSGVMGKRZWMWHP-RRFJBIMHSA-N 0 3 254.418 2.218 10 0 CEAEHN Cn1ccnc1Sc1nc2ccccn2c1CNC1CC1 ZINC000111554849 186427642 /nfs/dbraw/zinc/42/76/42/186427642.db2.gz NQLRIIWFRDBING-UHFFFAOYSA-N 0 3 299.403 2.471 10 0 CEAEHN O[C@H]1CCC[C@@H](NCc2ccc(Br)cn2)C1 ZINC000069938652 363014729 /nfs/dbraw/zinc/01/47/29/363014729.db2.gz PNARKODXGCRHSG-PWSUYJOCSA-N 0 3 285.185 2.237 10 0 CEAEHN C[C@@H](C(=O)N(C)C[C@@H]1CCCCO1)[C@H](N)c1ccccc1 ZINC000130332493 187486601 /nfs/dbraw/zinc/48/66/01/187486601.db2.gz FOIRIJMICXTNME-KBMXLJTQSA-N 0 3 290.407 2.350 10 0 CEAEHN COc1ccccc1[C@H](C)NC[C@@H](C)N1CCOCC1 ZINC000123340232 187086028 /nfs/dbraw/zinc/08/60/28/187086028.db2.gz VFTDWFUKBACKIZ-KGLIPLIRSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOC(=O)c1ccc(CN(C)C[C@H]2CCCN2CC)o1 ZINC000123445395 187092127 /nfs/dbraw/zinc/09/21/27/187092127.db2.gz JGMNSZHVONDHAS-CYBMUJFWSA-N 0 3 294.395 2.372 10 0 CEAEHN N[C@H](CO)c1cc(Br)cc(C(F)(F)F)c1 ZINC000072199642 363121467 /nfs/dbraw/zinc/12/14/67/363121467.db2.gz FCMGTYDCYSTMGU-MRVPVSSYSA-N 0 3 284.075 2.460 10 0 CEAEHN CCN1CCO[C@H](CN[C@H]2CCCc3sccc32)C1 ZINC000252645466 539884425 /nfs/dbraw/zinc/88/44/25/539884425.db2.gz QMZHBBCCUTXATH-OCCSQVGLSA-N 0 3 280.437 2.436 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccc(C)cc2OC)C1 ZINC000252743632 539897798 /nfs/dbraw/zinc/89/77/98/539897798.db2.gz QBBHCEYBXBFKMS-HUUCEWRRSA-N 0 3 292.423 2.375 10 0 CEAEHN CC[C@@H](C)OCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000152482231 188022769 /nfs/dbraw/zinc/02/27/69/188022769.db2.gz ZPUQYFPGGSHWGE-UKRRQHHQSA-N 0 3 278.396 2.221 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc(C)cc1OC)N(C)C ZINC000154034785 188118915 /nfs/dbraw/zinc/11/89/15/188118915.db2.gz AQCXTCYNBUYYAG-CQSZACIVSA-N 0 3 278.396 2.350 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000155486559 188209608 /nfs/dbraw/zinc/20/96/08/188209608.db2.gz FPNHWEJQANFJHU-RISCZKNCSA-N 0 3 264.344 2.284 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cccc(OCCF)c1 ZINC000236939992 370660816 /nfs/dbraw/zinc/66/08/16/370660816.db2.gz LAGOUGXLIMTUKM-LBPRGKRZSA-N 0 3 254.305 2.101 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@H](O)COC[C@@H]2CCCO2)c1 ZINC000157329672 540038508 /nfs/dbraw/zinc/03/85/08/540038508.db2.gz UROGMSUESHBWKC-XIRDDKMYSA-N 0 3 293.407 2.202 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cncs2)=C[C@H](N)C1 ZINC000675077560 540118397 /nfs/dbraw/zinc/11/83/97/540118397.db2.gz GCQOVOXRDGAXST-JTQLQIEISA-N 0 3 281.381 2.105 10 0 CEAEHN CC[C@@H]1COC(C)(C)CN1C[C@H]1CCC[C@H](O)C1 ZINC000403965891 540118604 /nfs/dbraw/zinc/11/86/04/540118604.db2.gz OKAUKGXEXYUGJS-MJBXVCDLSA-N 0 3 255.402 2.427 10 0 CEAEHN CCN=[S@@](=O)(c1ccc(N)cc1)N(C)C(C)C ZINC000675074577 540116203 /nfs/dbraw/zinc/11/62/03/540116203.db2.gz FZEGVNRXYNTYIH-KRWDZBQOSA-N 0 3 255.387 2.371 10 0 CEAEHN CCCN=[S@](=O)(c1ccc(N)cc1)N(C)CC ZINC000675074593 540116275 /nfs/dbraw/zinc/11/62/75/540116275.db2.gz GHLOAUOWQFNWEP-QGZVFWFLSA-N 0 3 255.387 2.372 10 0 CEAEHN C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)NCCS2 ZINC000575511555 366293134 /nfs/dbraw/zinc/29/31/34/366293134.db2.gz FWZMUZXZIWTLMY-ZWNOBZJWSA-N 0 3 272.414 2.439 10 0 CEAEHN COc1cc(CN[C@@H](C)[C@H]2CCCO2)cc2c1OCO2 ZINC000075782796 363489455 /nfs/dbraw/zinc/48/94/55/363489455.db2.gz CVFJPGCHJBENBA-CMPLNLGQSA-N 0 3 279.336 2.081 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC000134795876 366361985 /nfs/dbraw/zinc/36/19/85/366361985.db2.gz TWZUDJIIUVKDDN-AWEZNQCLSA-N 0 3 278.371 2.266 10 0 CEAEHN Cc1ncsc1CN(C)C[C@H]1CCC[C@@H](O)C1 ZINC000310095952 540335958 /nfs/dbraw/zinc/33/59/58/540335958.db2.gz AKILKTVYVLHLIM-NWDGAFQWSA-N 0 3 254.399 2.434 10 0 CEAEHN Cc1cccc(OCCN(C)C(=O)[C@]2(C)CCCCN2)c1 ZINC000136149586 366498830 /nfs/dbraw/zinc/49/88/30/366498830.db2.gz LQMVSDYVGNJKCN-KRWDZBQOSA-N 0 3 290.407 2.364 10 0 CEAEHN CC(C)(C)c1ncc(CNC[C@@H]2CCC[C@@H]2O)cn1 ZINC000311535745 540457416 /nfs/dbraw/zinc/45/74/16/540457416.db2.gz HVPNIGJCIAMCCJ-STQMWFEESA-N 0 3 263.385 2.025 10 0 CEAEHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)C(=O)Nc1ccccc1 ZINC000667859525 540524395 /nfs/dbraw/zinc/52/43/95/540524395.db2.gz RJHWBSTYWFMUSN-CQDKDKBSSA-N 0 3 274.364 2.171 10 0 CEAEHN c1ccc(CN2CCNC[C@H]2c2ccccn2)cc1 ZINC000144316504 366571603 /nfs/dbraw/zinc/57/16/03/366571603.db2.gz ZTYKJZAIGOFPJT-INIZCTEOSA-N 0 3 253.349 2.228 10 0 CEAEHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC[C@H](C)O2)o1 ZINC000151040889 366615381 /nfs/dbraw/zinc/61/53/81/366615381.db2.gz QWEVEFLSEOLEEZ-DZGCQCFKSA-N 0 3 294.395 2.046 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1 ZINC000177025005 189021708 /nfs/dbraw/zinc/02/17/08/189021708.db2.gz ACNMAGWLASXYCK-OAHLLOKOSA-N 0 3 275.396 2.312 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC000177040055 189023473 /nfs/dbraw/zinc/02/34/73/189023473.db2.gz CFBGYTUSQOZXTI-AWEZNQCLSA-N 0 3 292.427 2.194 10 0 CEAEHN C[C@@H]1CN(Cc2ccccc2Cl)C[C@@H]1N1CCOCC1 ZINC000177250066 189039359 /nfs/dbraw/zinc/03/93/59/189039359.db2.gz OQLWJOLALBLTJD-CJNGLKHVSA-N 0 3 294.826 2.493 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@@H](C)CS(C)(=O)=O ZINC000081899011 363744144 /nfs/dbraw/zinc/74/41/44/363744144.db2.gz KABJRTRDALLFHL-RYUDHWBXSA-N 0 3 255.383 2.079 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1ccccc1OC)N(C)C ZINC000179105246 189170276 /nfs/dbraw/zinc/17/02/76/189170276.db2.gz IFSMDDGDBAKNPH-CQSZACIVSA-N 0 3 278.396 2.384 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1scnc1C)N(C)C ZINC000179251588 189180513 /nfs/dbraw/zinc/18/05/13/189180513.db2.gz HCDXLFAJTOJIGX-LLVKDONJSA-N 0 3 269.414 2.140 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)C1 ZINC000179321642 189185904 /nfs/dbraw/zinc/18/59/04/189185904.db2.gz QOTDAGLEPWFKKU-AWEZNQCLSA-N 0 3 287.338 2.150 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000179410424 189192197 /nfs/dbraw/zinc/19/21/97/189192197.db2.gz YRRPKYWIZKWDGU-VXGBXAGGSA-N 0 3 294.345 2.375 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)COCc1ccccc1)N(C)C ZINC000179468282 189196063 /nfs/dbraw/zinc/19/60/63/189196063.db2.gz FFVCULVUHKVJLN-ZBFHGGJFSA-N 0 3 292.423 2.438 10 0 CEAEHN CCCOc1ccc([C@@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000676234677 540907727 /nfs/dbraw/zinc/90/77/27/540907727.db2.gz JDWDPYQJRCSVBR-BXUZGUMPSA-N 0 3 262.353 2.015 10 0 CEAEHN CC[C@@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccc(OC)cc1 ZINC000180335030 189250529 /nfs/dbraw/zinc/25/05/29/189250529.db2.gz RKVDAHUFMVMBBE-GOEBONIOSA-N 0 3 290.407 2.351 10 0 CEAEHN CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1ccccn1)CC2 ZINC000180504980 189259400 /nfs/dbraw/zinc/25/94/00/189259400.db2.gz CDGCGAQYDQBHPM-QWHCGFSZSA-N 0 3 285.395 2.462 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@](C)(CC)c1nccs1 ZINC000237005932 370676806 /nfs/dbraw/zinc/67/68/06/370676806.db2.gz OMMPQGDUHSSAMU-BXKDBHETSA-N 0 3 255.387 2.012 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1csnc1C ZINC000182104848 189314158 /nfs/dbraw/zinc/31/41/58/189314158.db2.gz MWOKRDMWMXNZFX-LLVKDONJSA-N 0 3 267.398 2.008 10 0 CEAEHN Cc1ccc(NC(=O)[C@H](C)N)c(Br)c1 ZINC000011958058 361369804 /nfs/dbraw/zinc/36/98/04/361369804.db2.gz FCLLOQWKZKYAAG-ZETCQYMHSA-N 0 3 257.131 2.043 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000083550440 363779771 /nfs/dbraw/zinc/77/97/71/363779771.db2.gz GPPOUABGBNWIOA-ZYHUDNBSSA-N 0 3 279.771 2.044 10 0 CEAEHN Cc1ccc(NC(=O)CN2CCN3CCC[C@@H]3C2)cc1C ZINC000023249651 361596338 /nfs/dbraw/zinc/59/63/38/361596338.db2.gz OAMJRXWMDBSBFU-MRXNPFEDSA-N 0 3 287.407 2.022 10 0 CEAEHN CC[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000084222108 363803509 /nfs/dbraw/zinc/80/35/09/363803509.db2.gz XTRWKWNANKEGMI-CABCVRRESA-N 0 3 266.360 2.197 10 0 CEAEHN CN[C@H](CN1CCOCC1)c1ccc(Br)cc1 ZINC000088241054 363885954 /nfs/dbraw/zinc/88/59/54/363885954.db2.gz JKTRQBQJXCVLAA-CYBMUJFWSA-N 0 3 299.212 2.042 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1cnn(Cc2ccccc2)c1 ZINC000089164196 363943637 /nfs/dbraw/zinc/94/36/37/363943637.db2.gz MEODKCARPVBHJZ-IRXDYDNUSA-N 0 3 285.391 2.182 10 0 CEAEHN CCn1c(CNC[C@@H]2CCC[C@@H]2O)nc2ccccc21 ZINC000089165045 363944570 /nfs/dbraw/zinc/94/45/70/363944570.db2.gz XISMOAJHCUIGME-WFASDCNBSA-N 0 3 273.380 2.307 10 0 CEAEHN COc1c(CN2CC[C@@H](C)[C@H](C)C2)c(C)nn1C ZINC000093480900 364189609 /nfs/dbraw/zinc/18/96/09/364189609.db2.gz LCSLJTOOMKDJNB-GHMZBOCLSA-N 0 3 251.374 2.215 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NC[C@H]2CCc3ccccc32)C1 ZINC000111879880 364766291 /nfs/dbraw/zinc/76/62/91/364766291.db2.gz BNIMIIOLGBDWGV-HUUCEWRRSA-N 0 3 287.407 2.062 10 0 CEAEHN C[C@H](N[C@@H](CN(C)C)c1ccccc1)c1ccnn1C ZINC000192246499 299348950 /nfs/dbraw/zinc/34/89/50/299348950.db2.gz HGNCJZKUANAEEI-ZFWWWQNUSA-N 0 3 272.396 2.374 10 0 CEAEHN CC(C)CCO[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113222687 364876654 /nfs/dbraw/zinc/87/66/54/364876654.db2.gz GEMARPWYVSFXTA-RRFJBIMHSA-N 0 3 282.428 2.133 10 0 CEAEHN CCCCNCc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000113311662 364887077 /nfs/dbraw/zinc/88/70/77/364887077.db2.gz BSZXDCGIJQAPPR-UHFFFAOYSA-N 0 3 294.443 2.270 10 0 CEAEHN Cn1cc([C@H]2CCN(CCOc3ccccc3)C2)cn1 ZINC000116320364 365051906 /nfs/dbraw/zinc/05/19/06/365051906.db2.gz BRUYAMPQZPMLAV-AWEZNQCLSA-N 0 3 271.364 2.288 10 0 CEAEHN CCCCCC[C@H](C)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117024011 365089517 /nfs/dbraw/zinc/08/95/17/365089517.db2.gz RLRLFSHNHFRUKI-LSDHHAIUSA-N 0 3 299.459 2.317 10 0 CEAEHN CCN(C(=O)N(C)C[C@@H]1CCCN1CC)C(C)C ZINC000119056594 365208873 /nfs/dbraw/zinc/20/88/73/365208873.db2.gz ALAKDMIHWYPBRA-ZDUSSCGKSA-N 0 3 255.406 2.253 10 0 CEAEHN CC(=O)c1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1C ZINC000119451649 365274446 /nfs/dbraw/zinc/27/44/46/365274446.db2.gz AXGHPZNDLOWGLX-CQSZACIVSA-N 0 3 289.379 2.365 10 0 CEAEHN CCc1noc([C@@H](C)N2CCN(C[C@@H](C)CC)CC2)n1 ZINC000120502135 365433669 /nfs/dbraw/zinc/43/36/69/365433669.db2.gz ZQQOEYVYFMTHSR-QWHCGFSZSA-N 0 3 280.416 2.357 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(OC)cc2)CCN1CCOC ZINC000120960061 365502498 /nfs/dbraw/zinc/50/24/98/365502498.db2.gz UDFTXTDJWVKTSU-MRXNPFEDSA-N 0 3 292.423 2.238 10 0 CEAEHN CCC[C@H](C(=O)NCCc1cc(F)cc(F)c1)N(C)C ZINC000161873359 367118069 /nfs/dbraw/zinc/11/80/69/367118069.db2.gz CJMOKVNRROEIGS-CQSZACIVSA-N 0 3 284.350 2.354 10 0 CEAEHN CCCC[C@H](COC)NC(=O)[C@@H](CCC)N(C)C ZINC000161954445 367124879 /nfs/dbraw/zinc/12/48/79/367124879.db2.gz YBHDSCJORQDMHV-CHWSQXEVSA-N 0 3 258.406 2.038 10 0 CEAEHN CCC[C@H](C(=O)NCCN1CCCC[C@@H]1CC)N(C)C ZINC000162135317 367140995 /nfs/dbraw/zinc/14/09/95/367140995.db2.gz UJRKSRLAVWTOGK-LSDHHAIUSA-N 0 3 283.460 2.097 10 0 CEAEHN Cc1noc(C)c1[C@H](C)CC(=O)N1CCN2CCC[C@H]2C1 ZINC000245539043 370834997 /nfs/dbraw/zinc/83/49/97/370834997.db2.gz JILOEZTWGXGTFQ-RISCZKNCSA-N 0 3 291.395 2.092 10 0 CEAEHN CCc1cnc(NC(=O)N2C[C@H]3CCCN3C[C@H]2C)s1 ZINC000245601220 370845899 /nfs/dbraw/zinc/84/58/99/370845899.db2.gz VRBYQVIRGBCRRA-GHMZBOCLSA-N 0 3 294.424 2.406 10 0 CEAEHN Cc1ccccc1SCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861924 367434722 /nfs/dbraw/zinc/43/47/22/367434722.db2.gz MOMTUHWLJMKUBL-CYBMUJFWSA-N 0 3 278.421 2.250 10 0 CEAEHN C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170867229 367436098 /nfs/dbraw/zinc/43/60/98/367436098.db2.gz BZQFPBIRGRBEHE-VXGBXAGGSA-N 0 3 296.798 2.270 10 0 CEAEHN C[C@@H](SCc1ccccc1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170865533 367436756 /nfs/dbraw/zinc/43/67/56/367436756.db2.gz AJCUFXMBARTXED-HIFRSBDPSA-N 0 3 292.448 2.471 10 0 CEAEHN Cc1ccccc1CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000170894084 367442235 /nfs/dbraw/zinc/44/22/35/367442235.db2.gz UVBJLJHOOYPMSI-MRXNPFEDSA-N 0 3 272.392 2.234 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)c(C)c2)CCN1C[C@H](C)O ZINC000245743740 370868142 /nfs/dbraw/zinc/86/81/42/370868142.db2.gz MKIMFKJSTJGCOV-HOCLYGCPSA-N 0 3 294.414 2.411 10 0 CEAEHN Cc1cccc2c(CC(=O)N3CCN4CCC[C@@H]4C3)c[nH]c21 ZINC000172843479 367827693 /nfs/dbraw/zinc/82/76/93/367827693.db2.gz VUQROJKXLVQLOO-OAHLLOKOSA-N 0 3 297.402 2.325 10 0 CEAEHN COc1c(CN[C@@H]2C[C@@](C)(OC)C2(C)C)c(C)nn1C ZINC000174135191 367988026 /nfs/dbraw/zinc/98/80/26/367988026.db2.gz XWEKBQATCZTAML-IUODEOHRSA-N 0 3 281.400 2.030 10 0 CEAEHN Cc1cccc([C@@H](C)N[C@H]2CCc3ncnn3C2)c1 ZINC000174084916 367979961 /nfs/dbraw/zinc/97/99/61/367979961.db2.gz ARRYLRLUAIZETI-OCCSQVGLSA-N 0 3 256.353 2.252 10 0 CEAEHN C[C@H](COCc1ccccc1)NCc1cncn1C ZINC000174619891 368048870 /nfs/dbraw/zinc/04/88/70/368048870.db2.gz MVUCFHYNYSJOJG-CYBMUJFWSA-N 0 3 259.353 2.115 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2ccccn2c1 ZINC000174849910 368072677 /nfs/dbraw/zinc/07/26/77/368072677.db2.gz NRSBOSAYGVLYSD-XJKSGUPXSA-N 0 3 283.375 2.248 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CC1(O)CCCCC1 ZINC000177044039 368258139 /nfs/dbraw/zinc/25/81/39/368258139.db2.gz NWXAVXBXGXCXBS-AWEZNQCLSA-N 0 3 282.428 2.014 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@H](C)N(C)C[C@@H]1CCCN1CC ZINC000177713210 368279522 /nfs/dbraw/zinc/27/95/22/368279522.db2.gz RDFXNFACPHIVDR-KKUMJFAQSA-N 0 3 283.460 2.096 10 0 CEAEHN CC(C)(C)OC[C@H](O)CN[C@H](CCCO)c1ccccc1 ZINC000179758798 368350408 /nfs/dbraw/zinc/35/04/08/368350408.db2.gz GOUCGRVZLHTVIQ-HZPDHXFCSA-N 0 3 295.423 2.266 10 0 CEAEHN COC[C@@H](NC[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000181698795 368484893 /nfs/dbraw/zinc/48/48/93/368484893.db2.gz BLNWCOZMMUHIDO-HUUCEWRRSA-N 0 3 281.396 2.140 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cncc(C)c1)CC2 ZINC000184401363 368691900 /nfs/dbraw/zinc/69/19/00/368691900.db2.gz JBXUHXLCQLAUBK-JSGCOSHPSA-N 0 3 285.395 2.210 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCCC[C@@H](SC)C2)C1 ZINC000246181389 370922861 /nfs/dbraw/zinc/92/28/61/370922861.db2.gz JHDJORZKTGSKLZ-UONOGXRCSA-N 0 3 299.484 2.398 10 0 CEAEHN Cc1noc(C2CC2)c1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000185819227 368867671 /nfs/dbraw/zinc/86/76/71/368867671.db2.gz MAZXOGGLOJMUJZ-LBPRGKRZSA-N 0 3 290.367 2.172 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cnn(C)c2)C12CCOCC2 ZINC000186356273 368962678 /nfs/dbraw/zinc/96/26/78/368962678.db2.gz HAHVAGZKCQCXPC-NWANDNLSSA-N 0 3 293.411 2.045 10 0 CEAEHN CCN(C)C(=O)[C@H](C)NC[C@H](C)c1ccc(OC)cc1 ZINC000188896549 369425758 /nfs/dbraw/zinc/42/57/58/369425758.db2.gz OZMAAQHUOXPHIR-STQMWFEESA-N 0 3 278.396 2.255 10 0 CEAEHN COc1ccc2[nH]c(C(=O)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000189269945 369486667 /nfs/dbraw/zinc/48/66/67/369486667.db2.gz RXHUORZDXGIPLG-ZDUSSCGKSA-N 0 3 299.374 2.097 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)ccc1[O-] ZINC000246462595 370965197 /nfs/dbraw/zinc/96/51/97/370965197.db2.gz AHWJRIDWFXOOCW-KBPBESRZSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C)ccc1[O-] ZINC000246462595 370965203 /nfs/dbraw/zinc/96/52/03/370965203.db2.gz AHWJRIDWFXOOCW-KBPBESRZSA-N 0 3 288.391 2.399 10 0 CEAEHN Clc1cccc(N2CCN3CCCC[C@H]3C2)n1 ZINC000246467915 370965853 /nfs/dbraw/zinc/96/58/53/370965853.db2.gz KDGBIKGQWAKQQI-NSHDSACASA-N 0 3 251.761 2.410 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H]1CC[C@@H](C)O1 ZINC000249077937 284163842 /nfs/dbraw/zinc/16/38/42/284163842.db2.gz MCDZTIZLYWNOKM-SEBNEYGDSA-N 0 3 281.396 2.360 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1 ZINC000189966302 369583169 /nfs/dbraw/zinc/58/31/69/369583169.db2.gz GVEOMLYXROEUSH-HOCLYGCPSA-N 0 3 290.407 2.050 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCCc2cccnc21 ZINC000192572200 369829325 /nfs/dbraw/zinc/82/93/25/369829325.db2.gz SPTRJLGTLMEBBW-FVQBIDKESA-N 0 3 299.418 2.197 10 0 CEAEHN O=C(N[C@H]1CCCc2occc21)N1CCN2CCC[C@@H]2C1 ZINC000171901516 284189204 /nfs/dbraw/zinc/18/92/04/284189204.db2.gz YFRWGUAXVKOUDK-OCCSQVGLSA-N 0 3 289.379 2.147 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCc2ccccc2C)C1 ZINC000194311605 370023902 /nfs/dbraw/zinc/02/39/02/370023902.db2.gz BVNRYLCJQJSTES-MRXNPFEDSA-N 0 3 289.423 2.321 10 0 CEAEHN CCCCOC[C@H](O)CN[C@H](C)c1cccc(O)c1 ZINC000195213249 370115668 /nfs/dbraw/zinc/11/56/68/370115668.db2.gz OCBSHOCDQXTJIU-IUODEOHRSA-N 0 3 267.369 2.220 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000637919767 370171167 /nfs/dbraw/zinc/17/11/67/370171167.db2.gz UEIYCZWEFJGADR-DTWKUNHWSA-N 0 3 256.296 2.140 10 0 CEAEHN CC(C)CC[C@H](N)C(=O)N[C@H]1CCOc2ccccc21 ZINC000637883333 370145393 /nfs/dbraw/zinc/14/53/93/370145393.db2.gz ONXPKBUAQXFKIZ-KBPBESRZSA-N 0 3 276.380 2.390 10 0 CEAEHN C[C@@H]1Cc2cc(Cl)cc(N3CCNCC3)c2O1 ZINC000211795779 370163464 /nfs/dbraw/zinc/16/34/64/370163464.db2.gz DKMOWZGMQOQESA-SECBINFHSA-N 0 3 252.745 2.073 10 0 CEAEHN NC[C@@H](O)c1c(Cl)cccc1Br ZINC000218031644 370204140 /nfs/dbraw/zinc/20/41/40/370204140.db2.gz ASGYLANWWHOIHM-SSDOTTSWSA-N 0 3 250.523 2.095 10 0 CEAEHN COc1c(CNCCSCC(F)(F)F)c(C)nn1C ZINC000354289381 370298621 /nfs/dbraw/zinc/29/86/21/370298621.db2.gz JNCXMMLZSCNKGH-UHFFFAOYSA-N 0 3 297.346 2.122 10 0 CEAEHN Cc1ccc(C(=O)CCN2C[C@@H](C)[C@@H](N(C)C)C2)cc1 ZINC000226104866 370329327 /nfs/dbraw/zinc/32/93/27/370329327.db2.gz UNUOPIPOHVQPNN-ZBFHGGJFSA-N 0 3 274.408 2.450 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@H](C)COCc1ccccc1 ZINC000236872760 370644322 /nfs/dbraw/zinc/64/43/22/370644322.db2.gz CBVAJYZQEKWMHC-ZFWWWQNUSA-N 0 3 278.396 2.083 10 0 CEAEHN COc1cc(CNCC2C[C@@H](C)O[C@H](C)C2)sn1 ZINC000639134470 371012544 /nfs/dbraw/zinc/01/25/44/371012544.db2.gz CINVTZZPOMTXIA-NXEZZACHSA-N 0 3 270.398 2.445 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1cnc(Cl)s1 ZINC000247233102 371080624 /nfs/dbraw/zinc/08/06/24/371080624.db2.gz SHTSFNXDHZCVLX-ZJUUUORDSA-N 0 3 271.817 2.465 10 0 CEAEHN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ncnn1C ZINC000247267806 371085218 /nfs/dbraw/zinc/08/52/18/371085218.db2.gz ZTIBYTZXVYZIGD-AGIUHOORSA-N 0 3 250.390 2.366 10 0 CEAEHN C[C@H](c1ccc(F)cc1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247772601 371141204 /nfs/dbraw/zinc/14/12/04/371141204.db2.gz PQGRZUMKLXFRGY-HZSPNIEDSA-N 0 3 280.387 2.274 10 0 CEAEHN CC[C@H]1CN(Cc2cc(F)ccc2F)CCN1C[C@H](C)O ZINC000247778643 371141458 /nfs/dbraw/zinc/14/14/58/371141458.db2.gz RJAVSRMCMHKADB-WFASDCNBSA-N 0 3 298.377 2.242 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000247446243 371109070 /nfs/dbraw/zinc/10/90/70/371109070.db2.gz PVEZGSMALRBTQV-MCIONIFRSA-N 0 3 250.386 2.119 10 0 CEAEHN Cn1cc([C@@H]2CCCN2C[C@](C)(O)c2ccccc2)cn1 ZINC000247575198 371127563 /nfs/dbraw/zinc/12/75/63/371127563.db2.gz SEDGXKLXADLYML-IRXDYDNUSA-N 0 3 285.391 2.465 10 0 CEAEHN O[C@H](CN1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000248202975 371169877 /nfs/dbraw/zinc/16/98/77/371169877.db2.gz ZHAJLSZUUJEVGX-UAGQMJEPSA-N 0 3 293.382 2.486 10 0 CEAEHN Cc1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc(Cl)n1 ZINC000248384295 371184148 /nfs/dbraw/zinc/18/41/48/371184148.db2.gz DJWANJLGOPHLQH-YPMHNXCESA-N 0 3 293.798 2.352 10 0 CEAEHN O[C@H](CN1CCN2CCCC[C@H]2C1)c1c(F)cccc1F ZINC000248369914 371181298 /nfs/dbraw/zinc/18/12/98/371181298.db2.gz WVAOLDARVJLQFJ-SWLSCSKDSA-N 0 3 296.361 2.168 10 0 CEAEHN C[C@H](CC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249818090 371364858 /nfs/dbraw/zinc/36/48/58/371364858.db2.gz DPFPWYSGAQTMLY-ZBFHGGJFSA-N 0 3 272.392 2.487 10 0 CEAEHN CC[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000249842890 371366712 /nfs/dbraw/zinc/36/67/12/371366712.db2.gz YRPUOMCYNKQNHC-HOTGVXAUSA-N 0 3 272.392 2.487 10 0 CEAEHN CCn1cncc1CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250330372 371382442 /nfs/dbraw/zinc/38/24/42/371382442.db2.gz DOFHJCFAGZSFRS-DZGCQCFKSA-N 0 3 263.385 2.030 10 0 CEAEHN C[C@H](C(=O)NCCC[C@H]1CCC[C@H]1O)N1[C@H](C)CC[C@@H]1C ZINC000252512503 371452009 /nfs/dbraw/zinc/45/20/09/371452009.db2.gz RLLXSWKHUIZCPA-YIDVYQOGSA-N 0 3 296.455 2.305 10 0 CEAEHN CC(C)CCC1CCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261701211 371705510 /nfs/dbraw/zinc/70/55/10/371705510.db2.gz BMHPITSWQIYKBX-MRXNPFEDSA-N 0 3 296.455 2.415 10 0 CEAEHN Fc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c(F)c1 ZINC000261882713 371760431 /nfs/dbraw/zinc/76/04/31/371760431.db2.gz FNRFMISZRVNKRK-IMJJTQAJSA-N 0 3 296.361 2.212 10 0 CEAEHN NC1(C(=O)Nc2ccnc3ccncc32)CCCCC1 ZINC000262666660 371894819 /nfs/dbraw/zinc/89/48/19/371894819.db2.gz KHEPIPNFZXJYSQ-UHFFFAOYSA-N 0 3 270.336 2.230 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000262712830 371898387 /nfs/dbraw/zinc/89/83/87/371898387.db2.gz SDVJRZIAHCOLII-GXFFZTMASA-N 0 3 252.358 2.153 10 0 CEAEHN CCNc1nc(C(=O)N(C)C[C@H]2CCCN2CC)cs1 ZINC000269244314 372396992 /nfs/dbraw/zinc/39/69/92/372396992.db2.gz IIFYALIGOOWZAF-LLVKDONJSA-N 0 3 296.440 2.131 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(C)cc2Cl)CCCN1 ZINC000643615327 373222511 /nfs/dbraw/zinc/22/25/11/373222511.db2.gz HCPZLMWTHAQQFS-CQSZACIVSA-N 0 3 282.771 2.356 10 0 CEAEHN CCCCN(C(=O)[C@@H]1CNCCOC1)c1ccccc1 ZINC000643618034 373222805 /nfs/dbraw/zinc/22/28/05/373222805.db2.gz ZJHLADARNHWDHR-CQSZACIVSA-N 0 3 276.380 2.056 10 0 CEAEHN CC[C@H](NC(=O)[C@@H]1CNCCC1(F)F)c1ccccc1 ZINC000644016980 373339944 /nfs/dbraw/zinc/33/99/44/373339944.db2.gz XYVANJDDPYHGAB-STQMWFEESA-N 0 3 282.334 2.499 10 0 CEAEHN OCCCCCN1CCC(c2nccs2)CC1 ZINC000371519350 373910373 /nfs/dbraw/zinc/91/03/73/373910373.db2.gz XXEQDCFFTBBQSL-UHFFFAOYSA-N 0 3 254.399 2.485 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(C)cc2OC)C1 ZINC000165258055 541979967 /nfs/dbraw/zinc/97/99/67/541979967.db2.gz QBBHCEYBXBFKMS-GJZGRUSLSA-N 0 3 292.423 2.375 10 0 CEAEHN c1cnn(C2CN(c3ccnc4ccccc43)C2)c1 ZINC000377181825 374809468 /nfs/dbraw/zinc/80/94/68/374809468.db2.gz BJCFYKDKSPXGJD-UHFFFAOYSA-N 0 3 250.305 2.493 10 0 CEAEHN CC(C)(O)CN1CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000394540687 375328913 /nfs/dbraw/zinc/32/89/13/375328913.db2.gz XZPPDGFRDFTUIB-ZDUSSCGKSA-N 0 3 290.398 2.200 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccccc1OC(F)F ZINC000282320354 375456594 /nfs/dbraw/zinc/45/65/94/375456594.db2.gz KZPQFELYWJRNCI-MWLCHTKSSA-N 0 3 284.306 2.045 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CCSc2ccccc21 ZINC000282507659 375502107 /nfs/dbraw/zinc/50/21/07/375502107.db2.gz YPNXEUGDBJVSJM-DRZSPHRISA-N 0 3 276.405 2.480 10 0 CEAEHN Cc1n[nH]cc1CNC[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000282595256 375526860 /nfs/dbraw/zinc/52/68/60/375526860.db2.gz CNZKQWPNEUHOPT-JTQLQIEISA-N 0 3 282.388 2.063 10 0 CEAEHN CCn1cc(CNC[C@H](C)N(C)C(=O)OC(C)(C)C)cn1 ZINC000282929122 375616720 /nfs/dbraw/zinc/61/67/20/375616720.db2.gz WLESUXJNNUPXFG-LBPRGKRZSA-N 0 3 296.415 2.248 10 0 CEAEHN Cc1n[nH]c(C)c1CNC[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000282935239 375617283 /nfs/dbraw/zinc/61/72/83/375617283.db2.gz WVYCCRLLLCWPTR-JTQLQIEISA-N 0 3 296.415 2.372 10 0 CEAEHN CC(C)(C)c1ncc(CNC[C@@H](O)C(C)(C)C)cn1 ZINC000284178565 375822743 /nfs/dbraw/zinc/82/27/43/375822743.db2.gz AIMLWOXMIFNDPK-GFCCVEGCSA-N 0 3 265.401 2.271 10 0 CEAEHN CC(C)(N)c1cn(CCc2ccc(Cl)cc2)nn1 ZINC000308447559 376579813 /nfs/dbraw/zinc/57/98/13/376579813.db2.gz ACKCRZIEKKLQNV-UHFFFAOYSA-N 0 3 264.760 2.368 10 0 CEAEHN COC1(CCN2CCN3CCCC[C@H]3C2)CCC1 ZINC000310870136 376639389 /nfs/dbraw/zinc/63/93/89/376639389.db2.gz POFQGOPDQOMOKH-AWEZNQCLSA-N 0 3 252.402 2.116 10 0 CEAEHN C[C@H](C(=O)Nc1ccccn1)[C@@H](N)c1ccccc1 ZINC000131611482 249316267 /nfs/dbraw/zinc/31/62/67/249316267.db2.gz HMBRYFWVNJHYJM-SMDDNHRTSA-N 0 3 255.321 2.356 10 0 CEAEHN C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([O-])ccc3F)C2)C1 ZINC000295685290 378264405 /nfs/dbraw/zinc/26/44/05/378264405.db2.gz VYOCSQWCBSOROY-MRXNPFEDSA-N 0 3 292.354 2.089 10 0 CEAEHN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([O-])ccc3F)C2)C1 ZINC000295685290 378264410 /nfs/dbraw/zinc/26/44/10/378264410.db2.gz VYOCSQWCBSOROY-MRXNPFEDSA-N 0 3 292.354 2.089 10 0 CEAEHN Cc1ncc(CN2CCC[C@@H]2Cn2ccnc2)s1 ZINC000177101906 542243783 /nfs/dbraw/zinc/24/37/83/542243783.db2.gz GKPYPDGDAADYQN-GFCCVEGCSA-N 0 3 262.382 2.313 10 0 CEAEHN CCCN1CCCN(c2ncncc2Cl)CC1 ZINC000302652793 379415187 /nfs/dbraw/zinc/41/51/87/379415187.db2.gz NKGJKCFKDUTRPZ-UHFFFAOYSA-N 0 3 254.765 2.052 10 0 CEAEHN c1cc(C2CCN(c3cc(N4CCCC4)ncn3)CC2)[nH]n1 ZINC000302883568 379470128 /nfs/dbraw/zinc/47/01/28/379470128.db2.gz JPDOTWQUIOKRGD-UHFFFAOYSA-N 0 3 298.394 2.184 10 0 CEAEHN CN[C@H](C)c1c(F)cccc1N(CCO)C1CC1 ZINC000042479885 184553906 /nfs/dbraw/zinc/55/39/06/184553906.db2.gz QYMSREGGHPRPNH-SNVBAGLBSA-N 0 3 252.333 2.067 10 0 CEAEHN CCCC[C@H](N)C(=O)N1CCc2ccccc2CC1 ZINC000079572018 184593065 /nfs/dbraw/zinc/59/30/65/184593065.db2.gz OSBPMJPOTQODNA-HNNXBMFYSA-N 0 3 260.381 2.131 10 0 CEAEHN CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(CNC)s1 ZINC000088950879 184614850 /nfs/dbraw/zinc/61/48/50/184614850.db2.gz HVDBBBYTAVBLTG-SNVBAGLBSA-N 0 3 290.454 2.277 10 0 CEAEHN CN[C@H](CSC1COC1)c1ccc(OC)cc1 ZINC000092712734 184622748 /nfs/dbraw/zinc/62/27/48/184622748.db2.gz HHANICXQUVVLHA-CYBMUJFWSA-N 0 3 253.367 2.088 10 0 CEAEHN CCOC(OCC)[C@H](Cc1ccccc1OC)NC ZINC000093307032 184662367 /nfs/dbraw/zinc/66/23/67/184662367.db2.gz LHUTZNQVAAWBEO-ZDUSSCGKSA-N 0 3 267.369 2.225 10 0 CEAEHN CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000335399238 208370297 /nfs/dbraw/zinc/37/02/97/208370297.db2.gz IGVMXTKIVCNVTI-CABCVRRESA-N 0 3 296.455 2.259 10 0 CEAEHN O=C([O-])CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCCN1 ZINC000093494819 184684393 /nfs/dbraw/zinc/68/43/93/184684393.db2.gz JLRGJYQDFYPNER-MJBXVCDLSA-N 0 3 268.401 2.142 10 0 CEAEHN CC[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCCO1 ZINC000281277694 195176808 /nfs/dbraw/zinc/17/68/08/195176808.db2.gz GEZPPSYRFTXGST-IAGOWNOFSA-N 0 3 293.407 2.065 10 0 CEAEHN CC[C@]1(C)CO[C@H](c2nc3ccccc3n2C)CN1 ZINC000080884780 177723159 /nfs/dbraw/zinc/72/31/59/177723159.db2.gz RZARSJJBAZUKGM-DZGCQCFKSA-N 0 3 259.353 2.403 10 0 CEAEHN C[C@H](N)c1csc(N(C)CC2CCOCC2)n1 ZINC000080831957 177713269 /nfs/dbraw/zinc/71/32/69/177713269.db2.gz IHQFRPFVEZARNG-VIFPVBQESA-N 0 3 255.387 2.026 10 0 CEAEHN CCCN[C@H](c1c(C)ccnc1N)[C@H](C)OCC ZINC000080744225 177697148 /nfs/dbraw/zinc/69/71/48/177697148.db2.gz LKBAAZRVVYKXGK-AAEUAGOBSA-N 0 3 251.374 2.438 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@H](C)N(CC(N)=S)C1CCCC1 ZINC000080222054 177627940 /nfs/dbraw/zinc/62/79/40/177627940.db2.gz ROBYNSHXEYFEQD-RYUDHWBXSA-N 0 3 299.484 2.210 10 0 CEAEHN CCN[C@]1(C(N)=O)CC[C@@H](Oc2cc(C)ccc2C)C1 ZINC000093845755 184730906 /nfs/dbraw/zinc/73/09/06/184730906.db2.gz QFAXVUBSJMQCAO-CZUORRHYSA-N 0 3 276.380 2.068 10 0 CEAEHN NCc1ccc(OC[C@H]2OCCc3ccccc32)cn1 ZINC000094208210 184763376 /nfs/dbraw/zinc/76/33/76/184763376.db2.gz JUUNTTBWTUNQKA-MRXNPFEDSA-N 0 3 270.332 2.233 10 0 CEAEHN CCCOC(=O)c1ccc(NC(=O)[C@@](C)(N)CC)cc1 ZINC000094236854 184767672 /nfs/dbraw/zinc/76/76/72/184767672.db2.gz HYROAQPVPUFKMW-HNNXBMFYSA-N 0 3 278.352 2.319 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000094233757 184767834 /nfs/dbraw/zinc/76/78/34/184767834.db2.gz ZWMMZRLSQRZGCT-CQSZACIVSA-N 0 3 258.325 2.143 10 0 CEAEHN CNCc1c(C)nn([C@H]2CCOC3(CCC3)C2)c1C ZINC000094412443 184794522 /nfs/dbraw/zinc/79/45/22/184794522.db2.gz HAMYOBWROXEBGG-ZDUSSCGKSA-N 0 3 263.385 2.494 10 0 CEAEHN CN[C@H]1CCC[C@H]1S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000094719940 184847071 /nfs/dbraw/zinc/84/70/71/184847071.db2.gz YFAYZHBZRCMWLF-LSDHHAIUSA-N 0 3 281.421 2.359 10 0 CEAEHN CC[C@@H](CN)S(=O)(=O)NCC1(CC(C)C)CCCC1 ZINC000094875350 184885406 /nfs/dbraw/zinc/88/54/06/184885406.db2.gz HYXFPSBOINRZFD-ZDUSSCGKSA-N 0 3 290.473 2.250 10 0 CEAEHN C[C@H](c1ccc(F)cc1F)N1CCO[C@@H](CN(C)C)C1 ZINC000247072866 131100252 /nfs/dbraw/zinc/10/02/52/131100252.db2.gz GPYUIEOHEBRRFO-YPMHNXCESA-N 0 3 284.350 2.288 10 0 CEAEHN CCC[C@](C)(N)C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000262145235 131194199 /nfs/dbraw/zinc/19/41/99/131194199.db2.gz QDDHCKLKKFOQJL-INIZCTEOSA-N 0 3 293.411 2.393 10 0 CEAEHN O=C(c1ccc(F)cc1)c1ccc(N2CCNCC2)cc1 ZINC000004245562 134647755 /nfs/dbraw/zinc/64/77/55/134647755.db2.gz XMVLLOZSGQGVCX-UHFFFAOYSA-N 0 3 284.334 2.466 10 0 CEAEHN C[C@H]1CN(c2ccc(Br)cc2F)CCN1 ZINC000083061067 135013415 /nfs/dbraw/zinc/01/34/15/135013415.db2.gz AUGGXBATIGSMHI-QMMMGPOBSA-N 0 3 273.149 2.386 10 0 CEAEHN CCOc1ccc(OCC)c(N2CCNC[C@@H]2C)c1 ZINC000086176928 135039689 /nfs/dbraw/zinc/03/96/89/135039689.db2.gz MEVCNKAUSAXXNA-LBPRGKRZSA-N 0 3 264.369 2.282 10 0 CEAEHN FC(F)(F)OCCOc1ccccc1N1CCNCC1 ZINC000089056379 135057758 /nfs/dbraw/zinc/05/77/58/135057758.db2.gz WKUUWKXTXKEMIL-UHFFFAOYSA-N 0 3 290.285 2.011 10 0 CEAEHN O=C(Nc1ccc(N2CCNCC2)cc1)N1CCCCC1 ZINC000091969142 135074415 /nfs/dbraw/zinc/07/44/15/135074415.db2.gz VXWDAYRZRCWAAK-UHFFFAOYSA-N 0 3 288.395 2.114 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093123571 135079645 /nfs/dbraw/zinc/07/96/45/135079645.db2.gz ZDGXNXICDKTPLY-DOMZBBRYSA-N 0 3 288.395 2.006 10 0 CEAEHN CC[C@H](C)N1CCN(c2cccc(F)c2C(N)=S)CC1 ZINC000093407657 135080880 /nfs/dbraw/zinc/08/08/80/135080880.db2.gz BMJXWEGBKVEAHL-NSHDSACASA-N 0 3 295.427 2.380 10 0 CEAEHN CC[C@](C)(N)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000094231306 135084349 /nfs/dbraw/zinc/08/43/49/135084349.db2.gz CITLSDTWWLQIJX-HNNXBMFYSA-N 0 3 295.814 2.116 10 0 CEAEHN Nc1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1N ZINC000094260602 135084522 /nfs/dbraw/zinc/08/45/22/135084522.db2.gz WGUVOJJWCSEFGL-ZETCQYMHSA-N 0 3 260.263 2.025 10 0 CEAEHN CC[C@](C)(N)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000094231688 135084531 /nfs/dbraw/zinc/08/45/31/135084531.db2.gz VTWBPVZGIJKMOA-KRWDZBQOSA-N 0 3 289.423 2.079 10 0 CEAEHN CC1(C)CC(NC(=O)C2(N)CCOCC2)CC(C)(C)C1 ZINC000226706970 394471727 /nfs/dbraw/zinc/47/17/27/394471727.db2.gz PZCKDTQOMKXQTI-UHFFFAOYSA-N 0 3 282.428 2.215 10 0 CEAEHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000246210331 394511827 /nfs/dbraw/zinc/51/18/27/394511827.db2.gz NRBMQDWUEXTTBD-RQJABVFESA-N 0 3 267.417 2.205 10 0 CEAEHN C[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)NCCS2 ZINC000306782391 394518102 /nfs/dbraw/zinc/51/81/02/394518102.db2.gz QOLFSTSVIVJBIZ-ZWNOBZJWSA-N 0 3 272.414 2.439 10 0 CEAEHN Cc1nc(CNC(C)(C)CN2CCCC2)cs1 ZINC000308627060 394529041 /nfs/dbraw/zinc/52/90/41/394529041.db2.gz CIUHPDHJICHLJU-UHFFFAOYSA-N 0 3 253.415 2.416 10 0 CEAEHN OC[C@@H]1C[C@H]1N[C@H]1CCc2c1cccc2Br ZINC000309649264 394531983 /nfs/dbraw/zinc/53/19/83/394531983.db2.gz RZVKXMZDTTWYNO-AQUOVQTQSA-N 0 3 282.181 2.407 10 0 CEAEHN c1nc2n(n1)C[C@H](N[C@H]1CCCOc3ccccc31)CC2 ZINC000180581526 285584305 /nfs/dbraw/zinc/58/43/05/285584305.db2.gz DBTNAFRVHFBHII-OCCSQVGLSA-N 0 3 284.363 2.096 10 0 CEAEHN O=C1O[C@H](CN2CC[C@@]3(O)CCCC[C@@H]3C2)CC12CCC2 ZINC000248898035 394549210 /nfs/dbraw/zinc/54/92/10/394549210.db2.gz URHJEEZENDTCRT-KEYYUXOJSA-N 0 3 293.407 2.099 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)CCC2CC2)C1 ZINC000122432368 394813892 /nfs/dbraw/zinc/81/38/92/394813892.db2.gz UGZCBDBDCGBGNF-OCCSQVGLSA-N 0 3 267.417 2.157 10 0 CEAEHN CC[C@](C)(O)CN1CCN(CC2CCCCC2)CC1 ZINC000123459157 394827743 /nfs/dbraw/zinc/82/77/43/394827743.db2.gz CTCSXOOQAIAYMT-INIZCTEOSA-N 0 3 268.445 2.345 10 0 CEAEHN Cc1cc([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)c(C)o1 ZINC000282485837 394920120 /nfs/dbraw/zinc/92/01/20/394920120.db2.gz XEPZQZRVTOTSFB-CWSCBRNRSA-N 0 3 250.342 2.214 10 0 CEAEHN Fc1ccc(CCN2CCC[C@H](n3cncn3)C2)cc1F ZINC000152061545 394984945 /nfs/dbraw/zinc/98/49/45/394984945.db2.gz KZLBUIRMOAVZNF-ZDUSSCGKSA-N 0 3 292.333 2.436 10 0 CEAEHN Cc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cnn1C(C)C ZINC000180386609 395202373 /nfs/dbraw/zinc/20/23/73/395202373.db2.gz WQENZVVVUQUOOW-SWLSCSKDSA-N 0 3 292.427 2.231 10 0 CEAEHN COCCN(C)CCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183602070 395259324 /nfs/dbraw/zinc/25/93/24/395259324.db2.gz JVEZMRJUGRRVMG-ZIAGYGMSSA-N 0 3 284.444 2.143 10 0 CEAEHN OCC[C@@H]1CCN(CCc2c(F)cccc2F)C1 ZINC000402096704 395267772 /nfs/dbraw/zinc/26/77/72/395267772.db2.gz MGKKSNDTGJLMHA-NSHDSACASA-N 0 3 255.308 2.212 10 0 CEAEHN CCc1noc(C)c1CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000412042382 395346586 /nfs/dbraw/zinc/34/65/86/395346586.db2.gz KGAWQJJIQGEHJD-RWMBFGLXSA-N 0 3 264.369 2.138 10 0 CEAEHN CCCOc1ccc([C@@H](C)NCCC(N)=O)cc1 ZINC000036746949 400113297 /nfs/dbraw/zinc/11/32/97/400113297.db2.gz TXWDICOCIJVCRD-LLVKDONJSA-N 0 3 250.342 2.001 10 0 CEAEHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccnn2C)C12CCOCC2 ZINC000193297867 286288466 /nfs/dbraw/zinc/28/84/66/286288466.db2.gz JVYUTHWQFXXKDE-NWANDNLSSA-N 0 3 293.411 2.045 10 0 CEAEHN CC[C@]1(C)CN(C(=O)N[C@H](CC(C)C)CN(C)C)CCO1 ZINC000188178742 288447238 /nfs/dbraw/zinc/44/72/38/288447238.db2.gz LTKNZYUCNHXXAY-GDBMZVCRSA-N 0 3 299.459 2.173 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)N(CCN(C)C)C1CCCC1 ZINC000191678837 153183718 /nfs/dbraw/zinc/18/37/18/153183718.db2.gz PCNLCOKMLHYION-DZGCQCFKSA-N 0 3 282.428 2.134 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000193379883 153232031 /nfs/dbraw/zinc/23/20/31/153232031.db2.gz YCMHUTJTNKRXQK-HOTGVXAUSA-N 0 3 295.427 2.006 10 0 CEAEHN O=C(COc1ccccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000195315256 153282386 /nfs/dbraw/zinc/28/23/86/153282386.db2.gz JAFRWOKOHDDUGY-LBPRGKRZSA-N 0 3 294.782 2.025 10 0 CEAEHN O[C@H](CN1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000195505443 153291652 /nfs/dbraw/zinc/29/16/52/153291652.db2.gz OWADXCRJLITEEC-MRXNPFEDSA-N 0 3 271.364 2.323 10 0 CEAEHN C[C@H](Cc1ccc(Cl)cc1)N[C@@H]1CCCNC1=O ZINC000223059726 153318142 /nfs/dbraw/zinc/31/81/42/153318142.db2.gz FNXWKDYPBRPUNL-ZWNOBZJWSA-N 0 3 266.772 2.139 10 0 CEAEHN Cn1cc([C@H]2CCN(C[C@@H](O)c3ccccc3F)C2)cn1 ZINC000247547280 153612672 /nfs/dbraw/zinc/61/26/72/153612672.db2.gz RVDQNKUJIKRDSJ-BLLLJJGKSA-N 0 3 289.354 2.082 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(-c2coc3ccccc23)n1 ZINC000263146654 154024856 /nfs/dbraw/zinc/02/48/56/154024856.db2.gz CUADNAOZSCHLFY-GFCCVEGCSA-N 0 3 284.319 2.059 10 0 CEAEHN CC[C@H](C)[C@@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263532970 154118107 /nfs/dbraw/zinc/11/81/07/154118107.db2.gz XOACYMUASSSICL-CZWNDGCPSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@H](C)[C@@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532970 154118110 /nfs/dbraw/zinc/11/81/10/154118110.db2.gz XOACYMUASSSICL-CZWNDGCPSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@H](C)[C@@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532970 154118115 /nfs/dbraw/zinc/11/81/15/154118115.db2.gz XOACYMUASSSICL-CZWNDGCPSA-N 0 3 282.428 2.338 10 0 CEAEHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C)c1cccc(F)c1F ZINC000282484023 154161899 /nfs/dbraw/zinc/16/18/99/154161899.db2.gz XAXZMZCAPKTKLG-AUTRQRHGSA-N 0 3 268.307 2.283 10 0 CEAEHN CCc1nnc([C@H]2C[N@H+](CC3CCCCC3)CCO2)[n-]1 ZINC000173687181 165079707 /nfs/dbraw/zinc/07/97/07/165079707.db2.gz GVPVNWSRIHRQGX-CYBMUJFWSA-N 0 3 278.400 2.321 10 0 CEAEHN CCc1nnc([C@H]2C[N@@H+](CC3CCCCC3)CCO2)[n-]1 ZINC000173687181 165079708 /nfs/dbraw/zinc/07/97/08/165079708.db2.gz GVPVNWSRIHRQGX-CYBMUJFWSA-N 0 3 278.400 2.321 10 0 CEAEHN CCC[C@H](C)CS(=O)(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000173885208 165086286 /nfs/dbraw/zinc/08/62/86/165086286.db2.gz DSRPJSRPQOTIGV-MELADBBJSA-N 0 3 290.473 2.071 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccoc1C ZINC000174978647 165121576 /nfs/dbraw/zinc/12/15/76/165121576.db2.gz ZCCJIRVPGUCUAV-CHWSQXEVSA-N 0 3 262.353 2.287 10 0 CEAEHN CCCC[C@@H](CCC)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175984123 165151330 /nfs/dbraw/zinc/15/13/30/165151330.db2.gz WYYMRQQRVQVQSS-HUUCEWRRSA-N 0 3 299.459 2.317 10 0 CEAEHN CCOc1ncccc1C(=O)N(C)C[C@H]1CCCN1CC ZINC000177005489 165181254 /nfs/dbraw/zinc/18/12/54/165181254.db2.gz JSSMRCRAKFIXLF-CYBMUJFWSA-N 0 3 291.395 2.037 10 0 CEAEHN CC(C)n1ccc(CN2CCN3CCCC[C@@H]3C2)n1 ZINC000177752311 165207488 /nfs/dbraw/zinc/20/74/88/165207488.db2.gz UCZABFUSWMAXHK-OAHLLOKOSA-N 0 3 262.401 2.134 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCC(OCCC(C)C)CC1 ZINC000178033242 165217033 /nfs/dbraw/zinc/21/70/33/165217033.db2.gz HCLOQUQUSSHAQJ-AWEZNQCLSA-N 0 3 270.417 2.168 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccco1)CC2 ZINC000180628309 165318110 /nfs/dbraw/zinc/31/81/10/165318110.db2.gz XHFXVASGRUIRRE-WDEREUQCSA-N 0 3 260.341 2.099 10 0 CEAEHN CCCCC[C@H](CC)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000180862910 165322624 /nfs/dbraw/zinc/32/26/24/165322624.db2.gz PLODTHQISWELNI-LSDHHAIUSA-N 0 3 284.444 2.382 10 0 CEAEHN C[C@@H](CN1CCCC1)OC(=O)c1ccc2c(c1)OCCO2 ZINC000010002609 170394967 /nfs/dbraw/zinc/39/49/67/170394967.db2.gz LQCYPLYEOMNNJO-LBPRGKRZSA-N 0 3 291.347 2.099 10 0 CEAEHN COc1cccc([C@@H](N)Cn2c3ccccc3oc2=O)c1 ZINC000019271720 170767195 /nfs/dbraw/zinc/76/71/95/170767195.db2.gz GEQWEBKNECMGDJ-ZDUSSCGKSA-N 0 3 284.315 2.303 10 0 CEAEHN COc1ccc(OC)c([C@@H](CN)N(C)CC2CC2)c1 ZINC000020226464 171091686 /nfs/dbraw/zinc/09/16/86/171091686.db2.gz ZIBKGIVNURRVKX-CQSZACIVSA-N 0 3 264.369 2.045 10 0 CEAEHN COc1ccc(N(CCN)C(=O)CC(C)C)cc1 ZINC000020235983 171095965 /nfs/dbraw/zinc/09/59/65/171095965.db2.gz VMPMBUHGJWTMOJ-UHFFFAOYSA-N 0 3 250.342 2.033 10 0 CEAEHN N[C@@H](COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000020263559 171120656 /nfs/dbraw/zinc/12/06/56/171120656.db2.gz REEXDJKDQZZGDH-ZDUSSCGKSA-N 0 3 257.289 2.494 10 0 CEAEHN CN1CCNC[C@H]1c1cccc(Br)c1 ZINC000020268360 171124270 /nfs/dbraw/zinc/12/42/70/171124270.db2.gz NGUGKBBVKCAPOC-NSHDSACASA-N 0 3 255.159 2.025 10 0 CEAEHN CCOC(=O)C[C@H](N)c1ccccc1OC(F)F ZINC000020577827 171256564 /nfs/dbraw/zinc/25/65/64/171256564.db2.gz ADMSYJJIJTUNTQ-VIFPVBQESA-N 0 3 259.252 2.241 10 0 CEAEHN C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2CN)C1 ZINC000022210452 171373693 /nfs/dbraw/zinc/37/36/93/171373693.db2.gz LPLYJPZFDPGWCF-STQMWFEESA-N 0 3 275.396 2.062 10 0 CEAEHN c1ccc2c(c1)OC[C@@](C1=NCCN1)(C1CCCC1)O2 ZINC000026004477 171470225 /nfs/dbraw/zinc/47/02/25/171470225.db2.gz KOJFJNVDBMKHLS-INIZCTEOSA-N 0 3 272.348 2.389 10 0 CEAEHN Cc1cc(C)c(C(=O)CSC2=NCCN2)c(C)c1 ZINC000027299014 171511985 /nfs/dbraw/zinc/51/19/85/171511985.db2.gz ZRSVRSWPUDXUQH-UHFFFAOYSA-N 0 3 262.378 2.487 10 0 CEAEHN CCCNCc1c(C)nn(C)c1N(C)[C@H](C)CC ZINC000034825003 171880050 /nfs/dbraw/zinc/88/00/50/171880050.db2.gz OZXZMECUPULUEX-LLVKDONJSA-N 0 3 252.406 2.463 10 0 CEAEHN O=C(CN[C@H]1CCc2ccccc21)N1CCCCC1 ZINC000035180555 172034442 /nfs/dbraw/zinc/03/44/42/172034442.db2.gz MVVWPMUBQMKYDY-HNNXBMFYSA-N 0 3 258.365 2.276 10 0 CEAEHN CN[C@@H](c1cc(OC)ccc1OC)[C@@H]1CCCO1 ZINC000035466741 172214653 /nfs/dbraw/zinc/21/46/53/172214653.db2.gz GEOLBTYJAHCSEG-KBPBESRZSA-N 0 3 251.326 2.143 10 0 CEAEHN CN[C@H](CC(F)(F)F)c1ccc2c(c1)CC(=O)N2C ZINC000035497357 172230766 /nfs/dbraw/zinc/23/07/66/172230766.db2.gz SQTTVBPCMXEBPX-SNVBAGLBSA-N 0 3 272.270 2.418 10 0 CEAEHN CC(C)N[C@@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760628 172398798 /nfs/dbraw/zinc/39/87/98/172398798.db2.gz FBZLFVQKXUOOKK-CMPLNLGQSA-N 0 3 253.367 2.292 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc3cc(F)ccc3s2)C1 ZINC000037205131 173027415 /nfs/dbraw/zinc/02/74/15/173027415.db2.gz PWPGGJIZUWAGER-PSASIEDQSA-N 0 3 252.314 2.485 10 0 CEAEHN CCN[C@@H](C)c1ccccc1OCC(=O)N(C)CC ZINC000037223112 173043712 /nfs/dbraw/zinc/04/37/12/173043712.db2.gz FGCLJMWVXJKMEY-LBPRGKRZSA-N 0 3 264.369 2.214 10 0 CEAEHN COC(=O)c1ccccc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000037242270 173057737 /nfs/dbraw/zinc/05/77/37/173057737.db2.gz COBIOCBWSZMLED-FZMZJTMJSA-N 0 3 263.337 2.130 10 0 CEAEHN CC(C)CCNCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000037387705 173171040 /nfs/dbraw/zinc/17/10/40/173171040.db2.gz YXJTXDFZDCNJMW-UHFFFAOYSA-N 0 3 278.352 2.032 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccc(Br)cn1 ZINC000037395365 173176203 /nfs/dbraw/zinc/17/62/03/173176203.db2.gz DQKJERIUIBEVJL-MRVPVSSYSA-N 0 3 286.173 2.171 10 0 CEAEHN N[C@@H](Cc1ccccc1Br)c1cnccn1 ZINC000037467108 173226849 /nfs/dbraw/zinc/22/68/49/173226849.db2.gz KHYVEIZSBMSDSM-NSHDSACASA-N 0 3 278.153 2.482 10 0 CEAEHN CCn1c(CN[C@@H]2CCC[C@@H](O)C2)nc2ccccc21 ZINC000038046840 174056027 /nfs/dbraw/zinc/05/60/27/174056027.db2.gz IJQFWKJZEICZEN-CHWSQXEVSA-N 0 3 273.380 2.449 10 0 CEAEHN COC(=O)C[C@H](N)c1ccc(OC)c(Br)c1 ZINC000038052373 174063862 /nfs/dbraw/zinc/06/38/62/174063862.db2.gz IYVWGBFPKXXSJG-VIFPVBQESA-N 0 3 288.141 2.021 10 0 CEAEHN CC[C@@H](C)N[C@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000038065142 174076085 /nfs/dbraw/zinc/07/60/85/174076085.db2.gz ZIHIMHYSSUIQGW-RISCZKNCSA-N 0 3 264.369 2.388 10 0 CEAEHN CCN1CCC(NC(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000038098289 174113522 /nfs/dbraw/zinc/11/35/22/174113522.db2.gz NDDLTVMRVCJZFB-UHFFFAOYSA-N 0 3 281.787 2.136 10 0 CEAEHN CCC[C@@H]1CN(C(=O)OCc2ccccc2)CCN1 ZINC000039952243 174176994 /nfs/dbraw/zinc/17/69/94/174176994.db2.gz LZKIDRNIHSEQGN-CQSZACIVSA-N 0 3 262.353 2.397 10 0 CEAEHN CSCC[C@H](N)C(=O)N(CC(C)C)CC(F)(F)F ZINC000040467913 174276242 /nfs/dbraw/zinc/27/62/42/174276242.db2.gz CLEWMMGJRKCXHR-VIFPVBQESA-N 0 3 286.363 2.114 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491255 174292405 /nfs/dbraw/zinc/29/24/05/174292405.db2.gz WATNMFWNPGVNCL-JRPNMDOOSA-N 0 3 294.395 2.254 10 0 CEAEHN C[C@@H](N)c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495021 174293661 /nfs/dbraw/zinc/29/36/61/174293661.db2.gz WEEMWYVQBRTDRG-SNVBAGLBSA-N 0 3 270.398 2.031 10 0 CEAEHN Cc1cc(C)c(CN)c(N(C)Cc2cccnc2)n1 ZINC000040509445 174303427 /nfs/dbraw/zinc/30/34/27/174303427.db2.gz AQFYXUPOXRRIKY-UHFFFAOYSA-N 0 3 256.353 2.189 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000040629908 174357801 /nfs/dbraw/zinc/35/78/01/174357801.db2.gz MRYBSHBHHUISQN-KWQFWETISA-N 0 3 288.269 2.021 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccccc2C(C)C)C1 ZINC000040630080 174357916 /nfs/dbraw/zinc/35/79/16/174357916.db2.gz CDEKXQUWXJALSG-BXUZGUMPSA-N 0 3 262.353 2.125 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccccc2C(C)C)C1 ZINC000040630076 174357967 /nfs/dbraw/zinc/35/79/67/174357967.db2.gz CDEKXQUWXJALSG-SMDDNHRTSA-N 0 3 262.353 2.125 10 0 CEAEHN CSc1ccc([C@@H](C)NC(C)(C)C(N)=O)cc1 ZINC000040674312 174372791 /nfs/dbraw/zinc/37/27/91/174372791.db2.gz ATZYZDIQSXEYJC-SECBINFHSA-N 0 3 252.383 2.323 10 0 CEAEHN CCOC1CCN(C[C@H](N)c2cccc(OC)c2)CC1 ZINC000040689280 174376291 /nfs/dbraw/zinc/37/62/91/174376291.db2.gz FZPHRVKZJHZYMU-INIZCTEOSA-N 0 3 278.396 2.196 10 0 CEAEHN CCOC1CCN(C[C@H](N)c2ccc(C)cc2)CC1 ZINC000040689292 174376558 /nfs/dbraw/zinc/37/65/58/174376558.db2.gz UZWNEIOSYFNDIN-INIZCTEOSA-N 0 3 262.397 2.496 10 0 CEAEHN Cc1cc(=O)n(C[C@H](N)c2ccc(OC(C)C)cc2)cn1 ZINC000040728068 174387690 /nfs/dbraw/zinc/38/76/90/174387690.db2.gz PLAGKOIYNAECMB-HNNXBMFYSA-N 0 3 287.363 2.039 10 0 CEAEHN NCc1cccc(NC(=O)NCCc2ccc(O)cc2)c1 ZINC000040737282 174389708 /nfs/dbraw/zinc/38/97/08/174389708.db2.gz QRFOVSNUJWPYQM-UHFFFAOYSA-N 0 3 285.347 2.215 10 0 CEAEHN Cc1cc(C)c([C@@H](N)CN2C(=O)C[C@H](C)C2=O)c(C)c1 ZINC000040739890 174390525 /nfs/dbraw/zinc/39/05/25/174390525.db2.gz IRFRLQHCYBEWTL-STQMWFEESA-N 0 3 274.364 2.007 10 0 CEAEHN CC(C)c1ccc([C@@H](N)CN2C(=O)C[C@@H](C)C2=O)cc1 ZINC000040739741 174390549 /nfs/dbraw/zinc/39/05/49/174390549.db2.gz YPOLOXMLOVVNHE-RISCZKNCSA-N 0 3 274.364 2.205 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000040829076 174411564 /nfs/dbraw/zinc/41/15/64/174411564.db2.gz IMEMRJCLDQTMNZ-GFCCVEGCSA-N 0 3 274.324 2.049 10 0 CEAEHN CC(C)(N)c1cn(Cc2csc(-c3ccco3)n2)nn1 ZINC000070117902 414765965 /nfs/dbraw/zinc/76/59/65/414765965.db2.gz DPYQSQQJMPISIJ-UHFFFAOYSA-N 0 3 289.364 2.237 10 0 CEAEHN CC(C)c1ccc(CN2CC[C@H]3OCCN[C@H]3C2)cc1 ZINC000404061565 414772231 /nfs/dbraw/zinc/77/22/31/414772231.db2.gz DFCNHXMNXGVCCG-DLBZAZTESA-N 0 3 274.408 2.373 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000126433025 414801030 /nfs/dbraw/zinc/80/10/30/414801030.db2.gz MSZBBMMGRVJINQ-ZNMIVQPWSA-N 0 3 290.407 2.329 10 0 CEAEHN CSc1ccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)cc1 ZINC000662978402 414817006 /nfs/dbraw/zinc/81/70/06/414817006.db2.gz PBRJWBIEPAIANZ-JTQLQIEISA-N 0 3 292.326 2.370 10 0 CEAEHN CC[C@@H]1C[C@@H](N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CO1 ZINC000657298641 414842609 /nfs/dbraw/zinc/84/26/09/414842609.db2.gz WJTGKHFRIPUOIP-IACUBPJLSA-N 0 3 297.420 2.308 10 0 CEAEHN CC(C)CN(CCN(C)C)c1cccc(F)c1N ZINC000042740804 174862802 /nfs/dbraw/zinc/86/28/02/174862802.db2.gz DFWXFWQNRNCTJL-UHFFFAOYSA-N 0 3 253.365 2.432 10 0 CEAEHN Cc1c(CNC[C@@H]2CCN2Cc2ccccc2)cnn1C ZINC000657806284 415086312 /nfs/dbraw/zinc/08/63/12/415086312.db2.gz CQOAIYBFLRLCAX-KRWDZBQOSA-N 0 3 284.407 2.093 10 0 CEAEHN COc1ccc(CNC2CC(CO)C2)c(Cl)c1OC ZINC000657812300 415089800 /nfs/dbraw/zinc/08/98/00/415089800.db2.gz GXYWSBLATRPBQJ-UHFFFAOYSA-N 0 3 285.771 2.218 10 0 CEAEHN CN[C@@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300261 175001218 /nfs/dbraw/zinc/00/12/18/175001218.db2.gz POEOQSUZTHXCNW-PWSUYJOCSA-N 0 3 273.785 2.035 10 0 CEAEHN CN[C@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300570 175001318 /nfs/dbraw/zinc/00/13/18/175001318.db2.gz STVPDQXMMCBIIC-SKDRFNHKSA-N 0 3 273.785 2.035 10 0 CEAEHN CCN[C@H](c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300824 175001509 /nfs/dbraw/zinc/00/15/09/175001509.db2.gz WABGGBONWWRVRT-GXFFZTMASA-N 0 3 289.347 2.050 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N(C)Cc1cc(C)on1 ZINC000043335288 175010912 /nfs/dbraw/zinc/01/09/12/175010912.db2.gz JRZVRSGBBJKGCB-TZMCWYRMSA-N 0 3 263.341 2.486 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N1CCOC(C)(C)C1 ZINC000043335315 175011369 /nfs/dbraw/zinc/01/13/69/175011369.db2.gz MASJFWGIAUTZLC-DGCLKSJQSA-N 0 3 252.358 2.169 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccco1)N(CCOC)[C@@H](C)COC ZINC000043336208 175011926 /nfs/dbraw/zinc/01/19/26/175011926.db2.gz CMPPHGYFZYMJFC-GUTXKFCHSA-N 0 3 284.400 2.041 10 0 CEAEHN C[C@H](N)[C@H](Oc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337395 175012526 /nfs/dbraw/zinc/01/25/26/175012526.db2.gz BIAKIBKSKBWCEB-XPTSAGLGSA-N 0 3 261.277 2.476 10 0 CEAEHN Cc1ccc([C@H]([C@H](C)N)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000043363673 175024060 /nfs/dbraw/zinc/02/40/60/175024060.db2.gz ZPGUZNUGBZIOPP-OPDFLTKYSA-N 0 3 252.358 2.086 10 0 CEAEHN CCN[C@H](CN(C)C1CC1)c1cc(OC)ccc1OC ZINC000043823169 175114617 /nfs/dbraw/zinc/11/46/17/175114617.db2.gz JUQIWXKVALNIMX-OAHLLOKOSA-N 0 3 278.396 2.449 10 0 CEAEHN CN[C@H](CN1CCC(OC)CC1)c1cccc(OC)c1 ZINC000043889970 175117850 /nfs/dbraw/zinc/11/78/50/175117850.db2.gz UUPWPYCBAZFEFE-MRXNPFEDSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N1CCOCC1(C)C ZINC000043917137 175125524 /nfs/dbraw/zinc/12/55/24/175125524.db2.gz KMDQYBRSZZLHDL-ZBFHGGJFSA-N 0 3 290.407 2.209 10 0 CEAEHN C[C@@H]1C[C@@H](C)CN([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044113779 175141215 /nfs/dbraw/zinc/14/12/15/175141215.db2.gz BTWVWUFBRRLAKJ-NCZKRNLISA-N 0 3 261.365 2.459 10 0 CEAEHN CC(C)C(=O)NCCN[C@H]1CCCc2cc(O)ccc21 ZINC000044746851 175242623 /nfs/dbraw/zinc/24/26/23/175242623.db2.gz LKAKAKZRDQLLAJ-HNNXBMFYSA-N 0 3 276.380 2.131 10 0 CEAEHN CNC(=O)CCN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000044988890 175285587 /nfs/dbraw/zinc/28/55/87/175285587.db2.gz BMOOBVRUKAYZHC-JTQLQIEISA-N 0 3 276.336 2.228 10 0 CEAEHN CC1(NC(=O)[C@H](N)Cc2ccccc2)CCCCC1 ZINC000045046940 175296123 /nfs/dbraw/zinc/29/61/23/175296123.db2.gz JSSHBNBWWBWMPX-CQSZACIVSA-N 0 3 260.381 2.395 10 0 CEAEHN CCCNC(=O)CCN[C@H](C)c1scnc1C ZINC000045072907 175302870 /nfs/dbraw/zinc/30/28/70/175302870.db2.gz HHRZHNVNUSLVMI-SECBINFHSA-N 0 3 255.387 2.018 10 0 CEAEHN NC1(C(=O)N2CCC[C@@H]2C2CCCC2)CCCC1 ZINC000045088366 175304529 /nfs/dbraw/zinc/30/45/29/175304529.db2.gz LAQBPKHPKFSAAR-CYBMUJFWSA-N 0 3 250.386 2.439 10 0 CEAEHN CSCC[C@H](N)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000045088399 175304560 /nfs/dbraw/zinc/30/45/60/175304560.db2.gz YEAASVGQFAWLFF-STQMWFEESA-N 0 3 270.442 2.248 10 0 CEAEHN C[C@@H](CNC1=NC[C@@H](c2ccccc2)S1)N(C)C ZINC000045108733 175308722 /nfs/dbraw/zinc/30/87/22/175308722.db2.gz DJOGOWISPFTNJH-AAEUAGOBSA-N 0 3 263.410 2.370 10 0 CEAEHN CC[C@H](N)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138171 175314761 /nfs/dbraw/zinc/31/47/61/175314761.db2.gz BNBPGHXBRXHKGO-STQMWFEESA-N 0 3 282.409 2.173 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c([C@H]2CCCCN2)n1 ZINC000045169343 175319931 /nfs/dbraw/zinc/31/99/31/175319931.db2.gz QEVWXLOLBJYMTN-LLVKDONJSA-N 0 3 259.357 2.242 10 0 CEAEHN CCn1nc(C)c(-c2c[nH]c([C@](C)(N)C3CC3)n2)c1C ZINC000045169481 175319986 /nfs/dbraw/zinc/31/99/86/175319986.db2.gz BLYOMONDRMWMCP-OAHLLOKOSA-N 0 3 273.384 2.494 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@@H](C)Cn2cccn2)c1C ZINC000045171220 175321060 /nfs/dbraw/zinc/32/10/60/175321060.db2.gz VTRJTEJVVASTRY-NWDGAFQWSA-N 0 3 275.400 2.456 10 0 CEAEHN CCN[C@](C)(CC[NH+]1CCCCCCC1)C(=O)[O-] ZINC000045223722 175331310 /nfs/dbraw/zinc/33/13/10/175331310.db2.gz ORWMOJYBJXRPPR-CQSZACIVSA-N 0 3 256.390 2.095 10 0 CEAEHN CC[NH2+][C@](C)(CCN1CCCCCCC1)C(=O)[O-] ZINC000045223722 175331311 /nfs/dbraw/zinc/33/13/11/175331311.db2.gz ORWMOJYBJXRPPR-CQSZACIVSA-N 0 3 256.390 2.095 10 0 CEAEHN CN[C@@](CN1CCCC[C@@H]1C)(C(=O)OC)c1ccccc1 ZINC000045226873 175333776 /nfs/dbraw/zinc/33/37/76/175333776.db2.gz CGRCSFZKYBHDOI-WMLDXEAASA-N 0 3 290.407 2.149 10 0 CEAEHN CC(C)[NH2+][C@](C)(CCN(C)C1CCCC1)C(=O)[O-] ZINC000045266221 175339286 /nfs/dbraw/zinc/33/92/86/175339286.db2.gz RLONCHQOTKTKMJ-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)N[C@](C)(CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266221 175339287 /nfs/dbraw/zinc/33/92/87/175339287.db2.gz RLONCHQOTKTKMJ-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)N[C@](C)(CC[N@@H+](C)C1CCCC1)C(=O)[O-] ZINC000045266221 175339289 /nfs/dbraw/zinc/33/92/89/175339289.db2.gz RLONCHQOTKTKMJ-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN[C@@](C)(CN(CCC)C1CC1)C(=O)OCC ZINC000045267885 175339705 /nfs/dbraw/zinc/33/97/05/175339705.db2.gz KHDRXSCWMDEXTP-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CC[N@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])C1CCCC1 ZINC000045269268 175340478 /nfs/dbraw/zinc/34/04/78/175340478.db2.gz YKNSSYQCEUBYHM-OAHLLOKOSA-N 0 3 270.417 2.482 10 0 CEAEHN CC[N@@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])C1CCCC1 ZINC000045269268 175340479 /nfs/dbraw/zinc/34/04/79/175340479.db2.gz YKNSSYQCEUBYHM-OAHLLOKOSA-N 0 3 270.417 2.482 10 0 CEAEHN CCCN[C@@](C)(CN(CC(C)C)C1CC1)C(=O)OCC ZINC000045277500 175347011 /nfs/dbraw/zinc/34/70/11/175347011.db2.gz SBPXEVGBVITNAT-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)CC(C)(C)C)NC1CC1 ZINC000045279353 175349195 /nfs/dbraw/zinc/34/91/95/175349195.db2.gz SAZFSJFVDGQWKG-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCN[C@](C)(CN(C)CC(C)(C)C)C(=O)OCC ZINC000045279342 175349590 /nfs/dbraw/zinc/34/95/90/175349590.db2.gz DORKIIASLMPHOM-OAHLLOKOSA-N 0 3 272.433 2.286 10 0 CEAEHN CCC1CCN(CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])CC1 ZINC000045281422 175351584 /nfs/dbraw/zinc/35/15/84/175351584.db2.gz RSKWATHFUOEFEQ-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)CCC(C)C)NC1CC1 ZINC000045281253 175352130 /nfs/dbraw/zinc/35/21/30/175352130.db2.gz RMXWMNYRFMVCEK-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCC1CCN(CC[C@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281469 175352574 /nfs/dbraw/zinc/35/25/74/175352574.db2.gz BQNRQENMUGQDOG-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCCN(CC)C[C@@H](NC(C)C)C(=O)OCC ZINC000045370334 175363872 /nfs/dbraw/zinc/36/38/72/175363872.db2.gz HYXSCESUCLEEND-CYBMUJFWSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCCN(CCCC)C[C@@H](NCC)C(=O)OC ZINC000045380509 175369378 /nfs/dbraw/zinc/36/93/78/175369378.db2.gz RDHZEZWNVKILSV-CYBMUJFWSA-N 0 3 258.406 2.040 10 0 CEAEHN CCCCCN(C)C[C@H](NC(C)C)C(=O)OCC ZINC000045387852 175374253 /nfs/dbraw/zinc/37/42/53/175374253.db2.gz MVMKXDBJZKLVJM-ZDUSSCGKSA-N 0 3 258.406 2.038 10 0 CEAEHN C[C@H](NC1CC(CO)C1)c1ccc2c(c1)OCCCO2 ZINC000658351300 415334274 /nfs/dbraw/zinc/33/42/74/415334274.db2.gz MUMJAZVYIGYAIP-DCBWTQNWSA-N 0 3 277.364 2.269 10 0 CEAEHN C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(CN)cn2)C1 ZINC000070546002 175979866 /nfs/dbraw/zinc/97/98/66/175979866.db2.gz FKOPKJOYTIBJFE-STQMWFEESA-N 0 3 275.396 2.487 10 0 CEAEHN CCC[C@@H](C(N)=S)N1CCN(Cc2ccccc2)CC1 ZINC000070996205 176020551 /nfs/dbraw/zinc/02/05/51/176020551.db2.gz LMLBDXMGSOEQKA-HNNXBMFYSA-N 0 3 291.464 2.259 10 0 CEAEHN Cc1cc(F)ccc1N1CC[C@@H](NC(C)C)C1=O ZINC000071032802 176023577 /nfs/dbraw/zinc/02/35/77/176023577.db2.gz IIKIXORTNKYNNR-GFCCVEGCSA-N 0 3 250.317 2.237 10 0 CEAEHN Cc1ccc(F)cc1N1CC[C@H](NC(C)C)C1=O ZINC000071033487 176023716 /nfs/dbraw/zinc/02/37/16/176023716.db2.gz AXHSURYTRRLIIG-LBPRGKRZSA-N 0 3 250.317 2.237 10 0 CEAEHN COc1ccc(Cl)cc1N1CC[C@H](NC(C)C)C1=O ZINC000071035964 176025504 /nfs/dbraw/zinc/02/55/04/176025504.db2.gz FRLSQIGWBFDMFN-NSHDSACASA-N 0 3 282.771 2.452 10 0 CEAEHN Cc1ccc([C@@H](C)N2CC[C@@H](NC3CC3)C2=O)cc1 ZINC000071036615 176025893 /nfs/dbraw/zinc/02/58/93/176025893.db2.gz VFYJKCFGTNLZFW-IUODEOHRSA-N 0 3 258.365 2.409 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1cccc(Cl)c1F ZINC000071038998 176027082 /nfs/dbraw/zinc/02/70/82/176027082.db2.gz AOSIHUGQNHPSLP-JTQLQIEISA-N 0 3 268.719 2.336 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000071038973 176027140 /nfs/dbraw/zinc/02/71/40/176027140.db2.gz VFRGLXRGQSCWOT-GFCCVEGCSA-N 0 3 268.719 2.336 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1cc(Cl)ccc1F ZINC000071039907 176027396 /nfs/dbraw/zinc/02/73/96/176027396.db2.gz GIYCPEDLOHOYNW-LLVKDONJSA-N 0 3 268.719 2.336 10 0 CEAEHN Cc1ccc(CN2CCC[C@H](NC3CC3)C2=O)s1 ZINC000071042030 176028426 /nfs/dbraw/zinc/02/84/26/176028426.db2.gz CXWMBTXJYNKIPC-ZDUSSCGKSA-N 0 3 264.394 2.300 10 0 CEAEHN CN(C)C[C@H](O)CNc1ccccc1C(C)(C)C ZINC000071174293 176053525 /nfs/dbraw/zinc/05/35/25/176053525.db2.gz NUMRBEZKIILNSO-GFCCVEGCSA-N 0 3 250.386 2.319 10 0 CEAEHN C[C@H](N)c1ccc2ccccc2c1O[C@H]1CCN(C)C1=O ZINC000071182982 176058198 /nfs/dbraw/zinc/05/81/98/176058198.db2.gz PGWOZFRWLPUNGT-NHYWBVRUSA-N 0 3 284.359 2.469 10 0 CEAEHN CCOc1cc2c(cc1CNC[C@@H](O)C1CC1)O[C@@H](C)C2 ZINC000071277920 176107749 /nfs/dbraw/zinc/10/77/49/176107749.db2.gz NSYSJTIAMFZRPP-XHDPSFHLSA-N 0 3 291.391 2.269 10 0 CEAEHN COCCNCc1cc(C)ccc1OCCCC(=O)OC ZINC000071407470 176156166 /nfs/dbraw/zinc/15/61/66/176156166.db2.gz XMMWVNJAIGFXCG-UHFFFAOYSA-N 0 3 295.379 2.063 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1ccc(C)cc1CNCCOC ZINC000071407445 176156266 /nfs/dbraw/zinc/15/62/66/176156266.db2.gz GBPBTESUMMVPTI-CYBMUJFWSA-N 0 3 295.379 2.061 10 0 CEAEHN COCCNCc1cc(C)ccc1OC[C@H]1CCCO1 ZINC000071407486 176156482 /nfs/dbraw/zinc/15/64/82/176156482.db2.gz CSXORSLQURVHQT-OAHLLOKOSA-N 0 3 279.380 2.289 10 0 CEAEHN Cc1cc2c([nH]c(SCCCN(C)C)nc2=O)s1 ZINC000071514799 176193383 /nfs/dbraw/zinc/19/33/83/176193383.db2.gz KJEPJJJJKOGLOG-UHFFFAOYSA-N 0 3 283.422 2.337 10 0 CEAEHN CN[C@H](C(=O)c1ccc(OC)c(OC)c1)C(C)C ZINC000071573075 176199379 /nfs/dbraw/zinc/19/93/79/176199379.db2.gz WPFVMBCKUYMPTJ-ZDUSSCGKSA-N 0 3 251.326 2.131 10 0 CEAEHN COCCOc1ccc(-c2nc(CN)cs2)cc1 ZINC000071596826 176220082 /nfs/dbraw/zinc/22/00/82/176220082.db2.gz CJRSGLDDUUDXJN-UHFFFAOYSA-N 0 3 264.350 2.294 10 0 CEAEHN N[C@@H](CO)c1cc(Br)ccc1Cl ZINC000072199131 176339824 /nfs/dbraw/zinc/33/98/24/176339824.db2.gz UNPVIFJKIFEUKM-QMMMGPOBSA-N 0 3 250.523 2.095 10 0 CEAEHN O[C@]12CCCC[C@@H]1CN(CCO[C@H]1CC1(F)F)CC2 ZINC000660013185 415851388 /nfs/dbraw/zinc/85/13/88/415851388.db2.gz POHWOEAFWQGZDQ-AGIUHOORSA-N 0 3 275.339 2.038 10 0 CEAEHN Cc1csc([C@H](C)NCC2(O)CCSCC2)n1 ZINC000660266195 415948428 /nfs/dbraw/zinc/94/84/28/415948428.db2.gz OKSJEFNVDLBSHU-JTQLQIEISA-N 0 3 272.439 2.360 10 0 CEAEHN CCOc1ccc(CN(C(=O)CN)C(C)(C)C)cc1 ZINC000076680185 177058096 /nfs/dbraw/zinc/05/80/96/177058096.db2.gz JSZQOXNDXMJDNA-UHFFFAOYSA-N 0 3 264.369 2.171 10 0 CEAEHN Cc1nc2sccn2c1CNC[C@H]1CCCC[C@@H]1O ZINC000077204581 177233072 /nfs/dbraw/zinc/23/30/72/177233072.db2.gz CFMCRQSJWFRQSE-YPMHNXCESA-N 0 3 279.409 2.345 10 0 CEAEHN COC[C@](C)(N)c1ccc(Br)s1 ZINC000077429997 177266141 /nfs/dbraw/zinc/26/61/41/177266141.db2.gz RPXJCJKKBHMADC-QMMMGPOBSA-N 0 3 250.161 2.331 10 0 CEAEHN C[C@@H]1CCC[C@@H](CN2CCC([N@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524423 287394283 /nfs/dbraw/zinc/39/42/83/287394283.db2.gz SPEXVVXINZSDJD-ZIAGYGMSSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@H]1CCC[C@@H](CN2CCC([N@@H+](C)CC(=O)[O-])CC2)C1 ZINC000263524423 287394285 /nfs/dbraw/zinc/39/42/85/287394285.db2.gz SPEXVVXINZSDJD-ZIAGYGMSSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@H]1CCC[C@@H](C[NH+]2CCC(N(C)CC(=O)[O-])CC2)C1 ZINC000263524423 287394287 /nfs/dbraw/zinc/39/42/87/287394287.db2.gz SPEXVVXINZSDJD-ZIAGYGMSSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc3c(c2)OCCCO3)CCCCN1 ZINC000136141160 419441022 /nfs/dbraw/zinc/44/10/22/419441022.db2.gz SARAUBLSSIGACC-INIZCTEOSA-N 0 3 290.363 2.319 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CN2CCCCC2)O1 ZINC000152019513 287722276 /nfs/dbraw/zinc/72/22/76/287722276.db2.gz COFWFKDNMVTTJY-RBSFLKMASA-N 0 3 280.412 2.031 10 0 CEAEHN C[C@@H](c1cccc(F)c1)N1CCO[C@@H](CN(C)C)C1 ZINC000247105990 274277755 /nfs/dbraw/zinc/27/77/55/274277755.db2.gz IRBCCNVQGVMGNS-WFASDCNBSA-N 0 3 266.360 2.149 10 0 CEAEHN c1cn([C@@H]2CO[C@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000096072839 275072576 /nfs/dbraw/zinc/07/25/76/275072576.db2.gz PXNWSKSJPBZLHN-DLBZAZTESA-N 0 3 283.375 2.489 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC000176995510 276181490 /nfs/dbraw/zinc/18/14/90/276181490.db2.gz UZLYRMJKIVDIDI-LBPRGKRZSA-N 0 3 250.342 2.144 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCC23CCCC3)C1 ZINC000336123189 276782617 /nfs/dbraw/zinc/78/26/17/276782617.db2.gz RPPOJLWVZSICOQ-OLZOCXBDSA-N 0 3 265.401 2.055 10 0 CEAEHN C[C@H](c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246925860 278311055 /nfs/dbraw/zinc/31/10/55/278311055.db2.gz JEAPGGMTGADLRZ-GDBMZVCRSA-N 0 3 260.381 2.154 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000345359249 279133771 /nfs/dbraw/zinc/13/37/71/279133771.db2.gz XOAKAZCJSKPCSE-BFHYXJOUSA-N 0 3 264.417 2.455 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@H](C)CC[C@@H]2C)C1 ZINC000174235109 279319890 /nfs/dbraw/zinc/31/98/90/279319890.db2.gz FTOYYESCZGGULK-RDBSUJKOSA-N 0 3 267.417 2.301 10 0 CEAEHN CC[C@@H](CCO)CN[C@H](COC)c1ccccc1 ZINC000233876561 280138880 /nfs/dbraw/zinc/13/88/80/280138880.db2.gz DDISZAGYOOJBFI-DZGCQCFKSA-N 0 3 251.370 2.372 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCC2(SC)CCC2)C1 ZINC000194917211 280198783 /nfs/dbraw/zinc/19/87/83/280198783.db2.gz UHFFPZXSUXGODH-LBPRGKRZSA-N 0 3 285.457 2.056 10 0 CEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(Cl)c(F)c1 ZINC000215000662 280208007 /nfs/dbraw/zinc/20/80/07/280208007.db2.gz JZHBFVRDGJQZRE-CMPLNLGQSA-N 0 3 286.778 2.460 10 0 CEAEHN CCc1cnc(CN2C[C@@H]3CCCCN3C[C@@H]2C)o1 ZINC000229726617 280218182 /nfs/dbraw/zinc/21/81/82/280218182.db2.gz GQHBQOMWSJHEKZ-STQMWFEESA-N 0 3 263.385 2.296 10 0 CEAEHN Cc1c(CNC[C@H](c2ccccc2)N(C)C)cnn1C ZINC000093649248 280226885 /nfs/dbraw/zinc/22/68/85/280226885.db2.gz VCJPMLZGDGWUAZ-MRXNPFEDSA-N 0 3 272.396 2.121 10 0 CEAEHN C[C@H](CCS(C)(=O)=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000245602655 280252835 /nfs/dbraw/zinc/25/28/35/280252835.db2.gz GNLHFYFFOIPNIL-LALPHHSUSA-N 0 3 281.421 2.333 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccnc1C ZINC000246543973 280300164 /nfs/dbraw/zinc/30/01/64/280300164.db2.gz KBFHMOACZLGBAA-KBPBESRZSA-N 0 3 273.380 2.089 10 0 CEAEHN Cc1cc(Br)cnc1N1CCNC(C)(C)C1 ZINC000133191814 280311604 /nfs/dbraw/zinc/31/16/04/280311604.db2.gz ZMHKIOXZTKJTPO-UHFFFAOYSA-N 0 3 284.201 2.341 10 0 CEAEHN CC[C@H]1CN(Cc2ccncc2Cl)CCN1C[C@H](C)O ZINC000247461543 280330115 /nfs/dbraw/zinc/33/01/15/280330115.db2.gz ILDUQLRDDMLERY-JSGCOSHPSA-N 0 3 297.830 2.012 10 0 CEAEHN Cc1ccc2c(c1)[C@H](NC[C@@H]1CN(C)CCO1)[C@@H](C)C2 ZINC000180844587 281119293 /nfs/dbraw/zinc/11/92/93/281119293.db2.gz WYHMSVCLLZTOSQ-YSVLISHTSA-N 0 3 274.408 2.149 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)N1CCc2ccccc21 ZINC000176680051 288301537 /nfs/dbraw/zinc/30/15/37/288301537.db2.gz MRXORTGUCWRAIY-UKRRQHHQSA-N 0 3 285.391 2.338 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1sc(C)nc1C ZINC000175044035 281194253 /nfs/dbraw/zinc/19/42/53/281194253.db2.gz IFRWOZRGQQGNPI-QWHCGFSZSA-N 0 3 293.436 2.459 10 0 CEAEHN CCC[C@H](C(=O)N1CCSC(C)(C)C1)N(C)C ZINC000152524669 289091891 /nfs/dbraw/zinc/09/18/91/289091891.db2.gz MLEUJGYCAQCBAJ-LLVKDONJSA-N 0 3 258.431 2.071 10 0 CEAEHN CCC[C@H](C(=O)NC[C@]1(C)CCCS1)N(C)C ZINC000154212658 289138318 /nfs/dbraw/zinc/13/83/18/289138318.db2.gz XPEDZQSHIOEJJK-YPMHNXCESA-N 0 3 258.431 2.119 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000155498927 289175549 /nfs/dbraw/zinc/17/55/49/289175549.db2.gz YUDAQOPUCHOVCQ-JSGCOSHPSA-N 0 3 252.402 2.412 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000152201044 289384579 /nfs/dbraw/zinc/38/45/79/289384579.db2.gz LHBVEHZNUOUJIS-JKSUJKDBSA-N 0 3 272.392 2.343 10 0 CEAEHN C[C@H]1CC(NC(=O)N2CC[C@@H](N(C)C)C2)C[C@H](C)C1 ZINC000246776275 290346469 /nfs/dbraw/zinc/34/64/69/290346469.db2.gz BUKCLRAFRIXQBO-YRGRVCCFSA-N 0 3 267.417 2.157 10 0 CEAEHN Cc1nc([C@@H]2CCCCN2CC2CCOCC2)n[nH]1 ZINC000328618236 293365880 /nfs/dbraw/zinc/36/58/80/293365880.db2.gz UXTFBBPSMADXCJ-ZDUSSCGKSA-N 0 3 264.373 2.067 10 0 CEAEHN NC[C@H](C(=O)N1C[C@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000178566420 295261232 /nfs/dbraw/zinc/26/12/32/295261232.db2.gz RYRXBUBGWJROLP-OAGGEKHMSA-N 0 3 272.392 2.378 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccnc1Cl ZINC000083550576 300314551 /nfs/dbraw/zinc/31/45/51/300314551.db2.gz ZVNFXVFCXHEVCL-WDEREUQCSA-N 0 3 279.771 2.044 10 0 CEAEHN CC(C)[NH2+]CCCS(=O)(=O)[N-]c1cc(F)ccc1F ZINC000049640872 519720899 /nfs/dbraw/zinc/72/08/99/519720899.db2.gz ZWZJSBWZQHSGIS-UHFFFAOYSA-N 0 3 292.351 2.095 10 0 CEAEHN CC(C)[NH2+][C@@](C)(C[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000068620380 519736483 /nfs/dbraw/zinc/73/64/83/519736483.db2.gz YIKAGFAQDAOBAO-OCCSQVGLSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)N[C@@H](CCSc1ccc(F)cc1)C(N)=O ZINC000062598932 519734823 /nfs/dbraw/zinc/73/48/23/519734823.db2.gz YJCCSEFGJBWZJO-LBPRGKRZSA-N 0 3 270.373 2.160 10 0 CEAEHN CCCN1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054558125 519860284 /nfs/dbraw/zinc/86/02/84/519860284.db2.gz QOHPMNYDPXIIHD-JYJNAYRXSA-N 0 3 268.445 2.200 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000061290767 519906162 /nfs/dbraw/zinc/90/61/62/519906162.db2.gz UBEDCVDPCANIJR-UHFFFAOYSA-N 0 3 298.770 2.453 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(COC)c1 ZINC000061290295 519907525 /nfs/dbraw/zinc/90/75/25/519907525.db2.gz ZMEIXMJZKXHWFR-UHFFFAOYSA-N 0 3 250.342 2.160 10 0 CEAEHN CCCNCc1cc(Cl)ccc1OC[C@H](O)COC ZINC000069053450 519944734 /nfs/dbraw/zinc/94/47/34/519944734.db2.gz RALDNDVUVFOEAL-CYBMUJFWSA-N 0 3 287.787 2.226 10 0 CEAEHN CCNCc1cnc(N(CC)[C@H](C)COC)s1 ZINC000054906492 520016313 /nfs/dbraw/zinc/01/63/13/520016313.db2.gz XYFWNFBBDYPJKU-SNVBAGLBSA-N 0 3 257.403 2.114 10 0 CEAEHN CCCN[C@H](CCN(CC)c1cccc(C)c1)C(N)=O ZINC000062452986 520071505 /nfs/dbraw/zinc/07/15/05/520071505.db2.gz ZRDHDCAGNZLJIN-OAHLLOKOSA-N 0 3 277.412 2.065 10 0 CEAEHN CCOC[C@H](O)COc1ccc(Cl)cc1[C@@H](C)NC ZINC000069275800 520163752 /nfs/dbraw/zinc/16/37/52/520163752.db2.gz RVRKBAYDCGAVHU-PWSUYJOCSA-N 0 3 287.787 2.397 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OC[C@H](O)COC ZINC000069054005 520176314 /nfs/dbraw/zinc/17/63/14/520176314.db2.gz YLTVIGFKSGGMED-CHWSQXEVSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@H](C)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900575 520180825 /nfs/dbraw/zinc/18/08/25/520180825.db2.gz DKRZKOKZVWAHSD-OUAUKWLOSA-N 0 3 269.414 2.427 10 0 CEAEHN CCN[C@H](CCSCc1cccc(C)c1)C(N)=O ZINC000062604051 520194844 /nfs/dbraw/zinc/19/48/44/520194844.db2.gz IWWKQNWZSRVCKJ-CYBMUJFWSA-N 0 3 266.410 2.082 10 0 CEAEHN CCCOc1ccc([C@H](N[C@H](C)CC)C(N)=O)cc1 ZINC000052920277 520430247 /nfs/dbraw/zinc/43/02/47/520430247.db2.gz NOYCCVZREJRQIM-RISCZKNCSA-N 0 3 264.369 2.390 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCC(C)(C)CC1)NC1CC1 ZINC000062532978 521242642 /nfs/dbraw/zinc/24/26/42/521242642.db2.gz ORVCFGPDFWNJHU-AWEZNQCLSA-N 0 3 282.428 2.182 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCC(C)CC1)NC(C)C ZINC000062439774 521244341 /nfs/dbraw/zinc/24/43/41/521244341.db2.gz VPEGEGLJPIWJAJ-AWEZNQCLSA-N 0 3 270.417 2.038 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000061300763 521941730 /nfs/dbraw/zinc/94/17/30/521941730.db2.gz UHIXPRJOYGDCOS-UHFFFAOYSA-N 0 3 278.352 2.188 10 0 CEAEHN COCC[C@H](N)c1nc(-c2ccc(OC)cc2)c[nH]1 ZINC000052811279 521950919 /nfs/dbraw/zinc/95/09/19/521950919.db2.gz VMKFEGMGESWRFP-LBPRGKRZSA-N 0 3 261.325 2.122 10 0 CEAEHN COCC[C@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000052785245 521950950 /nfs/dbraw/zinc/95/09/50/521950950.db2.gz QVIPCIWWZJAHJJ-QMMMGPOBSA-N 0 3 284.157 2.362 10 0 CEAEHN COCC[C@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000052785245 521950959 /nfs/dbraw/zinc/95/09/59/521950959.db2.gz QVIPCIWWZJAHJJ-QMMMGPOBSA-N 0 3 284.157 2.362 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC000184502350 522102291 /nfs/dbraw/zinc/10/22/91/522102291.db2.gz OVYZQNRCSDQMBP-QMMMGPOBSA-N 0 3 288.725 2.394 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547196 522369839 /nfs/dbraw/zinc/36/98/39/522369839.db2.gz BIXKEZSHUJBKNF-BREBYQMCSA-N 0 3 250.342 2.052 10 0 CEAEHN CCc1nc(N(C)Cc2ccncc2)sc1CN ZINC000054997751 522380363 /nfs/dbraw/zinc/38/03/63/522380363.db2.gz UWNZYRGLFHSCAC-UHFFFAOYSA-N 0 3 262.382 2.196 10 0 CEAEHN CN[C@@H](Cn1ccc(C)cc1=O)c1cc(C)ccc1OC ZINC000061909064 517977597 /nfs/dbraw/zinc/97/75/97/517977597.db2.gz NHZVQKACSJLPNW-HNNXBMFYSA-N 0 3 286.375 2.434 10 0 CEAEHN CC(C)(C)NCc1ccccc1O[C@H]1CCS(=O)(=O)C1 ZINC000062729330 518766034 /nfs/dbraw/zinc/76/60/34/518766034.db2.gz ARELVLMMMIFXDD-ZDUSSCGKSA-N 0 3 297.420 2.141 10 0 CEAEHN CC(C)(C)NCc1occc1CN1CCN(C2CC2)CC1 ZINC000052371423 518770309 /nfs/dbraw/zinc/77/03/09/518770309.db2.gz SAPNKKXDDDWMFK-UHFFFAOYSA-N 0 3 291.439 2.448 10 0 CEAEHN CC(C)(C)c1csc(NC(=O)c2cc[nH]c(=NN)c2)n1 ZINC000051095100 519088230 /nfs/dbraw/zinc/08/82/30/519088230.db2.gz PFPKPTZERZLDDN-UHFFFAOYSA-N 0 3 291.380 2.374 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N)cn1C1CC1 ZINC000049551056 519338111 /nfs/dbraw/zinc/33/81/11/519338111.db2.gz LTMUKYLGWLIKRJ-CYBMUJFWSA-N 0 3 292.427 2.111 10 0 CEAEHN CC(C)Cn1ccnc(NCCN2CCCCCC2)c1=O ZINC000061764462 519519394 /nfs/dbraw/zinc/51/93/94/519519394.db2.gz OWCNICBASWRJEA-UHFFFAOYSA-N 0 3 292.427 2.187 10 0 CEAEHN CC(C)CCN(C)Cc1cccnc1C(N)=S ZINC000061659831 519650571 /nfs/dbraw/zinc/65/05/71/519650571.db2.gz WZFDQFYKLZIKEG-UHFFFAOYSA-N 0 3 251.399 2.194 10 0 CEAEHN CC(C)CN1CCN(C[C@H]2C[C@@H](C)CCC2=O)CC1 ZINC000055081612 519726598 /nfs/dbraw/zinc/72/65/98/519726598.db2.gz PHYGCXVZMCNKFS-LSDHHAIUSA-N 0 3 266.429 2.265 10 0 CEAEHN CC(=O)Nc1ccccc1OCc1ccnc(CN)c1 ZINC000068751336 519751166 /nfs/dbraw/zinc/75/11/66/519751166.db2.gz POOUSKAPBHEORF-UHFFFAOYSA-N 0 3 271.320 2.078 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(N)c(F)cc1F ZINC000049551030 519775495 /nfs/dbraw/zinc/77/54/95/519775495.db2.gz DUWWBNHUNGTKJB-JTQLQIEISA-N 0 3 299.365 2.253 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1nc(N)ccc1Cl ZINC000050707867 519775842 /nfs/dbraw/zinc/77/58/42/519775842.db2.gz LRXUCVNITZXAJZ-JTQLQIEISA-N 0 3 298.818 2.023 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)Nc1ncccc1C(N)=S ZINC000049560083 519776291 /nfs/dbraw/zinc/77/62/91/519776291.db2.gz MQTRGACZIRVMJC-NSHDSACASA-N 0 3 280.441 2.104 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc(Cl)cc1N ZINC000049191854 519814416 /nfs/dbraw/zinc/81/44/16/519814416.db2.gz PUZIYDODWCORAV-ZDUSSCGKSA-N 0 3 283.803 2.238 10 0 CEAEHN CCCN1CCC(O)(c2ccc(OC)cc2OC)CC1 ZINC000055232482 519847714 /nfs/dbraw/zinc/84/77/14/519847714.db2.gz OKJPGMZACRBZJU-UHFFFAOYSA-N 0 3 279.380 2.397 10 0 CEAEHN CCCN1CCN(c2nc(C)c([C@@H](C)N)s2)CC1 ZINC000054863927 519860855 /nfs/dbraw/zinc/86/08/55/519860855.db2.gz XODZVCGEHMVLQA-SNVBAGLBSA-N 0 3 268.430 2.003 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(C)c(O)c1C ZINC000061292436 519906710 /nfs/dbraw/zinc/90/67/10/519906710.db2.gz ZPXDMEHHDXPRJV-UHFFFAOYSA-N 0 3 250.342 2.336 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000061292204 519908252 /nfs/dbraw/zinc/90/82/52/519908252.db2.gz RQJKMRYCZKECBS-UHFFFAOYSA-N 0 3 284.363 2.470 10 0 CEAEHN CCCNCc1cc(CN(CCOC)CCOC)oc1C ZINC000052571393 519944772 /nfs/dbraw/zinc/94/47/72/519944772.db2.gz XADOWUBASQWZMX-UHFFFAOYSA-N 0 3 298.427 2.182 10 0 CEAEHN CCCNCc1coc(CN(CC)CCOC)c1 ZINC000052542740 519964797 /nfs/dbraw/zinc/96/47/97/519964797.db2.gz YZJVJMAMFUOUGC-UHFFFAOYSA-N 0 3 254.374 2.248 10 0 CEAEHN CCCNCc1nccn1CCOc1ccccc1 ZINC000051005061 519968750 /nfs/dbraw/zinc/96/87/50/519968750.db2.gz KLEANGRUJZETDV-UHFFFAOYSA-N 0 3 259.353 2.462 10 0 CEAEHN CCCNCc1nccn1Cc1ccc(OC)cc1 ZINC000070143677 519968893 /nfs/dbraw/zinc/96/88/93/519968893.db2.gz ZYYBOMUAJHBMLP-UHFFFAOYSA-N 0 3 259.353 2.440 10 0 CEAEHN CCNCc1ccc(CN2C[C@@H](C)OC[C@@H]2CC)o1 ZINC000052570924 519994943 /nfs/dbraw/zinc/99/49/43/519994943.db2.gz MXGOEPWGLMIDQM-OLZOCXBDSA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1cccc(N(C)[C@@H]2CCSC2)n1 ZINC000051441925 520004213 /nfs/dbraw/zinc/00/42/13/520004213.db2.gz MKZOKSWUVJILJP-GFCCVEGCSA-N 0 3 251.399 2.133 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1F)[C@@H]1COCCO1 ZINC000055300778 520017957 /nfs/dbraw/zinc/01/79/57/520017957.db2.gz GSHLRRCFWMPAFN-GJZGRUSLSA-N 0 3 283.343 2.290 10 0 CEAEHN CCCN[C@@H](c1ccccc1)[C@@H](C)S(C)(=O)=O ZINC000054930504 520018526 /nfs/dbraw/zinc/01/85/26/520018526.db2.gz ILUQKVBKOSXEIR-DGCLKSJQSA-N 0 3 255.383 2.160 10 0 CEAEHN CCCN[C@@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702878 520023190 /nfs/dbraw/zinc/02/31/90/520023190.db2.gz YKWHKASWZBPRCJ-KGLIPLIRSA-N 0 3 267.394 2.381 10 0 CEAEHN CCCN[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000049647999 520024290 /nfs/dbraw/zinc/02/42/90/520024290.db2.gz VTGYULKQKJIBQF-LLVKDONJSA-N 0 3 254.280 2.070 10 0 CEAEHN CCCN[C@H](C)c1sc(CS(C)(=O)=O)nc1C ZINC000052789298 520067878 /nfs/dbraw/zinc/06/78/78/520067878.db2.gz WVBBOPWYPNVAKV-MRVPVSSYSA-N 0 3 276.427 2.057 10 0 CEAEHN CCCN[C@H](c1ccc(F)cc1F)[C@H]1COCCO1 ZINC000055300568 520090076 /nfs/dbraw/zinc/09/00/76/520090076.db2.gz BPFOXNJUJBRLCB-ZIAGYGMSSA-N 0 3 271.307 2.421 10 0 CEAEHN CCCN[C@H](c1ccc2c(c1)CCCO2)[C@H]1COCCO1 ZINC000055301028 520090562 /nfs/dbraw/zinc/09/05/62/520090562.db2.gz COJFPXGILKQQAP-IAGOWNOFSA-N 0 3 291.391 2.468 10 0 CEAEHN CCCN[C@H](c1ccc(OC)c(F)c1)[C@H]1COCCO1 ZINC000055300752 520091111 /nfs/dbraw/zinc/09/11/11/520091111.db2.gz TYDVZNGLUDXOHT-HUUCEWRRSA-N 0 3 283.343 2.290 10 0 CEAEHN CCCN[C@H]1COc2cc(O[C@H]3CCC[C@@H]3O)ccc21 ZINC000062805114 520098161 /nfs/dbraw/zinc/09/81/61/520098161.db2.gz ZRMXAJHIDJAGCY-KKUMJFAQSA-N 0 3 277.364 2.412 10 0 CEAEHN CCOC[C@@H](O)COc1cc(C)ccc1[C@@H](C)NC ZINC000069276305 520105965 /nfs/dbraw/zinc/10/59/65/520105965.db2.gz IIZGDSQMBQMPIW-CHWSQXEVSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCCCO1 ZINC000050962251 520111706 /nfs/dbraw/zinc/11/17/06/520111706.db2.gz CPTJJHCBMRGFEQ-HOCLYGCPSA-N 0 3 290.363 2.237 10 0 CEAEHN CCN[C@@H](c1ccc(OCC)cc1)[C@@H]1COCCO1 ZINC000055299921 520111795 /nfs/dbraw/zinc/11/17/95/520111795.db2.gz NOZZOCOKUIVTTG-GJZGRUSLSA-N 0 3 265.353 2.151 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1CCCCO1 ZINC000050962128 520112354 /nfs/dbraw/zinc/11/23/54/520112354.db2.gz TZMUTZUQRWOTHJ-HOCLYGCPSA-N 0 3 274.364 2.401 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1ccccc1OCC)C(N)=O ZINC000068655392 520147032 /nfs/dbraw/zinc/14/70/32/520147032.db2.gz HVMKCLHPHXUZKQ-LRDDRELGSA-N 0 3 294.395 2.096 10 0 CEAEHN CCN[C@@](CN1CCC(C)(C)CC1)(C(=O)OCC)C1CC1 ZINC000069232055 520152640 /nfs/dbraw/zinc/15/26/40/520152640.db2.gz IUTBTOOORVQFMB-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCN[C@@](COc1cccc(C(C)C)c1)(C(N)=O)C1CC1 ZINC000069197043 520158724 /nfs/dbraw/zinc/15/87/24/520158724.db2.gz VVCNKNJATKXQCD-QGZVFWFLSA-N 0 3 290.407 2.432 10 0 CEAEHN CCCNc1cccc(C(=O)N[C@@H]2CCCN(CC)C2)n1 ZINC000051071593 520173625 /nfs/dbraw/zinc/17/36/25/520173625.db2.gz SBAXCWWFMDLZKX-CYBMUJFWSA-N 0 3 290.411 2.118 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000050568909 520207699 /nfs/dbraw/zinc/20/76/99/520207699.db2.gz FKPVTAOJUSWADP-FZMZJTMJSA-N 0 3 285.384 2.219 10 0 CEAEHN CCN[C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCCO1 ZINC000050962044 520209923 /nfs/dbraw/zinc/20/99/23/520209923.db2.gz XMPGRSYTIQOFJD-UONOGXRCSA-N 0 3 275.352 2.076 10 0 CEAEHN CCN[C@H]1c2ccccc2CCC[C@H]1S(C)(=O)=O ZINC000054930337 520223106 /nfs/dbraw/zinc/22/31/06/520223106.db2.gz QLMIXNYIYVIREE-KGLIPLIRSA-N 0 3 267.394 2.087 10 0 CEAEHN CCNc1ccc(CN2CCCSCC2)cn1 ZINC000050817854 520300910 /nfs/dbraw/zinc/30/09/10/520300910.db2.gz OPDWBTVNOVTXEC-UHFFFAOYSA-N 0 3 251.399 2.452 10 0 CEAEHN CCN(CC(=O)NC(C)C)c1ccc(Cl)cc1CN ZINC000052857293 520325663 /nfs/dbraw/zinc/32/56/63/520325663.db2.gz ZDFVVXSEBFNRTC-UHFFFAOYSA-N 0 3 283.803 2.150 10 0 CEAEHN CCCOc1ccc(OC)cc1CNCCOC ZINC000062727690 520403786 /nfs/dbraw/zinc/40/37/86/520403786.db2.gz COVFKUXBYRMKSZ-UHFFFAOYSA-N 0 3 253.342 2.220 10 0 CEAEHN CCCOc1cccc([C@@H](N[C@H](C)CC)C(N)=O)c1 ZINC000052921491 520465693 /nfs/dbraw/zinc/46/56/93/520465693.db2.gz KVFJVCHQBLBFTH-BXUZGUMPSA-N 0 3 264.369 2.390 10 0 CEAEHN CCCC[NH+](CCCC)CC[C@H](NCC)C(=O)[O-] ZINC000062444452 520493999 /nfs/dbraw/zinc/49/39/99/520493999.db2.gz AFSJKKBJPMSJGD-ZDUSSCGKSA-N 0 3 258.406 2.341 10 0 CEAEHN CCOC(=O)CC(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000068813961 520589223 /nfs/dbraw/zinc/58/92/23/520589223.db2.gz OCGNIHPCIDTVNS-AAEUAGOBSA-N 0 3 255.358 2.019 10 0 CEAEHN CCC[C@@H](N[C@@H](C)C(=O)NC(=O)NC)c1cccs1 ZINC000049544523 520785449 /nfs/dbraw/zinc/78/54/49/520785449.db2.gz DGNXTUHJYJXUBS-VHSXEESVSA-N 0 3 283.397 2.023 10 0 CEAEHN CCC[C@@H](N[C@H](C)C(=O)N1CCOCC1)c1cccs1 ZINC000049544514 520791814 /nfs/dbraw/zinc/79/18/14/520791814.db2.gz ALQLMZOHNLJHAZ-CHWSQXEVSA-N 0 3 296.436 2.426 10 0 CEAEHN CCOC(=O)[C@@](C)(CN1CCCC(C)(C)C1)NC1CC1 ZINC000069516929 521147924 /nfs/dbraw/zinc/14/79/24/521147924.db2.gz ZNFWUPWUELBENX-MRXNPFEDSA-N 0 3 282.428 2.182 10 0 CEAEHN CCOc1ccc(OCc2cccnc2C(=N)N)cc1 ZINC000061658646 521180632 /nfs/dbraw/zinc/18/06/32/521180632.db2.gz ANMFIHSRGXIGCV-UHFFFAOYSA-N 0 3 271.320 2.343 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)NC ZINC000062746179 521217036 /nfs/dbraw/zinc/21/70/36/521217036.db2.gz RKWQTFITWSFCHS-UWVGGRQHSA-N 0 3 269.316 2.437 10 0 CEAEHN CCC(C)(C)[N@H+](C)CC[C@@](C)(NC(C)C)C(=O)[O-] ZINC000069443344 521304899 /nfs/dbraw/zinc/30/48/99/521304899.db2.gz VIHBXAWTINXMAP-CQSZACIVSA-N 0 3 258.406 2.338 10 0 CEAEHN CCC(C)(C)[N@@H+](C)CC[C@@](C)(NC(C)C)C(=O)[O-] ZINC000069443344 521304905 /nfs/dbraw/zinc/30/49/05/521304905.db2.gz VIHBXAWTINXMAP-CQSZACIVSA-N 0 3 258.406 2.338 10 0 CEAEHN CCC(C)(C)N(C)CC[C@@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000069443344 521304909 /nfs/dbraw/zinc/30/49/09/521304909.db2.gz VIHBXAWTINXMAP-CQSZACIVSA-N 0 3 258.406 2.338 10 0 CEAEHN CCOC(=O)[C@](CN(C)[C@@H](C)CC)(NC1CC1)C1CC1 ZINC000069096710 521339129 /nfs/dbraw/zinc/33/91/29/521339129.db2.gz YZSQHJCNBNZNAJ-BLLLJJGKSA-N 0 3 282.428 2.181 10 0 CEAEHN CCN(Cc1cccs1)Cc1cccnc1C(=N)N ZINC000061658181 521406583 /nfs/dbraw/zinc/40/65/83/521406583.db2.gz XHGFTCAIYKTWJV-UHFFFAOYSA-N 0 3 274.393 2.449 10 0 CEAEHN CCCN(C)C[C@@](NC(C)C)(C(=O)OCC)C1CC1 ZINC000069096956 521496112 /nfs/dbraw/zinc/49/61/12/521496112.db2.gz UJCOJKNWYWIUHJ-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCC(CC)NC(=O)[C@H](C)N[C@H](CC(C)C)CN(C)C ZINC000049555875 521591856 /nfs/dbraw/zinc/59/18/56/521591856.db2.gz NULYAWKTTYWYQS-DZGCQCFKSA-N 0 3 285.476 2.246 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=O)c1c[nH]c2ccccc12 ZINC000061655632 521832642 /nfs/dbraw/zinc/83/26/42/521832642.db2.gz YRERGSZHTPXRDV-LBPRGKRZSA-N 0 3 271.364 2.334 10 0 CEAEHN COCC[C@@H](N)c1nc2cc(Cl)ccc2n1C ZINC000052785235 521835275 /nfs/dbraw/zinc/83/52/75/521835275.db2.gz UMXSFZAGYISTSG-SECBINFHSA-N 0 3 253.733 2.263 10 0 CEAEHN CNC(C)(C)c1nnc2ccc(C(F)(F)F)cn21 ZINC000061151282 521947845 /nfs/dbraw/zinc/94/78/45/521947845.db2.gz SKPJDSQLZRQISE-UHFFFAOYSA-N 0 3 258.247 2.203 10 0 CEAEHN CNCc1c(C)nn([C@H]2CCCCC[C@@H]2O)c1C ZINC000054600444 522101004 /nfs/dbraw/zinc/10/10/04/522101004.db2.gz LXPBCCHCCCTAJL-KBPBESRZSA-N 0 3 251.374 2.085 10 0 CEAEHN CNCc1cc(CN(C)[C@H]2CCCC[C@@H]2C)on1 ZINC000052546714 522105037 /nfs/dbraw/zinc/10/50/37/522105037.db2.gz VQNVFQFBYUSYMQ-FZMZJTMJSA-N 0 3 251.374 2.405 10 0 CEAEHN COC(=O)c1ccccc1CNCCCSC ZINC000069432366 522263781 /nfs/dbraw/zinc/26/37/81/522263781.db2.gz QBOBEMIRRVYXGE-UHFFFAOYSA-N 0 3 253.367 2.316 10 0 CEAEHN CN[C@@H](c1ccc(Br)cc1)[C@@H]1COCCO1 ZINC000055299276 522367216 /nfs/dbraw/zinc/36/72/16/522367216.db2.gz GTYOVWRTJJAFCD-RYUDHWBXSA-N 0 3 286.169 2.125 10 0 CEAEHN CCc1nc(N2CCN(C3CCCC3)CC2)sc1CN ZINC000054998312 522384793 /nfs/dbraw/zinc/38/47/93/522384793.db2.gz ULOYMRYQMGTDNA-UHFFFAOYSA-N 0 3 294.468 2.229 10 0 CEAEHN CN[C@H](C)c1cnc(N2C[C@@H](C)OC(C)(C)C2)s1 ZINC000054908069 522453445 /nfs/dbraw/zinc/45/34/45/522453445.db2.gz ZYJRGBZCLQKDIX-NXEZZACHSA-N 0 3 269.414 2.427 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CC(=O)N2)[C@H]1CCCCO1 ZINC000050961587 522483043 /nfs/dbraw/zinc/48/30/43/522483043.db2.gz UBNVNHDTJPAGFW-UKRRQHHQSA-N 0 3 260.337 2.011 10 0 CEAEHN CN[C@](CSc1ccc(Cl)cc1)(C(N)=O)C1CC1 ZINC000069185404 522532026 /nfs/dbraw/zinc/53/20/26/522532026.db2.gz UHNRIKJUFKLSFZ-ZDUSSCGKSA-N 0 3 284.812 2.286 10 0 CEAEHN CNc1ccc(C(=O)NCCN(C)C)cc1C(F)(F)F ZINC000050725918 522588240 /nfs/dbraw/zinc/58/82/40/522588240.db2.gz UHHPRPMSTJECRC-UHFFFAOYSA-N 0 3 289.301 2.039 10 0 CEAEHN COc1cc(F)c([C@H](N)[C@@H]2CCCO2)cc1OC ZINC000061560742 522589324 /nfs/dbraw/zinc/58/93/24/522589324.db2.gz UTAAMRAMEIENKA-GWCFXTLKSA-N 0 3 255.289 2.022 10 0 CEAEHN CNc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000050777075 522595839 /nfs/dbraw/zinc/59/58/39/522595839.db2.gz WERSGHNEGJELON-OAHLLOKOSA-N 0 3 277.412 2.434 10 0 CEAEHN CC[C@H](NS(=O)(=O)c1cccc([C@@H](C)N)c1)C(C)C ZINC000049147324 522682802 /nfs/dbraw/zinc/68/28/02/522682802.db2.gz FHLFUJWLOCUYAI-RISCZKNCSA-N 0 3 284.425 2.419 10 0 CEAEHN CC[C@H](N[C@H](C)c1cccc(Br)c1)C(N)=O ZINC000061676814 522739398 /nfs/dbraw/zinc/73/93/98/522739398.db2.gz LIEPTAIIHDREQJ-KCJUWKMLSA-N 0 3 285.185 2.364 10 0 CEAEHN CC[C@@H](Oc1cc(OC)ccc1CNC(C)(C)C)C(N)=O ZINC000062733151 523038686 /nfs/dbraw/zinc/03/86/86/523038686.db2.gz SXVQXRLTMPZMSG-CYBMUJFWSA-N 0 3 294.395 2.226 10 0 CEAEHN COC(=O)CCN1CCC[C@H](c2nc(C)cs2)C1 ZINC000157803295 523072087 /nfs/dbraw/zinc/07/20/87/523072087.db2.gz ZLPIUGNIKTZGGR-NSHDSACASA-N 0 3 268.382 2.194 10 0 CEAEHN CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(CN)c1 ZINC000049120908 523198448 /nfs/dbraw/zinc/19/84/48/523198448.db2.gz SGPAZWUYOYEKLQ-HIFRSBDPSA-N 0 3 296.436 2.392 10 0 CEAEHN CC[C@H]1CN(c2nc(C)c(CNC3CC3)s2)CCO1 ZINC000054997393 523308807 /nfs/dbraw/zinc/30/88/07/523308807.db2.gz BZOGZOYDYOVOCY-LBPRGKRZSA-N 0 3 281.425 2.319 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1ccc(F)cc1C ZINC000050578639 523336750 /nfs/dbraw/zinc/33/67/50/523336750.db2.gz UPANCNNJEBXUJU-ZFWWWQNUSA-N 0 3 266.360 2.245 10 0 CEAEHN CN(Cc1ccnc(C(=N)N)c1)c1cccc(F)c1 ZINC000068761797 523452489 /nfs/dbraw/zinc/45/24/89/523452489.db2.gz NVJWTBYYEHSGJX-UHFFFAOYSA-N 0 3 258.300 2.141 10 0 CEAEHN CC[C@@H]1COCCN1Cc1occc1CNC(C)C ZINC000052481431 523502060 /nfs/dbraw/zinc/50/20/60/523502060.db2.gz KWCJYMNCUACQJN-CQSZACIVSA-N 0 3 266.385 2.388 10 0 CEAEHN CC[C@@H]1COCCN1Cc1ccoc1CNC(C)C ZINC000052481485 523502189 /nfs/dbraw/zinc/50/21/89/523502189.db2.gz ZSQTVPXIXVHUMJ-CQSZACIVSA-N 0 3 266.385 2.388 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1[C@@H](CN)c1ccc(OC)cc1 ZINC000048914412 523508270 /nfs/dbraw/zinc/50/82/70/523508270.db2.gz GNMYIUZHDKGITQ-BJJXKVORSA-N 0 3 278.396 2.194 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1ccccc1CNCCOC ZINC000062736915 523510530 /nfs/dbraw/zinc/51/05/30/523510530.db2.gz NELZEVQCTAYROB-GOEBONIOSA-N 0 3 292.423 2.426 10 0 CEAEHN CCn1ccnc1NCCc1ccc2c(c1)OCCO2 ZINC000050608294 523549279 /nfs/dbraw/zinc/54/92/79/523549279.db2.gz YEGUZDSUSOKUPP-UHFFFAOYSA-N 0 3 273.336 2.329 10 0 CEAEHN COc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c([O-])c1 ZINC000049560323 523721925 /nfs/dbraw/zinc/72/19/25/523721925.db2.gz JBIDXALKXYFEGP-LBPRGKRZSA-N 0 3 294.395 2.107 10 0 CEAEHN COc1ccc(C(=O)[C@@H](C)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061645623 523776446 /nfs/dbraw/zinc/77/64/46/523776446.db2.gz RGRCYULNMGUIKF-UKRRQHHQSA-N 0 3 290.407 2.292 10 0 CEAEHN CN1CCCC[C@@H]1CNC(=O)c1cccc2c1NCCC2 ZINC000050958108 523795301 /nfs/dbraw/zinc/79/53/01/523795301.db2.gz BNFCFQOPXFNERV-CQSZACIVSA-N 0 3 287.407 2.259 10 0 CEAEHN CN1CCCN(Cc2nc3sccc3c(Cl)n2)CC1 ZINC000050839875 523810086 /nfs/dbraw/zinc/81/00/86/523810086.db2.gz HSTNXLWGNVPJEH-UHFFFAOYSA-N 0 3 296.827 2.482 10 0 CEAEHN COCCNC[C@](C)(O)c1ccccc1C(F)(F)F ZINC000055033602 523946424 /nfs/dbraw/zinc/94/64/24/523946424.db2.gz MYMAABRGQJYACL-LBPRGKRZSA-N 0 3 277.286 2.149 10 0 CEAEHN COCCNCc1c(C)nn(C2CCCC2)c1C ZINC000054717649 523947053 /nfs/dbraw/zinc/94/70/53/523947053.db2.gz NYXBMVNKAZKQAT-UHFFFAOYSA-N 0 3 251.374 2.351 10 0 CEAEHN COCCNCc1cc(F)ccc1-n1cc(C)cn1 ZINC000062738651 523950152 /nfs/dbraw/zinc/95/01/52/523950152.db2.gz XPKMIOGXEJCMJJ-UHFFFAOYSA-N 0 3 263.316 2.056 10 0 CEAEHN CN1CC[C@@H](n2c3ccc(N)cc3nc2C2CC2)C1 ZINC000052854688 523969892 /nfs/dbraw/zinc/96/98/92/523969892.db2.gz RESHSLULGDEVNA-GFCCVEGCSA-N 0 3 256.353 2.373 10 0 CEAEHN CNC(=O)[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000049095996 524080835 /nfs/dbraw/zinc/08/08/35/524080835.db2.gz JXFPPBIKTOUXSW-RKDXNWHRSA-N 0 3 272.295 2.073 10 0 CEAEHN Cc1ccc(C)c(OCC[C@@H](NC(C)C)C(N)=O)c1C ZINC000062594477 524180588 /nfs/dbraw/zinc/18/05/88/524180588.db2.gz BYOWRCJVKOMYEG-CQSZACIVSA-N 0 3 278.396 2.233 10 0 CEAEHN C[C@H](CN1CCCC1)NCC(=O)Nc1cccc(Cl)c1 ZINC000049180345 524316545 /nfs/dbraw/zinc/31/65/45/524316545.db2.gz ZOWYPQSTLSXHDY-GFCCVEGCSA-N 0 3 295.814 2.352 10 0 CEAEHN C[C@H](CN1CCCC1)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000049180486 524319725 /nfs/dbraw/zinc/31/97/25/524319725.db2.gz BGFWAGGRYGTDNR-KGLIPLIRSA-N 0 3 275.396 2.088 10 0 CEAEHN C[C@H](CN1CCCCC1)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000049501962 524333828 /nfs/dbraw/zinc/33/38/28/524333828.db2.gz ABRHQRRHLZTMNQ-CABCVRRESA-N 0 3 289.423 2.478 10 0 CEAEHN Cc1ccc(CN)cc1N1C(=O)Cc2ccccc2C1=O ZINC000050430516 524424608 /nfs/dbraw/zinc/42/46/08/524424608.db2.gz FJHXLWJYWBQDKK-UHFFFAOYSA-N 0 3 280.327 2.183 10 0 CEAEHN COc1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000061610521 524589157 /nfs/dbraw/zinc/58/91/57/524589157.db2.gz KXXBFVGRDXQAEC-HNNXBMFYSA-N 0 3 270.332 2.376 10 0 CEAEHN COc1ccc(NC(=O)[C@H]2NCCC[C@H]2C)c(C)c1 ZINC000061568490 524618766 /nfs/dbraw/zinc/61/87/66/524618766.db2.gz GWHYXNKJWRKSNU-YGRLFVJLSA-N 0 3 262.353 2.330 10 0 CEAEHN C[C@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@H+](CC1CC1)C1CC1 ZINC000068648297 524654106 /nfs/dbraw/zinc/65/41/06/524654106.db2.gz ATDIXFBMTICUTL-BZNIZROVSA-N 0 3 280.412 2.235 10 0 CEAEHN C[C@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@@H+](CC1CC1)C1CC1 ZINC000068648297 524654116 /nfs/dbraw/zinc/65/41/16/524654116.db2.gz ATDIXFBMTICUTL-BZNIZROVSA-N 0 3 280.412 2.235 10 0 CEAEHN Cc1cccc(NC(=O)c2ccnc(NN)c2)c1C ZINC000051121536 524665062 /nfs/dbraw/zinc/66/50/62/524665062.db2.gz SLFYMXYSPBNFSY-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN Cc1cccc(NC(=O)c2cc[nH]c(=NN)c2)c1C ZINC000051121536 524665070 /nfs/dbraw/zinc/66/50/70/524665070.db2.gz SLFYMXYSPBNFSY-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN C[C@H]1CN(c2nc(C3CC3)c(CN)s2)CCCO1 ZINC000069182157 524676428 /nfs/dbraw/zinc/67/64/28/524676428.db2.gz IVCZFDUXMSCAAW-VIFPVBQESA-N 0 3 267.398 2.094 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000069133485 524696163 /nfs/dbraw/zinc/69/61/63/524696163.db2.gz WNJUCSLFGHWXMJ-HOGDBLQHSA-N 0 3 291.439 2.347 10 0 CEAEHN COc1ccccc1SCC[C@H](NC(C)C)C(N)=O ZINC000062601907 524707945 /nfs/dbraw/zinc/70/79/45/524707945.db2.gz VRANQOZAQVIUIT-NSHDSACASA-N 0 3 282.409 2.029 10 0 CEAEHN Cc1cc(CNC(C)C)nc(Cc2ccncc2)n1 ZINC000054831712 524750296 /nfs/dbraw/zinc/75/02/96/524750296.db2.gz IUJBIKRURAMBIR-UHFFFAOYSA-N 0 3 256.353 2.269 10 0 CEAEHN COc1ccsc1C(=O)NC[C@H](N)c1ccccc1 ZINC000161682794 524874163 /nfs/dbraw/zinc/87/41/63/524874163.db2.gz GMFYBTSZUKWAOR-NSHDSACASA-N 0 3 276.361 2.187 10 0 CEAEHN COc1ccc(OCCN2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000062670509 524956645 /nfs/dbraw/zinc/95/66/45/524956645.db2.gz DJWXWGLOWQSNHM-PBWFPOADSA-N 0 3 277.364 2.062 10 0 CEAEHN COc1nc2sccn2c1CNC[C@H](C)CSC ZINC000069438010 524989554 /nfs/dbraw/zinc/98/95/54/524989554.db2.gz WEJDZXCOENUQQP-VIFPVBQESA-N 0 3 285.438 2.493 10 0 CEAEHN Cc1cc(N2CCN(CC(C)C)CC2)ccc1CO ZINC000055080049 525079592 /nfs/dbraw/zinc/07/95/92/525079592.db2.gz XKNXXAKVQZTBBI-UHFFFAOYSA-N 0 3 262.397 2.265 10 0 CEAEHN C[C@H](NC(=O)[C@H](CN)c1ccccc1)c1cccc(O)c1 ZINC000061611636 525165923 /nfs/dbraw/zinc/16/59/23/525165923.db2.gz PVVKBJLVINEWHF-BLLLJJGKSA-N 0 3 284.359 2.312 10 0 CEAEHN Cc1ccccc1CSCC[C@H](NC(C)C)C(N)=O ZINC000062603961 525183921 /nfs/dbraw/zinc/18/39/21/525183921.db2.gz MTGQSUGQVOVEJE-AWEZNQCLSA-N 0 3 280.437 2.470 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccsc1 ZINC000061366133 525264315 /nfs/dbraw/zinc/26/43/15/525264315.db2.gz SOFZMTOLWIDELJ-YGRLFVJLSA-N 0 3 290.388 2.201 10 0 CEAEHN Cc1ccc(OCCN(C)C[C@@H](O)COC(C)(C)C)cc1 ZINC000052816466 525418769 /nfs/dbraw/zinc/41/87/69/525418769.db2.gz RDCZHYJHOVEJLM-OAHLLOKOSA-N 0 3 295.423 2.482 10 0 CEAEHN Cc1ccc(OC[C@](NC(C)C)(C(N)=O)C2CC2)cc1 ZINC000069196048 525442850 /nfs/dbraw/zinc/44/28/50/525442850.db2.gz WJJHFADVZSYBCV-MRXNPFEDSA-N 0 3 276.380 2.006 10 0 CEAEHN CSCCCN[C@H](C)C(=O)Nc1ccccc1 ZINC000069447151 525481892 /nfs/dbraw/zinc/48/18/92/525481892.db2.gz MZLORZWZPAQHTB-LLVKDONJSA-N 0 3 252.383 2.356 10 0 CEAEHN Cc1cc([C@@H](NC2CCCC2)C(N)=O)ccc1F ZINC000050558972 525483172 /nfs/dbraw/zinc/48/31/72/525483172.db2.gz FINGHTTUYBXPFT-CYBMUJFWSA-N 0 3 250.317 2.193 10 0 CEAEHN C[C@@H]1[C@@H](C)CCCN1c1nc2sccn2c1CN ZINC000050566070 525644167 /nfs/dbraw/zinc/64/41/67/525644167.db2.gz IPSKHDUYTJUGEJ-VHSXEESVSA-N 0 3 264.398 2.479 10 0 CEAEHN Cc1cnc(NC(=O)[C@@H](CN)c2ccccc2)s1 ZINC000061610834 526084045 /nfs/dbraw/zinc/08/40/45/526084045.db2.gz SRWOPGOCLAQIAU-NSHDSACASA-N 0 3 261.350 2.133 10 0 CEAEHN C[C@H](c1cccs1)N(C)CCn1cc(N)cn1 ZINC000050614824 526152882 /nfs/dbraw/zinc/15/28/82/526152882.db2.gz NFVFMZOCTVKFOE-SNVBAGLBSA-N 0 3 250.371 2.220 10 0 CEAEHN Cc1nn([C@H](CN)c2ccccn2)c(C)c1Cl ZINC000050585986 526306299 /nfs/dbraw/zinc/30/62/99/526306299.db2.gz FYAARRKMEODVEH-LLVKDONJSA-N 0 3 250.733 2.096 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1cncc(Br)c1 ZINC000160584960 526308164 /nfs/dbraw/zinc/30/81/64/526308164.db2.gz INEDANAIOJFMHM-JQWIXIFHSA-N 0 3 285.185 2.095 10 0 CEAEHN Cc1csc(Cc2nc3c(s2)CNCC3)n1 ZINC000055269902 526369646 /nfs/dbraw/zinc/36/96/46/526369646.db2.gz INCKCQGBHMBPJM-UHFFFAOYSA-N 0 3 251.380 2.145 10 0 CEAEHN CNCc1c(Cl)cccc1N1CCOC[C@@H]1C ZINC000035777846 536469084 /nfs/dbraw/zinc/46/90/84/536469084.db2.gz ZVLINSDVPYUPMF-JTQLQIEISA-N 0 3 254.761 2.285 10 0 CEAEHN Cc1nc(C)n(Cc2cc(CNC(C)(C)C)co2)n1 ZINC000052574438 526763864 /nfs/dbraw/zinc/76/38/64/526763864.db2.gz OHSBBHGRQUQTMY-UHFFFAOYSA-N 0 3 262.357 2.424 10 0 CEAEHN N=C(N)c1ncccc1COc1cccc2cccnc21 ZINC000061658695 526825709 /nfs/dbraw/zinc/82/57/09/526825709.db2.gz AAPPINBNDWSHPY-UHFFFAOYSA-N 0 3 278.315 2.493 10 0 CEAEHN Cc1nc(N(C)C[C@@H]2CCCO2)sc1[C@@H](C)N ZINC000054897360 526950287 /nfs/dbraw/zinc/95/02/87/526950287.db2.gz GDNSNZQRVNNVFI-SCZZXKLOSA-N 0 3 255.387 2.086 10 0 CEAEHN NC(=O)[C@](CSC1CCCCC1)(NC1CC1)C1CC1 ZINC000069188462 527016454 /nfs/dbraw/zinc/01/64/54/527016454.db2.gz UZLUKCIMFASDOC-OAHLLOKOSA-N 0 3 282.453 2.438 10 0 CEAEHN Cc1nc2ccccc2n1Cc1cccnc1C(=N)N ZINC000061658443 527171701 /nfs/dbraw/zinc/17/17/01/527171701.db2.gz UXCVOOHDUYKCLW-UHFFFAOYSA-N 0 3 265.320 2.072 10 0 CEAEHN NC[C@@H](C(=O)Nc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000061611783 527202468 /nfs/dbraw/zinc/20/24/68/527202468.db2.gz JNPGNMIZLAVNOF-CQSZACIVSA-N 0 3 280.331 2.244 10 0 CEAEHN NC[C@H](Oc1cc(F)cc(F)c1)c1ccccn1 ZINC000054932248 527228594 /nfs/dbraw/zinc/22/85/94/527228594.db2.gz PNTVOHYECTVYBO-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN NCc1cc(N2CCC[C@@H]2c2ccncc2)ccn1 ZINC000061811584 527248496 /nfs/dbraw/zinc/24/84/96/527248496.db2.gz SWVGBJLRQZCKPW-OAHLLOKOSA-N 0 3 254.337 2.277 10 0 CEAEHN NCc1cccc(Br)c1OCc1ncccn1 ZINC000054458511 527259084 /nfs/dbraw/zinc/25/90/84/527259084.db2.gz JSTLHVIXGKPPPG-UHFFFAOYSA-N 0 3 294.152 2.277 10 0 CEAEHN O=S1(=O)CC[C@@H](NC2CCC2)c2ccccc21 ZINC000052208168 527309601 /nfs/dbraw/zinc/30/96/01/527309601.db2.gz DDYPBGSEIBZXEI-GFCCVEGCSA-N 0 3 251.351 2.047 10 0 CEAEHN N[C@@H]1COc2cc(OCC(=O)Nc3ccccc3)ccc21 ZINC000062803954 527376446 /nfs/dbraw/zinc/37/64/46/527376446.db2.gz GYENLTXCTFKVMS-CQSZACIVSA-N 0 3 284.315 2.096 10 0 CEAEHN Nc1ccc(CN2CCN(C3CCCC3)CC2)c(F)c1 ZINC000069400428 527481917 /nfs/dbraw/zinc/48/19/17/527481917.db2.gz ZPSAUBDICILEGI-UHFFFAOYSA-N 0 3 277.387 2.468 10 0 CEAEHN FC(F)(F)CO[C@@H]1CCC[C@@H](NCc2cnccn2)C1 ZINC000054766387 527672187 /nfs/dbraw/zinc/67/21/87/527672187.db2.gz SKERBUGKCTUALI-ZYHUDNBSSA-N 0 3 289.301 2.456 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1noc(C(C)(C)C)n1 ZINC000175353192 529069200 /nfs/dbraw/zinc/06/92/00/529069200.db2.gz DKZNDYGSFGWQFL-GFCCVEGCSA-N 0 3 280.416 2.283 10 0 CEAEHN FC(F)(F)[C@H]1CCC[C@]2(C1)NCC1(COC1)CO2 ZINC000757145927 574510394 /nfs/dbraw/zinc/51/03/94/574510394.db2.gz QSFQFOKJMIQIKN-ONGXEEELSA-N 0 3 265.275 2.072 10 0 CEAEHN CC(C)(C)C[C@@H](N)CS(=O)(=O)N1CCC(C)(C)CC1 ZINC000757150719 574510768 /nfs/dbraw/zinc/51/07/68/574510768.db2.gz IALKBXOMZLHAGY-GFCCVEGCSA-N 0 3 290.473 2.202 10 0 CEAEHN CCN(C)[S@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675073781 574511372 /nfs/dbraw/zinc/51/13/72/574511372.db2.gz BDWUISVUBWFKMA-QGZVFWFLSA-N 0 3 253.371 2.125 10 0 CEAEHN CCCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1CCCO ZINC000052761909 625902279 /nfs/dbraw/zinc/90/22/79/625902279.db2.gz IKNDWEKAEKDWDZ-HUUCEWRRSA-N 0 3 284.444 2.308 10 0 CEAEHN CCN1CCC[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193392236 628475798 /nfs/dbraw/zinc/47/57/98/628475798.db2.gz QQVXFBNBCDAFBT-LLVKDONJSA-N 0 3 264.329 2.073 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1ccc(SC)cc1 ZINC000236881771 628724468 /nfs/dbraw/zinc/72/44/68/628724468.db2.gz CKHGNFCZYQRXJV-LBPRGKRZSA-N 0 3 252.383 2.152 10 0 CEAEHN COC(=O)[C@H]1CN(Cc2ccccc2F)C[C@H]1C ZINC000094996840 628888543 /nfs/dbraw/zinc/88/85/43/628888543.db2.gz WPUFYUHVKRNOQJ-PWSUYJOCSA-N 0 3 251.301 2.067 10 0 CEAEHN Cc1cc(NC(=O)[C@H](N)CC(C)C)cnc1Cl ZINC000226354086 628903356 /nfs/dbraw/zinc/90/33/56/628903356.db2.gz ZMOXSNPWUIKGQM-SNVBAGLBSA-N 0 3 255.749 2.355 10 0 CEAEHN CCc1nc[nH]c1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000905420960 636268319 /nfs/dbraw/zinc/26/83/19/636268319.db2.gz ZSQZEHVQMMIQJR-CQSZACIVSA-N 0 3 286.379 2.005 10 0 CEAEHN COc1cc(-c2noc([C@@H]3CCCN3)n2)ccc1F ZINC000211989353 651929781 /nfs/dbraw/zinc/92/97/81/651929781.db2.gz WYJBWEGUTIOGKA-JTQLQIEISA-N 0 3 263.272 2.309 10 0 CEAEHN COCc1nc(CSC)sc1CNC1CC1 ZINC000082445770 178022427 /nfs/dbraw/zinc/02/24/27/178022427.db2.gz RFEIVLOBKRUOPE-UHFFFAOYSA-N 0 3 258.412 2.405 10 0 CEAEHN CCNCc1sc([C@H]2CCCO2)nc1COC ZINC000082446099 178023090 /nfs/dbraw/zinc/02/30/90/178023090.db2.gz GDGJMMSQGDBEAM-SNVBAGLBSA-N 0 3 256.371 2.251 10 0 CEAEHN CN(C)Cc1c[nH]c2nc(Br)ccc12 ZINC000095937255 185034234 /nfs/dbraw/zinc/03/42/34/185034234.db2.gz PTVGZLAJFQAVFI-UHFFFAOYSA-N 0 3 254.131 2.387 10 0 CEAEHN COC(=O)C[C@H](N)c1ccc(-c2ccsc2)nc1 ZINC000034398842 361789328 /nfs/dbraw/zinc/78/93/28/361789328.db2.gz FKZSRFCVUBVRQN-NSHDSACASA-N 0 3 262.334 2.373 10 0 CEAEHN C[S@@](=O)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000082755574 178278588 /nfs/dbraw/zinc/27/85/88/178278588.db2.gz HYCWZCBZCYHBHZ-FVMDXXJSSA-N 0 3 251.273 2.084 10 0 CEAEHN CCC[C@H](C(=O)NCc1nc(C)c(C)s1)N(C)C ZINC000125015333 187165629 /nfs/dbraw/zinc/16/56/29/187165629.db2.gz FPWQZMDXONWIOD-LLVKDONJSA-N 0 3 269.414 2.106 10 0 CEAEHN CC[C@](C)(O)CN1CCN(c2ccccc2C)CC1 ZINC000123279481 365637723 /nfs/dbraw/zinc/63/77/23/365637723.db2.gz KHFQAOMVTMNZNJ-INIZCTEOSA-N 0 3 262.397 2.278 10 0 CEAEHN CN[C@H](c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000082998676 178333378 /nfs/dbraw/zinc/33/33/78/178333378.db2.gz HAYAOPNIWFZNSN-XVKPBYJWSA-N 0 3 279.814 2.097 10 0 CEAEHN C[C@H]1CO[C@H](c2ccccc2Br)CN1 ZINC000036673407 361850502 /nfs/dbraw/zinc/85/05/02/361850502.db2.gz HIMIAVYXAVUXDB-KWQFWETISA-N 0 3 256.143 2.499 10 0 CEAEHN O=c1c(CNC[C@H]2CCCO2)cc2cccc3c2n1CCC3 ZINC000039287258 361988008 /nfs/dbraw/zinc/98/80/08/361988008.db2.gz YJNDESHQFLBZSC-MRXNPFEDSA-N 0 3 298.386 2.216 10 0 CEAEHN C[C@H](NC(=O)CNC1CC1)c1ccc(Cl)cc1 ZINC000040415369 361991941 /nfs/dbraw/zinc/99/19/41/361991941.db2.gz ZYXHYYOGAUBKFO-VIFPVBQESA-N 0 3 252.745 2.269 10 0 CEAEHN CCC[C@H](N)C(=O)NCCc1ccc(OC(F)F)cc1 ZINC000040832828 362003143 /nfs/dbraw/zinc/00/31/43/362003143.db2.gz QDPZPFXBLTUMKH-LBPRGKRZSA-N 0 3 286.322 2.074 10 0 CEAEHN Cc1cc(CNC[C@H]2CCC(=O)N2)ccc1Br ZINC000073852726 539167252 /nfs/dbraw/zinc/16/72/52/539167252.db2.gz OQGYEYDPSFPWMS-LLVKDONJSA-N 0 3 297.196 2.126 10 0 CEAEHN N[C@@H]1C[C@@]12CNc1c2cc(Cl)cc1Br ZINC000725247598 539192168 /nfs/dbraw/zinc/19/21/68/539192168.db2.gz RTGMZZRVFJYVHT-SCZZXKLOSA-N 0 3 273.561 2.497 10 0 CEAEHN C[C@@H](O)CN(C)[C@H](C)c1cnn(CC2CCC2)c1 ZINC000725264119 539212448 /nfs/dbraw/zinc/21/24/48/539212448.db2.gz DBFUTZLCJMNTJC-VXGBXAGGSA-N 0 3 251.374 2.057 10 0 CEAEHN Cc1sc([C@H]2CCCN2)nc1C(=O)NC(C)C ZINC000725264474 539212929 /nfs/dbraw/zinc/21/29/29/539212929.db2.gz PPPRGBAJYKVYGZ-SECBINFHSA-N 0 3 253.371 2.014 10 0 CEAEHN CCC[C@@H](C(=O)NCC(C)(C)c1ccncc1)N(C)C ZINC000091859858 539228430 /nfs/dbraw/zinc/22/84/30/539228430.db2.gz OQIMSGYPNSUHOF-AWEZNQCLSA-N 0 3 277.412 2.206 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(Cl)cc2C)C1 ZINC000231747126 539232406 /nfs/dbraw/zinc/23/24/06/539232406.db2.gz UBMUXOFACSHEFR-OAHLLOKOSA-N 0 3 282.815 2.459 10 0 CEAEHN O[C@H](COCc1ccccc1)CN1CC[C@@H](C(F)F)C1 ZINC000677730373 539260334 /nfs/dbraw/zinc/26/03/34/539260334.db2.gz IBKLUGXXVJSHSW-KGLIPLIRSA-N 0 3 285.334 2.151 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc2[nH]cnc2c1 ZINC000040834934 362005858 /nfs/dbraw/zinc/00/58/58/362005858.db2.gz AUKNEFYVKMJJIO-CYBMUJFWSA-N 0 3 288.395 2.269 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCOCC1)c1ccc(Cl)cc1 ZINC000127870007 187337899 /nfs/dbraw/zinc/33/78/99/187337899.db2.gz YYAOJKVQGSGZTD-JTQLQIEISA-N 0 3 282.771 2.025 10 0 CEAEHN COC(CNCCCc1cc(F)cc(F)c1)OC ZINC000034475001 343419989 /nfs/dbraw/zinc/41/99/89/343419989.db2.gz WPYLQRMMKDKISI-UHFFFAOYSA-N 0 3 259.296 2.106 10 0 CEAEHN c1cncc(-c2ccc([C@@]34CCN(C3)CCC4)nn2)c1 ZINC000034872950 343420800 /nfs/dbraw/zinc/42/08/00/343420800.db2.gz AWTRYKNCQRAEHP-INIZCTEOSA-N 0 3 266.348 2.276 10 0 CEAEHN C[C@H](O)CCCN1CCC(c2nccs2)CC1 ZINC000336704578 365769490 /nfs/dbraw/zinc/76/94/90/365769490.db2.gz KWQPIOIXFMDFTF-NSHDSACASA-N 0 3 254.399 2.484 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)CSCC(F)(F)F)C1 ZINC000128225386 365780846 /nfs/dbraw/zinc/78/08/46/365780846.db2.gz KFMJHOPPGQYFAV-ZJUUUORDSA-N 0 3 298.374 2.127 10 0 CEAEHN Cc1ccc([C@@H](N)CN2C(=O)c3ccccc3C2=O)s1 ZINC000059113083 343652426 /nfs/dbraw/zinc/65/24/26/343652426.db2.gz MZLPXZNLTJRJBZ-LBPRGKRZSA-N 0 3 286.356 2.353 10 0 CEAEHN COc1c(CNC[C@H]2Cc3ccccc32)c(C)nn1C ZINC000105444453 344256755 /nfs/dbraw/zinc/25/67/55/344256755.db2.gz PPLUMMFIUVDMLA-CYBMUJFWSA-N 0 3 271.364 2.167 10 0 CEAEHN NCc1c(Br)scc1[C@@H]1CCOC1 ZINC000132821958 344365890 /nfs/dbraw/zinc/36/58/90/344365890.db2.gz PGXGUDBRMBZARC-ZCFIWIBFSA-N 0 3 262.172 2.473 10 0 CEAEHN Cc1ccc([C@H](CN)N(C)C)c(Br)c1 ZINC000129633246 344345633 /nfs/dbraw/zinc/34/56/33/344345633.db2.gz ORCYAGQIPSLZIJ-NSHDSACASA-N 0 3 257.175 2.319 10 0 CEAEHN Cc1cccc(NC(=O)[C@H](C)N)c1Br ZINC000131353896 344357283 /nfs/dbraw/zinc/35/72/83/344357283.db2.gz CJYGWJZPRZLWIZ-ZETCQYMHSA-N 0 3 257.131 2.043 10 0 CEAEHN Cc1occc1CN(C)C(=O)[C@]1(C)CCCCN1 ZINC000133372334 344368457 /nfs/dbraw/zinc/36/84/57/344368457.db2.gz JPRTYSKWLYIYDM-AWEZNQCLSA-N 0 3 250.342 2.079 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(OC(C)C)cc2)C1 ZINC000134434971 344374220 /nfs/dbraw/zinc/37/42/20/344374220.db2.gz BQFCJEOSSGZPCX-KRWDZBQOSA-N 0 3 292.423 2.284 10 0 CEAEHN Cc1ccc(Br)c(NC(=O)[C@H](C)N)c1 ZINC000134864869 344378046 /nfs/dbraw/zinc/37/80/46/344378046.db2.gz VFVGWIWFIZKPRQ-ZETCQYMHSA-N 0 3 257.131 2.043 10 0 CEAEHN OCC1(N2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000141359075 344400760 /nfs/dbraw/zinc/40/07/60/344400760.db2.gz RZVGGPJWODMUJR-UHFFFAOYSA-N 0 3 274.408 2.109 10 0 CEAEHN C[C@@H]1CS[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000159143956 344453774 /nfs/dbraw/zinc/45/37/74/344453774.db2.gz XIQIMXQZEIXMSI-ZWNOBZJWSA-N 0 3 272.414 2.439 10 0 CEAEHN NCc1cn(Cc2cc(Br)cs2)cn1 ZINC000236229458 344594992 /nfs/dbraw/zinc/59/49/92/344594992.db2.gz OADBLFYONYLVMQ-UHFFFAOYSA-N 0 3 272.171 2.214 10 0 CEAEHN CC(C)(C[C@H](N)c1ccc(Br)s1)C(N)=O ZINC000083686125 178686756 /nfs/dbraw/zinc/68/67/56/178686756.db2.gz JFFUYYLNNMBRTR-LURJTMIESA-N 0 3 291.214 2.412 10 0 CEAEHN COC(=O)c1csc(CN[C@H](C)[C@H]2CCCO2)c1 ZINC000602510022 347061999 /nfs/dbraw/zinc/06/19/99/347061999.db2.gz IJZCSIIFGHGRBV-BXKDBHETSA-N 0 3 269.366 2.192 10 0 CEAEHN C[C@@H]([C@@H](N)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000307144019 344720629 /nfs/dbraw/zinc/72/06/29/344720629.db2.gz LKTXRDJQQSLQOD-XHDPSFHLSA-N 0 3 280.327 2.371 10 0 CEAEHN CCNCc1sccc1I ZINC000306229070 344712452 /nfs/dbraw/zinc/71/24/52/344712452.db2.gz IPDXGHSBDCIELP-UHFFFAOYSA-N 0 3 267.135 2.462 10 0 CEAEHN C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)NCCS2 ZINC000401678270 344869105 /nfs/dbraw/zinc/86/91/05/344869105.db2.gz FJLGRUPBJUJJFO-ZWNOBZJWSA-N 0 3 272.414 2.296 10 0 CEAEHN CCCN[C@@H](C[S@@](=O)CCOC)c1ccccc1 ZINC000084035440 178775424 /nfs/dbraw/zinc/77/54/24/178775424.db2.gz WJADHZAATZZJSS-KBXCAEBGSA-N 0 3 269.410 2.122 10 0 CEAEHN CC[C@@H](C)N[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000584605108 344963573 /nfs/dbraw/zinc/96/35/73/344963573.db2.gz BNZHZYBYIUOPJY-MNOVXSKESA-N 0 3 298.408 2.017 10 0 CEAEHN CN(C)C[C@@H]1COc2ccccc2[C@@]1(O)c1ccccc1 ZINC000584626316 344968364 /nfs/dbraw/zinc/96/83/64/344968364.db2.gz SLCBSKKXXYOQMP-CRAIPNDOSA-N 0 3 283.371 2.493 10 0 CEAEHN COc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CN ZINC000584637189 344971290 /nfs/dbraw/zinc/97/12/90/344971290.db2.gz LBWCMKQMIITMMO-UHFFFAOYSA-N 0 3 284.241 2.025 10 0 CEAEHN CN[C@H](C)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000054075044 362510725 /nfs/dbraw/zinc/51/07/25/362510725.db2.gz ZYWWGIAAMWYYJP-RKDXNWHRSA-N 0 3 256.296 2.092 10 0 CEAEHN NCc1ccccc1CS(=O)(=O)c1cccs1 ZINC000084269100 178836093 /nfs/dbraw/zinc/83/60/93/178836093.db2.gz SGYKNRGZTFHJSX-UHFFFAOYSA-N 0 3 267.375 2.181 10 0 CEAEHN COc1cc(C)nc(NCc2ccc3c(c2)CNC3)n1 ZINC000097829812 232186242 /nfs/dbraw/zinc/18/62/42/232186242.db2.gz ZNKOVLVCAJXOFE-UHFFFAOYSA-N 0 3 270.336 2.009 10 0 CEAEHN CN[C@](C)(C[C@H](C)Sc1ccccc1C)C(N)=O ZINC000084350666 178862735 /nfs/dbraw/zinc/86/27/35/178862735.db2.gz DKOMRXMOOUGNQR-SMDDNHRTSA-N 0 3 266.410 2.329 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1cccc(F)n1)c1ccccc1 ZINC000127463648 187308446 /nfs/dbraw/zinc/30/84/46/187308446.db2.gz CPWZKGSWMQRAHX-AWEZNQCLSA-N 0 3 287.338 2.253 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000236885779 370646621 /nfs/dbraw/zinc/64/66/21/370646621.db2.gz BHIQOLRTVRYLCS-VIFPVBQESA-N 0 3 269.414 2.184 10 0 CEAEHN CN(CCO)CCN(C)Cc1csc2ccccc12 ZINC000623091590 349935508 /nfs/dbraw/zinc/93/55/08/349935508.db2.gz JIJYIBGASGSFHE-UHFFFAOYSA-N 0 3 278.421 2.257 10 0 CEAEHN CCN[C@@H](Cc1cc(C)nn1CC)c1cc(C)nn1C ZINC000097281370 185578965 /nfs/dbraw/zinc/57/89/65/185578965.db2.gz MXLIPLSKFUCEBC-AWEZNQCLSA-N 0 3 275.400 2.147 10 0 CEAEHN CCn1nc(C)cc1C[C@@H](NC)c1cc(C)nnc1C ZINC000097281419 185578920 /nfs/dbraw/zinc/57/89/20/185578920.db2.gz KCXQYXGKLMXWIY-OAHLLOKOSA-N 0 3 273.384 2.121 10 0 CEAEHN CCN(CC)C1([C@H](NN)c2ccncc2F)CCCC1 ZINC000097588039 185633641 /nfs/dbraw/zinc/63/36/41/185633641.db2.gz HVHAADSKHBARRG-CQSZACIVSA-N 0 3 280.391 2.380 10 0 CEAEHN C[C@@H]1CCC[C@@H](OC[C@@](N)(CO)c2ccccc2)C1 ZINC000085267606 178997477 /nfs/dbraw/zinc/99/74/77/178997477.db2.gz MQMSGCXQOSHIEA-BMFZPTHFSA-N 0 3 263.381 2.428 10 0 CEAEHN CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COC(C)(C)C ZINC000060845990 362670101 /nfs/dbraw/zinc/67/01/01/362670101.db2.gz HDNWZQAPZNUHHK-CYBMUJFWSA-N 0 3 295.379 2.023 10 0 CEAEHN NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000061609860 362683610 /nfs/dbraw/zinc/68/36/10/362683610.db2.gz BLOYETQUKLPQOU-OAHLLOKOSA-N 0 3 255.317 2.472 10 0 CEAEHN C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N(C)C ZINC000085133188 539540855 /nfs/dbraw/zinc/54/08/55/539540855.db2.gz HIFRFMUYHSYPTR-LPEHRKFASA-N 0 3 266.307 2.174 10 0 CEAEHN C[C@@](O)(CN[C@H](CO)c1ccccc1)c1ccccc1 ZINC000063002184 362741553 /nfs/dbraw/zinc/74/15/53/362741553.db2.gz NNWBEWCINRQOQL-IAGOWNOFSA-N 0 3 271.360 2.217 10 0 CEAEHN CCCc1nc2c(n1[C@H]1CCCN(CC)C1)CCNC2 ZINC000085572804 179098003 /nfs/dbraw/zinc/09/80/03/179098003.db2.gz UUUXNKUEUXFZRC-ZDUSSCGKSA-N 0 3 276.428 2.138 10 0 CEAEHN C[C@H]1CN(Cc2nc(NN)ccc2Cl)C[C@@H]1C ZINC000086012117 179214521 /nfs/dbraw/zinc/21/45/21/179214521.db2.gz OFHQANUGDCXTFJ-IUCAKERBSA-N 0 3 254.765 2.108 10 0 CEAEHN CC(C)n1ccc(CNC[C@H]2CCCC[C@H]2O)n1 ZINC000085985682 179211780 /nfs/dbraw/zinc/21/17/80/179211780.db2.gz FAVNQFLIWXLVLU-TZMCWYRMSA-N 0 3 251.374 2.105 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(CCc2ccncc2)CCN1 ZINC000086141969 179236670 /nfs/dbraw/zinc/23/66/70/179236670.db2.gz XLABHJKTECYTAS-SFHVURJKSA-N 0 3 281.403 2.445 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(Cc2nccs2)CCN1 ZINC000086144187 179238165 /nfs/dbraw/zinc/23/81/65/179238165.db2.gz GVFQQRLZLSJXMP-HNNXBMFYSA-N 0 3 273.405 2.464 10 0 CEAEHN COc1ccc(CN(C)C[C@@H](O)COC(C)(C)C)cc1O ZINC000086169250 179243081 /nfs/dbraw/zinc/24/30/81/179243081.db2.gz JPOFXJHSHBJYGO-CYBMUJFWSA-N 0 3 297.395 2.009 10 0 CEAEHN Cc1ncccc1CN1CC[C@H](c2cnn(C)c2)C1 ZINC000128527039 187376203 /nfs/dbraw/zinc/37/62/03/187376203.db2.gz YXALCGUYNQPMLT-AWEZNQCLSA-N 0 3 256.353 2.113 10 0 CEAEHN c1csc(CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128587164 187379154 /nfs/dbraw/zinc/37/91/54/187379154.db2.gz GKOJRURFCHMZQC-LBPRGKRZSA-N 0 3 262.382 2.252 10 0 CEAEHN CCCN1C(=O)C[C@@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317441 179270418 /nfs/dbraw/zinc/27/04/18/179270418.db2.gz BFXHICOKHGHYFJ-WBMJQRKESA-N 0 3 269.348 2.246 10 0 CEAEHN CC(C)CN1C(=O)C[C@@H](N)[C@@H]1c1ccc2ccccc2n1 ZINC000086317458 179270548 /nfs/dbraw/zinc/27/05/48/179270548.db2.gz OKUMBEBZOYKVAF-CXAGYDPISA-N 0 3 283.375 2.492 10 0 CEAEHN COCCCN(C)[C@@H](CN)c1cc(Cl)cs1 ZINC000086333330 179273665 /nfs/dbraw/zinc/27/36/65/179273665.db2.gz CYGLKROORNTTIY-JTQLQIEISA-N 0 3 262.806 2.370 10 0 CEAEHN CN[C@H]1CCCc2sc(N3CCN(C)C(C)(C)C3)nc21 ZINC000086444165 179293712 /nfs/dbraw/zinc/29/37/12/179293712.db2.gz MBYYMWFKAMJWJC-NSHDSACASA-N 0 3 294.468 2.270 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(C)nc2C)[C@@H](CC)CN1 ZINC000086446150 179294913 /nfs/dbraw/zinc/29/49/13/179294913.db2.gz KVRZEVNWHWKVRP-KGLIPLIRSA-N 0 3 275.396 2.301 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1scnc1C ZINC000086448148 179295357 /nfs/dbraw/zinc/29/53/57/179295357.db2.gz ZGKQUMOEDDPVJN-WDEREUQCSA-N 0 3 267.398 2.054 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccoc1C ZINC000086446772 179295755 /nfs/dbraw/zinc/29/57/55/179295755.db2.gz HXMMQQKCWJDLDW-NWDGAFQWSA-N 0 3 250.342 2.191 10 0 CEAEHN [NH3+]C1(c2ncc(-c3nc(C4CCC4)no3)[n-]2)CCC1 ZINC000086486077 179301928 /nfs/dbraw/zinc/30/19/28/179301928.db2.gz JITRDYUCJOMPDO-UHFFFAOYSA-N 0 3 259.313 2.065 10 0 CEAEHN NC1(c2nc(-c3nc(C4CCC4)no3)c[nH]2)CCC1 ZINC000086486077 179301930 /nfs/dbraw/zinc/30/19/30/179301930.db2.gz JITRDYUCJOMPDO-UHFFFAOYSA-N 0 3 259.313 2.065 10 0 CEAEHN c1ccc2c(c1)C[C@H]2c1nccc(CNC2CC2)n1 ZINC000086490713 179302504 /nfs/dbraw/zinc/30/25/04/179302504.db2.gz NERXHFLAZRXLOS-OAHLLOKOSA-N 0 3 251.333 2.417 10 0 CEAEHN CSc1cc2c(cc1CNC(C)(C)CO)OCCO2 ZINC000086498682 179303523 /nfs/dbraw/zinc/30/35/23/179303523.db2.gz WYWKPLRFCYYKRI-UHFFFAOYSA-N 0 3 283.393 2.040 10 0 CEAEHN N[C@]1(c2cscc2Br)CCCOC1 ZINC000086554052 179307102 /nfs/dbraw/zinc/30/71/02/179307102.db2.gz SBIDOBPYWNDUJS-SECBINFHSA-N 0 3 262.172 2.475 10 0 CEAEHN N[C@@H](Cc1ccccc1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000086567201 179307569 /nfs/dbraw/zinc/30/75/69/179307569.db2.gz TXDPBCMXCOIZQO-CABCVRRESA-N 0 3 287.384 2.128 10 0 CEAEHN CCS(=O)(=O)CC[C@@]1(N)CCCc2ccccc21 ZINC000086567323 179308031 /nfs/dbraw/zinc/30/80/31/179308031.db2.gz JXQIUQDJHVJJEO-AWEZNQCLSA-N 0 3 267.394 2.002 10 0 CEAEHN COC[C@@H](C)N(C)Cc1ccc(Br)cc1N ZINC000086706293 179322286 /nfs/dbraw/zinc/32/22/86/179322286.db2.gz IKYIAGVCBCMLCF-SECBINFHSA-N 0 3 287.201 2.498 10 0 CEAEHN Nc1cc(Br)ccc1CNC[C@@H]1CCCO1 ZINC000086706216 179322014 /nfs/dbraw/zinc/32/20/14/179322014.db2.gz QIGWQXVZSKBDHT-NSHDSACASA-N 0 3 285.185 2.300 10 0 CEAEHN O[C@@H](c1ccc2c(c1)CCO2)[C@@H]1NCc2ccccc21 ZINC000086668064 179317117 /nfs/dbraw/zinc/31/71/17/179317117.db2.gz COVMEGVBTMJKHH-SJORKVTESA-N 0 3 267.328 2.499 10 0 CEAEHN O[C@@H](c1ccc2c(c1)OCCO2)[C@@H]1NCc2ccccc21 ZINC000086667111 179317339 /nfs/dbraw/zinc/31/73/39/179317339.db2.gz QFLNJKZMYGYQSO-SJORKVTESA-N 0 3 283.327 2.336 10 0 CEAEHN CCc1ccccc1CN[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000086676226 179318965 /nfs/dbraw/zinc/31/89/65/179318965.db2.gz NTJNAAHCNUFIOT-LSDHHAIUSA-N 0 3 281.421 2.304 10 0 CEAEHN CCc1ccccc1CN[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000086676225 179319283 /nfs/dbraw/zinc/31/92/83/179319283.db2.gz NTJNAAHCNUFIOT-HUUCEWRRSA-N 0 3 281.421 2.304 10 0 CEAEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000130401882 365952873 /nfs/dbraw/zinc/95/28/73/365952873.db2.gz PNQHLPAROFFPAQ-INIZCTEOSA-N 0 3 285.395 2.202 10 0 CEAEHN C[C@H]([NH3+])c1nnc(-c2ncc(Cl)cc2Cl)[n-]1 ZINC000086784423 179332283 /nfs/dbraw/zinc/33/22/83/179332283.db2.gz BPZXXMWPDURRCH-BYPYZUCNSA-N 0 3 258.112 2.193 10 0 CEAEHN C[C@H](N)c1nc(-c2ncc(Cl)cc2Cl)n[nH]1 ZINC000086784423 179332286 /nfs/dbraw/zinc/33/22/86/179332286.db2.gz BPZXXMWPDURRCH-BYPYZUCNSA-N 0 3 258.112 2.193 10 0 CEAEHN CCOC(=O)[C@@]1(NCc2ccccc2)CCCN(C)CC1 ZINC000086819794 179348137 /nfs/dbraw/zinc/34/81/37/179348137.db2.gz FRFPIOFREWBOEE-QGZVFWFLSA-N 0 3 290.407 2.194 10 0 CEAEHN CCC(N)(CC)C(=O)Nc1ccc(Br)cn1 ZINC000086812677 179341537 /nfs/dbraw/zinc/34/15/37/179341537.db2.gz VUKSGIXGLLRWLA-UHFFFAOYSA-N 0 3 286.173 2.300 10 0 CEAEHN CC(C)N[C@]1(c2nccs2)CCCN(C)CC1 ZINC000086833711 179349879 /nfs/dbraw/zinc/34/98/79/179349879.db2.gz LEJHLJKSANFMTI-CYBMUJFWSA-N 0 3 253.415 2.452 10 0 CEAEHN COC(=O)[C@]1(Nc2ccc(F)cc2)CCCN(C)CC1 ZINC000086833209 179349925 /nfs/dbraw/zinc/34/99/25/179349925.db2.gz OKSFEDQSFYTAPE-HNNXBMFYSA-N 0 3 280.343 2.265 10 0 CEAEHN COc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1Cl ZINC000128716300 187386411 /nfs/dbraw/zinc/38/64/11/187386411.db2.gz PMWMTECEHABWJI-NSHDSACASA-N 0 3 282.771 2.125 10 0 CEAEHN CCC[C@](C)([NH2+][C@@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086868653 179361469 /nfs/dbraw/zinc/36/14/69/179361469.db2.gz HVNZCNGIEKGVJX-HIFRSBDPSA-N 0 3 270.417 2.482 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+]2CC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086869109 179362182 /nfs/dbraw/zinc/36/21/82/179362182.db2.gz GILFVHGLPVIOJT-GOEBONIOSA-N 0 3 282.428 2.438 10 0 CEAEHN CCCN1CCC[C@H]([N@H+]2CC[C@@](CC)(C(=O)[O-])C2)CC1 ZINC000086869109 179362183 /nfs/dbraw/zinc/36/21/83/179362183.db2.gz GILFVHGLPVIOJT-GOEBONIOSA-N 0 3 282.428 2.438 10 0 CEAEHN CC[C@H](C(=O)[O-])[N@H+](C)[C@@H]1CCCN(C(C)C)CC1 ZINC000086869234 179362994 /nfs/dbraw/zinc/36/29/94/179362994.db2.gz FSTKRJSZPVPFPA-CHWSQXEVSA-N 0 3 256.390 2.044 10 0 CEAEHN CC[C@H](C(=O)[O-])[N@@H+](C)[C@@H]1CCCN(C(C)C)CC1 ZINC000086869234 179362997 /nfs/dbraw/zinc/36/29/97/179362997.db2.gz FSTKRJSZPVPFPA-CHWSQXEVSA-N 0 3 256.390 2.044 10 0 CEAEHN COC(=O)[C@@]1(NCCN(C)C)CCCC(C)(C)CC1 ZINC000086915928 179367245 /nfs/dbraw/zinc/36/72/45/179367245.db2.gz HIDRZULCPAAGRO-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CNCc1cc(C)nc([C@H]2CSCCS2)n1 ZINC000086985374 179374038 /nfs/dbraw/zinc/37/40/38/179374038.db2.gz FUJJCGLENSNVHS-SNVBAGLBSA-N 0 3 255.412 2.026 10 0 CEAEHN C[C@@H]1SCCC[C@@]1(CO)NCc1cccs1 ZINC000086968906 179370936 /nfs/dbraw/zinc/37/09/36/179370936.db2.gz YWQRXDATWZPHNF-JQWIXIFHSA-N 0 3 257.424 2.484 10 0 CEAEHN N[C@@H]1CCCc2sc([C@@H]3CSCCO3)nc21 ZINC000086989890 179374388 /nfs/dbraw/zinc/37/43/88/179374388.db2.gz OAJPVJVZNQXKER-SFYZADRCSA-N 0 3 256.396 2.284 10 0 CEAEHN COc1ccc(-c2nc(C)c(C)c(NN)n2)cc1F ZINC000086994252 179375852 /nfs/dbraw/zinc/37/58/52/179375852.db2.gz LYRTXPWPDGTSLR-UHFFFAOYSA-N 0 3 262.288 2.194 10 0 CEAEHN CCC1(CC)CNC[C@@H](c2ccc(S(C)(=O)=O)cc2)O1 ZINC000087007185 179378360 /nfs/dbraw/zinc/37/83/60/179378360.db2.gz JUQZKTLQHRSEKK-AWEZNQCLSA-N 0 3 297.420 2.310 10 0 CEAEHN Cc1cccc(NC(=O)CNC[C@@]2(O)CCC[C@@H](C)C2)c1 ZINC000087065332 179390032 /nfs/dbraw/zinc/39/00/32/179390032.db2.gz UIWDMFCSQPULGZ-RHSMWYFYSA-N 0 3 290.407 2.464 10 0 CEAEHN CC1(C)CCC(O)(CNCc2ccccc2C(N)=O)CC1 ZINC000087063484 179390449 /nfs/dbraw/zinc/39/04/49/179390449.db2.gz VGSBIKKESDTNED-UHFFFAOYSA-N 0 3 290.407 2.206 10 0 CEAEHN C[C@H]1CCC[C@](N)(C(=O)NCC2(O)CCCCCC2)C1 ZINC000087089879 179393446 /nfs/dbraw/zinc/39/34/46/179393446.db2.gz ZUACLUATXFYIKD-XJKSGUPXSA-N 0 3 282.428 2.096 10 0 CEAEHN CN(C)CCSc1ncc(Br)cc1N ZINC000087416685 179423034 /nfs/dbraw/zinc/42/30/34/179423034.db2.gz UVSBQNLWPYRWMH-UHFFFAOYSA-N 0 3 276.203 2.080 10 0 CEAEHN CCN[C@@](C)(CC(N)=O)c1cccc(C(F)(F)F)c1 ZINC000087549559 179444456 /nfs/dbraw/zinc/44/44/56/179444456.db2.gz ORISIXVWMVXPTH-LBPRGKRZSA-N 0 3 274.286 2.406 10 0 CEAEHN CCOC(=O)c1cccc([C@H]2CN(C(C)C)CCN2)c1 ZINC000616631684 348541271 /nfs/dbraw/zinc/54/12/71/348541271.db2.gz BDIPSNHLRAWWCV-OAHLLOKOSA-N 0 3 276.380 2.218 10 0 CEAEHN CCN1CCOC[C@H](c2ccc3nnccc3c2)C1 ZINC000616660382 348552169 /nfs/dbraw/zinc/55/21/69/348552169.db2.gz LTXFJUYPZNZYOO-CQSZACIVSA-N 0 3 257.337 2.066 10 0 CEAEHN CC(C)(C)OC(=O)Nc1ccc([C@@H]2CNCCN2)cc1 ZINC000616654307 348549075 /nfs/dbraw/zinc/54/90/75/348549075.db2.gz QCXTUINYTSQMSI-ZDUSSCGKSA-N 0 3 277.368 2.268 10 0 CEAEHN c1ccc(CN2CCCO[C@H](c3cncnc3)C2)cc1 ZINC000616652661 348549139 /nfs/dbraw/zinc/54/91/39/348549139.db2.gz NBMMVCOBTMUWFY-INIZCTEOSA-N 0 3 269.348 2.440 10 0 CEAEHN CC(C)N1CCOCC[C@H]1c1cccc(CCO)c1 ZINC000616597380 348529110 /nfs/dbraw/zinc/52/91/10/348529110.db2.gz DSDRUKWOUCIDBI-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN CCOC(=O)c1ccc([C@H]2CCCCN2CCO)cc1 ZINC000616614199 348534703 /nfs/dbraw/zinc/53/47/03/348534703.db2.gz KQKHVDNYPGTHTE-OAHLLOKOSA-N 0 3 277.364 2.383 10 0 CEAEHN c1ccc2c(c1)C[C@H](c1ncc(CNC3CC3)cn1)CO2 ZINC000088039946 179537771 /nfs/dbraw/zinc/53/77/71/179537771.db2.gz WRNBDJQOUQJXMH-AWEZNQCLSA-N 0 3 281.359 2.447 10 0 CEAEHN NC1(C(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000088130536 179553736 /nfs/dbraw/zinc/55/37/36/179553736.db2.gz CTTQFBLAKMDQRY-LBPRGKRZSA-N 0 3 264.756 2.495 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1c(C)ccnc1Cl ZINC000088189003 179562035 /nfs/dbraw/zinc/56/20/35/179562035.db2.gz QBIJOVDBCWMAGS-VXNVDRBHSA-N 0 3 255.749 2.355 10 0 CEAEHN CC(C)[C@H]1COCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616662346 348554002 /nfs/dbraw/zinc/55/40/02/348554002.db2.gz AMJMUOSLUYYTHY-CYBMUJFWSA-N 0 3 286.416 2.116 10 0 CEAEHN COCc1ccccc1[C@H]1[C@@H](N)CCC(=O)N1CC(C)C ZINC000088557126 179624392 /nfs/dbraw/zinc/62/43/92/179624392.db2.gz FTYYVWCFZAJVHT-RDJZCZTQSA-N 0 3 290.407 2.480 10 0 CEAEHN CCC[C@H]1C[C@@H]1NC(=O)c1cccc2c1CCNC2 ZINC000233399720 539669666 /nfs/dbraw/zinc/66/96/66/539669666.db2.gz PYHVGDZVNHWXHG-NHYWBVRUSA-N 0 3 258.365 2.251 10 0 CEAEHN CCNCc1cn(Cc2c(Cl)c(CC)nn2C)nc1C ZINC000089333361 179770906 /nfs/dbraw/zinc/77/09/06/179770906.db2.gz TUWQIVUGUHBWDD-UHFFFAOYSA-N 0 3 295.818 2.299 10 0 CEAEHN COC(=O)[C@H](C)CN[C@@H](C)c1ccc(OC)cc1 ZINC000090340269 179967653 /nfs/dbraw/zinc/96/76/53/179967653.db2.gz PDFKKSCRENBNNL-MNOVXSKESA-N 0 3 251.326 2.155 10 0 CEAEHN C[C@@]1(c2nc(-c3ccccc3Cl)no2)COC[C@H]1N ZINC000090573654 180007785 /nfs/dbraw/zinc/00/77/85/180007785.db2.gz LIBCORRZBFDYBP-ZWNOBZJWSA-N 0 3 279.727 2.005 10 0 CEAEHN CCCn1c2ccc(C)cc2nc1[C@]1(C)COC[C@H]1N ZINC000090571698 180007944 /nfs/dbraw/zinc/00/79/44/180007944.db2.gz LPGHYFYKFHVKAO-GDBMZVCRSA-N 0 3 273.380 2.370 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)COC[C@@H]1N ZINC000090580565 180008340 /nfs/dbraw/zinc/00/83/40/180008340.db2.gz IGHGYOCLQOOOMQ-CMPLNLGQSA-N 0 3 288.269 2.008 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)COC[C@@H]1N ZINC000090580688 180008794 /nfs/dbraw/zinc/00/87/94/180008794.db2.gz IMGNWEYXABNRFY-JQWIXIFHSA-N 0 3 289.162 2.296 10 0 CEAEHN CC(C)COc1cccc(NC(=O)[C@]2(C)COC[C@H]2N)c1 ZINC000090589875 180010212 /nfs/dbraw/zinc/01/02/12/180010212.db2.gz RHLBXCPZFZPYQT-GDBMZVCRSA-N 0 3 292.379 2.024 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090590095 180010308 /nfs/dbraw/zinc/01/03/08/180010308.db2.gz QNAHQVUNWSKIJK-JSGCOSHPSA-N 0 3 298.770 2.041 10 0 CEAEHN C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@]1(C)COC[C@@H]1N ZINC000090595913 180010399 /nfs/dbraw/zinc/01/03/99/180010399.db2.gz NGKXLHBDJBFWHH-RIEGTJTDSA-N 0 3 296.798 2.223 10 0 CEAEHN CCOc1ccc(NC(=O)[C@@]2(C)COC[C@H]2N)cc1Cl ZINC000090589802 180010519 /nfs/dbraw/zinc/01/05/19/180010519.db2.gz NEEXEJCGBJTZCB-OCCSQVGLSA-N 0 3 298.770 2.041 10 0 CEAEHN C[C@H](O[C@H]1COc2ccccc2[C@@H]1N)C(F)(F)F ZINC000090672518 180021179 /nfs/dbraw/zinc/02/11/79/180021179.db2.gz HQVAIUCKRHGMGM-SWPVVBRQSA-N 0 3 261.243 2.415 10 0 CEAEHN Nc1nsc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000090693043 180025112 /nfs/dbraw/zinc/02/51/12/180025112.db2.gz DMUUOBYXMXONHC-UHFFFAOYSA-N 0 3 289.408 2.197 10 0 CEAEHN CC(C)NC(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090700974 180027924 /nfs/dbraw/zinc/02/79/24/180027924.db2.gz IEYIXLRWSZGTQZ-ZDUSSCGKSA-N 0 3 285.457 2.008 10 0 CEAEHN COc1cc(NC[C@H](C)N2CCCCC2)nc(C)n1 ZINC000090791946 180042510 /nfs/dbraw/zinc/04/25/10/180042510.db2.gz WWYNEXCRAHBTFB-NSHDSACASA-N 0 3 264.373 2.080 10 0 CEAEHN COc1ncnc(N[C@@H](CC(C)C)CN(C)C)c1C ZINC000090791116 180042726 /nfs/dbraw/zinc/04/27/26/180042726.db2.gz NYQSQGGNNWCXNK-LBPRGKRZSA-N 0 3 266.389 2.182 10 0 CEAEHN CCOc1cc(N[C@H]2CCCN(CC)C2)nc(C)n1 ZINC000090792010 180042916 /nfs/dbraw/zinc/04/29/16/180042916.db2.gz YUMDKKITQBTVIT-LBPRGKRZSA-N 0 3 264.373 2.080 10 0 CEAEHN COc1cc([C@H](C)NC[C@H](C)[S@](C)=O)ccc1F ZINC000090841811 180043664 /nfs/dbraw/zinc/04/36/64/180043664.db2.gz LQZLXEJWWZLQAN-LXIMFEHMSA-N 0 3 273.373 2.252 10 0 CEAEHN COc1cc(CNC[C@H]2Cc3ccccc3O2)ccn1 ZINC000090874609 180051252 /nfs/dbraw/zinc/05/12/52/180051252.db2.gz XUYWRHJSIRHIFF-CQSZACIVSA-N 0 3 270.332 2.184 10 0 CEAEHN OC[C@H](NC[C@H]1Cc2cc(F)ccc2O1)c1ccccc1 ZINC000090892762 180055520 /nfs/dbraw/zinc/05/55/20/180055520.db2.gz JMAMEOCRSIRQRV-CVEARBPZSA-N 0 3 287.334 2.452 10 0 CEAEHN COc1ncccc1CNC[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897441 180056701 /nfs/dbraw/zinc/05/67/01/180056701.db2.gz HEWSQACWPNSYAF-HNNXBMFYSA-N 0 3 284.359 2.492 10 0 CEAEHN NC[C@H](c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905714 180060508 /nfs/dbraw/zinc/06/05/08/180060508.db2.gz JWGSDHXTFVGADL-UHIISALHSA-N 0 3 284.762 2.342 10 0 CEAEHN NC(=S)C[C@@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906235 180060999 /nfs/dbraw/zinc/06/09/99/180060999.db2.gz KNCSKVQVZHXTEO-MJBXVCDLSA-N 0 3 276.405 2.267 10 0 CEAEHN Cc1ccc(C)c([C@@H](N)CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906068 180061253 /nfs/dbraw/zinc/06/12/53/180061253.db2.gz XTGZAYLOWUVZFF-LZWOXQAQSA-N 0 3 260.381 2.166 10 0 CEAEHN CC(=O)Nc1ccsc1CNC[C@H]1CCCCO1 ZINC000090960479 180075321 /nfs/dbraw/zinc/07/53/21/180075321.db2.gz MKLDBVOAJPPULW-LLVKDONJSA-N 0 3 268.382 2.365 10 0 CEAEHN CCCCOCCn1ccnc1CNCC(C)C ZINC000091002788 180083968 /nfs/dbraw/zinc/08/39/68/180083968.db2.gz WZNDRFVCHUCUGN-UHFFFAOYSA-N 0 3 253.390 2.445 10 0 CEAEHN CCCn1ccc(CN[C@H](C)C(=O)N(CC)CC)c1 ZINC000091011823 180085874 /nfs/dbraw/zinc/08/58/74/180085874.db2.gz FEGPTYJWZSLAMR-CYBMUJFWSA-N 0 3 265.401 2.245 10 0 CEAEHN COCCNCc1cn(C(F)F)c2ncccc12 ZINC000091021201 180088898 /nfs/dbraw/zinc/08/88/98/180088898.db2.gz QPOZFOBZGFCMIK-UHFFFAOYSA-N 0 3 255.268 2.167 10 0 CEAEHN CC(C)n1c(C[C@H]2CSCCN2)nc2cnccc21 ZINC000091128705 180100152 /nfs/dbraw/zinc/10/01/52/180100152.db2.gz NASXUEGIODOGBZ-NSHDSACASA-N 0 3 276.409 2.260 10 0 CEAEHN CCn1c(C[C@H]2CSCCN2)nc2ccc(F)cc21 ZINC000091128657 180100474 /nfs/dbraw/zinc/10/04/74/180100474.db2.gz NTIOZRLFSDYLGY-NSHDSACASA-N 0 3 279.384 2.443 10 0 CEAEHN COCCNCc1cnn(-c2ccccc2)c1C1CC1 ZINC000091335016 180136394 /nfs/dbraw/zinc/13/63/94/180136394.db2.gz AZUCVUQXTLKSDH-UHFFFAOYSA-N 0 3 271.364 2.486 10 0 CEAEHN CCCc1c(CNCCOC)cnn1CC(C)C ZINC000091336461 180136549 /nfs/dbraw/zinc/13/65/49/180136549.db2.gz BBMNADREFATFES-UHFFFAOYSA-N 0 3 253.390 2.228 10 0 CEAEHN CCNCc1c(S[C@@H](C)CCO)nc2ccccn21 ZINC000091268228 180117160 /nfs/dbraw/zinc/11/71/60/180117160.db2.gz GLDAWJNBSWFOJN-NSHDSACASA-N 0 3 279.409 2.307 10 0 CEAEHN CC(C)n1cncc1[C@H](O)[C@@H]1NCCc2ccccc21 ZINC000091273573 180117917 /nfs/dbraw/zinc/11/79/17/180117917.db2.gz XLGPPWHVCDGASN-CVEARBPZSA-N 0 3 271.364 2.384 10 0 CEAEHN CC(C)CCN(C)[C@H](CN)c1cncn1C1CC1 ZINC000091276346 180119884 /nfs/dbraw/zinc/11/98/84/180119884.db2.gz XJWFNBWFKWIUMH-CYBMUJFWSA-N 0 3 250.390 2.196 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCc3cncn3C)ccc21 ZINC000091278470 180121062 /nfs/dbraw/zinc/12/10/62/180121062.db2.gz FNVNZUYUUCCMBB-OAHLLOKOSA-N 0 3 287.363 2.432 10 0 CEAEHN Fc1ccc(-c2noc(C[C@@H]3CNCCO3)n2)cc1Cl ZINC000091295111 180124685 /nfs/dbraw/zinc/12/46/85/180124685.db2.gz QAVUQMSKVRFLEL-SECBINFHSA-N 0 3 297.717 2.060 10 0 CEAEHN Fc1ccc(-c2noc(C[C@H]3CNCCO3)n2)c(Cl)c1 ZINC000091295102 180124754 /nfs/dbraw/zinc/12/47/54/180124754.db2.gz JRQCCHVNUJYOAC-VIFPVBQESA-N 0 3 297.717 2.060 10 0 CEAEHN C[C@@H](N)c1cc(F)ccc1N(C)CC1CC(O)C1 ZINC000091451356 180158653 /nfs/dbraw/zinc/15/86/53/180158653.db2.gz YKPSZIZZKQRHGG-GRZMOONWSA-N 0 3 252.333 2.053 10 0 CEAEHN Cc1ncccc1NC(=O)[C@H](CN)c1ccccc1 ZINC000091496140 180171406 /nfs/dbraw/zinc/17/14/06/180171406.db2.gz VNRAWJWFTDLXPU-CYBMUJFWSA-N 0 3 255.321 2.071 10 0 CEAEHN CCCN[C@H]([C@H](C)c1ccccn1)C(C)(C)S(C)(=O)=O ZINC000091383454 180143996 /nfs/dbraw/zinc/14/39/96/180143996.db2.gz NIPQURVMXNWOKW-TZMCWYRMSA-N 0 3 298.452 2.377 10 0 CEAEHN COc1ccc(C=O)cc1CN1CCC[C@H](N(C)C)C1 ZINC000091392114 180144899 /nfs/dbraw/zinc/14/48/99/180144899.db2.gz QODGNPQRSYYADV-HNNXBMFYSA-N 0 3 276.380 2.034 10 0 CEAEHN CCCNCc1cncc(N(C)CCC(C)C)n1 ZINC000091420559 180150587 /nfs/dbraw/zinc/15/05/87/180150587.db2.gz ZUTSHFHMBNFTQX-UHFFFAOYSA-N 0 3 250.390 2.459 10 0 CEAEHN CN(Cc1ccccc1Cl)c1cncc(CN)n1 ZINC000091421031 180150699 /nfs/dbraw/zinc/15/06/99/180150699.db2.gz OFUICXGNHUTLCU-UHFFFAOYSA-N 0 3 262.744 2.225 10 0 CEAEHN CC(C)CNCc1cncc(N(C)CC(C)C)n1 ZINC000091419182 180150736 /nfs/dbraw/zinc/15/07/36/180150736.db2.gz LCTQUGPAGGRNSI-UHFFFAOYSA-N 0 3 250.390 2.314 10 0 CEAEHN COCCN(CC(C)C)c1cncc(CNC(C)C)n1 ZINC000091419953 180150894 /nfs/dbraw/zinc/15/08/94/180150894.db2.gz POVBRNKPSHVXBE-UHFFFAOYSA-N 0 3 280.416 2.083 10 0 CEAEHN CNCc1cncc(N2CCC[C@H]2C2CCCC2)n1 ZINC000091420177 180150982 /nfs/dbraw/zinc/15/09/82/180150982.db2.gz PTWQFQHSTJFUBR-AWEZNQCLSA-N 0 3 260.385 2.355 10 0 CEAEHN COc1ccc([C@@H](N)C(C)(C)N2CCOCC2)c(C)c1 ZINC000091566204 180194239 /nfs/dbraw/zinc/19/42/39/180194239.db2.gz IPXBNSBTEXHMKA-OAHLLOKOSA-N 0 3 278.396 2.114 10 0 CEAEHN CC[C@](C)(C(=O)Cc1c(Cl)c(C)nn1C)N(C)C ZINC000091568857 180194991 /nfs/dbraw/zinc/19/49/91/180194991.db2.gz QUQOUVVZHZUXTA-CYBMUJFWSA-N 0 3 271.792 2.224 10 0 CEAEHN CC(C)[C@H](N[C@@H]1CC(=O)N(C2CC2)C1=O)c1cccs1 ZINC000105113241 186042233 /nfs/dbraw/zinc/04/22/33/186042233.db2.gz CWMMBUHFAGCYDS-RISCZKNCSA-N 0 3 292.404 2.325 10 0 CEAEHN CC[C@](C)([C@H](NC)c1cnccn1)N1CCCCC1 ZINC000091609666 180205687 /nfs/dbraw/zinc/20/56/87/180205687.db2.gz VHYSBZPQZHTMLT-HUUCEWRRSA-N 0 3 262.401 2.392 10 0 CEAEHN CC[C@](C)([C@@H](NC)c1ccoc1)N1CCOCC1 ZINC000091612632 180207121 /nfs/dbraw/zinc/20/71/21/180207121.db2.gz XPJYHSHDDHTVSS-UONOGXRCSA-N 0 3 252.358 2.041 10 0 CEAEHN Cc1cc(F)cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1 ZINC000091514169 180177070 /nfs/dbraw/zinc/17/70/70/180177070.db2.gz DWDHYPYYYLOZNI-HNNXBMFYSA-N 0 3 288.322 2.348 10 0 CEAEHN Cc1cc(F)cc(NC(=O)c2ccnc(NN)c2)c1 ZINC000091527141 180179594 /nfs/dbraw/zinc/17/95/94/180179594.db2.gz KRIKOSFKLHRFQZ-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN Cc1cc(F)cc(NC(=O)c2cc[nH]c(=NN)c2)c1 ZINC000091527141 180179598 /nfs/dbraw/zinc/17/95/98/180179598.db2.gz KRIKOSFKLHRFQZ-UHFFFAOYSA-N 0 3 260.272 2.067 10 0 CEAEHN CCCn1cc([C@@H](NCC)C(C)(C)N(C)C)cn1 ZINC000091529177 180180920 /nfs/dbraw/zinc/18/09/20/180180920.db2.gz XGZDXMQIWORLKJ-CYBMUJFWSA-N 0 3 252.406 2.284 10 0 CEAEHN CCCCCC[C@H](C)N[C@H]1CC(=O)N(CCC)C1=O ZINC000105039897 186038599 /nfs/dbraw/zinc/03/85/99/186038599.db2.gz JWBBEWKQZBWBAS-STQMWFEESA-N 0 3 268.401 2.472 10 0 CEAEHN Cc1nn(C)c(CC(=O)C2(N(C)C)CCCC2)c1Cl ZINC000091636081 180211726 /nfs/dbraw/zinc/21/17/26/180211726.db2.gz QBSJDKAPQBRFBX-UHFFFAOYSA-N 0 3 283.803 2.368 10 0 CEAEHN CN[C@H](c1ccoc1)C1(N2CCOCC2)CCCC1 ZINC000091646184 180215295 /nfs/dbraw/zinc/21/52/95/180215295.db2.gz KAQKQWXUDHOGIW-CQSZACIVSA-N 0 3 264.369 2.185 10 0 CEAEHN CCn1ccnc1[C@@H](NC)C1(N(C)C)CCCCC1 ZINC000091647606 180215874 /nfs/dbraw/zinc/21/58/74/180215874.db2.gz BTWAORDNUMDSQU-CYBMUJFWSA-N 0 3 264.417 2.428 10 0 CEAEHN Cc1ccc(F)cc1[C@H](O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091715616 180232057 /nfs/dbraw/zinc/23/20/57/180232057.db2.gz ZTXCVMBMJCZXHF-YUELXQCFSA-N 0 3 265.328 2.031 10 0 CEAEHN CN[C@H](c1ccc2ccccc2c1)[C@@H]1CN(C)CCO1 ZINC000091717572 180232445 /nfs/dbraw/zinc/23/24/45/180232445.db2.gz VCTHAAQHYGMVQP-DLBZAZTESA-N 0 3 270.376 2.431 10 0 CEAEHN CN[C@@H](c1ccc(OC(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717605 180232501 /nfs/dbraw/zinc/23/25/01/180232501.db2.gz RZPMPTUDQWIRFW-CVEARBPZSA-N 0 3 278.396 2.065 10 0 CEAEHN CN[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CN(C)CCO1 ZINC000091717471 180232700 /nfs/dbraw/zinc/23/27/00/180232700.db2.gz PXYGTROPFTVAAS-STQMWFEESA-N 0 3 288.313 2.297 10 0 CEAEHN CCN[C@H](c1ccc(CC)cc1)[C@H]1CN(C)CCO1 ZINC000091718749 180233344 /nfs/dbraw/zinc/23/33/44/180233344.db2.gz KMNGULFQECHFDE-HZPDHXFCSA-N 0 3 262.397 2.230 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1F)[C@H]1CN(C)CCO1 ZINC000091718721 180233395 /nfs/dbraw/zinc/23/33/95/180233395.db2.gz GEEYMPAQNNUQQB-HUUCEWRRSA-N 0 3 266.360 2.115 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1)[C@H]1CN(C)CCO1 ZINC000091719340 180234314 /nfs/dbraw/zinc/23/43/14/180234314.db2.gz KETBDPYVOCECCB-CABCVRRESA-N 0 3 266.360 2.197 10 0 CEAEHN Cc1cc([C@H](C)N[C@H]2CCOC[C@H]2O)c(C)s1 ZINC000624235362 350238426 /nfs/dbraw/zinc/23/84/26/350238426.db2.gz JEBRIBYIBRPSQI-TVYUQYBPSA-N 0 3 255.383 2.165 10 0 CEAEHN CN[C@H](c1cccc(C)c1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721305 180237844 /nfs/dbraw/zinc/23/78/44/180237844.db2.gz YWDFQRNNMYKPJF-HYVNUMGLSA-N 0 3 274.408 2.427 10 0 CEAEHN CC(C)NCc1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722566 180239946 /nfs/dbraw/zinc/23/99/46/180239946.db2.gz QDTMKMJMNKWZDD-OLZOCXBDSA-N 0 3 281.425 2.177 10 0 CEAEHN CCN[C@H](C)c1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722519 180240285 /nfs/dbraw/zinc/24/02/85/180240285.db2.gz UDVVJZPKJNNJCZ-WZRBSPASSA-N 0 3 281.425 2.349 10 0 CEAEHN Cc1noc(CCNCc2ccc(Cl)s2)n1 ZINC000105469700 186059637 /nfs/dbraw/zinc/05/96/37/186059637.db2.gz OJKRTEFGSFTRBU-UHFFFAOYSA-N 0 3 257.746 2.425 10 0 CEAEHN CCC(CC)NC(=O)[C@H](C)N(C)C1CCC(=O)CC1 ZINC000091854031 180273367 /nfs/dbraw/zinc/27/33/67/180273367.db2.gz YHHIAXJKQCGXLV-NSHDSACASA-N 0 3 268.401 2.123 10 0 CEAEHN C[C@H](N)c1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092054403 180313831 /nfs/dbraw/zinc/31/38/31/180313831.db2.gz IUROUQMIUBUNEH-JQWIXIFHSA-N 0 3 284.787 2.069 10 0 CEAEHN Cc1ccc(OCc2ccno2)c(CNC(C)C)n1 ZINC000091995584 180302332 /nfs/dbraw/zinc/30/23/32/180302332.db2.gz HKSVCGNROPLVSM-UHFFFAOYSA-N 0 3 261.325 2.455 10 0 CEAEHN Cc1ccc(C(=O)CN2CC[C@H]3CC[C@@H](C2)N3C)s1 ZINC000092002150 180304343 /nfs/dbraw/zinc/30/43/43/180304343.db2.gz BPPQXBNBSMVRTO-OLZOCXBDSA-N 0 3 278.421 2.408 10 0 CEAEHN CC[C@H](C)N(CC)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115645 180327235 /nfs/dbraw/zinc/32/72/35/180327235.db2.gz WXMGLYZPDMUSKH-JTQLQIEISA-N 0 3 288.388 2.094 10 0 CEAEHN CCC[N-]S(=O)(=O)c1ccc(C[NH2+]C(C)C)cc1F ZINC000092115767 180327428 /nfs/dbraw/zinc/32/74/28/180327428.db2.gz IKAGNRDWSZFEPF-UHFFFAOYSA-N 0 3 288.388 2.012 10 0 CEAEHN CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116058 180327614 /nfs/dbraw/zinc/32/76/14/180327614.db2.gz IXQSUVFMDIHJKZ-JTQLQIEISA-N 0 3 288.388 2.141 10 0 CEAEHN CN[C@H](CN1C(=O)[C@H](C)[C@H](C)C1=O)c1ccc(C)cc1C ZINC000092094183 180323190 /nfs/dbraw/zinc/32/31/90/180323190.db2.gz HYWWKODOEGOTDY-VNHYZAJKSA-N 0 3 288.391 2.205 10 0 CEAEHN CNCc1ccn(C[C@@H]2Cc3ccccc3S2)n1 ZINC000092271938 180356388 /nfs/dbraw/zinc/35/63/88/180356388.db2.gz FMSODJZNTCWDSA-ZDUSSCGKSA-N 0 3 259.378 2.320 10 0 CEAEHN CN[C@@H](CN1C(=O)C[C@@H](C)C1=O)c1ccc(C(C)C)cc1 ZINC000105832490 186076356 /nfs/dbraw/zinc/07/63/56/186076356.db2.gz IMQLLOJZMDSGGS-DOMZBBRYSA-N 0 3 288.391 2.466 10 0 CEAEHN CNCc1cnn(C[C@@H]2COc3ccccc32)c1C ZINC000092306674 180360760 /nfs/dbraw/zinc/36/07/60/180360760.db2.gz LGQSQGYYLRRANF-CYBMUJFWSA-N 0 3 257.337 2.087 10 0 CEAEHN CCc1nn(-c2ccccc2OC)c(CC)c1CN ZINC000092320053 180361690 /nfs/dbraw/zinc/36/16/90/180361690.db2.gz IXDGANMGXJNWQQ-UHFFFAOYSA-N 0 3 259.353 2.464 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2csc(C(C)(C)C)n2)CCO1 ZINC000105925698 186091156 /nfs/dbraw/zinc/09/11/56/186091156.db2.gz IYAOFSUTZMHUKZ-CYBMUJFWSA-N 0 3 297.468 2.203 10 0 CEAEHN COC(=O)[C@H](CNCc1c(C)noc1C)c1ccccc1 ZINC000092339573 180365015 /nfs/dbraw/zinc/36/50/15/180365015.db2.gz SGPIGJZPOYIQOU-OAHLLOKOSA-N 0 3 288.347 2.338 10 0 CEAEHN O=C1C[C@H](NC[C@@H]2CC=CCC2)C(=O)N1c1ccccc1 ZINC000106257845 186105725 /nfs/dbraw/zinc/10/57/25/186105725.db2.gz UBNINGLCPXVRSI-HIFRSBDPSA-N 0 3 284.359 2.264 10 0 CEAEHN CCCNc1cccc(CN(CCCOC)CCOC)n1 ZINC000092369260 180370239 /nfs/dbraw/zinc/37/02/39/180370239.db2.gz XZZZVEARMFEEDR-UHFFFAOYSA-N 0 3 295.427 2.388 10 0 CEAEHN COCCN(C1CC1)[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387860 180374589 /nfs/dbraw/zinc/37/45/89/180374589.db2.gz HRBHCXLKFQMVKR-SJORKVTESA-N 0 3 291.391 2.154 10 0 CEAEHN CCCNc1ccnc(CN2CCC(C(=O)OC)CC2)c1 ZINC000092417868 180381207 /nfs/dbraw/zinc/38/12/07/180381207.db2.gz UVTYXCGVLUGFFR-UHFFFAOYSA-N 0 3 291.395 2.289 10 0 CEAEHN CCNc1ccnc(CN2CCCC[C@H]2C(=O)OCC)c1 ZINC000092418247 180381603 /nfs/dbraw/zinc/38/16/03/180381603.db2.gz OFIPHYRUICWYOC-HNNXBMFYSA-N 0 3 291.395 2.431 10 0 CEAEHN CNc1ccnc(CN2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000092419294 180381968 /nfs/dbraw/zinc/38/19/68/180381968.db2.gz NPSOWPKMSOZBMI-PHIMTYICSA-N 0 3 251.399 2.449 10 0 CEAEHN CCCNc1ccnc(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000092419459 180382034 /nfs/dbraw/zinc/38/20/34/180382034.db2.gz GJBSLNZPQLCMBA-GASCZTMLSA-N 0 3 261.369 2.267 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@H](OC[C@@H]1CCCO1)CC2 ZINC000092386466 180373889 /nfs/dbraw/zinc/37/38/89/180373889.db2.gz VNVQRMIVJRNHLX-IMJJTQAJSA-N 0 3 277.364 2.205 10 0 CEAEHN CCc1ccc([C@H](C)NCc2cc(=O)n3nccc3[nH]2)cc1 ZINC000108850739 186233542 /nfs/dbraw/zinc/23/35/42/186233542.db2.gz STLIEZNXAKBGCE-LBPRGKRZSA-N 0 3 296.374 2.436 10 0 CEAEHN C[C@H](N)c1cc(F)ccc1N1CCCO[C@@H](C)C1 ZINC000109571807 186264353 /nfs/dbraw/zinc/26/43/53/186264353.db2.gz SCZWDYCKNGZBLP-QWRGUYRKSA-N 0 3 252.333 2.461 10 0 CEAEHN CNCc1cc(-n2ccnc2C)c2ccccc2n1 ZINC000109589730 186264896 /nfs/dbraw/zinc/26/48/96/186264896.db2.gz WGQVUVFHEDUMOJ-UHFFFAOYSA-N 0 3 252.321 2.448 10 0 CEAEHN Cc1nnc(Sc2c(CN)cnc3ccccc32)n1C ZINC000109686450 186268978 /nfs/dbraw/zinc/26/89/78/186268978.db2.gz AGLLWKDGQFALBC-UHFFFAOYSA-N 0 3 285.376 2.282 10 0 CEAEHN Cn1cnnc1CCNCc1cccc(Cl)c1Cl ZINC000109420733 186251147 /nfs/dbraw/zinc/25/11/47/186251147.db2.gz VGOVPWYHOLTGAL-UHFFFAOYSA-N 0 3 285.178 2.454 10 0 CEAEHN CN[C@H](CO[C@@H]1CCOC1)c1cc2ccccc2o1 ZINC000110526851 186300793 /nfs/dbraw/zinc/30/07/93/186300793.db2.gz RSTGZZMMPGNFHL-CHWSQXEVSA-N 0 3 261.321 2.499 10 0 CEAEHN NC[C@@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000110537939 186302054 /nfs/dbraw/zinc/30/20/54/186302054.db2.gz FDDSIXLFCMTEHK-GFCCVEGCSA-N 0 3 280.331 2.244 10 0 CEAEHN CC(C)(C)NCc1occc1CO[C@H]1CCOC1 ZINC000110532904 186302092 /nfs/dbraw/zinc/30/20/92/186302092.db2.gz OGDRQAIPDZNIHZ-LBPRGKRZSA-N 0 3 253.342 2.473 10 0 CEAEHN NCc1cccc(NC(=O)[C@@H]2COc3ccccc3C2)c1 ZINC000110539577 186302702 /nfs/dbraw/zinc/30/27/02/186302702.db2.gz FAZPIVSZTOFHMZ-AWEZNQCLSA-N 0 3 282.343 2.335 10 0 CEAEHN CN1CCN(Cc2ccc(N)c3cccnc23)CC1(C)C ZINC000110704517 186313773 /nfs/dbraw/zinc/31/37/73/186313773.db2.gz GDBSCVRDRMLLGN-UHFFFAOYSA-N 0 3 284.407 2.343 10 0 CEAEHN CC[C@@H]1CN(CCCOc2cccc(N)c2)CCN1C ZINC000110703504 186314729 /nfs/dbraw/zinc/31/47/29/186314729.db2.gz FMZSPXFGRIGNIQ-OAHLLOKOSA-N 0 3 277.412 2.064 10 0 CEAEHN Cc1ccc(C)c([C@@H](O)CN2CCN(C)C(C)(C)C2)c1 ZINC000110736592 186319309 /nfs/dbraw/zinc/31/93/09/186319309.db2.gz DRHZUNJUYUASHF-INIZCTEOSA-N 0 3 276.424 2.363 10 0 CEAEHN CC[C@H]1CN(CCNc2ccccc2F)CCN1C ZINC000110757242 186320267 /nfs/dbraw/zinc/32/02/67/186320267.db2.gz SDJAXTTVYFQWRC-ZDUSSCGKSA-N 0 3 265.376 2.264 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1c(N)cccc1Cl ZINC000111011721 186343133 /nfs/dbraw/zinc/34/31/33/186343133.db2.gz RNVHFOFEMJXKCQ-LBPRGKRZSA-N 0 3 283.803 2.238 10 0 CEAEHN CCCOCCO[C@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000111107326 186352828 /nfs/dbraw/zinc/35/28/28/186352828.db2.gz MHKYYMZSHUYPKX-HOTGVXAUSA-N 0 3 279.380 2.453 10 0 CEAEHN CCOCCN(CC)C[C@@H](N)c1ccccc1OCC ZINC000111118684 186355371 /nfs/dbraw/zinc/35/53/71/186355371.db2.gz FAZUNYNZHXSMPQ-OAHLLOKOSA-N 0 3 280.412 2.444 10 0 CEAEHN CCCOc1cc(N(C)CCN(C)C)c(N)cc1F ZINC000111132043 186356383 /nfs/dbraw/zinc/35/63/83/186356383.db2.gz RCWKHLLVYNLREQ-UHFFFAOYSA-N 0 3 269.364 2.195 10 0 CEAEHN CC(=O)c1cc(F)ccc1N(C)CCCN(C)C ZINC000111138309 186357378 /nfs/dbraw/zinc/35/73/78/186357378.db2.gz WRNTTYYGFXKWEQ-UHFFFAOYSA-N 0 3 252.333 2.416 10 0 CEAEHN CN(C)CCN(C)Cc1cc2ccccc2cc1N ZINC000111140439 186357660 /nfs/dbraw/zinc/35/76/60/186357660.db2.gz DDEHEDCCVZDIHS-UHFFFAOYSA-N 0 3 257.381 2.415 10 0 CEAEHN Cc1ccc(CN(C)C[C@@]2(CO)CCCOC2)cc1 ZINC000111331086 186399451 /nfs/dbraw/zinc/39/94/51/186399451.db2.gz UCLLOCQCWGBCDN-MRXNPFEDSA-N 0 3 263.381 2.216 10 0 CEAEHN CCOc1ccc(C(=O)CN(C)CCCN(C)C)cc1 ZINC000111239038 186374946 /nfs/dbraw/zinc/37/49/46/186374946.db2.gz JZBDKWDXAITNHL-UHFFFAOYSA-N 0 3 278.396 2.152 10 0 CEAEHN CCOCCN(CC)[C@H](CN)c1cccc(F)c1 ZINC000111238864 186375206 /nfs/dbraw/zinc/37/52/06/186375206.db2.gz WVFZJEOEVWHPIC-CQSZACIVSA-N 0 3 254.349 2.184 10 0 CEAEHN NCc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)nc1 ZINC000111282380 186389319 /nfs/dbraw/zinc/38/93/19/186389319.db2.gz KYKJMMKKZOUBDA-UHFFFAOYSA-N 0 3 281.237 2.210 10 0 CEAEHN CC1(CN[C@@H]2CC(=O)N(C3CCCC3)C2=O)CCCC1 ZINC000111620569 186433302 /nfs/dbraw/zinc/43/33/02/186433302.db2.gz YJJKVTIPNBUUSU-CYBMUJFWSA-N 0 3 278.396 2.226 10 0 CEAEHN CCC[C@@H](O)CN[C@@H](C)c1c(C)nn(CC)c1C ZINC000131105887 366019642 /nfs/dbraw/zinc/01/96/42/366019642.db2.gz NONBZGRJKAYBTN-GXFFZTMASA-N 0 3 253.390 2.331 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cc(F)ccc2OC)C1 ZINC000122112431 187015746 /nfs/dbraw/zinc/01/57/46/187015746.db2.gz ZFXQVAURMMOOEP-LBPRGKRZSA-N 0 3 295.358 2.440 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000123614557 187101010 /nfs/dbraw/zinc/10/10/10/187101010.db2.gz CJVZZKCJMHLFPR-HNNXBMFYSA-N 0 3 287.407 2.056 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)NC1CCC(OC(C)C)CC1 ZINC000237057282 539829742 /nfs/dbraw/zinc/82/97/42/539829742.db2.gz URPLQSITBBYSFR-GFJIZPEISA-N 0 3 270.417 2.212 10 0 CEAEHN Cn1nccc1C1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000195502272 282861372 /nfs/dbraw/zinc/86/13/72/282861372.db2.gz GKTPETQOGUBZCI-KRWDZBQOSA-N 0 3 285.391 2.333 10 0 CEAEHN Cc1cc(Cl)ccc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000152215321 188003129 /nfs/dbraw/zinc/00/31/29/188003129.db2.gz BXGUAZWLPPBOMW-ZDUSSCGKSA-N 0 3 296.798 2.051 10 0 CEAEHN CC[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)cc1F ZINC000154952836 188173082 /nfs/dbraw/zinc/17/30/82/188173082.db2.gz BVBKIMSQXZFYKV-DOMZBBRYSA-N 0 3 284.350 2.336 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc(OC)cc1)N(C)C ZINC000156787478 188282035 /nfs/dbraw/zinc/28/20/35/188282035.db2.gz MLWHSKMLHIFLIB-CQSZACIVSA-N 0 3 264.369 2.042 10 0 CEAEHN CC(C)(C)[C@H]1CCCN(C(=O)C2(N)CCOCC2)CC1 ZINC000132267681 366130308 /nfs/dbraw/zinc/13/03/08/366130308.db2.gz YIPHUNBWZONOCY-ZDUSSCGKSA-N 0 3 282.428 2.169 10 0 CEAEHN CC(=O)c1ccc(NC(=O)[C@]2(C)CCCCN2)cc1 ZINC000133364624 366217192 /nfs/dbraw/zinc/21/71/92/366217192.db2.gz UYHZDOBQMKZNLX-HNNXBMFYSA-N 0 3 260.337 2.360 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000170863690 188699319 /nfs/dbraw/zinc/69/93/19/188699319.db2.gz HWWGILIOTGOAIQ-GFCCVEGCSA-N 0 3 286.297 2.482 10 0 CEAEHN CN1C[C@H](NCc2cccc(F)c2F)C(C)(C)C1 ZINC000675075841 540116790 /nfs/dbraw/zinc/11/67/90/540116790.db2.gz SIUPZRKGBZWROJ-LBPRGKRZSA-N 0 3 254.324 2.395 10 0 CEAEHN CC(C)NCC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037609974 540153859 /nfs/dbraw/zinc/15/38/59/540153859.db2.gz KAZGFXZLNUUXCL-VIFPVBQESA-N 0 3 256.296 2.140 10 0 CEAEHN CCC[C@@H]1C[C@@H]1NCc1ccc2c(c1)NC(=O)CO2 ZINC000293763586 198763233 /nfs/dbraw/zinc/76/32/33/198763233.db2.gz ZFIZJPPRMPBWQF-NEPJUHHUSA-N 0 3 260.337 2.296 10 0 CEAEHN C[C@H]1CC[C@H](NC(=O)NCCN(C)C)c2ccccc21 ZINC000133936323 366268327 /nfs/dbraw/zinc/26/83/27/366268327.db2.gz MCSHOGGWSQWFEU-WFASDCNBSA-N 0 3 275.396 2.486 10 0 CEAEHN COc1c(CNCCc2ccccc2C)c(C)nn1C ZINC000134103038 366286472 /nfs/dbraw/zinc/28/64/72/366286472.db2.gz HGROBQFDSBAEJY-UHFFFAOYSA-N 0 3 273.380 2.378 10 0 CEAEHN N[C@@]1(c2cncs2)CCN(Cc2ccccc2)C1 ZINC000575456992 366290566 /nfs/dbraw/zinc/29/05/66/366290566.db2.gz YNPGYNXDVCXZRB-AWEZNQCLSA-N 0 3 259.378 2.203 10 0 CEAEHN CCN(CC)c1ncc(CN[C@H]2CCO[C@H]2C)s1 ZINC000134246127 366303297 /nfs/dbraw/zinc/30/32/97/366303297.db2.gz HGIHNUWONCEVLY-JQWIXIFHSA-N 0 3 269.414 2.256 10 0 CEAEHN CCc1cc(OC)c(CN)cc1I ZINC000575724660 366348199 /nfs/dbraw/zinc/34/81/99/366348199.db2.gz ARHNHSBAEUHDQG-UHFFFAOYSA-N 0 3 291.132 2.321 10 0 CEAEHN OCC[C@H]1CCC[C@H]1NCc1nc2cccnc2s1 ZINC000329211031 202234225 /nfs/dbraw/zinc/23/42/25/202234225.db2.gz YZXVIFVALJEABD-GHMZBOCLSA-N 0 3 277.393 2.332 10 0 CEAEHN Cc1cc(CN(C)C(=O)N[C@H](CC(C)C)CN(C)C)no1 ZINC000079495606 363608803 /nfs/dbraw/zinc/60/88/03/363608803.db2.gz WVBUUTZBGWFCCZ-CYBMUJFWSA-N 0 3 296.415 2.101 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc(Cl)nc1)N(C)C ZINC000136832877 366526920 /nfs/dbraw/zinc/52/69/20/366526920.db2.gz GEHKRHIDTRASJO-LLVKDONJSA-N 0 3 269.776 2.082 10 0 CEAEHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)C(=O)Nc1ccccc1 ZINC000667859526 540524715 /nfs/dbraw/zinc/52/47/15/540524715.db2.gz RJHWBSTYWFMUSN-GLQYFDAESA-N 0 3 274.364 2.171 10 0 CEAEHN CCc1ccc([C@@H](C)NC[C@H](O)CN2CCCCC2)o1 ZINC000151349862 366641077 /nfs/dbraw/zinc/64/10/77/366641077.db2.gz DLFIOUXKJAOLPH-KGLIPLIRSA-N 0 3 280.412 2.339 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCCc2cnccn2)c1C ZINC000341900001 216144408 /nfs/dbraw/zinc/14/44/08/216144408.db2.gz WPQDEQQNOPQBAO-NSHDSACASA-N 0 3 273.384 2.203 10 0 CEAEHN Cc1scc(C(=O)N2CC[C@@H](N(C)C)C2)c1C ZINC000179903772 189227005 /nfs/dbraw/zinc/22/70/05/189227005.db2.gz FOYNTCAUCVJMNE-LLVKDONJSA-N 0 3 252.383 2.141 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000152198915 366693237 /nfs/dbraw/zinc/69/32/37/366693237.db2.gz FLOYVYJGRAREQC-SNVBAGLBSA-N 0 3 270.735 2.255 10 0 CEAEHN CCC(CC)CN1CCO[C@H](Cn2cccn2)C1 ZINC000153910961 366744211 /nfs/dbraw/zinc/74/42/11/366744211.db2.gz NBHGVSMVIBIFNU-AWEZNQCLSA-N 0 3 251.374 2.020 10 0 CEAEHN CCC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(C)C ZINC000153165399 366732930 /nfs/dbraw/zinc/73/29/30/366732930.db2.gz AZLIIGRMSKUEEV-OAHLLOKOSA-N 0 3 278.396 2.384 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H](C)CS(C)(=O)=O)cc1C ZINC000081902523 363747087 /nfs/dbraw/zinc/74/70/87/363747087.db2.gz UPAQBRVESXLUQA-STQMWFEESA-N 0 3 269.410 2.387 10 0 CEAEHN C[C@H]1CCCN(Cc2cc(N)cc3c2OCOC3)C1 ZINC000011568550 361360007 /nfs/dbraw/zinc/36/00/07/361360007.db2.gz BCMAMDBKOBPWDK-NSHDSACASA-N 0 3 262.353 2.367 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@H](O)c1ccccc1 ZINC000083704346 363785157 /nfs/dbraw/zinc/78/51/57/363785157.db2.gz NJNKXOZYLOKOLR-OIISXLGYSA-N 0 3 274.408 2.279 10 0 CEAEHN C[C@@H](O)CN1CCN(CCCc2cccc(F)c2)C[C@@H]1C ZINC000182750873 189334006 /nfs/dbraw/zinc/33/40/06/189334006.db2.gz RGILBWDXZCDZKE-LSDHHAIUSA-N 0 3 294.414 2.145 10 0 CEAEHN OC[C@@H]1CCCN1C[C@@H]1CCCN1c1ccncc1Cl ZINC000301696510 201145209 /nfs/dbraw/zinc/14/52/09/201145209.db2.gz BHJRCOABSICYDO-STQMWFEESA-N 0 3 295.814 2.161 10 0 CEAEHN Cc1ccnc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000184097771 189375884 /nfs/dbraw/zinc/37/58/84/189375884.db2.gz ZWMBRKPWGUBNKS-QWHCGFSZSA-N 0 3 276.384 2.240 10 0 CEAEHN c1ccc2c(c1)OC[C@](C1=NCCN1)(C1CCCC1)O2 ZINC000026004470 361634916 /nfs/dbraw/zinc/63/49/16/361634916.db2.gz KOJFJNVDBMKHLS-MRXNPFEDSA-N 0 3 272.348 2.389 10 0 CEAEHN CC(C)n1cncc1CN1CCC[C@H]1CCCO ZINC000090237137 364050348 /nfs/dbraw/zinc/05/03/48/364050348.db2.gz OTAUDLWXVKLNKM-ZDUSSCGKSA-N 0 3 251.374 2.201 10 0 CEAEHN Nc1ccccc1-c1nc(CCN2CCCCC2)no1 ZINC000095115795 364340559 /nfs/dbraw/zinc/34/05/59/364340559.db2.gz CVZXBPUIMODKPB-UHFFFAOYSA-N 0 3 272.352 2.347 10 0 CEAEHN CN(C)C[C@@H](NC(=O)Cc1ccccc1O)c1ccccc1 ZINC000101629549 364568929 /nfs/dbraw/zinc/56/89/29/364568929.db2.gz CJTNYIMFQWKQMU-MRXNPFEDSA-N 0 3 298.386 2.354 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)N(C)C ZINC000159231553 283790099 /nfs/dbraw/zinc/79/00/99/283790099.db2.gz LQCOFFZTYKKDFJ-ZIAGYGMSSA-N 0 3 282.428 2.325 10 0 CEAEHN COCC1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000112441402 364808561 /nfs/dbraw/zinc/80/85/61/364808561.db2.gz FHTMOQKEJXKGHB-OAHLLOKOSA-N 0 3 299.459 2.031 10 0 CEAEHN COc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000113228019 364877258 /nfs/dbraw/zinc/87/72/58/364877258.db2.gz ASZUIZMDQZIHNY-TZMCWYRMSA-N 0 3 274.364 2.004 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc2c1CCC2 ZINC000113229482 364878467 /nfs/dbraw/zinc/87/84/67/364878467.db2.gz QTAIQYXSEFZTBM-UKRRQHHQSA-N 0 3 284.403 2.484 10 0 CEAEHN C[C@H](CC(=O)N1CC[C@@H](N(C)C)C1)c1cccc(F)c1 ZINC000116190129 365041956 /nfs/dbraw/zinc/04/19/56/365041956.db2.gz MYCQPPMOXDNFGZ-IUODEOHRSA-N 0 3 278.371 2.482 10 0 CEAEHN Cn1cc([C@@H]2CCN(C[C@H](O)c3ccc(F)cc3)C2)cn1 ZINC000116319716 365051543 /nfs/dbraw/zinc/05/15/43/365051543.db2.gz NVGYVPOMCNUDMU-CJNGLKHVSA-N 0 3 289.354 2.082 10 0 CEAEHN CCCC[C@H](CC)CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117023274 365089028 /nfs/dbraw/zinc/08/90/28/365089028.db2.gz KYLKYCCORVSHRM-GJZGRUSLSA-N 0 3 299.459 2.175 10 0 CEAEHN CCOCCN1CCN(Cc2cccc(O)c2)C[C@H]1CC ZINC000121009145 365510935 /nfs/dbraw/zinc/51/09/35/365510935.db2.gz SKOOVGCXZVJGNR-MRXNPFEDSA-N 0 3 292.423 2.325 10 0 CEAEHN CCC[C@@H](C(=O)NCc1csc(CC)n1)N(C)C ZINC000162052600 367132876 /nfs/dbraw/zinc/13/28/76/367132876.db2.gz CBOZQFUFLDWPFZ-NSHDSACASA-N 0 3 269.414 2.052 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)Oc1ccccc1 ZINC000245438102 370820024 /nfs/dbraw/zinc/82/00/24/370820024.db2.gz XLQVCDRLLFCGQL-GJZGRUSLSA-N 0 3 290.407 2.397 10 0 CEAEHN COc1cc([C@@H]2C[C@@H](CO)CN(C)C2)c(OC)cc1C ZINC000169318766 367368221 /nfs/dbraw/zinc/36/82/21/367368221.db2.gz VJIMYMUYEJOURM-CHWSQXEVSA-N 0 3 279.380 2.040 10 0 CEAEHN C[Si](C)(C)CCOCn1nc(CN)c2cccnc21 ZINC000169806062 367371897 /nfs/dbraw/zinc/37/18/97/367371897.db2.gz WGVPNJNKBSIAPU-UHFFFAOYSA-N 0 3 278.432 2.202 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC[C@H](O)C(F)F)c1C ZINC000631697413 367489266 /nfs/dbraw/zinc/48/92/66/367489266.db2.gz LXVGLYYIEKONSC-KWQFWETISA-N 0 3 275.343 2.187 10 0 CEAEHN C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170854863 367430738 /nfs/dbraw/zinc/43/07/38/367430738.db2.gz LSEOTQVGWFRYLL-DOMZBBRYSA-N 0 3 278.371 2.167 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170861222 367432010 /nfs/dbraw/zinc/43/20/10/367432010.db2.gz HGTUINFQQRQLIL-UONOGXRCSA-N 0 3 275.396 2.402 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCCc2cccs2)C1 ZINC000170861037 367433075 /nfs/dbraw/zinc/43/30/75/367433075.db2.gz GLMDHOKWELPEJJ-GFCCVEGCSA-N 0 3 266.410 2.233 10 0 CEAEHN CCC1CCC(NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000171903140 367635716 /nfs/dbraw/zinc/63/57/16/367635716.db2.gz ZRUCXCWPZFNLBV-NRXISQOPSA-N 0 3 279.428 2.445 10 0 CEAEHN CCOCCN1CCN(CCc2cccnc2)C[C@H]1CC ZINC000172162414 367687488 /nfs/dbraw/zinc/68/74/88/367687488.db2.gz YOHJEVONYWKRJC-QGZVFWFLSA-N 0 3 291.439 2.057 10 0 CEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H]1C ZINC000245841946 370879276 /nfs/dbraw/zinc/87/92/76/370879276.db2.gz DQDHFAXRIKHJON-GZBFAFLISA-N 0 3 275.396 2.215 10 0 CEAEHN Cc1cccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1C ZINC000245808386 370875586 /nfs/dbraw/zinc/87/55/86/370875586.db2.gz YZWFFBWRMPTIMC-GJZGRUSLSA-N 0 3 276.424 2.190 10 0 CEAEHN C[C@H](NCCn1cncn1)c1ccc(F)c(Cl)c1 ZINC000358081700 370896226 /nfs/dbraw/zinc/89/62/26/370896226.db2.gz LLOQVPYLOIONMP-VIFPVBQESA-N 0 3 268.723 2.421 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000173905252 367957607 /nfs/dbraw/zinc/95/76/07/367957607.db2.gz VYGPIZZYFSMVGQ-AWEZNQCLSA-N 0 3 286.379 2.346 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)o1 ZINC000174628141 368048808 /nfs/dbraw/zinc/04/88/08/368048808.db2.gz JBHHPXKXNPPNPJ-NSHDSACASA-N 0 3 250.342 2.107 10 0 CEAEHN COCCCN(C)CCNC(=O)N[C@@H](C)c1cccs1 ZINC000174821961 368071357 /nfs/dbraw/zinc/07/13/57/368071357.db2.gz MRLPMYCOHKICBJ-LBPRGKRZSA-N 0 3 299.440 2.077 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1sccc1OC ZINC000174995335 368087957 /nfs/dbraw/zinc/08/79/57/368087957.db2.gz DSEGEHKKDOJSSF-VXGBXAGGSA-N 0 3 294.420 2.456 10 0 CEAEHN COc1cccc(/C(C)=C/C(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000175979357 368193533 /nfs/dbraw/zinc/19/35/33/368193533.db2.gz PXIOAKBTOXDFKA-VOMSXAGXSA-N 0 3 288.391 2.261 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1cccs1 ZINC000176984569 368256236 /nfs/dbraw/zinc/25/62/36/368256236.db2.gz ZSRVKOWHHHMZLE-GFCCVEGCSA-N 0 3 266.410 2.233 10 0 CEAEHN C[C@@H](NC[C@H](O)COC(C)(C)C)c1cccc(O)c1 ZINC000181575328 368471861 /nfs/dbraw/zinc/47/18/61/368471861.db2.gz XPSRQPWIHNPVOL-RISCZKNCSA-N 0 3 267.369 2.219 10 0 CEAEHN CN(C)C(=O)[C@H]1CCCN1CCCCC(=O)OC(C)(C)C ZINC000181536158 368468295 /nfs/dbraw/zinc/46/82/95/368468295.db2.gz CJNUOINMZWBZLZ-CYBMUJFWSA-N 0 3 298.427 2.051 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccc(Cl)cn1)N(C)C ZINC000182144322 368529438 /nfs/dbraw/zinc/52/94/38/368529438.db2.gz OLDVLVYZSQLDDH-GFCCVEGCSA-N 0 3 269.776 2.082 10 0 CEAEHN c1cn(CCCN2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000182910255 368598642 /nfs/dbraw/zinc/59/86/42/368598642.db2.gz RNQWOJHUCBKDPW-AWEZNQCLSA-N 0 3 259.357 2.224 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCC2(OC)CCCCC2)C1 ZINC000184679566 368710393 /nfs/dbraw/zinc/71/03/93/368710393.db2.gz WZEATCHRPFXTOQ-CQSZACIVSA-N 0 3 297.443 2.119 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000246166482 370919045 /nfs/dbraw/zinc/91/90/45/370919045.db2.gz BTDGIXBYCFABGV-KBMXLJTQSA-N 0 3 287.407 2.359 10 0 CEAEHN COc1c(CNCCCCCSC)c(C)nn1C ZINC000185161058 368758925 /nfs/dbraw/zinc/75/89/25/368758925.db2.gz AYWUPEVGRSGWKZ-UHFFFAOYSA-N 0 3 271.430 2.360 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@@H](CO)C(C)C)c1C ZINC000348297565 368990328 /nfs/dbraw/zinc/99/03/28/368990328.db2.gz ZQYULPRIXHCFRE-FZMZJTMJSA-N 0 3 267.417 2.435 10 0 CEAEHN COC[C@H](C)CN1CCN(c2nc3ccccc3o2)CC1 ZINC000187205950 369122475 /nfs/dbraw/zinc/12/24/75/369122475.db2.gz WYCYFDBBEBODEY-CYBMUJFWSA-N 0 3 289.379 2.232 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(F)c(OC)c2)C1 ZINC000164102128 541750778 /nfs/dbraw/zinc/75/07/78/541750778.db2.gz DPZGPXYKYBSKMJ-JSGCOSHPSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@H](c1cnccn1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188089642 369293060 /nfs/dbraw/zinc/29/30/60/369293060.db2.gz UEVHTAGCAXMWOH-BNOWGMLFSA-N 0 3 289.404 2.307 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1 ZINC000188222456 369321095 /nfs/dbraw/zinc/32/10/95/369321095.db2.gz NIRNXJNIXYFVGP-CQSZACIVSA-N 0 3 278.400 2.020 10 0 CEAEHN Cc1cccc(NC[C@@H]2CCN(CCOCC(F)F)C2)n1 ZINC000189367717 369506269 /nfs/dbraw/zinc/50/62/69/369506269.db2.gz OMPJCRKCHULPFV-ZDUSSCGKSA-N 0 3 299.365 2.406 10 0 CEAEHN CCCCOC[C@H](O)CN[C@@H](C)c1ccc(C)o1 ZINC000193241596 369909872 /nfs/dbraw/zinc/90/98/72/369909872.db2.gz GVXAVKNBJHSTPI-QWHCGFSZSA-N 0 3 255.358 2.416 10 0 CEAEHN CCN[C@@H](C)C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000637925131 370174641 /nfs/dbraw/zinc/17/46/41/370174641.db2.gz RDZQDRDLGSWCDD-SMDDNHRTSA-N 0 3 296.798 2.238 10 0 CEAEHN Cn1c(N)ncc1-c1cc(Br)cs1 ZINC000215785521 370181348 /nfs/dbraw/zinc/18/13/48/370181348.db2.gz RBZFXCKTSGSJRJ-UHFFFAOYSA-N 0 3 258.144 2.493 10 0 CEAEHN CC(C)CC[C@@H](N)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000637883336 370145450 /nfs/dbraw/zinc/14/54/50/370145450.db2.gz ONXPKBUAQXFKIZ-ZIAGYGMSSA-N 0 3 276.380 2.390 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000637886368 370147827 /nfs/dbraw/zinc/14/78/27/370147827.db2.gz JUTUKAIWACZJQD-DTWKUNHWSA-N 0 3 256.296 2.140 10 0 CEAEHN CC(C)(C)OC(=O)NCCN[C@H]1CCc2c1cccc2O ZINC000222094451 370248960 /nfs/dbraw/zinc/24/89/60/370248960.db2.gz BVGUUVXDJPRZKY-ZDUSSCGKSA-N 0 3 292.379 2.494 10 0 CEAEHN C[C@H](N)c1nc2ccn(C)c2cc1Br ZINC000216539793 370188558 /nfs/dbraw/zinc/18/85/58/370188558.db2.gz UTURCBLXOVRHBL-LURJTMIESA-N 0 3 254.131 2.356 10 0 CEAEHN C[C@H](O)CN1CCN(CCSc2ccccc2)C[C@@H]1C ZINC000246694443 370995693 /nfs/dbraw/zinc/99/56/93/370995693.db2.gz KIGFEWQDOHKEJB-GJZGRUSLSA-N 0 3 294.464 2.166 10 0 CEAEHN Cc1nnsc1CNCC1C[C@H](C)O[C@@H](C)C1 ZINC000639134404 371011634 /nfs/dbraw/zinc/01/16/34/371011634.db2.gz ADFZQCQRRDBYQY-IUCAKERBSA-N 0 3 255.387 2.140 10 0 CEAEHN CS[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246943758 371034851 /nfs/dbraw/zinc/03/48/51/371034851.db2.gz CJCOWOOXOSBHPH-MELADBBJSA-N 0 3 297.468 2.150 10 0 CEAEHN CCCCO[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCC)C1(C)C ZINC000246969664 371039429 /nfs/dbraw/zinc/03/94/29/371039429.db2.gz XTPGERIELNYMSV-YNEHKIRRSA-N 0 3 270.417 2.214 10 0 CEAEHN Cc1cccc([C@@H](C)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000247706816 371137978 /nfs/dbraw/zinc/13/79/78/371137978.db2.gz ZDEXUDHZQRPTTP-ZBFHGGJFSA-N 0 3 262.397 2.318 10 0 CEAEHN c1ccc2oc(CN3CCN4CCC[C@H]4C3)nc2c1 ZINC000247377835 371100377 /nfs/dbraw/zinc/10/03/77/371100377.db2.gz VMYRHRHHIPUKKM-LBPRGKRZSA-N 0 3 257.337 2.108 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccco2)C1 ZINC000247388617 371101369 /nfs/dbraw/zinc/10/13/69/371101369.db2.gz QFSUNDNDJKRYPS-GXTWGEPZSA-N 0 3 279.384 2.150 10 0 CEAEHN Cc1ccc(F)cc1CN1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000248005872 371155498 /nfs/dbraw/zinc/15/54/98/371155498.db2.gz BYOWABIPLBYZHN-HZPDHXFCSA-N 0 3 278.371 2.039 10 0 CEAEHN CC[C@H]1CN(CCc2ccccc2F)CCN1C[C@H](C)O ZINC000248985729 371279742 /nfs/dbraw/zinc/27/97/42/371279742.db2.gz JVYYDVIZWSWMAF-HOCLYGCPSA-N 0 3 294.414 2.145 10 0 CEAEHN OC[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1c1ccsc1 ZINC000249594676 371343544 /nfs/dbraw/zinc/34/35/44/371343544.db2.gz WKZQELAEBHJKMW-ZNMIVQPWSA-N 0 3 281.421 2.325 10 0 CEAEHN CCn1cncc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250330376 371382593 /nfs/dbraw/zinc/38/25/93/371382593.db2.gz DOFHJCFAGZSFRS-ZFWWWQNUSA-N 0 3 263.385 2.030 10 0 CEAEHN O[C@H](CN1CCN2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000250509917 371385454 /nfs/dbraw/zinc/38/54/54/371385454.db2.gz OYICYUWTXINQBW-LSDHHAIUSA-N 0 3 286.375 2.246 10 0 CEAEHN CCc1ccc([C@@H](C)NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000236954653 189855108 /nfs/dbraw/zinc/85/51/08/189855108.db2.gz UFKWZWPBVFILQA-CJNGLKHVSA-N 0 3 290.407 2.195 10 0 CEAEHN Cc1nnc(NC[C@H]2NCCc3ccccc32)s1 ZINC000261563051 371649770 /nfs/dbraw/zinc/64/97/70/371649770.db2.gz GUCOOJAIZYFRPI-GFCCVEGCSA-N 0 3 260.366 2.145 10 0 CEAEHN CO[C@@H](C)c1cccc(NC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261745361 371717502 /nfs/dbraw/zinc/71/75/02/371717502.db2.gz DNTOALKKPWZGBI-NHYWBVRUSA-N 0 3 292.379 2.086 10 0 CEAEHN CC[C@H](NC(=O)C1(N)CCOCC1)c1ccc(F)cc1F ZINC000261758323 371721864 /nfs/dbraw/zinc/72/18/64/371721864.db2.gz FQVMHKBIZRFSLU-ZDUSSCGKSA-N 0 3 298.333 2.040 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000262653176 371890953 /nfs/dbraw/zinc/89/09/53/371890953.db2.gz SJWWZUYYHFQWGL-GXFFZTMASA-N 0 3 272.352 2.389 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cccc(SC)c2)CCCN1 ZINC000643614516 373220905 /nfs/dbraw/zinc/22/09/05/373220905.db2.gz APBMWNIQHIUPAP-CQSZACIVSA-N 0 3 280.393 2.116 10 0 CEAEHN COC[C@]1(C(=O)Nc2cccc(Cl)c2)CCCN1 ZINC000643614590 373221259 /nfs/dbraw/zinc/22/12/59/373221259.db2.gz DASDUAUAMNOUTR-ZDUSSCGKSA-N 0 3 268.744 2.047 10 0 CEAEHN CC1(C)CN[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000645300091 373976149 /nfs/dbraw/zinc/97/61/49/373976149.db2.gz UJWIBMXYXQFBLJ-UDNWOFFPSA-N 0 3 278.318 2.222 10 0 CEAEHN COc1cc(C)c(CN2CCC[C@@H](O)[C@H]2C)cc1OC ZINC000384927623 375222953 /nfs/dbraw/zinc/22/29/53/375222953.db2.gz RYZPSFNDPZCZBK-TZMCWYRMSA-N 0 3 279.380 2.357 10 0 CEAEHN CCN1CC[C@H](NCc2nn(CC)c3ccccc23)C1 ZINC000389208861 375300948 /nfs/dbraw/zinc/30/09/48/375300948.db2.gz BGTZUEPUWUYTFQ-ZDUSSCGKSA-N 0 3 272.396 2.240 10 0 CEAEHN CCN1CC[C@@H](NC(=O)c2ccc(Br)cc2)C1 ZINC000389813124 375307480 /nfs/dbraw/zinc/30/74/80/375307480.db2.gz LHGTXOPBYLFCNE-GFCCVEGCSA-N 0 3 297.196 2.273 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](N)[C@@H](F)C2)C1 ZINC000261508343 190040245 /nfs/dbraw/zinc/04/02/45/190040245.db2.gz RMLUGCZJYTXPOU-OUJBWJOFSA-N 0 3 258.337 2.073 10 0 CEAEHN c1nc2n(n1)CCC[C@@H]2N[C@H]1CCc2cccnc2CC1 ZINC000333730482 377840049 /nfs/dbraw/zinc/84/00/49/377840049.db2.gz KWIWQTFOXOGHPU-ZFWWWQNUSA-N 0 3 283.379 2.045 10 0 CEAEHN Cc1cnc(CCN2CCN3CCCC[C@@H]3C2)c(C)c1 ZINC000567497429 377830364 /nfs/dbraw/zinc/83/03/64/377830364.db2.gz WKVYKCMGSHPKMH-MRXNPFEDSA-N 0 3 273.424 2.411 10 0 CEAEHN COc1c(CNCCCC(C)(F)F)c(C)nn1C ZINC000295981918 378379456 /nfs/dbraw/zinc/37/94/56/378379456.db2.gz JOOMXEHXDQSAQC-UHFFFAOYSA-N 0 3 261.316 2.262 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@@H](C)CS(C)(=O)=O)cc1F ZINC000181363938 542273039 /nfs/dbraw/zinc/27/30/39/542273039.db2.gz YKJDVYWUJTUWMT-PWSUYJOCSA-N 0 3 287.400 2.465 10 0 CEAEHN COc1cc(OC)c(CN[C@@H]2CCC[C@@H](O)C2)c(OC)c1 ZINC000037163955 542278722 /nfs/dbraw/zinc/27/87/22/542278722.db2.gz BOAZBJFOMVFBNQ-VXGBXAGGSA-N 0 3 295.379 2.106 10 0 CEAEHN COc1cc(OC)c(CN[C@@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000037163951 542278776 /nfs/dbraw/zinc/27/87/76/542278776.db2.gz BOAZBJFOMVFBNQ-NEPJUHHUSA-N 0 3 295.379 2.106 10 0 CEAEHN CNC(=O)[C@H](NCCc1ccccc1Cl)C(C)C ZINC000183664359 542294055 /nfs/dbraw/zinc/29/40/55/542294055.db2.gz CKZMCIBUZBBFQD-CYBMUJFWSA-N 0 3 268.788 2.243 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1coc(C2CCC2)n1 ZINC000192572327 542349360 /nfs/dbraw/zinc/34/93/60/542349360.db2.gz HASSGJFRORHGTE-DGCLKSJQSA-N 0 3 289.379 2.251 10 0 CEAEHN CCCN(C1CC1)S(=O)(=O)c1ccc(C)c(CNC)c1 ZINC000088946131 184615333 /nfs/dbraw/zinc/61/53/33/184615333.db2.gz HIUSQWAEDIYXOW-UHFFFAOYSA-N 0 3 296.436 2.278 10 0 CEAEHN O=C1NCCC[C@H]1CN1CCSC2(CCCCC2)C1 ZINC000334519995 296370351 /nfs/dbraw/zinc/37/03/51/296370351.db2.gz UNLICLXKGUHRMG-ZDUSSCGKSA-N 0 3 282.453 2.264 10 0 CEAEHN CCN[C@H](C)[C@@H](C)S(=O)(=O)c1cc(F)ccc1F ZINC000081945948 177906753 /nfs/dbraw/zinc/90/67/53/177906753.db2.gz MARVMMYXUPROTK-RKDXNWHRSA-N 0 3 277.336 2.125 10 0 CEAEHN CCC[C@@H]1CC[C@@H](N)[C@H](S(=O)(=O)CC(C)C)C1 ZINC000081928422 177900455 /nfs/dbraw/zinc/90/04/55/177900455.db2.gz OWAKTBWAMOIHJA-JHJVBQTASA-N 0 3 261.431 2.353 10 0 CEAEHN CCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000081923251 177896673 /nfs/dbraw/zinc/89/66/73/177896673.db2.gz JTMVFHFEVJEHNY-HUUCEWRRSA-N 0 3 297.420 2.390 10 0 CEAEHN Cc1cccc(CS[C@@H]2CCC[C@@](N)(C(N)=O)C2)c1 ZINC000093779422 184720529 /nfs/dbraw/zinc/72/05/29/184720529.db2.gz HZKHPUCAXICVLP-HIFRSBDPSA-N 0 3 278.421 2.354 10 0 CEAEHN Cc1ccccc1CS[C@H]1CCC[C@](N)(C(N)=O)C1 ZINC000093779389 184720540 /nfs/dbraw/zinc/72/05/40/184720540.db2.gz RDKZLSUOENHBPN-DZGCQCFKSA-N 0 3 278.421 2.354 10 0 CEAEHN CC[C@](C)(N)C(=O)N(C)Cc1ccc(F)cc1F ZINC000094234650 184767525 /nfs/dbraw/zinc/76/75/25/184767525.db2.gz KHCAJGLVKDHXFU-ZDUSSCGKSA-N 0 3 256.296 2.051 10 0 CEAEHN CCCN[C@H](c1cccnc1)[C@H]1CSCCO1 ZINC000094504860 184812219 /nfs/dbraw/zinc/81/22/19/184812219.db2.gz ZGBPGTXGVGPKGV-CHWSQXEVSA-N 0 3 252.383 2.254 10 0 CEAEHN CN[C@@H]1COC[C@H]1C(=O)N(CCC(C)C)C1CCCC1 ZINC000094847865 184880562 /nfs/dbraw/zinc/88/05/62/184880562.db2.gz NVOYFKBXQYCNKZ-HUUCEWRRSA-N 0 3 282.428 2.038 10 0 CEAEHN C[C@H](NC[C@@H](O)c1cc(F)ccc1F)[C@H]1CCCO1 ZINC000249688072 131123000 /nfs/dbraw/zinc/12/30/00/131123000.db2.gz SULPWUCLMQMXSY-CUOATXAZSA-N 0 3 271.307 2.155 10 0 CEAEHN Cc1cc2ncc([C@H](C)N[C@H]3CCO[C@H]3C)c(C)n2n1 ZINC000250918609 131127071 /nfs/dbraw/zinc/12/70/71/131127071.db2.gz KKFIFJUKSBCVFG-JKOKRWQUSA-N 0 3 274.368 2.174 10 0 CEAEHN CSCC[C@H](N)C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262581454 131235895 /nfs/dbraw/zinc/23/58/95/131235895.db2.gz QXMZIDSHLBWFKH-AWEZNQCLSA-N 0 3 292.448 2.387 10 0 CEAEHN CCC[C@](C)(N)C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000262646665 131246529 /nfs/dbraw/zinc/24/65/29/131246529.db2.gz SEXHYXUDIAKBDJ-YWZLYKJASA-N 0 3 296.436 2.330 10 0 CEAEHN C[C@H]1CNCCN1c1cccc(OC(F)(F)F)c1 ZINC000083433808 135020954 /nfs/dbraw/zinc/02/09/54/135020954.db2.gz QUOYVEJEUPZDIT-VIFPVBQESA-N 0 3 260.259 2.383 10 0 CEAEHN COc1ccc(OC)c(N2CCNC[C@H]2C(C)C)c1 ZINC000083479489 135023955 /nfs/dbraw/zinc/02/39/55/135023955.db2.gz MPXNQYAKHYGMMZ-AWEZNQCLSA-N 0 3 264.369 2.138 10 0 CEAEHN CCC(O)(CC)CN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000087014010 135049202 /nfs/dbraw/zinc/04/92/02/135049202.db2.gz QDWOAFAZZSRUMW-ZDUSSCGKSA-N 0 3 276.380 2.235 10 0 CEAEHN CC[C@@H]1CNCCN1c1cc(C(F)(F)F)ccn1 ZINC000090804654 135066067 /nfs/dbraw/zinc/06/60/67/135066067.db2.gz FXVDDOWPYAEEEQ-SNVBAGLBSA-N 0 3 259.275 2.289 10 0 CEAEHN CCCNCc1cncc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000091418847 135069508 /nfs/dbraw/zinc/06/95/08/135069508.db2.gz MILXMDZMTAHTQU-CHWSQXEVSA-N 0 3 262.401 2.459 10 0 CEAEHN C[C@@H]1CN(c2cccc(F)c2CN)CC(C)(C)O1 ZINC000093395397 135080505 /nfs/dbraw/zinc/08/05/05/135080505.db2.gz OSXYBZOUBCBERU-SNVBAGLBSA-N 0 3 252.333 2.288 10 0 CEAEHN C[C@@H]1C[C@@H]1NCc1cc(Br)ncc1F ZINC000306478818 394515987 /nfs/dbraw/zinc/51/59/87/394515987.db2.gz ZYEHWVFKYBQZEW-MUWHJKNJSA-N 0 3 259.122 2.481 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCc2cccc(F)c2)C1 ZINC000052502483 394557894 /nfs/dbraw/zinc/55/78/94/394557894.db2.gz ZBVKMGFACXEQIG-HNNXBMFYSA-N 0 3 293.386 2.152 10 0 CEAEHN O=C(/C=C\c1ccc(Cl)nc1)N1CCN2CCC[C@@H]2C1 ZINC000255893146 394592702 /nfs/dbraw/zinc/59/27/02/394592702.db2.gz GQTUNSUONWVEOX-RYWCDNDXSA-N 0 3 291.782 2.055 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cnc(C)s1 ZINC000247026100 394525629 /nfs/dbraw/zinc/52/56/29/394525629.db2.gz TUJYZDZBUOAZPD-NEPJUHHUSA-N 0 3 279.409 2.150 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(C)o1 ZINC000247067665 394526198 /nfs/dbraw/zinc/52/61/98/394526198.db2.gz XXCOUQDLMOIODY-STQMWFEESA-N 0 3 262.353 2.287 10 0 CEAEHN CCN1CCC[C@H](NC(=O)COc2ccc(Cl)cc2)C1 ZINC000048753496 394526381 /nfs/dbraw/zinc/52/63/81/394526381.db2.gz PIIVDVBGYAWLLI-ZDUSSCGKSA-N 0 3 296.798 2.319 10 0 CEAEHN CC[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000247165177 394527192 /nfs/dbraw/zinc/52/71/92/394527192.db2.gz KVNFPFKWWGWWSY-HZSPNIEDSA-N 0 3 267.417 2.301 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000262578101 394620326 /nfs/dbraw/zinc/62/03/26/394620326.db2.gz PJEJSJLQACQGLT-LOWDOPEQSA-N 0 3 270.417 2.070 10 0 CEAEHN CC(C)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105918199 394722943 /nfs/dbraw/zinc/72/29/43/394722943.db2.gz JNPCMWORFJSYNE-CYBMUJFWSA-N 0 3 268.426 2.462 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2Cc3ccccc3C2)[C@@H](C)C1 ZINC000132348859 394929502 /nfs/dbraw/zinc/92/95/02/394929502.db2.gz URYRRRQKMMSWHJ-BBRMVZONSA-N 0 3 287.407 2.441 10 0 CEAEHN CN(C)C[C@@H]1CN([C@@H]2CCCc3ccccc32)CCO1 ZINC000151019912 394975089 /nfs/dbraw/zinc/97/50/89/394975089.db2.gz MSWFIYXIJHHBSX-NVXWUHKLSA-N 0 3 274.408 2.326 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCc3ccccc32)[C@@H](C)C1 ZINC000164408068 395085383 /nfs/dbraw/zinc/08/53/83/395085383.db2.gz QMRPKXHAZHGVFG-ZFWWWQNUSA-N 0 3 287.407 2.487 10 0 CEAEHN CC(C)N1CCC[C@H](N2CC[C@]3(O)CCCC[C@@H]3C2)C1=O ZINC000178692654 395172216 /nfs/dbraw/zinc/17/22/16/395172216.db2.gz AMOLIRULAJVDIG-HLLBOEOZSA-N 0 3 294.439 2.013 10 0 CEAEHN CC1=CCC[C@H](C)[C@@H]1CN1CCO[C@H](CN(C)C)C1 ZINC000186417125 395290705 /nfs/dbraw/zinc/29/07/05/395290705.db2.gz QRSGFNURBZLDDG-ARFHVFGLSA-N 0 3 266.429 2.241 10 0 CEAEHN COc1c(C)cnc(CN(C)[C@H]2CCC[C@H]2O)c1C ZINC000352667473 395264328 /nfs/dbraw/zinc/26/43/28/395264328.db2.gz KOTKLQQPRPRGSH-UONOGXRCSA-N 0 3 264.369 2.052 10 0 CEAEHN CCOCCCNC(=O)[C@@H](C)N[C@@H](C)c1cccs1 ZINC000192588069 395387881 /nfs/dbraw/zinc/38/78/81/395387881.db2.gz AMPQHLOZDJAMLU-NWDGAFQWSA-N 0 3 284.425 2.330 10 0 CEAEHN CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000194492332 395439167 /nfs/dbraw/zinc/43/91/67/395439167.db2.gz HCVCJNFTMCZDGD-RWMBFGLXSA-N 0 3 255.406 2.205 10 0 CEAEHN CCCC1(CNC(=O)N2CC[C@H](N(C)C)C2)CCC1 ZINC000155285643 289170406 /nfs/dbraw/zinc/17/04/06/289170406.db2.gz FTIYYLHSWAUVMW-ZDUSSCGKSA-N 0 3 267.417 2.302 10 0 CEAEHN CNC(=O)c1cc(NC(=O)[C@H](N)CC(C)C)ccc1Cl ZINC000037767858 400118763 /nfs/dbraw/zinc/11/87/63/400118763.db2.gz KTUQTFHDGNBUFC-GFCCVEGCSA-N 0 3 297.786 2.012 10 0 CEAEHN CC(C)(N)c1cn(CCCCC2CCOCC2)nn1 ZINC000388625947 400533049 /nfs/dbraw/zinc/53/30/49/400533049.db2.gz GWMCMAZUAONBMM-UHFFFAOYSA-N 0 3 266.389 2.069 10 0 CEAEHN O[C@@H]1CCC[C@H](CN2CCN(Cc3ccccc3)CC2)C1 ZINC000390814345 400542116 /nfs/dbraw/zinc/54/21/16/400542116.db2.gz GOYRIBZYKZDGRD-ZWKOTPCHSA-N 0 3 288.435 2.355 10 0 CEAEHN Cc1ccc(NC(=O)c2ccc3c(c2)CNC3)nc1 ZINC000130998831 292159897 /nfs/dbraw/zinc/15/98/97/292159897.db2.gz RKMFHEFFPLJMMY-UHFFFAOYSA-N 0 3 253.305 2.246 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(CCOCC(F)F)C1 ZINC000189218265 153087368 /nfs/dbraw/zinc/08/73/68/153087368.db2.gz XUONCZIQADDXBY-LBPRGKRZSA-N 0 3 287.354 2.364 10 0 CEAEHN O[C@H](CC1CCCC1)CN1CC[C@H](Oc2cccnc2)C1 ZINC000190737492 153143023 /nfs/dbraw/zinc/14/30/23/153143023.db2.gz TWAMATJFPLWZNB-WBVHZDCISA-N 0 3 290.407 2.476 10 0 CEAEHN Cc1cc2ccccc2n1CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000195320819 153282507 /nfs/dbraw/zinc/28/25/07/153282507.db2.gz PCLKWHCKLBMFGL-MRXNPFEDSA-N 0 3 297.402 2.256 10 0 CEAEHN O=C(COc1ccc(Cl)cc1)N1CCN2CCC[C@@H]2C1 ZINC000195314942 153283413 /nfs/dbraw/zinc/28/34/13/153283413.db2.gz LRECNMHWTIWTOO-CYBMUJFWSA-N 0 3 294.782 2.025 10 0 CEAEHN O=C(COc1ccccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000195315248 153283485 /nfs/dbraw/zinc/28/34/85/153283485.db2.gz JAFRWOKOHDDUGY-GFCCVEGCSA-N 0 3 294.782 2.025 10 0 CEAEHN O=C(c1ccc(C(F)(F)F)nc1)N1CCN2CCC[C@H]2C1 ZINC000195326723 153283976 /nfs/dbraw/zinc/28/39/76/153283976.db2.gz JGFVZMDQIIEHET-NSHDSACASA-N 0 3 299.296 2.021 10 0 CEAEHN OCC[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000227573835 153345684 /nfs/dbraw/zinc/34/56/84/153345684.db2.gz KPTNUENQYFDCCV-ZDUSSCGKSA-N 0 3 256.349 2.439 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1ncc(C)o1 ZINC000227599883 153346842 /nfs/dbraw/zinc/34/68/42/153346842.db2.gz HSADSDHVRINEGB-UONOGXRCSA-N 0 3 263.385 2.432 10 0 CEAEHN CCC1CCC([NH2+]C2CC(N(CC)CC(=O)[O-])C2)CC1 ZINC000263508236 154106291 /nfs/dbraw/zinc/10/62/91/154106291.db2.gz MNLUTLCBPURCHB-UHFFFAOYSA-N 0 3 282.428 2.482 10 0 CEAEHN CCC1CCC(NC2CC([N@H+](CC)CC(=O)[O-])C2)CC1 ZINC000263508236 154106294 /nfs/dbraw/zinc/10/62/94/154106294.db2.gz MNLUTLCBPURCHB-UHFFFAOYSA-N 0 3 282.428 2.482 10 0 CEAEHN CCC1CCC(NC2CC([N@@H+](CC)CC(=O)[O-])C2)CC1 ZINC000263508236 154106300 /nfs/dbraw/zinc/10/63/00/154106300.db2.gz MNLUTLCBPURCHB-UHFFFAOYSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@@H]1CC[C@@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531662 154116882 /nfs/dbraw/zinc/11/68/82/154116882.db2.gz WVHRSVYKBWQMES-URGYJCLVSA-N 0 3 280.412 2.092 10 0 CEAEHN CC[C@@H]1CC[C@@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531662 154116887 /nfs/dbraw/zinc/11/68/87/154116887.db2.gz WVHRSVYKBWQMES-URGYJCLVSA-N 0 3 280.412 2.092 10 0 CEAEHN CC[C@@H](C)[C@@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263532972 154117562 /nfs/dbraw/zinc/11/75/62/154117562.db2.gz XOACYMUASSSICL-HGWMRPEMSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@@H](C)[C@@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532972 154117568 /nfs/dbraw/zinc/11/75/68/154117568.db2.gz XOACYMUASSSICL-HGWMRPEMSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@@H](C)[C@@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532972 154117575 /nfs/dbraw/zinc/11/75/75/154117575.db2.gz XOACYMUASSSICL-HGWMRPEMSA-N 0 3 282.428 2.338 10 0 CEAEHN CS[C@@H]1CCC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000172341654 165056699 /nfs/dbraw/zinc/05/66/99/165056699.db2.gz CJCOWOOXOSBHPH-BFHYXJOUSA-N 0 3 297.468 2.150 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1cc(C)c(C(=O)OC)o1 ZINC000175335969 165132862 /nfs/dbraw/zinc/13/28/62/165132862.db2.gz MROKXLIBEQLXCQ-ZDUSSCGKSA-N 0 3 294.395 2.291 10 0 CEAEHN CC(C)CC1(CNC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000176539404 165167904 /nfs/dbraw/zinc/16/79/04/165167904.db2.gz WGFVKMCFIZIHIG-CQSZACIVSA-N 0 3 279.428 2.302 10 0 CEAEHN CCc1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177275101 165192348 /nfs/dbraw/zinc/19/23/48/165192348.db2.gz NXIHMIQEIZHTBY-CRAIPNDOSA-N 0 3 288.435 2.402 10 0 CEAEHN c1cnn(CCCCCN2CCN3CCCC[C@@H]3C2)c1 ZINC000177760812 165207197 /nfs/dbraw/zinc/20/71/97/165207197.db2.gz SSMFHYUKSVLUIH-MRXNPFEDSA-N 0 3 276.428 2.224 10 0 CEAEHN CCCC(O)(CCC)CC(=O)N1CCN2CCC[C@H]2C1 ZINC000178800487 165260710 /nfs/dbraw/zinc/26/07/10/165260710.db2.gz QMXORISPQKTKOD-AWEZNQCLSA-N 0 3 282.428 2.014 10 0 CEAEHN COc1cc([C@H](C)N[C@H]2CCc3ncnn3C2)ccc1F ZINC000180585386 165318118 /nfs/dbraw/zinc/31/81/18/165318118.db2.gz UULARGGWKLBEBI-JQWIXIFHSA-N 0 3 290.342 2.091 10 0 CEAEHN O=C(CCN1CCC[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000182304960 165368151 /nfs/dbraw/zinc/36/81/51/165368151.db2.gz JVIQUAAXMXISHG-HNNXBMFYSA-N 0 3 298.390 2.263 10 0 CEAEHN O=C(CSC1=NCCN1)C12CC3CC(CC(C3)C1)C2 ZINC000005494883 170104311 /nfs/dbraw/zinc/10/43/11/170104311.db2.gz NTZMATZQLMJFMT-UHFFFAOYSA-N 0 3 278.421 2.464 10 0 CEAEHN COCCOC[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000019395862 170783152 /nfs/dbraw/zinc/78/31/52/170783152.db2.gz DYWWGBWTEREEJH-NSHDSACASA-N 0 3 263.259 2.368 10 0 CEAEHN CCOCCO[C@H](C)[C@H](N)c1ccc(OC)cc1 ZINC000019403235 170785687 /nfs/dbraw/zinc/78/56/87/170785687.db2.gz GCKPUQSKFDHWDX-RISCZKNCSA-N 0 3 253.342 2.137 10 0 CEAEHN CC(C)(C)OC(=O)N[C@H](CN)c1ccc(F)cc1 ZINC000019420697 170792175 /nfs/dbraw/zinc/79/21/75/170792175.db2.gz SQWIBRSBKJQGBW-LLVKDONJSA-N 0 3 254.305 2.350 10 0 CEAEHN CC(C)OCCCN[C@H]1COc2cc(O)ccc21 ZINC000020198221 171061958 /nfs/dbraw/zinc/06/19/58/171061958.db2.gz MQDYOBZMPRFZHP-ZDUSSCGKSA-N 0 3 251.326 2.230 10 0 CEAEHN C=COCCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000020197482 171062152 /nfs/dbraw/zinc/06/21/52/171062152.db2.gz LUKYQPWKKXNXGD-GFCCVEGCSA-N 0 3 283.393 2.291 10 0 CEAEHN CCOc1ccc([C@H](CN)N2CCSCC2)cc1 ZINC000020257042 171111926 /nfs/dbraw/zinc/11/19/26/171111926.db2.gz JFMJRBHFDOCUAW-AWEZNQCLSA-N 0 3 266.410 2.134 10 0 CEAEHN CN(Cc1cccc(F)c1)[C@@H](CN)c1cccnc1 ZINC000020266542 171123673 /nfs/dbraw/zinc/12/36/73/171123673.db2.gz TYAKHERTACACPQ-HNNXBMFYSA-N 0 3 259.328 2.353 10 0 CEAEHN CN(Cc1cccc(F)c1)[C@H](CN)c1ccccn1 ZINC000020266509 171123684 /nfs/dbraw/zinc/12/36/84/171123684.db2.gz WVBHPSJTJNRXEK-OAHLLOKOSA-N 0 3 259.328 2.353 10 0 CEAEHN CN1CCNC[C@H]1c1ccc(Br)cc1 ZINC000020268362 171124423 /nfs/dbraw/zinc/12/44/23/171124423.db2.gz UFGAWLAIPNFFLI-NSHDSACASA-N 0 3 255.159 2.025 10 0 CEAEHN CCN(CC)[C@H](CN[C@@H](C)C(=O)N(C)C)c1ccccc1 ZINC000020310089 171144213 /nfs/dbraw/zinc/14/42/13/171144213.db2.gz MIOGQSKCSIKGEG-GOEBONIOSA-N 0 3 291.439 2.136 10 0 CEAEHN Nc1cc(Cl)ccc1N[C@H]1CN2CCC1CC2 ZINC000020383843 171174334 /nfs/dbraw/zinc/17/43/34/171174334.db2.gz GRYCEZVWCBPYIC-ZDUSSCGKSA-N 0 3 251.761 2.428 10 0 CEAEHN C[C@@H](N)c1ccccc1O[C@@H](C)C(=O)NC(C)(C)C ZINC000020419500 171184240 /nfs/dbraw/zinc/18/42/40/171184240.db2.gz MGWLKKFNKHJKKF-MNOVXSKESA-N 0 3 264.369 2.388 10 0 CEAEHN CCCCNC(=O)[C@H](C)Oc1ccccc1[C@@H](C)N ZINC000020419433 171184518 /nfs/dbraw/zinc/18/45/18/171184518.db2.gz UBRXHDOVQAESCQ-NEPJUHHUSA-N 0 3 264.369 2.390 10 0 CEAEHN Cc1nn(C)c(OCc2ccccc2Cl)c1CN ZINC000020469944 171211468 /nfs/dbraw/zinc/21/14/68/171211468.db2.gz NBAPUSZMZGUQGO-UHFFFAOYSA-N 0 3 265.744 2.420 10 0 CEAEHN COC(=O)C[C@H](N)c1ccccc1OC(F)(F)F ZINC000020577531 171256209 /nfs/dbraw/zinc/25/62/09/171256209.db2.gz AAEFXYVEHLWMPP-QMMMGPOBSA-N 0 3 263.215 2.148 10 0 CEAEHN CCCCNCc1cc(Cl)ccc1OCC(N)=O ZINC000020873307 171277465 /nfs/dbraw/zinc/27/74/65/171277465.db2.gz NLFNSBXYJFNXMD-UHFFFAOYSA-N 0 3 270.760 2.094 10 0 CEAEHN CCOc1cc([C@@H](CN)N(C)C)ccc1OC(F)F ZINC000022177380 171371312 /nfs/dbraw/zinc/37/13/12/171371312.db2.gz CZXOYEWFTAGHQX-SNVBAGLBSA-N 0 3 274.311 2.248 10 0 CEAEHN CCN1CCN([C@H](C(C)C)[C@H](N)c2ccccc2)CC1 ZINC000022566052 171391942 /nfs/dbraw/zinc/39/19/42/171391942.db2.gz NZGHQZYQSJCRKU-IAGOWNOFSA-N 0 3 275.440 2.349 10 0 CEAEHN CC(C)Oc1ccc([C@@H](N)CN2CCO[C@@H](C)C2)cc1 ZINC000022565098 171392117 /nfs/dbraw/zinc/39/21/17/171392117.db2.gz MJRJAMCBJJOHNL-BBRMVZONSA-N 0 3 278.396 2.194 10 0 CEAEHN CNCc1ccccc1Oc1ccccc1C(N)=O ZINC000034832243 171880685 /nfs/dbraw/zinc/88/06/85/171880685.db2.gz BOFHKHZZXMVKMK-UHFFFAOYSA-N 0 3 256.305 2.297 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)N[C@@H]1CCc2ccccc2C1 ZINC000035223332 172067654 /nfs/dbraw/zinc/06/76/54/172067654.db2.gz HNHQHSGKXAHTKQ-CZUORRHYSA-N 0 3 274.408 2.390 10 0 CEAEHN C[C@@H](N)c1ccc2ccccc2c1O[C@@H](C)C(N)=O ZINC000035427255 172194844 /nfs/dbraw/zinc/19/48/44/172194844.db2.gz PQENBEDAGNGBHA-ZJUUUORDSA-N 0 3 258.321 2.112 10 0 CEAEHN C[C@H]1C[C@H](C)CN(c2nc3sccn3c2CN)C1 ZINC000035429885 172198180 /nfs/dbraw/zinc/19/81/80/172198180.db2.gz MOFCYBDYLVKAFD-UWVGGRQHSA-N 0 3 264.398 2.337 10 0 CEAEHN NCc1c(-n2cnc3ccccc32)nc2sccn12 ZINC000035430413 172199200 /nfs/dbraw/zinc/19/92/00/172199200.db2.gz RQFANTYZCKVNFO-UHFFFAOYSA-N 0 3 269.333 2.193 10 0 CEAEHN C[C@@H](O)c1cc(F)ccc1N1CCCN(C)CC1 ZINC000035631489 172313760 /nfs/dbraw/zinc/31/37/60/172313760.db2.gz KEAHYIFFVMQNIW-LLVKDONJSA-N 0 3 252.333 2.021 10 0 CEAEHN CCCNC(=O)COc1c(Cl)cc(Cl)cc1CN ZINC000035661819 172339452 /nfs/dbraw/zinc/33/94/52/172339452.db2.gz OJKDSEILOHZXHS-UHFFFAOYSA-N 0 3 291.178 2.357 10 0 CEAEHN CN(C)CCN[C@H]1CCOc2ccc(Br)cc21 ZINC000037184128 173016386 /nfs/dbraw/zinc/01/63/86/173016386.db2.gz YHENGIPIHDXORF-LBPRGKRZSA-N 0 3 299.212 2.424 10 0 CEAEHN Nc1ccnn1[C@H]1CCCN(Cc2ccccc2)C1 ZINC000037325896 173126762 /nfs/dbraw/zinc/12/67/62/173126762.db2.gz OMEWSVXIFYTGBL-AWEZNQCLSA-N 0 3 256.353 2.302 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc3cc(Cl)ccc3n2C)C1 ZINC000037440322 173210334 /nfs/dbraw/zinc/21/03/34/173210334.db2.gz BNIWGQPZZFRNTG-MWLCHTKSSA-N 0 3 265.744 2.276 10 0 CEAEHN CCCOc1ccc([C@](C)(NC(C)C)C(N)=O)cc1 ZINC000037446510 173213268 /nfs/dbraw/zinc/21/32/68/173213268.db2.gz JUFLCSMZZQIUFS-HNNXBMFYSA-N 0 3 264.369 2.174 10 0 CEAEHN CCCN[C@@](C)(C(N)=O)c1ccc(OCCC)cc1 ZINC000037513832 173244954 /nfs/dbraw/zinc/24/49/54/173244954.db2.gz AZSGQQADNZQHRW-OAHLLOKOSA-N 0 3 264.369 2.176 10 0 CEAEHN CCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000037808326 173751720 /nfs/dbraw/zinc/75/17/20/173751720.db2.gz IQWXDBYMVOUAQT-DGCLKSJQSA-N 0 3 264.369 2.342 10 0 CEAEHN CCOc1ccc([C@](C)(N[C@@H](C)CC)C(N)=O)cc1 ZINC000038065533 174076190 /nfs/dbraw/zinc/07/61/90/174076190.db2.gz WQURQEBPGUJGLL-NHYWBVRUSA-N 0 3 264.369 2.174 10 0 CEAEHN CC[C@H](C)N[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000038065673 174077015 /nfs/dbraw/zinc/07/70/15/174077015.db2.gz VHFZWFXJVZSBQP-ZANVPECISA-N 0 3 254.761 2.429 10 0 CEAEHN COc1ccc2c(c1)[C@@H](NC[C@H](C)N(C)C)CCO2 ZINC000038087431 174099256 /nfs/dbraw/zinc/09/92/56/174099256.db2.gz FZHITJRFCFOYQA-FZMZJTMJSA-N 0 3 264.369 2.059 10 0 CEAEHN C[C@@H](CN[C@@H](c1cccs1)c1nccn1C)N(C)C ZINC000038087559 174099741 /nfs/dbraw/zinc/09/97/41/174099741.db2.gz YNFYFWSBPMHXCD-AAEUAGOBSA-N 0 3 278.425 2.111 10 0 CEAEHN CC(C)CCCN[C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000038093758 174107603 /nfs/dbraw/zinc/10/76/03/174107603.db2.gz CASYBVIETCMLSI-CYBMUJFWSA-N 0 3 266.385 2.082 10 0 CEAEHN COc1ccc([C@H](CO)NC2CC2)cc1Br ZINC000038124411 174131003 /nfs/dbraw/zinc/13/10/03/174131003.db2.gz AULBMAZACCXVAY-NSHDSACASA-N 0 3 286.169 2.243 10 0 CEAEHN CNCc1nc2cc(Cl)ccc2n1CCCOC ZINC000040402973 174253742 /nfs/dbraw/zinc/25/37/42/174253742.db2.gz DWSVYMCMOWHCPM-UHFFFAOYSA-N 0 3 267.760 2.446 10 0 CEAEHN C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1ccccc1F ZINC000040464179 174273203 /nfs/dbraw/zinc/27/32/03/174273203.db2.gz KCRBZPZSVWVYPY-JOYOIKCWSA-N 0 3 252.333 2.376 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)C2(N)CCCC2)s1 ZINC000040519123 174308558 /nfs/dbraw/zinc/30/85/58/174308558.db2.gz VMYFNVKBXALUIB-VIFPVBQESA-N 0 3 267.398 2.209 10 0 CEAEHN CCN(CC)[C@@H](CNC(=O)OC)c1ccc(OC)cc1 ZINC000040614925 174353488 /nfs/dbraw/zinc/35/34/88/174353488.db2.gz HYNBRAPKDMCOKB-AWEZNQCLSA-N 0 3 280.368 2.434 10 0 CEAEHN CC(C)NC(=O)[C@@H](C)NCc1cc2c(s1)CCC2 ZINC000040627238 174356777 /nfs/dbraw/zinc/35/67/77/174356777.db2.gz JXQQPAUJTAAMHA-SNVBAGLBSA-N 0 3 266.410 2.240 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000040630218 174357873 /nfs/dbraw/zinc/35/78/73/174357873.db2.gz PCJBEQJGCICIBL-MNOVXSKESA-N 0 3 289.162 2.309 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc(-c3ccc(C)s3)c[nH]2)C1 ZINC000040637791 174361646 /nfs/dbraw/zinc/36/16/46/174361646.db2.gz GAISLGUOGJXHNQ-UWVGGRQHSA-N 0 3 263.366 2.496 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc(-c3cc(C)oc3C)c[nH]2)C1 ZINC000040637752 174362125 /nfs/dbraw/zinc/36/21/25/174362125.db2.gz OSLFCXGPCYYEFM-CMPLNLGQSA-N 0 3 261.325 2.336 10 0 CEAEHN COC(=O)CCNCc1cccc(OC(C)C)c1 ZINC000040640221 174363794 /nfs/dbraw/zinc/36/37/94/174363794.db2.gz FCAJASRKQNNREQ-UHFFFAOYSA-N 0 3 251.326 2.127 10 0 CEAEHN CCOC1CCN([C@H](CN)c2cc(F)ccc2F)CC1 ZINC000040678573 174374606 /nfs/dbraw/zinc/37/46/06/174374606.db2.gz BFNIESIMAVRXTA-OAHLLOKOSA-N 0 3 284.350 2.466 10 0 CEAEHN CCOC1CCN([C@H](CN)c2ccc(F)c(F)c2)CC1 ZINC000040689110 174375933 /nfs/dbraw/zinc/37/59/33/174375933.db2.gz GAYXCGRGZCZRNP-OAHLLOKOSA-N 0 3 284.350 2.466 10 0 CEAEHN CCOC1CCN(C[C@@H](N)c2ccc(OC)cc2)CC1 ZINC000040689275 174376378 /nfs/dbraw/zinc/37/63/78/174376378.db2.gz RRXADBPGZYYKDZ-MRXNPFEDSA-N 0 3 278.396 2.196 10 0 CEAEHN Cc1cc(C)c(CN)c(Oc2ccc(CO)cc2)n1 ZINC000040710836 174381230 /nfs/dbraw/zinc/38/12/30/174381230.db2.gz TVEWPCBNNZJDDJ-UHFFFAOYSA-N 0 3 258.321 2.442 10 0 CEAEHN CN1CCC[C@@H](Nc2ccc(N)c3cnccc23)C1 ZINC000040715775 174382628 /nfs/dbraw/zinc/38/26/28/174382628.db2.gz DEGPAPMAOCBLBA-LLVKDONJSA-N 0 3 256.353 2.323 10 0 CEAEHN Cc1cc(=O)n(C[C@H](N)c2ccc(CC(C)C)cc2)cn1 ZINC000040728161 174387790 /nfs/dbraw/zinc/38/77/90/174387790.db2.gz NVMFBTPTGIWYFI-INIZCTEOSA-N 0 3 285.391 2.450 10 0 CEAEHN Fc1cccc(Cl)c1CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404276188 414779281 /nfs/dbraw/zinc/77/92/81/414779281.db2.gz RYNSSRZULIIXLR-KGLIPLIRSA-N 0 3 284.762 2.042 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@H](CN)C(F)(F)F)c(C)s1 ZINC000662977853 414816723 /nfs/dbraw/zinc/81/67/23/414816723.db2.gz MQACQOLCCHNAID-SECBINFHSA-N 0 3 280.315 2.327 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@H](CN)C(F)(F)F)c(F)c1 ZINC000662982216 414818705 /nfs/dbraw/zinc/81/87/05/414818705.db2.gz YCEPSMHOHBPADW-SNVBAGLBSA-N 0 3 278.249 2.096 10 0 CEAEHN CN(C(=O)C1CCC2(CC2)CC1)[C@H](CN)C(F)(F)F ZINC000662986504 414818886 /nfs/dbraw/zinc/81/88/86/414818886.db2.gz GMUXDPSGPCPMPO-SNVBAGLBSA-N 0 3 278.318 2.305 10 0 CEAEHN COc1ccc(F)cc1CN[C@@H]1CCC[C@H](O)C1 ZINC000310980735 414857260 /nfs/dbraw/zinc/85/72/60/414857260.db2.gz JQXVNTQWQMHNMN-OLZOCXBDSA-N 0 3 253.317 2.227 10 0 CEAEHN CCN([C@@H](CN)c1ccccc1OC)[C@@H](C)COC ZINC000042743731 174862985 /nfs/dbraw/zinc/86/29/85/174862985.db2.gz WPTGZUGCRFINDO-JSGCOSHPSA-N 0 3 266.385 2.052 10 0 CEAEHN COCc1nc(CNC[C@@H]2CCOC2(C)C)cs1 ZINC000657786224 415077192 /nfs/dbraw/zinc/07/71/92/415077192.db2.gz RHAVUZGZBSGDSP-JTQLQIEISA-N 0 3 270.398 2.194 10 0 CEAEHN COc1ccc(CNC2CC(CO)C2)cc1OC(F)F ZINC000657809016 415088269 /nfs/dbraw/zinc/08/82/69/415088269.db2.gz SCLCZGMFJIPJLZ-UHFFFAOYSA-N 0 3 287.306 2.157 10 0 CEAEHN Oc1ccc2c(c1)OC[C@H]2NCCOc1ccccc1 ZINC000042895243 174903392 /nfs/dbraw/zinc/90/33/92/174903392.db2.gz POHAZBBRGDNEAO-OAHLLOKOSA-N 0 3 271.316 2.494 10 0 CEAEHN NC[C@@H](c1ccc(Cl)s1)N1CCCC[C@@H]1CO ZINC000043253132 174994228 /nfs/dbraw/zinc/99/42/28/174994228.db2.gz MPWIZMVQXCJKQX-ZJUUUORDSA-N 0 3 274.817 2.248 10 0 CEAEHN CN[C@@H](c1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300636 175001406 /nfs/dbraw/zinc/00/14/06/175001406.db2.gz NIYFPKJKWMNLMQ-UKRRQHHQSA-N 0 3 281.421 2.307 10 0 CEAEHN CCCN[C@@H](c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000043301218 175002080 /nfs/dbraw/zinc/00/20/80/175002080.db2.gz YHHLZJAZOFEQEU-IUODEOHRSA-N 0 3 297.420 2.171 10 0 CEAEHN CCCN[C@H]1CCN(c2cccc(F)c2C)C1=O ZINC000043321324 175006063 /nfs/dbraw/zinc/00/60/63/175006063.db2.gz PSHFQSRYJFNIDG-LBPRGKRZSA-N 0 3 250.317 2.239 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccco1)N(CCOC)[C@@H](C)COC ZINC000043336207 175011693 /nfs/dbraw/zinc/01/16/93/175011693.db2.gz CMPPHGYFZYMJFC-YDHLFZDLSA-N 0 3 284.400 2.041 10 0 CEAEHN Cc1ccc([C@@H]([C@@H](C)N)N(C)CC(F)(F)F)o1 ZINC000043364512 175025541 /nfs/dbraw/zinc/02/55/41/175025541.db2.gz QGKQUQYIWJXEPX-PSASIEDQSA-N 0 3 250.264 2.470 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N1CCC(OC)CC1 ZINC000043890280 175118329 /nfs/dbraw/zinc/11/83/29/175118329.db2.gz CTCFTMJINUBHIK-RDJZCZTQSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@H](CN(C)C[C@@H]1CCCCO1)c1ccccc1OC ZINC000043966379 175127875 /nfs/dbraw/zinc/12/78/75/175127875.db2.gz ALDSHMCMMUNWLI-GOEBONIOSA-N 0 3 292.423 2.457 10 0 CEAEHN C[C@H]1CCCN(C(=O)[C@@H](CN)Cc2ccccc2)C1 ZINC000044796144 175254472 /nfs/dbraw/zinc/25/44/72/175254472.db2.gz VXSPHOWKJXWXLX-DZGCQCFKSA-N 0 3 260.381 2.063 10 0 CEAEHN C[C@H](NC(=O)[C@@H](CN)Cc1ccccc1)c1cccnc1 ZINC000044801098 175255677 /nfs/dbraw/zinc/25/56/77/175255677.db2.gz LFRCPOPBBSJRNC-XJKSGUPXSA-N 0 3 283.375 2.076 10 0 CEAEHN CC[C@H](NC(=O)[C@@H](CN)Cc1ccccc1)C(C)C ZINC000044805647 175256510 /nfs/dbraw/zinc/25/65/10/175256510.db2.gz BIASUXUJSWSVGR-CABCVRRESA-N 0 3 262.397 2.355 10 0 CEAEHN C[C@H](CN[C@@H](C)C(=O)N1CCCCCC1)N1CCCCC1 ZINC000044993356 175286523 /nfs/dbraw/zinc/28/65/23/175286523.db2.gz CCZHPQSAJIXUAR-CVEARBPZSA-N 0 3 295.471 2.242 10 0 CEAEHN CCN(CC(N)=S)Cc1cc(Cl)ccc1OC ZINC000045063219 175298924 /nfs/dbraw/zinc/29/89/24/175298924.db2.gz BYQUUKQXKNATLH-UHFFFAOYSA-N 0 3 272.801 2.457 10 0 CEAEHN Cc1nn(C)c(N2CCC[C@@H]2C2CCCC2)c1CN ZINC000045085521 175303658 /nfs/dbraw/zinc/30/36/58/175303658.db2.gz QMFWOODPMKNQNM-CQSZACIVSA-N 0 3 262.401 2.346 10 0 CEAEHN C[C@@H](N[C@H]1CC1(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000045116632 175311736 /nfs/dbraw/zinc/31/17/36/175311736.db2.gz UMKCSKOETFZFHV-RNCFNFMXSA-N 0 3 260.337 2.467 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)CN2CCCC2=O)c1C ZINC000045171756 175320985 /nfs/dbraw/zinc/32/09/85/175320985.db2.gz VBOXZPCDVZHBBL-NEPJUHHUSA-N 0 3 292.427 2.181 10 0 CEAEHN CCN(CC)C(=O)CCN[C@H](C)c1c(C)nn(CC)c1C ZINC000045171579 175321206 /nfs/dbraw/zinc/32/12/06/175321206.db2.gz QWUFYHNXRGYOAE-GFCCVEGCSA-N 0 3 294.443 2.429 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NCCN1CCCCC1 ZINC000045172595 175321505 /nfs/dbraw/zinc/32/15/05/175321505.db2.gz XQXGDCJDDUDSRD-GFCCVEGCSA-N 0 3 264.417 2.173 10 0 CEAEHN CCCNC(=O)CCN[C@@H](C)c1c(C)nn(CC)c1C ZINC000045172892 175322624 /nfs/dbraw/zinc/32/26/24/175322624.db2.gz USWOYTAOELHYBF-NSHDSACASA-N 0 3 280.416 2.087 10 0 CEAEHN CCN[C@](CN1CCC[C@@H]1C)(C(=O)OC)c1ccccc1 ZINC000045221485 175330750 /nfs/dbraw/zinc/33/07/50/175330750.db2.gz JJPZUZMDPQYLNC-YOEHRIQHSA-N 0 3 290.407 2.149 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231230 175335241 /nfs/dbraw/zinc/33/52/41/175335241.db2.gz XBMBCVZZZDPIBA-HNNXBMFYSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)N[C@@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231230 175335243 /nfs/dbraw/zinc/33/52/43/175335243.db2.gz XBMBCVZZZDPIBA-HNNXBMFYSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN(C)C1CCCCC1)C(=O)[O-] ZINC000045231230 175335244 /nfs/dbraw/zinc/33/52/44/175335244.db2.gz XBMBCVZZZDPIBA-HNNXBMFYSA-N 0 3 270.417 2.482 10 0 CEAEHN CC(C)[NH2+][C@@](C)(CCN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231869 175335539 /nfs/dbraw/zinc/33/55/39/175335539.db2.gz LKEWGKILKKBQLF-GUTXKFCHSA-N 0 3 270.417 2.481 10 0 CEAEHN COC(=O)[C@](C)(CN1[C@H](C)CCC[C@@H]1C)NC(C)C ZINC000045231811 175335607 /nfs/dbraw/zinc/33/56/07/175335607.db2.gz ABTYGCMWPSURCF-GUTXKFCHSA-N 0 3 270.417 2.179 10 0 CEAEHN CC[NH2+][C@@](C)(CCN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231854 175335774 /nfs/dbraw/zinc/33/57/74/175335774.db2.gz ALZZIFAZGISVAL-SCRDCRAPSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN[C@@](C)(CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231854 175335776 /nfs/dbraw/zinc/33/57/76/175335776.db2.gz ALZZIFAZGISVAL-SCRDCRAPSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231854 175335777 /nfs/dbraw/zinc/33/57/77/175335777.db2.gz ALZZIFAZGISVAL-SCRDCRAPSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCN(C[C@@](NCC)(C(N)=O)c1ccccc1)C(C)C ZINC000045266713 175338957 /nfs/dbraw/zinc/33/89/57/175338957.db2.gz ICWXHAHNZVSURI-KRWDZBQOSA-N 0 3 291.439 2.097 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](CCC)C(C)C)C(=O)[O-] ZINC000045266872 175339187 /nfs/dbraw/zinc/33/91/87/175339187.db2.gz LPUOQLDSHWUWLY-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](CCC)C(C)C)C(=O)[O-] ZINC000045266872 175339189 /nfs/dbraw/zinc/33/91/89/175339189.db2.gz LPUOQLDSHWUWLY-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(CCC)C(C)C)C(=O)[O-] ZINC000045266872 175339191 /nfs/dbraw/zinc/33/91/91/175339191.db2.gz LPUOQLDSHWUWLY-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCCCN(C)C[C@@](C)(NCC)C(=O)OCC ZINC000045268139 175340860 /nfs/dbraw/zinc/34/08/60/175340860.db2.gz OOFWTSDYNUIPAY-CQSZACIVSA-N 0 3 258.406 2.040 10 0 CEAEHN CCCN[C@](C)(CN(C)[C@@H](C)C1CC1)C(=O)OCC ZINC000045270266 175341398 /nfs/dbraw/zinc/34/13/98/175341398.db2.gz BEMLMNPBFUTURV-SWLSCSKDSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN[C@@](CN(C)CC1CC1)(C(=O)OC)c1ccccc1 ZINC000045272921 175343767 /nfs/dbraw/zinc/34/37/67/175343767.db2.gz ZMIKSIZSRYABCB-QGZVFWFLSA-N 0 3 290.407 2.006 10 0 CEAEHN CCOC(=O)[C@@](N)(CN(C)CC(C)(C)C)c1ccccc1 ZINC000045279301 175349674 /nfs/dbraw/zinc/34/96/74/175349674.db2.gz VAYRSTWTOUZQAN-QGZVFWFLSA-N 0 3 292.423 2.382 10 0 CEAEHN CC1CCC([N@H+](C)CC[C@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000045280586 175349900 /nfs/dbraw/zinc/34/99/00/175349900.db2.gz UTRCYLVHECOSAK-PXCJXSSVSA-N 0 3 282.428 2.482 10 0 CEAEHN CC1CCC([N@@H+](C)CC[C@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000045280586 175349902 /nfs/dbraw/zinc/34/99/02/175349902.db2.gz UTRCYLVHECOSAK-PXCJXSSVSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCCN(CCCC)C[C@H](NC(C)C)C(=O)OC ZINC000045380533 175369210 /nfs/dbraw/zinc/36/92/10/175369210.db2.gz PYQMCSCAFKUBID-AWEZNQCLSA-N 0 3 272.433 2.428 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000655526396 415327967 /nfs/dbraw/zinc/32/79/67/415327967.db2.gz PTSKQTVXLPERQJ-ONGXEEELSA-N 0 3 262.344 2.444 10 0 CEAEHN COc1ccc([C@@H](O)CN[C@H]2COc3ccccc32)cc1 ZINC000070529816 175972355 /nfs/dbraw/zinc/97/23/55/175972355.db2.gz CFSGQEISKWUFKO-HOTGVXAUSA-N 0 3 285.343 2.452 10 0 CEAEHN CC1(CN2CCC[C@@H](NC3CC3)C2=O)CCCC1 ZINC000071030976 176022078 /nfs/dbraw/zinc/02/20/78/176022078.db2.gz YSVSOARMDFROLR-CYBMUJFWSA-N 0 3 250.386 2.310 10 0 CEAEHN C[C@@H](c1ccc(F)cc1)N1CC[C@H](NC2CC2)C1=O ZINC000071032076 176023066 /nfs/dbraw/zinc/02/30/66/176023066.db2.gz AYTXKWMBKAMEGM-HZMBPMFUSA-N 0 3 262.328 2.240 10 0 CEAEHN Cc1c(F)cccc1N1CC[C@H](NC(C)C)C1=O ZINC000071031637 176023248 /nfs/dbraw/zinc/02/32/48/176023248.db2.gz ZXCZJZHGVHAKHV-LBPRGKRZSA-N 0 3 250.317 2.237 10 0 CEAEHN CCCc1ccccc1N1CC[C@@H](NC2CC2)C1=O ZINC000071035333 176025491 /nfs/dbraw/zinc/02/54/91/176025491.db2.gz DPZCEFMFEKTEBV-CQSZACIVSA-N 0 3 258.365 2.496 10 0 CEAEHN CC[C@@H]1CCC[C@H](Oc2c(C(=N)N)c(C)nn2C)C1 ZINC000071132590 176035963 /nfs/dbraw/zinc/03/59/63/176035963.db2.gz GQCHEKSCPPSZIQ-MNOVXSKESA-N 0 3 264.373 2.360 10 0 CEAEHN NC[C@H](Oc1cc(F)ccc1F)c1cccnc1 ZINC000071167303 176049596 /nfs/dbraw/zinc/04/95/96/176049596.db2.gz CEPIZYDJAPJLQX-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN CC(C)N(Cc1cccs1)c1cnc(CN)cn1 ZINC000071177933 176055520 /nfs/dbraw/zinc/05/55/20/176055520.db2.gz YRIDWEVACMZYAR-UHFFFAOYSA-N 0 3 262.382 2.412 10 0 CEAEHN C[C@H](N)c1ccc2ccccc2c1O[C@@H]1CCN(C)C1=O ZINC000071182980 176058094 /nfs/dbraw/zinc/05/80/94/176058094.db2.gz PGWOZFRWLPUNGT-XHDPSFHLSA-N 0 3 284.359 2.469 10 0 CEAEHN C[C@@H](N)c1ccc2ccccc2c1O[C@@H]1CCN(C)C1=O ZINC000071182981 176058145 /nfs/dbraw/zinc/05/81/45/176058145.db2.gz PGWOZFRWLPUNGT-IAQYHMDHSA-N 0 3 284.359 2.469 10 0 CEAEHN C[C@H]1CCC[C@@H]1N[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000071207039 176080579 /nfs/dbraw/zinc/08/05/79/176080579.db2.gz LQCRLCZCYSJLSB-FPMFFAJLSA-N 0 3 272.348 2.097 10 0 CEAEHN COc1ccc([C@H]2CNC[C@@H](C3CC3)O2)cc1OC ZINC000071308854 176116535 /nfs/dbraw/zinc/11/65/35/176116535.db2.gz QAVZBLLPYGUBNF-LSDHHAIUSA-N 0 3 263.337 2.143 10 0 CEAEHN CC[C@@H]1CCC[C@H](N2CCN(CC(C)(C)O)CC2)C1 ZINC000071382254 176145805 /nfs/dbraw/zinc/14/58/05/176145805.db2.gz YFLMLAQMBIOVSL-CABCVRRESA-N 0 3 268.445 2.344 10 0 CEAEHN CNCc1cc(C)ccc1O[C@@H](C)C(=O)N1CCCC1 ZINC000071403658 176154817 /nfs/dbraw/zinc/15/48/17/176154817.db2.gz MCHHFQKXQDXBNT-ZDUSSCGKSA-N 0 3 276.380 2.104 10 0 CEAEHN CCNCc1cc(C)ccc1OCCC(=O)NCC ZINC000071403881 176155547 /nfs/dbraw/zinc/15/55/47/176155547.db2.gz ZYFIZSMRWNRGMV-UHFFFAOYSA-N 0 3 264.369 2.010 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@H](C)C(=O)NC(C)C ZINC000071406061 176156035 /nfs/dbraw/zinc/15/60/35/176156035.db2.gz VWHAVWJPXFMHRV-CYBMUJFWSA-N 0 3 278.396 2.396 10 0 CEAEHN Cc1cc(Br)ccc1-n1cc(CN)cn1 ZINC000071598298 176222189 /nfs/dbraw/zinc/22/21/89/176222189.db2.gz UZIRFMZOGDZAEQ-UHFFFAOYSA-N 0 3 266.142 2.402 10 0 CEAEHN Brc1cccc(CC[C@@H]2COCCN2)c1 ZINC000071601291 176228056 /nfs/dbraw/zinc/22/80/56/176228056.db2.gz SIKCRMOQHUNADQ-GFCCVEGCSA-N 0 3 270.170 2.370 10 0 CEAEHN CN[C@@H](C)c1cn2c(cccc2Br)n1 ZINC000076792316 177097185 /nfs/dbraw/zinc/09/71/85/177097185.db2.gz YGNPXBPXJHTPNR-ZETCQYMHSA-N 0 3 254.131 2.377 10 0 CEAEHN COc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000078614324 177360362 /nfs/dbraw/zinc/36/03/62/177360362.db2.gz YRECOUKZGJJSKE-CQSZACIVSA-N 0 3 278.396 2.401 10 0 CEAEHN CC1(C)CCC(NS(=O)(=O)c2cccc(CN)c2)CC1 ZINC000079677412 177535416 /nfs/dbraw/zinc/53/54/16/177535416.db2.gz DUNHYECHUQGUPE-UHFFFAOYSA-N 0 3 296.436 2.392 10 0 CEAEHN COCc1nc(CNC[C@@H]2C[C@H](C)O[C@@H]2C)cs1 ZINC000666429313 419665437 /nfs/dbraw/zinc/66/54/37/419665437.db2.gz PKVCKTHNPNILBB-AXFHLTTASA-N 0 3 270.398 2.193 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCc2ccc(F)cc2)C1 ZINC000194311048 270295697 /nfs/dbraw/zinc/29/56/97/270295697.db2.gz LNFRFBZNCTUHTL-OAHLLOKOSA-N 0 3 293.386 2.152 10 0 CEAEHN Cn1cc(CNC(C)(C)CCNC(=O)OC(C)(C)C)cn1 ZINC000397466150 270353933 /nfs/dbraw/zinc/35/39/33/270353933.db2.gz ZPHVAWITOGCNBE-UHFFFAOYSA-N 0 3 296.415 2.203 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1ccc(F)c(F)c1 ZINC000398968269 270364910 /nfs/dbraw/zinc/36/49/10/270364910.db2.gz SWAWOFRMETZWRL-OQPBUACISA-N 0 3 268.307 2.269 10 0 CEAEHN CC1(C)CCCN[C@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000232946850 275816690 /nfs/dbraw/zinc/81/66/90/275816690.db2.gz AAKVQDQTWUXJCF-ZFWWWQNUSA-N 0 3 288.391 2.405 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177437551 276166546 /nfs/dbraw/zinc/16/65/46/276166546.db2.gz WUHKNNSBWYUASV-QLFBSQMISA-N 0 3 279.428 2.302 10 0 CEAEHN CCC[C@H](C(=O)N1CCS[C@H](C)CC1)N(C)C ZINC000191351974 276281543 /nfs/dbraw/zinc/28/15/43/276281543.db2.gz NORMHLMFZSHGKM-VXGBXAGGSA-N 0 3 258.431 2.071 10 0 CEAEHN CN(C)C[C@@H]1CN(c2ccc3ccccc3n2)CCO1 ZINC000264518715 276799291 /nfs/dbraw/zinc/79/92/91/276799291.db2.gz QDWJHVVTPAXUPH-CQSZACIVSA-N 0 3 271.364 2.002 10 0 CEAEHN CN1CCO[C@H](CN[C@H]2CCCc3cc(F)ccc32)C1 ZINC000246032387 277128304 /nfs/dbraw/zinc/12/83/04/277128304.db2.gz MDZOVQWQOVUZQG-ZBFHGGJFSA-N 0 3 278.371 2.123 10 0 CEAEHN CN1c2ccccc2[C@H](NC[C@@]2(C)CCCO2)CC1=O ZINC000094796887 277218854 /nfs/dbraw/zinc/21/88/54/277218854.db2.gz BSAJPVDQTKSVOI-CZUORRHYSA-N 0 3 274.364 2.253 10 0 CEAEHN COc1cc([C@H](NC2CCCCCC2)C(N)=O)ccc1O ZINC000037970621 277388723 /nfs/dbraw/zinc/38/87/23/277388723.db2.gz MYTPQKJLWGAYMK-HNNXBMFYSA-N 0 3 292.379 2.240 10 0 CEAEHN CC(C)c1nccnc1N[C@H](C)CN1CCCCC1 ZINC000413086529 278080342 /nfs/dbraw/zinc/08/03/42/278080342.db2.gz CSMLFJFHWLAMMU-CYBMUJFWSA-N 0 3 262.401 2.308 10 0 CEAEHN CC(C)c1nnc(CN2CCC(c3ccn[nH]3)CC2)n1C ZINC000195506999 278098738 /nfs/dbraw/zinc/09/87/38/278098738.db2.gz SKLWYPDUZBUDIZ-UHFFFAOYSA-N 0 3 288.399 2.041 10 0 CEAEHN CC1(C)CCC(NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000175444778 278198576 /nfs/dbraw/zinc/19/85/76/278198576.db2.gz XRRKTTQHVZTWPT-CQSZACIVSA-N 0 3 279.428 2.445 10 0 CEAEHN CC(C)(C(=O)N1CCN2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000172515796 278264523 /nfs/dbraw/zinc/26/45/23/278264523.db2.gz NSXHKRFTLALUFT-OAHLLOKOSA-N 0 3 290.382 2.410 10 0 CEAEHN CC(C)C[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000248905121 279086612 /nfs/dbraw/zinc/08/66/12/279086612.db2.gz UTWKAVUZQQZQBK-IHRRRGAJSA-N 0 3 252.402 2.364 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CC[C@@H]1CCCCO1 ZINC000110663420 279121900 /nfs/dbraw/zinc/12/19/00/279121900.db2.gz BOTMKPURXQEORX-CABCVRRESA-N 0 3 284.444 2.428 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@H](C)[C@H]1C ZINC000246679098 279125558 /nfs/dbraw/zinc/12/55/58/279125558.db2.gz DDDGOKCTWUMSTQ-BFHYXJOUSA-N 0 3 269.433 2.403 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185012842 279130835 /nfs/dbraw/zinc/13/08/35/279130835.db2.gz SXMCBMJCCGCCJD-MGPQQGTHSA-N 0 3 254.418 2.371 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000177696281 279328023 /nfs/dbraw/zinc/32/80/23/279328023.db2.gz YGIHLDPOYZUXKJ-HOTGVXAUSA-N 0 3 295.471 2.050 10 0 CEAEHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)N(C)Cc1ccccc1 ZINC000153954254 279343591 /nfs/dbraw/zinc/34/35/91/279343591.db2.gz HYWRTKJLCDOPMU-IIAWOOMASA-N 0 3 290.407 2.191 10 0 CEAEHN C[C@H](N[C@@H]1CCO[C@H]1C)c1nc2ccccc2n1C ZINC000134239379 279516282 /nfs/dbraw/zinc/51/62/82/279516282.db2.gz FHNXAELKQXDSMM-SDDRHHMPSA-N 0 3 259.353 2.401 10 0 CEAEHN CCC[C@H](C(=O)NCCc1ccsc1)N(C)C ZINC000179484701 280105894 /nfs/dbraw/zinc/10/58/94/280105894.db2.gz YLQHXHXREKHYRY-GFCCVEGCSA-N 0 3 254.399 2.137 10 0 CEAEHN C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000185820532 280126665 /nfs/dbraw/zinc/12/66/65/280126665.db2.gz REDOCUXSAAMBGR-CYBMUJFWSA-N 0 3 288.391 2.047 10 0 CEAEHN C[C@H]1C(=O)NCCCN1CC1CCC(C)(C)CC1 ZINC000189075246 280142850 /nfs/dbraw/zinc/14/28/50/280142850.db2.gz SEDWLDDBFNTZGK-LBPRGKRZSA-N 0 3 252.402 2.413 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H](C)[C@H](C)C2)C1 ZINC000245919178 280266333 /nfs/dbraw/zinc/26/63/33/280266333.db2.gz NOFMCDJKHDGRLF-KBUPBQIOSA-N 0 3 281.444 2.403 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@H]2CC[C@H](C)C2)C1 ZINC000246424295 280292828 /nfs/dbraw/zinc/29/28/28/280292828.db2.gz CUCJVDFUFKAKKB-IHRRRGAJSA-N 0 3 252.402 2.413 10 0 CEAEHN CCCCN(CCCC)C(=O)CN1CCN2CCC[C@H]2C1 ZINC000246791398 280310008 /nfs/dbraw/zinc/31/00/08/280310008.db2.gz ZZMQNFRGEJTKQW-INIZCTEOSA-N 0 3 295.471 2.195 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1CCOCC(F)F ZINC000300422389 281187617 /nfs/dbraw/zinc/18/76/17/281187617.db2.gz ZBMJPYAOOGRHTP-STQMWFEESA-N 0 3 276.371 2.217 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C/c2cncc(C)c2)C1 ZINC000151552352 289061164 /nfs/dbraw/zinc/06/11/64/289061164.db2.gz JSFQTYKVIFHHCD-LFAOLKIESA-N 0 3 273.380 2.004 10 0 CEAEHN Clc1nsnc1N[C@@H]1CCN2CCCC[C@@H]12 ZINC000049571779 527013006 /nfs/dbraw/zinc/01/30/06/527013006.db2.gz SGALQLHKVBBFTE-SFYZADRCSA-N 0 3 258.778 2.230 10 0 CEAEHN C[C@H]1CC[C@@H](N2CCC3(CC2)CCS(=O)(=O)CC3)C1 ZINC000334242183 300039652 /nfs/dbraw/zinc/03/96/52/300039652.db2.gz QDVPEVNMHTWYQQ-UONOGXRCSA-N 0 3 285.453 2.466 10 0 CEAEHN CC1CCC(CNC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000170833706 312664924 /nfs/dbraw/zinc/66/49/24/312664924.db2.gz ISTSIJMFWKZXLO-RUXDESIVSA-N 0 3 267.417 2.158 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2c[nH]c3cc(F)ccc23)C1 ZINC000192935992 321798634 /nfs/dbraw/zinc/79/86/34/321798634.db2.gz XZQXQINVZHGOOA-NSHDSACASA-N 0 3 275.327 2.083 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1c1cccc(N)c1 ZINC000536954254 330382804 /nfs/dbraw/zinc/38/28/04/330382804.db2.gz QZPJZXNISACYEL-STQMWFEESA-N 0 3 277.368 2.278 10 0 CEAEHN CCCN1CCN(CCNc2ccccc2C)CC1 ZINC000053344728 519858418 /nfs/dbraw/zinc/85/84/18/519858418.db2.gz WNPWXNRVBNYCTA-UHFFFAOYSA-N 0 3 261.413 2.435 10 0 CEAEHN CCNCc1c(C)nc(Cc2ccccn2)nc1C ZINC000054854127 519982583 /nfs/dbraw/zinc/98/25/83/519982583.db2.gz YQBAAXYDMQEBKI-UHFFFAOYSA-N 0 3 256.353 2.189 10 0 CEAEHN CCCN[C@@H](CCN1CCCC(C)(C)C1)C(=O)OC ZINC000069517056 519999241 /nfs/dbraw/zinc/99/92/41/519999241.db2.gz GADCUHWMKNNHGC-ZDUSSCGKSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNCc1cnc(N2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000054907045 520016385 /nfs/dbraw/zinc/01/63/85/520016385.db2.gz HXIGHTZTELUWSI-NWDGAFQWSA-N 0 3 267.398 2.010 10 0 CEAEHN CCNCc1coc(CN(CC)[C@@H](C)COC)c1 ZINC000052504905 520017813 /nfs/dbraw/zinc/01/78/13/520017813.db2.gz CGQMMFHJZLBLEO-LBPRGKRZSA-N 0 3 254.374 2.246 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCCC(=O)N(C)C ZINC000062746688 520076570 /nfs/dbraw/zinc/07/65/70/520076570.db2.gz YXISKRUGMGDUOO-NSHDSACASA-N 0 3 282.359 2.353 10 0 CEAEHN CCCN[C@H](CCN(CC)c1ccc(C)cc1)C(N)=O ZINC000062529107 520072976 /nfs/dbraw/zinc/07/29/76/520072976.db2.gz RNYNCFKDBTUGMP-OAHLLOKOSA-N 0 3 277.412 2.065 10 0 CEAEHN CCCN[C@](CN(C)CC(C)(C)C)(C(=O)OC)C1CC1 ZINC000069132491 520116697 /nfs/dbraw/zinc/11/66/97/520116697.db2.gz PTUDLINHJFLHNB-INIZCTEOSA-N 0 3 284.444 2.286 10 0 CEAEHN CCN[C@H]1COc2cc(OC[C@H](O)C(F)(F)F)ccc21 ZINC000068878114 520221524 /nfs/dbraw/zinc/22/15/24/520221524.db2.gz PBGADURAFSYLGL-JQWIXIFHSA-N 0 3 291.269 2.032 10 0 CEAEHN CCCO[C@H]1CCCN(c2ncc(CNC)s2)C1 ZINC000054909525 520286890 /nfs/dbraw/zinc/28/68/90/520286890.db2.gz HJJMTJRGGQUFQP-NSHDSACASA-N 0 3 269.414 2.258 10 0 CEAEHN CCCC[C@H](C)NS(=O)(=O)c1cccc(CN)c1 ZINC000050888228 521151249 /nfs/dbraw/zinc/15/12/49/521151249.db2.gz YWGIADQHQFDFQW-NSHDSACASA-N 0 3 270.398 2.002 10 0 CEAEHN CCC[C@H](N[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000049543767 521173731 /nfs/dbraw/zinc/17/37/31/521173731.db2.gz KQAADKAFYCAOJF-MNOVXSKESA-N 0 3 273.423 2.366 10 0 CEAEHN CCCc1nc(N(C)C2CCOCC2)sc1CN ZINC000054997867 521529909 /nfs/dbraw/zinc/52/99/09/521529909.db2.gz BNEPZWMFBQKCNO-UHFFFAOYSA-N 0 3 269.414 2.170 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC000155476249 521945024 /nfs/dbraw/zinc/94/50/24/521945024.db2.gz BKKDDJXCUXJYQQ-MJBXVCDLSA-N 0 3 270.417 2.023 10 0 CEAEHN CN[C@@H](c1cc(OC)c(OC)cc1F)[C@H]1CCCO1 ZINC000061561243 522366754 /nfs/dbraw/zinc/36/67/54/522366754.db2.gz QKXZIAYNKBKGKA-RISCZKNCSA-N 0 3 269.316 2.282 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)[C@H](OC)c1ccccc1F ZINC000262095355 535677946 /nfs/dbraw/zinc/67/79/46/535677946.db2.gz BLJOYGRTXCPUBD-SWHYSGLUSA-N 0 3 282.359 2.145 10 0 CEAEHN CC(C)(C)C1CCN(CC[C@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062530613 518607792 /nfs/dbraw/zinc/60/77/92/518607792.db2.gz AHDXFTAVJWCIFV-AWEZNQCLSA-N 0 3 282.428 2.340 10 0 CEAEHN CC(C)(C)C1CC[NH+](CC[C@H](NC2CC2)C(=O)[O-])CC1 ZINC000062530613 518607798 /nfs/dbraw/zinc/60/77/98/518607798.db2.gz AHDXFTAVJWCIFV-AWEZNQCLSA-N 0 3 282.428 2.340 10 0 CEAEHN CC(C)(C)Cc1noc(-c2cnc(C3([NH3+])CCC3)[n-]2)n1 ZINC000068847643 518698473 /nfs/dbraw/zinc/69/84/73/518698473.db2.gz JNRUAISBGRKKGC-UHFFFAOYSA-N 0 3 275.356 2.386 10 0 CEAEHN CC(C)(C)Cc1noc(-c2c[nH]c(C3(N)CCC3)n2)n1 ZINC000068847643 518698477 /nfs/dbraw/zinc/69/84/77/518698477.db2.gz JNRUAISBGRKKGC-UHFFFAOYSA-N 0 3 275.356 2.386 10 0 CEAEHN CC(C)(C)NCc1cccc(OC[C@@H]2CCOC2)n1 ZINC000051571952 518765890 /nfs/dbraw/zinc/76/58/90/518765890.db2.gz WVDCFMVCPRTROO-GFCCVEGCSA-N 0 3 264.369 2.385 10 0 CEAEHN CC(C)(C)c1csc(NC(=O)CNCC2CC2)n1 ZINC000049500086 519084746 /nfs/dbraw/zinc/08/47/46/519084746.db2.gz XMURGZXNECEHHX-UHFFFAOYSA-N 0 3 267.398 2.379 10 0 CEAEHN CC(C)(O)COc1cc2c(cc1CNC(C)(C)C)OCO2 ZINC000062733887 519363971 /nfs/dbraw/zinc/36/39/71/519363971.db2.gz WGLOWXWEVUDPEA-UHFFFAOYSA-N 0 3 295.379 2.453 10 0 CEAEHN O[C@@]12CCCC[C@@H]1CN(Cc1cccc3nccn31)CC2 ZINC000180373676 534422071 /nfs/dbraw/zinc/42/20/71/534422071.db2.gz ZKYZMRYLRXYKMW-RHSMWYFYSA-N 0 3 285.391 2.461 10 0 CEAEHN CC(C)Cc1ccc([C@H](N)Cn2ncccc2=O)cc1 ZINC000061402862 519450636 /nfs/dbraw/zinc/45/06/36/519450636.db2.gz QJDZQWHKXINOSH-OAHLLOKOSA-N 0 3 271.364 2.142 10 0 CEAEHN CC(C)[N@H+](C)CCCCn1ccc(=O)[n-]c1=S ZINC000052313166 519617618 /nfs/dbraw/zinc/61/76/18/519617618.db2.gz BHCIGDDDEGCMFB-UHFFFAOYSA-N 0 3 255.387 2.026 10 0 CEAEHN CC(C)[N@@H+](C)CCCCn1ccc(=O)[n-]c1=S ZINC000052313166 519617623 /nfs/dbraw/zinc/61/76/23/519617623.db2.gz BHCIGDDDEGCMFB-UHFFFAOYSA-N 0 3 255.387 2.026 10 0 CEAEHN CC(C)CN1CCN(Cc2cc(F)ccc2N)CC1 ZINC000055076864 519727220 /nfs/dbraw/zinc/72/72/20/519727220.db2.gz HVOQEJUVJRBTLF-UHFFFAOYSA-N 0 3 265.376 2.182 10 0 CEAEHN CC(C)NCc1nccn1Cc1cn2ccccc2n1 ZINC000051014750 519728894 /nfs/dbraw/zinc/72/88/94/519728894.db2.gz GOXXKXOZWXUUGB-UHFFFAOYSA-N 0 3 269.352 2.077 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443528 519734461 /nfs/dbraw/zinc/73/44/61/519734461.db2.gz IEGGHCSMJVVXMX-XQQFMLRXSA-N 0 3 256.390 2.091 10 0 CEAEHN CCCN1CCC(N2[C@@H]3CCC[C@H]2CC(=O)C3)CC1 ZINC000054601118 519845049 /nfs/dbraw/zinc/84/50/49/519845049.db2.gz IYRAMZWFXCNXAK-GASCZTMLSA-N 0 3 264.413 2.447 10 0 CEAEHN CCCN1CCN(c2nc(C3CC3)c(CN)s2)CC1 ZINC000069146554 519860674 /nfs/dbraw/zinc/86/06/74/519860674.db2.gz DZUOSJUQWXFUOK-UHFFFAOYSA-N 0 3 280.441 2.011 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000061298592 519907647 /nfs/dbraw/zinc/90/76/47/519907647.db2.gz JHRGJFAFUQVYNB-UHFFFAOYSA-N 0 3 274.324 2.063 10 0 CEAEHN CCCNCc1ccc(CN(C)[C@@H](C)COC)o1 ZINC000052511501 519947386 /nfs/dbraw/zinc/94/73/86/519947386.db2.gz LLUKOGFNQDSEJX-LBPRGKRZSA-N 0 3 254.374 2.246 10 0 CEAEHN CCCNCc1ccc(OC)cc1OCCCC(=O)NC ZINC000068816568 519950049 /nfs/dbraw/zinc/95/00/49/519950049.db2.gz WOYQJYWTSXIIAY-UHFFFAOYSA-N 0 3 294.395 2.100 10 0 CEAEHN CCCNCc1coc(CN(CCCOC)CCOC)c1 ZINC000052543271 519965187 /nfs/dbraw/zinc/96/51/87/519965187.db2.gz USTFKHVGULLWQO-UHFFFAOYSA-N 0 3 298.427 2.264 10 0 CEAEHN CCNCc1c(C)nn(C)c1-n1ncc2ccccc21 ZINC000050526828 519983492 /nfs/dbraw/zinc/98/34/92/519983492.db2.gz UWOGCNJNLBNBMF-UHFFFAOYSA-N 0 3 269.352 2.177 10 0 CEAEHN CCNCc1ccoc1CN1C[C@H](C)OC(C)(C)C1 ZINC000052543433 520014293 /nfs/dbraw/zinc/01/42/93/520014293.db2.gz DQXFSUQDFOOAKQ-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN CCCN[C@@H](c1cc(C)oc1C)[C@@H]1COCCO1 ZINC000055301226 520016595 /nfs/dbraw/zinc/01/65/95/520016595.db2.gz STALXKBCUWVRMI-KBPBESRZSA-N 0 3 253.342 2.353 10 0 CEAEHN CCCN[C@@](COc1ccc(CC)cc1)(C(N)=O)C1CC1 ZINC000069197145 520057715 /nfs/dbraw/zinc/05/77/15/520057715.db2.gz CLROSLZKAGMMMU-QGZVFWFLSA-N 0 3 290.407 2.262 10 0 CEAEHN CCCN[C@H](Cc1csc(C)n1)c1nccn1C ZINC000069473831 520088320 /nfs/dbraw/zinc/08/83/20/520088320.db2.gz KFYPJNIHCNJWLZ-GFCCVEGCSA-N 0 3 264.398 2.468 10 0 CEAEHN CCCN[C@H](c1cc(C)oc1C)[C@@H]1COCCO1 ZINC000055301227 520088400 /nfs/dbraw/zinc/08/84/00/520088400.db2.gz STALXKBCUWVRMI-UONOGXRCSA-N 0 3 253.342 2.353 10 0 CEAEHN CCCN[C@H](c1cc(C)ccc1OC)[C@@H]1COCCO1 ZINC000055300893 520088789 /nfs/dbraw/zinc/08/87/89/520088789.db2.gz CFTMNIVYTOIPAF-JKSUJKDBSA-N 0 3 279.380 2.460 10 0 CEAEHN CCOC[C@@H](O)COc1cc(C)ccc1[C@H](C)NC ZINC000069276311 520105760 /nfs/dbraw/zinc/10/57/60/520105760.db2.gz IIZGDSQMBQMPIW-QWHCGFSZSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@@H](Cn1ncccc1=O)c1ccc(C)cc1C ZINC000061402088 520107426 /nfs/dbraw/zinc/10/74/26/520107426.db2.gz NPHLVJVBAPXFBF-HNNXBMFYSA-N 0 3 271.364 2.211 10 0 CEAEHN CCN(C(=O)c1cc[nH]c(=NN)c1)c1ccccc1F ZINC000051114840 520110338 /nfs/dbraw/zinc/11/03/38/520110338.db2.gz HJJNVIBRWKQMRV-UHFFFAOYSA-N 0 3 274.299 2.173 10 0 CEAEHN CCN[C@@H](c1ccc(Cl)cc1)[C@H]1COCCO1 ZINC000055299897 520110690 /nfs/dbraw/zinc/11/06/90/520110690.db2.gz FEGVLAJPLFEMAP-OLZOCXBDSA-N 0 3 255.745 2.406 10 0 CEAEHN CCCNc1cc(C(=O)N[C@H](CN(C)C)C(C)C)ccn1 ZINC000050779724 520133135 /nfs/dbraw/zinc/13/31/35/520133135.db2.gz HIBCFLGOSBRPMS-CQSZACIVSA-N 0 3 292.427 2.220 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(=O)[O-] ZINC000068647960 520144574 /nfs/dbraw/zinc/14/45/74/520144574.db2.gz QISDOWIHTRYOSK-LRDDRELGSA-N 0 3 282.428 2.340 10 0 CEAEHN CCN[C@@](CN(C)CCC(C)C)(C(=O)OCC)C1CC1 ZINC000069183762 520149869 /nfs/dbraw/zinc/14/98/69/520149869.db2.gz MGUALSBVSRQNEK-MRXNPFEDSA-N 0 3 284.444 2.286 10 0 CEAEHN CCCNc1ccc(C(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000050773019 520150331 /nfs/dbraw/zinc/15/03/31/520150331.db2.gz UKQSSTJZVZIDBU-HNNXBMFYSA-N 0 3 275.396 2.333 10 0 CEAEHN CCOC[C@H](O)COc1ccc2c(c1)OC(C)(C)C[C@@H]2N ZINC000069275723 520164310 /nfs/dbraw/zinc/16/43/10/520164310.db2.gz PGAVSNWQKVBEJQ-FZMZJTMJSA-N 0 3 295.379 2.024 10 0 CEAEHN CCN[C@H](C)c1ccccc1OC[C@H](O)COCC ZINC000069275288 520181457 /nfs/dbraw/zinc/18/14/57/520181457.db2.gz PCHWRERANYGLDS-CHWSQXEVSA-N 0 3 267.369 2.133 10 0 CEAEHN CCN[C@H](CCOc1ccccc1[C@H](C)CC)C(N)=O ZINC000062551009 520195472 /nfs/dbraw/zinc/19/54/72/520195472.db2.gz OOUSZRCTBGPGEC-TZMCWYRMSA-N 0 3 278.396 2.432 10 0 CEAEHN CCN[C@H](Cn1nc(C)ccc1=O)c1ccccc1C ZINC000061810186 520205299 /nfs/dbraw/zinc/20/52/99/520205299.db2.gz KXXLXRAMRCXNNW-OAHLLOKOSA-N 0 3 271.364 2.211 10 0 CEAEHN CCN[C@H](Cn1nc(C)ccc1=O)c1ccc(C)cc1 ZINC000061810301 520206339 /nfs/dbraw/zinc/20/63/39/520206339.db2.gz MLMABRGLBJKLHX-OAHLLOKOSA-N 0 3 271.364 2.211 10 0 CEAEHN CCN[C@](C)(CSCc1cccc(C)c1)C(N)=O ZINC000054966379 520234550 /nfs/dbraw/zinc/23/45/50/520234550.db2.gz DTPHFFMCTRCCJG-CQSZACIVSA-N 0 3 266.410 2.082 10 0 CEAEHN CCNc1ccc(C(=O)N[C@@H](CC(C)C)CN(C)C)cn1 ZINC000050777056 520291114 /nfs/dbraw/zinc/29/11/14/520291114.db2.gz MXRICKWYYWMNGC-AWEZNQCLSA-N 0 3 292.427 2.220 10 0 CEAEHN CCCCN(CCO)c1ccc(Cl)cc1CN ZINC000052857179 520528393 /nfs/dbraw/zinc/52/83/93/520528393.db2.gz ZYDHCFPNGSKDQQ-UHFFFAOYSA-N 0 3 256.777 2.398 10 0 CEAEHN CCC[C@@H](NCC(=O)N[C@@H](C)COC)c1cccs1 ZINC000049544044 520771925 /nfs/dbraw/zinc/77/19/25/520771925.db2.gz URGOEACVZJWHDL-NWDGAFQWSA-N 0 3 284.425 2.330 10 0 CEAEHN CC1CCC(N(C)C(=O)CN2CCC[C@@H]2CCCO)CC1 ZINC000052762047 520927862 /nfs/dbraw/zinc/92/78/62/520927862.db2.gz ROGLALSDNJRMEO-UYSNPLJNSA-N 0 3 296.455 2.260 10 0 CEAEHN CC1CCC(N2CCN(c3ccc(N)cn3)CC2)CC1 ZINC000068606686 520942910 /nfs/dbraw/zinc/94/29/10/520942910.db2.gz LHTQKNIVWCXMNY-UHFFFAOYSA-N 0 3 274.412 2.365 10 0 CEAEHN CCN(CC1CC1)c1nc2ccccn2c1CNC ZINC000069238777 520971006 /nfs/dbraw/zinc/97/10/06/520971006.db2.gz RLEMTCJUWYWEMM-UHFFFAOYSA-N 0 3 258.369 2.290 10 0 CEAEHN CCOC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745298 521032763 /nfs/dbraw/zinc/03/27/63/521032763.db2.gz LUUTVVPYSMZDHY-DTWKUNHWSA-N 0 3 255.289 2.176 10 0 CEAEHN CCOC(=O)[C@@H](CCN1CC[C@H](c2ccccc2)C1)NC ZINC000062530864 521059537 /nfs/dbraw/zinc/05/95/37/521059537.db2.gz KEBAKGDSJDGYDU-JKSUJKDBSA-N 0 3 290.407 2.017 10 0 CEAEHN CCC[C@](C)(CO)CN1CCN([C@@H](C)CC)CC1 ZINC000055072942 521268782 /nfs/dbraw/zinc/26/87/82/521268782.db2.gz CYGQIWSNXQYPCQ-GJZGRUSLSA-N 0 3 256.434 2.201 10 0 CEAEHN CCOc1cccc(-c2ncc(CNCCOC)cn2)c1 ZINC000054856729 521313365 /nfs/dbraw/zinc/31/33/65/521313365.db2.gz GJTUEHCQTKPSBQ-UHFFFAOYSA-N 0 3 287.363 2.278 10 0 CEAEHN CCC(C)(C)c1ccc(OCC[C@H](NC)C(N)=O)cc1 ZINC000062549201 521370604 /nfs/dbraw/zinc/37/06/04/521370604.db2.gz FFHGVRVSCFTLJI-AWEZNQCLSA-N 0 3 278.396 2.216 10 0 CEAEHN CCN(c1ncc(CNCCOC)s1)C(C)C ZINC000054902434 521507194 /nfs/dbraw/zinc/50/71/94/521507194.db2.gz NWTZSGPJYXQFIB-UHFFFAOYSA-N 0 3 257.403 2.114 10 0 CEAEHN CCCC1N=NC(=S)N1[C@H](CN(C)C)C(C)C ZINC000049219753 521570140 /nfs/dbraw/zinc/57/01/40/521570140.db2.gz WTJWHYSAUCPZNW-SNVBAGLBSA-N 0 3 256.419 2.278 10 0 CEAEHN CCN1CCC[C@@H]1CNC(=O)c1cccc2c1NCCC2 ZINC000050957477 521639332 /nfs/dbraw/zinc/63/93/32/521639332.db2.gz YVHNGYQPQPBZFU-CQSZACIVSA-N 0 3 287.407 2.259 10 0 CEAEHN CCN1CCC[C@H](Nc2ccc(N)c(OC(C)C)n2)C1 ZINC000049193151 521650050 /nfs/dbraw/zinc/65/00/50/521650050.db2.gz SALOPODFAHLPRN-LBPRGKRZSA-N 0 3 278.400 2.347 10 0 CEAEHN CCCn1ccnc1CNc1cnccc1N(C)C ZINC000061877653 521663102 /nfs/dbraw/zinc/66/31/02/521663102.db2.gz SRUYQYVVOYNFRM-UHFFFAOYSA-N 0 3 259.357 2.366 10 0 CEAEHN CNC(=O)c1ccc(C)c(NC[C@@H]2CCCCN2C)c1 ZINC000054241977 521803472 /nfs/dbraw/zinc/80/34/72/521803472.db2.gz XVZJZYFBDBRJHO-AWEZNQCLSA-N 0 3 275.396 2.251 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000052554664 521826798 /nfs/dbraw/zinc/82/67/98/521826798.db2.gz RRGKQBXYYQEACK-OAHLLOKOSA-N 0 3 269.348 2.114 10 0 CEAEHN COCC[C@@H](N)c1nc(-c2ccc(OC)cc2)c(C)[nH]1 ZINC000052811107 521830790 /nfs/dbraw/zinc/83/07/90/521830790.db2.gz RFOXLTUWMVCBKA-CYBMUJFWSA-N 0 3 275.352 2.430 10 0 CEAEHN COCCc1ccc(OCc2cccnc2CN)cc1 ZINC000061657525 522011464 /nfs/dbraw/zinc/01/14/64/522011464.db2.gz ZNRHOLWUSHODTR-UHFFFAOYSA-N 0 3 272.348 2.308 10 0 CEAEHN CNCc1cc(CN(C)CC(F)(F)F)oc1C ZINC000052483267 522103341 /nfs/dbraw/zinc/10/33/41/522103341.db2.gz MDAHTYHYQZPQLU-UHFFFAOYSA-N 0 3 250.264 2.302 10 0 CEAEHN CNCc1cc(Cl)ccc1OCCn1cccn1 ZINC000049313621 522111845 /nfs/dbraw/zinc/11/18/45/522111845.db2.gz LFPNVSDNIMOGJJ-UHFFFAOYSA-N 0 3 265.744 2.335 10 0 CEAEHN CNCc1ccnc(-c2cc(F)c(F)c(F)c2)n1 ZINC000054791148 522140329 /nfs/dbraw/zinc/14/03/29/522140329.db2.gz JIEFWKIBCJDIPN-UHFFFAOYSA-N 0 3 253.227 2.280 10 0 CEAEHN COC[C@@H](C)N(C)Cc1occc1CNC(C)C ZINC000052511446 522218543 /nfs/dbraw/zinc/21/85/43/522218543.db2.gz KSOFFHIVSMHWMS-GFCCVEGCSA-N 0 3 254.374 2.244 10 0 CEAEHN CC[C@@H](C)SC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069185076 522273305 /nfs/dbraw/zinc/27/33/05/522273305.db2.gz VAHRXQKNFNFZNO-ZWNOBZJWSA-N 0 3 258.431 2.150 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1noc(C)n1 ZINC000062746221 522331833 /nfs/dbraw/zinc/33/18/33/522331833.db2.gz DHVLKLWBISGPJE-QMMMGPOBSA-N 0 3 265.288 2.377 10 0 CEAEHN CN[C@@H](C)c1cnn(Cc2ccc(F)cc2F)c1 ZINC000054720907 522340598 /nfs/dbraw/zinc/34/05/98/522340598.db2.gz XIFIEWBIRRYQDW-VIFPVBQESA-N 0 3 251.280 2.490 10 0 CEAEHN C[NH2+][C@@H](CCN1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000062444595 522344481 /nfs/dbraw/zinc/34/44/81/522344481.db2.gz HFOODEHWVBGEKV-INIZCTEOSA-N 0 3 290.407 2.004 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1CCCCO1 ZINC000050961582 522369098 /nfs/dbraw/zinc/36/90/98/522369098.db2.gz UBNVNHDTJPAGFW-ZFWWWQNUSA-N 0 3 260.337 2.011 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCCO1 ZINC000062806517 522369187 /nfs/dbraw/zinc/36/91/87/522369187.db2.gz OOUNZWIUGGAINT-WBVHZDCISA-N 0 3 288.391 2.425 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCCO1 ZINC000062806515 522369846 /nfs/dbraw/zinc/36/98/46/522369846.db2.gz OOUNZWIUGGAINT-RDJZCZTQSA-N 0 3 288.391 2.425 10 0 CEAEHN CCc1nc(N2CCO[C@H]3CCCC[C@@H]32)sc1CN ZINC000055001794 522387760 /nfs/dbraw/zinc/38/77/60/522387760.db2.gz QTRHVCHKRJBITR-RYUDHWBXSA-N 0 3 281.425 2.312 10 0 CEAEHN CCc1nc(NC(=O)CNC2CCCC2)sc1C ZINC000049184635 522393986 /nfs/dbraw/zinc/39/39/86/522393986.db2.gz VAZOSBQOPWNRDH-UHFFFAOYSA-N 0 3 267.398 2.485 10 0 CEAEHN CN[C@@H]1COc2cc(OCc3ccncc3)ccc21 ZINC000062804463 522399776 /nfs/dbraw/zinc/39/97/76/522399776.db2.gz VDMPZBJXBFZEAC-CQSZACIVSA-N 0 3 256.305 2.314 10 0 CEAEHN CN[C@@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689762 522412346 /nfs/dbraw/zinc/41/23/46/522412346.db2.gz IGBCVVTUGDIQMU-JTQLQIEISA-N 0 3 262.122 2.015 10 0 CEAEHN CN[C@H](CCOc1ccc(C(C)(C)C)cc1C)C(N)=O ZINC000062594762 522461313 /nfs/dbraw/zinc/46/13/13/522461313.db2.gz ZNTUZYBWELTMQF-CYBMUJFWSA-N 0 3 278.396 2.135 10 0 CEAEHN CN[C@H](CN1CCN(C)C1=O)c1cc2ccccc2o1 ZINC000052885601 522466082 /nfs/dbraw/zinc/46/60/82/522466082.db2.gz QWRDAGNEQGDIKF-GFCCVEGCSA-N 0 3 273.336 2.061 10 0 CEAEHN CN[C@H](CCn1c2ccccc2c2ccccc21)C(N)=O ZINC000062535881 522466472 /nfs/dbraw/zinc/46/64/72/522466472.db2.gz YKFPJVLSBHMOEQ-CQSZACIVSA-N 0 3 281.359 2.258 10 0 CEAEHN CN[C@](C)(CCCCN1Cc2ccccc2C1)C(=O)OC ZINC000050912343 522514458 /nfs/dbraw/zinc/51/44/58/522514458.db2.gz UXJOUFXNHMCFPB-QGZVFWFLSA-N 0 3 290.407 2.324 10 0 CEAEHN CNc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000050774405 522582033 /nfs/dbraw/zinc/58/20/33/522582033.db2.gz RSKASUGZTGZSJA-UHFFFAOYSA-N 0 3 277.412 2.388 10 0 CEAEHN CNc1ccc(Cl)c(CN2CCN(CC3CC3)CC2)n1 ZINC000061639039 522622480 /nfs/dbraw/zinc/62/24/80/522622480.db2.gz QMNHQFMSHGYYNN-UHFFFAOYSA-N 0 3 294.830 2.304 10 0 CEAEHN CC[C@@H]([NH3+])[C@]([O-])(c1ccc(OC)cc1OC)C(F)(F)F ZINC000062784702 522655290 /nfs/dbraw/zinc/65/52/90/522655290.db2.gz AUCGZBZJNAZZQR-VXGBXAGGSA-N 0 3 293.285 2.191 10 0 CEAEHN CC[C@@H](NC(=O)c1c[nH]c(=NN)c(Cl)c1)C(C)C ZINC000051113496 522798529 /nfs/dbraw/zinc/79/85/29/522798529.db2.gz UXVBHUMGAHHOQX-SNVBAGLBSA-N 0 3 270.764 2.185 10 0 CEAEHN COCc1cccc(NC(=O)[C@H]2CCC[C@H](C)N2)c1 ZINC000049511984 523072842 /nfs/dbraw/zinc/07/28/42/523072842.db2.gz YRZMFUIYVXXCTR-SMDDNHRTSA-N 0 3 262.353 2.302 10 0 CEAEHN COC(=O)COc1ccc(OC)cc1CNC(C)(C)C ZINC000062727557 523227580 /nfs/dbraw/zinc/22/75/80/523227580.db2.gz BURVNOYGSSLTSO-UHFFFAOYSA-N 0 3 281.352 2.135 10 0 CEAEHN COc1ccc(-c2ncc([C@@H](C)N)c(C)n2)cc1OC ZINC000054962514 523237724 /nfs/dbraw/zinc/23/77/24/523237724.db2.gz DVWYWCWRWMFEDI-SECBINFHSA-N 0 3 273.336 2.489 10 0 CEAEHN CCn1c2ccc(F)cc2nc1[C@@H](N)CCOC ZINC000052785228 523267843 /nfs/dbraw/zinc/26/78/43/523267843.db2.gz DYYCGSLWTYOGEP-JTQLQIEISA-N 0 3 251.305 2.232 10 0 CEAEHN CC[C@H]1COCCN1c1ncc(CNC(C)C)s1 ZINC000054904672 523338228 /nfs/dbraw/zinc/33/82/28/523338228.db2.gz XYLGURBTRZFZGO-NSHDSACASA-N 0 3 269.414 2.256 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1c1ccc(CNCC(C)C)nn1 ZINC000051518809 523346435 /nfs/dbraw/zinc/34/64/35/523346435.db2.gz QBDRQZCXLXBKBD-ZFWWWQNUSA-N 0 3 292.427 2.226 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1ncc(CNC2CC2)s1 ZINC000054908794 523509565 /nfs/dbraw/zinc/50/95/65/523509565.db2.gz SAOARFNSVFGNEU-CMPLNLGQSA-N 0 3 281.425 2.399 10 0 CEAEHN COCCN(C(=O)[C@@H](CN)c1ccccc1)[C@H](C)C1CC1 ZINC000061612099 523546074 /nfs/dbraw/zinc/54/60/74/523546074.db2.gz XEWYUMPFCOAERC-CJNGLKHVSA-N 0 3 290.407 2.002 10 0 CEAEHN CN(Cc1nc(NN)ccc1Cl)CC(C)(C)C ZINC000061638503 523555656 /nfs/dbraw/zinc/55/56/56/523555656.db2.gz JDWBNEMQUHIRHF-UHFFFAOYSA-N 0 3 256.781 2.499 10 0 CEAEHN CCn1ccnc1[C@@H](N)Cc1cc(F)cc(F)c1 ZINC000069498019 523554175 /nfs/dbraw/zinc/55/41/75/523554175.db2.gz SNJILKHCCOCZOY-LBPRGKRZSA-N 0 3 251.280 2.424 10 0 CEAEHN COCCN(C)CCN[C@H]1CCCOc2c(C)cccc21 ZINC000061377248 523612531 /nfs/dbraw/zinc/61/25/31/523612531.db2.gz NTLOCHXDIGBUGP-INIZCTEOSA-N 0 3 292.423 2.377 10 0 CEAEHN CCn1nccc1[C@@H](Cc1ccccc1OC)NC ZINC000069471391 523744243 /nfs/dbraw/zinc/74/42/43/523744243.db2.gz KKIITLNNJUWHPI-CYBMUJFWSA-N 0 3 259.353 2.415 10 0 CEAEHN CN1CCC[C@@H](CNC(=O)c2cccc3c2NCCC3)C1 ZINC000050958106 523815868 /nfs/dbraw/zinc/81/58/68/523815868.db2.gz SMUGATQJOOJNQG-ZDUSSCGKSA-N 0 3 287.407 2.116 10 0 CEAEHN CC[C@H](C)CN[C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000054469860 523885821 /nfs/dbraw/zinc/88/58/21/523885821.db2.gz CWROIKQKSPWXSQ-AAEUAGOBSA-N 0 3 266.385 2.082 10 0 CEAEHN COCCNC(=O)[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000049507495 523914487 /nfs/dbraw/zinc/91/44/87/523914487.db2.gz ICCFKPSLIWLAAD-QWRGUYRKSA-N 0 3 284.425 2.167 10 0 CEAEHN COCCNCc1ccccc1N(CCO)C1CCCC1 ZINC000062737725 523955858 /nfs/dbraw/zinc/95/58/58/523955858.db2.gz RDRFTMYYOZCAQL-UHFFFAOYSA-N 0 3 292.423 2.164 10 0 CEAEHN COCCNCc1cnc(N(C)[C@@H](C)C(C)C)s1 ZINC000054904448 523957038 /nfs/dbraw/zinc/95/70/38/523957038.db2.gz JQJZZTVMFMEGOK-NSHDSACASA-N 0 3 271.430 2.360 10 0 CEAEHN CC[C@H](C)N1CCN(c2cc(Cl)ncn2)CC1 ZINC000055084642 523960933 /nfs/dbraw/zinc/96/09/33/523960933.db2.gz LSQYNYMXHBPYBX-JTQLQIEISA-N 0 3 254.765 2.051 10 0 CEAEHN CCc1ccc(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)cc1 ZINC000068655635 524007691 /nfs/dbraw/zinc/00/76/91/524007691.db2.gz DCOQTBOUVOICJX-SJKOYZFVSA-N 0 3 290.407 2.402 10 0 CEAEHN Cc1cccc(C(=O)CN2CCC[C@@H]2CN(C)C)c1 ZINC000061645742 524159869 /nfs/dbraw/zinc/15/98/69/524159869.db2.gz XUYJDKPIZJLFIL-OAHLLOKOSA-N 0 3 260.381 2.204 10 0 CEAEHN C[C@@H]1CCCN(Cc2ccnc(C(N)=S)c2)CC1 ZINC000068753074 524236160 /nfs/dbraw/zinc/23/61/60/524236160.db2.gz AUKXPQMYEQMJQT-LLVKDONJSA-N 0 3 263.410 2.338 10 0 CEAEHN Cc1ccc(CCC(=O)N2[C@H](C)CNC[C@@H]2C)cc1 ZINC000069132902 524290725 /nfs/dbraw/zinc/29/07/25/524290725.db2.gz PZXHUKKMPVBRJG-OKILXGFUSA-N 0 3 260.381 2.136 10 0 CEAEHN C[C@H](CN1CCCCC1)NC1N=NC(=S)S1 ZINC000049502252 524335561 /nfs/dbraw/zinc/33/55/61/524335561.db2.gz UWFPXWOKFRFSAZ-MRVPVSSYSA-N 0 3 258.416 2.113 10 0 CEAEHN C[C@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C[C@@H]1C ZINC000068584355 524366757 /nfs/dbraw/zinc/36/67/57/524366757.db2.gz HJGKAPSRVGIPBJ-UGQVUOCMSA-N 0 3 274.408 2.497 10 0 CEAEHN Cc1ccc(CN(C)c2nc(C)c(CN)s2)o1 ZINC000054997141 524404161 /nfs/dbraw/zinc/40/41/61/524404161.db2.gz AIHMLWXENSKTQZ-UHFFFAOYSA-N 0 3 251.355 2.448 10 0 CEAEHN C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C[C@@H]1C ZINC000068584354 524610939 /nfs/dbraw/zinc/61/09/39/524610939.db2.gz HJGKAPSRVGIPBJ-CLWVCHIJSA-N 0 3 274.408 2.497 10 0 CEAEHN C[C@H]1CN(c2nc(C(C)(C)C)c(CN)s2)CCO1 ZINC000054995685 524673030 /nfs/dbraw/zinc/67/30/30/524673030.db2.gz IVCNLRZGJBCFRI-VIFPVBQESA-N 0 3 269.414 2.124 10 0 CEAEHN C[C@H](N)[C@@H](c1ccccn1)N1Cc2ccccc2C1 ZINC000050910290 524837969 /nfs/dbraw/zinc/83/79/69/524837969.db2.gz HMVOAVQGGVPJQI-LRDDRELGSA-N 0 3 253.349 2.486 10 0 CEAEHN C[C@H](N)c1cnc(N2CCN(C(C)(C)C)CC2)s1 ZINC000054898202 524869580 /nfs/dbraw/zinc/86/95/80/524869580.db2.gz JEPFYVHQKLUWDZ-JTQLQIEISA-N 0 3 268.430 2.083 10 0 CEAEHN Cc1ccc(F)cc1[C@H](N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000062664959 524874469 /nfs/dbraw/zinc/87/44/69/524874469.db2.gz YENYFVKDHVZERK-CQSZACIVSA-N 0 3 271.295 2.352 10 0 CEAEHN C[C@@H]([NH3+])[C@@]([O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784278 525014837 /nfs/dbraw/zinc/01/48/37/525014837.db2.gz DHYLKIXTXIXYLN-MLUIRONXSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cccc(Br)c1 ZINC000069133438 525098014 /nfs/dbraw/zinc/09/80/14/525098014.db2.gz VEXQDCFNWQHLKR-NXEZZACHSA-N 0 3 297.196 2.272 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)C(C)(C)c1ccccc1 ZINC000069133370 525099641 /nfs/dbraw/zinc/09/96/41/525099641.db2.gz VWXSCBFGEFUSEC-BETUJISGSA-N 0 3 260.381 2.173 10 0 CEAEHN C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCCO1 ZINC000155681140 525229120 /nfs/dbraw/zinc/22/91/20/525229120.db2.gz DCVOZIHWHXEPNB-SWLSCSKDSA-N 0 3 276.380 2.046 10 0 CEAEHN C[C@H](NCCN1CCOCC1)c1cnc2ccsc2c1 ZINC000068690453 525352506 /nfs/dbraw/zinc/35/25/06/525352506.db2.gz MLIPVZPTAKFNRH-LBPRGKRZSA-N 0 3 291.420 2.279 10 0 CEAEHN C[C@H](NCCc1nncn1C)c1cnc2ccsc2c1 ZINC000068692059 525375558 /nfs/dbraw/zinc/37/55/58/525375558.db2.gz HOXXBKMKLGFQKB-JTQLQIEISA-N 0 3 287.392 2.318 10 0 CEAEHN C[C@H](NC[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CCCO1 ZINC000183220704 525397585 /nfs/dbraw/zinc/39/75/85/525397585.db2.gz LDNOWHJOADTSGX-CFVMTHIKSA-N 0 3 290.363 2.169 10 0 CEAEHN Cc1ccc(OC[C@](NC(C)C)(C(N)=O)C2CC2)cc1C ZINC000069197332 525443824 /nfs/dbraw/zinc/44/38/24/525443824.db2.gz FMVRWOYTMUMDLP-QGZVFWFLSA-N 0 3 290.407 2.314 10 0 CEAEHN CSCCCNCC(=O)Nc1cccc(C)c1 ZINC000069447071 525476704 /nfs/dbraw/zinc/47/67/04/525476704.db2.gz NRPNQZSWZMXUCU-UHFFFAOYSA-N 0 3 252.383 2.276 10 0 CEAEHN CSCCCN[C@H](C)C(=O)NC1CCCCC1 ZINC000069446498 525482447 /nfs/dbraw/zinc/48/24/47/525482447.db2.gz OIQPYLRMVJGNFO-LLVKDONJSA-N 0 3 258.431 2.167 10 0 CEAEHN CSC[C@@H](C)CNCC(=O)Nc1ccccc1F ZINC000069448103 525622148 /nfs/dbraw/zinc/62/21/48/525622148.db2.gz VBOLYRQGHVJAAI-JTQLQIEISA-N 0 3 270.373 2.353 10 0 CEAEHN CSC[C@H](C)CNC(=O)C[C@@H](N)c1ccccc1 ZINC000069448781 525676214 /nfs/dbraw/zinc/67/62/14/525676214.db2.gz TWBNIBLCFPYQPF-DGCLKSJQSA-N 0 3 266.410 2.192 10 0 CEAEHN C[C@@H](O)COc1cc2c(cc1CNC(C)(C)C)OCO2 ZINC000062733886 525809600 /nfs/dbraw/zinc/80/96/00/525809600.db2.gz NUXGPLPCSHQHNK-SNVBAGLBSA-N 0 3 281.352 2.063 10 0 CEAEHN COc1cccc(Cc2ncc([C@@H](C)N)c(C)n2)c1 ZINC000054962534 526084704 /nfs/dbraw/zinc/08/47/04/526084704.db2.gz MTCGJOHNSFRZLN-SNVBAGLBSA-N 0 3 257.337 2.404 10 0 CEAEHN Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c([O-])c1 ZINC000063189331 526091902 /nfs/dbraw/zinc/09/19/02/526091902.db2.gz OLDLLGDCXWNMOH-HUUCEWRRSA-N 0 3 288.391 2.447 10 0 CEAEHN C[C@@H](c1ccncc1)N(C)C(=O)[C@@H](CN)c1ccccc1 ZINC000061612214 526151464 /nfs/dbraw/zinc/15/14/64/526151464.db2.gz YBHYOIOHQMTMTD-BBRMVZONSA-N 0 3 283.375 2.344 10 0 CEAEHN C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051096536 526257999 /nfs/dbraw/zinc/25/79/99/526257999.db2.gz BZUYAZYQCXOIIE-KWQFWETISA-N 0 3 282.775 2.329 10 0 CEAEHN Fc1cc(F)cc(Cc2noc([C@@H]3CCCN3)n2)c1 ZINC000049347990 526307522 /nfs/dbraw/zinc/30/75/22/526307522.db2.gz IRVCWSRZQCZPEI-NSHDSACASA-N 0 3 265.263 2.363 10 0 CEAEHN c1ccc(CN2CCC(NCc3ccncn3)CC2)cc1 ZINC000054788627 526468387 /nfs/dbraw/zinc/46/83/87/526468387.db2.gz WJSRJUSAFCREAK-UHFFFAOYSA-N 0 3 282.391 2.231 10 0 CEAEHN Cc1nc(C)n(Cc2cc(CNC(C)C)oc2C)n1 ZINC000052574501 526764085 /nfs/dbraw/zinc/76/40/85/526764085.db2.gz NVXCLQJHQBUNOU-UHFFFAOYSA-N 0 3 262.357 2.343 10 0 CEAEHN Cc1nc(C)n(Cc2cc(CNC(C)C)c(C)o2)n1 ZINC000052574362 526764630 /nfs/dbraw/zinc/76/46/30/526764630.db2.gz ABRMEGHFYRQRQK-UHFFFAOYSA-N 0 3 262.357 2.343 10 0 CEAEHN Cc1oc(CN)cc1CN1C[C@H](C)OC(C)(C)C1 ZINC000052543527 526771466 /nfs/dbraw/zinc/77/14/66/526771466.db2.gz LSGDGPHNNRJBLV-JTQLQIEISA-N 0 3 252.358 2.046 10 0 CEAEHN NC(=S)c1cc(CN2CCCCCCC2)ccn1 ZINC000068751846 527114350 /nfs/dbraw/zinc/11/43/50/527114350.db2.gz CFVUGQKXVSFWCE-UHFFFAOYSA-N 0 3 263.410 2.482 10 0 CEAEHN NC(=S)c1ccc(Cl)cc1N[C@H]1CN2CCC1CC2 ZINC000062787959 527119287 /nfs/dbraw/zinc/11/92/87/527119287.db2.gz LTRRRXQYHXZDHV-ZDUSSCGKSA-N 0 3 295.839 2.480 10 0 CEAEHN NC[C@@H](c1cc(F)c(F)c(F)c1)N1CCSCC1 ZINC000062709653 527205865 /nfs/dbraw/zinc/20/58/65/527205865.db2.gz CKHZYRYIMHLRCX-NSHDSACASA-N 0 3 276.327 2.153 10 0 CEAEHN NC[C@H](C(=O)N1CCOc2ccccc21)c1ccccc1 ZINC000061612682 527222446 /nfs/dbraw/zinc/22/24/46/527222446.db2.gz KJCIQJCVAXAMOO-AWEZNQCLSA-N 0 3 282.343 2.155 10 0 CEAEHN NC[C@H](C(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000061612554 527224813 /nfs/dbraw/zinc/22/48/13/527224813.db2.gz WUMAWAWPNOMABM-AWEZNQCLSA-N 0 3 256.305 2.073 10 0 CEAEHN NCc1ccc(N2CCC3(CCCCC3)CC2)nn1 ZINC000061822808 527254369 /nfs/dbraw/zinc/25/43/69/527254369.db2.gz WPEOFNMMAYCFRW-UHFFFAOYSA-N 0 3 260.385 2.486 10 0 CEAEHN NCc1ccnc(Cc2ccc(Br)cc2)n1 ZINC000054791098 527262474 /nfs/dbraw/zinc/26/24/74/527262474.db2.gz DBJMZTGBJARJII-UHFFFAOYSA-N 0 3 278.153 2.289 10 0 CEAEHN NCc1cn(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000051040621 527262775 /nfs/dbraw/zinc/26/27/75/527262775.db2.gz ARDVGQUOPILPEI-UHFFFAOYSA-N 0 3 250.305 2.393 10 0 CEAEHN NCc1cnn(Cc2ccc(Br)cc2)c1 ZINC000054716763 527264703 /nfs/dbraw/zinc/26/47/03/527264703.db2.gz NUPLGWABJRTMIW-UHFFFAOYSA-N 0 3 266.142 2.153 10 0 CEAEHN Cn1ccnc1[C@H](N)Cc1cccc(Br)c1 ZINC000069029120 527463476 /nfs/dbraw/zinc/46/34/76/527463476.db2.gz ATUJRWIVJGTPOS-LLVKDONJSA-N 0 3 280.169 2.425 10 0 CEAEHN Cc1ncn(Cc2cc(CNC(C)(C)C)no2)c1C ZINC000052593531 527462829 /nfs/dbraw/zinc/46/28/29/527462829.db2.gz VREXLFIBARQGBA-UHFFFAOYSA-N 0 3 262.357 2.424 10 0 CEAEHN Cc1nn(C)c(N(C)C2CCOCC2)c1CNC(C)(C)C ZINC000062736277 527670456 /nfs/dbraw/zinc/67/04/56/527670456.db2.gz RIXGKVSXWVHFOW-UHFFFAOYSA-N 0 3 294.443 2.232 10 0 CEAEHN Cc1nn(C)c(N(C)C(C)C)c1CNC(C)(C)C ZINC000062734547 527670535 /nfs/dbraw/zinc/67/05/35/527670535.db2.gz SVGDKUFKSBVZDI-UHFFFAOYSA-N 0 3 252.406 2.461 10 0 CEAEHN FC(F)(F)CO[C@H]1CCC[C@H](NCc2c[nH]cn2)C1 ZINC000054764942 527671904 /nfs/dbraw/zinc/67/19/04/527671904.db2.gz AFBXCLDYERVFBH-ONGXEEELSA-N 0 3 277.290 2.389 10 0 CEAEHN Cc1nn(C)c(N2CCOCC2(C)C)c1CNCC(C)C ZINC000062737005 527676579 /nfs/dbraw/zinc/67/65/79/527676579.db2.gz CJHAVBBWLGAPMT-UHFFFAOYSA-N 0 3 294.443 2.089 10 0 CEAEHN CCCC1(CNCc2c(C)nn(C)c2OC)CC1 ZINC000151567989 528060410 /nfs/dbraw/zinc/06/04/10/528060410.db2.gz YGRJAIDCRFTEEZ-UHFFFAOYSA-N 0 3 251.374 2.407 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(C(C)C)nn1C ZINC000174133910 528500269 /nfs/dbraw/zinc/50/02/69/528500269.db2.gz UMXBGRVZCYBPGF-CYBMUJFWSA-N 0 3 294.443 2.250 10 0 CEAEHN CCC(O)(CC)CN1CCN(c2cccc(OC)c2)CC1 ZINC000165203373 528965778 /nfs/dbraw/zinc/96/57/78/528965778.db2.gz GCIWGHWGIXPGRM-UHFFFAOYSA-N 0 3 292.423 2.368 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000174077594 529229667 /nfs/dbraw/zinc/22/96/67/529229667.db2.gz IRFPEBXCPMXEFP-AEFFLSMTSA-N 0 3 288.435 2.453 10 0 CEAEHN CCCN[C@@H]1CCCN(c2cc(F)cc(F)c2)C1=O ZINC000071033462 535186552 /nfs/dbraw/zinc/18/65/52/535186552.db2.gz HIMSVDUXXIUROX-CYBMUJFWSA-N 0 3 268.307 2.460 10 0 CEAEHN CN1C[C@H](NCc2cccnc2Br)C(C)(C)C1 ZINC000675074982 567024602 /nfs/dbraw/zinc/02/46/02/567024602.db2.gz KNXVLFLWAKKURN-NSHDSACASA-N 0 3 298.228 2.274 10 0 CEAEHN CCCC[C@@H](N)c1nc(N2CCN(CC(C)C)CC2)no1 ZINC000757123895 574825804 /nfs/dbraw/zinc/82/58/04/574825804.db2.gz LAADPBUOAAVZSX-CYBMUJFWSA-N 0 3 295.431 2.038 10 0 CEAEHN COCCOC[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000020262777 567847845 /nfs/dbraw/zinc/84/78/45/567847845.db2.gz CERRQKBEYJWXKP-LLVKDONJSA-N 0 3 263.259 2.368 10 0 CEAEHN C[C@@H]1COC[C@H](C)N1CC1CCC2(CC1)OCCO2 ZINC000190246344 628329024 /nfs/dbraw/zinc/32/90/24/628329024.db2.gz MDHCNHNHZGOVNI-BETUJISGSA-N 0 3 269.385 2.029 10 0 CEAEHN CCC[C@@H](N)C(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000236933522 629127999 /nfs/dbraw/zinc/12/79/99/629127999.db2.gz GUVQBJRJCNZWIU-SNVBAGLBSA-N 0 3 269.414 2.239 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000237004838 629148499 /nfs/dbraw/zinc/14/84/99/629148499.db2.gz GOYSSXAUBBDYQD-ZWNOBZJWSA-N 0 3 280.416 2.321 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cccnc2Cl)C1 ZINC000049210933 629853677 /nfs/dbraw/zinc/85/36/77/629853677.db2.gz XPJVKTLRVNHDCW-JTQLQIEISA-N 0 3 282.775 2.341 10 0 CEAEHN Cn1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CNC3)cn1 ZINC000262519798 631084823 /nfs/dbraw/zinc/08/48/23/631084823.db2.gz NXXDMTALWVZZJS-INIZCTEOSA-N 0 3 296.374 2.001 10 0 CEAEHN C[C@@H](NC(=O)CN)c1c(Cl)ccc(F)c1Cl ZINC000237589349 641356250 /nfs/dbraw/zinc/35/62/50/641356250.db2.gz SXVDKAHCSFEAQG-RXMQYKEDSA-N 0 3 265.115 2.268 10 0 CEAEHN C[C@@]1(O)CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000179615550 641368634 /nfs/dbraw/zinc/36/86/34/641368634.db2.gz OUODPDPIJWQKBI-DZGCQCFKSA-N 0 3 294.782 2.290 10 0 CEAEHN COc1ccc(Br)cc1[C@@H]1CNCO1 ZINC000082567753 178098567 /nfs/dbraw/zinc/09/85/67/178098567.db2.gz UGBQEOFAAMJEPH-JTQLQIEISA-N 0 3 258.115 2.076 10 0 CEAEHN COc1cccc(OC)c1[C@@H](N)C1CCOCC1 ZINC000095825140 185028969 /nfs/dbraw/zinc/02/89/69/185028969.db2.gz OQRRHCJVBAJVJD-AWEZNQCLSA-N 0 3 251.326 2.130 10 0 CEAEHN Cc1nn(C)c(Sc2cccs2)c1C(=N)N ZINC000082589175 178125034 /nfs/dbraw/zinc/12/50/34/178125034.db2.gz UWDBHTNTFMDHHU-UHFFFAOYSA-N 0 3 252.368 2.225 10 0 CEAEHN CCN1C(=O)CC2(CCN(Cc3ccccc3)CC2)C1=O ZINC000095937490 185034160 /nfs/dbraw/zinc/03/41/60/185034160.db2.gz GUWWDBCLSUXTHK-UHFFFAOYSA-N 0 3 286.375 2.048 10 0 CEAEHN CN(C)CCN(Cc1ccc(O)cc1)c1ccccn1 ZINC000034223420 361787703 /nfs/dbraw/zinc/78/77/03/361787703.db2.gz FCFBHFOEKQWQBR-UHFFFAOYSA-N 0 3 271.364 2.355 10 0 in-vitro CEAEHN CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccccn2)C1 ZINC000034442141 361790816 /nfs/dbraw/zinc/79/08/16/361790816.db2.gz FUAKTACZTBFCQM-ZDUSSCGKSA-N 0 3 291.395 2.428 10 0 CEAEHN C[C@H](CCO)N1CCN(c2cccc(Cl)c2)CC1 ZINC000034460122 361791627 /nfs/dbraw/zinc/79/16/27/361791627.db2.gz YZKLGHNNUDUKIJ-GFCCVEGCSA-N 0 3 268.788 2.233 10 0 CEAEHN O=C(Nc1cccc(O)c1)[C@@H]1CNCc2ccccc21 ZINC000082802900 178302098 /nfs/dbraw/zinc/30/20/98/178302098.db2.gz CKFLKGBQPRCTIE-OAHLLOKOSA-N 0 3 268.316 2.218 10 0 CEAEHN CCC1(CN2CC[C@@H](C)[S@@](=O)CC2)CCOCC1 ZINC000336581554 365673441 /nfs/dbraw/zinc/67/34/41/365673441.db2.gz DWUZNWBJTFNSEJ-ACJLOTCBSA-N 0 3 273.442 2.036 10 0 CEAEHN COc1cccc(CN(C[C@@H](O)COC(C)C)C2CC2)c1 ZINC000036098401 361827114 /nfs/dbraw/zinc/82/71/14/361827114.db2.gz SDDMHJLJBPXXQT-MRXNPFEDSA-N 0 3 293.407 2.446 10 0 CEAEHN C[C@@H](NCCC1OCCO1)c1ccc(F)c(F)c1 ZINC000125351912 187180538 /nfs/dbraw/zinc/18/05/38/187180538.db2.gz CAGHQXREHANRDB-SECBINFHSA-N 0 3 257.280 2.378 10 0 CEAEHN CC[C@@H]1CN(Cc2ccncc2Cl)CCN1C[C@@H](C)O ZINC000173677259 529397671 /nfs/dbraw/zinc/39/76/71/529397671.db2.gz ILDUQLRDDMLERY-TZMCWYRMSA-N 0 3 297.830 2.012 10 0 CEAEHN CCN(CC)c1nc(N)nc(NC2CCC(C)CC2)n1 ZINC000097030805 185155069 /nfs/dbraw/zinc/15/50/69/185155069.db2.gz MBTNGMWVYJYEDU-UHFFFAOYSA-N 0 3 278.404 2.291 10 0 CEAEHN CNCc1cc2cc(OC)ccc2n(CC(C)C)c1=O ZINC000039288567 361987982 /nfs/dbraw/zinc/98/79/82/361987982.db2.gz BOMLRHGKHCXSEM-UHFFFAOYSA-N 0 3 274.364 2.386 10 0 CEAEHN O[C@H](COCc1ccccc1)CN1CCC(F)(F)CC1 ZINC000405173708 539221589 /nfs/dbraw/zinc/22/15/89/539221589.db2.gz XSXRXFWQXKWKKB-AWEZNQCLSA-N 0 3 285.334 2.295 10 0 CEAEHN O[C@@H](COCc1ccccc1)CN1CC[C@H](C(F)F)C1 ZINC000677730374 539260280 /nfs/dbraw/zinc/26/02/80/539260280.db2.gz IBKLUGXXVJSHSW-UONOGXRCSA-N 0 3 285.334 2.151 10 0 CEAEHN C[C@@H]1CNCCN1c1cccc(Br)c1 ZINC000041325069 362028871 /nfs/dbraw/zinc/02/88/71/362028871.db2.gz BVJNWPQMFSPDOO-SECBINFHSA-N 0 3 255.159 2.247 10 0 CEAEHN C[C@@H](NC(=O)C(C)(C)N)c1ccc(Br)cc1 ZINC000040925516 362010289 /nfs/dbraw/zinc/01/02/89/362010289.db2.gz WTIYNUVPFHNWNA-MRVPVSSYSA-N 0 3 285.185 2.364 10 0 CEAEHN CCc1ncc(CN[C@H]2CCCC[C@@H]2CO)s1 ZINC000084045707 539282274 /nfs/dbraw/zinc/28/22/74/539282274.db2.gz CQHOFMYLOXLEJB-PWSUYJOCSA-N 0 3 254.399 2.346 10 0 CEAEHN COc1cccc([C@@H](N)[C@H](N)c2cccc(OC)c2)c1 ZINC000034214048 343418872 /nfs/dbraw/zinc/41/88/72/343418872.db2.gz VLIGRZTVNRBXFH-HZPDHXFCSA-N 0 3 272.348 2.404 10 0 CEAEHN C[C@H](NC(=O)[C@H]1CCCCN1)c1cc(F)ccc1F ZINC000037007633 343424852 /nfs/dbraw/zinc/42/48/52/343424852.db2.gz XVTNCKBLUXLPMI-TVQRCGJNSA-N 0 3 268.307 2.284 10 0 CEAEHN C[C@@H](NC(=O)C1(N)CCCC1)c1cc(F)ccc1F ZINC000037616308 343429539 /nfs/dbraw/zinc/42/95/39/343429539.db2.gz JUWCCIJOFKMKDT-SECBINFHSA-N 0 3 268.307 2.414 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CSCC(F)(F)F ZINC000128027271 365772608 /nfs/dbraw/zinc/77/26/08/365772608.db2.gz NYIGAJOSOXVPTE-JTQLQIEISA-N 0 3 298.374 2.225 10 0 CEAEHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([O-])ccc3F)CC[C@@H]21 ZINC000295026376 199306422 /nfs/dbraw/zinc/30/64/22/199306422.db2.gz SAKNXDWHEZEYNV-ABAIWWIYSA-N 0 3 292.354 2.088 10 0 CEAEHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([O-])ccc3F)CC[C@@H]21 ZINC000295026376 199306423 /nfs/dbraw/zinc/30/64/23/199306423.db2.gz SAKNXDWHEZEYNV-ABAIWWIYSA-N 0 3 292.354 2.088 10 0 CEAEHN CCOC(=O)c1ccc(N2C[C@@H](C)N(C)[C@H](C)C2)cc1 ZINC000113030096 344275770 /nfs/dbraw/zinc/27/57/70/344275770.db2.gz FFRKYQXPGWEEMW-CHWSQXEVSA-N 0 3 276.380 2.392 10 0 CEAEHN c1ccc(Nc2ccc([C@H]3CNCCO3)cc2)nc1 ZINC000113966438 344278767 /nfs/dbraw/zinc/27/87/67/344278767.db2.gz HZGIAPHFJJNOTP-CQSZACIVSA-N 0 3 255.321 2.486 10 0 CEAEHN COc1ccc(-c2noc([C@H]3CCCN3)n2)cc1C ZINC000129780885 344347026 /nfs/dbraw/zinc/34/70/26/344347026.db2.gz ZJTPIVQZTATSGZ-LLVKDONJSA-N 0 3 259.309 2.478 10 0 CEAEHN NCc1cncn1-c1ccccc1Br ZINC000130015186 344348853 /nfs/dbraw/zinc/34/88/53/344348853.db2.gz DXDUCPGNYOVLGN-UHFFFAOYSA-N 0 3 252.115 2.094 10 0 CEAEHN CCN1CCO[C@H](CNCc2cccc(OC(C)C)c2)C1 ZINC000134435112 344374416 /nfs/dbraw/zinc/37/44/16/344374416.db2.gz DZKKOQFCTQWQJG-QGZVFWFLSA-N 0 3 292.423 2.284 10 0 CEAEHN C[C@]1(C(=O)Nc2nc3c(s2)CCC3)CCCCN1 ZINC000136148037 344384288 /nfs/dbraw/zinc/38/42/88/344384288.db2.gz JPTRXSRWADDRGQ-CYBMUJFWSA-N 0 3 265.382 2.103 10 0 CEAEHN CCCCN1CCN(Cc2ccccc2)[C@@H]([C@@H](C)O)C1 ZINC000138991477 344391350 /nfs/dbraw/zinc/39/13/50/344391350.db2.gz OHZAEFMZUWVVEV-NVXWUHKLSA-N 0 3 276.424 2.354 10 0 CEAEHN CNc1ncc(Br)cc1CNC(C)C ZINC000166298432 344475984 /nfs/dbraw/zinc/47/59/84/344475984.db2.gz ZVWZWXIHVJIHGB-UHFFFAOYSA-N 0 3 258.163 2.384 10 0 CEAEHN CC(C)(N)C(=O)Cc1ccccc1Br ZINC000168666238 344481159 /nfs/dbraw/zinc/48/11/59/344481159.db2.gz VBVWXLDOISPEDR-UHFFFAOYSA-N 0 3 256.143 2.298 10 0 CEAEHN CCC(CC)N(CCOC)C(=O)N[C@H]1CCCN(CC)C1 ZINC000170833188 344490942 /nfs/dbraw/zinc/49/09/42/344490942.db2.gz GFUAOVYTFMTMOR-AWEZNQCLSA-N 0 3 299.459 2.317 10 0 CEAEHN C[C@@H](NC[C@@H](O)COC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000192477563 344517136 /nfs/dbraw/zinc/51/71/36/344517136.db2.gz KCMGXPGXHXMPOQ-DGCLKSJQSA-N 0 3 295.379 2.242 10 0 CEAEHN CCOC(=O)C[C@@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000234009153 344582757 /nfs/dbraw/zinc/58/27/57/344582757.db2.gz AHWBEJBKZMTJDD-DTWKUNHWSA-N 0 3 291.800 2.366 10 0 CEAEHN CCOCCN1CCN([C@H]2C=CCCC2)C[C@H]1C ZINC000246292373 344615538 /nfs/dbraw/zinc/61/55/38/344615538.db2.gz VDYHDFDUCVPING-CABCVRRESA-N 0 3 252.402 2.138 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000262110443 344653837 /nfs/dbraw/zinc/65/38/37/344653837.db2.gz GXXBXBIZKUXPJM-XQQFMLRXSA-N 0 3 270.417 2.214 10 0 CEAEHN COC(=O)c1csc(CN[C@@H](C)[C@H]2CCCO2)c1 ZINC000602510024 347062002 /nfs/dbraw/zinc/06/20/02/347062002.db2.gz IJZCSIIFGHGRBV-JOYOIKCWSA-N 0 3 269.366 2.192 10 0 CEAEHN [O-]c1ccc(C[NH2+]C2CSC2)cc1Br ZINC000306603144 344715259 /nfs/dbraw/zinc/71/52/59/344715259.db2.gz WVPNVMVKCZAZBG-UHFFFAOYSA-N 0 3 274.183 2.360 10 0 CEAEHN Fc1cc(CN2CC[C@@H]3OCCN[C@@H]3C2)ccc1Cl ZINC000404288397 344879030 /nfs/dbraw/zinc/87/90/30/344879030.db2.gz YVDPYVQXRKBVQL-KGLIPLIRSA-N 0 3 284.762 2.042 10 0 CEAEHN COc1ccc2ccnc(C3(C(=N)NO)CC3)c2c1 ZINC000584881161 344996282 /nfs/dbraw/zinc/99/62/82/344996282.db2.gz DHOVRLXNINJFBI-UHFFFAOYSA-N 0 3 257.293 2.231 10 0 CEAEHN CCc1ccc(CN(C(=O)[C@@H](C)NC)C2CC2)cc1 ZINC000054075023 362510508 /nfs/dbraw/zinc/51/05/08/362510508.db2.gz FBPLECMJMJQNAU-GFCCVEGCSA-N 0 3 260.381 2.348 10 0 CEAEHN CN[C@H](C[C@@H]1CCS(=O)(=O)C1)c1cc(C)ccc1F ZINC000097122228 185540374 /nfs/dbraw/zinc/54/03/74/185540374.db2.gz FYHCTYVXSXICOX-SMDDNHRTSA-N 0 3 285.384 2.219 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccccc2Cl)CCO1 ZINC000116928832 232200959 /nfs/dbraw/zinc/20/09/59/232200959.db2.gz FLYRJBMROLZEAJ-LLVKDONJSA-N 0 3 297.786 2.134 10 0 CEAEHN Cc1cc(C[C@H](N)c2ccn(-c3ccccc3)n2)n(C)n1 ZINC000097273404 185575190 /nfs/dbraw/zinc/57/51/90/185575190.db2.gz UQRKDBYNDREGEX-HNNXBMFYSA-N 0 3 281.363 2.157 10 0 CEAEHN CCc1nnsc1[C@@H](Cc1c(Cl)c(C)nn1C)NC ZINC000097273708 185575856 /nfs/dbraw/zinc/57/58/56/185575856.db2.gz WSCRPEXNGPTBMA-SECBINFHSA-N 0 3 299.831 2.299 10 0 CEAEHN CCc1nn(C)c(C[C@@H](NC)c2snnc2C)c1Cl ZINC000097276151 185576613 /nfs/dbraw/zinc/57/66/13/185576613.db2.gz KAZIAPFVOLFAQE-SECBINFHSA-N 0 3 299.831 2.299 10 0 CEAEHN CCN[C@@H](Cc1ncnn1C(C)C)c1ccc(C)nc1 ZINC000097277586 185576693 /nfs/dbraw/zinc/57/66/93/185576693.db2.gz IYNLNTZWZRYUQT-AWEZNQCLSA-N 0 3 273.384 2.456 10 0 CEAEHN C[C@H]1CC(NC(=O)[C@@H](N)Cc2ccccc2)C[C@@H](C)C1 ZINC000084977573 178936827 /nfs/dbraw/zinc/93/68/27/178936827.db2.gz SINIDMXPYBINHK-AMFJVREVSA-N 0 3 274.408 2.497 10 0 CEAEHN N[C@@H]1Cc2ccccc2N(C(=O)NC2CCCC2)C1 ZINC000094892016 136514903 /nfs/dbraw/zinc/51/49/03/136514903.db2.gz XOHXLHIPKVUFIU-GFCCVEGCSA-N 0 3 259.353 2.029 10 0 CEAEHN COc1ccc([C@@H](NN)C(C)(C)N2CCCC2)c(C)c1 ZINC000097581477 185629562 /nfs/dbraw/zinc/62/95/62/185629562.db2.gz NDBWPMLRHKYNKX-OAHLLOKOSA-N 0 3 277.412 2.382 10 0 CEAEHN CC[C@@](C)([C@H](Cc1c(F)cccc1F)NN)N(C)C ZINC000097583391 185631148 /nfs/dbraw/zinc/63/11/48/185631148.db2.gz MNBPZRBPTPVIHD-KBPBESRZSA-N 0 3 271.355 2.070 10 0 CEAEHN CN(C)C1([C@@H](NN)c2cccnc2)CCCCCC1 ZINC000097591532 185634667 /nfs/dbraw/zinc/63/46/67/185634667.db2.gz LCNFBLNEQUDBDX-AWEZNQCLSA-N 0 3 262.401 2.241 10 0 CEAEHN CC(C)(C)c1cccc(OC[C@@H](CO)NC2CC2)c1 ZINC000085286520 179003814 /nfs/dbraw/zinc/00/38/14/179003814.db2.gz CNEVUGIIEJJEOR-CQSZACIVSA-N 0 3 263.381 2.476 10 0 CEAEHN COCCSC[C@](CO)(NC(C)C)c1ccccc1 ZINC000085298008 179009194 /nfs/dbraw/zinc/00/91/94/179009194.db2.gz FNYOHKMXWHFGPZ-HNNXBMFYSA-N 0 3 283.437 2.252 10 0 CEAEHN NCc1ccccc1Oc1ncncc1Br ZINC000085467697 179072628 /nfs/dbraw/zinc/07/26/28/179072628.db2.gz ODWYBAMKCGLOCA-UHFFFAOYSA-N 0 3 280.125 2.490 10 0 CEAEHN C[C@H]1CN[C@H](c2ccccc2)CN1CCCn1ccnc1 ZINC000085504278 179085029 /nfs/dbraw/zinc/08/50/29/179085029.db2.gz FCCLBVGNOXKQSH-RDJZCZTQSA-N 0 3 284.407 2.308 10 0 CEAEHN C[C@H]1CN[C@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085504495 179084359 /nfs/dbraw/zinc/08/43/59/179084359.db2.gz GSXIUFRJFIRBJM-ZFWWWQNUSA-N 0 3 268.364 2.012 10 0 CEAEHN C[C@@H]1CN[C@@](C)(c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085531705 179091501 /nfs/dbraw/zinc/09/15/01/179091501.db2.gz BRPUYZLVBUCNEN-HYVNUMGLSA-N 0 3 274.408 2.375 10 0 CEAEHN C[C@@H]1CN[C@@](C)(c2ccccc2)CN1Cc1ncccn1 ZINC000085531671 179091975 /nfs/dbraw/zinc/09/19/75/179091975.db2.gz FYJZHOHBBUBGCQ-RHSMWYFYSA-N 0 3 282.391 2.186 10 0 CEAEHN CCCN[C@](C)(CCOc1cc(C)ccc1F)C(N)=O ZINC000085560994 179094215 /nfs/dbraw/zinc/09/42/15/179094215.db2.gz NJXQDMGKJVXWBA-OAHLLOKOSA-N 0 3 282.359 2.147 10 0 CEAEHN Cc1cnc(CN[C@H]2[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000085676372 179112392 /nfs/dbraw/zinc/11/23/92/179112392.db2.gz QDRIBUOMGSCHMF-RDBSUJKOSA-N 0 3 261.369 2.078 10 0 CEAEHN Cc1cc([C@H](NC(C)C)C(N)=O)ccc1Br ZINC000085707260 179121506 /nfs/dbraw/zinc/12/15/06/179121506.db2.gz KDFIPWWYJRUHTM-NSHDSACASA-N 0 3 285.185 2.282 10 0 CEAEHN CCCN[C@H](C(N)=O)c1ccc(Br)c(C)c1 ZINC000085707276 179121788 /nfs/dbraw/zinc/12/17/88/179121788.db2.gz JZMXXRBPGUYYNX-NSHDSACASA-N 0 3 285.185 2.284 10 0 CEAEHN CC(C)Cc1ccc([C@@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020036 179217879 /nfs/dbraw/zinc/21/78/79/179217879.db2.gz IAQWRDAWBZFLLY-LSDHHAIUSA-N 0 3 281.421 2.320 10 0 CEAEHN C[C@@H](O)CCNCC(=O)Nc1c(Cl)cccc1Cl ZINC000085989236 179213682 /nfs/dbraw/zinc/21/36/82/179213682.db2.gz BIVALYLYYCIOIM-MRVPVSSYSA-N 0 3 291.178 2.292 10 0 CEAEHN N[C@@H](c1ccc(F)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000086022860 179218745 /nfs/dbraw/zinc/21/87/45/179218745.db2.gz VAZQCLJEDNYBQB-ZUZCIYMTSA-N 0 3 293.363 2.413 10 0 CEAEHN Cc1cnc(CN2C[C@H](c3ccccc3)NC[C@@H]2C)cn1 ZINC000086263051 179259846 /nfs/dbraw/zinc/25/98/46/179259846.db2.gz CCDAZSIWPXBQJS-WMLDXEAASA-N 0 3 282.391 2.320 10 0 CEAEHN CN[C@H]1CCCc2sc(N(C)Cc3nccn3C)nc21 ZINC000086444054 179293920 /nfs/dbraw/zinc/29/39/20/179293920.db2.gz HJODWGLDEMZQKV-JTQLQIEISA-N 0 3 291.424 2.110 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)[C@@H](CC)CN1 ZINC000086447895 179296016 /nfs/dbraw/zinc/29/60/16/179296016.db2.gz OFBXXLSWMAUKSU-GJZGRUSLSA-N 0 3 289.423 2.355 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccccc2F)[C@@H](CC)CN1 ZINC000086447315 179295870 /nfs/dbraw/zinc/29/58/70/179295870.db2.gz ZZASFTGTWDLAEK-KGLIPLIRSA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2occc2C)[C@H](CC)CN1 ZINC000086446775 179295973 /nfs/dbraw/zinc/29/59/73/179295973.db2.gz PBOPWVWTKNJDEX-VXGBXAGGSA-N 0 3 250.342 2.191 10 0 CEAEHN COC(OC)[C@H](N)Cc1ccc(Cl)c(Cl)c1 ZINC000086451927 179296615 /nfs/dbraw/zinc/29/66/15/179296615.db2.gz KYWWJKHIPBCUMH-SNVBAGLBSA-N 0 3 264.152 2.482 10 0 CEAEHN Cc1cc(C)c(C(=O)N2C[C@@H](C)NC[C@H]2C)c(C)c1 ZINC000086467261 179297226 /nfs/dbraw/zinc/29/72/26/179297226.db2.gz RMSZSQKTVGAKPE-ZIAGYGMSSA-N 0 3 260.381 2.434 10 0 CEAEHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(Cl)cn1C1CC1 ZINC000086467584 179297979 /nfs/dbraw/zinc/29/79/79/179297979.db2.gz RZXBCPNMOZIPMF-VHSXEESVSA-N 0 3 281.787 2.299 10 0 CEAEHN CC(C)Oc1cccc(C(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000086467425 179297988 /nfs/dbraw/zinc/29/79/88/179297988.db2.gz TWZJVUPBZGDGBF-STQMWFEESA-N 0 3 276.380 2.296 10 0 CEAEHN COC[C@](C)(N)c1cscc1Br ZINC000086554046 179307107 /nfs/dbraw/zinc/30/71/07/179307107.db2.gz CVXKZANHHHGKRV-QMMMGPOBSA-N 0 3 250.161 2.331 10 0 CEAEHN CCN1CCO[C@H](CN)[C@@H]1c1ccc(OC)c(Cl)c1 ZINC000086584966 179308957 /nfs/dbraw/zinc/30/89/57/179308957.db2.gz XGFDQAJQEYGARP-KGLIPLIRSA-N 0 3 284.787 2.069 10 0 CEAEHN COc1ccc([C@H](NC2CCCC2)C(N)=O)cc1Cl ZINC000086595418 179311091 /nfs/dbraw/zinc/31/10/91/179311091.db2.gz SYQYQDDAOHHFLQ-ZDUSSCGKSA-N 0 3 282.771 2.407 10 0 CEAEHN C[C@H]1CN=C(NCCOc2ccccc2)SC1 ZINC000086633102 179314988 /nfs/dbraw/zinc/31/49/88/179314988.db2.gz XZHNRCVQWBOPLN-NSHDSACASA-N 0 3 250.367 2.394 10 0 CEAEHN COC[C@@H](NCc1cn(C)nc1C(C)C)C(C)C ZINC000086696463 179320690 /nfs/dbraw/zinc/32/06/90/179320690.db2.gz WHSXPLKKQPWOHJ-CYBMUJFWSA-N 0 3 253.390 2.304 10 0 CEAEHN C[C@@H](N[C@H]1CCC[C@@H]1S(C)(=O)=O)c1cccs1 ZINC000086671759 179317955 /nfs/dbraw/zinc/31/79/55/179317955.db2.gz ZFUBYPUCXMRKFD-SCVCMEIPSA-N 0 3 273.423 2.364 10 0 CEAEHN C[C@H](Cc1cccs1)N[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086673116 179318043 /nfs/dbraw/zinc/31/80/43/179318043.db2.gz BOIIJPFJPGXUOR-WXHSDQCUSA-N 0 3 287.450 2.234 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1cc2c(s1)CCC2 ZINC000086675450 179318406 /nfs/dbraw/zinc/31/84/06/179318406.db2.gz RXQJKWGPJUUMAM-TZMCWYRMSA-N 0 3 299.461 2.292 10 0 CEAEHN CN[C@@]1(c2nc3c(s2)CCC3)CCCN(C)CC1 ZINC000086833653 179349706 /nfs/dbraw/zinc/34/97/06/179349706.db2.gz XUOLJFUTPDYGKY-AWEZNQCLSA-N 0 3 265.426 2.162 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1ccc(Br)c(C)n1 ZINC000086808397 179340671 /nfs/dbraw/zinc/34/06/71/179340671.db2.gz RUNXSVOPRZJCIY-LLVKDONJSA-N 0 3 286.173 2.218 10 0 CEAEHN COCCN[C@@]1(c2nccs2)CCCN(C(C)C)CC1 ZINC000086851704 179359698 /nfs/dbraw/zinc/35/96/98/179359698.db2.gz KJXYCTHFUMGSEJ-HNNXBMFYSA-N 0 3 297.468 2.469 10 0 CEAEHN CCCN1CCC[C@@](C(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086867819 179360350 /nfs/dbraw/zinc/36/03/50/179360350.db2.gz ULLUXYMCVACJAK-OAHLLOKOSA-N 0 3 268.401 2.192 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CC)C[C@@H](C)C(=O)[O-])CC1 ZINC000086868945 179361826 /nfs/dbraw/zinc/36/18/26/179361826.db2.gz JWCQEESUGCCDKB-ZIAGYGMSSA-N 0 3 270.417 2.294 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CC)C[C@@H](C)C(=O)[O-])CC1 ZINC000086868945 179361828 /nfs/dbraw/zinc/36/18/28/179361828.db2.gz JWCQEESUGCCDKB-ZIAGYGMSSA-N 0 3 270.417 2.294 10 0 CEAEHN Cc1cc(Br)cc(N)c1OCCN(C)C ZINC000086854189 179358881 /nfs/dbraw/zinc/35/88/81/179358881.db2.gz ADBFHEPCGXUYNX-UHFFFAOYSA-N 0 3 273.174 2.280 10 0 CEAEHN Cc1cc([C@@H](N)[C@@H]2COCCO2)sc1Br ZINC000087019098 179381365 /nfs/dbraw/zinc/38/13/65/179381365.db2.gz PNSDEEJAXHEIHJ-CBAPKCEASA-N 0 3 292.198 2.234 10 0 CEAEHN CCn1nccc1[C@@H](NC)[C@@H]1CSCCS1 ZINC000086984812 179374215 /nfs/dbraw/zinc/37/42/15/179374215.db2.gz USRAECFTUZKURR-WDEREUQCSA-N 0 3 257.428 2.012 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1[C@@H](CN)c1ccc(OC)c(F)c1 ZINC000086991773 179375658 /nfs/dbraw/zinc/37/56/58/179375658.db2.gz HFHIYWXZPSLJEX-KYOSRNDESA-N 0 3 296.386 2.333 10 0 CEAEHN C[C@@H]1CCC[C@](O)(CNCc2cn3ccccc3n2)C1 ZINC000087064167 179390119 /nfs/dbraw/zinc/39/01/19/179390119.db2.gz IWKRDMKHFXETCJ-CZUORRHYSA-N 0 3 273.380 2.365 10 0 CEAEHN CNCC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000087153081 179397769 /nfs/dbraw/zinc/39/77/69/179397769.db2.gz RUONJOLZCBYOAM-UHFFFAOYSA-N 0 3 277.549 2.260 10 0 CEAEHN CN1CC[C@@](O)(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000087166274 179398575 /nfs/dbraw/zinc/39/85/75/179398575.db2.gz LLIWIBBMSPJDPS-GFCCVEGCSA-N 0 3 275.270 2.194 10 0 CEAEHN NCc1ccnnc1Oc1ccccc1Br ZINC000087614238 179454738 /nfs/dbraw/zinc/45/47/38/179454738.db2.gz YCUHJHRRNCGKTL-UHFFFAOYSA-N 0 3 280.125 2.490 10 0 CEAEHN CC(C)N1CCOC[C@@H](c2ccccc2CCO)C1 ZINC000616660755 348551968 /nfs/dbraw/zinc/55/19/68/348551968.db2.gz OJKVTUBJVASBBO-HNNXBMFYSA-N 0 3 263.381 2.046 10 0 CEAEHN CCN1CCCO[C@H](c2ccc3nnccc3c2)C1 ZINC000616648834 348547242 /nfs/dbraw/zinc/54/72/42/348547242.db2.gz DTBHAVKLZGEIGU-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(C)N1CCCO[C@@H](c2ccccc2CCO)C1 ZINC000616652748 348549064 /nfs/dbraw/zinc/54/90/64/348549064.db2.gz JMWWZPCWEWGWPM-MRXNPFEDSA-N 0 3 263.381 2.393 10 0 CEAEHN N[C@H]1CN(C(=O)CC2CC2)CC[C@@H]1c1cccc(F)c1 ZINC000616570031 348523699 /nfs/dbraw/zinc/52/36/99/348523699.db2.gz LLKGXOLQWNTFPA-CABCVRRESA-N 0 3 276.355 2.269 10 0 CEAEHN OCCN1CCC[C@H](c2nccc3ccccc32)C1 ZINC000616617663 348535692 /nfs/dbraw/zinc/53/56/92/348535692.db2.gz BQGPSEOIOSPOMS-AWEZNQCLSA-N 0 3 256.349 2.407 10 0 CEAEHN NC1(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CC1 ZINC000088130365 179553678 /nfs/dbraw/zinc/55/36/78/179553678.db2.gz FXOVPYMDWZNPBE-UHFFFAOYSA-N 0 3 282.746 2.461 10 0 CEAEHN CCN1CCOC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616662192 348552972 /nfs/dbraw/zinc/55/29/72/348552972.db2.gz XSFQZXAXKSNLKI-ZDUSSCGKSA-N 0 3 257.337 2.066 10 0 CEAEHN O[C@@H](c1cn2ccccc2n1)[C@@H]1NCc2ccccc21 ZINC000088627799 179643841 /nfs/dbraw/zinc/64/38/41/179643841.db2.gz VEDBXIUAKZZVCC-CVEARBPZSA-N 0 3 265.316 2.212 10 0 CEAEHN CC(C)CNCc1ccn(-c2ccc3c(c2)OCO3)n1 ZINC000089058840 179695754 /nfs/dbraw/zinc/69/57/54/179695754.db2.gz NFZKOBAXRQIKRQ-UHFFFAOYSA-N 0 3 273.336 2.347 10 0 CEAEHN Cc1nn(C)c(CN[C@@]2(CO)CCC[C@H](C)C2)c1Cl ZINC000089232878 179758772 /nfs/dbraw/zinc/75/87/72/179758772.db2.gz RXUKYTSDOOMPOS-HZMBPMFUSA-N 0 3 285.819 2.413 10 0 CEAEHN c1cn(C[C@@H]2CCCN2Cc2cccc3c2OCCO3)cn1 ZINC000178516833 542250355 /nfs/dbraw/zinc/25/03/55/542250355.db2.gz VXBHLILGRORTBV-HNNXBMFYSA-N 0 3 299.374 2.319 10 0 CEAEHN C[C@H](NC[C@](C)(O)CO)c1ccc(C(F)(F)F)cc1 ZINC000090285537 179948972 /nfs/dbraw/zinc/94/89/72/179948972.db2.gz GRNRTEMAPPZAIX-CABZTGNLSA-N 0 3 277.286 2.099 10 0 CEAEHN CCC1CCC(c2noc([C@]3(C)COC[C@@H]3N)n2)CC1 ZINC000090574133 180008781 /nfs/dbraw/zinc/00/87/81/180008781.db2.gz QYJUKOHKGVKUJT-RJVJFLMVSA-N 0 3 279.384 2.369 10 0 CEAEHN CC(C)c1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090580476 180008873 /nfs/dbraw/zinc/00/88/73/180008873.db2.gz DFMNRKDJTAAQSI-ZFWWWQNUSA-N 0 3 262.353 2.112 10 0 CEAEHN CC(C)C[C@H](NC(=O)[C@]1(C)COC[C@@H]1N)c1ccccc1 ZINC000090587259 180009420 /nfs/dbraw/zinc/00/94/20/180009420.db2.gz HEZUXYNKIJQJOR-YQQAZPJKSA-N 0 3 290.407 2.254 10 0 CEAEHN CN[C@@](CO)(CO[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000090676022 180022344 /nfs/dbraw/zinc/02/23/44/180022344.db2.gz YKSQOMXJDRTPGN-JQWIXIFHSA-N 0 3 277.286 2.061 10 0 CEAEHN CCOc1cc(Nc2ccccc2CN)nc(C)n1 ZINC000090788385 180041614 /nfs/dbraw/zinc/04/16/14/180041614.db2.gz UFSJOVUXCXBTST-UHFFFAOYSA-N 0 3 258.325 2.386 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC[C@H](C)[S@](C)=O ZINC000090843091 180044592 /nfs/dbraw/zinc/04/45/92/180044592.db2.gz QHXRZMYHSQIANI-OAVHHTNSSA-N 0 3 269.410 2.421 10 0 CEAEHN CNCc1cnn(C[C@H]2Cc3cc(F)ccc3O2)c1C ZINC000090895590 180056187 /nfs/dbraw/zinc/05/61/87/180056187.db2.gz XQTLOLJQHXHYET-CQSZACIVSA-N 0 3 275.327 2.054 10 0 CEAEHN OC1CCN(C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900889 180058573 /nfs/dbraw/zinc/05/85/73/180058573.db2.gz GQVLJDUZLJJTDC-CYBMUJFWSA-N 0 3 267.756 2.100 10 0 CEAEHN OC[C@H]1CCCN1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900974 180059151 /nfs/dbraw/zinc/05/91/51/180059151.db2.gz UDKBYYUYLPMZDM-OLZOCXBDSA-N 0 3 267.756 2.100 10 0 CEAEHN CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)[C@@H](CC)CN1 ZINC000090985576 180080655 /nfs/dbraw/zinc/08/06/55/180080655.db2.gz HLIMOZXRWZPLAH-IJEWVQPXSA-N 0 3 272.392 2.315 10 0 CEAEHN CCCn1ccc(CN[C@H](CC(C)C)C(=O)N(C)C)c1 ZINC000091010321 180086377 /nfs/dbraw/zinc/08/63/77/180086377.db2.gz VJDBGBOROGCELT-OAHLLOKOSA-N 0 3 279.428 2.491 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)C[C@@H]2CSCCN2)s1 ZINC000091137823 180105722 /nfs/dbraw/zinc/10/57/22/180105722.db2.gz JHUBHAPYEJKZMT-MWLCHTKSSA-N 0 3 299.465 2.032 10 0 CEAEHN c1nn(-c2ccncc2)c(C2CC2)c1CNC1CC1 ZINC000091337134 180136441 /nfs/dbraw/zinc/13/64/41/180136441.db2.gz QUHLHLDWKIIVKG-UHFFFAOYSA-N 0 3 254.337 2.397 10 0 CEAEHN COCCNCc1cc(F)ccc1S[C@@H](C)CCO ZINC000091268282 180117253 /nfs/dbraw/zinc/11/72/53/180117253.db2.gz XWQDPIODJKJIEA-NSHDSACASA-N 0 3 287.400 2.425 10 0 CEAEHN N[C@@H]1CCCc2nc(-c3cncn3C3CC3)ncc21 ZINC000091274873 180118838 /nfs/dbraw/zinc/11/88/38/180118838.db2.gz QCFREVGYGYOZDR-LLVKDONJSA-N 0 3 255.325 2.011 10 0 CEAEHN CC(C)[C@H](C)N(C)[C@@H](CN)c1cncn1C1CC1 ZINC000091276268 180120108 /nfs/dbraw/zinc/12/01/08/180120108.db2.gz BHFIOCFWYFPBHT-AAEUAGOBSA-N 0 3 250.390 2.194 10 0 CEAEHN Clc1ccc2oc(C[C@@H]3CNCCO3)nc2c1 ZINC000091295229 180124665 /nfs/dbraw/zinc/12/46/65/180124665.db2.gz LPUIEIPKYNHOOR-SECBINFHSA-N 0 3 252.701 2.012 10 0 CEAEHN CC(C)[C@@H](NC(=O)C[C@@H]1CNCCO1)c1ccc(F)cc1 ZINC000091299869 180126836 /nfs/dbraw/zinc/12/68/36/180126836.db2.gz PQBIKTHZUMGLNK-GDBMZVCRSA-N 0 3 294.370 2.018 10 0 CEAEHN CCCc1nc(N2CCC[C@H](N(C)C)C2)sc1C=O ZINC000091433259 180154525 /nfs/dbraw/zinc/15/45/25/180154525.db2.gz CAGFLWJDERYMKI-NSHDSACASA-N 0 3 281.425 2.439 10 0 CEAEHN CO[C@@H]1CCC[C@@H](Oc2cncc(CNC(C)C)n2)C1 ZINC000091435423 180154754 /nfs/dbraw/zinc/15/47/54/180154754.db2.gz GBGROLFAGAKWNO-ZIAGYGMSSA-N 0 3 279.384 2.311 10 0 CEAEHN Cc1ccc(C(=O)CN2CCC[C@H](N(C)C)C2)cc1 ZINC000091395571 180146522 /nfs/dbraw/zinc/14/65/22/180146522.db2.gz FZXPEEIUDNTIPJ-HNNXBMFYSA-N 0 3 260.381 2.204 10 0 CEAEHN c1ncc(CN[C@@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000091415111 180148956 /nfs/dbraw/zinc/14/89/56/180148956.db2.gz MXXVAJWIKCWLOC-OAHLLOKOSA-N 0 3 271.364 2.429 10 0 CEAEHN COc1ccc([C@H](C)NCC2CC(O)C2)c(F)c1 ZINC000091415519 180149426 /nfs/dbraw/zinc/14/94/26/180149426.db2.gz PMFXAZFTMCDFKS-WHXUTIOJSA-N 0 3 253.317 2.256 10 0 CEAEHN CC(C)NCc1cncc(N(C)CCC(F)(F)F)n1 ZINC000091422101 180151367 /nfs/dbraw/zinc/15/13/67/180151367.db2.gz IISOBPXYFQHRNJ-UHFFFAOYSA-N 0 3 276.306 2.363 10 0 CEAEHN CC(C)CNCc1cncc(OCC(F)(F)F)n1 ZINC000091422751 180151505 /nfs/dbraw/zinc/15/15/05/180151505.db2.gz XRCSPNLTBWJYNE-UHFFFAOYSA-N 0 3 263.263 2.163 10 0 CEAEHN Cc1ncn(-c2cncc(CNCC(C)C)n2)c1C ZINC000091422491 180151518 /nfs/dbraw/zinc/15/15/18/180151518.db2.gz HMFGMBTYYWFNRU-UHFFFAOYSA-N 0 3 259.357 2.025 10 0 CEAEHN C[C@H](NC1CC(O)C1)c1ccc2c(c1)OCCCO2 ZINC000091426390 180152200 /nfs/dbraw/zinc/15/22/00/180152200.db2.gz NSMPZBTZMXJVFB-PKSQDBQZSA-N 0 3 263.337 2.022 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](N(C)C)C2)o1 ZINC000105087010 186040421 /nfs/dbraw/zinc/04/04/21/186040421.db2.gz WTDGMGVMLGARLE-QWHCGFSZSA-N 0 3 279.384 2.385 10 0 CEAEHN CCn1ccnc1[C@H](NC)C(C)(C)N1CCCCC1 ZINC000091564922 180193462 /nfs/dbraw/zinc/19/34/62/180193462.db2.gz IRBCHXFXHNJZCF-ZDUSSCGKSA-N 0 3 264.417 2.428 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)N(C)C2CC2)o1 ZINC000105087032 186041337 /nfs/dbraw/zinc/04/13/37/186041337.db2.gz IADNSBCEAPFQJA-JQWIXIFHSA-N 0 3 279.384 2.431 10 0 CEAEHN Cc1ccc([C@@H](N)C(C)(C)N2CCOCC2)s1 ZINC000091566412 180194017 /nfs/dbraw/zinc/19/40/17/180194017.db2.gz CPRAXWAIHXZMAR-GFCCVEGCSA-N 0 3 254.399 2.167 10 0 CEAEHN CC(C)([C@H](N)c1cccc(Cl)c1)N1CCOCC1 ZINC000091566239 180194042 /nfs/dbraw/zinc/19/40/42/180194042.db2.gz LQZHUGJSOPTLDB-CYBMUJFWSA-N 0 3 268.788 2.451 10 0 CEAEHN Cc1cc([C@H](N)C(C)(C)N2CCOCC2)cs1 ZINC000091566277 180194256 /nfs/dbraw/zinc/19/42/56/180194256.db2.gz MHYIWXIQUHNILN-LBPRGKRZSA-N 0 3 254.399 2.167 10 0 CEAEHN CCN[C@H](c1cnccc1N)[C@@](C)(CC)N(C)C ZINC000091571209 180195311 /nfs/dbraw/zinc/19/53/11/180195311.db2.gz WNNFZCXFRMDGGQ-ZIAGYGMSSA-N 0 3 250.390 2.045 10 0 CEAEHN CC[C@](C)([C@@H](NC)c1cncnc1)N1CCCCC1 ZINC000091609656 180205180 /nfs/dbraw/zinc/20/51/80/180205180.db2.gz WACQUKVVJCWXCL-LSDHHAIUSA-N 0 3 262.401 2.392 10 0 CEAEHN CCCn1cc([C@@H](NC)[C@](C)(CC)N2CCOCC2)cn1 ZINC000091612656 180207240 /nfs/dbraw/zinc/20/72/40/180207240.db2.gz NMAPJODUBDSNPG-CVEARBPZSA-N 0 3 294.443 2.055 10 0 CEAEHN CCn1nc(C)cc1CC(=O)C(CC)(CC)N(C)C ZINC000091613371 180208011 /nfs/dbraw/zinc/20/80/11/180208011.db2.gz YFMLHMWKCRCGDJ-UHFFFAOYSA-N 0 3 265.401 2.443 10 0 CEAEHN COc1ccc(OC)c([C@H](O)C(C)(C)N(C)C)c1 ZINC000091528322 180179547 /nfs/dbraw/zinc/17/95/47/180179547.db2.gz PLMLXGAYPBFCFZ-ZDUSSCGKSA-N 0 3 253.342 2.077 10 0 CEAEHN CCCn1nccc1[C@H](N)C(C)(C)N1CCCC1 ZINC000091533822 180181202 /nfs/dbraw/zinc/18/12/02/180181202.db2.gz ZGMYXAOZJJRIEI-ZDUSSCGKSA-N 0 3 250.390 2.167 10 0 CEAEHN CCC(CC)(C(=O)Cc1cnn(C)c1)N1CCCC1 ZINC000091634232 180210495 /nfs/dbraw/zinc/21/04/95/180210495.db2.gz LDILFLXMGDTIGF-UHFFFAOYSA-N 0 3 263.385 2.186 10 0 CEAEHN CN(C)C1([C@H](N)c2cc(Cl)cnc2N)CCCC1 ZINC000091637179 180210835 /nfs/dbraw/zinc/21/08/35/180210835.db2.gz IYAYFXXLRHGCRX-LLVKDONJSA-N 0 3 268.792 2.191 10 0 CEAEHN C[C@H]1CCC[C@](C(=O)Cc2cnn(C)c2)(N(C)C)C1 ZINC000091650066 180216120 /nfs/dbraw/zinc/21/61/20/180216120.db2.gz APHHWEUBSMYUPM-WFASDCNBSA-N 0 3 263.385 2.042 10 0 CEAEHN C[C@@H]1CCC[C@@](C(=O)Cc2ccnc(N)c2)(N(C)C)C1 ZINC000091649788 180216451 /nfs/dbraw/zinc/21/64/51/180216451.db2.gz SGUTYDHLLZCSJA-MLGOLLRUSA-N 0 3 275.396 2.286 10 0 CEAEHN CN[C@H](c1cnccn1)[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652599 180217238 /nfs/dbraw/zinc/21/72/38/180217238.db2.gz RORGFHMMQOWEIB-BPLDGKMQSA-N 0 3 262.401 2.248 10 0 CEAEHN Cc1cc(CC(=O)C2(N(C)C)CCCCCC2)n(C)n1 ZINC000091653535 180217379 /nfs/dbraw/zinc/21/73/79/180217379.db2.gz SBBSFSWAHIDOGK-UHFFFAOYSA-N 0 3 277.412 2.495 10 0 CEAEHN CN[C@@H](c1ccc2ccccc2c1)[C@H]1CN(C)CCO1 ZINC000091717573 180232809 /nfs/dbraw/zinc/23/28/09/180232809.db2.gz VCTHAAQHYGMVQP-SJORKVTESA-N 0 3 270.376 2.431 10 0 CEAEHN CCN[C@@H](c1ccc(F)cc1C)[C@H]1CN(C)CCO1 ZINC000091718716 180233217 /nfs/dbraw/zinc/23/32/17/180233217.db2.gz ZBAYTFDSEJKCDT-CABCVRRESA-N 0 3 266.360 2.115 10 0 CEAEHN CCN[C@@H](c1cncc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000091718898 180233328 /nfs/dbraw/zinc/23/33/28/180233328.db2.gz VYOAUZZVJRMOPO-IRXDYDNUSA-N 0 3 285.391 2.216 10 0 CEAEHN N[C@H](c1ccc(Cl)cc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720808 180234981 /nfs/dbraw/zinc/23/49/81/180234981.db2.gz ZNZWZHFEVDJQEP-MGPQQGTHSA-N 0 3 266.772 2.203 10 0 CEAEHN CCCOc1ccc([C@H](N)[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091720723 180235700 /nfs/dbraw/zinc/23/57/00/180235700.db2.gz BLJCRWMYGHFWMM-OIISXLGYSA-N 0 3 290.407 2.338 10 0 CEAEHN COc1ccccc1NC(=O)Cn1cccc1[C@@H](C)N ZINC000091799835 180258794 /nfs/dbraw/zinc/25/87/94/180258794.db2.gz MAYBZRJUNRQJTE-LLVKDONJSA-N 0 3 273.336 2.155 10 0 CEAEHN CN[C@H](C)c1cccn1CC(=O)NC1CCCCC1 ZINC000091800452 180258880 /nfs/dbraw/zinc/25/88/80/180258880.db2.gz NKWGCBBEVORZDG-GFCCVEGCSA-N 0 3 263.385 2.217 10 0 CEAEHN CCCN[C@H](c1ccco1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722197 180241017 /nfs/dbraw/zinc/24/10/17/180241017.db2.gz SPQRLIKXOZTZTL-VHDGCEQUSA-N 0 3 264.369 2.184 10 0 CEAEHN C[C@]1(c2nc3ccc(F)cc3s2)COC[C@H]1N ZINC000091939627 180289189 /nfs/dbraw/zinc/28/91/89/180289189.db2.gz SAMKPPORSFOBGZ-PWSUYJOCSA-N 0 3 252.314 2.051 10 0 CEAEHN N=C(N)c1c(F)cccc1NC(=O)N1CCCCC1 ZINC000091969857 180295036 /nfs/dbraw/zinc/29/50/36/180295036.db2.gz JWSABMJCAKRTTM-UHFFFAOYSA-N 0 3 264.304 2.128 10 0 CEAEHN CN[C@H](C)c1cc(Cl)ccc1OC[C@@H]1CN(C)CCO1 ZINC000092054411 180314687 /nfs/dbraw/zinc/31/46/87/180314687.db2.gz SEFSREZQGYWUGJ-YPMHNXCESA-N 0 3 298.814 2.330 10 0 CEAEHN Cc1nonc1COc1ccc(C)nc1CNCC(C)C ZINC000091996331 180301955 /nfs/dbraw/zinc/30/19/55/180301955.db2.gz RLOZYIUFCYEMCE-UHFFFAOYSA-N 0 3 290.367 2.406 10 0 CEAEHN Cc1ccc(O[C@@H](C)C(=O)NC(C)C)c(CNC(C)C)n1 ZINC000091995593 180302146 /nfs/dbraw/zinc/30/21/46/180302146.db2.gz VPYHUNJCBKNCEI-ZDUSSCGKSA-N 0 3 293.411 2.180 10 0 CEAEHN CCCNCc1nc(C)ccc1OCC(C)(C)O ZINC000091995213 180302172 /nfs/dbraw/zinc/30/21/72/180302172.db2.gz UNIVZIIQJZUHGB-UHFFFAOYSA-N 0 3 252.358 2.039 10 0 CEAEHN CCOC(=O)COc1ccc(C)nc1CNC(C)(C)C ZINC000091996290 180302294 /nfs/dbraw/zinc/30/22/94/180302294.db2.gz NLZGCTIVPDIFCV-UHFFFAOYSA-N 0 3 280.368 2.220 10 0 CEAEHN Cc1cccc(CN2CCCN(c3cccnn3)CC2)c1 ZINC000105798715 186072078 /nfs/dbraw/zinc/07/20/78/186072078.db2.gz HULBUXFISKHLEZ-UHFFFAOYSA-N 0 3 282.391 2.497 10 0 CEAEHN CCCN[C@H](c1cc(C)cnc1N)C(C)(C)OC ZINC000092140053 180333669 /nfs/dbraw/zinc/33/36/69/180333669.db2.gz ATJNYHXENZJYLT-GFCCVEGCSA-N 0 3 251.374 2.438 10 0 CEAEHN CNCc1nc(C(C)C)ncc1N1C[C@@H](C)[C@H](C)C1 ZINC000092088900 180321852 /nfs/dbraw/zinc/32/18/52/180321852.db2.gz MLGQIAANKXQRGU-VXGBXAGGSA-N 0 3 262.401 2.412 10 0 CEAEHN CCNCc1cnn(C[C@H]2COc3ccccc32)c1C ZINC000092306677 180360565 /nfs/dbraw/zinc/36/05/65/180360565.db2.gz SWRFOOJQPQLNGU-AWEZNQCLSA-N 0 3 271.364 2.477 10 0 CEAEHN CC[C@H]1CN(CCc2ccccc2)CCN1CCOC ZINC000105836397 186075726 /nfs/dbraw/zinc/07/57/26/186075726.db2.gz XJPKUPOBFGHHQV-KRWDZBQOSA-N 0 3 276.424 2.272 10 0 CEAEHN COCCNCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000105852355 186078996 /nfs/dbraw/zinc/07/89/96/186078996.db2.gz AJECJEKXBATJJI-ZDUSSCGKSA-N 0 3 278.396 2.223 10 0 CEAEHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCc3ncnn3C2)o1 ZINC000105906415 186088218 /nfs/dbraw/zinc/08/82/18/186088218.db2.gz UHSOPKMTLJJKOL-NQBHXWOUSA-N 0 3 272.352 2.099 10 0 CEAEHN CC(C)c1nc(CN2CCO[C@@H](CN(C)C)C2)cs1 ZINC000105924949 186090867 /nfs/dbraw/zinc/09/08/67/186090867.db2.gz GMSIGLZDJXDJCV-ZDUSSCGKSA-N 0 3 283.441 2.029 10 0 CEAEHN CC[C@@H]1CN(Cc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000106103932 186102317 /nfs/dbraw/zinc/10/23/17/186102317.db2.gz UDHRJHWNQIKUSK-CZUORRHYSA-N 0 3 280.387 2.103 10 0 CEAEHN Cc1noc(C)c1[C@@H](C)NC[C@H](O)COC(C)(C)C ZINC000092339406 180365071 /nfs/dbraw/zinc/36/50/71/180365071.db2.gz BFDCCPSEFHYXBA-SKDRFNHKSA-N 0 3 270.373 2.118 10 0 CEAEHN Cc1cc(CN(C)CC(N)=S)c2ccccc2n1 ZINC000092347794 180367703 /nfs/dbraw/zinc/36/77/03/180367703.db2.gz JMIQQWDTZRGGED-UHFFFAOYSA-N 0 3 259.378 2.261 10 0 CEAEHN CCNc1cccc(CN(C)[C@@H]2CCSC2)n1 ZINC000092368317 180369937 /nfs/dbraw/zinc/36/99/37/180369937.db2.gz YHTAZKXITJLZQO-GFCCVEGCSA-N 0 3 251.399 2.451 10 0 CEAEHN CNc1cccc(CN(CCOC)[C@H](C)C2CC2)n1 ZINC000092369479 180370471 /nfs/dbraw/zinc/37/04/71/180370471.db2.gz AWVMZESWPDMMJU-GFCCVEGCSA-N 0 3 263.385 2.370 10 0 CEAEHN CCc1ccc([C@H](C)NC[C@@H]2CN(C)CCO2)cc1 ZINC000106388064 186112973 /nfs/dbraw/zinc/11/29/73/186112973.db2.gz BIZJMJQBNUGBDX-XJKSGUPXSA-N 0 3 262.397 2.230 10 0 CEAEHN CCNc1ccnc(CN2CCC[C@H](C(=O)OCC)C2)c1 ZINC000092417870 180381412 /nfs/dbraw/zinc/38/14/12/180381412.db2.gz DWCDKZDOVZAGRE-ZDUSSCGKSA-N 0 3 291.395 2.289 10 0 CEAEHN COc1ccc(CN)c(OCc2cccc(C)n2)c1 ZINC000092427512 180383404 /nfs/dbraw/zinc/38/34/04/180383404.db2.gz POIHIFSOUMOZFZ-UHFFFAOYSA-N 0 3 258.321 2.436 10 0 CEAEHN Cn1cnnc1CCNCc1ccccc1C(F)(F)F ZINC000109420863 186251563 /nfs/dbraw/zinc/25/15/63/186251563.db2.gz JEPAMJPTVPFODT-UHFFFAOYSA-N 0 3 284.285 2.166 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NCCc1nncn1C ZINC000109421186 186251641 /nfs/dbraw/zinc/25/16/41/186251641.db2.gz VHPAEKHEFUCVFR-GFCCVEGCSA-N 0 3 274.368 2.025 10 0 CEAEHN CC[C@H](C(N)=S)N1CCN(Cc2ccccc2F)CC1 ZINC000109469550 186253845 /nfs/dbraw/zinc/25/38/45/186253845.db2.gz FCPQWQSHIQZNDA-CQSZACIVSA-N 0 3 295.427 2.008 10 0 CEAEHN CC[C@@H](C(N)=S)N1CCN(Cc2ccccc2C)CC1 ZINC000109469812 186254440 /nfs/dbraw/zinc/25/44/40/186254440.db2.gz PHNTWVFARNDNJO-HNNXBMFYSA-N 0 3 291.464 2.177 10 0 CEAEHN CCc1nc(-c2ccc3c(c2)CCO3)nc(NN)c1C ZINC000110477638 186299471 /nfs/dbraw/zinc/29/94/71/186299471.db2.gz YZSHKKSUPMWJPA-UHFFFAOYSA-N 0 3 270.336 2.235 10 0 CEAEHN Cc1cc(C)c(CNC2CC2)c(O[C@H]2CCOC2)n1 ZINC000110532419 186302088 /nfs/dbraw/zinc/30/20/88/186302088.db2.gz UQLVHDNFGBSIIA-ZDUSSCGKSA-N 0 3 262.353 2.118 10 0 CEAEHN CCOc1cc(NCCN2CCCC2)c(N)cc1F ZINC000110634555 186307325 /nfs/dbraw/zinc/30/73/25/186307325.db2.gz RBZUWXTUDKBLHT-UHFFFAOYSA-N 0 3 267.348 2.314 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2[C@H](C)Cn1ccnc1 ZINC000110629855 186308132 /nfs/dbraw/zinc/30/81/32/186308132.db2.gz BDNBSKHPDWDHFN-SECBINFHSA-N 0 3 289.314 2.224 10 0 CEAEHN C[C@H]1CCCN(C(=O)[C@H](CN)Cc2ccccc2)CC1 ZINC000110808166 186326478 /nfs/dbraw/zinc/32/64/78/186326478.db2.gz GEVYNJZAFYCTPP-HOCLYGCPSA-N 0 3 274.408 2.453 10 0 CEAEHN CCOC(=O)[C@H](CN(C)CC1CCCC1)NC(C)C ZINC000110841131 186328390 /nfs/dbraw/zinc/32/83/90/186328390.db2.gz QJZKCRHIAIIHDG-AWEZNQCLSA-N 0 3 270.417 2.038 10 0 CEAEHN CO[C@@H]1CCC[C@H]1NCc1n[nH]nc1-c1ccccc1 ZINC000110925357 186334056 /nfs/dbraw/zinc/33/40/56/186334056.db2.gz IVEZRZGZHCORFQ-TZMCWYRMSA-N 0 3 272.352 2.129 10 0 CEAEHN CO[C@@H]1CCC[C@H]1NCc1[nH]nnc1-c1ccccc1 ZINC000110925357 186334057 /nfs/dbraw/zinc/33/40/57/186334057.db2.gz IVEZRZGZHCORFQ-TZMCWYRMSA-N 0 3 272.352 2.129 10 0 CEAEHN Cc1ccc([C@@H](NC2CCCC2)C(N)=O)cc1F ZINC000110978246 186339301 /nfs/dbraw/zinc/33/93/01/186339301.db2.gz NNJITGWBOPRJRW-CYBMUJFWSA-N 0 3 250.317 2.193 10 0 CEAEHN CCN1CCN([C@@H](CN)c2ccc(C)s2)C[C@@H]1C ZINC000110702710 186314710 /nfs/dbraw/zinc/31/47/10/186314710.db2.gz XFKMNHGNZAXLKU-AAEUAGOBSA-N 0 3 267.442 2.082 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(Cl)nc2)CCN1C ZINC000110717568 186316511 /nfs/dbraw/zinc/31/65/11/186316511.db2.gz FYHDNIJDACOFNL-LBPRGKRZSA-N 0 3 253.777 2.261 10 0 CEAEHN C[C@@H]1CCC(=O)[C@@H](CN2CCN(C)C(C)(C)C2)C1 ZINC000110744128 186318558 /nfs/dbraw/zinc/31/85/58/186318558.db2.gz MICCIVTXSXIZMG-CHWSQXEVSA-N 0 3 252.402 2.018 10 0 CEAEHN C[C@H]1CN(Cc2c3ccccc3oc2CN)CCN1C ZINC000110751022 186319970 /nfs/dbraw/zinc/31/99/70/186319970.db2.gz VEHXOPGPQIWKGS-LBPRGKRZSA-N 0 3 273.380 2.027 10 0 CEAEHN C[C@H]1CN(Cc2ccc(CNC(C)(C)C)o2)CCN1C ZINC000110751627 186320522 /nfs/dbraw/zinc/32/05/22/186320522.db2.gz ZJEVKSHXKWJVJX-ZDUSSCGKSA-N 0 3 279.428 2.304 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCCCN1 ZINC000110777712 186324587 /nfs/dbraw/zinc/32/45/87/186324587.db2.gz QJJGFKNCSHYFHU-NSHDSACASA-N 0 3 296.392 2.314 10 0 CEAEHN CN[C@H](C)c1cc(F)ccc1SCCS(C)(=O)=O ZINC000111005082 186342642 /nfs/dbraw/zinc/34/26/42/186342642.db2.gz KOPOQCDESRTSCT-SECBINFHSA-N 0 3 291.413 2.243 10 0 CEAEHN CN(C(=O)c1c(N)cccc1Cl)[C@@H]1CCCN(C)C1 ZINC000111012532 186343149 /nfs/dbraw/zinc/34/31/49/186343149.db2.gz SUVHWYUJYYNJJJ-SNVBAGLBSA-N 0 3 281.787 2.088 10 0 CEAEHN CC(C)[C@@H](CN(C)C)NC(=O)c1c(N)cccc1Cl ZINC000111011718 186343260 /nfs/dbraw/zinc/34/32/60/186343260.db2.gz RNVHFOFEMJXKCQ-GFCCVEGCSA-N 0 3 283.803 2.238 10 0 CEAEHN COc1ccc(C)cc1[C@H](N)CN(C)C[C@@H]1CCCOC1 ZINC000111160254 186362128 /nfs/dbraw/zinc/36/21/28/186362128.db2.gz LAEISFPLLGCAJL-GOEBONIOSA-N 0 3 292.423 2.362 10 0 CEAEHN CN(CC1CCOCC1)[C@@H](CN)c1c(F)cccc1F ZINC000111159626 186362574 /nfs/dbraw/zinc/36/25/74/186362574.db2.gz WOQCYLCCJMJYKL-AWEZNQCLSA-N 0 3 284.350 2.323 10 0 CEAEHN COc1ncnc(OC)c1CNC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111075796 186350791 /nfs/dbraw/zinc/35/07/91/186350791.db2.gz CEHDKWVXAOJGIO-TUAOUCFPSA-N 0 3 277.368 2.020 10 0 CEAEHN CCCOCCOC[C@H](NC)c1ccc2c(c1)OCO2 ZINC000111108585 186353440 /nfs/dbraw/zinc/35/34/40/186353440.db2.gz DECBTKRKQCJFLD-ZDUSSCGKSA-N 0 3 281.352 2.119 10 0 CEAEHN CN(C)CCN(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000111135559 186357473 /nfs/dbraw/zinc/35/74/73/186357473.db2.gz DRKABTVXQIFOAH-UHFFFAOYSA-N 0 3 276.167 2.022 10 0 CEAEHN Cc1ccc(C(=O)[C@@H](C)N(C)CCN(C)C)cc1C ZINC000111139668 186357515 /nfs/dbraw/zinc/35/75/15/186357515.db2.gz CKTFPNPZLDQKJC-CQSZACIVSA-N 0 3 262.397 2.368 10 0 CEAEHN CN(C)CCN(C)CCNc1cccc(Cl)c1 ZINC000111150615 186360116 /nfs/dbraw/zinc/36/01/16/186360116.db2.gz KXVMRCWCRXITTN-UHFFFAOYSA-N 0 3 255.793 2.245 10 0 CEAEHN CCc1nc(N(C)C[C@H]2CCCOC2)sc1CN ZINC000111177404 186365465 /nfs/dbraw/zinc/36/54/65/186365465.db2.gz BFCINGRGHCSEJJ-SNVBAGLBSA-N 0 3 269.414 2.027 10 0 CEAEHN CN(C[C@@H]1CCCOC1)c1ncc(CN)cc1Cl ZINC000111173927 186365956 /nfs/dbraw/zinc/36/59/56/186365956.db2.gz OVYSRSVVRAPJRF-JTQLQIEISA-N 0 3 269.776 2.057 10 0 CEAEHN CN(C(=O)c1ccc(CN)cn1)[C@@H]1CCc2ccccc21 ZINC000111281560 186387873 /nfs/dbraw/zinc/38/78/73/186387873.db2.gz REJXVEKLRXAVRT-MRXNPFEDSA-N 0 3 281.359 2.300 10 0 CEAEHN CCOc1cccc(NC(=O)c2ccc(CN)cn2)c1 ZINC000111281889 186387970 /nfs/dbraw/zinc/38/79/70/186387970.db2.gz RPMYAHOSDANWKM-UHFFFAOYSA-N 0 3 271.320 2.191 10 0 CEAEHN CCN(C(=O)c1ccc(CN)cn1)C1CCCCC1 ZINC000111281090 186388269 /nfs/dbraw/zinc/38/82/69/186388269.db2.gz FGVSUVGWSDDJQG-UHFFFAOYSA-N 0 3 261.369 2.335 10 0 CEAEHN C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(CN)cn2)C1 ZINC000111281755 186388408 /nfs/dbraw/zinc/38/84/08/186388408.db2.gz DUJCWYDPAZAKRN-DGCLKSJQSA-N 0 3 261.369 2.191 10 0 CEAEHN C[C@@H](NC(=O)c1ccc(CN)cn1)c1ccccc1F ZINC000111281854 186388580 /nfs/dbraw/zinc/38/85/80/186388580.db2.gz NPHCSGLMNFAVBB-SNVBAGLBSA-N 0 3 273.311 2.170 10 0 CEAEHN CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)c1ccc(CN)cn1 ZINC000111282633 186390270 /nfs/dbraw/zinc/39/02/70/186390270.db2.gz GSEDTUDBCFCECN-IACUBPJLSA-N 0 3 273.380 2.049 10 0 CEAEHN CC(C)CN(CCN(C)C)C(=O)OCC(F)(F)F ZINC000112829424 186535074 /nfs/dbraw/zinc/53/50/74/186535074.db2.gz XADISRQIYGNWGH-UHFFFAOYSA-N 0 3 270.295 2.205 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1[nH]nc2ccccc21 ZINC000070287203 363067874 /nfs/dbraw/zinc/06/78/74/363067874.db2.gz DPWIGJZZJPMZGZ-GFCCVEGCSA-N 0 3 288.395 2.269 10 0 CEAEHN CC(C)n1cccc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000121997706 187009512 /nfs/dbraw/zinc/00/95/12/187009512.db2.gz XXIZFFCLADZRKF-ZIAGYGMSSA-N 0 3 275.396 2.378 10 0 CEAEHN CCc1oc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1C ZINC000123048094 187068041 /nfs/dbraw/zinc/06/80/41/187068041.db2.gz ZGVXPZSFHMFXQV-QWHCGFSZSA-N 0 3 276.380 2.459 10 0 CEAEHN C[C@H](CN[C@@H]1CCCOc2ccccc21)N1CCOCC1 ZINC000123429966 187091886 /nfs/dbraw/zinc/09/18/86/187091886.db2.gz XLBUCKZGZPFKNA-GDBMZVCRSA-N 0 3 290.407 2.211 10 0 CEAEHN CCC[C@@H](C(=O)N1CCS[C@@H](CC)C1)N(C)C ZINC000123621983 187101332 /nfs/dbraw/zinc/10/13/32/187101332.db2.gz BQZQFSJQZZPWLH-RYUDHWBXSA-N 0 3 258.431 2.071 10 0 CEAEHN CC[C@](C)(O)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000123669474 187103940 /nfs/dbraw/zinc/10/39/40/187103940.db2.gz IDPLBAZAVFHRCB-INIZCTEOSA-N 0 3 280.387 2.104 10 0 CEAEHN C[C@H](COCc1ccccc1)NCc1ccc(=O)[nH]c1 ZINC000631083550 351954861 /nfs/dbraw/zinc/95/48/61/351954861.db2.gz IYMAMNAVCFPDCT-CYBMUJFWSA-N 0 3 272.348 2.482 10 0 CEAEHN C[C@H]1CN(c2cccc(Br)c2)CCN1 ZINC000071576405 363110417 /nfs/dbraw/zinc/11/04/17/363110417.db2.gz WYJHLGRREDUOSD-VIFPVBQESA-N 0 3 255.159 2.247 10 0 CEAEHN N[C@H](CO)c1cc(C(F)(F)F)ccc1Br ZINC000072199640 363121126 /nfs/dbraw/zinc/12/11/26/363121126.db2.gz QLKALAKJZYWCAZ-MRVPVSSYSA-N 0 3 284.075 2.460 10 0 CEAEHN Cc1c(C(=O)CCN(C)C)cnn1-c1ccccc1 ZINC000072416276 363132651 /nfs/dbraw/zinc/13/26/51/363132651.db2.gz ZSWHXLVLIIFAJE-UHFFFAOYSA-N 0 3 257.337 2.315 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000154179507 188127822 /nfs/dbraw/zinc/12/78/22/188127822.db2.gz SJCFMKBZLVQBTP-CLWVCHIJSA-N 0 3 287.407 2.357 10 0 CEAEHN CSc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)o1 ZINC000155371125 188201659 /nfs/dbraw/zinc/20/16/59/188201659.db2.gz JRXCQFURWSMNHQ-QWRGUYRKSA-N 0 3 282.409 2.460 10 0 CEAEHN COc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)ccc1C ZINC000155746507 188225153 /nfs/dbraw/zinc/22/51/53/188225153.db2.gz QBZMHKOZSCVYJZ-DZGCQCFKSA-N 0 3 290.407 2.462 10 0 CEAEHN C[C@@H](N)C(=O)NCCc1cccc(OCc2ccccc2)c1 ZINC000158132932 188359338 /nfs/dbraw/zinc/35/93/38/188359338.db2.gz KRFISTOZNRYVNK-CQSZACIVSA-N 0 3 298.386 2.272 10 0 CEAEHN Fc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2ncnn2C1 ZINC000183217672 282995769 /nfs/dbraw/zinc/99/57/69/282995769.db2.gz IBASJMZUSBEKRK-UKRRQHHQSA-N 0 3 286.354 2.399 10 0 CEAEHN CCc1ncsc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000133211090 366204716 /nfs/dbraw/zinc/20/47/16/366204716.db2.gz XSQOJLALGVHZPG-QWRGUYRKSA-N 0 3 279.409 2.014 10 0 CEAEHN CCc1ncsc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000133211310 366205742 /nfs/dbraw/zinc/20/57/42/366205742.db2.gz XSQOJLALGVHZPG-WDEREUQCSA-N 0 3 279.409 2.014 10 0 CEAEHN Cn1nccc1C1CCN(CCc2cccnc2)CC1 ZINC000172158892 188784617 /nfs/dbraw/zinc/78/46/17/188784617.db2.gz PEUACVWMAHKPDV-UHFFFAOYSA-N 0 3 270.380 2.237 10 0 CEAEHN Cc1nc(C2=C[C@H](N)CN(C(=O)OC(C)(C)C)C2)cs1 ZINC000675077558 540118645 /nfs/dbraw/zinc/11/86/45/540118645.db2.gz GBYNASFPTWSDPN-NSHDSACASA-N 0 3 295.408 2.413 10 0 CEAEHN CCCN[S@@](=O)(=NC(C)C)c1ccc(N)cc1 ZINC000675076044 540117517 /nfs/dbraw/zinc/11/75/17/540117517.db2.gz SNQXHCALSWCFPR-QGZVFWFLSA-N 0 3 255.387 2.419 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1sccc1OC ZINC000174995351 188927583 /nfs/dbraw/zinc/92/75/83/188927583.db2.gz DSEGEHKKDOJSSF-NWDGAFQWSA-N 0 3 294.420 2.456 10 0 CEAEHN NC1(c2cscc2Br)CSC1 ZINC000575548287 366294889 /nfs/dbraw/zinc/29/48/89/366294889.db2.gz CRBJGCGSHFOUMM-UHFFFAOYSA-N 0 3 250.186 2.411 10 0 CEAEHN C[C@H]1C[C@](N)(c2cscc2Br)CO1 ZINC000575566320 366295891 /nfs/dbraw/zinc/29/58/91/366295891.db2.gz UBRMBZIPDINDCE-IMTBSYHQSA-N 0 3 262.172 2.473 10 0 CEAEHN CCOc1ccccc1OCCN1CC[C@@H](CCO)C1 ZINC000075767694 363488046 /nfs/dbraw/zinc/48/80/46/363488046.db2.gz IFLRLDPTQFMVFS-AWEZNQCLSA-N 0 3 279.380 2.168 10 0 CEAEHN C[C@H]1C[C@H]1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000075959446 363502757 /nfs/dbraw/zinc/50/27/57/363502757.db2.gz DFYWSGFGEVNSFB-XJKSGUPXSA-N 0 3 287.407 2.359 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)C1CCOCC1 ZINC000134816691 366363076 /nfs/dbraw/zinc/36/30/76/366363076.db2.gz COANYTGBUUCECG-UKRRQHHQSA-N 0 3 299.459 2.077 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCn1cc(Cl)cn1 ZINC000336322434 213166981 /nfs/dbraw/zinc/16/69/81/213166981.db2.gz ZRGAQLMXFBHGSK-GXTWGEPZSA-N 0 3 282.819 2.095 10 0 CEAEHN O=C1NCCC[C@H]1N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816431 538807646 /nfs/dbraw/zinc/80/76/46/538807646.db2.gz ZXBNUAPUFBWHOT-HUUCEWRRSA-N 0 3 283.375 2.414 10 0 CEAEHN C[C@H]1C[C@H](NC(=O)N2CC[C@@H](N(C)C)C2)C[C@@H](C)C1 ZINC000246776284 291137525 /nfs/dbraw/zinc/13/75/25/291137525.db2.gz BUKCLRAFRIXQBO-ZOBORPQBSA-N 0 3 267.417 2.157 10 0 CEAEHN COc1c(CNCCCC(F)(F)F)c(C)nn1C ZINC000135381453 366433467 /nfs/dbraw/zinc/43/34/67/366433467.db2.gz CBHULCVZFFCQNF-UHFFFAOYSA-N 0 3 265.279 2.169 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@@H](C)C1CC1 ZINC000079495348 363608987 /nfs/dbraw/zinc/60/89/87/363608987.db2.gz XZLRUEJPSYOVML-GXTWGEPZSA-N 0 3 269.433 2.403 10 0 CEAEHN CCCS(=O)(=O)[N-]c1ccccc1[C@H](C)[NH2+]C ZINC000035645003 283455158 /nfs/dbraw/zinc/45/51/58/283455158.db2.gz NJUSVIUNIXKBPK-JTQLQIEISA-N 0 3 256.371 2.119 10 0 CEAEHN CN1CCN([C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000685961517 540662802 /nfs/dbraw/zinc/66/28/02/540662802.db2.gz SIPIXKVIJVFEBX-MRXNPFEDSA-N 0 3 297.443 2.023 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccccn1 ZINC000177024935 189022059 /nfs/dbraw/zinc/02/20/59/189022059.db2.gz RJFNLAXBNMRNCI-LBPRGKRZSA-N 0 3 262.357 2.030 10 0 CEAEHN CCC[C@H](C)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000673849752 540700312 /nfs/dbraw/zinc/70/03/12/540700312.db2.gz XLRSIKPPFCSGAT-QWHCGFSZSA-N 0 3 255.406 2.301 10 0 CEAEHN Cc1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000177257434 189040260 /nfs/dbraw/zinc/04/02/60/189040260.db2.gz QSDVWPOONQCNSA-NVXWUHKLSA-N 0 3 274.408 2.148 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cccc(F)c1 ZINC000177361426 189045786 /nfs/dbraw/zinc/04/57/86/189045786.db2.gz GIWANYZZCMQJNX-OAHLLOKOSA-N 0 3 293.386 2.451 10 0 CEAEHN Cc1cnc(CN2CCC[C@H]2Cn2ccnc2C)o1 ZINC000178288396 189102938 /nfs/dbraw/zinc/10/29/38/189102938.db2.gz MKKCMMDBMARJCV-ZDUSSCGKSA-N 0 3 260.341 2.153 10 0 CEAEHN CC(C)Cc1ccc([C@H](C)N[C@@H]2CCNC2=O)cc1 ZINC000179059131 189165864 /nfs/dbraw/zinc/16/58/64/189165864.db2.gz ASUMBCJATNPVLJ-SWLSCSKDSA-N 0 3 260.381 2.424 10 0 CEAEHN CCc1nc(C)c([C@@H](C)N[C@@H]2CCc3ncnn3C2)s1 ZINC000180580793 189263736 /nfs/dbraw/zinc/26/37/36/189263736.db2.gz XGSUELXLKMNYFD-MWLCHTKSSA-N 0 3 291.424 2.271 10 0 CEAEHN CCOc1ccc([C@H](C)N[C@H]2CCc3ncnn3C2)cc1 ZINC000180591225 189263936 /nfs/dbraw/zinc/26/39/36/189263936.db2.gz LRJGTYRYTANOPT-JSGCOSHPSA-N 0 3 286.379 2.342 10 0 CEAEHN COc1ccc([C@H](C)N[C@@H]2CCc3ncnn3C2)c(F)c1 ZINC000180605307 189265168 /nfs/dbraw/zinc/26/51/68/189265168.db2.gz RFVLNEDWJPVOOH-WDEREUQCSA-N 0 3 290.342 2.091 10 0 CEAEHN CCC(CC)n1nc(C(=O)N2CC[C@H](N(C)C)C2)cc1C ZINC000180504986 189259285 /nfs/dbraw/zinc/25/92/85/189259285.db2.gz LDIKKYFFQRGALJ-AWEZNQCLSA-N 0 3 292.427 2.329 10 0 CEAEHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2CCC(=O)[C@]3(C)O5 ZINC000003875958 361291818 /nfs/dbraw/zinc/29/18/18/361291818.db2.gz NPZXCTIHHUUEEJ-CMKMFDCUSA-N 0 3 299.370 2.020 10 0 in-man CEAEHN CN(C)[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC000082287937 363759932 /nfs/dbraw/zinc/75/99/32/363759932.db2.gz CZTRBKNZNQYVSC-AWEZNQCLSA-N 0 3 276.355 2.020 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000082287115 363760094 /nfs/dbraw/zinc/76/00/94/363760094.db2.gz YNJGISRDUISTEA-JTQLQIEISA-N 0 3 270.735 2.255 10 0 CEAEHN CSc1ccccc1CC(=O)N1CC[C@H](N(C)C)C1 ZINC000082288534 363761084 /nfs/dbraw/zinc/76/10/84/363761084.db2.gz KSKHDLZZVPFIFZ-ZDUSSCGKSA-N 0 3 278.421 2.114 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccnc(Cl)c1 ZINC000083550443 363780102 /nfs/dbraw/zinc/78/01/02/363780102.db2.gz GPPOUABGBNWIOA-CMPLNLGQSA-N 0 3 279.771 2.044 10 0 CEAEHN C[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)N(C)Cc1ccccc1 ZINC000153954458 366745756 /nfs/dbraw/zinc/74/57/56/366745756.db2.gz HYWRTKJLCDOPMU-FMKPAKJESA-N 0 3 290.407 2.191 10 0 CEAEHN Cc1cc(C)nc(NCCN(C)Cc2ccccc2)n1 ZINC000340052884 366756928 /nfs/dbraw/zinc/75/69/28/366756928.db2.gz HBRYUIXZNPKWFO-UHFFFAOYSA-N 0 3 270.380 2.059 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H](C)c1cccc(F)c1F ZINC000182921277 189339502 /nfs/dbraw/zinc/33/95/02/189339502.db2.gz TXTPJFRGTPMIFQ-LDYMZIIASA-N 0 3 256.296 2.269 10 0 CEAEHN O[C@H]1CCC[C@H]1CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000089161199 363941390 /nfs/dbraw/zinc/94/13/90/363941390.db2.gz AKKQPMNFKBYGEI-AAEUAGOBSA-N 0 3 297.782 2.362 10 0 CEAEHN COc1c(CN2CCC[C@@H](C)CC2)c(C)nn1C ZINC000092586263 364084222 /nfs/dbraw/zinc/08/42/22/364084222.db2.gz WZGUWQPWHVELLL-LLVKDONJSA-N 0 3 251.374 2.359 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C)c(O)c1 ZINC000092632799 364092094 /nfs/dbraw/zinc/09/20/94/364092094.db2.gz ZLMYVIBKTMNVGA-AWEZNQCLSA-N 0 3 276.380 2.257 10 0 CEAEHN COc1c(CN(C)C(C2CC2)C2CC2)c(C)nn1C ZINC000092704064 364098699 /nfs/dbraw/zinc/09/86/99/364098699.db2.gz YBHJEHBAIPMYJT-UHFFFAOYSA-N 0 3 263.385 2.358 10 0 CEAEHN O=[S@](c1nc2ccccc2s1)[C@H]1CCCNC1 ZINC000095073404 364332886 /nfs/dbraw/zinc/33/28/86/364332886.db2.gz HXWQBTKEXFOXKE-HUTHGQBESA-N 0 3 266.391 2.156 10 0 CEAEHN CC(C)CCO[C@H](C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000113222684 364877242 /nfs/dbraw/zinc/87/72/42/364877242.db2.gz GEMARPWYVSFXTA-RBSFLKMASA-N 0 3 282.428 2.133 10 0 CEAEHN COC[C@H]1CCCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000113595852 364907101 /nfs/dbraw/zinc/90/71/01/364907101.db2.gz MABHSQOHCVWSBR-LSDHHAIUSA-N 0 3 299.459 2.031 10 0 CEAEHN Cn1cc([C@H]2CCN(CCOc3ccccc3F)C2)cn1 ZINC000116320398 365051415 /nfs/dbraw/zinc/05/14/15/365051415.db2.gz JDHZIACOMXXDPZ-ZDUSSCGKSA-N 0 3 289.354 2.428 10 0 CEAEHN COc1cccc(CN2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116407923 365054391 /nfs/dbraw/zinc/05/43/91/365054391.db2.gz FALKYRSHQWVSSK-CQSZACIVSA-N 0 3 271.364 2.418 10 0 CEAEHN C[C@H](CN1CCO[C@H](CN(C)C)C1)c1ccccc1 ZINC000116878953 365078004 /nfs/dbraw/zinc/07/80/04/365078004.db2.gz UKYCYRTUDCTWPL-GDBMZVCRSA-N 0 3 262.397 2.053 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2cccs2)O1 ZINC000120387551 365417165 /nfs/dbraw/zinc/41/71/65/365417165.db2.gz HSGHEKCPMIYHTA-TZMCWYRMSA-N 0 3 296.436 2.206 10 0 CEAEHN Cc1cc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)ccn1 ZINC000120217244 365390508 /nfs/dbraw/zinc/39/05/08/365390508.db2.gz LEBZVWGDEZKOBP-FZMZJTMJSA-N 0 3 276.384 2.240 10 0 CEAEHN Cc1cc(C)n(C[C@@H]2CN(C3CCCC3)CCO2)n1 ZINC000120140307 365378659 /nfs/dbraw/zinc/37/86/59/365378659.db2.gz KANBSXRRWWTVPI-HNNXBMFYSA-N 0 3 263.385 2.143 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCO[C@H](C(CC)CC)C1 ZINC000183086325 283889152 /nfs/dbraw/zinc/88/91/52/283889152.db2.gz CCUWBIYRVNEVSU-IHRRRGAJSA-N 0 3 270.417 2.214 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@@H](O)COC(C)C)c1 ZINC000160241117 366985262 /nfs/dbraw/zinc/98/52/62/366985262.db2.gz DWLKHTUCKVATJL-DZGCQCFKSA-N 0 3 251.370 2.432 10 0 CEAEHN CCN(CCNCc1cnn(C)c1C)C(=O)OC(C)(C)C ZINC000161778855 367111884 /nfs/dbraw/zinc/11/18/84/367111884.db2.gz HFFFEXMLYGSRBP-UHFFFAOYSA-N 0 3 296.415 2.075 10 0 CEAEHN CCC[C@@H](C(=O)NCCCNc1ccccc1)N(C)C ZINC000162077029 367135704 /nfs/dbraw/zinc/13/57/04/367135704.db2.gz NTWIUKPFYLNBNQ-HNNXBMFYSA-N 0 3 277.412 2.335 10 0 CEAEHN Cc1ccc(C[C@@H](C)NC(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000162121812 367139161 /nfs/dbraw/zinc/13/91/61/367139161.db2.gz WZTHCUGLTQOHNZ-YPMHNXCESA-N 0 3 295.452 2.333 10 0 CEAEHN CCC[C@@H](C(=O)Nc1cccc(CN(C)C)c1)N(C)C ZINC000161531015 367094109 /nfs/dbraw/zinc/09/41/09/367094109.db2.gz JBRRDAKKLOYXPR-HNNXBMFYSA-N 0 3 277.412 2.417 10 0 CEAEHN COc1cc([C@H]2C[C@H](CO)CN(C)C2)c(OC)cc1C ZINC000169318769 367367786 /nfs/dbraw/zinc/36/77/86/367367786.db2.gz VJIMYMUYEJOURM-STQMWFEESA-N 0 3 279.380 2.040 10 0 CEAEHN COc1cc(C)ccc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000171080620 367473715 /nfs/dbraw/zinc/47/37/15/367473715.db2.gz DPOILRNTHXOIFB-LBPRGKRZSA-N 0 3 277.368 2.171 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC[C@@H](O)C(F)F)c1C ZINC000631697414 367489298 /nfs/dbraw/zinc/48/92/98/367489298.db2.gz LXVGLYYIEKONSC-LDYMZIIASA-N 0 3 275.343 2.187 10 0 CEAEHN Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170857623 367432451 /nfs/dbraw/zinc/43/24/51/367432451.db2.gz PHYMQNKHVIZROM-GFCCVEGCSA-N 0 3 271.364 2.252 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000170857078 367432478 /nfs/dbraw/zinc/43/24/78/367432478.db2.gz XQXNMNIPLZFZBG-CQSZACIVSA-N 0 3 280.799 2.435 10 0 CEAEHN Cc1ccccc1[C@@H](C)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170861213 367432721 /nfs/dbraw/zinc/43/27/21/367432721.db2.gz HGTUINFQQRQLIL-KGLIPLIRSA-N 0 3 275.396 2.402 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccnc3ccccc32)C1 ZINC000170859340 367432734 /nfs/dbraw/zinc/43/27/34/367432734.db2.gz VFQOWOLAYIUSGT-GFCCVEGCSA-N 0 3 269.348 2.011 10 0 CEAEHN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170860352 367432923 /nfs/dbraw/zinc/43/29/23/367432923.db2.gz LHEGXTJUDOOURW-WCQYABFASA-N 0 3 296.798 2.270 10 0 CEAEHN COc1ccc(Cl)cc1CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170858483 367433109 /nfs/dbraw/zinc/43/31/09/367433109.db2.gz KVHTWDBVUBFBKS-CYBMUJFWSA-N 0 3 296.798 2.054 10 0 CEAEHN Cc1cccc(OCCCC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000170862065 367434841 /nfs/dbraw/zinc/43/48/41/367434841.db2.gz CCDPYVFEACSGLY-HNNXBMFYSA-N 0 3 290.407 2.317 10 0 CEAEHN Cc1ccccc1NC(=O)[C@@H](C)N1CCN2CCC[C@@H]2C1 ZINC000171640625 367583468 /nfs/dbraw/zinc/58/34/68/367583468.db2.gz RENFSWSXVOEWIU-HUUCEWRRSA-N 0 3 287.407 2.102 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(CCc2cccnc2)C1 ZINC000172159285 367686152 /nfs/dbraw/zinc/68/61/52/367686152.db2.gz ZUTGCFCOSBVBJN-HNNXBMFYSA-N 0 3 285.395 2.115 10 0 CEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000245857913 370879989 /nfs/dbraw/zinc/87/99/89/370879989.db2.gz NYOAIXMZKAQFFL-IJEWVQPXSA-N 0 3 290.407 2.191 10 0 CEAEHN CS[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000172539023 367773327 /nfs/dbraw/zinc/77/33/27/367773327.db2.gz BMWCXTYUEFDKNG-KGLIPLIRSA-N 0 3 278.421 2.253 10 0 CEAEHN CCSCCN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000172771268 367815715 /nfs/dbraw/zinc/81/57/15/367815715.db2.gz YDDCNESGIRHGMU-GFCCVEGCSA-N 0 3 269.414 2.386 10 0 CEAEHN Cc1cccc(OC[C@H](O)CN2CCS[C@@H](C)C2)c1 ZINC000245812621 370875878 /nfs/dbraw/zinc/87/58/78/370875878.db2.gz HPWMVPAJIXZDRI-UONOGXRCSA-N 0 3 281.421 2.172 10 0 CEAEHN C[C@H](c1nc(C2CC2)no1)N1CCN2CCCC[C@@H]2C1 ZINC000172803255 367821485 /nfs/dbraw/zinc/82/14/85/367821485.db2.gz LBWWBGNYZQMMSP-DGCLKSJQSA-N 0 3 276.384 2.178 10 0 CEAEHN Cc1cccc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000173882540 367953979 /nfs/dbraw/zinc/95/39/79/367953979.db2.gz HQPRMTHEZNQLRX-DZGCQCFKSA-N 0 3 296.436 2.002 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1scnc1C ZINC000174986339 368086359 /nfs/dbraw/zinc/08/63/59/368086359.db2.gz IFTUPMZZJHMZJJ-NWDGAFQWSA-N 0 3 279.409 2.150 10 0 CEAEHN CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000176454950 368241881 /nfs/dbraw/zinc/24/18/81/368241881.db2.gz VMPKDQXGPWGFQS-ZBFHGGJFSA-N 0 3 290.407 2.315 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1nccs1 ZINC000176252143 368216884 /nfs/dbraw/zinc/21/68/84/368216884.db2.gz SMXASJQJVYPPMY-SNVBAGLBSA-N 0 3 268.386 2.091 10 0 CEAEHN CC[C@@H](CSC)NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000181457925 368457254 /nfs/dbraw/zinc/45/72/54/368457254.db2.gz AJCPUBQKXDBVPF-STQMWFEESA-N 0 3 287.473 2.254 10 0 CEAEHN CCc1cnccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000182568665 368568603 /nfs/dbraw/zinc/56/86/03/368568603.db2.gz FLVDLSBGPKELNJ-WFASDCNBSA-N 0 3 275.396 2.103 10 0 CEAEHN C[C@@H]1CCC[C@H]1CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000184712834 368714124 /nfs/dbraw/zinc/71/41/24/368714124.db2.gz IWORGTMDVZIBRR-HZSPNIEDSA-N 0 3 250.386 2.119 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(CC[C@H]2CCOC2=O)C1 ZINC000246311493 370945136 /nfs/dbraw/zinc/94/51/36/370945136.db2.gz BVPZUJRGNDWSCA-UONOGXRCSA-N 0 3 291.395 2.036 10 0 CEAEHN CCSc1cccc(CNC[C@@H]2CN(C)CCO2)c1 ZINC000185518828 368819218 /nfs/dbraw/zinc/81/92/18/368819218.db2.gz GSJHJTKCLNREIW-CQSZACIVSA-N 0 3 280.437 2.219 10 0 CEAEHN COc1cc([C@H](C)N[C@@H]2CCC(=O)N[C@@H]2C)ccc1F ZINC000348332584 369007766 /nfs/dbraw/zinc/00/77/66/369007766.db2.gz BBTVJEGBIZPRBK-OPQQBVKSSA-N 0 3 280.343 2.152 10 0 CEAEHN CCCc1cccc(CN[C@H]2CCc3ncnn3C2)c1 ZINC000187218796 369123155 /nfs/dbraw/zinc/12/31/55/369123155.db2.gz CGYMMWOTOGICOK-HNNXBMFYSA-N 0 3 270.380 2.335 10 0 CEAEHN CN(c1cccnn1)C1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000193894415 369990641 /nfs/dbraw/zinc/99/06/41/369990641.db2.gz VPQKBWPLZDMHKP-HNNXBMFYSA-N 0 3 288.395 2.070 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCc3ccc(F)cc32)C1 ZINC000195154381 370108977 /nfs/dbraw/zinc/10/89/77/370108977.db2.gz UKKJOQZGXGOQJK-AWEZNQCLSA-N 0 3 291.370 2.382 10 0 CEAEHN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cn[nH]c1 ZINC000224936505 370283790 /nfs/dbraw/zinc/28/37/90/370283790.db2.gz DLVQUINFSLXRMA-ZYHUDNBSSA-N 0 3 280.372 2.070 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 ZINC000246761043 371006003 /nfs/dbraw/zinc/00/60/03/371006003.db2.gz QMHQYXFALWYWFN-IEZWGBDMSA-N 0 3 298.430 2.491 10 0 CEAEHN CC(=O)c1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000246973498 371039142 /nfs/dbraw/zinc/03/91/42/371039142.db2.gz GCWLPEUSCCXNBU-MLGOLLRUSA-N 0 3 288.391 2.348 10 0 CEAEHN Cc1occc1CN(C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247483917 371114107 /nfs/dbraw/zinc/11/41/07/371114107.db2.gz WIQXFFXOFNXNAQ-DOMZBBRYSA-N 0 3 293.411 2.458 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)N2CCN3CCC[C@H]3C2)o1 ZINC000247598504 371129018 /nfs/dbraw/zinc/12/90/18/371129018.db2.gz SYKNMALGKCVTNC-OLZOCXBDSA-N 0 3 277.368 2.139 10 0 CEAEHN CC(C)CC[C@@H](C)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247599439 371129366 /nfs/dbraw/zinc/12/93/66/371129366.db2.gz TYTQFKFARMOEEP-KGLIPLIRSA-N 0 3 267.417 2.301 10 0 CEAEHN CN(C)C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000248341068 371175336 /nfs/dbraw/zinc/17/53/36/371175336.db2.gz IUTUQVPCFWNIOK-ZBFHGGJFSA-N 0 3 278.371 2.075 10 0 CEAEHN c1ccc(Cc2nccc(N3CCN4CCC[C@H]4C3)n2)cc1 ZINC000248617337 371223181 /nfs/dbraw/zinc/22/31/81/371223181.db2.gz AUTGKHJBNMUXLM-INIZCTEOSA-N 0 3 294.402 2.352 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248764375 371243041 /nfs/dbraw/zinc/24/30/41/371243041.db2.gz NUOTZWDWFOSOJZ-MGPQQGTHSA-N 0 3 269.433 2.451 10 0 CEAEHN C[C@@H]1CCC[C@H]1CC(=O)N1CCN2CCC[C@H]2C1 ZINC000248981205 371279690 /nfs/dbraw/zinc/27/96/90/371279690.db2.gz IWORGTMDVZIBRR-RDBSUJKOSA-N 0 3 250.386 2.119 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)CC(C)(C)CC(C)=O ZINC000249100511 371294659 /nfs/dbraw/zinc/29/46/59/371294659.db2.gz WCRBYOQRDIWDFD-CABCVRRESA-N 0 3 294.439 2.467 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)c1nc2ccccc2n1CC ZINC000236905513 189851043 /nfs/dbraw/zinc/85/10/43/189851043.db2.gz ZQUBFOGVUJFVGQ-RYUDHWBXSA-N 0 3 288.395 2.361 10 0 CEAEHN CO[C@@H]1CN(C(=O)N[C@H](CC(C)C)CN(C)C)CC[C@H]1C ZINC000251679514 371412651 /nfs/dbraw/zinc/41/26/51/371412651.db2.gz IXEMCVDXHJPGAD-RBSFLKMASA-N 0 3 299.459 2.029 10 0 CEAEHN CCC[C@@H](N)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000236940341 189853760 /nfs/dbraw/zinc/85/37/60/189853760.db2.gz SHZXHVQVGJOKFL-CYBMUJFWSA-N 0 3 282.334 2.240 10 0 CEAEHN Nc1ncc(CN2CC[C@H](CNc3ccccn3)C2)s1 ZINC000261894744 371764670 /nfs/dbraw/zinc/76/46/70/371764670.db2.gz UQYQSEZKUALMBP-LLVKDONJSA-N 0 3 289.408 2.054 10 0 CEAEHN CN(Cc1cccc2ccccc21)C(=O)C1(N)CCOCC1 ZINC000261945982 371779734 /nfs/dbraw/zinc/77/97/34/371779734.db2.gz YGDUCBVYNIUFDL-UHFFFAOYSA-N 0 3 298.386 2.306 10 0 CEAEHN CCCC[C@H](CC)CNC(=O)[C@H](N)C1CCOCC1 ZINC000261951787 371782195 /nfs/dbraw/zinc/78/21/95/371782195.db2.gz KDZHEQLQIHURHM-GXTWGEPZSA-N 0 3 270.417 2.073 10 0 CEAEHN C[C@H](CN1CCN(C)CC1)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000262317730 371851306 /nfs/dbraw/zinc/85/13/06/371851306.db2.gz DTMNUNLPDWFBFX-FMKPAKJESA-N 0 3 291.439 2.129 10 0 CEAEHN CCCOc1ccc([C@H](C)NCCn2cncn2)cc1 ZINC000268787511 372222745 /nfs/dbraw/zinc/22/27/45/372222745.db2.gz ATQBHBKISKSYBP-ZDUSSCGKSA-N 0 3 274.368 2.418 10 0 CEAEHN COC[C@]1(C(=O)Nc2cccc(SC)c2)CCCN1 ZINC000643614515 373220338 /nfs/dbraw/zinc/22/03/38/373220338.db2.gz APBMWNIQHIUPAP-AWEZNQCLSA-N 0 3 280.393 2.116 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2NCC2(C)C)c(C)c1 ZINC000644017840 373342978 /nfs/dbraw/zinc/34/29/78/373342978.db2.gz XTOKRNRJGJCGJQ-OCCSQVGLSA-N 0 3 260.381 2.479 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@H]2NCC2(C)C)c(C)c1 ZINC000644017841 373343115 /nfs/dbraw/zinc/34/31/15/373343115.db2.gz XTOKRNRJGJCGJQ-TZMCWYRMSA-N 0 3 260.381 2.479 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cnc(C)o1 ZINC000398062083 375346724 /nfs/dbraw/zinc/34/67/24/375346724.db2.gz KLBQPGMBURIVMK-ZIAGYGMSSA-N 0 3 263.385 2.432 10 0 CEAEHN COc1cccc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000282180743 375422100 /nfs/dbraw/zinc/42/21/00/375422100.db2.gz JZAQFQXAKQXKMD-CLLJXQQHSA-N 0 3 264.369 2.383 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(Br)c1 ZINC000282247105 375439379 /nfs/dbraw/zinc/43/93/79/375439379.db2.gz GKDAEHFITUJIAK-CABZTGNLSA-N 0 3 297.196 2.206 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C)c1cc(F)ccc1F ZINC000282417535 375479990 /nfs/dbraw/zinc/47/99/90/375479990.db2.gz QPEYMUYURAILLW-IGJMFERPSA-N 0 3 268.307 2.283 10 0 CEAEHN C[C@H](NCc1nc2ccc(O)cc2o1)[C@@H]1CCCOC1 ZINC000408522225 375509276 /nfs/dbraw/zinc/50/92/76/375509276.db2.gz FONOKSPUNVJGIU-WDEREUQCSA-N 0 3 276.336 2.438 10 0 CEAEHN O=C(c1ccc2c(c1)CNC2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000156711731 296233754 /nfs/dbraw/zinc/23/37/54/296233754.db2.gz FEXNTYZQFGNJBD-HOTGVXAUSA-N 0 3 286.375 2.073 10 0 CEAEHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12NCCS2 ZINC000306378974 376546530 /nfs/dbraw/zinc/54/65/30/376546530.db2.gz PGJSHVYILIWZPA-ZWNOBZJWSA-N 0 3 272.414 2.296 10 0 CEAEHN CCN1CCO[C@H](CNCc2cccc3cnccc32)C1 ZINC000167387349 542214837 /nfs/dbraw/zinc/21/48/37/542214837.db2.gz OTXVFNWXLFLYMP-MRXNPFEDSA-N 0 3 285.391 2.045 10 0 CEAEHN O=C(c1ccc2c(c1)CNC2)N1CCOc2ccccc21 ZINC000156731896 284677193 /nfs/dbraw/zinc/67/71/93/284677193.db2.gz QIORVLMBORZYTA-UHFFFAOYSA-N 0 3 280.327 2.329 10 0 CEAEHN CCc1cnc(CN2C[C@H]3CCCN3C[C@H]2C)s1 ZINC000300419121 379171089 /nfs/dbraw/zinc/17/10/89/379171089.db2.gz PHMOEMHLSKNMJA-VXGBXAGGSA-N 0 3 265.426 2.374 10 0 CEAEHN CCN(C)c1ccc(CN2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000191490831 542342447 /nfs/dbraw/zinc/34/24/47/542342447.db2.gz POMQYYPDZYOEBI-MRXNPFEDSA-N 0 3 299.422 2.399 10 0 CEAEHN Cc1c(CNC2CC2)cccc1S(=O)(=O)N(C)C1CC1 ZINC000088941248 184614831 /nfs/dbraw/zinc/61/48/31/184614831.db2.gz PJIYFHXQWJNAIQ-UHFFFAOYSA-N 0 3 294.420 2.030 10 0 CEAEHN CCc1ccc(CN)cc1S(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC000088962895 184615625 /nfs/dbraw/zinc/61/56/25/184615625.db2.gz WUJYTGWVCHJISM-NSHDSACASA-N 0 3 296.436 2.127 10 0 CEAEHN CCc1nnc(CN2C[C@H]3CCCN3C[C@@H]2CC)s1 ZINC000392153272 542375138 /nfs/dbraw/zinc/37/51/38/542375138.db2.gz ZREHTNMDDYJUGH-NWDGAFQWSA-N 0 3 280.441 2.159 10 0 CEAEHN CN[C@@H](CN1C(=O)CC(C)CC1=O)c1ccc(C)cc1 ZINC000093356574 184666897 /nfs/dbraw/zinc/66/68/97/184666897.db2.gz RGGURNGVQOHSBE-AWEZNQCLSA-N 0 3 274.364 2.041 10 0 CEAEHN CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(CC)C2)C1 ZINC000194176336 270293802 /nfs/dbraw/zinc/29/38/02/270293802.db2.gz QRDIOXDUXNEWDP-ZIAGYGMSSA-N 0 3 267.417 2.302 10 0 CEAEHN O=C(Nc1cc(F)ccc1F)[C@@H]1CCCCCN1 ZINC000080993229 177749491 /nfs/dbraw/zinc/74/94/91/177749491.db2.gz JLEOSWFMFYSPRQ-NSHDSACASA-N 0 3 254.280 2.436 10 0 CEAEHN Cc1c(-c2ncc3c(n2)CC(C)(C)C[C@H]3N)cnn1C ZINC000093652106 184702759 /nfs/dbraw/zinc/70/27/59/184702759.db2.gz PAYRNLXSVLBKEC-GFCCVEGCSA-N 0 3 271.368 2.158 10 0 CEAEHN O[C@@H](CN1CCN2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000094464021 184805254 /nfs/dbraw/zinc/80/52/54/184805254.db2.gz OYICYUWTXINQBW-CABCVRRESA-N 0 3 286.375 2.246 10 0 CEAEHN CCN[C@H](c1ccncn1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000094403260 184793398 /nfs/dbraw/zinc/79/33/98/184793398.db2.gz HBFUQCIPMRKOOL-HIFRSBDPSA-N 0 3 291.395 2.103 10 0 CEAEHN CCCN[C@@H](C)c1cc(F)ccc1OC[C@H](C)C(N)=O ZINC000094620345 184827598 /nfs/dbraw/zinc/82/75/98/184827598.db2.gz VBBZMYDBUDYPMY-QWRGUYRKSA-N 0 3 282.359 2.387 10 0 CEAEHN CC(C)OC[C@H](O)COc1ccc(F)cc1[C@@H](C)N ZINC000094619943 184827924 /nfs/dbraw/zinc/82/79/24/184827924.db2.gz ZRHUDTSZBIEEAT-PWSUYJOCSA-N 0 3 271.332 2.010 10 0 CEAEHN C[C@@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC000094635223 184830962 /nfs/dbraw/zinc/83/09/62/184830962.db2.gz BQGPCWAKUAOLGZ-UTUOFQBUSA-N 0 3 271.382 2.286 10 0 CEAEHN Cc1ccc(CN)cc1NC(=O)c1cccnc1C ZINC000094645962 184832602 /nfs/dbraw/zinc/83/26/02/184832602.db2.gz NCTGZUXUKVTAST-UHFFFAOYSA-N 0 3 255.321 2.409 10 0 CEAEHN Cc1ccc(O[C@H](C)[C@H](C)O)c(CNCC(C)C)n1 ZINC000094653694 184835409 /nfs/dbraw/zinc/83/54/09/184835409.db2.gz XHXIBQWSSUYORQ-QWHCGFSZSA-N 0 3 266.385 2.284 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246954674 131098977 /nfs/dbraw/zinc/09/89/77/131098977.db2.gz XHAIRCJQPKLOCY-RWMBFGLXSA-N 0 3 296.436 2.290 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246954666 131099000 /nfs/dbraw/zinc/09/90/00/131099000.db2.gz XHAIRCJQPKLOCY-FRRDWIJNSA-N 0 3 296.436 2.290 10 0 CEAEHN Cc1cc(Br)cnc1N1C[C@@H](C)N[C@@H](C)C1 ZINC000086707126 135048623 /nfs/dbraw/zinc/04/86/23/135048623.db2.gz BWESVKOSGRAOEH-AOOOYVTPSA-N 0 3 284.201 2.339 10 0 CEAEHN CCN[C@@H]1CCCN(c2c(F)cc(F)cc2F)C1=O ZINC000088724118 135056429 /nfs/dbraw/zinc/05/64/29/135056429.db2.gz VDSSRLQCKRKWJM-LLVKDONJSA-N 0 3 272.270 2.209 10 0 CEAEHN CC(C)C[C@@](C)(O)CN[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000090267327 135062877 /nfs/dbraw/zinc/06/28/77/135062877.db2.gz SEEFGTZMOFIGQL-RHSMWYFYSA-N 0 3 290.407 2.481 10 0 CEAEHN Cc1ccc2c(c1)CCCN2CC[C@@H]1CNCCO1 ZINC000091313636 135067672 /nfs/dbraw/zinc/06/76/72/135067672.db2.gz HUPBMMUQTQQPAQ-OAHLLOKOSA-N 0 3 260.381 2.126 10 0 CEAEHN CCCNCc1cncc(N2C[C@@H](C)S[C@H](C)C2)n1 ZINC000091421887 135069960 /nfs/dbraw/zinc/06/99/60/135069960.db2.gz AQJDMUQIJYBQSK-VXGBXAGGSA-N 0 3 280.441 2.306 10 0 CEAEHN COc1cc(N2CCN3CCCC[C@@H]3C2)c(N)cc1F ZINC000094439084 135087619 /nfs/dbraw/zinc/08/76/19/135087619.db2.gz BNOXGNGYFNWJKF-LLVKDONJSA-N 0 3 279.359 2.091 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1nc(C)sc1C ZINC000246498847 394516817 /nfs/dbraw/zinc/51/68/17/394516817.db2.gz BAGGJMKKFFTYSD-STQMWFEESA-N 0 3 293.436 2.459 10 0 CEAEHN Cc1cnc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000246151612 394510154 /nfs/dbraw/zinc/51/01/54/394510154.db2.gz CDTGVDCZMCBCNL-KOLCDFICSA-N 0 3 282.413 2.302 10 0 CEAEHN CC(C)N1CCC[C@H](N2CC[C@@]3(O)CCCC[C@@H]3C2)C1=O ZINC000247123009 394527215 /nfs/dbraw/zinc/52/72/15/394527215.db2.gz AMOLIRULAJVDIG-VYDXJSESSA-N 0 3 294.439 2.013 10 0 CEAEHN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H]1CCCN(CC)C1 ZINC000248570754 394543321 /nfs/dbraw/zinc/54/33/21/394543321.db2.gz RZMILKVNZZNSFE-HZSPNIEDSA-N 0 3 267.417 2.301 10 0 CEAEHN CC[N@@H+]1CC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000315635825 394545388 /nfs/dbraw/zinc/54/53/88/394545388.db2.gz VNZOXCGFPSWPIR-NSHDSACASA-N 0 3 299.212 2.339 10 0 CEAEHN CC[N@H+]1CC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000315635825 394545389 /nfs/dbraw/zinc/54/53/89/394545389.db2.gz VNZOXCGFPSWPIR-NSHDSACASA-N 0 3 299.212 2.339 10 0 CEAEHN Cc1ncc(CNCC2CC(O)C2)n1-c1ccccc1 ZINC000092129196 394659441 /nfs/dbraw/zinc/65/94/41/394659441.db2.gz HCBIVDPUUYPSLN-UHFFFAOYSA-N 0 3 271.364 2.041 10 0 CEAEHN Cc1cc(N2CCN(C3CCCC3)CC2)nnc1C ZINC000110101589 394735222 /nfs/dbraw/zinc/73/52/22/394735222.db2.gz KQTSZYVCIIGXAB-UHFFFAOYSA-N 0 3 260.385 2.158 10 0 CEAEHN CCn1nccc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000129357046 394864066 /nfs/dbraw/zinc/86/40/66/394864066.db2.gz REDKWUMSQXWCCY-HIFRSBDPSA-N 0 3 263.385 2.030 10 0 CEAEHN C[C@@H]1CCC[C@@H](CN2CCO[C@H](Cn3cccn3)C2)C1 ZINC000133396465 394951414 /nfs/dbraw/zinc/95/14/14/394951414.db2.gz MGEULEDXIREOHZ-OAGGEKHMSA-N 0 3 277.412 2.410 10 0 CEAEHN CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000161623383 395064230 /nfs/dbraw/zinc/06/42/30/395064230.db2.gz JTEBZRAHEMPOKV-MGPQQGTHSA-N 0 3 276.380 2.006 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccs1 ZINC000175027860 395130909 /nfs/dbraw/zinc/13/09/09/395130909.db2.gz ZJQKPWSVNPGEKM-NWDGAFQWSA-N 0 3 264.394 2.447 10 0 CEAEHN C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1cccnc1 ZINC000181420493 395214458 /nfs/dbraw/zinc/21/44/58/395214458.db2.gz ITAUSKGGBSVNRG-UVBJJODRSA-N 0 3 254.333 2.391 10 0 CEAEHN CC[C@](C)(O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000189222268 395325099 /nfs/dbraw/zinc/32/50/99/395325099.db2.gz MOBOKXHTSSAIQS-JKSUJKDBSA-N 0 3 261.365 2.279 10 0 CEAEHN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccs1 ZINC000192941376 395396466 /nfs/dbraw/zinc/39/64/66/395396466.db2.gz GOEUBMFRPHOEOT-GHMZBOCLSA-N 0 3 297.424 2.269 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)Cc1ccc(O)c(OC)c1 ZINC000195175744 395461704 /nfs/dbraw/zinc/46/17/04/395461704.db2.gz MGKMBIGLCHTUJS-AWEZNQCLSA-N 0 3 297.395 2.010 10 0 CEAEHN CN1CC[C@]2(CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000307134006 400338054 /nfs/dbraw/zinc/33/80/54/400338054.db2.gz NJUXXHHBWQZSJJ-INIZCTEOSA-N 0 3 274.364 2.351 10 0 CEAEHN C[C@H](COCc1ccccc1)NC[C@H](O)C(F)(F)F ZINC000390693238 400540417 /nfs/dbraw/zinc/54/04/17/400540417.db2.gz BCQMRNGZBWMJNQ-PWSUYJOCSA-N 0 3 277.286 2.105 10 0 CEAEHN COc1ccc(Br)c2c1ccnc2CN ZINC000521401911 400602583 /nfs/dbraw/zinc/60/25/83/400602583.db2.gz RFMUJRAQBVWIMP-UHFFFAOYSA-N 0 3 267.126 2.465 10 0 CEAEHN C[C@H]1OCCC[C@H]1C(=O)NCC(C)(C)N1CCCCC1 ZINC000190619610 153139913 /nfs/dbraw/zinc/13/99/13/153139913.db2.gz JCOKVNNENNEYMW-ZIAGYGMSSA-N 0 3 282.428 2.182 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)N(CCN(C)C)C1CCCC1 ZINC000191678871 153186613 /nfs/dbraw/zinc/18/66/13/153186613.db2.gz PCNLCOKMLHYION-ZFWWWQNUSA-N 0 3 282.428 2.134 10 0 CEAEHN Cc1nc(C[C@@H]2CCCN(CCOC(C)(C)C)C2)no1 ZINC000195518350 153293731 /nfs/dbraw/zinc/29/37/31/153293731.db2.gz CYEKCGSXGWBOPL-ZDUSSCGKSA-N 0 3 281.400 2.448 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2ccc(F)cc21 ZINC000226330222 153335240 /nfs/dbraw/zinc/33/52/40/153335240.db2.gz BHAGAVOSTOJMSE-TVQRCGJNSA-N 0 3 250.317 2.088 10 0 CEAEHN OCC[C@@H]1CCN(Cc2ccccc2OC(F)F)C1 ZINC000227566652 153348571 /nfs/dbraw/zinc/34/85/71/153348571.db2.gz XVEUPWNTSGNJKA-NSHDSACASA-N 0 3 271.307 2.492 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000227907266 153353228 /nfs/dbraw/zinc/35/32/28/153353228.db2.gz CNUQWDZMXQNSFZ-NEPJUHHUSA-N 0 3 283.334 2.438 10 0 CEAEHN Cc1cnccc1CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000228726391 153368587 /nfs/dbraw/zinc/36/85/87/153368587.db2.gz RQGJAZUUKMHOBM-GOEBONIOSA-N 0 3 259.397 2.449 10 0 CEAEHN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261875718 153866524 /nfs/dbraw/zinc/86/65/24/153866524.db2.gz UDYVNORPVHTQPB-QLFBSQMISA-N 0 3 282.428 2.071 10 0 CEAEHN CN1CCNC[C@H]1c1noc(CC2CCCCCC2)n1 ZINC000263187032 154030350 /nfs/dbraw/zinc/03/03/50/154030350.db2.gz HLYBUJDXMPMNMU-ZDUSSCGKSA-N 0 3 278.400 2.159 10 0 CEAEHN CN1CCNC[C@H]1c1noc(CCC2CCCCC2)n1 ZINC000263196380 154031849 /nfs/dbraw/zinc/03/18/49/154031849.db2.gz IKXAEQNGYMFPDR-ZDUSSCGKSA-N 0 3 278.400 2.159 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2ccc3c(c2)CCCC3)n1 ZINC000263281909 154047450 /nfs/dbraw/zinc/04/74/50/154047450.db2.gz ULEXHDTWFCNMRY-HNNXBMFYSA-N 0 3 298.390 2.192 10 0 CEAEHN CC1(C)CC[C@@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263454804 154091815 /nfs/dbraw/zinc/09/18/15/154091815.db2.gz AMWARDWNUFFJTN-WLYUNCDWSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1(C)CC[C@@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263454804 154091824 /nfs/dbraw/zinc/09/18/24/154091824.db2.gz AMWARDWNUFFJTN-WLYUNCDWSA-N 0 3 294.439 2.482 10 0 CEAEHN CC1(C)CC[C@@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263454804 154091831 /nfs/dbraw/zinc/09/18/31/154091831.db2.gz AMWARDWNUFFJTN-WLYUNCDWSA-N 0 3 294.439 2.482 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)C2CCCC2)C1 ZINC000263503259 154103762 /nfs/dbraw/zinc/10/37/62/154103762.db2.gz LGXHPWBUGUFQNA-XGNXJENSSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[C@H](C)[C@H](C)[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263532976 154117266 /nfs/dbraw/zinc/11/72/66/154117266.db2.gz XOACYMUASSSICL-XOEAPDPESA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@H](C)[C@H](C)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532976 154117270 /nfs/dbraw/zinc/11/72/70/154117270.db2.gz XOACYMUASSSICL-XOEAPDPESA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@H](C)[C@H](C)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263532976 154117277 /nfs/dbraw/zinc/11/72/77/154117277.db2.gz XOACYMUASSSICL-XOEAPDPESA-N 0 3 282.428 2.338 10 0 CEAEHN COc1ccnc(CNC2(C(C)C)CC2)c1OC ZINC000292878003 286522803 /nfs/dbraw/zinc/52/28/03/286522803.db2.gz BWDHTSBIXWPMDN-UHFFFAOYSA-N 0 3 250.342 2.377 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC2(CCO)CC2)c1C ZINC000157513328 162310693 /nfs/dbraw/zinc/31/06/93/162310693.db2.gz MLWUFJBGBBGCFM-LLVKDONJSA-N 0 3 265.401 2.333 10 0 CEAEHN CCC[C@@H](N)C(=O)NCCCCN(C)c1ccccc1 ZINC000165909256 162346774 /nfs/dbraw/zinc/34/67/74/162346774.db2.gz IRSXYMQAACDQLD-OAHLLOKOSA-N 0 3 277.412 2.147 10 0 CEAEHN COc1cc(C)ccc1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000171891342 165052262 /nfs/dbraw/zinc/05/22/62/165052262.db2.gz FFXKWIPRTWXGLZ-ZDUSSCGKSA-N 0 3 289.379 2.316 10 0 CEAEHN CCc1onc(C)c1C(=O)N(C)C[C@@H]1CCCN1CC ZINC000175543421 165138231 /nfs/dbraw/zinc/13/82/31/165138231.db2.gz XABCMSWLOSNENC-LBPRGKRZSA-N 0 3 279.384 2.102 10 0 CEAEHN COCCOCCN1CCC[C@H](c2nc(C)cs2)C1 ZINC000175615847 165140973 /nfs/dbraw/zinc/14/09/73/165140973.db2.gz WPRVYXGKAWTIID-ZDUSSCGKSA-N 0 3 284.425 2.294 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1cccc(O)c1)c1ccccc1 ZINC000176127652 165155299 /nfs/dbraw/zinc/15/52/99/165155299.db2.gz KMLVWCAYIJOEIX-INIZCTEOSA-N 0 3 284.359 2.425 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)COc1ccc(C)cc1 ZINC000176975187 165181037 /nfs/dbraw/zinc/18/10/37/165181037.db2.gz PSBSECXPNPVYAW-HNNXBMFYSA-N 0 3 290.407 2.317 10 0 CEAEHN C[C@@H]1CC[C@@H](CC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000177741848 165206642 /nfs/dbraw/zinc/20/66/42/165206642.db2.gz FAXYIFKJDOJXJN-MGPQQGTHSA-N 0 3 250.386 2.119 10 0 CEAEHN c1cc(CN2CCN3CCCC[C@@H]3C2)c2c(c1)OCCO2 ZINC000177769824 165207054 /nfs/dbraw/zinc/20/70/54/165207054.db2.gz KDQNDESFYWHXDR-OAHLLOKOSA-N 0 3 288.391 2.128 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000179039237 165267347 /nfs/dbraw/zinc/26/73/47/165267347.db2.gz RAJXPLRAWHZQAK-IINYFYTJSA-N 0 3 261.369 2.357 10 0 CEAEHN CCC[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)C(C)C ZINC000179410375 165277633 /nfs/dbraw/zinc/27/76/33/165277633.db2.gz FTUACKAKEYWLTR-ZIAGYGMSSA-N 0 3 252.402 2.365 10 0 CEAEHN CC[C@H](CSC)N(C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000179596747 165284152 /nfs/dbraw/zinc/28/41/52/165284152.db2.gz VUYNHBVXQHRSHV-CHWSQXEVSA-N 0 3 287.473 2.254 10 0 CEAEHN C[C@H]1CCC[C@H](C(=O)N2CCc3ccccc3C2)N1 ZINC000019471189 170804770 /nfs/dbraw/zinc/80/47/70/170804770.db2.gz JXWQXJJLHLUNMC-SWLSCSKDSA-N 0 3 258.365 2.102 10 0 CEAEHN CC(=O)NCCN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020185097 171048039 /nfs/dbraw/zinc/04/80/39/171048039.db2.gz GOUVZAYPMPCYNH-VIFPVBQESA-N 0 3 272.295 2.075 10 0 CEAEHN NCc1cc(S(=O)(=O)Nc2ccccc2F)ccc1F ZINC000020189259 171055038 /nfs/dbraw/zinc/05/50/38/171055038.db2.gz FGRABGRKGQNLTL-UHFFFAOYSA-N 0 3 298.314 2.224 10 0 CEAEHN CCOC(=O)C[C@@H](N)c1ccccc1OC(F)F ZINC000020577824 171256335 /nfs/dbraw/zinc/25/63/35/171256335.db2.gz ADMSYJJIJTUNTQ-SECBINFHSA-N 0 3 259.252 2.241 10 0 CEAEHN COc1ccc([C@@H](N)[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022564516 171392079 /nfs/dbraw/zinc/39/20/79/171392079.db2.gz HWILGWVBEFOAFD-ZWUHOBOKSA-N 0 3 278.396 2.193 10 0 CEAEHN CCCN(CCC)c1c(CNCC)c(C)nn1C ZINC000034823503 171877275 /nfs/dbraw/zinc/87/72/75/171877275.db2.gz XWQCJKCIMPHFEL-UHFFFAOYSA-N 0 3 252.406 2.464 10 0 CEAEHN CCCNCc1c(N(C)CC)nc2sccn12 ZINC000035430058 172198220 /nfs/dbraw/zinc/19/82/20/172198220.db2.gz DWPNEQPYLYIGJP-UHFFFAOYSA-N 0 3 252.387 2.352 10 0 CEAEHN CC[C@H](C)N(C)c1nc2sccn2c1CNC ZINC000035430204 172198977 /nfs/dbraw/zinc/19/89/77/172198977.db2.gz DZJKDJHXNNXKQC-VIFPVBQESA-N 0 3 252.387 2.350 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@H](N)[C@H](c2ccccc2F)C1 ZINC000035571757 172267227 /nfs/dbraw/zinc/26/72/27/172267227.db2.gz WKQFPVZPKMAOHI-AAEUAGOBSA-N 0 3 280.343 2.487 10 0 CEAEHN CCNC(=O)COc1ccc(C)cc1[C@@H](C)NCC ZINC000035629785 172310674 /nfs/dbraw/zinc/31/06/74/172310674.db2.gz RIJLIVKLIOQGOC-GFCCVEGCSA-N 0 3 264.369 2.180 10 0 CEAEHN CC[NH2+][C@H](C)c1ccccc1[N-]S(=O)(=O)CC ZINC000035645103 172322403 /nfs/dbraw/zinc/32/24/03/172322403.db2.gz OEKCFDGKJJFBKH-SNVBAGLBSA-N 0 3 256.371 2.119 10 0 CEAEHN CNCc1cc(Cl)cc(Cl)c1OCC(=O)N(C)C ZINC000035661967 172340180 /nfs/dbraw/zinc/34/01/80/172340180.db2.gz YRQFUPCZIDTGRR-UHFFFAOYSA-N 0 3 291.178 2.180 10 0 CEAEHN CN[C@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@H]1C ZINC000035760915 172399088 /nfs/dbraw/zinc/39/90/88/172399088.db2.gz VJZSNXQNUZJVEL-RDDDGLTNSA-N 0 3 259.758 2.024 10 0 CEAEHN CC(C)N[C@H]1CCCS(=O)(=O)c2ccc(F)cc21 ZINC000035761526 172399431 /nfs/dbraw/zinc/39/94/31/172399431.db2.gz CFQUGIXWWPUMPE-LBPRGKRZSA-N 0 3 271.357 2.432 10 0 CEAEHN Cc1cnn(C)c1CN[C@@H](CN(C)C)c1ccccc1 ZINC000285565903 196328695 /nfs/dbraw/zinc/32/86/95/196328695.db2.gz VSZWKBCHEVXHLR-HNNXBMFYSA-N 0 3 272.396 2.121 10 0 CEAEHN CN([C@@H](CN)c1ccc(F)cc1F)[C@@H]1CCSC1 ZINC000037174512 173008684 /nfs/dbraw/zinc/00/86/84/173008684.db2.gz LCQFTMWGPJSRMF-MFKMUULPSA-N 0 3 272.364 2.402 10 0 CEAEHN O=S1(=O)CC[C@@H](NC2CCCC2)c2ccccc21 ZINC000037186841 173017121 /nfs/dbraw/zinc/01/71/21/173017121.db2.gz RQDHCRVFFVOJCC-CYBMUJFWSA-N 0 3 265.378 2.437 10 0 CEAEHN O=S1(=O)CC[C@H](NC2CCCC2)c2ccccc21 ZINC000037186842 173017299 /nfs/dbraw/zinc/01/72/99/173017299.db2.gz RQDHCRVFFVOJCC-ZDUSSCGKSA-N 0 3 265.378 2.437 10 0 CEAEHN CC(C)C[C@H](C)NCc1cc(C(N)=O)ccc1F ZINC000037264869 173073577 /nfs/dbraw/zinc/07/35/77/173073577.db2.gz XBIXEQPKVBEHLV-JTQLQIEISA-N 0 3 252.333 2.449 10 0 CEAEHN COC1CCN([C@H](CN)c2cccc(Cl)c2)CC1 ZINC000037265872 173074599 /nfs/dbraw/zinc/07/45/99/173074599.db2.gz RNQTWKBMACDQQT-CQSZACIVSA-N 0 3 268.788 2.451 10 0 CEAEHN Cc1cccc(N)c1NC(=O)CN(C)C1CCCC1 ZINC000037273255 173085919 /nfs/dbraw/zinc/08/59/19/173085919.db2.gz QHKDRKVKVFBBHH-UHFFFAOYSA-N 0 3 261.369 2.390 10 0 CEAEHN O=c1[nH]c(CNC2CCCCC2)nc2ccccc21 ZINC000037300610 173106599 /nfs/dbraw/zinc/10/65/99/173106599.db2.gz IIHYIDFURWTTPJ-UHFFFAOYSA-N 0 3 257.337 2.345 10 0 CEAEHN CN(C)CCNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000037301250 173107378 /nfs/dbraw/zinc/10/73/78/173107378.db2.gz FIPWFYUNAOBJPM-UHFFFAOYSA-N 0 3 284.787 2.153 10 0 CEAEHN Cc1ncsc1[C@@H](C)N[C@H](C)Cn1ccnc1 ZINC000037320428 173120760 /nfs/dbraw/zinc/12/07/60/173120760.db2.gz OVVABXQZEJGNEZ-MWLCHTKSSA-N 0 3 250.371 2.387 10 0 CEAEHN CCN[C@@H](C)c1ccccc1OCCS(=O)(=O)CC ZINC000037370282 173159035 /nfs/dbraw/zinc/15/90/35/173159035.db2.gz NHFQAVDRZOSHPK-LBPRGKRZSA-N 0 3 285.409 2.171 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000037386277 173169175 /nfs/dbraw/zinc/16/91/75/173169175.db2.gz QIVUUOXYEYYCNO-LLVKDONJSA-N 0 3 278.352 2.175 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc3cccc(Cl)c3n2C)C1 ZINC000037443642 173212246 /nfs/dbraw/zinc/21/22/46/173212246.db2.gz PWWMPMHNESJOOU-KWQFWETISA-N 0 3 265.744 2.276 10 0 CEAEHN CCCOc1ccc([C@@](C)(NC(C)C)C(N)=O)cc1 ZINC000037446511 173213862 /nfs/dbraw/zinc/21/38/62/173213862.db2.gz JUFLCSMZZQIUFS-OAHLLOKOSA-N 0 3 264.369 2.174 10 0 CEAEHN COc1cc2c(cc1OC)CN([C@H]1CCCC[C@@H]1O)CC2 ZINC000037490896 173232410 /nfs/dbraw/zinc/23/24/10/173232410.db2.gz LBMNZRIRONJZOH-GJZGRUSLSA-N 0 3 291.391 2.365 10 0 CEAEHN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)CNC1CC1)C2 ZINC000037495208 173234935 /nfs/dbraw/zinc/23/49/35/173234935.db2.gz KVWALWIBDKRLIS-IUODEOHRSA-N 0 3 250.386 2.166 10 0 CEAEHN C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1CCCCN1 ZINC000037802931 173741769 /nfs/dbraw/zinc/74/17/69/173741769.db2.gz CLRIALPYLSONDQ-SMDDNHRTSA-N 0 3 264.344 2.487 10 0 CEAEHN OC[C@@H](NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000038114819 174125275 /nfs/dbraw/zinc/12/52/75/174125275.db2.gz VUYGGWMYBCQYAK-QWHCGFSZSA-N 0 3 255.745 2.142 10 0 CEAEHN C[C@@H](NC(=O)CNC1CC1)c1ccc(Br)cc1 ZINC000040415379 174255534 /nfs/dbraw/zinc/25/55/34/174255534.db2.gz GNIICFZTXLSHDI-SECBINFHSA-N 0 3 297.196 2.378 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000040629911 174357843 /nfs/dbraw/zinc/35/78/43/174357843.db2.gz REHNFGQFZDRAJX-GHMZBOCLSA-N 0 3 288.269 2.021 10 0 CEAEHN CCOc1ccc(NC(=O)[C@@H]2C[C@@H](OC)CN2)cc1Cl ZINC000040634161 174360365 /nfs/dbraw/zinc/36/03/65/174360365.db2.gz BHTOZYJNKASDMG-PWSUYJOCSA-N 0 3 298.770 2.054 10 0 CEAEHN CN1CCN(Cc2cc3ccccc3cc2N)CC1 ZINC000040638310 174362861 /nfs/dbraw/zinc/36/28/61/174362861.db2.gz ZOIQTKQRGPZGIK-UHFFFAOYSA-N 0 3 255.365 2.169 10 0 CEAEHN Cn1ccnc1CCNCc1ccc(Cl)s1 ZINC000040638913 174363326 /nfs/dbraw/zinc/36/33/26/174363326.db2.gz WPRHIHNUSZAIRX-UHFFFAOYSA-N 0 3 255.774 2.467 10 0 CEAEHN CCCCOc1ccc(CNC(C)(C)C(N)=O)cc1 ZINC000040674341 174372843 /nfs/dbraw/zinc/37/28/43/174372843.db2.gz HBALPHQPTOZSKS-UHFFFAOYSA-N 0 3 264.369 2.219 10 0 CEAEHN Cc1cc(=O)n(C[C@@H](N)c2cccc3ccccc32)cn1 ZINC000040728140 174387723 /nfs/dbraw/zinc/38/77/23/174387723.db2.gz PHUNBTQHLONCJL-MRXNPFEDSA-N 0 3 279.343 2.405 10 0 CEAEHN CC1CCN(CCNC(=O)c2cc(N)c(F)cc2F)CC1 ZINC000040770939 174399867 /nfs/dbraw/zinc/39/98/67/174399867.db2.gz VAQYPSPZVNOCNI-UHFFFAOYSA-N 0 3 297.349 2.009 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833475 174416321 /nfs/dbraw/zinc/41/63/21/174416321.db2.gz HGYCHVUHBKSBPP-NSHDSACASA-N 0 3 289.383 2.339 10 0 CEAEHN C[C@H]1C[C@H](O)CN(Cc2ccnc3ccccc23)C1 ZINC000401700595 414754432 /nfs/dbraw/zinc/75/44/32/414754432.db2.gz NKXRGBXZKMVSDD-JSGCOSHPSA-N 0 3 256.349 2.438 10 0 CEAEHN Cc1ccc(C)c(CC(=O)N(C)[C@@H](CN)C(F)(F)F)c1 ZINC000662976551 414816890 /nfs/dbraw/zinc/81/68/90/414816890.db2.gz GNRJMSQMBBLRPF-LBPRGKRZSA-N 0 3 288.313 2.194 10 0 CEAEHN CN(C(=O)c1ccccc1Cl)[C@@H](CN)C(F)(F)F ZINC000662977561 414817350 /nfs/dbraw/zinc/81/73/50/414817350.db2.gz VWGCHCNMCDGUMD-VIFPVBQESA-N 0 3 280.677 2.302 10 0 CEAEHN CSc1ccccc1C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662977148 414817640 /nfs/dbraw/zinc/81/76/40/414817640.db2.gz STXPOOVSEKCMAX-SNVBAGLBSA-N 0 3 292.326 2.370 10 0 CEAEHN CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@@H](CN)C(F)(F)F ZINC000662986384 414819180 /nfs/dbraw/zinc/81/91/80/414819180.db2.gz DLCPEWMYYSDLAR-UWVGGRQHSA-N 0 3 278.318 2.305 10 0 CEAEHN CC(C)(C)[C@@H]1CN(C[C@H]2CCC[C@H](O)C2)CCO1 ZINC000660441578 414822400 /nfs/dbraw/zinc/82/24/00/414822400.db2.gz GHIYRESFATWVLT-IHRRRGAJSA-N 0 3 255.402 2.284 10 0 CEAEHN CN[C@@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300568 175001324 /nfs/dbraw/zinc/00/13/24/175001324.db2.gz STVPDQXMMCBIIC-BXKDBHETSA-N 0 3 273.785 2.035 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043334345 175010736 /nfs/dbraw/zinc/01/07/36/175010736.db2.gz CMHYSWVWWGVJJD-GFQSEFKGSA-N 0 3 252.358 2.167 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccco1)N(C)Cc1cc(C)on1 ZINC000043335282 175011109 /nfs/dbraw/zinc/01/11/09/175011109.db2.gz JRZVRSGBBJKGCB-JSGCOSHPSA-N 0 3 263.341 2.486 10 0 CEAEHN NC[C@H](Oc1ccc(F)c(F)c1)c1ccccn1 ZINC000043343796 175016145 /nfs/dbraw/zinc/01/61/45/175016145.db2.gz HYHPJVIKZBLQJF-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN COc1ccc(CO[C@H](CN)c2cccnc2)cc1 ZINC000043350594 175019914 /nfs/dbraw/zinc/01/99/14/175019914.db2.gz KQGATQXRSSIVHQ-OAHLLOKOSA-N 0 3 258.321 2.307 10 0 CEAEHN Cc1cc(C)cc([C@@H](CN)N(C)Cc2cnn(C)c2)c1 ZINC000043394388 175034676 /nfs/dbraw/zinc/03/46/76/175034676.db2.gz XVYRIHKZRLSWAF-MRXNPFEDSA-N 0 3 272.396 2.169 10 0 CEAEHN CCOc1ccc([C@H](CN2CCOC[C@@H]2C)NC)cc1 ZINC000043891112 175118097 /nfs/dbraw/zinc/11/80/97/175118097.db2.gz MXUPIUCROVFQIJ-BBRMVZONSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](CN1CCOC(C)(C)C1)c1cc(C)ccc1OC ZINC000043897713 175120647 /nfs/dbraw/zinc/12/06/47/175120647.db2.gz DASQZUKTHYMVML-OAHLLOKOSA-N 0 3 292.423 2.375 10 0 CEAEHN CCOc1ccccc1[C@@H](CN1CCOCC1(C)C)NC ZINC000043916775 175125729 /nfs/dbraw/zinc/12/57/29/175125729.db2.gz FRKOUZUQPRJAFO-OAHLLOKOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCOC(=O)CCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000044363837 175167707 /nfs/dbraw/zinc/16/77/07/175167707.db2.gz IVQUTDQFQVWOKB-LLVKDONJSA-N 0 3 281.352 2.308 10 0 CEAEHN C[C@H](NC(=O)[C@H](CN)Cc1ccccc1)c1ccncc1 ZINC000044801136 175255605 /nfs/dbraw/zinc/25/56/05/175255605.db2.gz ZXXZBZSTUIDPML-BBRMVZONSA-N 0 3 283.375 2.076 10 0 CEAEHN Cc1ccnc(NC(=O)[C@H](CN)Cc2ccccc2)c1 ZINC000044799405 175255662 /nfs/dbraw/zinc/25/56/62/175255662.db2.gz FDHPUHBDMICENW-AWEZNQCLSA-N 0 3 269.348 2.146 10 0 CEAEHN CNC(=O)CCN[C@H]1CCc2cc(Br)ccc21 ZINC000044990479 175286011 /nfs/dbraw/zinc/28/60/11/175286011.db2.gz KCRDANGJXPCMKC-LBPRGKRZSA-N 0 3 297.196 2.162 10 0 CEAEHN CCNCc1c(C)nn(C)c1N(C)CC(C)(C)C ZINC000045085457 175303490 /nfs/dbraw/zinc/30/34/90/175303490.db2.gz GEFBRESVLBXEAQ-UHFFFAOYSA-N 0 3 252.406 2.320 10 0 CEAEHN CC1(C)C[C@@H]1N[C@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000045118813 175311800 /nfs/dbraw/zinc/31/18/00/175311800.db2.gz OBHYARIRFYRKAK-STQMWFEESA-N 0 3 278.396 2.225 10 0 CEAEHN CCC[C@](C)(N)c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169527 175319774 /nfs/dbraw/zinc/31/97/74/175319774.db2.gz XVVLXWASOSWVHH-AWEZNQCLSA-N 0 3 261.373 2.401 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC000045168989 175319955 /nfs/dbraw/zinc/31/99/55/175319955.db2.gz QDPAZATYQOWYMM-NRUUGDAUSA-N 0 3 251.374 2.255 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1CCCCCCC1)C(=O)[O-] ZINC000045223726 175331164 /nfs/dbraw/zinc/33/11/64/175331164.db2.gz BVFFEZBZDGEVRZ-OAHLLOKOSA-N 0 3 270.417 2.486 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045224590 175332689 /nfs/dbraw/zinc/33/26/89/175332689.db2.gz ABXHYWOEXZJXAK-GUTXKFCHSA-N 0 3 270.417 2.197 10 0 CEAEHN CCOC(=O)[C@](C)(CN1CCC(C)CC1)NC(C)C ZINC000045225451 175332774 /nfs/dbraw/zinc/33/27/74/175332774.db2.gz VYUNFOCNROQLMQ-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000045224592 175333130 /nfs/dbraw/zinc/33/31/30/175333130.db2.gz ABXHYWOEXZJXAK-VNHYZAJKSA-N 0 3 270.417 2.197 10 0 CEAEHN C[C@@H]1CCC[C@H](C)[N@H+]1CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000045231875 175335387 /nfs/dbraw/zinc/33/53/87/175335387.db2.gz FMXMAHVJFKKXCK-ZOWXZIJZSA-N 0 3 268.401 2.235 10 0 CEAEHN C[C@@H]1CCC[C@H](C)[N@@H+]1CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000045231875 175335388 /nfs/dbraw/zinc/33/53/88/175335388.db2.gz FMXMAHVJFKKXCK-ZOWXZIJZSA-N 0 3 268.401 2.235 10 0 CEAEHN C[C@@H]1CCC[C@H](C)N1CC[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000045231875 175335389 /nfs/dbraw/zinc/33/53/89/175335389.db2.gz FMXMAHVJFKKXCK-ZOWXZIJZSA-N 0 3 268.401 2.235 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1CCCC[C@@H]1CC)C(=O)[O-] ZINC000045265916 175339360 /nfs/dbraw/zinc/33/93/60/175339360.db2.gz NFNPUAOGPIFMOU-DZGCQCFKSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@](C)(CN(CC)CCC)C(=O)OCC ZINC000045267572 175340162 /nfs/dbraw/zinc/34/01/62/175340162.db2.gz SDAHMPHISZSMHC-CQSZACIVSA-N 0 3 258.406 2.040 10 0 CEAEHN CCCN(C[C@](C)(NC(C)C)C(=O)OCC)C1CC1 ZINC000045267902 175340293 /nfs/dbraw/zinc/34/02/93/175340293.db2.gz CDLJGGOHCIYJDP-HNNXBMFYSA-N 0 3 270.417 2.181 10 0 CEAEHN CCN[C@](CN(C)C(CC)CC)(C(N)=O)c1ccccc1 ZINC000045269591 175341169 /nfs/dbraw/zinc/34/11/69/175341169.db2.gz PEAAEMILYYYDNP-KRWDZBQOSA-N 0 3 291.439 2.097 10 0 CEAEHN CCOC(=O)[C@](N)(CN(C)[C@@H](C)C1CC1)c1ccccc1 ZINC000045270186 175341704 /nfs/dbraw/zinc/34/17/04/175341704.db2.gz QZDHFYXMECMNEE-GUYCJALGSA-N 0 3 290.407 2.134 10 0 CEAEHN CCCCN(C[C@](C)(NC(C)C)C(=O)OC)C1CC1 ZINC000045276266 175346548 /nfs/dbraw/zinc/34/65/48/175346548.db2.gz UJQHQKOBPMSIPW-HNNXBMFYSA-N 0 3 270.417 2.181 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)CC(C)(C)C)NC(C)C ZINC000045279347 175348969 /nfs/dbraw/zinc/34/89/69/175348969.db2.gz RMDFBNRTRHQUBN-OAHLLOKOSA-N 0 3 272.433 2.284 10 0 CEAEHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)C1CCC(F)(F)CC1 ZINC000655526725 415326914 /nfs/dbraw/zinc/32/69/14/415326914.db2.gz VFJLGODHOUYPMK-INTQDDNPSA-N 0 3 278.318 2.017 10 0 CEAEHN COc1ccc([C@H](C)NC2CC(CO)C2)cc1OC ZINC000658352089 415332746 /nfs/dbraw/zinc/33/27/46/415332746.db2.gz SJESVHQOQCHYMH-ZBOXLXRLSA-N 0 3 265.353 2.125 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccccc2SC)CCCN1 ZINC000659275232 415484773 /nfs/dbraw/zinc/48/47/73/415484773.db2.gz KRZPJQKPRISSJL-AWEZNQCLSA-N 0 3 280.393 2.116 10 0 CEAEHN Cc1ccc(OC[C@@H]2CNCCO2)c(Br)c1 ZINC000070834121 176008112 /nfs/dbraw/zinc/00/81/12/176008112.db2.gz JGFJYBCYZNUJGA-JTQLQIEISA-N 0 3 286.169 2.125 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc(F)c1F ZINC000070987548 176018432 /nfs/dbraw/zinc/01/84/32/176018432.db2.gz BQYQVDHAGYKEEA-SMDDNHRTSA-N 0 3 266.291 2.118 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000070987092 176018515 /nfs/dbraw/zinc/01/85/15/176018515.db2.gz FDMUXUXCCHZUQM-BXUZGUMPSA-N 0 3 284.281 2.257 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c(F)cccc1F ZINC000070987294 176018662 /nfs/dbraw/zinc/01/86/62/176018662.db2.gz OZVBJVISSQVGKD-FZMZJTMJSA-N 0 3 266.291 2.118 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(Cc2ccccc2)CC1 ZINC000070996207 176021056 /nfs/dbraw/zinc/02/10/56/176021056.db2.gz LMLBDXMGSOEQKA-OAHLLOKOSA-N 0 3 291.464 2.259 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2ccc(N3CCCC3)cc2)C1=O ZINC000071031285 176022583 /nfs/dbraw/zinc/02/25/83/176022583.db2.gz ZSFBGHBNKSTTJR-MRXNPFEDSA-N 0 3 287.407 2.390 10 0 CEAEHN Cc1ccc([C@H](C)N2CC[C@@H](NC3CC3)C2=O)s1 ZINC000071032297 176023852 /nfs/dbraw/zinc/02/38/52/176023852.db2.gz LAZJOWPKVJEHKC-CMPLNLGQSA-N 0 3 264.394 2.470 10 0 CEAEHN CCOc1ccccc1N1CC[C@H](NC(C)C)C1=O ZINC000071038140 176026425 /nfs/dbraw/zinc/02/64/25/176026425.db2.gz CJVPHNBIPSRTNV-LBPRGKRZSA-N 0 3 262.353 2.189 10 0 CEAEHN CC(C)N[C@H]1CCN(c2cccc3cccnc32)C1=O ZINC000071037586 176026536 /nfs/dbraw/zinc/02/65/36/176026536.db2.gz ZOGKMTBYQSAIFA-ZDUSSCGKSA-N 0 3 269.348 2.338 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1[C@@H]1CCCc2sccc21 ZINC000071042758 176029336 /nfs/dbraw/zinc/02/93/36/176029336.db2.gz UMCPAFFPJLSWNM-CHWSQXEVSA-N 0 3 276.405 2.478 10 0 CEAEHN CCN[C@@](CO[C@@H]1CCC[C@@H](CC)C1)(C(N)=O)C1CC1 ZINC000071133954 176035604 /nfs/dbraw/zinc/03/56/04/176035604.db2.gz ASAWZAZRCMHOFZ-XNRPHZJLSA-N 0 3 282.428 2.215 10 0 CEAEHN CCc1ccc(CN(CCOC)CCC(N)=S)cc1 ZINC000071225488 176089020 /nfs/dbraw/zinc/08/90/20/176089020.db2.gz XAMJHUKFKNSVOE-UHFFFAOYSA-N 0 3 280.437 2.374 10 0 CEAEHN NCc1cc2ccccc2nc1OCC1CCOCC1 ZINC000071385935 176147516 /nfs/dbraw/zinc/14/75/16/176147516.db2.gz AQYXSMDKMGRWCV-UHFFFAOYSA-N 0 3 272.348 2.499 10 0 CEAEHN CNCc1cc(C)ccc1O[C@@H](C)C(=O)NC(C)C ZINC000071403678 176155425 /nfs/dbraw/zinc/15/54/25/176155425.db2.gz ZXXAGNZFHFKFJF-LBPRGKRZSA-N 0 3 264.369 2.006 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1ccc(C)cc1CNC(C)C ZINC000071406635 176156504 /nfs/dbraw/zinc/15/65/04/176156504.db2.gz IICRPKHUGVXFLM-ZDUSSCGKSA-N 0 3 278.396 2.396 10 0 CEAEHN CCc1ccc(S(=O)(=O)CCNC(C)C)cc1 ZINC000071576817 176204583 /nfs/dbraw/zinc/20/45/83/176204583.db2.gz QXSKJUMFMMYKSA-UHFFFAOYSA-N 0 3 255.383 2.021 10 0 CEAEHN O=C(c1cc(Br)cs1)[C@@H]1CCCN1 ZINC000071585911 176211976 /nfs/dbraw/zinc/21/19/76/176211976.db2.gz QAQSIYTWOGVAMS-ZETCQYMHSA-N 0 3 260.156 2.445 10 0 CEAEHN CC(C)(C)OC(=O)Nc1ccc([C@@H](N)CO)cc1 ZINC000072199169 176339516 /nfs/dbraw/zinc/33/95/16/176339516.db2.gz LPRVGJUEFIVJKK-NSHDSACASA-N 0 3 252.314 2.026 10 0 CEAEHN CN[C@H](C(=O)c1c(C)cc(OC)cc1OC)C(C)C ZINC000076372374 177008396 /nfs/dbraw/zinc/00/83/96/177008396.db2.gz GLULGVVOPKRINU-AWEZNQCLSA-N 0 3 265.353 2.439 10 0 CEAEHN Cc1cccc(Cc2nc(C[NH2+]C(C)C)cc(=O)[n-]2)c1 ZINC000079940288 177584902 /nfs/dbraw/zinc/58/49/02/177584902.db2.gz CUWBRVQUCZAVJZ-UHFFFAOYSA-N 0 3 271.364 2.167 10 0 CEAEHN Cc1ncc(CNCC[C@@H](C)NC(=O)OC(C)(C)C)n1C ZINC000497205725 262105846 /nfs/dbraw/zinc/10/58/46/262105846.db2.gz YTGIQCDQLKCCQG-LLVKDONJSA-N 0 3 296.415 2.121 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C/c2scnc2C)C1 ZINC000188891551 270258300 /nfs/dbraw/zinc/25/83/00/270258300.db2.gz RRLBBIQHBAEPCU-NNNHXZLVSA-N 0 3 279.409 2.065 10 0 CEAEHN COc1cc(C)c(CN2C[C@H](O)CC[C@@H]2C)cc1OC ZINC000399391362 270369218 /nfs/dbraw/zinc/36/92/18/270369218.db2.gz CTPADHYIAHWVOD-GXTWGEPZSA-N 0 3 279.380 2.357 10 0 CEAEHN C[C@@H](CC(N)=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000124179701 274207846 /nfs/dbraw/zinc/20/78/46/274207846.db2.gz PLJJDNHJHNAOSX-CMPLNLGQSA-N 0 3 262.353 2.142 10 0 CEAEHN C[C@@H]1CC[C@H](N[C@@H]2CCCNC2=O)c2ccccc21 ZINC000211852685 287793156 /nfs/dbraw/zinc/79/31/56/287793156.db2.gz DKGPFSGAHKAXEN-BYCMXARLSA-N 0 3 258.365 2.493 10 0 CEAEHN c1ccc2[nH]c(N3CCN4CCCC[C@H]4C3)nc2c1 ZINC000270547495 275069007 /nfs/dbraw/zinc/06/90/07/275069007.db2.gz FCRWTDRQZITOER-LBPRGKRZSA-N 0 3 256.353 2.237 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000125564954 276376884 /nfs/dbraw/zinc/37/68/84/276376884.db2.gz QFIWUNJSIDHIPT-KGLIPLIRSA-N 0 3 297.443 2.070 10 0 CEAEHN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)N)o1 ZINC000157356482 276690373 /nfs/dbraw/zinc/69/03/73/276690373.db2.gz CFQDOOOYXDLKHL-JQWIXIFHSA-N 0 3 250.342 2.243 10 0 CEAEHN CN1c2ccccc2[C@@H](NC[C@@]2(C)CCCO2)CC1=O ZINC000094796889 277218051 /nfs/dbraw/zinc/21/80/51/277218051.db2.gz BSAJPVDQTKSVOI-XJKSGUPXSA-N 0 3 274.364 2.253 10 0 CEAEHN COc1ccc([C@H](NC[C@H]2CN(C)CCO2)C(C)C)cc1 ZINC000180163482 277934341 /nfs/dbraw/zinc/93/43/41/277934341.db2.gz XPKJYQHUCZOMEY-DLBZAZTESA-N 0 3 292.423 2.313 10 0 CEAEHN COc1ccsc1[C@H](C)N[C@@H]1CCc2ncnn2C1 ZINC000186207350 278070893 /nfs/dbraw/zinc/07/08/93/278070893.db2.gz OYWSTTIOBJXIKB-VHSXEESVSA-N 0 3 278.381 2.014 10 0 CEAEHN CC1(C)CCCN[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000261549374 278220621 /nfs/dbraw/zinc/22/06/21/278220621.db2.gz HZNWSUXLMAHFKX-RWMBFGLXSA-N 0 3 250.386 2.023 10 0 CEAEHN C[C@H](NC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1nccn1C ZINC000343536134 278262839 /nfs/dbraw/zinc/26/28/39/278262839.db2.gz PMQDJKIRLBTGGS-RNJOBUHISA-N 0 3 251.374 2.274 10 0 CEAEHN CC(C)(C(=O)N1CCN2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000171587145 278264329 /nfs/dbraw/zinc/26/43/29/278264329.db2.gz XMXZUNIYKZPTBK-HNNXBMFYSA-N 0 3 290.382 2.410 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN1CC(C)(C)OC(C)(C)C1 ZINC000190528568 278466619 /nfs/dbraw/zinc/46/66/19/278466619.db2.gz RLXKQEDJYIMYJZ-LBPRGKRZSA-N 0 3 273.417 2.052 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccc2c1OCO2 ZINC000068224278 279132756 /nfs/dbraw/zinc/13/27/56/279132756.db2.gz AFDDZUNSIQIHJU-GFCCVEGCSA-N 0 3 292.379 2.121 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCO[C@@H]1C ZINC000250978310 280254140 /nfs/dbraw/zinc/25/41/40/280254140.db2.gz VLTXTOCKMYHMCW-KFWWJZLASA-N 0 3 282.428 2.182 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nc(C2CCCC2)no1 ZINC000246787047 280310050 /nfs/dbraw/zinc/31/00/50/280310050.db2.gz SAIZZCNJAKSULY-JSGCOSHPSA-N 0 3 290.411 2.396 10 0 CEAEHN CCCCOC[C@H](O)CN(C)[C@H](C)c1ccco1 ZINC000248654692 280357798 /nfs/dbraw/zinc/35/77/98/280357798.db2.gz PTDAIKUPSJEKFD-CHWSQXEVSA-N 0 3 255.358 2.450 10 0 CEAEHN C[C@@H]1COCC[C@@H]1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000248843010 280368136 /nfs/dbraw/zinc/36/81/36/280368136.db2.gz GSYUWDXFUUIBQT-VNQPRFMTSA-N 0 3 290.407 2.078 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCS[C@H](C)CC2)C1 ZINC000249075593 280382866 /nfs/dbraw/zinc/38/28/66/280382866.db2.gz RAIMNUQCXURKCB-MGPQQGTHSA-N 0 3 299.484 2.252 10 0 CEAEHN Cc1nccnc1[C@H](C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000249168739 280387399 /nfs/dbraw/zinc/38/73/99/280387399.db2.gz ABIIGJJCWJRWAE-KWCYVHTRSA-N 0 3 262.401 2.164 10 0 CEAEHN OC[C@@H]1C[C@H]1NCc1cscc1C(F)(F)F ZINC000309594650 289277908 /nfs/dbraw/zinc/27/79/08/289277908.db2.gz UDWGGXXXSGIZAA-IMTBSYHQSA-N 0 3 251.273 2.237 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000190494470 297566304 /nfs/dbraw/zinc/56/63/04/297566304.db2.gz YCBDIBJSWGGLPG-BPUTZDHNSA-N 0 3 290.407 2.221 10 0 CEAEHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CCc2ncnn2C1 ZINC000180598655 301893450 /nfs/dbraw/zinc/89/34/50/301893450.db2.gz RXVVYRLWKWJXPT-ZFWWWQNUSA-N 0 3 298.390 2.405 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(N)c(F)c1 ZINC000054413445 519775438 /nfs/dbraw/zinc/77/54/38/519775438.db2.gz ZOCYBMRUVXJSDP-LBPRGKRZSA-N 0 3 281.375 2.114 10 0 CEAEHN CCCN[C@@H](CCN(CC)c1ccc(C)cc1)C(N)=O ZINC000062529105 519995392 /nfs/dbraw/zinc/99/53/92/519995392.db2.gz RNYNCFKDBTUGMP-HNNXBMFYSA-N 0 3 277.412 2.065 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC ZINC000062747036 520076903 /nfs/dbraw/zinc/07/69/03/520076903.db2.gz QFHGBCPJMORMHK-VHSXEESVSA-N 0 3 268.332 2.010 10 0 CEAEHN CCN[C@@H](CC[N@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000062461686 520086471 /nfs/dbraw/zinc/08/64/71/520086471.db2.gz UUFCRPRXRCFKIF-ZDUSSCGKSA-N 0 3 258.406 2.197 10 0 CEAEHN CCN[C@@H](CC[N@@H+](CC)CC(CC)CC)C(=O)[O-] ZINC000062461686 520086478 /nfs/dbraw/zinc/08/64/78/520086478.db2.gz UUFCRPRXRCFKIF-ZDUSSCGKSA-N 0 3 258.406 2.197 10 0 CEAEHN CCCN[C@](C)(CC[N@H+](C)C(C)(C)CC)C(=O)[O-] ZINC000069443280 520104543 /nfs/dbraw/zinc/10/45/43/520104543.db2.gz CRQBGZYENPPHJI-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN[C@](C)(CC[N@@H+](C)C(C)(C)CC)C(=O)[O-] ZINC000069443280 520104548 /nfs/dbraw/zinc/10/45/48/520104548.db2.gz CRQBGZYENPPHJI-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCC[NH2+][C@](C)(CCN(C)C(C)(C)CC)C(=O)[O-] ZINC000069443280 520104554 /nfs/dbraw/zinc/10/45/54/520104554.db2.gz CRQBGZYENPPHJI-CQSZACIVSA-N 0 3 258.406 2.340 10 0 CEAEHN CCN[C@H](CCOC)c1cc(OC)ccc1OC ZINC000055234716 520190989 /nfs/dbraw/zinc/19/09/89/520190989.db2.gz IRIOYAMYQXFQRC-CYBMUJFWSA-N 0 3 253.342 2.391 10 0 CEAEHN CCCC[C@@](CC)(NCCN(CC)CC)C(=O)OC ZINC000069381831 521122459 /nfs/dbraw/zinc/12/24/59/521122459.db2.gz OGIGMAAFHBAWQD-OAHLLOKOSA-N 0 3 272.433 2.430 10 0 CEAEHN CCN(CCOC)Cc1occc1CNC(C)C ZINC000052542664 521138817 /nfs/dbraw/zinc/13/88/17/521138817.db2.gz GRWFCVFOIZFJLJ-UHFFFAOYSA-N 0 3 254.374 2.246 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1nc(C)no1 ZINC000062746219 522332159 /nfs/dbraw/zinc/33/21/59/522332159.db2.gz IXKAZXSRCVQBJQ-QMMMGPOBSA-N 0 3 265.288 2.377 10 0 CEAEHN CCc1nc(N2CCC[C@@H]2CN(C)C)sc1C=O ZINC000061655550 522385977 /nfs/dbraw/zinc/38/59/77/522385977.db2.gz IENKOUHYVXEOMQ-SNVBAGLBSA-N 0 3 267.398 2.048 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCCC(=O)NC(C)C ZINC000062746306 522446430 /nfs/dbraw/zinc/44/64/30/522446430.db2.gz KKTLBUJGWPZYMO-LLVKDONJSA-N 0 3 282.359 2.400 10 0 CEAEHN CC(C)CN1CCN(C[C@@H]2CNc3ccccc3O2)CC1 ZINC000055083630 519726570 /nfs/dbraw/zinc/72/65/70/519726570.db2.gz DGICPZJYLIPNOP-HNNXBMFYSA-N 0 3 289.423 2.133 10 0 CEAEHN CC(C)[NH2+][C@@H](CCN(C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456666 519733941 /nfs/dbraw/zinc/73/39/41/519733941.db2.gz JUIZLCUGAOALBZ-RYUDHWBXSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)N[C@@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456666 519733944 /nfs/dbraw/zinc/73/39/44/519733944.db2.gz JUIZLCUGAOALBZ-RYUDHWBXSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)N[C@@H](CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456666 519733945 /nfs/dbraw/zinc/73/39/45/519733945.db2.gz JUIZLCUGAOALBZ-RYUDHWBXSA-N 0 3 258.406 2.194 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccc(Cl)cc1 ZINC000054744174 519748830 /nfs/dbraw/zinc/74/88/30/519748830.db2.gz FRYVRUNBZGKJNF-UHFFFAOYSA-N 0 3 265.748 2.061 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1cccc2c1NCCC2 ZINC000050957976 519814409 /nfs/dbraw/zinc/81/44/09/519814409.db2.gz VUPNZNPVCJQLBD-HNNXBMFYSA-N 0 3 289.423 2.361 10 0 CEAEHN CC(C)c1ccc(SC[C@](N)(C(N)=O)C2CC2)cc1 ZINC000069186515 519838908 /nfs/dbraw/zinc/83/89/08/519838908.db2.gz LLGGJEUFBRURGD-OAHLLOKOSA-N 0 3 278.421 2.495 10 0 CEAEHN CC(C)c1ccc(SCC[C@@H](N)C(N)=O)cc1 ZINC000062598609 519838951 /nfs/dbraw/zinc/83/89/51/519838951.db2.gz UGRWVYYATHPABB-GFCCVEGCSA-N 0 3 252.383 2.105 10 0 CEAEHN CCC1CCC([N@H+](C)CC[C@H](NC2CC2)C(=O)[O-])CC1 ZINC000062525981 519853214 /nfs/dbraw/zinc/85/32/14/519853214.db2.gz PSJQBMSGFOKDOB-ZALBZXLWSA-N 0 3 282.428 2.482 10 0 CEAEHN CCC1CCC([N@@H+](C)CC[C@H](NC2CC2)C(=O)[O-])CC1 ZINC000062525981 519853215 /nfs/dbraw/zinc/85/32/15/519853215.db2.gz PSJQBMSGFOKDOB-ZALBZXLWSA-N 0 3 282.428 2.482 10 0 CEAEHN CC(C)c1csc(NC(=O)[C@](C)(N)C2CC2)n1 ZINC000049237334 519856229 /nfs/dbraw/zinc/85/62/29/519856229.db2.gz IFZGLCJNWNOABK-GFCCVEGCSA-N 0 3 253.371 2.332 10 0 CEAEHN CCC1CCN(CCn2cc(CNC(C)(C)C)nn2)CC1 ZINC000052347005 519859223 /nfs/dbraw/zinc/85/92/23/519859223.db2.gz ODHSRLXYCAIOEK-UHFFFAOYSA-N 0 3 293.459 2.288 10 0 CEAEHN CCCNC(=O)[C@@H](CN)Cc1cccc(OCCC)c1 ZINC000052920853 519889560 /nfs/dbraw/zinc/88/95/60/519889560.db2.gz GAXAVMQBBVTLJK-CQSZACIVSA-N 0 3 278.396 2.119 10 0 CEAEHN CCCC1CCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 ZINC000050906274 519900467 /nfs/dbraw/zinc/90/04/67/519900467.db2.gz ZZBNDHAZLRDQMK-INIZCTEOSA-N 0 3 290.407 2.301 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000061298866 519907599 /nfs/dbraw/zinc/90/75/99/519907599.db2.gz RVMJERUPOSYHOJ-UHFFFAOYSA-N 0 3 289.379 2.362 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(COCCOC)c1 ZINC000061293511 519907620 /nfs/dbraw/zinc/90/76/20/519907620.db2.gz JWDBEXGSVBYTQR-UHFFFAOYSA-N 0 3 294.395 2.176 10 0 CEAEHN CCCNCc1ccoc1CN(CCOC)C1CC1 ZINC000052542405 519958582 /nfs/dbraw/zinc/95/85/82/519958582.db2.gz IXDZYXMTONEELK-UHFFFAOYSA-N 0 3 266.385 2.390 10 0 CEAEHN CCNCc1cc(OC)ccc1OC[C@@H](O)C(F)(F)F ZINC000068875816 519993761 /nfs/dbraw/zinc/99/37/61/519993761.db2.gz ZWAIMSAVZUQCSC-GFCCVEGCSA-N 0 3 293.285 2.107 10 0 CEAEHN CCCN[C@@H](CCN1CCC(C)(C)CC1)C(=O)OC ZINC000062533091 520000050 /nfs/dbraw/zinc/00/00/50/520000050.db2.gz FHFOEZNVZQREPA-ZDUSSCGKSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNCc1ccoc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000052543434 520013957 /nfs/dbraw/zinc/01/39/57/520013957.db2.gz DQXFSUQDFOOAKQ-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1cnc(N(C)[C@H]2CCSC2)s1 ZINC000054902990 520016165 /nfs/dbraw/zinc/01/61/65/520016165.db2.gz QQELPSGUFLBLSF-VIFPVBQESA-N 0 3 257.428 2.194 10 0 CEAEHN CCCN[C@@H]1COc2cc(O[C@@H](C)C(=O)NCC)ccc21 ZINC000062805179 520027330 /nfs/dbraw/zinc/02/73/30/520027330.db2.gz DEVVNLMRNIJABN-SMDDNHRTSA-N 0 3 292.379 2.023 10 0 CEAEHN CCNCc1occc1CN1C[C@@H](C)OC[C@@H]1CC ZINC000052570970 520030549 /nfs/dbraw/zinc/03/05/49/520030549.db2.gz RNHAPQBXOTYROK-OCCSQVGLSA-N 0 3 266.385 2.388 10 0 CEAEHN CCCN[C@H](Cc1ccccc1Cl)CS(C)(=O)=O ZINC000052789210 520086664 /nfs/dbraw/zinc/08/66/64/520086664.db2.gz DOEBWZISFVGILX-GFCCVEGCSA-N 0 3 289.828 2.295 10 0 CEAEHN CCCN[C@H](CSCc1ccccc1C)C(N)=O ZINC000054964761 520087512 /nfs/dbraw/zinc/08/75/12/520087512.db2.gz ABBXJQCMDYJZEJ-CYBMUJFWSA-N 0 3 266.410 2.082 10 0 CEAEHN CCCN[C@H](c1ccc2c(c1)CCCO2)[C@@H]1COCCO1 ZINC000055301024 520091322 /nfs/dbraw/zinc/09/13/22/520091322.db2.gz COJFPXGILKQQAP-DLBZAZTESA-N 0 3 291.391 2.468 10 0 CEAEHN CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1COCCO1 ZINC000055299893 520109442 /nfs/dbraw/zinc/10/94/42/520109442.db2.gz FEGVLAJPLFEMAP-STQMWFEESA-N 0 3 255.745 2.406 10 0 CEAEHN CCCN[C@](CN(CC)C(C)C)(C(=O)OCC)C1CC1 ZINC000069097134 520119362 /nfs/dbraw/zinc/11/93/62/520119362.db2.gz UGVXVGWGAVCOIF-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCN[C@](CN(CC)C(C)C)(C(=O)OC)C1CC1 ZINC000069097104 520119778 /nfs/dbraw/zinc/11/97/78/520119778.db2.gz LVPBDPWSCMYSJJ-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCNc1cc(C(=O)N[C@H]2CCCN(CC)C2)ccn1 ZINC000050777701 520133078 /nfs/dbraw/zinc/13/30/78/520133078.db2.gz HKHWHNXGNQVNSY-AWEZNQCLSA-N 0 3 290.411 2.118 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1ccc(CC)cc1)C(N)=O ZINC000068655638 520141224 /nfs/dbraw/zinc/14/12/24/520141224.db2.gz QZDHWDAQSUIGPJ-WBMJQRKESA-N 0 3 278.396 2.260 10 0 CEAEHN CCCCCN(C)C[C@](NC)(C(=O)OCC)C1CC1 ZINC000069098408 520152386 /nfs/dbraw/zinc/15/23/86/520152386.db2.gz DAXQSJKWPILADB-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@](COc1ccccc1C(C)C)(C(N)=O)C1CC1 ZINC000069197805 520158902 /nfs/dbraw/zinc/15/89/02/520158902.db2.gz ANAYFSFXTIWOKD-QGZVFWFLSA-N 0 3 290.407 2.432 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCCCC(=O)NC ZINC000068816952 520177782 /nfs/dbraw/zinc/17/77/82/520177782.db2.gz FPQSVROTKLHAME-LLVKDONJSA-N 0 3 282.359 2.401 10 0 CEAEHN CCN[C@H](CN1CCN(C)C1=O)c1cc(C)ccc1OC ZINC000052885547 520196550 /nfs/dbraw/zinc/19/65/50/520196550.db2.gz OPJDPGYHZDPHSX-CQSZACIVSA-N 0 3 291.395 2.022 10 0 CEAEHN CCN[C@H](Cc1ccccc1OC)c1cncnc1 ZINC000052887290 520203036 /nfs/dbraw/zinc/20/30/36/520203036.db2.gz IIMWLBHFHXLIQL-CQSZACIVSA-N 0 3 257.337 2.379 10 0 CEAEHN CCN[C@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000051632015 520215208 /nfs/dbraw/zinc/21/52/08/520215208.db2.gz JFMDRXOQBSQKAL-GJZGRUSLSA-N 0 3 258.365 2.274 10 0 CEAEHN CCN[C@](CN1CCCC(C)(C)C1)(C(=O)OCC)C1CC1 ZINC000069516681 520248009 /nfs/dbraw/zinc/24/80/09/520248009.db2.gz RZSYXFZNDBKHAH-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCO[C@@H]1CCCN(Cc2cc(C)c(CN)o2)C1 ZINC000052372227 520319101 /nfs/dbraw/zinc/31/91/01/520319101.db2.gz KCEMSHAUKXSCGV-GFCCVEGCSA-N 0 3 252.358 2.048 10 0 CEAEHN CCNc1ccccc1C(=O)N[C@@H](C)CN1CCCC1 ZINC000050787868 520339353 /nfs/dbraw/zinc/33/93/53/520339353.db2.gz POMCHARLNCBQFR-ZDUSSCGKSA-N 0 3 275.396 2.333 10 0 CEAEHN CCCOc1ccc(CNC)c(OCCCC(=O)NC)c1 ZINC000068816442 520363576 /nfs/dbraw/zinc/36/35/76/520363576.db2.gz YXRGJHPTWGNXJL-UHFFFAOYSA-N 0 3 294.395 2.100 10 0 CEAEHN CCCOc1ccc(CNC(C)(C)C)c(OCC(N)=O)c1 ZINC000062727379 520364382 /nfs/dbraw/zinc/36/43/82/520364382.db2.gz OQNFUXVTMVRVRK-UHFFFAOYSA-N 0 3 294.395 2.228 10 0 CEAEHN CCCOc1ccc([C@@H]2[C@H](N)CC(=O)N2CCC)cc1 ZINC000062209641 520425098 /nfs/dbraw/zinc/42/50/98/520425098.db2.gz BAMITNAGNTXWAY-GDBMZVCRSA-N 0 3 276.380 2.486 10 0 CEAEHN CCCOc1cccc(C[C@@H](CN)C(=O)N(CC)CC)c1 ZINC000052920865 520456151 /nfs/dbraw/zinc/45/61/51/520456151.db2.gz WRGVXGURXNPNKW-HNNXBMFYSA-N 0 3 292.423 2.461 10 0 CEAEHN CCCOc1cccc([C@H](CN)N2CCOC[C@@H]2C)c1 ZINC000052920991 520467016 /nfs/dbraw/zinc/46/70/16/520467016.db2.gz ZSFBMGNEQCXRTH-BBRMVZONSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCCN(CCO)Cc1cccnc1NCCC ZINC000052725546 520523749 /nfs/dbraw/zinc/52/37/49/520523749.db2.gz HDASIWWKZXTFRM-UHFFFAOYSA-N 0 3 265.401 2.498 10 0 CEAEHN CCCCN(CCO)c1ccc(F)cc1CNCCOC ZINC000062737224 520527833 /nfs/dbraw/zinc/52/78/33/520527833.db2.gz WKXOMPSDGFIWDY-UHFFFAOYSA-N 0 3 298.402 2.161 10 0 CEAEHN CCC[C@@H](C)NC(=O)[C@H](C)N[C@@H](CC(C)C)CN(C)C ZINC000049555878 520662603 /nfs/dbraw/zinc/66/26/03/520662603.db2.gz CRLVCNXQMWRECB-ILXRZTDVSA-N 0 3 285.476 2.246 10 0 CEAEHN CCOC(=O)CCNCc1c(C)nc2sc(C)cn12 ZINC000045687496 520687312 /nfs/dbraw/zinc/68/73/12/520687312.db2.gz ZLCACURUIFRJEB-UHFFFAOYSA-N 0 3 281.381 2.055 10 0 CEAEHN CCOC(=O)CCNCc1cccc2cnccc21 ZINC000061125588 520690237 /nfs/dbraw/zinc/69/02/37/520690237.db2.gz GMXBFFZUXKJSMB-UHFFFAOYSA-N 0 3 258.321 2.278 10 0 CEAEHN CCN(CC)[C@@H]1CCN(c2ncc(C(C)=O)s2)C1 ZINC000062975051 520849075 /nfs/dbraw/zinc/84/90/75/520849075.db2.gz YTAGTTYGIACJSS-LLVKDONJSA-N 0 3 267.398 2.266 10 0 CEAEHN CCOC(=O)C[C@@]1(N2CCOCC2)CCC[C@@H](C)[C@@H]1C ZINC000068633936 520861459 /nfs/dbraw/zinc/86/14/59/520861459.db2.gz JYBHYDMZCQJDOH-YCPHGPKFSA-N 0 3 283.412 2.467 10 0 CEAEHN CCN(CC[C@H](NC)C(N)=O)c1cccc2ccccc21 ZINC000062437877 521159949 /nfs/dbraw/zinc/15/99/49/521159949.db2.gz HTPWVIFOVXGVIP-HNNXBMFYSA-N 0 3 285.391 2.130 10 0 CEAEHN CCN(C[C@@H]1CCCO1)[C@@H]1CNCc2ccccc21 ZINC000069266186 521227725 /nfs/dbraw/zinc/22/77/25/521227725.db2.gz PRVRZLQOYQFYQA-GOEBONIOSA-N 0 3 260.381 2.332 10 0 CEAEHN CCOC(=O)[C@](CN(C)CCC(C)C)(NC1CC1)C1CC1 ZINC000069183734 521336587 /nfs/dbraw/zinc/33/65/87/521336587.db2.gz SNZYBXXMNQQMQA-QGZVFWFLSA-N 0 3 296.455 2.428 10 0 CEAEHN CCOC(=O)[C@](CN1CCCC[C@@H]1C)(NC1CC1)C1CC1 ZINC000069093796 521341229 /nfs/dbraw/zinc/34/12/29/521341229.db2.gz VGOXAPKMMDVSDT-SUMWQHHRSA-N 0 3 294.439 2.325 10 0 CEAEHN CCCc1ccc(-n2nnnc2CNCC(C)C)cc1 ZINC000054745059 521388638 /nfs/dbraw/zinc/38/86/38/521388638.db2.gz RBLAWPMSHOPJES-UHFFFAOYSA-N 0 3 273.384 2.360 10 0 CEAEHN CCN1C(=O)C[C@H](N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000070293069 521524717 /nfs/dbraw/zinc/52/47/17/521524717.db2.gz HSTLWKTUBNVRFX-CMPLNLGQSA-N 0 3 272.270 2.326 10 0 CEAEHN CCOc1ccccc1NC(=O)c1cc[nH]c(=NN)c1 ZINC000051089493 521552254 /nfs/dbraw/zinc/55/22/54/521552254.db2.gz XOYQAMGKRLSMDD-UHFFFAOYSA-N 0 3 272.308 2.018 10 0 CEAEHN CCCn1cc([C@@H](N)Cc2nc(C)cs2)cn1 ZINC000055267708 521655020 /nfs/dbraw/zinc/65/50/20/521655020.db2.gz VVGJAQHTPYZDQF-NSHDSACASA-N 0 3 250.371 2.301 10 0 CEAEHN CCCN(C[C@@](NCC)(C(=O)OCC)C1CC1)C1CC1 ZINC000069098262 521676348 /nfs/dbraw/zinc/67/63/48/521676348.db2.gz ZIJBEMPCIXGWMB-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCc1ccccc1CN[C@H](CC(C)C)C(=O)NC ZINC000052202737 521843860 /nfs/dbraw/zinc/84/38/60/521843860.db2.gz DRKOOYLEOHTTNL-OAHLLOKOSA-N 0 3 262.397 2.499 10 0 CEAEHN CN(C)C[C@H]1CCCN1CC(=O)c1c[nH]c2ccccc12 ZINC000061645621 521866081 /nfs/dbraw/zinc/86/60/81/521866081.db2.gz RUTGJJCOOVGWCL-CYBMUJFWSA-N 0 3 285.391 2.377 10 0 CEAEHN CN(C)C[C@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000061644127 521871177 /nfs/dbraw/zinc/87/11/77/521871177.db2.gz QGRAVBPJPCSXGP-GFCCVEGCSA-N 0 3 253.777 2.261 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000061300664 521943719 /nfs/dbraw/zinc/94/37/19/521943719.db2.gz RXBXVVYEMUFVEN-UHFFFAOYSA-N 0 3 292.770 2.462 10 0 CEAEHN COCCc1ccc(OCc2ccnc(CN)c2)cc1 ZINC000068751567 522012785 /nfs/dbraw/zinc/01/27/85/522012785.db2.gz AJFGFFZCLVUBGF-UHFFFAOYSA-N 0 3 272.348 2.308 10 0 CEAEHN CC[C@H](C)c1ccccc1OCC[C@@H](NC)C(N)=O ZINC000062551086 522050004 /nfs/dbraw/zinc/05/00/04/522050004.db2.gz RNASOCXZEGKPHM-WCQYABFASA-N 0 3 264.369 2.042 10 0 CEAEHN CNCc1cccc(N(CCOC)[C@H](C)C2CC2)n1 ZINC000051491532 522126941 /nfs/dbraw/zinc/12/69/41/522126941.db2.gz LBXZFTKWNBIZSJ-GFCCVEGCSA-N 0 3 263.385 2.052 10 0 CEAEHN CNCc1cccc(NC(=O)c2cncc(F)c2)c1 ZINC000156680502 522132226 /nfs/dbraw/zinc/13/22/26/522132226.db2.gz SBRJGIWLILACJG-UHFFFAOYSA-N 0 3 259.284 2.192 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(Cl)c(CO)n2)CC1 ZINC000055069066 522134906 /nfs/dbraw/zinc/13/49/06/522134906.db2.gz YCVYEWQHNQVQOO-LLVKDONJSA-N 0 3 283.803 2.148 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(Cl)c(CN)n2)CC1 ZINC000055073558 522135011 /nfs/dbraw/zinc/13/50/11/522135011.db2.gz PPAISBFWPPQEON-LLVKDONJSA-N 0 3 282.819 2.114 10 0 CEAEHN CNCc1nc(N2CCN(CC(C)C)CC2)ccc1Cl ZINC000055082634 522154476 /nfs/dbraw/zinc/15/44/76/522154476.db2.gz LSQASMVOAFBHAZ-UHFFFAOYSA-N 0 3 296.846 2.232 10 0 CEAEHN CN[C@@H](Cc1cc(C)ccc1OC)c1ccncn1 ZINC000070097484 522358776 /nfs/dbraw/zinc/35/87/76/522358776.db2.gz FFAIDHADKLUKEH-AWEZNQCLSA-N 0 3 257.337 2.297 10 0 CEAEHN CCc1nc(Cn2nc(C)c(CN)c2C)cs1 ZINC000049275991 522378808 /nfs/dbraw/zinc/37/88/08/522378808.db2.gz LEYJSFCYHGSPEL-UHFFFAOYSA-N 0 3 250.371 2.026 10 0 CEAEHN CN[C@@H]1COc2cc(OCc3cc(C)on3)ccc21 ZINC000062804158 522401371 /nfs/dbraw/zinc/40/13/71/522401371.db2.gz KVMDSXWCTRXHCE-CYBMUJFWSA-N 0 3 260.293 2.215 10 0 CEAEHN CN[C@H]1COc2cc(OCc3ccncc3)ccc21 ZINC000062804464 522508447 /nfs/dbraw/zinc/50/84/47/522508447.db2.gz VDMPZBJXBFZEAC-AWEZNQCLSA-N 0 3 256.305 2.314 10 0 CEAEHN CN[C@](CN1CCC2(CCCC2)CC1)(C(=O)OC)C1CC1 ZINC000069232586 522527821 /nfs/dbraw/zinc/52/78/21/522527821.db2.gz WYDXRHGKWKCKQR-KRWDZBQOSA-N 0 3 294.439 2.184 10 0 CEAEHN COC1CCN(c2cc(Cl)ccc2CN)CC1 ZINC000062786787 522709763 /nfs/dbraw/zinc/70/97/63/522709763.db2.gz CYMNIQCJBIALSZ-UHFFFAOYSA-N 0 3 254.761 2.414 10 0 CEAEHN COc1cc(OC)cc([C@@H](O)[C@@H](N)c2ccccc2)c1 ZINC000054681825 522876864 /nfs/dbraw/zinc/87/68/64/522876864.db2.gz AVBZXLDRMBRELQ-JKSUJKDBSA-N 0 3 273.332 2.437 10 0 CEAEHN CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(CN)c1 ZINC000049120917 523063137 /nfs/dbraw/zinc/06/31/37/523063137.db2.gz SGPAZWUYOYEKLQ-DZGCQCFKSA-N 0 3 296.436 2.392 10 0 CEAEHN CN(C[C@@](N)(CO)c1ccccc1)c1ccc(F)cc1 ZINC000070338260 523088585 /nfs/dbraw/zinc/08/85/85/523088585.db2.gz WRLDVZAUSGQYEJ-MRXNPFEDSA-N 0 3 274.339 2.108 10 0 CEAEHN CN(C[C@H]1CCCO1)[C@@H](CN)c1ccc2ncccc2c1 ZINC000069502618 523127662 /nfs/dbraw/zinc/12/76/62/523127662.db2.gz DRMOCZKAVYJBBC-WBVHZDCISA-N 0 3 285.391 2.345 10 0 CEAEHN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1 ZINC000068602971 523276858 /nfs/dbraw/zinc/27/68/58/523276858.db2.gz XILOCCPMIRCXAW-XPKDYRNWSA-N 0 3 290.407 2.347 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1ccc2ncccc2c1 ZINC000069502537 523334938 /nfs/dbraw/zinc/33/49/38/523334938.db2.gz LNMJSXIGHRONOA-RDJZCZTQSA-N 0 3 285.391 2.345 10 0 CEAEHN CN(Cc1ccnc(C(N)=S)c1)CC(C)(C)C ZINC000068752640 523450758 /nfs/dbraw/zinc/45/07/58/523450758.db2.gz HSNHVRPDGNRWLE-UHFFFAOYSA-N 0 3 251.399 2.194 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1nccn1CC ZINC000374210179 523478538 /nfs/dbraw/zinc/47/85/38/523478538.db2.gz TYWKVTUPERMVMB-HUUCEWRRSA-N 0 3 276.428 2.352 10 0 CEAEHN CC[C@@H]1CSC(NC[C@@H]2Cc3ccccc3O2)=N1 ZINC000051087002 523520877 /nfs/dbraw/zinc/52/08/77/523520877.db2.gz SRYYGLSVBKFMGK-NEPJUHHUSA-N 0 3 262.378 2.461 10 0 CEAEHN CCn1ccnc1NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000050608525 523551083 /nfs/dbraw/zinc/55/10/83/523551083.db2.gz XQHUBTPDJJWIOF-JTQLQIEISA-N 0 3 276.306 2.199 10 0 CEAEHN CCn1ccnc1[C@@H](N)Cc1ccc(OC)c(OC)c1 ZINC000069497815 523554361 /nfs/dbraw/zinc/55/43/61/523554361.db2.gz CVMUAXCOVMUMQV-LBPRGKRZSA-N 0 3 275.352 2.163 10 0 CEAEHN COCCN(C)CCNc1cc2nc(C)sc2cc1N ZINC000061378092 523613736 /nfs/dbraw/zinc/61/37/36/523613736.db2.gz LZVSOGSQOZMPSB-UHFFFAOYSA-N 0 3 294.424 2.177 10 0 CEAEHN COCCN(C)CCNc1ccnc2ccccc21 ZINC000061379525 523617261 /nfs/dbraw/zinc/61/72/61/523617261.db2.gz NCZRSRLEEPXPED-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN COCCN(C)CCn1ccc2c1CC(C)(C)C[C@@H]2O ZINC000061380794 523618975 /nfs/dbraw/zinc/61/89/75/523618975.db2.gz AIVRDGKEKGEWGB-HNNXBMFYSA-N 0 3 280.412 2.072 10 0 CEAEHN CN(c1cc(Cl)ccc1CN)C1CCOCC1 ZINC000062786854 523631977 /nfs/dbraw/zinc/63/19/77/523631977.db2.gz MQPCXUPWYBKAGG-UHFFFAOYSA-N 0 3 254.761 2.414 10 0 CEAEHN CN(c1nc(C2CC2)c(CO)s1)[C@H]1CCCN(C)C1 ZINC000069182785 523663121 /nfs/dbraw/zinc/66/31/21/523663121.db2.gz BIWKTWPSLVFJBG-NSHDSACASA-N 0 3 281.425 2.043 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc3c([nH]2)CCc2sccc2-3)C1 ZINC000061327103 523743549 /nfs/dbraw/zinc/74/35/49/523743549.db2.gz AJXASNWMOQZUOB-KWQFWETISA-N 0 3 275.377 2.286 10 0 CEAEHN COCCN([C@@H](CN)c1ccc(F)c(C)c1)C1CC1 ZINC000050546401 523780869 /nfs/dbraw/zinc/78/08/69/523780869.db2.gz KXLIBAKFRFNGSG-HNNXBMFYSA-N 0 3 266.360 2.245 10 0 CEAEHN CN1CCCC[C@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000061641105 523800327 /nfs/dbraw/zinc/80/03/27/523800327.db2.gz NVPNSYTVTYDWTR-KRWDZBQOSA-N 0 3 284.407 2.446 10 0 CEAEHN COc1ccc(C)cc1[C@H](N)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000052943461 523860116 /nfs/dbraw/zinc/86/01/16/523860116.db2.gz ULVCXEBBSJDAQY-OAHLLOKOSA-N 0 3 283.331 2.221 10 0 CEAEHN CCc1ccc(-c2ncc(CNCCOC)cn2)cc1 ZINC000054856736 523861197 /nfs/dbraw/zinc/86/11/97/523861197.db2.gz HWKHREBAZJKEDS-UHFFFAOYSA-N 0 3 271.364 2.442 10 0 CEAEHN CC[C@H](C)N(CCOC)C(=O)[C@@H](CN)c1ccccc1 ZINC000061612984 523937744 /nfs/dbraw/zinc/93/77/44/523937744.db2.gz AXJUSWXEBPOZEL-ZFWWWQNUSA-N 0 3 278.396 2.002 10 0 CEAEHN COCCNCc1c(C)nc(CCC(C)C)nc1C ZINC000054854600 523945878 /nfs/dbraw/zinc/94/58/78/523945878.db2.gz RYTMPLRKVZXWRT-UHFFFAOYSA-N 0 3 265.401 2.418 10 0 CEAEHN COCCNCc1c(C)nn(CCC(C)C)c1C ZINC000054717639 523947402 /nfs/dbraw/zinc/94/74/02/523947402.db2.gz JOYYWZXBXIRUFO-UHFFFAOYSA-N 0 3 253.390 2.282 10 0 CEAEHN COCCNCc1c(N2CCCCC2)nc2sccn12 ZINC000062734700 523949064 /nfs/dbraw/zinc/94/90/64/523949064.db2.gz LWBJUSVWJBOPNY-UHFFFAOYSA-N 0 3 294.424 2.122 10 0 CEAEHN COCCNCc1cc(Cl)ccc1O[C@@H]1CCC[C@@H]1O ZINC000062731035 523949190 /nfs/dbraw/zinc/94/91/90/523949190.db2.gz GLHAKRYNQYLABM-DZGCQCFKSA-N 0 3 299.798 2.368 10 0 CEAEHN CC[C@H](C)N1CCN(CC[C@H](O)C(C)(C)C)CC1 ZINC000055073090 523954792 /nfs/dbraw/zinc/95/47/92/523954792.db2.gz KWFZEEAUCPMCSQ-KBPBESRZSA-N 0 3 256.434 2.200 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(Cl)c(CO)n2)CC1 ZINC000055069069 523960123 /nfs/dbraw/zinc/96/01/23/523960123.db2.gz YCVYEWQHNQVQOO-NSHDSACASA-N 0 3 283.803 2.148 10 0 CEAEHN CN1CC[C@H](Nc2nc(Cl)nc3ccccc32)C1 ZINC000052811654 523990991 /nfs/dbraw/zinc/99/09/91/523990991.db2.gz XLYPYAVAWAEWIL-VIFPVBQESA-N 0 3 262.744 2.399 10 0 CEAEHN CC[C@H](C)N[C@@H](C(N)=O)c1cccc2cccnc21 ZINC000069503197 524005925 /nfs/dbraw/zinc/00/59/25/524005925.db2.gz PSQJQSCWTLLARY-IINYFYTJSA-N 0 3 257.337 2.149 10 0 CEAEHN CCc1cccc(C)c1NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049630611 524066378 /nfs/dbraw/zinc/06/63/78/524066378.db2.gz CNABMAIAUIHODS-CQSZACIVSA-N 0 3 296.436 2.441 10 0 CEAEHN C[C@H]1CCCN(Cc2ccnc(C(N)=S)c2)CC1 ZINC000068753076 524095042 /nfs/dbraw/zinc/09/50/42/524095042.db2.gz AUKXPQMYEQMJQT-NSHDSACASA-N 0 3 263.410 2.338 10 0 CEAEHN Cc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc(=O)[nH]1 ZINC000183499449 524147496 /nfs/dbraw/zinc/14/74/96/524147496.db2.gz HUOSYKDZOUHWGK-OAHLLOKOSA-N 0 3 299.374 2.128 10 0 CEAEHN C[C@H]1CCC[C@H](C(=O)NCc2ccc(F)c(F)c2)N1 ZINC000049575593 524178738 /nfs/dbraw/zinc/17/87/38/524178738.db2.gz NLPLQJZFXPSGSP-TVQRCGJNSA-N 0 3 268.307 2.112 10 0 CEAEHN COc1ccc(Cl)cc1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069132683 524195886 /nfs/dbraw/zinc/19/58/86/524195886.db2.gz XXOQBYAWBJAWCA-AOOOYVTPSA-N 0 3 282.771 2.171 10 0 CEAEHN C[C@H](CN1CCCC1)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000049151454 524320151 /nfs/dbraw/zinc/32/01/51/524320151.db2.gz PRMKRZVVNRNMOC-HIFRSBDPSA-N 0 3 287.407 2.168 10 0 CEAEHN C[C@H](CN1CCCCC1)NC1=NC(C)(C)CS1 ZINC000049502347 524330430 /nfs/dbraw/zinc/33/04/30/524330430.db2.gz RQQMFIWGOSEPEJ-LLVKDONJSA-N 0 3 255.431 2.332 10 0 CEAEHN Cc1cccc(C2CC(N[C@@H]3CCCS(=O)(=O)C3)C2)c1 ZINC000069141651 524336841 /nfs/dbraw/zinc/33/68/41/524336841.db2.gz QAXBYIVQTOCJSC-HWOWSKLDSA-N 0 3 293.432 2.408 10 0 CEAEHN C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2CN)C[C@@H]1C ZINC000068583036 524423353 /nfs/dbraw/zinc/42/33/53/524423353.db2.gz VHXHFCUCOPBEOL-OBJOEFQTSA-N 0 3 296.436 2.248 10 0 CEAEHN COc1ccccc1N(C)Cc1cccnc1C(=N)N ZINC000061658337 524525267 /nfs/dbraw/zinc/52/52/67/524525267.db2.gz KPCZWLMNTSTUEF-UHFFFAOYSA-N 0 3 270.336 2.011 10 0 CEAEHN Cc1cccc(N)c1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000049550955 524527768 /nfs/dbraw/zinc/52/77/68/524527768.db2.gz MWGRZPWLGJBIND-CYBMUJFWSA-N 0 3 277.412 2.283 10 0 CEAEHN C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2CN)C[C@@H]1C ZINC000068583040 524617961 /nfs/dbraw/zinc/61/79/61/524617961.db2.gz VHXHFCUCOPBEOL-MBNYWOFBSA-N 0 3 296.436 2.248 10 0 CEAEHN C[C@H]1CN(Cc2ccoc2CNC(C)(C)C)CCO1 ZINC000052382750 524640198 /nfs/dbraw/zinc/64/01/98/524640198.db2.gz WUBCIGVOSPCSOB-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cc(F)c(F)c(F)c2)CCCO1 ZINC000062711800 524664067 /nfs/dbraw/zinc/66/40/67/524664067.db2.gz XOHPQLSAPSVKMS-ZANVPECISA-N 0 3 288.313 2.215 10 0 CEAEHN C[C@H]1CN(c2nc(-c3ccccc3)c(CN)s2)CCO1 ZINC000054995765 524674170 /nfs/dbraw/zinc/67/41/70/524674170.db2.gz DIVGAHCQLMAKNF-NSHDSACASA-N 0 3 289.404 2.494 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc(Cl)cc1 ZINC000069132713 524697728 /nfs/dbraw/zinc/69/77/28/524697728.db2.gz QBQZMLZZJZKGOV-UWVGGRQHSA-N 0 3 252.745 2.162 10 0 CEAEHN C[C@H](Cc1ccco1)NC(=O)Nc1cccc(CN)c1 ZINC000049147542 524744380 /nfs/dbraw/zinc/74/43/80/524744380.db2.gz CZIYNBHNQTXXME-LLVKDONJSA-N 0 3 273.336 2.491 10 0 CEAEHN C[C@@H]([NH3+])[C@]([O-])(c1cc(F)ccc1F)C(F)(F)F ZINC000062784618 525024894 /nfs/dbraw/zinc/02/48/94/525024894.db2.gz DOWMMUVALXMRSD-ANLVUFKYSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@](N)(c1ccc(Br)cc1)c1cncnc1 ZINC000052887680 525149273 /nfs/dbraw/zinc/14/92/73/525149273.db2.gz RGXVOQNMRSPWQQ-LBPRGKRZSA-N 0 3 278.153 2.461 10 0 CEAEHN C[C@](O)(CNCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000061674858 525179620 /nfs/dbraw/zinc/17/96/20/525179620.db2.gz BXJSVXRIRYUETQ-KRWDZBQOSA-N 0 3 285.343 2.413 10 0 CEAEHN COc1ccc([C@@H](NC2CCCC2)C(N)=O)cc1C ZINC000050597196 525200625 /nfs/dbraw/zinc/20/06/25/525200625.db2.gz HCIKRMRMIWNFRB-CQSZACIVSA-N 0 3 262.353 2.062 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)c1ccsc1 ZINC000061366137 525264160 /nfs/dbraw/zinc/26/41/60/525264160.db2.gz TXCQZQFIEPIFOJ-RISCZKNCSA-N 0 3 274.389 2.495 10 0 CEAEHN Cc1cc(NC[C@H]2CCCCN2C)nc(Cl)n1 ZINC000052814878 525274442 /nfs/dbraw/zinc/27/44/42/525274442.db2.gz DVEUHCVCKKWDGH-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)c1ccsc1 ZINC000061366293 525286988 /nfs/dbraw/zinc/28/69/88/525286988.db2.gz TXCQZQFIEPIFOJ-BXUZGUMPSA-N 0 3 274.389 2.495 10 0 CEAEHN C[C@H](NCC(=O)Nc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000183093542 525308500 /nfs/dbraw/zinc/30/85/00/525308500.db2.gz ZSLTYKDPWCDRIL-TVQRCGJNSA-N 0 3 284.306 2.060 10 0 CEAEHN C[C@@H]1C[C@@H]1NCC(=O)Nc1ccc(Br)cc1 ZINC000052287716 525329530 /nfs/dbraw/zinc/32/95/30/525329530.db2.gz SVMXRQCHIPDCJI-KCJUWKMLSA-N 0 3 283.169 2.386 10 0 CEAEHN COc1ccc([C@H](NC2CCCCC2)C(N)=O)cc1C ZINC000050597201 525371692 /nfs/dbraw/zinc/37/16/92/525371692.db2.gz QFLFCSJYIRKCOY-HNNXBMFYSA-N 0 3 276.380 2.452 10 0 CEAEHN Cc1cc(O[C@H](C)C[C@@](C)(N)C(N)=O)ccc1C(C)C ZINC000068655760 525382167 /nfs/dbraw/zinc/38/21/67/525382167.db2.gz JGSLJRQPASBPGK-MLGOLLRUSA-N 0 3 278.396 2.479 10 0 CEAEHN C[C@@H](NC[C@H](C)C(N)=O)c1ccc(Br)cc1 ZINC000049525854 525490681 /nfs/dbraw/zinc/49/06/81/525490681.db2.gz BPCPXKPKJSLVIJ-DTWKUNHWSA-N 0 3 285.185 2.221 10 0 CEAEHN C[C@@H](NS(=O)(=O)C[C@H]1CCCCN1)C1CCCCC1 ZINC000052344024 525570602 /nfs/dbraw/zinc/57/06/02/525570602.db2.gz OQCRSHTYZFBINU-TZMCWYRMSA-N 0 3 288.457 2.017 10 0 CEAEHN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)C1CCN(C)CC1 ZINC000050509506 525593008 /nfs/dbraw/zinc/59/30/08/525593008.db2.gz SHGPUTGMIQCHLP-WFASDCNBSA-N 0 3 276.380 2.132 10 0 CEAEHN C[C@H](N[C@H](C(=O)[O-])c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000050509516 525594290 /nfs/dbraw/zinc/59/42/90/525594290.db2.gz AJFRDKVIGLPPMT-CFVMTHIKSA-N 0 3 276.380 2.132 10 0 CEAEHN C[C@H](N[C@H](C(=O)[O-])c1ccccc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000050509516 525594299 /nfs/dbraw/zinc/59/42/99/525594299.db2.gz AJFRDKVIGLPPMT-CFVMTHIKSA-N 0 3 276.380 2.132 10 0 CEAEHN C[C@@H]1[C@@H](C)CCCN1c1nc2ccccn2c1CN ZINC000050566080 525643788 /nfs/dbraw/zinc/64/37/88/525643788.db2.gz XIJPNBBPCJTDCE-NWDGAFQWSA-N 0 3 258.369 2.418 10 0 CEAEHN Cc1cc2ncn(-c3ccnc(C(=N)N)c3)c2cc1C ZINC000061814412 525682970 /nfs/dbraw/zinc/68/29/70/525682970.db2.gz PVCFPMDFVXMBHB-UHFFFAOYSA-N 0 3 265.320 2.321 10 0 CEAEHN Cc1cc2ncnn2c(N2CCNCc3ccccc32)c1 ZINC000062819184 525686382 /nfs/dbraw/zinc/68/63/82/525686382.db2.gz DFEHOKGUVNYNLC-UHFFFAOYSA-N 0 3 279.347 2.279 10 0 CEAEHN Cc1cc2ncn(Cc3cccnc3C(=N)N)c2cc1C ZINC000061658438 525686680 /nfs/dbraw/zinc/68/66/80/525686680.db2.gz SHCLMYWVTXHZAZ-UHFFFAOYSA-N 0 3 279.347 2.381 10 0 CEAEHN C[C@@](O)(COc1ccc2c(c1)OC[C@H]2N)c1ccccc1 ZINC000062803391 525779991 /nfs/dbraw/zinc/77/99/91/525779991.db2.gz HQCCGDWYAUVYBM-NVXWUHKLSA-N 0 3 285.343 2.365 10 0 CEAEHN Cc1c(N)cc(C(=O)N[C@H](CN(C)C)C(C)C)cc1F ZINC000049191978 525816857 /nfs/dbraw/zinc/81/68/57/525816857.db2.gz ACLIGUUQYINILB-CQSZACIVSA-N 0 3 281.375 2.032 10 0 CEAEHN C[C@@H](Oc1ccc(Cl)cc1CNC(C)(C)C)C(N)=O ZINC000062730781 525926325 /nfs/dbraw/zinc/92/63/25/525926325.db2.gz BGRGIIPZMGDIKA-SECBINFHSA-N 0 3 284.787 2.481 10 0 CEAEHN Cc1nnc(SCc2nc(NN)ccc2Cl)o1 ZINC000061639990 526387585 /nfs/dbraw/zinc/38/75/85/526387585.db2.gz JNWYQSUYLFTHQN-UHFFFAOYSA-N 0 3 271.733 2.004 10 0 CEAEHN c1cn(-c2ncccc2CNC2CC2)nc1C1CC1 ZINC000052885212 526527258 /nfs/dbraw/zinc/52/72/58/526527258.db2.gz ZFMASBBAMWTCAI-UHFFFAOYSA-N 0 3 254.337 2.397 10 0 CEAEHN c1ncn(Cc2oc3ccccc3c2CNC2CC2)n1 ZINC000052575211 526617723 /nfs/dbraw/zinc/61/77/23/526617723.db2.gz NQCIHOAALXRNBU-UHFFFAOYSA-N 0 3 268.320 2.325 10 0 CEAEHN Cc1nc(N(C)C[C@H]2CCCO2)sc1[C@@H](C)N ZINC000054897363 526950332 /nfs/dbraw/zinc/95/03/32/526950332.db2.gz GDNSNZQRVNNVFI-PSASIEDQSA-N 0 3 255.387 2.086 10 0 CEAEHN Cc1nc(N2CCOCC2(C)C)sc1[C@H](C)N ZINC000054898402 526970440 /nfs/dbraw/zinc/97/04/40/526970440.db2.gz SFPPSLXKTDHDKV-QMMMGPOBSA-N 0 3 255.387 2.086 10 0 CEAEHN NC(=O)c1ccccc1CNCCc1ccsc1 ZINC000049181555 527089771 /nfs/dbraw/zinc/08/97/71/527089771.db2.gz DKMRJBKSUBIWKP-UHFFFAOYSA-N 0 3 260.362 2.179 10 0 CEAEHN NC(=S)C[C@@H](c1ccccc1)N1CCSCC1 ZINC000055024553 527108396 /nfs/dbraw/zinc/10/83/96/527108396.db2.gz KAHJIFZLEPSRCZ-LBPRGKRZSA-N 0 3 266.435 2.453 10 0 CEAEHN NC(=S)c1ccc(Cl)cc1OCCN1CCCC1 ZINC000062788707 527119259 /nfs/dbraw/zinc/11/92/59/527119259.db2.gz WNXADOBIAYWWQS-UHFFFAOYSA-N 0 3 284.812 2.449 10 0 CEAEHN O=S(=O)(C[C@@H]1CCCCN1)Nc1ccccc1Cl ZINC000049630826 527181262 /nfs/dbraw/zinc/18/12/62/527181262.db2.gz IHRYUZMKKCIGAF-JTQLQIEISA-N 0 3 288.800 2.224 10 0 CEAEHN NC[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000061610674 527202386 /nfs/dbraw/zinc/20/23/86/527202386.db2.gz WIZMFXZKSUWBBV-OAHLLOKOSA-N 0 3 254.333 2.045 10 0 CEAEHN NC[C@@H](c1ccccc1)N(CCO)Cc1ccccc1 ZINC000050514003 527207907 /nfs/dbraw/zinc/20/79/07/527207907.db2.gz MOKWCORLJGXTTL-KRWDZBQOSA-N 0 3 270.376 2.181 10 0 CEAEHN NC[C@H](Cc1cc2ccccc2o1)C(=O)N1CCCC1 ZINC000068811104 527224889 /nfs/dbraw/zinc/22/48/89/527224889.db2.gz RDHRCOKJVREEHD-ZDUSSCGKSA-N 0 3 272.348 2.173 10 0 CEAEHN Cn1cc(C[C@H](N)c2nccc3ccccc32)cn1 ZINC000069313694 527232002 /nfs/dbraw/zinc/23/20/02/527232002.db2.gz JFQYVQQJDBJHJI-AWEZNQCLSA-N 0 3 252.321 2.211 10 0 CEAEHN NCc1cc(COc2cc(F)ccc2F)ccn1 ZINC000068751926 527247170 /nfs/dbraw/zinc/24/71/70/527247170.db2.gz NUPSNGHBFCGFCR-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN NCc1ccc(F)cc1CN1CCc2ccccc2C1=O ZINC000069402095 527254801 /nfs/dbraw/zinc/25/48/01/527254801.db2.gz ZFGZXJDKTIPVPR-UHFFFAOYSA-N 0 3 284.334 2.483 10 0 CEAEHN NCc1ccc(F)cc1CS(=O)(=O)Cc1ccccc1 ZINC000069403928 527254895 /nfs/dbraw/zinc/25/48/95/527254895.db2.gz JBXQDEPCSLJXIP-UHFFFAOYSA-N 0 3 293.363 2.399 10 0 CEAEHN NCc1ncccc1CN1CCC[C@H]1c1ccncc1 ZINC000061656608 527265296 /nfs/dbraw/zinc/26/52/96/527265296.db2.gz VEYUGZIEDRHDLU-INIZCTEOSA-N 0 3 268.364 2.272 10 0 CEAEHN NNc1ccc(Cl)c(CSc2ncccn2)n1 ZINC000061640117 527280173 /nfs/dbraw/zinc/28/01/73/527280173.db2.gz QRTNVIHSWXUYTA-UHFFFAOYSA-N 0 3 267.745 2.103 10 0 CEAEHN NNc1ccc(Cl)c(CN2C[C@H]3CC[C@@H]2C3)n1 ZINC000061631615 527280233 /nfs/dbraw/zinc/28/02/33/527280233.db2.gz LWABVHXOAHPPHO-DTWKUNHWSA-N 0 3 252.749 2.005 10 0 CEAEHN N[C@@H]1COc2cc(OCCOCC(F)(F)F)ccc21 ZINC000062803450 527376437 /nfs/dbraw/zinc/37/64/37/527376437.db2.gz ONFNBVCRXNRBGO-SNVBAGLBSA-N 0 3 277.242 2.037 10 0 CEAEHN N[C@H]1CCCc2nc(N3CCCSCC3)sc21 ZINC000054898652 527410425 /nfs/dbraw/zinc/41/04/25/527410425.db2.gz NDOCBXKHBSWSBM-VIFPVBQESA-N 0 3 269.439 2.423 10 0 CEAEHN C(c1nc(C2CCCC2)no1)N1CCN2CCC[C@@H]2C1 ZINC000178676877 527495282 /nfs/dbraw/zinc/49/52/82/527495282.db2.gz OFWFICLGXYUXBM-CYBMUJFWSA-N 0 3 276.384 2.007 10 0 CEAEHN Nc1nc2ccc(F)c(F)c2n1CC[C@@H]1CCCO1 ZINC000053170243 527560926 /nfs/dbraw/zinc/56/09/26/527560926.db2.gz ZKMYRPFZTBVTFY-QMMMGPOBSA-N 0 3 267.279 2.466 10 0 CEAEHN Cc1nn(C)c(N2CCOC(C)(C)C2)c1CNCC(C)C ZINC000062736253 527675818 /nfs/dbraw/zinc/67/58/18/527675818.db2.gz IXGQABHFDBWLAS-UHFFFAOYSA-N 0 3 294.443 2.089 10 0 CEAEHN CC(C)n1ncc2cc(CNCCOCC(F)F)cnc21 ZINC000190888343 535138317 /nfs/dbraw/zinc/13/83/17/535138317.db2.gz JXHRHOPATMNDJR-UHFFFAOYSA-N 0 3 298.337 2.384 10 0 CEAEHN C[C@H](O)[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757136016 574510102 /nfs/dbraw/zinc/51/01/02/574510102.db2.gz XYBHCVUAVYFMHS-QWRGUYRKSA-N 0 3 295.383 2.051 10 0 CEAEHN N[C@H]1C[C@H](C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc21 ZINC000675059434 570365396 /nfs/dbraw/zinc/36/53/96/570365396.db2.gz ILTJYJXTBFTPLV-IONNQARKSA-N 0 3 299.701 2.448 10 0 CEAEHN COc1ccc([C@H](C)NC2CSC2)cc1OC ZINC000396434677 628226309 /nfs/dbraw/zinc/22/63/09/628226309.db2.gz LJXBRWSNFPHQOX-VIFPVBQESA-N 0 3 253.367 2.470 10 0 CEAEHN CCCCCCNC(=O)N[C@H]1CCCN(CC)C1 ZINC000057790384 629347619 /nfs/dbraw/zinc/34/76/19/629347619.db2.gz RLZMNBKSMTYMQN-ZDUSSCGKSA-N 0 3 255.406 2.350 10 0 CEAEHN C[C@@H](NCC[S@](C)=O)c1ccc(Cl)s1 ZINC000133794363 652719685 /nfs/dbraw/zinc/71/96/85/652719685.db2.gz JYCVRWFDGZAVMN-NXSYQRQQSA-N 0 3 251.804 2.431 10 0 CEAEHN CN[C@H]1c2ccccc2CCC[C@@H]1S(=O)(=O)C(C)C ZINC000081980038 177910716 /nfs/dbraw/zinc/91/07/16/177910716.db2.gz QEXIWEILJWHRNW-GJZGRUSLSA-N 0 3 281.421 2.475 10 0 CEAEHN CCCc1nc(CS(C)(=O)=O)sc1CNC(C)C ZINC000082427887 178003414 /nfs/dbraw/zinc/00/34/14/178003414.db2.gz SLGZZLXRTNUAIT-UHFFFAOYSA-N 0 3 290.454 2.138 10 0 CEAEHN OC[C@@H]1CN(C[C@@H]2CCCC2(F)F)CCC1(F)F ZINC000336266710 365541905 /nfs/dbraw/zinc/54/19/05/365541905.db2.gz HKPGPKMQIJYIOC-UWVGGRQHSA-N 0 3 269.282 2.371 10 0 CEAEHN Cc1ocnc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000121579679 365588187 /nfs/dbraw/zinc/58/81/87/365588187.db2.gz IFMVKBIWPKJJKO-ZDUSSCGKSA-N 0 3 273.336 2.016 10 0 CEAEHN CN1c2ccc([C@@H](N)c3cccc(F)c3)cc2CC1=O ZINC000034940655 361798612 /nfs/dbraw/zinc/79/86/12/361798612.db2.gz LCLWRKFSZNPHMV-INIZCTEOSA-N 0 3 270.307 2.393 10 0 CEAEHN Cn1cc([C@@H](N)Cc2c(F)cccc2Cl)cn1 ZINC000034957611 361800487 /nfs/dbraw/zinc/80/04/87/361800487.db2.gz IWKTYQFZDKMZIT-LBPRGKRZSA-N 0 3 253.708 2.455 10 0 CEAEHN CC[C@@](C)(O)CN(C)Cc1ccccc1N1CCOCC1 ZINC000123294072 365637437 /nfs/dbraw/zinc/63/74/37/365637437.db2.gz FNQYDNKCRMUOLG-QGZVFWFLSA-N 0 3 292.423 2.116 10 0 CEAEHN C[C@@H](CN)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000082789850 178295088 /nfs/dbraw/zinc/29/50/88/178295088.db2.gz GTPCHJZGRQTHCE-LURJTMIESA-N 0 3 268.165 2.114 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000036872766 361866271 /nfs/dbraw/zinc/86/62/71/361866271.db2.gz PISLPRHBKDUXCS-VIFPVBQESA-N 0 3 286.759 2.423 10 0 CEAEHN CN(C)c1ccc(C(=O)Nc2cccc(CN)c2)cc1 ZINC000036906692 361870897 /nfs/dbraw/zinc/87/08/97/361870897.db2.gz MXYDZLXWZPTILR-UHFFFAOYSA-N 0 3 269.348 2.464 10 0 CEAEHN Cc1cc(N2CCN(C=O)CC2)c2cccc(C)c2n1 ZINC000037408006 361903471 /nfs/dbraw/zinc/90/34/71/361903471.db2.gz OMMNVEWDAYDNOD-UHFFFAOYSA-N 0 3 269.348 2.130 10 0 CEAEHN Cn1cnc([C@@H](N)Cc2ccccc2Br)c1 ZINC000096978556 185145477 /nfs/dbraw/zinc/14/54/77/185145477.db2.gz KXVFIUXGBRUACU-NSHDSACASA-N 0 3 280.169 2.425 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1nccnc1C ZINC000621718984 349676322 /nfs/dbraw/zinc/67/63/22/349676322.db2.gz YXZHBINTGBMVQZ-LSDHHAIUSA-N 0 3 274.412 2.234 10 0 CEAEHN C[C@H](O)CN(C)[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000725264117 539212459 /nfs/dbraw/zinc/21/24/59/539212459.db2.gz DBFUTZLCJMNTJC-RYUDHWBXSA-N 0 3 251.374 2.057 10 0 CEAEHN CC(C)n1ccnc1CN[C@@H]1CCCC[C@@H]1CO ZINC000124994181 539212515 /nfs/dbraw/zinc/21/25/15/539212515.db2.gz CIJUTSYOOMHNNG-CHWSQXEVSA-N 0 3 251.374 2.105 10 0 CEAEHN C[C@@H](c1cnn(CC2CCC2)c1)N1CCC[C@@H](CO)C1 ZINC000725264279 539212601 /nfs/dbraw/zinc/21/26/01/539212601.db2.gz GZHCVUONMPDRKC-DZGCQCFKSA-N 0 3 277.412 2.449 10 0 CEAEHN CCN(CCO)[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000725264482 539212921 /nfs/dbraw/zinc/21/29/21/539212921.db2.gz PZJFMFITDGIRHN-LBPRGKRZSA-N 0 3 251.374 2.058 10 0 CEAEHN C[C@H](C(=O)N1CCC2(CC1)CNC[C@H](C)O2)C(C)(C)C ZINC000725271322 539215245 /nfs/dbraw/zinc/21/52/45/539215245.db2.gz CFUPHRNMFADUSR-QWHCGFSZSA-N 0 3 282.428 2.038 10 0 CEAEHN Cc1nc(CC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c(C)s1 ZINC000126091450 187215858 /nfs/dbraw/zinc/21/58/58/187215858.db2.gz UJJOLZHSVIKEBP-IINYFYTJSA-N 0 3 295.452 2.147 10 0 CEAEHN CC[C@H](N)c1nc2cc(Br)cnc2[nH]1 ZINC000043460911 362145703 /nfs/dbraw/zinc/14/57/03/362145703.db2.gz NWHBCVBAHLWRHT-LURJTMIESA-N 0 3 255.119 2.130 10 0 CEAEHN CC[C@H]([NH3+])c1nc2cc(Br)cnc2[n-]1 ZINC000043460911 362145706 /nfs/dbraw/zinc/14/57/06/362145706.db2.gz NWHBCVBAHLWRHT-LURJTMIESA-N 0 3 255.119 2.130 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007652 343425021 /nfs/dbraw/zinc/42/50/21/343425021.db2.gz FDENTWSHIPLFMJ-PELKAZGASA-N 0 3 256.296 2.125 10 0 CEAEHN CCN(CC)c1ncc(CN[C@H]2CCC[C@H](O)C2)s1 ZINC000037321085 343426726 /nfs/dbraw/zinc/42/67/26/343426726.db2.gz FVTODKCMJLCJDD-RYUDHWBXSA-N 0 3 283.441 2.382 10 0 CEAEHN CCN1CCC[C@H](NCc2cccc(OC)c2F)C1 ZINC000192672407 539328209 /nfs/dbraw/zinc/32/82/09/539328209.db2.gz SUTVGHGRVUAOJW-ZDUSSCGKSA-N 0 3 266.360 2.408 10 0 CEAEHN COc1cc(C)c(CN2CC[C@@H](CCO)C2)cc1OC ZINC000128037867 187347469 /nfs/dbraw/zinc/34/74/69/187347469.db2.gz IETFAFXLEVEXKV-ZDUSSCGKSA-N 0 3 279.380 2.217 10 0 CEAEHN CCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)c1 ZINC000126972310 187273731 /nfs/dbraw/zinc/27/37/31/187273731.db2.gz KERKZXYEWOVCHW-FZMZJTMJSA-N 0 3 290.363 2.190 10 0 CEAEHN Cc1cscc1CNC[C@@H](O)COCc1ccco1 ZINC000094881073 344235412 /nfs/dbraw/zinc/23/54/12/344235412.db2.gz NXZHYFJSYKWWFZ-CYBMUJFWSA-N 0 3 281.377 2.317 10 0 CEAEHN COC(=O)C[C@@H](N)c1ccc(OC(F)(F)F)c(F)c1 ZINC000095638169 344237555 /nfs/dbraw/zinc/23/75/55/344237555.db2.gz YQALVSABRJFXRO-MRVPVSSYSA-N 0 3 281.205 2.287 10 0 CEAEHN CCCc1cc(N2CCNCC2)nc(C(C)(C)C)n1 ZINC000117033450 344287892 /nfs/dbraw/zinc/28/78/92/344287892.db2.gz BTAKRXXDPHBOAH-UHFFFAOYSA-N 0 3 262.401 2.136 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc3ncccc3c2)C1 ZINC000134437530 344374277 /nfs/dbraw/zinc/37/42/77/344374277.db2.gz BSDXNWQAPCHQGM-INIZCTEOSA-N 0 3 285.391 2.045 10 0 CEAEHN CCc1ccc(CNC[C@H]2CN(CC)CCO2)cc1 ZINC000134435487 344374397 /nfs/dbraw/zinc/37/43/97/344374397.db2.gz UYAPOANUMODGFM-INIZCTEOSA-N 0 3 262.397 2.059 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(OC)c(Cl)c2)C1 ZINC000135178977 344380062 /nfs/dbraw/zinc/38/00/62/344380062.db2.gz QYCREIKIQNSTTN-ZDUSSCGKSA-N 0 3 298.814 2.159 10 0 CEAEHN COC(=O)c1ccc(F)c(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000136153756 344384118 /nfs/dbraw/zinc/38/41/18/344384118.db2.gz HSWQKQBCNYVKHT-OAHLLOKOSA-N 0 3 294.326 2.083 10 0 CEAEHN C[C@H](NC(=O)NC[C@@H]1CCCN1C)c1cccs1 ZINC000139379284 344393388 /nfs/dbraw/zinc/39/33/88/344393388.db2.gz OFQBAGCVRHCJCB-QWRGUYRKSA-N 0 3 267.398 2.203 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCN2C)o1 ZINC000139395531 344393515 /nfs/dbraw/zinc/39/35/15/344393515.db2.gz OQYWSFDRPWFGCS-NEPJUHHUSA-N 0 3 265.357 2.042 10 0 CEAEHN CNCc1ccccc1[C@H](O)c1ccc(OC)cc1 ZINC000142740062 344404102 /nfs/dbraw/zinc/40/41/02/344404102.db2.gz IZLSFHWOHNIULG-MRXNPFEDSA-N 0 3 257.333 2.496 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)COc2cccc3ccccc32)C1 ZINC000170861774 344491695 /nfs/dbraw/zinc/49/16/95/344491695.db2.gz IVCFKNOEVUAHIE-OAHLLOKOSA-N 0 3 298.386 2.381 10 0 CEAEHN N[C@H](CO)c1cc(Br)c(Cl)s1 ZINC000227937488 344557520 /nfs/dbraw/zinc/55/75/20/344557520.db2.gz KZMHLOHKGSOCOG-SCSAIBSYSA-N 0 3 256.552 2.156 10 0 CEAEHN NCc1c(Br)cncc1OC(F)(F)F ZINC000238590136 344606890 /nfs/dbraw/zinc/60/68/90/344606890.db2.gz OELSPCYFZCMKHT-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN NC(=O)CCCNCc1cc(Cl)ccc1Cl ZINC000083697541 178697237 /nfs/dbraw/zinc/69/72/37/178697237.db2.gz JSONTPJMJAYYPG-UHFFFAOYSA-N 0 3 261.152 2.349 10 0 CEAEHN N[C@@H](CC1CCC1)c1ncncc1Br ZINC000307662307 344723958 /nfs/dbraw/zinc/72/39/58/344723958.db2.gz XNWIVKZUEORPBZ-VIFPVBQESA-N 0 3 256.147 2.429 10 0 CEAEHN Cc1ncccc1CN(C)C[C@H]1CCc2nccn2C1 ZINC000328645208 344757968 /nfs/dbraw/zinc/75/79/68/344757968.db2.gz SCRBGTAALXAKDK-CQSZACIVSA-N 0 3 270.380 2.281 10 0 CEAEHN N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCc1ccccc1 ZINC000386002613 344830878 /nfs/dbraw/zinc/83/08/78/344830878.db2.gz NWJHSJFDNQOKPS-KRWDZBQOSA-N 0 3 298.386 2.011 10 0 CEAEHN CC(C)(C)c1csc(CN2CC[C@H]3OCCN[C@@H]3C2)n1 ZINC000403985953 344878034 /nfs/dbraw/zinc/87/80/34/344878034.db2.gz CBNQILSRHSNGNC-VXGBXAGGSA-N 0 3 295.452 2.003 10 0 CEAEHN COCC[S@](=O)C[C@H](N)c1ccc2ccccc2c1 ZINC000084035261 178774662 /nfs/dbraw/zinc/77/46/62/178774662.db2.gz QOIHOCXERMBFSO-HNAYVOBHSA-N 0 3 277.389 2.235 10 0 CEAEHN COc1ccc([C@@H](O)[C@@H](C)N2CCCC2)cc1OC ZINC000584621119 344967227 /nfs/dbraw/zinc/96/72/27/344967227.db2.gz YPVVPFCGHPFNTN-ABAIWWIYSA-N 0 3 265.353 2.222 10 0 CEAEHN Cc1cc(-n2ncc3cc(Cl)nc(CO)c32)ccn1 ZINC000584620020 344967361 /nfs/dbraw/zinc/96/73/61/344967361.db2.gz ZAYCFBDPXJHGTG-UHFFFAOYSA-N 0 3 274.711 2.270 10 0 CEAEHN CCN(CC)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000054002677 362503245 /nfs/dbraw/zinc/50/32/45/362503245.db2.gz WVPJFOSCDVUOIY-AWEZNQCLSA-N 0 3 263.385 2.341 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000054074157 362508521 /nfs/dbraw/zinc/50/85/21/362508521.db2.gz LAUDPLPGXUGXFN-SECBINFHSA-N 0 3 261.325 2.498 10 0 CEAEHN CN[C@H](C)C(=O)N(C)Cc1cc(Br)cs1 ZINC000054075206 362510758 /nfs/dbraw/zinc/51/07/58/362510758.db2.gz AALVOEJRVKXJID-SSDOTTSWSA-N 0 3 291.214 2.077 10 0 CEAEHN O=C(CCN1CC[C@@H](CCO)C1)c1ccc(F)cc1 ZINC000128759675 365804576 /nfs/dbraw/zinc/80/45/76/365804576.db2.gz BMQPMTWHHNHIJQ-LBPRGKRZSA-N 0 3 265.328 2.103 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)[NH+]1CCCCCCC1)C(=O)[O-] ZINC000084296281 178848447 /nfs/dbraw/zinc/84/84/47/178848447.db2.gz YGINZJBOUJNCBV-HIFRSBDPSA-N 0 3 270.417 2.484 10 0 CEAEHN CN[C@](C)(C[C@H](C)Sc1ccccc1OC)C(N)=O ZINC000084351710 178863985 /nfs/dbraw/zinc/86/39/85/178863985.db2.gz QEXYULBJYUOIAO-IINYFYTJSA-N 0 3 282.409 2.029 10 0 CEAEHN CCCN[C@@H](c1cccnc1OC)[C@H]1CCOC1 ZINC000097182226 185557849 /nfs/dbraw/zinc/55/78/49/185557849.db2.gz FRJVPHDZJYEWMR-WCQYABFASA-N 0 3 250.342 2.167 10 0 CEAEHN CCNC(=O)NC(=O)CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000057879754 362599374 /nfs/dbraw/zinc/59/93/74/362599374.db2.gz WUGYQXKQCXSVBS-GFCCVEGCSA-N 0 3 291.395 2.306 10 0 CEAEHN CCc1cc(C[C@H](NC)c2cnc(C)cn2)n(CC)n1 ZINC000097279780 185578117 /nfs/dbraw/zinc/57/81/17/185578117.db2.gz MNRFMWFEUUZGKQ-AWEZNQCLSA-N 0 3 273.384 2.067 10 0 CEAEHN CCc1nnsc1[C@H](NC)[C@@H]1CCc2cccnc21 ZINC000097305176 185582473 /nfs/dbraw/zinc/58/24/73/185582473.db2.gz LRMNETOQZAFFGK-ZWNOBZJWSA-N 0 3 274.393 2.486 10 0 CEAEHN CC(C)CCn1cccc1CN1CCO[C@@H](CN(C)C)C1 ZINC000128257338 187359964 /nfs/dbraw/zinc/35/99/64/187359964.db2.gz SHTJUPLAXAFAMW-KRWDZBQOSA-N 0 3 293.455 2.297 10 0 CEAEHN Clc1cc(NC2=NCCN2)ccc1Br ZINC000232195054 539494874 /nfs/dbraw/zinc/49/48/74/539494874.db2.gz QWDBFYOGIFROJN-UHFFFAOYSA-N 0 3 274.549 2.474 10 0 CEAEHN CCN[C@@H](Cc1ccn(C)n1)c1snnc1C(C)(C)C ZINC000097353696 185588237 /nfs/dbraw/zinc/58/82/37/185588237.db2.gz ICSOQHKNOQBWOC-NSHDSACASA-N 0 3 293.440 2.462 10 0 CEAEHN Cc1nc(C[C@H]2CCCN(CCOCC3CC3)C2)no1 ZINC000172771258 232273091 /nfs/dbraw/zinc/27/30/91/232273091.db2.gz GBGZQPSGYRUOGF-CQSZACIVSA-N 0 3 279.384 2.059 10 0 CEAEHN Cn1cc([C@H]2CCCN2C[C@@](C)(O)c2ccccc2)cn1 ZINC000173654736 232281017 /nfs/dbraw/zinc/28/10/17/232281017.db2.gz SEDGXKLXADLYML-IAGOWNOFSA-N 0 3 285.391 2.465 10 0 CEAEHN Cc1nc(C)c(C(=O)N[C@@H](CN(C)C)c2ccccc2)o1 ZINC000173722949 232282187 /nfs/dbraw/zinc/28/21/87/232282187.db2.gz MDFHHLSQDPCOIH-AWEZNQCLSA-N 0 3 287.363 2.324 10 0 CEAEHN CC(C)([C@H](NN)[C@@H]1CCCc2cccnc21)N1CCCC1 ZINC000097581426 185630076 /nfs/dbraw/zinc/63/00/76/185630076.db2.gz ZIJVYBYOFYPSDY-GDBMZVCRSA-N 0 3 288.439 2.208 10 0 CEAEHN Cc1cccc(OC[C@@](N)(CO)c2ccccc2)c1 ZINC000085284892 179002595 /nfs/dbraw/zinc/00/25/95/179002595.db2.gz DFKYSQSSNXOGMV-INIZCTEOSA-N 0 3 257.333 2.220 10 0 CEAEHN CN[C@@](CO)(COC1CCCCC1)c1ccccc1 ZINC000085282679 179000393 /nfs/dbraw/zinc/00/03/93/179000393.db2.gz SKQUUUSMFDGQAK-INIZCTEOSA-N 0 3 263.381 2.443 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000247458042 539538352 /nfs/dbraw/zinc/53/83/52/539538352.db2.gz UDQNDGYDISEXSJ-WCQYABFASA-N 0 3 292.427 2.166 10 0 CEAEHN CN1CCC[C@H](n2c3c(nc2C2CCCC2)CNCC3)C1 ZINC000085606873 179100021 /nfs/dbraw/zinc/10/00/21/179100021.db2.gz BLEPIFPDBLKDDM-AWEZNQCLSA-N 0 3 288.439 2.453 10 0 CEAEHN Cc1cc(CN[C@H]2[C@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000085675882 179112562 /nfs/dbraw/zinc/11/25/62/179112562.db2.gz XGQBBUNTDLPQQU-AGIUHOORSA-N 0 3 250.342 2.276 10 0 CEAEHN COc1ccc(F)cc1CN[C@H]1CCCC[C@@H]1CO ZINC000336818299 365863143 /nfs/dbraw/zinc/86/31/43/365863143.db2.gz UXQPPOMCALXJGZ-RISCZKNCSA-N 0 3 267.344 2.475 10 0 CEAEHN CN(C)CCNC(=O)c1ccnc(-c2ccsc2)c1 ZINC000064676055 362792871 /nfs/dbraw/zinc/79/28/71/362792871.db2.gz JCVWDLSGTFYDSB-UHFFFAOYSA-N 0 3 275.377 2.102 10 0 CEAEHN Nc1ccc(Cl)c(SC[C@@H]2CNCCO2)c1 ZINC000085929860 179202949 /nfs/dbraw/zinc/20/29/49/179202949.db2.gz DFNVDLIBYKFLIJ-VIFPVBQESA-N 0 3 258.774 2.003 10 0 CEAEHN Cc1ccc(NC(=O)CNC[C@H]2CCCC[C@H]2O)cc1 ZINC000085986647 179212385 /nfs/dbraw/zinc/21/23/85/179212385.db2.gz SDNPEKRRBDMOFV-UKRRQHHQSA-N 0 3 276.380 2.074 10 0 CEAEHN C[C@H]1[C@H](NCc2nnnn2-c2ccccc2)CC[C@@H]1C ZINC000086076821 179225722 /nfs/dbraw/zinc/22/57/22/179225722.db2.gz NNKBBAHLYXNTSX-OUCADQQQSA-N 0 3 271.368 2.187 10 0 CEAEHN C[C@@H]1[C@@H](C)CC[C@@H]1NCc1nc2ccccc2c(=O)[nH]1 ZINC000086075548 179225917 /nfs/dbraw/zinc/22/59/17/179225917.db2.gz VVBCGMGKFMFOPL-LOWVWBTDSA-N 0 3 271.364 2.447 10 0 CEAEHN CN[C@@H](c1cc(C)sc1C)[C@H]1CCS(=O)(=O)C1 ZINC000086020637 179217995 /nfs/dbraw/zinc/21/79/95/179217995.db2.gz VQKSHAPJVRXGKB-CMPLNLGQSA-N 0 3 273.423 2.060 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000086021997 179219052 /nfs/dbraw/zinc/21/90/52/179219052.db2.gz DTILVXLOEVITHJ-SWLSCSKDSA-N 0 3 297.420 2.089 10 0 CEAEHN CC(C)[C@@H](CO)[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000086122432 179235771 /nfs/dbraw/zinc/23/57/71/179235771.db2.gz KEYTVNCVYZJHGI-LLVKDONJSA-N 0 3 288.185 2.261 10 0 CEAEHN C[C@H]([C@@H]1CCCO1)N1CCN[C@H](c2ccccc2)C1 ZINC000086127808 179235962 /nfs/dbraw/zinc/23/59/62/179235962.db2.gz JCFYLTIBBDXRPN-KBMXLJTQSA-N 0 3 260.381 2.200 10 0 CEAEHN c1nc(CCN2CCN[C@H](c3ccccc3)C2)cs1 ZINC000086149474 179240225 /nfs/dbraw/zinc/24/02/25/179240225.db2.gz KQAVOBRTODZVLN-HNNXBMFYSA-N 0 3 273.405 2.332 10 0 CEAEHN CSCCCN1CCN[C@@H](c2ccccc2)C1 ZINC000086149809 179240591 /nfs/dbraw/zinc/24/05/91/179240591.db2.gz ZONWLKFRIXOFNH-CQSZACIVSA-N 0 3 250.411 2.386 10 0 CEAEHN CCC[C@H](COC)N1CCN[C@H](c2ccccc2)C1 ZINC000086150392 179240940 /nfs/dbraw/zinc/24/09/40/179240940.db2.gz SDWOVYBHWKKBES-CVEARBPZSA-N 0 3 262.397 2.448 10 0 CEAEHN CCn1cc(N2CCNC[C@H]2c2ccccc2)cn1 ZINC000086177089 179247126 /nfs/dbraw/zinc/24/71/26/179247126.db2.gz VBSYDDFCYPTLFL-HNNXBMFYSA-N 0 3 256.353 2.054 10 0 CEAEHN CCN1CCC[C@H](NCc2cnc(C(C)(C)C)nc2)C1 ZINC000336829956 365893887 /nfs/dbraw/zinc/89/38/87/365893887.db2.gz JNDMKLGGEYJMCF-AWEZNQCLSA-N 0 3 276.428 2.348 10 0 CEAEHN CN(C)[C@H]1CCN(c2nc(Br)cs2)C1 ZINC000086291152 179265392 /nfs/dbraw/zinc/26/53/92/179265392.db2.gz SFRHQPRNROKQGB-ZETCQYMHSA-N 0 3 276.203 2.046 10 0 CEAEHN CC[C@@H]1CN[C@H](c2ccccc2)CN1Cc1nc(C)no1 ZINC000086260309 179259103 /nfs/dbraw/zinc/25/91/03/179259103.db2.gz QGZIUOMFSOKVES-CABCVRRESA-N 0 3 286.379 2.303 10 0 CEAEHN c1ncn(C[C@@H]2CCCN(Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000128626536 187380870 /nfs/dbraw/zinc/38/08/70/187380870.db2.gz CPOUDJAZSDNFOC-CQSZACIVSA-N 0 3 296.378 2.067 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)CCOc1ccccc1 ZINC000086446323 179294564 /nfs/dbraw/zinc/29/45/64/179294564.db2.gz YJUIPIYPBNZQAS-LSDHHAIUSA-N 0 3 290.407 2.445 10 0 CEAEHN CN(CCN1CCCC1)c1nc2c(s1)CCC[C@@H]2O ZINC000086444793 179295002 /nfs/dbraw/zinc/29/50/02/179295002.db2.gz CJGCFDPGVZBOGM-NSHDSACASA-N 0 3 281.425 2.045 10 0 CEAEHN NC[C@@H](O)c1nc2ccc(Br)cc2s1 ZINC000086479118 179300267 /nfs/dbraw/zinc/30/02/67/179300267.db2.gz UVXWRWIHBZPQIC-SSDOTTSWSA-N 0 3 273.155 2.051 10 0 CEAEHN NC[C@H](O)c1nc2ccc(Br)cc2s1 ZINC000086479120 179300646 /nfs/dbraw/zinc/30/06/46/179300646.db2.gz UVXWRWIHBZPQIC-ZETCQYMHSA-N 0 3 273.155 2.051 10 0 CEAEHN C[C@]1(C(=O)N2CCC3(CCC3)CC2)CCCCN1 ZINC000308697252 539577819 /nfs/dbraw/zinc/57/78/19/539577819.db2.gz NOIMSILYHLDQRU-CQSZACIVSA-N 0 3 250.386 2.311 10 0 CEAEHN CNCC1(S(C)(=O)=O)CC2(C1)CCCCCC2 ZINC000086543536 179307438 /nfs/dbraw/zinc/30/74/38/179307438.db2.gz HOHASUXDTNQGBQ-UHFFFAOYSA-N 0 3 259.415 2.124 10 0 CEAEHN Cc1nc(Sc2ccnc(C(=N)N)c2)nc(C)c1C ZINC000086643823 179315747 /nfs/dbraw/zinc/31/57/47/179315747.db2.gz SVHWXPWLOWZXOR-UHFFFAOYSA-N 0 3 273.365 2.232 10 0 CEAEHN COCCNC[C@@H](C)Sc1nc(C)c(C)c(C)n1 ZINC000086645410 179316809 /nfs/dbraw/zinc/31/68/09/179316809.db2.gz JFAXLTPFOBBUOS-SECBINFHSA-N 0 3 269.414 2.118 10 0 CEAEHN O[C@@H](c1ccc2c(c1)OCCO2)[C@H]1NCc2ccccc21 ZINC000086667109 179317231 /nfs/dbraw/zinc/31/72/31/179317231.db2.gz QFLNJKZMYGYQSO-IRXDYDNUSA-N 0 3 283.327 2.336 10 0 CEAEHN C[C@H](Cc1cccs1)N[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086673114 179318136 /nfs/dbraw/zinc/31/81/36/179318136.db2.gz BOIIJPFJPGXUOR-RTXFEEFZSA-N 0 3 287.450 2.234 10 0 CEAEHN Cc1nc2ccc(N[C@H]3CCC[C@H]3S(C)(=O)=O)cc2[nH]1 ZINC000086674538 179318728 /nfs/dbraw/zinc/31/87/28/179318728.db2.gz HNHSHKQSVQILDQ-GXTWGEPZSA-N 0 3 293.392 2.249 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@@H]1NCCCOc1ccccc1 ZINC000086675868 179319077 /nfs/dbraw/zinc/31/90/77/179319077.db2.gz GTNNCZWWAUQQSS-LSDHHAIUSA-N 0 3 297.420 2.011 10 0 CEAEHN C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086675995 179319343 /nfs/dbraw/zinc/31/93/43/179319343.db2.gz PHLDTZGYUQSLHU-DFBGVHRSSA-N 0 3 299.411 2.312 10 0 CEAEHN CCc1ccccc1CN[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676224 179319400 /nfs/dbraw/zinc/31/94/00/179319400.db2.gz NTJNAAHCNUFIOT-GJZGRUSLSA-N 0 3 281.421 2.304 10 0 CEAEHN CCOC(=O)[C@]1(NCc2cccs2)CCCN(C)CC1 ZINC000086833379 179350602 /nfs/dbraw/zinc/35/06/02/179350602.db2.gz GTYKPTQDWPJEFP-HNNXBMFYSA-N 0 3 296.436 2.255 10 0 CEAEHN CCC[C@@](C)([NH2+][C@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086868659 179362095 /nfs/dbraw/zinc/36/20/95/179362095.db2.gz HVNZCNGIEKGVJX-DZGCQCFKSA-N 0 3 270.417 2.482 10 0 CEAEHN CCN1CCC[C@](O)(c2ccc(OC)cc2OC)CC1 ZINC000086852272 179358972 /nfs/dbraw/zinc/35/89/72/179358972.db2.gz LTRHSTZCXHAOKO-MRXNPFEDSA-N 0 3 279.380 2.397 10 0 CEAEHN N[C@@]1(c2nc3c(s2)CCCC3)CCCOCC1 ZINC000086876919 179365342 /nfs/dbraw/zinc/36/53/42/179365342.db2.gz ZKUOJGDKJUONBQ-ZDUSSCGKSA-N 0 3 252.383 2.376 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(C)C)CCC[C@@H](C)CC1 ZINC000086891994 179365952 /nfs/dbraw/zinc/36/59/52/179365952.db2.gz OXTPMPFXSZNCHB-UKRRQHHQSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(C)C)CCC[C@@H](C)CC1 ZINC000086891993 179366465 /nfs/dbraw/zinc/36/64/65/179366465.db2.gz OXTPMPFXSZNCHB-HIFRSBDPSA-N 0 3 270.417 2.040 10 0 CEAEHN COC(=O)[C@]1(NCCN(C)C)CCC[C@@H](C(C)C)CC1 ZINC000086949897 179369103 /nfs/dbraw/zinc/36/91/03/179369103.db2.gz WXDMLHAHNZGGRH-ZBFHGGJFSA-N 0 3 284.444 2.286 10 0 CEAEHN OC1(CNCc2cc3c(c(Cl)c2)OCO3)CCCC1 ZINC000087016385 179380323 /nfs/dbraw/zinc/38/03/23/179380323.db2.gz VGSQEHYYAJNBKJ-UHFFFAOYSA-N 0 3 283.755 2.463 10 0 CEAEHN CCCN1C(=O)CC[C@@H](N)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086995162 179375936 /nfs/dbraw/zinc/37/59/36/179375936.db2.gz RZPUSZKNRLRIDG-DOMZBBRYSA-N 0 3 280.343 2.235 10 0 CEAEHN c1cc2c(cc1[C@@H]1CNCC3(CCCC3)O1)OCCO2 ZINC000087007868 179378571 /nfs/dbraw/zinc/37/85/71/179378571.db2.gz BWUYKSSMAZJVSJ-HNNXBMFYSA-N 0 3 275.348 2.432 10 0 CEAEHN CCC1CCC(O)(CNCc2c(C)nn(C)c2C)CC1 ZINC000087052882 179388945 /nfs/dbraw/zinc/38/89/45/179388945.db2.gz FVSLJAMHAOHEGF-UHFFFAOYSA-N 0 3 279.428 2.458 10 0 CEAEHN COc1ccc(C[C@]2(C)CNCC(C)(C)O2)cc1OC ZINC000087090398 179394362 /nfs/dbraw/zinc/39/43/62/179394362.db2.gz LZSKLHLJMAINRX-MRXNPFEDSA-N 0 3 279.380 2.403 10 0 CEAEHN N[C@H](CC(=O)NCC1(O)CCCCCC1)c1ccccc1 ZINC000087089792 179393828 /nfs/dbraw/zinc/39/38/28/179393828.db2.gz VXEWZKQQIRZXSB-OAHLLOKOSA-N 0 3 290.407 2.278 10 0 CEAEHN CC[C@H]1CNC[C@H](c2cc(OC)ccc2OC)O1 ZINC000087090349 179394097 /nfs/dbraw/zinc/39/40/97/179394097.db2.gz ZUGQZOAYRPUSMD-IINYFYTJSA-N 0 3 251.326 2.143 10 0 CEAEHN C[C@@H](O)[C@H](C)Oc1ccc(Br)cc1CN ZINC000087125350 179395878 /nfs/dbraw/zinc/39/58/78/179395878.db2.gz CEUGAWHHDFALBX-SFYZADRCSA-N 0 3 274.158 2.056 10 0 CEAEHN CCN[C@@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000087549867 179444344 /nfs/dbraw/zinc/44/43/44/179444344.db2.gz ZOXQQKFVHDJQCX-JTQLQIEISA-N 0 3 276.258 2.111 10 0 CEAEHN CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CNCCN2)c1 ZINC000616630169 348540334 /nfs/dbraw/zinc/54/03/34/348540334.db2.gz MIHRUZDQCWCXOP-CQSZACIVSA-N 0 3 291.395 2.292 10 0 CEAEHN CC(C)(C)N1CCN[C@H](c2cc3ccccc3nn2)C1 ZINC000616634740 348542358 /nfs/dbraw/zinc/54/23/58/348542358.db2.gz WHQRBCMYPNDGCN-HNNXBMFYSA-N 0 3 270.380 2.375 10 0 CEAEHN CC(=O)Nc1ccccc1[C@@H]1COCCN(C(C)C)C1 ZINC000616660069 348552018 /nfs/dbraw/zinc/55/20/18/348552018.db2.gz KONRWKSNYOECSX-AWEZNQCLSA-N 0 3 276.380 2.469 10 0 CEAEHN CC(C)N1CCCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616648810 348547281 /nfs/dbraw/zinc/54/72/81/348547281.db2.gz CWPNPIQYVRJIOM-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN c1nnoc1[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000616651674 348548648 /nfs/dbraw/zinc/54/86/48/348548648.db2.gz DUAMKCLTUJHCSD-AWEZNQCLSA-N 0 3 259.309 2.033 10 0 CEAEHN CN[C@@H](c1cccc(OC(F)(F)F)c1)[C@@H]1COCCO1 ZINC000087857579 179502522 /nfs/dbraw/zinc/50/25/22/179502522.db2.gz GLZCDBHTQOJNJF-RYUDHWBXSA-N 0 3 291.269 2.261 10 0 CEAEHN C[C@H]1CC=CC[C@H]1COc1nc(NN)ncc1Cl ZINC000087876838 179507569 /nfs/dbraw/zinc/50/75/69/179507569.db2.gz DDFHUJOHVFXDMY-IUCAKERBSA-N 0 3 268.748 2.397 10 0 CEAEHN CCN1CCCO[C@H](c2ccccc2NC(C)=O)C1 ZINC000616598633 348530053 /nfs/dbraw/zinc/53/00/53/348530053.db2.gz OJPOFCGVFZIBOG-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN OCc1ccccc1[C@H]1CN(Cc2ccccc2)CCN1 ZINC000616602357 348531235 /nfs/dbraw/zinc/53/12/35/348531235.db2.gz ZYBKPLPUZDHKLJ-GOSISDBHSA-N 0 3 282.387 2.325 10 0 CEAEHN CC(C)(C)N1CCN[C@H](c2cccc3nnccc32)C1 ZINC000616603842 348532153 /nfs/dbraw/zinc/53/21/53/348532153.db2.gz RBWNXWPOEGNJEN-HNNXBMFYSA-N 0 3 270.380 2.375 10 0 CEAEHN Nc1ccn([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000616610005 348533592 /nfs/dbraw/zinc/53/35/92/348533592.db2.gz DSBJCBZYZBXSPP-AWEZNQCLSA-N 0 3 256.353 2.133 10 0 CEAEHN CC(=O)Nc1ccccc1[C@H]1CCCCN1CCO ZINC000616625289 348538465 /nfs/dbraw/zinc/53/84/65/348538465.db2.gz JFEXNTLHJAGUPR-OAHLLOKOSA-N 0 3 262.353 2.164 10 0 CEAEHN CCN1CCOC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616661205 348552895 /nfs/dbraw/zinc/55/28/95/348552895.db2.gz LTXFJUYPZNZYOO-AWEZNQCLSA-N 0 3 257.337 2.066 10 0 CEAEHN CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc([O-])c(F)c1 ZINC000088289859 179575768 /nfs/dbraw/zinc/57/57/68/179575768.db2.gz JGMCLYJDSMYJRV-SNVBAGLBSA-N 0 3 268.332 2.481 10 0 CEAEHN C[C@H]1C[C@H](O)CN(CCOc2ccc(Cl)cc2)C1 ZINC000401698149 233184257 /nfs/dbraw/zinc/18/42/57/233184257.db2.gz LIUMYJAIUKEQTF-AAEUAGOBSA-N 0 3 269.772 2.422 10 0 CEAEHN CCn1nc(C)cc1C[C@@H](NC)c1cccc(C)n1 ZINC000089194668 179750633 /nfs/dbraw/zinc/75/06/33/179750633.db2.gz AEZXIFCOAZKVID-OAHLLOKOSA-N 0 3 258.369 2.418 10 0 CEAEHN COc1ccccc1NC(=O)CNC[C@](C)(O)CC(C)C ZINC000090272397 179944651 /nfs/dbraw/zinc/94/46/51/179944651.db2.gz AOYSWOLWMRCYPO-MRXNPFEDSA-N 0 3 294.395 2.020 10 0 CEAEHN CC(C)(C)c1ccc(CN[C@H]2CCOC[C@H]2O)cc1 ZINC000623765961 350106663 /nfs/dbraw/zinc/10/66/63/350106663.db2.gz ZUKLCQDCLPBHIT-LSDHHAIUSA-N 0 3 263.381 2.224 10 0 CEAEHN CC(C)(C)n1c2ccccc2nc1[C@@]1(C)COC[C@@H]1N ZINC000090571672 180007830 /nfs/dbraw/zinc/00/78/30/180007830.db2.gz QDSYTZKJJUIBQN-BBRMVZONSA-N 0 3 273.380 2.407 10 0 CEAEHN C[C@@]1(c2nc3ccc(F)cc3n2C2CC2)COC[C@H]1N ZINC000090571867 180007914 /nfs/dbraw/zinc/00/79/14/180007914.db2.gz MQFSCXQKVHNZPB-UKRRQHHQSA-N 0 3 275.327 2.126 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc3ccccc3c2)COC[C@@H]1N ZINC000090585798 180009289 /nfs/dbraw/zinc/00/92/89/180009289.db2.gz FAGHZMHRZGHYHB-HOCLYGCPSA-N 0 3 270.332 2.142 10 0 CEAEHN NC(=O)c1ccc(F)c(CNC[C@@H]2Cc3ccccc32)c1 ZINC000090992881 180082070 /nfs/dbraw/zinc/08/20/70/180082070.db2.gz JNXPNDGVLYUROG-ZDUSSCGKSA-N 0 3 284.334 2.354 10 0 CEAEHN CC(C)N1CCO[C@H](Cn2cc(CO)c3ccccc32)C1 ZINC000091006558 180084765 /nfs/dbraw/zinc/08/47/65/180084765.db2.gz FOQMFYDPUXFMSQ-HNNXBMFYSA-N 0 3 288.391 2.243 10 0 CEAEHN CCCn1ccc(CN[C@@H](CC(C)C)C(=O)N(C)C)c1 ZINC000091010319 180086327 /nfs/dbraw/zinc/08/63/27/180086327.db2.gz VJDBGBOROGCELT-HNNXBMFYSA-N 0 3 279.428 2.491 10 0 CEAEHN Cc1c([C@H](C)NCc2c[nH]c3ncccc23)cnn1C ZINC000091016941 180086778 /nfs/dbraw/zinc/08/67/78/180086778.db2.gz DBUHUTRSFOGTMJ-JTQLQIEISA-N 0 3 269.352 2.456 10 0 CEAEHN c1ccc2c(c1)C[C@H]2c1noc(C[C@@H]2CSCCN2)n1 ZINC000091129160 180100895 /nfs/dbraw/zinc/10/08/95/180100895.db2.gz LKGQHZNBSKPSMO-DGCLKSJQSA-N 0 3 287.388 2.005 10 0 CEAEHN c1nnc(C[C@H]2CSCCN2)n1C1CCCCC1 ZINC000091129588 180101290 /nfs/dbraw/zinc/10/12/90/180101290.db2.gz ZHDVKSNZYJCVFY-NSHDSACASA-N 0 3 266.414 2.031 10 0 CEAEHN C[C@H](NC(=O)C[C@@H]1CSCCN1)c1cccc(F)c1 ZINC000091138101 180105437 /nfs/dbraw/zinc/10/54/37/180105437.db2.gz ZXTNPSVTVDGOSY-GXFFZTMASA-N 0 3 282.384 2.098 10 0 CEAEHN CC(C)n1cncc1[C@@H](O)[C@@H]1NCCc2ccccc21 ZINC000091273574 180117864 /nfs/dbraw/zinc/11/78/64/180117864.db2.gz XLGPPWHVCDGASN-HZPDHXFCSA-N 0 3 271.364 2.384 10 0 CEAEHN CC[C@@H]1CC[C@H](NC(=O)C[C@@H]2CSCCN2)[C@@H]1C ZINC000091291704 180122968 /nfs/dbraw/zinc/12/29/68/180122968.db2.gz VGKJEJAKUARDPD-LPWJVIDDSA-N 0 3 270.442 2.022 10 0 CEAEHN CCn1c(C[C@H]2CNCCO2)nc2cc(Cl)ccc21 ZINC000091293224 180124107 /nfs/dbraw/zinc/12/41/07/180124107.db2.gz VILSALPEYGCDIG-NSHDSACASA-N 0 3 279.771 2.241 10 0 CEAEHN CCNc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000091430421 180153078 /nfs/dbraw/zinc/15/30/78/180153078.db2.gz RSSUUALAVCZABI-HNNXBMFYSA-N 0 3 275.396 2.285 10 0 CEAEHN COCCNC[C@@H](O)Cc1cc(Cl)ccc1Cl ZINC000091467883 180164511 /nfs/dbraw/zinc/16/45/11/180164511.db2.gz CARIWXALULUWOR-NSHDSACASA-N 0 3 278.179 2.133 10 0 CEAEHN CCCCOCCN1CCC(SC)(C(N)=S)CC1 ZINC000091478143 180165855 /nfs/dbraw/zinc/16/58/55/180165855.db2.gz CWGYIVFWGSLOJC-UHFFFAOYSA-N 0 3 290.498 2.287 10 0 CEAEHN Cc1ncccc1NC(=O)C[C@H](N)c1ccccc1 ZINC000091497079 180172757 /nfs/dbraw/zinc/17/27/57/180172757.db2.gz TXWSDVLLSWLNGP-ZDUSSCGKSA-N 0 3 255.321 2.419 10 0 CEAEHN CN(C)[C@H]1CCCN(C(=O)c2ccc(N)c(Cl)c2)C1 ZINC000091392638 180145066 /nfs/dbraw/zinc/14/50/66/180145066.db2.gz INRZMYZYDDQPHK-NSHDSACASA-N 0 3 281.787 2.088 10 0 CEAEHN CCN(c1cncc(CNCC(C)C)n1)[C@H](C)COC ZINC000091419850 180150573 /nfs/dbraw/zinc/15/05/73/180150573.db2.gz HFDXDZCQXAEHCZ-CYBMUJFWSA-N 0 3 280.416 2.083 10 0 CEAEHN CC[C@H](C)CN(C)c1cncc(CNC(C)C)n1 ZINC000091419199 180150911 /nfs/dbraw/zinc/15/09/11/180150911.db2.gz SSJHFCIBCLFFBQ-LBPRGKRZSA-N 0 3 250.390 2.457 10 0 CEAEHN CCCNCc1cncc(-n2nc(C)c(C)c2C)n1 ZINC000091422439 180151313 /nfs/dbraw/zinc/15/13/13/180151313.db2.gz QAJCJWIAQXXYCD-UHFFFAOYSA-N 0 3 259.357 2.087 10 0 CEAEHN CN[C@@H](c1cccnc1N)C(C)(C)N1CCCCC1 ZINC000091565009 180193175 /nfs/dbraw/zinc/19/31/75/180193175.db2.gz UVTXWOSDIBJBIV-ZDUSSCGKSA-N 0 3 262.401 2.189 10 0 CEAEHN Cc1ccc([C@H](N)C(C)(C)N2CCOCC2)c(C)c1 ZINC000091566062 180194076 /nfs/dbraw/zinc/19/40/76/180194076.db2.gz QKKZUABTZYTIBE-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN CCc1ccc([C@@H](N)C(C)(C)N2CCOCC2)cc1 ZINC000091566338 180194227 /nfs/dbraw/zinc/19/42/27/180194227.db2.gz PRCJRYPCEQENRV-OAHLLOKOSA-N 0 3 262.397 2.360 10 0 CEAEHN CC(C)(C(=O)Cc1ccnc(N)c1)N1CCCCCC1 ZINC000091567271 180195106 /nfs/dbraw/zinc/19/51/06/180195106.db2.gz DHUBPKWJEZAXNF-UHFFFAOYSA-N 0 3 275.396 2.430 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cc(OC)ccc1OC)N(C)C ZINC000091570146 180195290 /nfs/dbraw/zinc/19/52/90/180195290.db2.gz OVVOSJKSQAUCKS-GJZGRUSLSA-N 0 3 266.385 2.434 10 0 CEAEHN CC[C@](C)([C@@H](NC)c1nccn1C)N1CCCCC1 ZINC000091609732 180205262 /nfs/dbraw/zinc/20/52/62/180205262.db2.gz YPDINPWNAJWOHS-DZGCQCFKSA-N 0 3 264.417 2.335 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cccs1)N1CCOCC1 ZINC000091612181 180207014 /nfs/dbraw/zinc/20/70/14/180207014.db2.gz TUNOHQVMVMJZHB-OLZOCXBDSA-N 0 3 254.399 2.249 10 0 CEAEHN CCN[C@@H](c1nccn1CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612980 180207225 /nfs/dbraw/zinc/20/72/25/180207225.db2.gz CADGIYSTFQBFMH-GOEBONIOSA-N 0 3 294.443 2.055 10 0 CEAEHN CCn1nccc1[C@H](NC)C(C)(C)N1CCCC1 ZINC000091534374 180181644 /nfs/dbraw/zinc/18/16/44/180181644.db2.gz BEODGRFRMRTKBU-ZDUSSCGKSA-N 0 3 250.390 2.038 10 0 CEAEHN CCN(CC)C1(C(=O)Cc2ccnc(N)c2)CCCC1 ZINC000091638557 180212368 /nfs/dbraw/zinc/21/23/68/180212368.db2.gz HWCLQJZBBOGKCE-UHFFFAOYSA-N 0 3 275.396 2.430 10 0 CEAEHN c1cnc2c(c1)CCC[C@H]2N[C@@H]1CN2CCC1CC2 ZINC000091660179 180218643 /nfs/dbraw/zinc/21/86/43/180218643.db2.gz SOYQUNZWYPMMTH-HUUCEWRRSA-N 0 3 257.381 2.143 10 0 CEAEHN Cc1cnc(Cl)nc1NC[C@@H]1CCCCN1C ZINC000091658754 180218806 /nfs/dbraw/zinc/21/88/06/180218806.db2.gz CHENRTJXZVDORO-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN CCOc1ccccc1[C@H](C)NC[C@@H]1CN(C)CCO1 ZINC000091666720 180221809 /nfs/dbraw/zinc/22/18/09/180221809.db2.gz JZVHYXGJGJJZPB-UONOGXRCSA-N 0 3 278.396 2.067 10 0 CEAEHN CN1CCO[C@@H](CN[C@@H](c2cccs2)C2CC2)C1 ZINC000091667344 180223427 /nfs/dbraw/zinc/22/34/27/180223427.db2.gz ITMHVEQDNICUJO-GXTWGEPZSA-N 0 3 266.410 2.119 10 0 CEAEHN CCN[C@H](c1cc(F)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718755 180233297 /nfs/dbraw/zinc/23/32/97/180233297.db2.gz NPKXCEQAWGPVML-LSDHHAIUSA-N 0 3 266.360 2.115 10 0 CEAEHN CCCN[C@@H](c1ccccc1F)[C@H]1CN(C)CCO1 ZINC000091719228 180234333 /nfs/dbraw/zinc/23/43/33/180234333.db2.gz QVCHEJXQOWJQPH-CABCVRRESA-N 0 3 266.360 2.197 10 0 CEAEHN CCCN[C@@H](c1ccc(C)s1)[C@@H]1CN(C)CCO1 ZINC000091719542 180234475 /nfs/dbraw/zinc/23/44/75/180234475.db2.gz NOTWGSGRWBRFSV-GXTWGEPZSA-N 0 3 268.426 2.428 10 0 CEAEHN CN[C@H](c1ccccc1C)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720890 180235347 /nfs/dbraw/zinc/23/53/47/180235347.db2.gz BUCPLVINVWZYBL-VNQPRFMTSA-N 0 3 260.381 2.119 10 0 CEAEHN CCOc1ccc([C@H](NC)[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091721040 180236484 /nfs/dbraw/zinc/23/64/84/180236484.db2.gz CSHHRGVQWKBFKD-PVAVHDDUSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@H](c1ccccc1F)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721775 180238696 /nfs/dbraw/zinc/23/86/96/180238696.db2.gz YUNNLMCUSURNKY-DAXOMENPSA-N 0 3 278.371 2.340 10 0 CEAEHN CN[C@H](C)c1cccn1CC(=O)N1CCCCCC1 ZINC000091800448 180259466 /nfs/dbraw/zinc/25/94/66/180259466.db2.gz BBMJBWCJVDJEHL-CYBMUJFWSA-N 0 3 263.385 2.171 10 0 CEAEHN CCCN[C@H](C)c1cnc([C@H]2CN(C)CCO2)s1 ZINC000091722509 180239976 /nfs/dbraw/zinc/23/99/76/180239976.db2.gz XGVIMDMKEWGOSM-GHMZBOCLSA-N 0 3 269.414 2.207 10 0 CEAEHN CC1(C)C[C@H]1NCc1cnc2cnc(Br)cn12 ZINC000092049854 180312194 /nfs/dbraw/zinc/31/21/94/180312194.db2.gz CLTZJNZZUFJNCN-SECBINFHSA-N 0 3 295.184 2.380 10 0 CEAEHN CNCc1nc(C)ccc1OC[C@@H]1Cc2ccccc2O1 ZINC000091994527 180301609 /nfs/dbraw/zinc/30/16/09/180301609.db2.gz FYRPMNYMDKVCHG-AWEZNQCLSA-N 0 3 284.359 2.492 10 0 CEAEHN Cc1ccc(O[C@H]2CCOC2)c(CNCC(C)C)n1 ZINC000091996317 180301988 /nfs/dbraw/zinc/30/19/88/180301988.db2.gz PRFSYLRXTAHOPS-ZDUSSCGKSA-N 0 3 264.369 2.303 10 0 CEAEHN Cc1ccc(OCC(=O)NC(C)C)c(CNCC(C)C)n1 ZINC000091996434 180302180 /nfs/dbraw/zinc/30/21/80/180302180.db2.gz FLUQZRVYNOZNLW-UHFFFAOYSA-N 0 3 293.411 2.039 10 0 CEAEHN CCNc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092005739 180305531 /nfs/dbraw/zinc/30/55/31/180305531.db2.gz QVLKUKDVYPSOAF-KGLIPLIRSA-N 0 3 287.407 2.427 10 0 CEAEHN COC(C)(C)c1noc([C@H]2CNCc3ccccc32)n1 ZINC000092137821 180333700 /nfs/dbraw/zinc/33/37/00/180333700.db2.gz FIAVLJFJXYBTMX-LBPRGKRZSA-N 0 3 273.336 2.186 10 0 CEAEHN C[C@H]1CN(c2ccc(CNC(C)(C)C)nn2)C[C@H]1C ZINC000092089033 180321690 /nfs/dbraw/zinc/32/16/90/180321690.db2.gz FGFHXYLOARUYLX-TXEJJXNPSA-N 0 3 262.401 2.457 10 0 CEAEHN Fc1ccccc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000105884493 186083065 /nfs/dbraw/zinc/08/30/65/186083065.db2.gz KWXWWMGLUOXWEM-CYBMUJFWSA-N 0 3 274.343 2.329 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(C[C@H](O)Cc3ccccc3)C2)c1 ZINC000105901118 186087198 /nfs/dbraw/zinc/08/71/98/186087198.db2.gz DTFUSUFCVLSSOU-QZTJIDSGSA-N 0 3 299.418 2.432 10 0 CEAEHN Cc1cnn([C@H]2CCCN(CCOC(C)C)C2)c1 ZINC000105900580 186088201 /nfs/dbraw/zinc/08/82/01/186088201.db2.gz AQPMUVBAIUCRPD-AWEZNQCLSA-N 0 3 251.374 2.253 10 0 CEAEHN COc1cccc([C@@H](CN)NCc2ccccc2)c1OC ZINC000106024070 186098169 /nfs/dbraw/zinc/09/81/69/186098169.db2.gz VMANLXLORUQJEO-OAHLLOKOSA-N 0 3 286.375 2.493 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)c(F)c2)CCN1C[C@@H](C)O ZINC000106103930 186103315 /nfs/dbraw/zinc/10/33/15/186103315.db2.gz JOUQFPDOIWLYRG-OCCSQVGLSA-N 0 3 298.377 2.242 10 0 CEAEHN Cc1cc(NC(=O)[C@@H](CN)Cc2ccccc2)ccn1 ZINC000092349303 180367543 /nfs/dbraw/zinc/36/75/43/180367543.db2.gz VCWKMPCGGVSLSN-CQSZACIVSA-N 0 3 269.348 2.146 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(Cl)n2)CCN1C ZINC000092366541 180369226 /nfs/dbraw/zinc/36/92/26/180369226.db2.gz DNXUPJAFLPMGME-LBPRGKRZSA-N 0 3 253.777 2.261 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@@H]1Sc1nc[nH]n1 ZINC000092389666 180375156 /nfs/dbraw/zinc/37/51/56/180375156.db2.gz GYLSXKYEFABFMN-QWHCGFSZSA-N 0 3 290.392 2.181 10 0 CEAEHN CC(C)[C@H]1CSC(NC[C@@H]2CCCCN2C)=N1 ZINC000092402489 180377877 /nfs/dbraw/zinc/37/78/77/180377877.db2.gz QHKRWPHJUSYDQY-NWDGAFQWSA-N 0 3 255.431 2.188 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1cc(NC)ccn1 ZINC000092418757 180381244 /nfs/dbraw/zinc/38/12/44/180381244.db2.gz STRHBFYZCKKSQN-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@@H]1OCCCOC ZINC000092386722 180373775 /nfs/dbraw/zinc/37/37/75/180373775.db2.gz BZQNLPVVUBXPQP-JKSUJKDBSA-N 0 3 279.380 2.324 10 0 CEAEHN COc1ccc2c(c1)[C@H](N[C@@H](C)CS(C)(=O)=O)CCC2 ZINC000092384225 180373885 /nfs/dbraw/zinc/37/38/85/180373885.db2.gz AXBMHSOJQJSSOD-XHDPSFHLSA-N 0 3 297.420 2.095 10 0 CEAEHN CCNCc1c(C)nn(Cc2cccc(C)n2)c1C ZINC000092431490 180384392 /nfs/dbraw/zinc/38/43/92/180384392.db2.gz QMRSYENBIZJCTK-UHFFFAOYSA-N 0 3 258.369 2.361 10 0 CEAEHN COC[C@@H](N)Cc1nc([C@H]2CCCc3ccccc32)no1 ZINC000109514935 186258022 /nfs/dbraw/zinc/25/80/22/186258022.db2.gz YCFAKEJFIKQIGK-JSGCOSHPSA-N 0 3 287.363 2.054 10 0 CEAEHN CC(C)OCCOc1cc(CN)nc2ccccc21 ZINC000109590245 186264859 /nfs/dbraw/zinc/26/48/59/186264859.db2.gz BBWPVMTWEZRHAI-UHFFFAOYSA-N 0 3 260.337 2.497 10 0 CEAEHN CCC(CC)N(CCO)Cc1c(N)cccc1F ZINC000109427573 186251961 /nfs/dbraw/zinc/25/19/61/186251961.db2.gz PYHWOANVFZDYSM-UHFFFAOYSA-N 0 3 254.349 2.391 10 0 CEAEHN CCC[C@H](C(N)=S)N1CCN(Cc2cccs2)CC1 ZINC000109470299 186255239 /nfs/dbraw/zinc/25/52/39/186255239.db2.gz LPDOZJLJELOCHK-CYBMUJFWSA-N 0 3 297.493 2.321 10 0 CEAEHN CNCc1cc2ccccc2c(O[C@@H]2CCOC2)n1 ZINC000110532704 186301910 /nfs/dbraw/zinc/30/19/10/186301910.db2.gz CDTFQQYIFIGHQZ-CYBMUJFWSA-N 0 3 258.321 2.122 10 0 CEAEHN COc1cc(N2CCN(C(C)(C)C)CC2)c(N)cc1F ZINC000110626713 186307095 /nfs/dbraw/zinc/30/70/95/186307095.db2.gz WUVKJSHIQVGWEH-UHFFFAOYSA-N 0 3 281.375 2.337 10 0 CEAEHN CN(C)Cc1ccccc1CNCc1nccs1 ZINC000110908109 186331183 /nfs/dbraw/zinc/33/11/83/186331183.db2.gz OKUXEROKSLUSOX-UHFFFAOYSA-N 0 3 261.394 2.495 10 0 CEAEHN N[C@@H]1CCCc2nc(Cc3nc4ccccc4[nH]3)ncc21 ZINC000110950987 186335325 /nfs/dbraw/zinc/33/53/25/186335325.db2.gz BTTLARAQHILENV-LLVKDONJSA-N 0 3 279.347 2.280 10 0 CEAEHN CNCc1cnc(Cc2nc3ccccc3[nH]2)s1 ZINC000110950076 186335802 /nfs/dbraw/zinc/33/58/02/186335802.db2.gz SXHQYKWZUXZBRL-UHFFFAOYSA-N 0 3 258.350 2.330 10 0 CEAEHN CN[C@H](C)c1ccc(C)cc1OCC(=O)NC(C)C ZINC000110959317 186336296 /nfs/dbraw/zinc/33/62/96/186336296.db2.gz GBKMZTVAVCHNOO-GFCCVEGCSA-N 0 3 264.369 2.179 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OC[C@H]1CNC(=O)O1 ZINC000110960804 186337528 /nfs/dbraw/zinc/33/75/28/186337528.db2.gz YNOSAQHZZCKBQV-NWDGAFQWSA-N 0 3 278.352 2.153 10 0 CEAEHN Cc1ccc(C[C@H](CN)C(=O)N2CCCCC2)cc1F ZINC000110974671 186338204 /nfs/dbraw/zinc/33/82/04/186338204.db2.gz ILJQWAMDPPKTMX-CQSZACIVSA-N 0 3 278.371 2.264 10 0 CEAEHN COc1ccc([C@H](O)[C@@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110736519 186318807 /nfs/dbraw/zinc/31/88/07/186318807.db2.gz UYCYOCGRGPJVDP-CZUORRHYSA-N 0 3 292.423 2.143 10 0 CEAEHN CC[C@@H]1CN(CCNc2ccccc2C)CCN1C ZINC000110757402 186320435 /nfs/dbraw/zinc/32/04/35/186320435.db2.gz QMYZFSVJVRDRQS-OAHLLOKOSA-N 0 3 261.413 2.433 10 0 CEAEHN CCc1cc2c(nc(C[C@@H]3CCCO3)nc2NN)s1 ZINC000110774283 186322689 /nfs/dbraw/zinc/32/26/89/186322689.db2.gz COEQUERUAUFAEB-QMMMGPOBSA-N 0 3 278.381 2.261 10 0 CEAEHN COc1cc(N2CCN(C3CCCC3)CC2)ccc1N ZINC000111055510 186349656 /nfs/dbraw/zinc/34/96/56/186349656.db2.gz TVQGUFUBNZNMNC-UHFFFAOYSA-N 0 3 275.396 2.342 10 0 CEAEHN CN(Cc1nc2ccc(N)cc2[nH]1)C[C@@H]1CCCOC1 ZINC000111154913 186361165 /nfs/dbraw/zinc/36/11/65/186361165.db2.gz IMQBMTGTEOQAGC-NSHDSACASA-N 0 3 274.368 2.004 10 0 CEAEHN CCCOCCOC[C@@H](N)c1ccc(OC)c(OC)c1 ZINC000111107317 186352239 /nfs/dbraw/zinc/35/22/39/186352239.db2.gz IQXQTWUCTDLCAI-CYBMUJFWSA-N 0 3 283.368 2.147 10 0 CEAEHN CCCOCCO[C@H]1COc2ccccc2[C@H]1NC ZINC000111108056 186353579 /nfs/dbraw/zinc/35/35/79/186353579.db2.gz IXXHZKYPYHSUHW-LSDHHAIUSA-N 0 3 265.353 2.151 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@@H]1N(C)CC1CCOCC1 ZINC000111162275 186363395 /nfs/dbraw/zinc/36/33/95/186363395.db2.gz VRNBCQHJVRRPDP-RDJZCZTQSA-N 0 3 290.407 2.067 10 0 CEAEHN CCOCCN(CC)[C@@H](CN)c1ccc(OC)c(OC)c1 ZINC000111117319 186354881 /nfs/dbraw/zinc/35/48/81/186354881.db2.gz HJYANTDZGTYAAT-AWEZNQCLSA-N 0 3 296.411 2.062 10 0 CEAEHN CCOCCN(CC)C[C@H](N)c1ccc(OC)cc1 ZINC000111118552 186355523 /nfs/dbraw/zinc/35/55/23/186355523.db2.gz KLUBEXYPHGMFCD-HNNXBMFYSA-N 0 3 266.385 2.053 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N(CC)CCOCC ZINC000111118792 186355670 /nfs/dbraw/zinc/35/56/70/186355670.db2.gz IJRQABORGDIOBJ-DOTOQJQBSA-N 0 3 292.423 2.457 10 0 CEAEHN COc1cc2c(cc1F)nc(N)n2CC1CCOCC1 ZINC000111167640 186363626 /nfs/dbraw/zinc/36/36/26/186363626.db2.gz KBNSAGFCTAZRRZ-UHFFFAOYSA-N 0 3 279.315 2.193 10 0 CEAEHN CO[C@@H]1CCC[C@@H]1NCc1nc2ccccc2n1C ZINC000111234000 186373443 /nfs/dbraw/zinc/37/34/43/186373443.db2.gz OSYHLJQRYQGCSD-GXTWGEPZSA-N 0 3 259.353 2.230 10 0 CEAEHN Cc1ccc(F)c(NC(=O)c2ccc(CN)cn2)c1 ZINC000111281353 186387910 /nfs/dbraw/zinc/38/79/10/186387910.db2.gz AUDXIWHGWCXIGC-UHFFFAOYSA-N 0 3 259.284 2.240 10 0 CEAEHN CCc1ccc(N(C)C(=O)c2ccc(CN)cn2)cc1 ZINC000111282212 186389081 /nfs/dbraw/zinc/38/90/81/186389081.db2.gz VWZBEOHTAQYUBY-UHFFFAOYSA-N 0 3 269.348 2.379 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2ccc(Br)cn2)C1 ZINC000069938653 363014430 /nfs/dbraw/zinc/01/44/30/363014430.db2.gz PNARKODXGCRHSG-JQWIXIFHSA-N 0 3 285.185 2.237 10 0 CEAEHN NCc1cnc(-c2cccc3c2OCCCO3)s1 ZINC000629739512 351492911 /nfs/dbraw/zinc/49/29/11/351492911.db2.gz ZFKYHWCOHBZFEY-UHFFFAOYSA-N 0 3 262.334 2.430 10 0 CEAEHN CC(C)c1nc(-c2ccccn2)cc(N2CCNCC2)n1 ZINC000070451678 363083866 /nfs/dbraw/zinc/08/38/66/363083866.db2.gz OHRYZTXBKPGUTM-UHFFFAOYSA-N 0 3 283.379 2.072 10 0 CEAEHN Clc1cccc(-c2nccc(N3CCNCC3)n2)c1 ZINC000070451319 363082959 /nfs/dbraw/zinc/08/29/59/363082959.db2.gz XWUKEUNATFZUSS-UHFFFAOYSA-N 0 3 274.755 2.207 10 0 CEAEHN CC(C)c1nc(-c2ccncc2)cc(N2CCNCC2)n1 ZINC000070451676 363084198 /nfs/dbraw/zinc/08/41/98/363084198.db2.gz BAQSMKBZZFZDIF-UHFFFAOYSA-N 0 3 283.379 2.072 10 0 CEAEHN Cc1cnn(C[C@@H]2CN(C[C@H]3CC=CCC3)CCO2)c1 ZINC000122365840 187028602 /nfs/dbraw/zinc/02/86/02/187028602.db2.gz ZORPBPIWIGLWOM-HOTGVXAUSA-N 0 3 275.396 2.249 10 0 CEAEHN CC[C@@](C)(O)CN(C)Cc1ccc(OC)cc1OC ZINC000123032634 187067440 /nfs/dbraw/zinc/06/74/40/187067440.db2.gz BVXMLFXZYQHSTG-OAHLLOKOSA-N 0 3 267.369 2.297 10 0 CEAEHN COc1ccc2c(c1)[C@@H](NCCn1cc(C)cn1)CC2 ZINC000123949509 187115726 /nfs/dbraw/zinc/11/57/26/187115726.db2.gz JBRNKNIDKPXBDF-INIZCTEOSA-N 0 3 271.364 2.477 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)CNC2CC2)cc1F ZINC000094956397 539888376 /nfs/dbraw/zinc/88/83/76/539888376.db2.gz JFCSBIWOHNPWAZ-SNVBAGLBSA-N 0 3 250.317 2.063 10 0 CEAEHN O=C(NCCN1CCCCCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250829429 539968877 /nfs/dbraw/zinc/96/88/77/539968877.db2.gz INGOKIIVVSKDDH-BTTYYORXSA-N 0 3 250.386 2.025 10 0 CEAEHN CN(C)C[C@H](NC(=O)NC(C)(C)C)c1ccccc1 ZINC000153834923 188106092 /nfs/dbraw/zinc/10/60/92/188106092.db2.gz KAPRXEYVYSUHBD-ZDUSSCGKSA-N 0 3 263.385 2.387 10 0 CEAEHN CC[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000154938972 188171811 /nfs/dbraw/zinc/17/18/11/188171811.db2.gz YEEXEPKJSJMXSZ-ZIAGYGMSSA-N 0 3 274.343 2.473 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)COc2ccccc2F)[C@@H](C)C1 ZINC000155332466 188198755 /nfs/dbraw/zinc/19/87/55/188198755.db2.gz VDSINUNPXWGLRR-JSGCOSHPSA-N 0 3 294.370 2.049 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000155816918 188229089 /nfs/dbraw/zinc/22/90/89/188229089.db2.gz ZWIMBXSOHOTJHG-PWSUYJOCSA-N 0 3 252.383 2.207 10 0 CEAEHN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](C)N)o1 ZINC000157378535 188313632 /nfs/dbraw/zinc/31/36/32/188313632.db2.gz JDLFDOVRHNBKHX-WCQGTBRESA-N 0 3 250.342 2.235 10 0 CEAEHN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)N)o1 ZINC000157378262 188313952 /nfs/dbraw/zinc/31/39/52/188313952.db2.gz JDLFDOVRHNBKHX-JLLWLGSASA-N 0 3 250.342 2.235 10 0 CEAEHN CC(C)COc1cccc(NC(=O)C2(N)CCOCC2)c1 ZINC000132148271 366121478 /nfs/dbraw/zinc/12/14/78/366121478.db2.gz HAPHUMFDXLREMF-UHFFFAOYSA-N 0 3 292.379 2.168 10 0 CEAEHN CCOC(=O)CCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000132613308 366157694 /nfs/dbraw/zinc/15/76/94/366157694.db2.gz NVTSAPPDKWBTOT-UONOGXRCSA-N 0 3 269.385 2.363 10 0 CEAEHN Cc1cc(C2=C[C@@H](N)CN(C(=O)OC(C)(C)C)C2)sn1 ZINC000675078832 540119214 /nfs/dbraw/zinc/11/92/14/540119214.db2.gz UPLQFHHZADYAST-LLVKDONJSA-N 0 3 295.408 2.413 10 0 CEAEHN Cc1csc(C2=C[C@@H](N)CN(C(=O)OC(C)(C)C)C2)n1 ZINC000675079410 540119560 /nfs/dbraw/zinc/11/95/60/540119560.db2.gz YPCLEVBBFMLQKH-LLVKDONJSA-N 0 3 295.408 2.413 10 0 CEAEHN C[C@H]1C[C@@H]1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000075509300 363468982 /nfs/dbraw/zinc/46/89/82/363468982.db2.gz YJPXMFOHYYOSON-WFASDCNBSA-N 0 3 258.365 2.421 10 0 CEAEHN c1nn(Cc2ccccc2)cc1NC1=NCCCCN1 ZINC000575489282 366291769 /nfs/dbraw/zinc/29/17/69/366291769.db2.gz BCJGXSGUHJBPQU-UHFFFAOYSA-N 0 3 269.352 2.083 10 0 CEAEHN c1ccc2c(c1)C[C@@H]2CN1CCCC2(C1)OCCO2 ZINC000134061237 366281600 /nfs/dbraw/zinc/28/16/00/366281600.db2.gz DREVZEBIXBWMGH-CQSZACIVSA-N 0 3 259.349 2.165 10 0 CEAEHN C[C@@H]1C[C@](N)(c2cscc2Br)CO1 ZINC000575566319 366296371 /nfs/dbraw/zinc/29/63/71/366296371.db2.gz UBRMBZIPDINDCE-HZGVNTEJSA-N 0 3 262.172 2.473 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(C)c(Cl)c2)C1 ZINC000233519232 538876705 /nfs/dbraw/zinc/87/67/05/538876705.db2.gz CWVGDIDVGLMKEU-CQSZACIVSA-N 0 3 282.815 2.459 10 0 CEAEHN CN(C)C[C@H](NC(=O)CC[C@@H]1CCOC1)c1ccccc1 ZINC000176584732 189000818 /nfs/dbraw/zinc/00/08/18/189000818.db2.gz AHWJFVIAXUNFAH-ZBFHGGJFSA-N 0 3 290.407 2.222 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccnc(SC)c1 ZINC000176980571 189018611 /nfs/dbraw/zinc/01/86/11/189018611.db2.gz POGAVTMXFXTQMP-ZDUSSCGKSA-N 0 3 293.436 2.360 10 0 CEAEHN C[C@@H](c1ccccn1)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000177136829 189031501 /nfs/dbraw/zinc/03/15/01/189031501.db2.gz KYDKIOVFGVMZSP-HNNXBMFYSA-N 0 3 299.422 2.084 10 0 CEAEHN COC(=O)c1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177101808 189028798 /nfs/dbraw/zinc/02/87/98/189028798.db2.gz ZVAQKMVLAJREQC-MRXNPFEDSA-N 0 3 299.374 2.334 10 0 CEAEHN COc1c(C)cnc(CN2CCN3CCCC[C@@H]3C2)c1C ZINC000177766299 189068152 /nfs/dbraw/zinc/06/81/52/189068152.db2.gz ZBXICFJPSPXFEN-OAHLLOKOSA-N 0 3 289.423 2.377 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1ccccc1 ZINC000178305015 189105059 /nfs/dbraw/zinc/10/50/59/189105059.db2.gz LNVHDPCYTDBQTQ-INIZCTEOSA-N 0 3 298.390 2.295 10 0 CEAEHN Cn1cccc1[C@H]1CCCN1C[C@H](O)COC(C)(C)C ZINC000178495741 189120859 /nfs/dbraw/zinc/12/08/59/189120859.db2.gz ZNBMKQGEHRGBCE-DZGCQCFKSA-N 0 3 280.412 2.338 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1nc(C)sc1C ZINC000178812194 189147643 /nfs/dbraw/zinc/14/76/43/189147643.db2.gz PTBFWHIVIZRWOJ-LBPRGKRZSA-N 0 3 281.425 2.316 10 0 CEAEHN Cc1cccc(C(=O)N2CCO[C@@H](CN(C)C)C2)c1Cl ZINC000179098509 189169603 /nfs/dbraw/zinc/16/96/03/189169603.db2.gz LCCCMQZYFVZLQB-LBPRGKRZSA-N 0 3 296.798 2.051 10 0 CEAEHN O=C(/C=C/c1ccnc(Cl)c1)N1CCN2CCC[C@H]2C1 ZINC000179225681 189178741 /nfs/dbraw/zinc/17/87/41/189178741.db2.gz JVNSFKVMCFNPRI-OOPCZODUSA-N 0 3 291.782 2.055 10 0 CEAEHN CCC(CC)n1nc(C)cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000180335152 189250777 /nfs/dbraw/zinc/25/07/77/189250777.db2.gz QYGITXFYUZFXTM-CQSZACIVSA-N 0 3 292.427 2.329 10 0 CEAEHN O[C@H]1CCCN[C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000003622558 361286824 /nfs/dbraw/zinc/28/68/24/361286824.db2.gz XMOKTMYFZDJYQI-DLBZAZTESA-N 0 3 283.371 2.035 10 0 CEAEHN C[C@H](CCC(C)(C)C)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000153834653 366739208 /nfs/dbraw/zinc/73/92/08/366739208.db2.gz GMSPZPDGSSZUQU-ZIAGYGMSSA-N 0 3 299.459 2.173 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000082287891 363760274 /nfs/dbraw/zinc/76/02/74/363760274.db2.gz OAIKTRDENGERSQ-GFCCVEGCSA-N 0 3 276.355 2.020 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000083869624 363790551 /nfs/dbraw/zinc/79/05/51/363790551.db2.gz IFROBIPKPQBNRV-SSDOTTSWSA-N 0 3 287.157 2.004 10 0 CEAEHN Cc1noc(C)c1[C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000153993290 366750520 /nfs/dbraw/zinc/75/05/20/366750520.db2.gz GMNGGBLFXGPIFY-SMDDNHRTSA-N 0 3 295.427 2.487 10 0 CEAEHN COc1ccc2c3c1cccc3C(=O)N(CCN(C)C)C2=O ZINC000028228118 361669356 /nfs/dbraw/zinc/66/93/56/361669356.db2.gz IRFXATKWSGJHHN-UHFFFAOYSA-N 0 3 298.342 2.006 10 0 CEAEHN CCn1cncc1CN[C@H](CN(C)C)c1ccccc1 ZINC000090169964 364044417 /nfs/dbraw/zinc/04/44/17/364044417.db2.gz HCFLLTJFHKPFLR-MRXNPFEDSA-N 0 3 272.396 2.296 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(Cl)n1 ZINC000092627437 364090047 /nfs/dbraw/zinc/09/00/47/364090047.db2.gz PRDDTHYFUILKQG-LLVKDONJSA-N 0 3 281.787 2.291 10 0 CEAEHN Cc1c(CN[C@H](CN(C)C)c2ccccc2)cnn1C ZINC000093649300 364209060 /nfs/dbraw/zinc/20/90/60/364209060.db2.gz KCAODSDFJXLTEL-MRXNPFEDSA-N 0 3 272.396 2.121 10 0 CEAEHN Cc1ccc([C@H](C)NCCN2CCOCC2)cc1F ZINC000094836570 364301421 /nfs/dbraw/zinc/30/14/21/364301421.db2.gz CAEMJGBFQIVAJZ-ZDUSSCGKSA-N 0 3 266.360 2.117 10 0 CEAEHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C(C)C ZINC000111442259 364738239 /nfs/dbraw/zinc/73/82/39/364738239.db2.gz PFBAIEASUDBECT-QWHCGFSZSA-N 0 3 255.406 2.205 10 0 CEAEHN Cc1cccc(CCN2CCN3CCCC[C@@H]3C2)n1 ZINC000335462815 364765857 /nfs/dbraw/zinc/76/58/57/364765857.db2.gz OCZXQMCKRIAOPE-MRXNPFEDSA-N 0 3 259.397 2.103 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)COC1CCCCC1 ZINC000113227292 364877433 /nfs/dbraw/zinc/87/74/33/364877433.db2.gz FPAPYZVHWFKKIT-UONOGXRCSA-N 0 3 280.412 2.031 10 0 CEAEHN CC(=O)c1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000113444756 364895113 /nfs/dbraw/zinc/89/51/13/364895113.db2.gz QBUKMMNVDSEHRL-MLGOLLRUSA-N 0 3 286.375 2.198 10 0 CEAEHN Cn1cc([C@H]2CCN(C[C@H](O)c3ccccc3F)C2)cn1 ZINC000116321100 365051354 /nfs/dbraw/zinc/05/13/54/365051354.db2.gz RVDQNKUJIKRDSJ-LRDDRELGSA-N 0 3 289.354 2.082 10 0 CEAEHN Cc1cccc(C)c1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000118793330 365180224 /nfs/dbraw/zinc/18/02/24/365180224.db2.gz KUJSFUFXVOXVQC-CQSZACIVSA-N 0 3 291.395 2.098 10 0 CEAEHN c1cnn(C[C@@H]2CN(CCC3CCCC3)CCO2)c1 ZINC000119258275 365244046 /nfs/dbraw/zinc/24/40/46/365244046.db2.gz OTSMMADJTUIDMY-HNNXBMFYSA-N 0 3 263.385 2.164 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000119345898 365257930 /nfs/dbraw/zinc/25/79/30/365257930.db2.gz QNPZJXRFTVEGSH-VIFPVBQESA-N 0 3 287.285 2.272 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccnc(C)c1 ZINC000120181845 365386111 /nfs/dbraw/zinc/38/61/11/365386111.db2.gz HALWSPCHPQLCIF-AWEZNQCLSA-N 0 3 276.384 2.338 10 0 CEAEHN Cc1ncccc1CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120251788 365395613 /nfs/dbraw/zinc/39/56/13/365395613.db2.gz AADSLGJGDZRGBD-MRXNPFEDSA-N 0 3 297.406 2.281 10 0 CEAEHN CCC[C@H](C(=O)NCC1(C2CC2)CCC1)N(C)C ZINC000120309566 365405062 /nfs/dbraw/zinc/40/50/62/365405062.db2.gz VNPFUASUCLYWCJ-CYBMUJFWSA-N 0 3 252.402 2.413 10 0 CEAEHN CCC[C@@H](C(=O)NCCOCc1ccccc1)N(C)C ZINC000162394397 367157476 /nfs/dbraw/zinc/15/74/76/367157476.db2.gz AQPZFAVVXYOSEM-HNNXBMFYSA-N 0 3 278.396 2.050 10 0 CEAEHN Cc1cc(F)ccc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245693291 370858446 /nfs/dbraw/zinc/85/84/46/370858446.db2.gz BTKXFLLTVWLNJN-KBPBESRZSA-N 0 3 280.387 2.021 10 0 CEAEHN C[C@@H](Cc1ccccc1F)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170833330 367428458 /nfs/dbraw/zinc/42/84/58/367428458.db2.gz GMUQUNRFSJATGL-GXTWGEPZSA-N 0 3 293.386 2.102 10 0 CEAEHN C[C@@H]1CCC[C@H](CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170833692 367428227 /nfs/dbraw/zinc/42/82/27/367428227.db2.gz AARAHJQYKIFCQD-RDBSUJKOSA-N 0 3 267.417 2.158 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cc(F)ccc2F)C1 ZINC000171069261 367470101 /nfs/dbraw/zinc/47/01/01/367470101.db2.gz KMGGIGUOQVYCKZ-SNVBAGLBSA-N 0 3 269.295 2.133 10 0 CEAEHN CCOc1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000171080150 367473790 /nfs/dbraw/zinc/47/37/90/367473790.db2.gz NRTYKCCJGBOZST-LBPRGKRZSA-N 0 3 295.358 2.392 10 0 CEAEHN Cc1ccc(C(=O)CCC(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000170859812 367433246 /nfs/dbraw/zinc/43/32/46/367433246.db2.gz PYCWFQYFGMFVMP-LBPRGKRZSA-N 0 3 294.420 2.182 10 0 CEAEHN C[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1cccs1 ZINC000170863211 367433727 /nfs/dbraw/zinc/43/37/27/367433727.db2.gz LVSGNRJNXGVXQJ-WDEREUQCSA-N 0 3 267.398 2.155 10 0 CEAEHN Cc1ccc2oc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3C)cc2n1 ZINC000172059003 367665999 /nfs/dbraw/zinc/66/59/99/367665999.db2.gz IKUVAEZRWFXESV-STQMWFEESA-N 0 3 299.374 2.445 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1cccs1 ZINC000172349736 367723729 /nfs/dbraw/zinc/72/37/29/367723729.db2.gz BDHUDQAVTOWREG-NWDGAFQWSA-N 0 3 264.394 2.158 10 0 CEAEHN Cc1cc(CN2CCO[C@H](CN(C)C)C2)c2ccccc2n1 ZINC000172418166 367738191 /nfs/dbraw/zinc/73/81/91/367738191.db2.gz KHWULTXAMMEWJO-MRXNPFEDSA-N 0 3 299.418 2.306 10 0 CEAEHN Cc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c(C)c1 ZINC000245744385 370868682 /nfs/dbraw/zinc/86/86/82/370868682.db2.gz MMLCDDJZXSFSOC-JKSUJKDBSA-N 0 3 276.424 2.190 10 0 CEAEHN COC(C)(C)CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000173562252 367922228 /nfs/dbraw/zinc/92/22/28/367922228.db2.gz JRZUKEFFGRZOEU-CQSZACIVSA-N 0 3 293.411 2.014 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000173575076 367924291 /nfs/dbraw/zinc/92/42/91/367924291.db2.gz XFRZTPXNGZYRNK-IUODEOHRSA-N 0 3 276.355 2.236 10 0 CEAEHN COc1c(CN[C@@H]2C[C@](C)(OC)C2(C)C)c(C)nn1C ZINC000174135210 367987987 /nfs/dbraw/zinc/98/79/87/367987987.db2.gz XWEKBQATCZTAML-DOMZBBRYSA-N 0 3 281.400 2.030 10 0 CEAEHN Cc1cccc([C@H](C)N[C@@H]2CCc3ncnn3C2)c1 ZINC000174084905 367980226 /nfs/dbraw/zinc/98/02/26/367980226.db2.gz ARRYLRLUAIZETI-GXTWGEPZSA-N 0 3 256.353 2.252 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1cccs1 ZINC000176984584 368256944 /nfs/dbraw/zinc/25/69/44/368256944.db2.gz ZSRVKOWHHHMZLE-LBPRGKRZSA-N 0 3 266.410 2.233 10 0 CEAEHN CN(C)C[C@@H](NC(=O)Cc1ccncc1)c1ccccc1 ZINC000181836453 368499212 /nfs/dbraw/zinc/49/92/12/368499212.db2.gz PODLRGZUKZKWDH-MRXNPFEDSA-N 0 3 283.375 2.043 10 0 CEAEHN C[C@@H](c1nc2ccccc2s1)[C@H](C)NCC(=O)N(C)C ZINC000182185077 368532339 /nfs/dbraw/zinc/53/23/39/368532339.db2.gz DJQPWSUFVSWSAU-MNOVXSKESA-N 0 3 291.420 2.466 10 0 CEAEHN CCOc1ccc([C@H](C)NC[C@@H]2CN(CC)CCO2)cc1 ZINC000163890863 541694570 /nfs/dbraw/zinc/69/45/70/541694570.db2.gz QRVSMPBXIDQRJP-WMLDXEAASA-N 0 3 292.423 2.457 10 0 CEAEHN C[C@@H]1CCCC[C@H]1CNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246021708 370899640 /nfs/dbraw/zinc/89/96/40/370899640.db2.gz OOSZWTIUFNTJGG-HZSPNIEDSA-N 0 3 267.417 2.158 10 0 CEAEHN CC(C)c1noc([C@@H](C)N2CCN3CCCC[C@H]3C2)n1 ZINC000246249800 370936331 /nfs/dbraw/zinc/93/63/31/370936331.db2.gz WISFBVLSMMSKQM-OLZOCXBDSA-N 0 3 278.400 2.424 10 0 CEAEHN O=C([C@H]1CSc2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000246268258 370938326 /nfs/dbraw/zinc/93/83/26/370938326.db2.gz AUOXLYGXXUNPDR-JSGCOSHPSA-N 0 3 288.416 2.183 10 0 CEAEHN CC[C@@H](O)CN1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000185718729 368848527 /nfs/dbraw/zinc/84/85/27/368848527.db2.gz YJMAYIOVXYWBDX-OAHLLOKOSA-N 0 3 299.418 2.436 10 0 CEAEHN Cc1ccc([C@H](C)N[C@H]2CCCS(=O)(=O)CC2)o1 ZINC000634950433 368985642 /nfs/dbraw/zinc/98/56/42/368985642.db2.gz RQGILZRVKRWQEQ-RYUDHWBXSA-N 0 3 271.382 2.206 10 0 CEAEHN CN(CCN1CCC[C@](C)(O)C1)Cc1ccc(F)cc1 ZINC000187385670 369149710 /nfs/dbraw/zinc/14/97/10/369149710.db2.gz VXPKLQYGRXIXHW-INIZCTEOSA-N 0 3 280.387 2.104 10 0 CEAEHN OC[C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccsc1 ZINC000188105527 369297517 /nfs/dbraw/zinc/29/75/17/369297517.db2.gz AJURISJGVRQKID-GJZGRUSLSA-N 0 3 274.389 2.351 10 0 CEAEHN Fc1cc(Cl)ccc1CN[C@H]1CCc2ncnn2C1 ZINC000189011933 369442175 /nfs/dbraw/zinc/44/21/75/369442175.db2.gz UNLFAPUWSDFQDI-NSHDSACASA-N 0 3 280.734 2.175 10 0 CEAEHN CCCCOC[C@@H](O)CN[C@@H](C)c1cccc(O)c1 ZINC000195213240 370115748 /nfs/dbraw/zinc/11/57/48/370115748.db2.gz OCBSHOCDQXTJIU-WFASDCNBSA-N 0 3 267.369 2.220 10 0 CEAEHN CC(C)CC[C@H](N)C(=O)Nc1nnc(CC(C)C)s1 ZINC000637873837 370138495 /nfs/dbraw/zinc/13/84/95/370138495.db2.gz BGYAEVIABMHAIJ-JTQLQIEISA-N 0 3 284.429 2.439 10 0 CEAEHN COC[C@@]1(C(=O)N[C@@H](C)c2cccs2)CCCCN1 ZINC000637884217 370146137 /nfs/dbraw/zinc/14/61/37/370146137.db2.gz BBTJPPNOVVQSIN-SMDDNHRTSA-N 0 3 282.409 2.084 10 0 CEAEHN CCCCN1CC=C(c2nn3c(C)nnc3s2)CC1 ZINC000226250800 370332259 /nfs/dbraw/zinc/33/22/59/370332259.db2.gz DQTQSXZLRYAQGR-UHFFFAOYSA-N 0 3 277.397 2.383 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2cc(O)ccc2Cl)C1 ZINC000233482322 370520840 /nfs/dbraw/zinc/52/08/40/370520840.db2.gz GXDFRJPZPOVNNO-JTQLQIEISA-N 0 3 282.771 2.260 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000246756051 371005627 /nfs/dbraw/zinc/00/56/27/371005627.db2.gz PWQPQHAPXFLTKI-BFHYXJOUSA-N 0 3 282.428 2.310 10 0 CEAEHN CCCc1ncc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)s1 ZINC000246815669 371014626 /nfs/dbraw/zinc/01/46/26/371014626.db2.gz SFGQEPRWTABUFP-NEPJUHHUSA-N 0 3 293.436 2.404 10 0 CEAEHN C[C@H](c1cc(F)ccc1F)N1CCO[C@@H](CN(C)C)C1 ZINC000247058356 371055962 /nfs/dbraw/zinc/05/59/62/371055962.db2.gz FTHQZZSUGYBBLQ-YPMHNXCESA-N 0 3 284.350 2.288 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000247096920 371064414 /nfs/dbraw/zinc/06/44/14/371064414.db2.gz IHQBWBWKNJYDDI-DOMZBBRYSA-N 0 3 283.375 2.477 10 0 CEAEHN c1nc2ccccn2c1CN1CCN2CCCC[C@H]2C1 ZINC000247641557 371131306 /nfs/dbraw/zinc/13/13/06/371131306.db2.gz OMNMEZNTHIVAOZ-AWEZNQCLSA-N 0 3 270.380 2.004 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@H]1c1ccncc1 ZINC000248662245 371232869 /nfs/dbraw/zinc/23/28/69/371232869.db2.gz YDOWMMWGAYLTMO-HOTGVXAUSA-N 0 3 278.396 2.396 10 0 CEAEHN COC(CN1CCC[C@@H]1C[C@@H](O)c1ccccc1)OC ZINC000248726475 371239870 /nfs/dbraw/zinc/23/98/70/371239870.db2.gz NFTZARVVKIZPOG-HUUCEWRRSA-N 0 3 279.380 2.193 10 0 CEAEHN C[C@@H](NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000248857269 371257148 /nfs/dbraw/zinc/25/71/48/371257148.db2.gz PIIKNFXKZKBLSU-NYTXWWLZSA-N 0 3 290.407 2.409 10 0 CEAEHN C[C@@H]1CCC[C@@H]1CC(=O)N1CCN2CCC[C@H]2C1 ZINC000248981202 371279344 /nfs/dbraw/zinc/27/93/44/371279344.db2.gz IWORGTMDVZIBRR-MCIONIFRSA-N 0 3 250.386 2.119 10 0 CEAEHN C=Cn1cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000249037935 371285317 /nfs/dbraw/zinc/28/53/17/371285317.db2.gz TYSXZUSKWCVRFN-GJZGRUSLSA-N 0 3 261.369 2.111 10 0 CEAEHN C[C@H]1CN(CCN2CCC[C@H]2c2ccco2)CCO1 ZINC000249299173 371311953 /nfs/dbraw/zinc/31/19/53/371311953.db2.gz RTWAFNQNEAAMNI-KBPBESRZSA-N 0 3 264.369 2.137 10 0 CEAEHN Cc1cnccc1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000253197085 371501315 /nfs/dbraw/zinc/50/13/15/371501315.db2.gz RQGJAZUUKMHOBM-ZBFHGGJFSA-N 0 3 259.397 2.449 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000253280027 371506110 /nfs/dbraw/zinc/50/61/10/371506110.db2.gz UECXMTHYQKOUCD-JYJNAYRXSA-N 0 3 294.439 2.278 10 0 CEAEHN COCCN1CCN(C/C=C\c2ccc(F)cc2)C[C@H]1C ZINC000255559014 371593842 /nfs/dbraw/zinc/59/38/42/371593842.db2.gz ZOSCPZKEWCKGNM-ABCZVMIZSA-N 0 3 292.398 2.491 10 0 CEAEHN CCn1cc(CN2CCC3(CC[C@@H]3OC)CC2)cn1 ZINC000257183708 371605500 /nfs/dbraw/zinc/60/55/00/371605500.db2.gz SGRCQSNUAPYBQP-AWEZNQCLSA-N 0 3 263.385 2.294 10 0 CEAEHN Nc1cccc(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000261633660 371686495 /nfs/dbraw/zinc/68/64/95/371686495.db2.gz FAKZRHVPZKNIJT-UHFFFAOYSA-N 0 3 283.379 2.135 10 0 CEAEHN CCCC[C@H](CCC)CNC(=O)[C@H](N)C1CCOCC1 ZINC000261668502 371697859 /nfs/dbraw/zinc/69/78/59/371697859.db2.gz AAKPLQGNNDLEKH-DZGCQCFKSA-N 0 3 284.444 2.463 10 0 CEAEHN COc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261862735 371754516 /nfs/dbraw/zinc/75/45/16/371754516.db2.gz CIHBGTPRUUHIIE-OAGGEKHMSA-N 0 3 276.380 2.264 10 0 CEAEHN CCCC[C@H](CC)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261951788 371782221 /nfs/dbraw/zinc/78/22/21/371782221.db2.gz KDZHEQLQIHURHM-JSGCOSHPSA-N 0 3 270.417 2.073 10 0 CEAEHN CCC(CC)(CC)CNC(=O)[C@@H](N)C1CCOCC1 ZINC000262084445 371822021 /nfs/dbraw/zinc/82/20/21/371822021.db2.gz TZWAKONTZJGWKJ-ZDUSSCGKSA-N 0 3 270.417 2.073 10 0 CEAEHN Cc1c(C[S@@](C)=O)cccc1NC(=O)C1(N)CCCC1 ZINC000262456642 371864466 /nfs/dbraw/zinc/86/44/66/371864466.db2.gz HVMOQAPPWZAQRI-HXUWFJFHSA-N 0 3 294.420 2.084 10 0 CEAEHN O=C(Nc1ccc2ccccc2n1)[C@H]1CCCCN1 ZINC000262679054 371896656 /nfs/dbraw/zinc/89/66/56/371896656.db2.gz VGROZVCZBCERBF-CYBMUJFWSA-N 0 3 255.321 2.315 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cc(C)ccc2Cl)CCCN1 ZINC000643628369 373225022 /nfs/dbraw/zinc/22/50/22/373225022.db2.gz RHSRJJRWXJYJKV-CQSZACIVSA-N 0 3 282.771 2.356 10 0 CEAEHN Cc1cnn([C@H]2CCCN(C[C@@H](O)COC(C)(C)C)C2)c1 ZINC000247172308 220219663 /nfs/dbraw/zinc/21/96/63/220219663.db2.gz MZSLGBDUESFBRE-LSDHHAIUSA-N 0 3 295.427 2.004 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cc(Cl)cs1 ZINC000282528977 220235221 /nfs/dbraw/zinc/23/52/21/220235221.db2.gz YXCHWMGAOGIUNY-OIBJUYFYSA-N 0 3 258.774 2.158 10 0 CEAEHN Cc1cc(CN2C[C@@H]3CCCCN3C[C@H]2C)ccn1 ZINC000391235469 375316493 /nfs/dbraw/zinc/31/64/93/375316493.db2.gz CEBVAOJPOKENQS-ZBFHGGJFSA-N 0 3 259.397 2.449 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1cnc(C)o1 ZINC000398062064 375347201 /nfs/dbraw/zinc/34/72/01/375347201.db2.gz KLBQPGMBURIVMK-KBPBESRZSA-N 0 3 263.385 2.432 10 0 CEAEHN Cc1cc(Cl)ccc1CN[C@H]1CCC(=O)N[C@H]1C ZINC000282391653 375473311 /nfs/dbraw/zinc/47/33/11/375473311.db2.gz OZOKFJRFNWJXTM-GWCFXTLKSA-N 0 3 266.772 2.405 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)N[C@H]1CCC(=O)N[C@@H]1C ZINC000282177002 375421912 /nfs/dbraw/zinc/42/19/12/375421912.db2.gz FISPVIMJFAZUJB-SCRDCRAPSA-N 0 3 276.380 2.321 10 0 CEAEHN C=Cn1cc(CNC[C@@H](C)N(C)C(=O)OC(C)(C)C)cn1 ZINC000282850163 375594348 /nfs/dbraw/zinc/59/43/48/375594348.db2.gz PMYNWMPBYOXSHX-GFCCVEGCSA-N 0 3 294.399 2.329 10 0 CEAEHN Cc1ccc(-c2n[nH]cc2CNC[C@H](O)C(C)(C)C)o1 ZINC000304013808 379511648 /nfs/dbraw/zinc/51/16/48/379511648.db2.gz CCPUKOWTGNAUBY-ZDUSSCGKSA-N 0 3 277.368 2.475 10 0 CEAEHN Cc1cc(Br)ccc1CN[C@@H]1CCCNC1=O ZINC000334377528 380326033 /nfs/dbraw/zinc/32/60/33/380326033.db2.gz FXUNIMHMJFBFPK-GFCCVEGCSA-N 0 3 297.196 2.126 10 0 CEAEHN CCN(C(=O)CN[C@H](C)[C@@H]1CCCO1)C1CCCCC1 ZINC000183086239 542286667 /nfs/dbraw/zinc/28/66/67/542286667.db2.gz QWWNWGNJBNGHRU-HIFRSBDPSA-N 0 3 282.428 2.325 10 0 CEAEHN Cc1ccccc1CNC(=O)[C@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC000183121887 542287203 /nfs/dbraw/zinc/28/72/03/542287203.db2.gz SMGFOOHHAICHDU-YCPHGPKFSA-N 0 3 290.407 2.157 10 0 CEAEHN CC1(C)Cc2nc(N3CCCOCC3)sc2[C@@H](N)C1 ZINC000061936841 184567921 /nfs/dbraw/zinc/56/79/21/184567921.db2.gz YPABJQBZIRWLCL-JTQLQIEISA-N 0 3 281.425 2.342 10 0 CEAEHN CN[C@H](c1ccc(OC)cc1)[C@@H](C)Sc1nc[nH]n1 ZINC000081850818 184597389 /nfs/dbraw/zinc/59/73/89/184597389.db2.gz USAXUSQMGNRTTQ-SKDRFNHKSA-N 0 3 278.381 2.255 10 0 CEAEHN CC(C)NCc1cc(S(=O)(=O)N2CCCC2)cs1 ZINC000088905603 184613939 /nfs/dbraw/zinc/61/39/39/184613939.db2.gz FOVHLJJYFAYPTO-UHFFFAOYSA-N 0 3 288.438 2.031 10 0 CEAEHN CCOc1ccccc1-c1nn(C)cc1CNCCOC ZINC000093297526 184661112 /nfs/dbraw/zinc/66/11/12/184661112.db2.gz GUSCLZQJHTYVQI-UHFFFAOYSA-N 0 3 289.379 2.222 10 0 CEAEHN CC[C@H](C)S(=O)(=O)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000081936681 177903035 /nfs/dbraw/zinc/90/30/35/177903035.db2.gz JQSLEYWWPMRWND-QNWHQSFQSA-N 0 3 261.431 2.352 10 0 CEAEHN CN[C@H](CS(=O)(=O)c1cccs1)C(C)(C)C ZINC000081926622 177899206 /nfs/dbraw/zinc/89/92/06/177899206.db2.gz NGZZTBFKSLFMAR-SECBINFHSA-N 0 3 261.412 2.156 10 0 CEAEHN Cc1csc([C@@H](C)N[C@H]2CN3CCC2CC3)n1 ZINC000080273504 177635605 /nfs/dbraw/zinc/63/56/05/177635605.db2.gz KISMTYRLUMSPGK-PWSUYJOCSA-N 0 3 251.399 2.196 10 0 CEAEHN COc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cc1O ZINC000093668647 184704564 /nfs/dbraw/zinc/70/45/64/184704564.db2.gz QOPNKJXBGGSEFN-GFCCVEGCSA-N 0 3 292.379 2.005 10 0 CEAEHN Cc1cccc(CS[C@H]2CCC[C@](N)(C(N)=O)C2)c1 ZINC000093779421 184720205 /nfs/dbraw/zinc/72/02/05/184720205.db2.gz HZKHPUCAXICVLP-DZGCQCFKSA-N 0 3 278.421 2.354 10 0 CEAEHN Nc1ccncc1[C@H](O)c1ncc(Cl)cc1Cl ZINC000094199817 184762285 /nfs/dbraw/zinc/76/22/85/184762285.db2.gz AOEHOSZRAKQUSN-NSHDSACASA-N 0 3 270.119 2.447 10 0 CEAEHN CC[C@](C)(C(=O)[C@@H]1CCOC2(CCOCC2)C1)N(C)C ZINC000094394110 184793118 /nfs/dbraw/zinc/79/31/18/184793118.db2.gz YYYBUPHGJABMTB-UKRRQHHQSA-N 0 3 283.412 2.262 10 0 CEAEHN CCCN[C@@H](c1cc(F)ccc1C)[C@H]1CN2CCN1CC2 ZINC000094510906 184812881 /nfs/dbraw/zinc/81/28/81/184812881.db2.gz GEFDKMQANXWNAW-SJORKVTESA-N 0 3 291.414 2.175 10 0 CEAEHN N[C@@H](c1ncc[nH]1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094938035 184897328 /nfs/dbraw/zinc/89/73/28/184897328.db2.gz XPAROIQORYJVOP-WDEREUQCSA-N 0 3 267.398 2.102 10 0 CEAEHN COc1cc(C)c(CN2C[C@H](C)C[C@@H](O)C2)cc1OC ZINC000401510980 533572726 /nfs/dbraw/zinc/57/27/26/533572726.db2.gz VYMHAGIEQPDKRU-BXUZGUMPSA-N 0 3 279.380 2.215 10 0 CEAEHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000245929238 131090005 /nfs/dbraw/zinc/09/00/05/131090005.db2.gz IUKDJZJVCCFDMF-JHJVBQTASA-N 0 3 278.421 2.323 10 0 CEAEHN CC(C)(C)NCc1cccnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907725 135066675 /nfs/dbraw/zinc/06/66/75/135066675.db2.gz IJLYQUAIQLOQFE-OKILXGFUSA-N 0 3 275.396 2.337 10 0 CEAEHN CC(C)NCc1cncc(N2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000091420822 135069441 /nfs/dbraw/zinc/06/94/41/135069441.db2.gz VPYZVOAZQTZAGP-LSDHHAIUSA-N 0 3 290.411 2.122 10 0 CEAEHN CCO[C@@H]1CCCN(c2cncc(CNC(C)(C)C)n2)C1 ZINC000091421051 135069564 /nfs/dbraw/zinc/06/95/64/135069564.db2.gz HYIDASPRVMLTHK-CQSZACIVSA-N 0 3 292.427 2.370 10 0 CEAEHN Cc1[nH]c(-c2ccc3c(c2)CCCN3C)nc(=NN)c1F ZINC000091500613 135071098 /nfs/dbraw/zinc/07/10/98/135071098.db2.gz KYQJCDLFZKCFEB-UHFFFAOYSA-N 0 3 287.342 2.259 10 0 CEAEHN CC[C@](C)(N)C(=O)N1CCCc2cccc(OC)c21 ZINC000094235744 135084482 /nfs/dbraw/zinc/08/44/82/135084482.db2.gz TWAKJZYRTOBNHO-HNNXBMFYSA-N 0 3 262.353 2.102 10 0 CEAEHN CC(C)NCc1cccc(N2CCN3CCCC[C@@H]3C2)n1 ZINC000094443203 135088488 /nfs/dbraw/zinc/08/84/88/135088488.db2.gz LKXRJGZHJFWSLJ-MRXNPFEDSA-N 0 3 288.439 2.254 10 0 CEAEHN COc1ccccc1[C@@H](N)[C@H](N)c1ccccc1OC ZINC000038438649 394498086 /nfs/dbraw/zinc/49/80/86/394498086.db2.gz CTMKVJFFLNHDQE-HZPDHXFCSA-N 0 3 272.348 2.404 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCc3ccccc32)C1 ZINC000246478128 394516617 /nfs/dbraw/zinc/51/66/17/394516617.db2.gz QMRPKXHAZHGVFG-UKRRQHHQSA-N 0 3 287.407 2.487 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2ccc(F)c(C)c2)C1 ZINC000052520354 394558153 /nfs/dbraw/zinc/55/81/53/394558153.db2.gz NGCLGGHMKPDPCX-AWEZNQCLSA-N 0 3 293.386 2.418 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC000246755934 394521366 /nfs/dbraw/zinc/52/13/66/394521366.db2.gz BOLMPGTVJWBEMA-SNPRPXQTSA-N 0 3 288.391 2.008 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc2c1CCC2 ZINC000247460173 394531011 /nfs/dbraw/zinc/53/10/11/394531011.db2.gz QTAIQYXSEFZTBM-ZFWWWQNUSA-N 0 3 284.403 2.484 10 0 CEAEHN CCC(CC)(CNCc1c(C)nn(C)c1OC)OC ZINC000311690740 394538364 /nfs/dbraw/zinc/53/83/64/394538364.db2.gz KIKYFMXVLLSRAY-UHFFFAOYSA-N 0 3 269.389 2.032 10 0 CEAEHN Nc1cccc(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000261618118 394604133 /nfs/dbraw/zinc/60/41/33/394604133.db2.gz BIWOSJAYPDPITD-UHFFFAOYSA-N 0 3 256.353 2.372 10 0 CEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(N[C@H]2CC[C@H]2C2CC2)C1 ZINC000263529548 394629112 /nfs/dbraw/zinc/62/91/12/394629112.db2.gz VSBWFIQHKYFDLZ-CKUJCDMFSA-N 0 3 292.423 2.092 10 0 CEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(N[C@H]2CC[C@H]2C2CC2)C1 ZINC000263529548 394629113 /nfs/dbraw/zinc/62/91/13/394629113.db2.gz VSBWFIQHKYFDLZ-CKUJCDMFSA-N 0 3 292.423 2.092 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000123016914 394821997 /nfs/dbraw/zinc/82/19/97/394821997.db2.gz PFBVLEFHYYWBGK-RUJXFNLJSA-N 0 3 288.435 2.478 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C/c2ccc(Cl)nc2)C1 ZINC000130610885 394891660 /nfs/dbraw/zinc/89/16/60/394891660.db2.gz TZXOGJFYFQWURH-STMXVASLSA-N 0 3 293.798 2.349 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)c1nc(C)cs1)N(C)C ZINC000131938300 394921939 /nfs/dbraw/zinc/92/19/39/394921939.db2.gz CKBMPCRRJAHXLD-MNOVXSKESA-N 0 3 269.414 2.359 10 0 CEAEHN CO[C@@H]1C[C@@H](CO)N(Cc2ccc(OCC3CC3)cc2)C1 ZINC000284693187 394948736 /nfs/dbraw/zinc/94/87/36/394948736.db2.gz ZFZRCWIWBBBCEF-DOTOQJQBSA-N 0 3 291.391 2.057 10 0 CEAEHN C[C@@H]1CCC[C@@H](CN2CCO[C@H](CN(C)C)C2)C1 ZINC000133399809 394951537 /nfs/dbraw/zinc/95/15/37/394951537.db2.gz XDXPYPGKKUCXHD-RBSFLKMASA-N 0 3 254.418 2.075 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC3(CCC3)C2)C1 ZINC000152246310 394990862 /nfs/dbraw/zinc/99/08/62/394990862.db2.gz RNCPFSCGRFFATA-KGLIPLIRSA-N 0 3 279.428 2.301 10 0 CEAEHN CCN1CCC[C@H](NCc2cn(C)nc2C(C)(C)C)C1 ZINC000158139116 395038845 /nfs/dbraw/zinc/03/88/45/395038845.db2.gz RKZPGEBGIIBKHU-AWEZNQCLSA-N 0 3 278.444 2.292 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCOC(C)(C)C ZINC000376514342 395123213 /nfs/dbraw/zinc/12/32/13/395123213.db2.gz YBHMTLPJLLMOQG-UONOGXRCSA-N 0 3 254.418 2.360 10 0 CEAEHN CC[C@H](C)[C@@H](CN1CCN2CCCC[C@H]2C1)OC ZINC000381331870 395173309 /nfs/dbraw/zinc/17/33/09/395173309.db2.gz ZETXYQCPPCNROJ-SOUVJXGZSA-N 0 3 254.418 2.218 10 0 CEAEHN CC[C@@](C)(O)CN1CC[C@]2(C1)OCc1ccccc12 ZINC000189222291 395325003 /nfs/dbraw/zinc/32/50/03/395325003.db2.gz MOBOKXHTSSAIQS-HZPDHXFCSA-N 0 3 261.365 2.279 10 0 CEAEHN CC(C)c1nnc2n1C[C@H](NCc1ccco1)CC2 ZINC000195404772 395465523 /nfs/dbraw/zinc/46/55/23/395465523.db2.gz LMFXWHBNEFPEJV-LLVKDONJSA-N 0 3 260.341 2.099 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)N1CCc2ccsc2C1 ZINC000646274448 396326242 /nfs/dbraw/zinc/32/62/42/396326242.db2.gz HDGOLCWCMWGCJN-LLVKDONJSA-N 0 3 252.383 2.006 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1cc(F)cc(F)c1)N(C)C ZINC000161873205 297449324 /nfs/dbraw/zinc/44/93/24/297449324.db2.gz CJMOKVNRROEIGS-AWEZNQCLSA-N 0 3 284.350 2.354 10 0 CEAEHN CN(C)C[C@H](NC(=O)NCc1ccncc1)c1ccccc1 ZINC000047596711 400180312 /nfs/dbraw/zinc/18/03/12/400180312.db2.gz NNNXWLSLFKIYRD-INIZCTEOSA-N 0 3 298.390 2.184 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1conc1C ZINC000397881913 400559674 /nfs/dbraw/zinc/55/96/74/400559674.db2.gz BDTBQGSMDHYCBM-LSDHHAIUSA-N 0 3 263.385 2.432 10 0 CEAEHN CCOC1CC(CCNCc2c(C)nn(C)c2OC)C1 ZINC000188777737 153069116 /nfs/dbraw/zinc/06/91/16/153069116.db2.gz UVHRIVOXBIFFPM-UHFFFAOYSA-N 0 3 281.400 2.032 10 0 CEAEHN Cc1cncc(CN2CCC(Cn3cccn3)CC2)c1 ZINC000189877237 153110574 /nfs/dbraw/zinc/11/05/74/153110574.db2.gz FDDSNEMCFVMNOS-UHFFFAOYSA-N 0 3 270.380 2.499 10 0 CEAEHN OCC[C@H]1CCN(CCOc2ccccc2Cl)C1 ZINC000227567531 153346939 /nfs/dbraw/zinc/34/69/39/153346939.db2.gz KSORXUNJFPPIDP-GFCCVEGCSA-N 0 3 269.772 2.423 10 0 CEAEHN COc1c(CNC[C@@H]2CCC[C@H]2C)c(C)nn1C ZINC000230663108 153398932 /nfs/dbraw/zinc/39/89/32/153398932.db2.gz OXRWCBCDAHZSKH-PWSUYJOCSA-N 0 3 251.374 2.263 10 0 CEAEHN C[C@@H]1C[C@@H](C(=O)N2CCO[C@H](CN(C)C)C2)CC(C)(C)C1 ZINC000183821396 288449766 /nfs/dbraw/zinc/44/97/66/288449766.db2.gz KBCPZHQOQCXMLR-RBSFLKMASA-N 0 3 296.455 2.238 10 0 CEAEHN C[C@@H]1CCC[C@H](Cc2nc([C@H]3CNCCN3C)no2)C1 ZINC000263129520 154020279 /nfs/dbraw/zinc/02/02/79/154020279.db2.gz BOEBQLYTDXRITE-FRRDWIJNSA-N 0 3 278.400 2.015 10 0 CEAEHN CSc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263179823 154032227 /nfs/dbraw/zinc/03/22/27/154032227.db2.gz GPIRZTSPASSSLP-LBPRGKRZSA-N 0 3 290.392 2.035 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H](C)CC2CCCC2)C1 ZINC000263454827 154093540 /nfs/dbraw/zinc/09/35/40/154093540.db2.gz ANSUXKZTRNNJMA-GRTSSRMGSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H](C)CC2CCCC2)C1 ZINC000263454827 154093544 /nfs/dbraw/zinc/09/35/44/154093544.db2.gz ANSUXKZTRNNJMA-GRTSSRMGSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H](C)CC2CCCC2)C1 ZINC000263454827 154093548 /nfs/dbraw/zinc/09/35/48/154093548.db2.gz ANSUXKZTRNNJMA-GRTSSRMGSA-N 0 3 282.428 2.482 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)CCC2CC2)C1 ZINC000263537239 154121730 /nfs/dbraw/zinc/12/17/30/154121730.db2.gz ZZIJJKPMAWCZGJ-LMWSTFAQSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H](C)CCC2CC2)C1 ZINC000263537239 154121734 /nfs/dbraw/zinc/12/17/34/154121734.db2.gz ZZIJJKPMAWCZGJ-LMWSTFAQSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H](C)CCC2CC2)C1 ZINC000263537239 154121736 /nfs/dbraw/zinc/12/17/36/154121736.db2.gz ZZIJJKPMAWCZGJ-LMWSTFAQSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[C@@H](N[C@@H]1CCCNC1=O)c1cccc(F)c1 ZINC000166566988 162350140 /nfs/dbraw/zinc/35/01/40/162350140.db2.gz QZIIKOUSWIGPHV-CHWSQXEVSA-N 0 3 250.317 2.145 10 0 CEAEHN C[C@@H](Cc1ccccc1F)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000172349719 165059561 /nfs/dbraw/zinc/05/95/61/165059561.db2.gz GEVOMBPYOLYYPS-DZGCQCFKSA-N 0 3 290.382 2.311 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC=CCC1 ZINC000176275517 165159846 /nfs/dbraw/zinc/15/98/46/165159846.db2.gz FRPYJBGLMULFSF-GJZGRUSLSA-N 0 3 279.428 2.468 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000177024676 165185434 /nfs/dbraw/zinc/18/54/34/165185434.db2.gz AIHAAMWFEHAXTB-ZNMIVQPWSA-N 0 3 282.428 2.277 10 0 CEAEHN Cc1nnc([C@H](C)N2CCC[C@H]2Cn2ccnc2C)o1 ZINC000178330587 165234083 /nfs/dbraw/zinc/23/40/83/165234083.db2.gz MLKQGMSKGRMWIF-GWCFXTLKSA-N 0 3 275.356 2.109 10 0 CEAEHN O=C(c1ncccc1C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000180172665 165299883 /nfs/dbraw/zinc/29/98/83/165299883.db2.gz RQGQJVGZOCOWBR-JTQLQIEISA-N 0 3 299.296 2.021 10 0 CEAEHN CCc1ccnc(C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)c1 ZINC000180289663 165305129 /nfs/dbraw/zinc/30/51/29/165305129.db2.gz MMJSPKBFFLZLOO-LSDHHAIUSA-N 0 3 287.407 2.343 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cncc(F)c1)CC2 ZINC000180610358 165315814 /nfs/dbraw/zinc/31/58/14/165315814.db2.gz UAKUUMOAYVEFRH-GWCFXTLKSA-N 0 3 289.358 2.040 10 0 CEAEHN C[C@@H](c1ccccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000173922910 287151677 /nfs/dbraw/zinc/15/16/77/287151677.db2.gz JXXJNLZYMSGHHO-KBPBESRZSA-N 0 3 278.371 2.293 10 0 CEAEHN CCN1c2ccc(CN)cc2N(C)C(=O)c2cccnc21 ZINC000005842779 170145805 /nfs/dbraw/zinc/14/58/05/170145805.db2.gz SZGWHRPEDQDLTG-UHFFFAOYSA-N 0 3 282.347 2.288 10 0 CEAEHN COc1ccc(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)c([O-])c1 ZINC000019843841 170892118 /nfs/dbraw/zinc/89/21/18/170892118.db2.gz OBHDKOICQNXVEM-GFCCVEGCSA-N 0 3 292.379 2.005 10 0 CEAEHN C[C@H](NCCC(=O)N1CCCC1)c1ccc(F)cc1 ZINC000020127229 171012029 /nfs/dbraw/zinc/01/20/29/171012029.db2.gz IGANAFATPIIWCB-LBPRGKRZSA-N 0 3 264.344 2.489 10 0 CEAEHN CCOc1cc2c(cc1CN[C@H](CC)CO)O[C@H](C)C2 ZINC000020194379 171060005 /nfs/dbraw/zinc/06/00/05/171060005.db2.gz OWQWLIXHWNUUBE-BXUZGUMPSA-N 0 3 279.380 2.269 10 0 CEAEHN COc1ccc(CN(C)[C@H](CN)c2ccco2)cc1 ZINC000020225263 171087427 /nfs/dbraw/zinc/08/74/27/171087427.db2.gz WKSOVBUFTTUUCA-CQSZACIVSA-N 0 3 260.337 2.420 10 0 CEAEHN Cc1c(C(=O)Nc2ccccc2[C@@H](C)N)cnn1C ZINC000020251782 171104209 /nfs/dbraw/zinc/10/42/09/171104209.db2.gz UDGJKKXAFCNALQ-SECBINFHSA-N 0 3 258.325 2.001 10 0 CEAEHN N[C@H](COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000020263561 171120840 /nfs/dbraw/zinc/12/08/40/171120840.db2.gz REEXDJKDQZZGDH-CYBMUJFWSA-N 0 3 257.289 2.494 10 0 CEAEHN CCN(CC)[C@H](CN[C@H](C)C(=O)N(C)C)c1ccccc1 ZINC000020310096 171144147 /nfs/dbraw/zinc/14/41/47/171144147.db2.gz MIOGQSKCSIKGEG-GDBMZVCRSA-N 0 3 291.439 2.136 10 0 CEAEHN Cc1c(CN)nnn1-c1cc(Cl)ccc1Cl ZINC000020391470 171180332 /nfs/dbraw/zinc/18/03/32/171180332.db2.gz VQJSXMFHNSKDFI-UHFFFAOYSA-N 0 3 257.124 2.341 10 0 CEAEHN COC[C@@H](C)NCc1cccc(OC)c1OC(F)F ZINC000035161344 172020799 /nfs/dbraw/zinc/02/07/99/172020799.db2.gz UHAPLHLEKQRXDO-SECBINFHSA-N 0 3 275.295 2.421 10 0 CEAEHN O=C(CN[C@@H]1CCCc2ccccc21)N1CCCC1 ZINC000035179720 172032627 /nfs/dbraw/zinc/03/26/27/172032627.db2.gz UIAOCSUHANBWPO-OAHLLOKOSA-N 0 3 258.365 2.276 10 0 CEAEHN COC[C@@H](C)NC1=NC[C@H](c2ccccc2)S1 ZINC000035294483 172105977 /nfs/dbraw/zinc/10/59/77/172105977.db2.gz XLBPOHJHFGTLOW-ZYHUDNBSSA-N 0 3 250.367 2.455 10 0 CEAEHN CCCN(CC)c1nc2sccn2c1CNC ZINC000035430139 172198250 /nfs/dbraw/zinc/19/82/50/172198250.db2.gz ACINQGNTXVCMTN-UHFFFAOYSA-N 0 3 252.387 2.352 10 0 CEAEHN N[C@@H]1CC(=O)N(c2ccccc2SC(F)F)C1 ZINC000035679776 172350697 /nfs/dbraw/zinc/35/06/97/172350697.db2.gz XOMCWISJGOVENX-SSDOTTSWSA-N 0 3 258.293 2.065 10 0 CEAEHN CN(Cc1ccco1)C[C@@H]1Cc2ccccc2CN1 ZINC000035702308 172370201 /nfs/dbraw/zinc/37/02/01/172370201.db2.gz KLDVKEQXEIOJRA-HNNXBMFYSA-N 0 3 256.349 2.426 10 0 CEAEHN CN[C@H]1CCCS(=O)(=O)c2ccc(Cl)cc21 ZINC000035760876 172399629 /nfs/dbraw/zinc/39/96/29/172399629.db2.gz HAHKDNXZSYFBTG-JTQLQIEISA-N 0 3 259.758 2.168 10 0 CEAEHN CCCOCCCC(=O)Nc1ccccc1CN ZINC000037024802 172888856 /nfs/dbraw/zinc/88/88/56/172888856.db2.gz STJIOQDAWYGNPY-UHFFFAOYSA-N 0 3 250.342 2.291 10 0 CEAEHN CC[C@H](C)CN(C)CC(=O)Nc1cc(N)ccc1C ZINC000037172325 173005581 /nfs/dbraw/zinc/00/55/81/173005581.db2.gz FEHRHKDOPPSGAK-NSHDSACASA-N 0 3 263.385 2.494 10 0 CEAEHN Ic1ccc(CNC2CC2)o1 ZINC000037183780 173015920 /nfs/dbraw/zinc/01/59/20/173015920.db2.gz NAERNMWBINISDN-UHFFFAOYSA-N 0 3 263.078 2.136 10 0 CEAEHN COC(=O)c1ccccc1CNCCc1ccco1 ZINC000037258943 173069363 /nfs/dbraw/zinc/06/93/63/173069363.db2.gz RQJGCPZWRCCDDB-UHFFFAOYSA-N 0 3 259.305 2.399 10 0 CEAEHN CC(C)C[C@H](C)NCc1ccc(C(N)=O)cc1F ZINC000037264871 173074203 /nfs/dbraw/zinc/07/42/03/173074203.db2.gz CPJDLNJGRQPJRS-JTQLQIEISA-N 0 3 252.333 2.449 10 0 CEAEHN COC(=O)CCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000037395198 173175134 /nfs/dbraw/zinc/17/51/34/173175134.db2.gz ZHENQNPUVDFMDR-UHFFFAOYSA-N 0 3 299.754 2.154 10 0 CEAEHN CO[C@@H]1CN[C@H](c2nc3cc(Br)ccc3[nH]2)C1 ZINC000037441254 173211113 /nfs/dbraw/zinc/21/11/13/173211113.db2.gz OANIAVVLVXYVSE-KWQFWETISA-N 0 3 296.168 2.375 10 0 CEAEHN CC(C)N[C@@](C)(C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000037446448 173213482 /nfs/dbraw/zinc/21/34/82/173213482.db2.gz HJBSPPKBQPPKJK-GFCCVEGCSA-N 0 3 274.286 2.404 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ccccc1F ZINC000037764201 173691108 /nfs/dbraw/zinc/69/11/08/173691108.db2.gz IWXAHJQIUDEGFK-GBIKHYSHSA-N 0 3 252.333 2.376 10 0 CEAEHN CCC[C@@H](C)NC(=O)[C@@H](C)NCCc1ccco1 ZINC000037980851 173940617 /nfs/dbraw/zinc/94/06/17/173940617.db2.gz PYFNRONBOOQXFU-VXGBXAGGSA-N 0 3 252.358 2.105 10 0 CEAEHN C[C@@H](CNC(=O)c1cc(F)ccc1N)N1CCCCC1 ZINC000038029414 174020214 /nfs/dbraw/zinc/02/02/14/174020214.db2.gz QJMJFBBVLQBYCT-NSHDSACASA-N 0 3 279.359 2.012 10 0 CEAEHN Cc1cc(C)c([C@H](C)NC[C@H]2COCCO2)c(C)n1 ZINC000038061087 174072813 /nfs/dbraw/zinc/07/28/13/174072813.db2.gz OWLARFVRFOUMKJ-JSGCOSHPSA-N 0 3 264.369 2.073 10 0 CEAEHN CC[C@H](C)N[C@@H](C(N)=O)c1ccc(OC(F)F)cc1 ZINC000038065273 174076106 /nfs/dbraw/zinc/07/61/06/174076106.db2.gz RDMSQJKHGTWRIA-GZMMTYOYSA-N 0 3 272.295 2.203 10 0 CEAEHN C[C@H](NCC[C@H]1CCCO1)C(=O)Nc1ccccc1 ZINC000038097359 174110905 /nfs/dbraw/zinc/11/09/05/174110905.db2.gz FEDLPFLXYZEFGV-GXTWGEPZSA-N 0 3 262.353 2.172 10 0 CEAEHN Cc1ccc(OC[C@@H](C)N[C@@H](C)C(=O)NC(C)C)cc1 ZINC000040499826 174296712 /nfs/dbraw/zinc/29/67/12/174296712.db2.gz GXERUMXZLMXICS-KGLIPLIRSA-N 0 3 278.396 2.265 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000040630169 174357712 /nfs/dbraw/zinc/35/77/12/174357712.db2.gz OXEYEQPNKPRULC-MNOVXSKESA-N 0 3 288.269 2.021 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3cc(F)ccc3F)c[nH]2)C1 ZINC000040637689 174361723 /nfs/dbraw/zinc/36/17/23/174361723.db2.gz OPOYRNCUJVZWEG-SKDRFNHKSA-N 0 3 279.290 2.404 10 0 CEAEHN Cc1nc([C@H](C)NCCc2nccn2C)c(C)s1 ZINC000040638973 174363285 /nfs/dbraw/zinc/36/32/85/174363285.db2.gz JXMYJWPVXRGRNH-VIFPVBQESA-N 0 3 264.398 2.387 10 0 CEAEHN CCN(CC)C(=O)c1cc(N[C@@H]2CCCN(C)C2)ccn1 ZINC000040673459 174372292 /nfs/dbraw/zinc/37/22/92/174372292.db2.gz BVQTVGISSFZRJM-CQSZACIVSA-N 0 3 290.411 2.070 10 0 CEAEHN C[C@@H]1CC(=O)N(C[C@@H](N)c2cccc3ccccc32)C1=O ZINC000040739845 174390555 /nfs/dbraw/zinc/39/05/55/174390555.db2.gz ZMRDTPQECKMMNE-IAQYHMDHSA-N 0 3 282.343 2.235 10 0 CEAEHN O[C@H]1CCN[C@@H](c2cccc(Br)c2)C1 ZINC000041326341 174522841 /nfs/dbraw/zinc/52/28/41/174522841.db2.gz OSMTWQRMZMZHEN-WDEREUQCSA-N 0 3 256.143 2.235 10 0 CEAEHN CN(C(=O)c1cccc(F)c1Cl)[C@@H](CN)C(F)(F)F ZINC000662978949 414816516 /nfs/dbraw/zinc/81/65/16/414816516.db2.gz JZFDLZKLYSVAJJ-QMMMGPOBSA-N 0 3 298.667 2.441 10 0 CEAEHN COc1cc(F)cc(CN[C@H]2CCC[C@@H](O)C2)c1 ZINC000312250819 414862682 /nfs/dbraw/zinc/86/26/82/414862682.db2.gz BFWRUKFNMRNSEG-QWHCGFSZSA-N 0 3 253.317 2.227 10 0 CEAEHN CCCn1c(CNC2CC(CO)C2)nc2ccccc21 ZINC000657812347 415089573 /nfs/dbraw/zinc/08/95/73/415089573.db2.gz JEAGSUOHQZWASD-UHFFFAOYSA-N 0 3 273.380 2.307 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@H](OC2CCC2)C1 ZINC000653812033 415115912 /nfs/dbraw/zinc/11/59/12/415115912.db2.gz ADJHVQPLJSVWHB-HOCLYGCPSA-N 0 3 285.428 2.198 10 0 CEAEHN Cc1ccsc1[C@H](CN)Oc1ccc(C(N)=O)cc1 ZINC000043250059 174993766 /nfs/dbraw/zinc/99/37/66/174993766.db2.gz CWWUXKDTHPEEKS-LBPRGKRZSA-N 0 3 276.361 2.234 10 0 CEAEHN N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043299976 175000733 /nfs/dbraw/zinc/00/07/33/175000733.db2.gz NBZSYMMJUZUFBA-GZMMTYOYSA-N 0 3 294.203 2.428 10 0 CEAEHN CCN[C@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300806 175001387 /nfs/dbraw/zinc/00/13/87/175001387.db2.gz YECNAPJXNOUTNK-DGCLKSJQSA-N 0 3 287.812 2.425 10 0 CEAEHN CCN[C@@H](c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301044 175002190 /nfs/dbraw/zinc/00/21/90/175002190.db2.gz LLBKZBYUAXVOAB-GJZGRUSLSA-N 0 3 281.421 2.389 10 0 CEAEHN CC(=O)Nc1ccccc1O[C@H](CN)c1ccco1 ZINC000043337048 175012426 /nfs/dbraw/zinc/01/24/26/175012426.db2.gz ZAWFVWDFRHNBAO-CQSZACIVSA-N 0 3 260.293 2.317 10 0 CEAEHN C[C@H](N)[C@@H](Oc1cccc(S(C)(=O)=O)c1)c1ccco1 ZINC000043337851 175012818 /nfs/dbraw/zinc/01/28/18/175012818.db2.gz LARCWPACZXGZNY-IINYFYTJSA-N 0 3 295.360 2.150 10 0 CEAEHN CN[C@@H](c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043389109 175033067 /nfs/dbraw/zinc/03/30/67/175033067.db2.gz UBFWWMZWYDNIHD-CABZTGNLSA-N 0 3 291.775 2.174 10 0 CEAEHN CCN(CC)C[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000043809021 175109723 /nfs/dbraw/zinc/10/97/23/175109723.db2.gz KHCLHSTXVFVUQY-CQSZACIVSA-N 0 3 278.396 2.450 10 0 CEAEHN CN[C@H](CN1CCCCC1)c1cc(OC)ccc1OC ZINC000043813977 175111915 /nfs/dbraw/zinc/11/19/15/175111915.db2.gz AGLXMZOZBJGKBP-OAHLLOKOSA-N 0 3 278.396 2.450 10 0 CEAEHN CCN[C@@H](CN(C)C)c1ccc2c(c1)OCCCO2 ZINC000043816094 175112533 /nfs/dbraw/zinc/11/25/33/175112533.db2.gz BMIVJSCVCXEPIA-ZDUSSCGKSA-N 0 3 264.369 2.060 10 0 CEAEHN CCOc1ccccc1[C@@H](CN1CCOC[C@@H]1C)NC ZINC000043891158 175118081 /nfs/dbraw/zinc/11/80/81/175118081.db2.gz BXMZDAHPOMFTSS-DZGCQCFKSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@H](CN1CCOC[C@@H]1C)c1cccc(OC)c1 ZINC000043891476 175118199 /nfs/dbraw/zinc/11/81/99/175118199.db2.gz OCEYZBKIUGOJQM-XJKSGUPXSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@@H]1c2ccccc2OC[C@@H]1N1CCOC[C@@H]1C ZINC000043891910 175118726 /nfs/dbraw/zinc/11/87/26/175118726.db2.gz GJDCCPWEKXLHBS-JLJPHGGASA-N 0 3 290.407 2.209 10 0 CEAEHN CCN(C[C@@H]1CCCO1)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043966811 175127889 /nfs/dbraw/zinc/12/78/89/175127889.db2.gz XXOHOWAIUZKHMY-LXZKKBNFSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@H](CN(CC)CCOC)c1ccc2c(c1)OCO2 ZINC000043968650 175129440 /nfs/dbraw/zinc/12/94/40/175129440.db2.gz BVCJHDKYIUKYJE-CQSZACIVSA-N 0 3 294.395 2.034 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N(CC)CCOC ZINC000043968704 175129687 /nfs/dbraw/zinc/12/96/87/175129687.db2.gz LZOIUMZTSKXZFN-ZBFHGGJFSA-N 0 3 278.396 2.067 10 0 CEAEHN COCCN(CCOC)C[C@@H](O)c1c(C)cc(C)cc1C ZINC000044176902 175149850 /nfs/dbraw/zinc/14/98/50/175149850.db2.gz IOIBEPYYZVSBKD-MRXNPFEDSA-N 0 3 295.423 2.240 10 0 CEAEHN Cc1cccnc1NC(=O)[C@H](CN)Cc1ccccc1 ZINC000044799305 175255629 /nfs/dbraw/zinc/25/56/29/175255629.db2.gz ZOUMDUJSEKDGEQ-AWEZNQCLSA-N 0 3 269.348 2.146 10 0 CEAEHN CC[C@@H](C)N(CC)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044800648 175255682 /nfs/dbraw/zinc/25/56/82/175255682.db2.gz UCZYTBPMQUYEEH-UKRRQHHQSA-N 0 3 262.397 2.451 10 0 CEAEHN CCN(CC(N)=S)Cc1ccc2ccccc2n1 ZINC000045063357 175299102 /nfs/dbraw/zinc/29/91/02/175299102.db2.gz UHOVTKZNCAJDAM-UHFFFAOYSA-N 0 3 259.378 2.343 10 0 CEAEHN Cn1ccnc1CCn1c(N)nc2cccc(Cl)c21 ZINC000045135998 175313404 /nfs/dbraw/zinc/31/34/04/175313404.db2.gz IGNUOZQTTBQJMP-UHFFFAOYSA-N 0 3 275.743 2.248 10 0 CEAEHN CCCN(C[C@](NCC)(C(N)=O)c1ccccc1)C(C)C ZINC000045266709 175339337 /nfs/dbraw/zinc/33/93/37/175339337.db2.gz ICWXHAHNZVSURI-QGZVFWFLSA-N 0 3 291.439 2.097 10 0 CEAEHN CCCN[C@](CN(CC)CCC)(C(N)=O)c1ccccc1 ZINC000045267466 175340145 /nfs/dbraw/zinc/34/01/45/175340145.db2.gz GMSNNYZNSWZQMJ-KRWDZBQOSA-N 0 3 291.439 2.099 10 0 CEAEHN CCOC(=O)[C@@](N)(CN(C)[C@@H](C)C1CC1)c1ccccc1 ZINC000045270185 175341925 /nfs/dbraw/zinc/34/19/25/175341925.db2.gz QZDHFYXMECMNEE-SUMWQHHRSA-N 0 3 290.407 2.134 10 0 CEAEHN CCCCN(C[C@@](C)(NC1CC1)C(=O)OCC)C1CC1 ZINC000045276287 175346456 /nfs/dbraw/zinc/34/64/56/175346456.db2.gz FGPWEYKQPPJXTC-MRXNPFEDSA-N 0 3 282.428 2.325 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277391 175347106 /nfs/dbraw/zinc/34/71/06/175347106.db2.gz ONEOWTULMVTXIX-ZBFHGGJFSA-N 0 3 282.428 2.484 10 0 CEAEHN CCN[C@@](C)(CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000045277391 175347107 /nfs/dbraw/zinc/34/71/07/175347107.db2.gz ONEOWTULMVTXIX-ZBFHGGJFSA-N 0 3 282.428 2.484 10 0 CEAEHN CCN[C@@](C)(CC[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045279066 175349268 /nfs/dbraw/zinc/34/92/68/175349268.db2.gz ULRUJWPMODOJAX-GUTXKFCHSA-N 0 3 270.417 2.340 10 0 CEAEHN CCN[C@@](C)(CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000045279066 175349269 /nfs/dbraw/zinc/34/92/69/175349269.db2.gz ULRUJWPMODOJAX-GUTXKFCHSA-N 0 3 270.417 2.340 10 0 CEAEHN CCOC(=O)[C@@](C)(CN(C)[C@@H](C)CC(C)C)NC1CC1 ZINC000045279979 175350125 /nfs/dbraw/zinc/35/01/25/175350125.db2.gz RZGMFAKPLDJCLO-XJKSGUPXSA-N 0 3 284.444 2.427 10 0 CEAEHN CCCC[N@H+](CC[C@](C)(NC)C(=O)[O-])[C@@H](C)CC ZINC000045282593 175352747 /nfs/dbraw/zinc/35/27/47/175352747.db2.gz IVCIBOFFDXRJSH-JSGCOSHPSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCC[N@@H+](CC[C@](C)(NC)C(=O)[O-])[C@@H](C)CC ZINC000045282593 175352748 /nfs/dbraw/zinc/35/27/48/175352748.db2.gz IVCIBOFFDXRJSH-JSGCOSHPSA-N 0 3 258.406 2.340 10 0 CEAEHN CCN(CCCC[C@@](C)(N)C(N)=O)c1ccccc1C ZINC000045369879 175363595 /nfs/dbraw/zinc/36/35/95/175363595.db2.gz DRPCBLVSRIHUCZ-MRXNPFEDSA-N 0 3 277.412 2.194 10 0 CEAEHN CCCN[C@H](CN1CCCC[C@@H]1CC)C(=O)OCC ZINC000045384024 175371130 /nfs/dbraw/zinc/37/11/30/175371130.db2.gz FEYJHGWABJVBQQ-UONOGXRCSA-N 0 3 270.417 2.182 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cc(Cl)ccc2OC)CCCN1 ZINC000659270840 415482141 /nfs/dbraw/zinc/48/21/41/415482141.db2.gz HZFLSLQRWQHWRJ-CQSZACIVSA-N 0 3 298.770 2.056 10 0 CEAEHN C[C@@H](C(N)=S)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000070376138 175899870 /nfs/dbraw/zinc/89/98/70/175899870.db2.gz UYFDKQUYISARES-STQMWFEESA-N 0 3 277.437 2.040 10 0 CEAEHN C[C@H](NC[C@H]1CCC(=O)N1)c1ccc(Cl)s1 ZINC000070680431 176001409 /nfs/dbraw/zinc/00/14/09/176001409.db2.gz OIGSOUZLEJKECD-JGVFFNPUSA-N 0 3 258.774 2.331 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000070824450 176007556 /nfs/dbraw/zinc/00/75/56/176007556.db2.gz UUPRWXWIYKBQFR-KOLCDFICSA-N 0 3 259.136 2.272 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070824599 176007882 /nfs/dbraw/zinc/00/78/82/176007882.db2.gz JTMMOFRMUFNJSL-MWLCHTKSSA-N 0 3 259.136 2.272 10 0 CEAEHN Cc1ncsc1CNC1=NC[C@H](C2CC2)S1 ZINC000070889381 176010507 /nfs/dbraw/zinc/01/05/07/176010507.db2.gz GDRGGNWKNXGGBD-SNVBAGLBSA-N 0 3 253.396 2.423 10 0 CEAEHN Cc1ccc([C@@H]2[C@H](N)CCC(=O)N2C2CC2)s1 ZINC000070987551 176018559 /nfs/dbraw/zinc/01/85/59/176018559.db2.gz CHMAWRNOFBBWMD-MFKMUULPSA-N 0 3 250.367 2.210 10 0 CEAEHN CC(C)N1C(=O)CC[C@H](N)[C@H]1c1cccc(F)c1F ZINC000070987017 176018770 /nfs/dbraw/zinc/01/87/70/176018770.db2.gz FFKABRZRJDQVRK-SMDDNHRTSA-N 0 3 268.307 2.364 10 0 CEAEHN Cc1nn(C)c(Oc2cncc(Br)c2)c1CN ZINC000071028961 176021231 /nfs/dbraw/zinc/02/12/31/176021231.db2.gz ZTLUTARNBZLETF-UHFFFAOYSA-N 0 3 297.156 2.137 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1Cc1ccccc1F ZINC000071032838 176023457 /nfs/dbraw/zinc/02/34/57/176023457.db2.gz TXRNKANYSSKWOH-CQSZACIVSA-N 0 3 262.328 2.069 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1Cc1ccccc1Cl ZINC000071037821 176026487 /nfs/dbraw/zinc/02/64/87/176026487.db2.gz RRGXCBWMSSJMDY-ZDUSSCGKSA-N 0 3 264.756 2.193 10 0 CEAEHN Cc1cccc(CCN2CCC[C@H](NC3CC3)C2=O)c1 ZINC000071042008 176028659 /nfs/dbraw/zinc/02/86/59/176028659.db2.gz UVAHRSBLRBUQEZ-INIZCTEOSA-N 0 3 272.392 2.281 10 0 CEAEHN CCN[C@@H]1CCCN(c2ccc3ncccc3c2)C1=O ZINC000071042573 176028725 /nfs/dbraw/zinc/02/87/25/176028725.db2.gz WCDDGBBRPRTXQA-OAHLLOKOSA-N 0 3 269.348 2.340 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(C)C)CCC[C@@H](CC)C1 ZINC000071126003 176035578 /nfs/dbraw/zinc/03/55/78/176035578.db2.gz WSGUIIVJCYAPIS-UKRRQHHQSA-N 0 3 270.417 2.040 10 0 CEAEHN Cc1c(C)c(N2CCC[C@@H]2CN(C)C)nnc1Cl ZINC000071187118 176060767 /nfs/dbraw/zinc/06/07/67/176060767.db2.gz POYYPNOTWPZTAC-LLVKDONJSA-N 0 3 268.792 2.277 10 0 CEAEHN C[C@H](C(=O)c1ccc(F)cc1)N(C)C[C@@H]1CCN(C)C1 ZINC000071189782 176065290 /nfs/dbraw/zinc/06/52/90/176065290.db2.gz YFNOMSWPIKDINY-CHWSQXEVSA-N 0 3 278.371 2.280 10 0 CEAEHN C[C@H](C(=O)c1ccc(F)cc1F)N(C)C[C@@H]1CCN(C)C1 ZINC000071189882 176065807 /nfs/dbraw/zinc/06/58/07/176065807.db2.gz XXYZMBAIZFZBQI-VXGBXAGGSA-N 0 3 296.361 2.420 10 0 CEAEHN CN(C[C@@H]1CCN(C)C1)c1c(F)cc(C=O)cc1F ZINC000071189486 176066003 /nfs/dbraw/zinc/06/60/03/176066003.db2.gz RGDSNMUHLGCTJK-SNVBAGLBSA-N 0 3 268.307 2.165 10 0 CEAEHN CN(Cc1ccc(F)cc1C(N)=S)[C@@H]1CCSC1 ZINC000071265764 176099000 /nfs/dbraw/zinc/09/90/00/176099000.db2.gz VGGWTTXTPITMFQ-LLVKDONJSA-N 0 3 284.425 2.397 10 0 CEAEHN COc1cc(CNC2=NC[C@@H](C3CC3)S2)ccn1 ZINC000071308118 176116407 /nfs/dbraw/zinc/11/64/07/176116407.db2.gz LXWRJVZBAGWRGX-NSHDSACASA-N 0 3 263.366 2.061 10 0 CEAEHN Nc1ccn(CCCN2CCC[C@H]2c2ccncc2)n1 ZINC000071352065 176134856 /nfs/dbraw/zinc/13/48/56/176134856.db2.gz KYZDDZIJJXARNM-AWEZNQCLSA-N 0 3 271.368 2.088 10 0 CEAEHN CCN1CCC(N(C)C(=O)c2ccc(N)c(Cl)c2)CC1 ZINC000071395319 176149540 /nfs/dbraw/zinc/14/95/40/176149540.db2.gz IGYGWWURNBMDPZ-UHFFFAOYSA-N 0 3 295.814 2.479 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)Oc1ccc(C)cc1CN ZINC000071403399 176154635 /nfs/dbraw/zinc/15/46/35/176154635.db2.gz HPPASEOIZNEYEL-LBPRGKRZSA-N 0 3 264.369 2.089 10 0 CEAEHN CCC(CC)NC(=O)COc1ccc(C)cc1CNC ZINC000071403495 176155055 /nfs/dbraw/zinc/15/50/55/176155055.db2.gz JZOXLKIYVDCPPT-UHFFFAOYSA-N 0 3 278.396 2.398 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@H](C)C(=O)NCC ZINC000071406065 176155903 /nfs/dbraw/zinc/15/59/03/176155903.db2.gz UYQXXDWKMYEFML-GFCCVEGCSA-N 0 3 264.369 2.008 10 0 CEAEHN CO[C@](C)(CN)c1cc(Br)cs1 ZINC000071571766 176197483 /nfs/dbraw/zinc/19/74/83/176197483.db2.gz FLKBRCFBJQACHV-MRVPVSSYSA-N 0 3 250.161 2.331 10 0 CEAEHN N[C@@H](CO)c1ccc(Br)cc1Cl ZINC000072199135 176339574 /nfs/dbraw/zinc/33/95/74/176339574.db2.gz RFVRBZJGTWJDRC-QMMMGPOBSA-N 0 3 250.523 2.095 10 0 CEAEHN CC1(C)CO[C@H]2CCN(Cc3ccccc3)C[C@@H]2N1 ZINC000076698270 177061551 /nfs/dbraw/zinc/06/15/51/177061551.db2.gz PQPJSZMOPKDYBI-GJZGRUSLSA-N 0 3 260.381 2.028 10 0 CEAEHN CSC[C@@H](C)NC(=O)N[C@H](CC(C)C)CN(C)C ZINC000077570040 177281585 /nfs/dbraw/zinc/28/15/85/177281585.db2.gz HSUSAANHEVCMIW-VXGBXAGGSA-N 0 3 275.462 2.013 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC=CCC1 ZINC000077570014 177281755 /nfs/dbraw/zinc/28/17/55/177281755.db2.gz BXPZSWKBXMJLAP-ZIAGYGMSSA-N 0 3 267.417 2.371 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(F)cc2)C1 ZINC000078516210 177348887 /nfs/dbraw/zinc/34/88/87/177348887.db2.gz SLRXYEDUQIFFMQ-WFASDCNBSA-N 0 3 266.360 2.197 10 0 CEAEHN CCNCc1nc(-c2ccc(CCOC)cc2)c[nH]1 ZINC000078900139 177403561 /nfs/dbraw/zinc/40/35/61/177403561.db2.gz VCZWTMDZKIEAAU-UHFFFAOYSA-N 0 3 259.353 2.375 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccccc2COC)C1 ZINC000194339815 270296798 /nfs/dbraw/zinc/29/67/98/270296798.db2.gz DOBZZIGKAPCHOE-AWEZNQCLSA-N 0 3 291.395 2.439 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399094937 270365932 /nfs/dbraw/zinc/36/59/32/270365932.db2.gz XYCJJLPQYUFNEE-IAQYHMDHSA-N 0 3 276.380 2.308 10 0 CEAEHN C[C@@H]1CC(CCN2CCNC(=O)CC2)C[C@@H](C)C1 ZINC000089124505 274282959 /nfs/dbraw/zinc/28/29/59/274282959.db2.gz UUAOKOLQOVWLBK-STQMWFEESA-N 0 3 252.402 2.271 10 0 CEAEHN CC1(C)Cc2occc2[C@H](N[C@H]2CCc3ncnn3C2)C1 ZINC000180601139 276152338 /nfs/dbraw/zinc/15/23/38/276152338.db2.gz XHGTZWKCFURLOO-WCQYABFASA-N 0 3 286.379 2.489 10 0 CEAEHN CCC[C@@H](C(=O)N(C)Cc1ncc(CC)s1)N(C)C ZINC000128767001 276268694 /nfs/dbraw/zinc/26/86/94/276268694.db2.gz MKHJFUQRFPJUEE-LBPRGKRZSA-N 0 3 283.441 2.394 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H]3CCC[C@@H]32)C1 ZINC000174237536 276374784 /nfs/dbraw/zinc/37/47/84/276374784.db2.gz GFBHZXQRXCRIQB-ILXRZTDVSA-N 0 3 279.428 2.445 10 0 CEAEHN CC[C@@H](COC)N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000079733175 276428139 /nfs/dbraw/zinc/42/81/39/276428139.db2.gz WLOWUFVOSMCNOT-AAEUAGOBSA-N 0 3 262.353 2.109 10 0 CEAEHN CC(C)CCCN1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263517180 277351009 /nfs/dbraw/zinc/35/10/09/277351009.db2.gz PDRHZCFBQHANGU-CQSZACIVSA-N 0 3 270.417 2.294 10 0 CEAEHN CC(C)CCCN1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263517180 277351010 /nfs/dbraw/zinc/35/10/10/277351010.db2.gz PDRHZCFBQHANGU-CQSZACIVSA-N 0 3 270.417 2.294 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C)N(C)C ZINC000132962376 279987247 /nfs/dbraw/zinc/98/72/47/279987247.db2.gz KDUHTDLIOARKRV-RRFJBIMHSA-N 0 3 284.444 2.284 10 0 CEAEHN C[C@H]1Cc2cc(Cl)cc(N3CCNCC3)c2O1 ZINC000211795860 280022045 /nfs/dbraw/zinc/02/20/45/280022045.db2.gz DKMOWZGMQOQESA-VIFPVBQESA-N 0 3 252.745 2.073 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1Nc1ccnc2ccccc21 ZINC000281660557 280042468 /nfs/dbraw/zinc/04/24/68/280042468.db2.gz ONMCJLTUXBOIFU-ZYHUDNBSSA-N 0 3 255.321 2.314 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000245509821 280246650 /nfs/dbraw/zinc/24/66/50/280246650.db2.gz KRXUXKVYPBYYGR-SMDDNHRTSA-N 0 3 264.413 2.268 10 0 CEAEHN CCC[C@@H](C(=O)NCCN1CCCC[C@H]1CC)N(C)C ZINC000245522369 280247322 /nfs/dbraw/zinc/24/73/22/280247322.db2.gz UJRKSRLAVWTOGK-CABCVRRESA-N 0 3 283.460 2.097 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@H](C)CC[C@H]2C)C1 ZINC000245675120 280255682 /nfs/dbraw/zinc/25/56/82/280255682.db2.gz FTOYYESCZGGULK-MCIONIFRSA-N 0 3 267.417 2.301 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN([C@@H]2C=CCCC2)C1 ZINC000246215407 280280425 /nfs/dbraw/zinc/28/04/25/280280425.db2.gz CATQJHXFWCETAQ-UONOGXRCSA-N 0 3 250.386 2.476 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246505085 280297718 /nfs/dbraw/zinc/29/77/18/280297718.db2.gz SQOBUBOOWGSIJQ-MQYQWHSLSA-N 0 3 252.402 2.125 10 0 CEAEHN CCN(C[C@H]1COc2ccccc2O1)C[C@](C)(O)CC ZINC000249428539 280396825 /nfs/dbraw/zinc/39/68/25/280396825.db2.gz YSHONJMHQUUXSL-XJKSGUPXSA-N 0 3 279.380 2.309 10 0 CEAEHN CCc1ccc([C@H]2CCCCN2C(=O)CNC)o1 ZINC000193131103 281428909 /nfs/dbraw/zinc/42/89/09/281428909.db2.gz ZPCNQHILKGBPMM-GFCCVEGCSA-N 0 3 250.342 2.115 10 0 CEAEHN COCCN1CCN(CCc2ccc(F)c(F)c2)C[C@@H]1C ZINC000152049596 289075674 /nfs/dbraw/zinc/07/56/74/289075674.db2.gz FNDWUROLRZJMSG-ZDUSSCGKSA-N 0 3 298.377 2.160 10 0 CEAEHN CCC[C@H](C(=O)NC[C@@]1(C)CCCS1)N(C)C ZINC000154212846 289138460 /nfs/dbraw/zinc/13/84/60/289138460.db2.gz XPEDZQSHIOEJJK-DGCLKSJQSA-N 0 3 258.431 2.119 10 0 CEAEHN CCc1onc(C)c1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155489260 289175674 /nfs/dbraw/zinc/17/56/74/289175674.db2.gz CFVAACFGOUWQTD-JQWIXIFHSA-N 0 3 279.384 2.004 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1c(F)cccc1F ZINC000245730746 289287886 /nfs/dbraw/zinc/28/78/86/289287886.db2.gz YRRPKYWIZKWDGU-RYUDHWBXSA-N 0 3 294.345 2.375 10 0 CEAEHN CCC[C@@H](C(=O)N1CCC(OCC(C)C)CC1)N(C)C ZINC000161799830 297448639 /nfs/dbraw/zinc/44/86/39/297448639.db2.gz RSFSRVGZTKYQCK-HNNXBMFYSA-N 0 3 284.444 2.380 10 0 CEAEHN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000182282351 302492683 /nfs/dbraw/zinc/49/26/83/302492683.db2.gz ZZLRGMRISUKUFB-BXUZGUMPSA-N 0 3 294.443 2.223 10 0 CEAEHN COc1cc(C)ccc1[C@H](C)N[C@H]1CCC(=O)N[C@H]1C ZINC000392873815 329059551 /nfs/dbraw/zinc/05/95/51/329059551.db2.gz FOUQFAASTYABNO-OBJOEFQTSA-N 0 3 276.380 2.321 10 0 CEAEHN COC[C@@](C)(O)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000394586628 329127682 /nfs/dbraw/zinc/12/76/82/329127682.db2.gz JZAXRMIOFXSNKJ-ZANVPECISA-N 0 3 259.296 2.013 10 0 CEAEHN C[C@@H]1CCCN([C@H]2CNC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000536960844 330384192 /nfs/dbraw/zinc/38/41/92/330384192.db2.gz UEYACEUEEIQLQV-HZSPNIEDSA-N 0 3 282.428 2.038 10 0 CEAEHN CC(C)(C)NCc1nccn1Cc1cscn1 ZINC000051015384 518769064 /nfs/dbraw/zinc/76/90/64/518769064.db2.gz COXBRVHVWXXVEO-UHFFFAOYSA-N 0 3 250.371 2.276 10 0 CEAEHN CC(C)CN1CCN(CC[C@H](O)C(C)(C)C)CC1 ZINC000055082356 519726100 /nfs/dbraw/zinc/72/61/00/519726100.db2.gz SEYUJCQGRBWXOR-AWEZNQCLSA-N 0 3 256.434 2.057 10 0 CEAEHN CCCN[C@@H](CCN1CCC(C)(C)CC1)C(=O)OCC ZINC000062532955 519998367 /nfs/dbraw/zinc/99/83/67/519998367.db2.gz OJUZDQICYSJURE-AWEZNQCLSA-N 0 3 284.444 2.430 10 0 CEAEHN CCC[NH2+][C@H](CCN1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443521 520077467 /nfs/dbraw/zinc/07/74/67/520077467.db2.gz WPQQQQKNYFKJOB-RWMBFGLXSA-N 0 3 256.390 2.092 10 0 CEAEHN CCCCCN(C)C[C@@](NC1CC1)(C(=O)OC)C1CC1 ZINC000069098331 520151200 /nfs/dbraw/zinc/15/12/00/520151200.db2.gz PDKZTAHJULSERS-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCN[C@H](CCOC)c1ccc(OC)cc1OC ZINC000055232914 520191845 /nfs/dbraw/zinc/19/18/45/520191845.db2.gz AGKAGVOQNRNRKK-CYBMUJFWSA-N 0 3 253.342 2.391 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1ccc(OC)cc1N ZINC000069428530 521301415 /nfs/dbraw/zinc/30/14/15/521301415.db2.gz MVQPUHADBNYHMO-UHFFFAOYSA-N 0 3 279.384 2.336 10 0 CEAEHN COC[C@@H](C)N(C)Cc1cc(CNC(C)(C)C)no1 ZINC000052511607 522221096 /nfs/dbraw/zinc/22/10/96/522221096.db2.gz PXABGGPDNKOISM-LLVKDONJSA-N 0 3 269.389 2.029 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(Br)cc1C ZINC000052395612 522438323 /nfs/dbraw/zinc/43/83/23/522438323.db2.gz IREPBJNBJXRYSG-MRVPVSSYSA-N 0 3 271.158 2.304 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1nc(N)ccc1Cl ZINC000050707868 519340943 /nfs/dbraw/zinc/34/09/43/519340943.db2.gz LRXUCVNITZXAJZ-SNVBAGLBSA-N 0 3 298.818 2.023 10 0 CEAEHN CC(C)CN1CCN(C[C@@](C)(CO)c2ccccc2)CC1 ZINC000055082270 519726638 /nfs/dbraw/zinc/72/66/38/519726638.db2.gz NQONUQAOOHNTMZ-SFHVURJKSA-N 0 3 290.451 2.210 10 0 CEAEHN CC(C)CN1CCN(C[C@@H]2C[C@@H](C)CC[C@@H]2O)CC1 ZINC000055082314 519726660 /nfs/dbraw/zinc/72/66/60/519726660.db2.gz VOBRCANCOZCSEY-JYJNAYRXSA-N 0 3 268.445 2.057 10 0 CEAEHN CC(C)CN1CCN(C[C@H]2C[C@H](C)CCC2=O)CC1 ZINC000055081610 519726690 /nfs/dbraw/zinc/72/66/90/519726690.db2.gz PHYGCXVZMCNKFS-HUUCEWRRSA-N 0 3 266.429 2.265 10 0 CEAEHN CC(C)NCc1nccn1CCOc1ccccc1 ZINC000051005449 519728952 /nfs/dbraw/zinc/72/89/52/519728952.db2.gz PLALAMCDSSJNND-UHFFFAOYSA-N 0 3 259.353 2.460 10 0 CEAEHN CC(C)N[C@H](CCOc1ccc2ccccc2c1)C(N)=O ZINC000062550790 519738296 /nfs/dbraw/zinc/73/82/96/519738296.db2.gz MMVZVDAHADDGBC-MRXNPFEDSA-N 0 3 286.375 2.461 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccccc1OC(F)F ZINC000054745023 519748838 /nfs/dbraw/zinc/74/88/38/519748838.db2.gz LTROWZPCKKGTMG-UHFFFAOYSA-N 0 3 297.309 2.009 10 0 CEAEHN CC(C)[C@H](NC[C@H]1CN(C)CCN1C)c1cccs1 ZINC000068802621 519820906 /nfs/dbraw/zinc/82/09/06/519820906.db2.gz BNADLJDSOZRPGB-ZFWWWQNUSA-N 0 3 281.469 2.281 10 0 CEAEHN CCCN1CCN(c2nc3c(s2)[C@@H](N)CCC3)CC1 ZINC000054863937 519860597 /nfs/dbraw/zinc/86/05/97/519860597.db2.gz BGZNYEMOZJIVQG-NSHDSACASA-N 0 3 280.441 2.011 10 0 CEAEHN CC(C)[C@@H](CN(C)C)N1C(=S)N=NC1C(C)C ZINC000049219760 519890695 /nfs/dbraw/zinc/89/06/95/519890695.db2.gz RJYDVDUJVSWQBY-SNVBAGLBSA-N 0 3 256.419 2.449 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(OC)c(F)c1 ZINC000061288980 519907196 /nfs/dbraw/zinc/90/71/96/519907196.db2.gz DYTNJAXEQLVIMH-UHFFFAOYSA-N 0 3 254.305 2.161 10 0 CEAEHN CCCN[C@@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547864 520003502 /nfs/dbraw/zinc/00/35/02/520003502.db2.gz SHTRHQXZDPZLES-HNNXBMFYSA-N 0 3 278.396 2.432 10 0 CEAEHN CCCN[C@@H](c1cc(F)ccc1OC)[C@@H]1COCCO1 ZINC000055300664 520016102 /nfs/dbraw/zinc/01/61/02/520016102.db2.gz QJTSALDWMUBGHL-GJZGRUSLSA-N 0 3 283.343 2.290 10 0 CEAEHN CCCN[C@@H](Cc1csc(C)n1)c1nccn1C ZINC000069473829 520016685 /nfs/dbraw/zinc/01/66/85/520016685.db2.gz KFYPJNIHCNJWLZ-LBPRGKRZSA-N 0 3 264.398 2.468 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OC[C@@H](C)C(N)=O ZINC000062747431 520065597 /nfs/dbraw/zinc/06/55/97/520065597.db2.gz FWEGZIVBEZOGEJ-GHMZBOCLSA-N 0 3 282.359 2.387 10 0 CEAEHN CCCN[C@H](c1cc(C)ccc1OC)[C@H]1COCCO1 ZINC000055300898 520088446 /nfs/dbraw/zinc/08/84/46/520088446.db2.gz CFTMNIVYTOIPAF-HZPDHXFCSA-N 0 3 279.380 2.460 10 0 CEAEHN CCCN[C@H]1COc2cc(OCCC(=O)OC)ccc21 ZINC000069317714 520097801 /nfs/dbraw/zinc/09/78/01/520097801.db2.gz NKGGJUOPZASNNN-ZDUSSCGKSA-N 0 3 279.336 2.062 10 0 CEAEHN CCN[C@@H](c1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000050544503 520109482 /nfs/dbraw/zinc/10/94/82/520109482.db2.gz TUNCEZTUBUHFJC-OCCSQVGLSA-N 0 3 285.384 2.219 10 0 CEAEHN CCN[C@@H](c1ccc(CC)s1)[C@H]1COCCO1 ZINC000055299856 520109690 /nfs/dbraw/zinc/10/96/90/520109690.db2.gz UWYANTSKBGAFJP-DGCLKSJQSA-N 0 3 255.383 2.377 10 0 CEAEHN CCCCCC[C@@H](C)OCC[C@H](NCC)C(N)=O ZINC000062542699 520119999 /nfs/dbraw/zinc/11/99/99/520119999.db2.gz IHUNNVRYKTWELU-OLZOCXBDSA-N 0 3 258.406 2.215 10 0 CEAEHN CCN[C@@H]1COc2cc(OCCCC(=O)OC)ccc21 ZINC000062804693 520123687 /nfs/dbraw/zinc/12/36/87/520123687.db2.gz ACGLWKYSMGJDPE-CYBMUJFWSA-N 0 3 279.336 2.062 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)N(CC)c1cccc(C)c1)C(N)=O ZINC000068627774 520143729 /nfs/dbraw/zinc/14/37/29/520143729.db2.gz HTCNZISJEBXXMW-YOEHRIQHSA-N 0 3 291.439 2.453 10 0 CEAEHN CCCNc1ccnc(C(=O)N(CCC)CCN(C)C)c1 ZINC000050786149 520183099 /nfs/dbraw/zinc/18/30/99/520183099.db2.gz ZUOIEWLGYWGOBH-UHFFFAOYSA-N 0 3 292.427 2.317 10 0 CEAEHN CCCNc1ccnc(C(=O)N2CCC[C@H]2CN(C)C)c1 ZINC000061655985 520183512 /nfs/dbraw/zinc/18/35/12/520183512.db2.gz WZPLBPKAUZPOQY-AWEZNQCLSA-N 0 3 290.411 2.070 10 0 CEAEHN CCN[C@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547892 520191087 /nfs/dbraw/zinc/19/10/87/520191087.db2.gz IWPZIAKBKAAENU-CQSZACIVSA-N 0 3 264.369 2.042 10 0 CEAEHN CCN[C@H](Cc1ccc(OC)c(OC)c1)c1cncnc1 ZINC000052887254 520202569 /nfs/dbraw/zinc/20/25/69/520202569.db2.gz YAADJKHBOGHVEU-CQSZACIVSA-N 0 3 287.363 2.387 10 0 CEAEHN CCN[C@H](Cc1cccc(OC)c1)c1nccn1C ZINC000069473613 520202605 /nfs/dbraw/zinc/20/26/05/520202605.db2.gz PSHTYZHYSMLMPS-CQSZACIVSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@H](Cc1nc(C)cs1)c1cccnc1N ZINC000070321179 520205654 /nfs/dbraw/zinc/20/56/54/520205654.db2.gz RJIXNFMGFNVMCX-LLVKDONJSA-N 0 3 262.382 2.322 10 0 CEAEHN CCN[C@H]1COc2cc(O[C@@H]3CCC[C@@H]3O)ccc21 ZINC000062804752 520220647 /nfs/dbraw/zinc/22/06/47/520220647.db2.gz XJLAGLHXBIFNOC-MELADBBJSA-N 0 3 263.337 2.022 10 0 CEAEHN CCNc1ccccc1C(=O)N[C@H]1CCCN(CC)C1 ZINC000050777723 520338820 /nfs/dbraw/zinc/33/88/20/520338820.db2.gz KNQPVJHRXUHQRS-ZDUSSCGKSA-N 0 3 275.396 2.333 10 0 CEAEHN CCCCN(C)C[C@@](NCCC)(C(=O)OCC)C1CC1 ZINC000069088880 520413490 /nfs/dbraw/zinc/41/34/90/520413490.db2.gz POUPCUUSEAKGAH-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCCN(C)c1ncc(CNCCOC)s1 ZINC000054901489 520439000 /nfs/dbraw/zinc/43/90/00/520439000.db2.gz DPDCOHCCQNNGLH-UHFFFAOYSA-N 0 3 257.403 2.115 10 0 CEAEHN CCCOc1cccc(C(=O)N2[C@H](C)CNC[C@@H]2C)c1 ZINC000069133463 520442264 /nfs/dbraw/zinc/44/22/64/520442264.db2.gz XGRUPQJKWHHSFZ-BETUJISGSA-N 0 3 276.380 2.298 10 0 CEAEHN CCO[C@H]1CCCN(Cc2cc(C)c(CN)o2)C1 ZINC000052372228 520526651 /nfs/dbraw/zinc/52/66/51/520526651.db2.gz KCEMSHAUKXSCGV-LBPRGKRZSA-N 0 3 252.358 2.048 10 0 CEAEHN CCCCOC(=O)COc1ccccc1CNCCOC ZINC000062729701 520712920 /nfs/dbraw/zinc/71/29/20/520712920.db2.gz CKBVVYUIHGZCLE-UHFFFAOYSA-N 0 3 295.379 2.145 10 0 CEAEHN CC1(NC(=O)c2c[nH]c(=NN)c(Cl)c2)CCCCC1 ZINC000051115974 520766324 /nfs/dbraw/zinc/76/63/24/520766324.db2.gz LRHFMRMHKPKJQC-UHFFFAOYSA-N 0 3 282.775 2.473 10 0 CEAEHN CCOC(=O)[C@@H](CCN1CCCC[C@@H]1C)NC(C)C ZINC000062440315 521057271 /nfs/dbraw/zinc/05/72/71/521057271.db2.gz LZPZLGCWDTYYFW-UONOGXRCSA-N 0 3 270.417 2.181 10 0 CEAEHN CCOC(=O)[C@@H](CCN1CCCCCC1)NC(C)C ZINC000062441162 521057601 /nfs/dbraw/zinc/05/76/01/521057601.db2.gz BGJFOXLQFOPCRY-CQSZACIVSA-N 0 3 270.417 2.182 10 0 CEAEHN CCN(Cc1cc(C)c(CNC)o1)[C@H](C)COC ZINC000052505152 521285898 /nfs/dbraw/zinc/28/58/98/521285898.db2.gz FOKVPOQRJDVLBL-GFCCVEGCSA-N 0 3 254.374 2.164 10 0 CEAEHN CCC(C)(C)OCCn1cc(CNC(C)(C)C)nn1 ZINC000052630558 521359198 /nfs/dbraw/zinc/35/91/98/521359198.db2.gz LZHKPKUXTWWNPB-UHFFFAOYSA-N 0 3 268.405 2.371 10 0 CEAEHN CCCc1ccc([C@](C)(CO)NCCOC)cc1 ZINC000053292661 521418122 /nfs/dbraw/zinc/41/81/22/521418122.db2.gz UXRDGAIOIXXTGM-HNNXBMFYSA-N 0 3 251.370 2.083 10 0 CEAEHN CCN(Cc1occc1CNC1CC1)[C@@H](C)COC ZINC000052504766 521471030 /nfs/dbraw/zinc/47/10/30/521471030.db2.gz KAZIKTISGBSYEC-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN CCC(CC)N(CCOC)Cc1cc(CNC)no1 ZINC000052573345 521558673 /nfs/dbraw/zinc/55/86/73/521558673.db2.gz JRQVJALDEMHDIK-UHFFFAOYSA-N 0 3 269.389 2.031 10 0 CEAEHN CCC(CC)N(CCOC)Cc1ccc(CN)o1 ZINC000052573336 521559605 /nfs/dbraw/zinc/55/96/05/521559605.db2.gz VMAJIPJYVDOZFQ-UHFFFAOYSA-N 0 3 254.374 2.375 10 0 CEAEHN CCN1CCC(O)(c2ccc3c(c2)OCCCO3)CC1 ZINC000055192476 521583068 /nfs/dbraw/zinc/58/30/68/521583068.db2.gz OEKRFQWQGUQODX-UHFFFAOYSA-N 0 3 277.364 2.151 10 0 CEAEHN CCCN(CC(F)(F)F)c1ccc(CNCC)nn1 ZINC000051480003 521587354 /nfs/dbraw/zinc/58/73/54/521587354.db2.gz VNHKFVSDNHHGTH-UHFFFAOYSA-N 0 3 276.306 2.365 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCc3ccccc3C2)C1 ZINC000052594571 521644756 /nfs/dbraw/zinc/64/47/56/521644756.db2.gz UWSNKFGTTDQFBL-INIZCTEOSA-N 0 3 287.407 2.239 10 0 CEAEHN CCN1CCC[C@H](Nc2cc3c(cc2N)NC(=O)CC3)C1 ZINC000049193210 521649828 /nfs/dbraw/zinc/64/98/28/521649828.db2.gz VBLHQMUVIWVLDJ-LBPRGKRZSA-N 0 3 288.395 2.050 10 0 CEAEHN CCOC1CCN(c2nc(CC)c(CN)s2)CC1 ZINC000054998371 521658209 /nfs/dbraw/zinc/65/82/09/521658209.db2.gz ROHGGADDQJSWBW-UHFFFAOYSA-N 0 3 269.414 2.170 10 0 CEAEHN COCC[C@@H](N)C(=O)Nc1cccc(Cl)c1Cl ZINC000052791182 521828980 /nfs/dbraw/zinc/82/89/80/521828980.db2.gz ICXYMQXUEFMNLF-MRVPVSSYSA-N 0 3 277.151 2.296 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccco1)c1ccccc1 ZINC000052554671 521859648 /nfs/dbraw/zinc/85/96/48/521859648.db2.gz UGZILJGDFSQKPG-ZDUSSCGKSA-N 0 3 258.321 2.312 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061300825 521943038 /nfs/dbraw/zinc/94/30/38/521943038.db2.gz CQDAQSLYQZHMIE-UHFFFAOYSA-N 0 3 276.384 2.008 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000062969311 522053718 /nfs/dbraw/zinc/05/37/18/522053718.db2.gz FXVSCBKVTNRFIZ-SECBINFHSA-N 0 3 288.178 2.165 10 0 CEAEHN CNCc1cc(F)c(-n2cnc(C)c2C)c(F)c1 ZINC000062719840 522111923 /nfs/dbraw/zinc/11/19/23/522111923.db2.gz AQKTUSAXGMJXAD-UHFFFAOYSA-N 0 3 251.280 2.487 10 0 CEAEHN CNCc1cc2ccccc2c(OCCCOC)n1 ZINC000051522356 522114643 /nfs/dbraw/zinc/11/46/43/522114643.db2.gz CKKQVRIIXSXIHW-UHFFFAOYSA-N 0 3 260.337 2.370 10 0 CEAEHN CNCc1cnc(OC[C@H]2CCCO2)c(Cl)c1 ZINC000051526463 522149431 /nfs/dbraw/zinc/14/94/31/522149431.db2.gz ASKRKOUKAWEGNT-SNVBAGLBSA-N 0 3 256.733 2.012 10 0 CEAEHN CNCc1occc1CN(C)Cc1csc(C)n1 ZINC000052505820 522164850 /nfs/dbraw/zinc/16/48/50/522164850.db2.gz DVJMSXCGQHRRIX-UHFFFAOYSA-N 0 3 265.382 2.396 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000054074271 522321635 /nfs/dbraw/zinc/32/16/35/522321635.db2.gz BWDXDHOEQYPYLI-IUCAKERBSA-N 0 3 274.286 2.491 10 0 CEAEHN CN[C@@H](Cn1nc(C)ccc1=O)c1ccc(C)c(C)c1 ZINC000061810260 522364782 /nfs/dbraw/zinc/36/47/82/522364782.db2.gz UMICHVKUJVDNBO-HNNXBMFYSA-N 0 3 271.364 2.129 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@H]1CCCO1 ZINC000062806587 522369506 /nfs/dbraw/zinc/36/95/06/522369506.db2.gz PWASLMXQXZHRLR-ZBFHGGJFSA-N 0 3 274.364 2.035 10 0 CEAEHN CN[C@@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702752 522377257 /nfs/dbraw/zinc/37/72/57/522377257.db2.gz HMPZYOYAJSINGA-ZIAGYGMSSA-N 0 3 267.394 2.381 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@H](C)C(=O)N1CCCC1 ZINC000062746469 522446871 /nfs/dbraw/zinc/44/68/71/522446871.db2.gz POUBMJWCMNWKRL-VXGBXAGGSA-N 0 3 294.370 2.496 10 0 CEAEHN CN[C@H](Cn1ncccc1=O)c1ccc(C(C)C)cc1 ZINC000061402337 522476882 /nfs/dbraw/zinc/47/68/82/522476882.db2.gz OHXFRVXHKMCSOX-OAHLLOKOSA-N 0 3 271.364 2.327 10 0 CEAEHN CC[C@@H](CC(=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000062753251 522483709 /nfs/dbraw/zinc/48/37/09/522483709.db2.gz IXWZRTIVFNJVNB-ZDUSSCGKSA-N 0 3 268.401 2.190 10 0 CEAEHN CC[C@@H](CC(=O)[O-])[NH+]1CCC(N2CCCCC2)CC1 ZINC000062753251 522483712 /nfs/dbraw/zinc/48/37/12/522483712.db2.gz IXWZRTIVFNJVNB-ZDUSSCGKSA-N 0 3 268.401 2.190 10 0 CEAEHN CN[C@](COc1cccc(C(C)C)c1)(C(N)=O)C1CC1 ZINC000069197039 522530734 /nfs/dbraw/zinc/53/07/34/522530734.db2.gz OBLNSGWQLWLBOL-INIZCTEOSA-N 0 3 276.380 2.042 10 0 CEAEHN CC[C@@H]([NH3+])[C@@]([O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784282 522651667 /nfs/dbraw/zinc/65/16/67/522651667.db2.gz NLQKNQMFJFFHKH-ZJUUUORDSA-N 0 3 269.213 2.452 10 0 CEAEHN CC[C@@H](Oc1c(CNC(C)(C)C)cccc1OC)C(N)=O ZINC000062732252 523036251 /nfs/dbraw/zinc/03/62/51/523036251.db2.gz PYLUULFADHSAHK-GFCCVEGCSA-N 0 3 294.395 2.226 10 0 CEAEHN CC[C@H]1CO[C@H](C)CN1Cc1cc(CNC)c(C)o1 ZINC000052570902 523352287 /nfs/dbraw/zinc/35/22/87/523352287.db2.gz ABCCAKXZNCJHDW-RISCZKNCSA-N 0 3 266.385 2.307 10 0 CEAEHN CC[C@@H]1CN(c2cccc(Br)n2)CCN1C ZINC000069018582 523470235 /nfs/dbraw/zinc/47/02/35/523470235.db2.gz WEDMQZCEYBITJL-SNVBAGLBSA-N 0 3 284.201 2.375 10 0 CEAEHN CC[C@@H]1CN(c2ncc(CNC(C)C)s2)CCO1 ZINC000054903599 523472213 /nfs/dbraw/zinc/47/22/13/523472213.db2.gz KBJMKCFUNQQCJH-LLVKDONJSA-N 0 3 269.414 2.256 10 0 CEAEHN COCCN(C)CCN[C@@H]1CCCOc2c(C)cccc21 ZINC000061377249 523611212 /nfs/dbraw/zinc/61/12/12/523611212.db2.gz NTLOCHXDIGBUGP-MRXNPFEDSA-N 0 3 292.423 2.377 10 0 CEAEHN COCCN(CCOC)Cc1ccoc1CNCC(C)C ZINC000052571515 523719391 /nfs/dbraw/zinc/71/93/91/523719391.db2.gz VDRZKZWUHWBZAC-UHFFFAOYSA-N 0 3 298.427 2.120 10 0 CEAEHN CCn1nccc1[C@@H](N)c1ccc2ncccc2c1 ZINC000069472684 523744373 /nfs/dbraw/zinc/74/43/73/523744373.db2.gz XGVFYZQTAZFXIU-HNNXBMFYSA-N 0 3 252.321 2.499 10 0 CEAEHN CN1CCC(Nc2cccc(Cl)c2C(N)=S)CC1 ZINC000052904742 523777625 /nfs/dbraw/zinc/77/76/25/523777625.db2.gz GEGDZASJCZFIRC-UHFFFAOYSA-N 0 3 283.828 2.480 10 0 CEAEHN COC(=O)[C@@](CN(C)CC(C)(C)C)(NC(C)C)C1CC1 ZINC000069132524 523821089 /nfs/dbraw/zinc/82/10/89/523821089.db2.gz OSMMEPPYVCEIEO-INIZCTEOSA-N 0 3 284.444 2.284 10 0 CEAEHN COC(=O)[C@@](CN(C)CC1CCC1)(NC(C)C)C1CC1 ZINC000069231926 523823566 /nfs/dbraw/zinc/82/35/66/523823566.db2.gz RMQWIMCKHRCMTQ-INIZCTEOSA-N 0 3 282.428 2.038 10 0 CEAEHN COC(=O)[C@@](CN1CCC(C)(C)CC1)(NC1CC1)C1CC1 ZINC000069232021 523824192 /nfs/dbraw/zinc/82/41/92/523824192.db2.gz VOUQUXRQTHOEPU-KRWDZBQOSA-N 0 3 294.439 2.182 10 0 CEAEHN CN1CCN(C[C@@H](N)c2ccc(C(C)(C)C)cc2)C1=O ZINC000052885757 523904300 /nfs/dbraw/zinc/90/43/00/523904300.db2.gz VPGKONAYGIPYOA-CQSZACIVSA-N 0 3 275.396 2.351 10 0 CEAEHN COCCNC[C@@H](O)c1c(Cl)cccc1Cl ZINC000055030590 523940069 /nfs/dbraw/zinc/94/00/69/523940069.db2.gz JSNCJABCLURXBR-SNVBAGLBSA-N 0 3 264.152 2.263 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@H](N[C@@H](C)CCC(C)C)C1=O ZINC000069234449 523946701 /nfs/dbraw/zinc/94/67/01/523946701.db2.gz HMVWUADYPXAPET-AVGNSLFASA-N 0 3 268.401 2.327 10 0 CEAEHN COCCNCc1c(Cl)cccc1-n1cccn1 ZINC000062738508 523946964 /nfs/dbraw/zinc/94/69/64/523946964.db2.gz PNOQOHNXOMVARO-UHFFFAOYSA-N 0 3 265.744 2.262 10 0 CEAEHN COCCNCc1ccc(-n2ccc(C)n2)cc1C ZINC000062738935 523952194 /nfs/dbraw/zinc/95/21/94/523952194.db2.gz GMRILMCARGCZHD-UHFFFAOYSA-N 0 3 259.353 2.225 10 0 CEAEHN CC[C@H](C)N1CCN([C@@H]2CNc3ccccc3C2)CC1 ZINC000055067316 523957850 /nfs/dbraw/zinc/95/78/50/523957850.db2.gz XTQVVGRXUMDJHC-HOCLYGCPSA-N 0 3 273.424 2.439 10 0 CEAEHN COCCNCc1sc(N2CC[C@@H](C)C2)nc1C ZINC000054998432 523958345 /nfs/dbraw/zinc/95/83/45/523958345.db2.gz VHPHPPYJKFCALX-SNVBAGLBSA-N 0 3 269.414 2.034 10 0 CEAEHN COCCN[C@](C)(CO)c1ccccc1C(F)(F)F ZINC000053292505 523961765 /nfs/dbraw/zinc/96/17/65/523961765.db2.gz LJAWMJIGTDBRLT-GFCCVEGCSA-N 0 3 277.286 2.149 10 0 CEAEHN COC(=O)[C@](C)(CCN1CCCC(C)(C)C1)NC1CC1 ZINC000069516755 523998916 /nfs/dbraw/zinc/99/89/16/523998916.db2.gz ZWEKOMWBSPWSLF-INIZCTEOSA-N 0 3 282.428 2.182 10 0 CEAEHN CNC(=O)CCCN[C@@H](c1ccccc1)c1ccncc1 ZINC000068817694 524065087 /nfs/dbraw/zinc/06/50/87/524065087.db2.gz DAPDJEBVDNSENH-KRWDZBQOSA-N 0 3 283.375 2.287 10 0 CEAEHN COc1ccc(Cc2nc(C)c(CN)c(C)n2)cc1OC ZINC000054836890 524163892 /nfs/dbraw/zinc/16/38/92/524163892.db2.gz KRBWUTLCRCNNEC-UHFFFAOYSA-N 0 3 287.363 2.160 10 0 CEAEHN C[C@@H]1CCCN(Cc2ccnc(C(N)=S)c2)[C@@H]1C ZINC000068752743 524235557 /nfs/dbraw/zinc/23/55/57/524235557.db2.gz LTOWDWLDMXDDQB-GHMZBOCLSA-N 0 3 263.410 2.336 10 0 CEAEHN COc1ccc(Cl)cc1[C@@]([O-])([C@@H](C)[NH3+])C(F)(F)F ZINC000062784396 524254004 /nfs/dbraw/zinc/25/40/04/524254004.db2.gz ZQTSTTNCTGQJAO-LDWIPMOCSA-N 0 3 283.677 2.446 10 0 CEAEHN C[C@H](CN1CCCCC1)Nc1nccn(C(C)(C)C)c1=O ZINC000061765132 524335328 /nfs/dbraw/zinc/33/53/28/524335328.db2.gz IDQGBWHHEYUXLX-CYBMUJFWSA-N 0 3 292.427 2.285 10 0 CEAEHN C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(CN)c2)C[C@@H]1C ZINC000068583089 524370229 /nfs/dbraw/zinc/37/02/29/524370229.db2.gz CYXIUZLDCGHYJF-SGMGOOAPSA-N 0 3 296.436 2.248 10 0 CEAEHN C[C@@H]1CCN(C(=O)c2c[nH]c(=NN)c(Cl)c2)[C@@H](C)C1 ZINC000051752300 524493943 /nfs/dbraw/zinc/49/39/43/524493943.db2.gz KXIJNPZTOQDMED-BDAKNGLRSA-N 0 3 282.775 2.281 10 0 CEAEHN C[C@@H](CCn1cccn1)N[C@@H]1COc2ccccc21 ZINC000183895583 524553399 /nfs/dbraw/zinc/55/33/99/524553399.db2.gz ANUZMQXBHCLMCB-GXTWGEPZSA-N 0 3 257.337 2.385 10 0 CEAEHN C[C@@H](CN1CCCC1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601138 524589006 /nfs/dbraw/zinc/58/90/06/524589006.db2.gz LYFGAZIOMMFRQY-MELADBBJSA-N 0 3 250.386 2.057 10 0 CEAEHN C[C@@H](CN1CCCC1)Nc1nc(Cl)nc(Cl)n1 ZINC000061518639 524595775 /nfs/dbraw/zinc/59/57/75/524595775.db2.gz IKHIYNKJHUPATJ-ZETCQYMHSA-N 0 3 276.171 2.075 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)[C@@H]1CCCc2ccccc21 ZINC000069132746 524696121 /nfs/dbraw/zinc/69/61/21/524696121.db2.gz IOLLWHSGXFRYGO-HEHGZKQESA-N 0 3 272.392 2.315 10 0 CEAEHN C[C@H]1COCCN1Cc1c(CN)oc2ccccc21 ZINC000052475844 524721708 /nfs/dbraw/zinc/72/17/08/524721708.db2.gz KNQSUFCYVVVIEA-NSHDSACASA-N 0 3 260.337 2.112 10 0 CEAEHN C[C@H](N)c1ccc(F)cc1O[C@@H](C)C(=O)N1CCCC1 ZINC000062745674 524864363 /nfs/dbraw/zinc/86/43/63/524864363.db2.gz XJANEEVZWONYRL-QWRGUYRKSA-N 0 3 280.343 2.235 10 0 CEAEHN Cc1ccc(N(C)Cc2ccnc(C(=N)N)c2)cc1 ZINC000068761791 524887533 /nfs/dbraw/zinc/88/75/33/524887533.db2.gz KUBPPZNHSGUFCU-UHFFFAOYSA-N 0 3 254.337 2.310 10 0 CEAEHN COc1nc2sccn2c1CNCCCSC ZINC000069433706 524990193 /nfs/dbraw/zinc/99/01/93/524990193.db2.gz PPFUVJSZDXSZNA-UHFFFAOYSA-N 0 3 271.411 2.247 10 0 CEAEHN C[C@@H]1CN(c2ccc(Cl)cc2CN)C[C@@H](C)O1 ZINC000052856522 525065473 /nfs/dbraw/zinc/06/54/73/525065473.db2.gz ROWKUURINAWLPT-NXEZZACHSA-N 0 3 254.761 2.412 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)Cc1cccc(Cl)c1 ZINC000069132639 525100059 /nfs/dbraw/zinc/10/00/59/525100059.db2.gz FWGKQTMTEAYYRT-PHIMTYICSA-N 0 3 266.772 2.091 10 0 CEAEHN Cc1ccccc1CN(C)Cc1ccnc(CN)c1 ZINC000068749595 525128112 /nfs/dbraw/zinc/12/81/12/525128112.db2.gz RRFQOFXCMFYCLU-UHFFFAOYSA-N 0 3 255.365 2.481 10 0 CEAEHN COc1ccc([C@@H](N)c2cncc(F)c2)cc1OC ZINC000049576136 525192470 /nfs/dbraw/zinc/19/24/70/525192470.db2.gz DKUKEZVNUHPUBW-CQSZACIVSA-N 0 3 262.284 2.286 10 0 CEAEHN Cc1ccc(NC(=O)c2ccnc(NN)c2)c(C)c1 ZINC000051096265 525248532 /nfs/dbraw/zinc/24/85/32/525248532.db2.gz SRRGTMDSKOUDTJ-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN Cc1ccc(NC(=O)c2cc[nH]c(=NN)c2)c(C)c1 ZINC000051096265 525248535 /nfs/dbraw/zinc/24/85/35/525248535.db2.gz SRRGTMDSKOUDTJ-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(CN)c2)cn1 ZINC000050211966 525467843 /nfs/dbraw/zinc/46/78/43/525467843.db2.gz KFTFWGBFWSASTK-GFCCVEGCSA-N 0 3 285.347 2.255 10 0 CEAEHN Cc1ccc(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)c(C)c1 ZINC000068655177 525469266 /nfs/dbraw/zinc/46/92/66/525469266.db2.gz QNOVECKNYOHGMV-CXAGYDPISA-N 0 3 290.407 2.457 10 0 CEAEHN C[C@@H](NC[C@H](O)CN1CCCCC1)c1cc(F)ccc1F ZINC000151258451 525494963 /nfs/dbraw/zinc/49/49/63/525494963.db2.gz ZTXDSNKSWCXJCD-OCCSQVGLSA-N 0 3 298.377 2.462 10 0 CEAEHN Cc1cc([C@H](CN)N2CCOC(C)(C)C2)c(C)s1 ZINC000049687360 525536065 /nfs/dbraw/zinc/53/60/65/525536065.db2.gz UYEYNRTYNYHHGG-ZDUSSCGKSA-N 0 3 268.426 2.476 10 0 CEAEHN Cc1ccn(-c2c(CN)c(C)nn2-c2ccccc2)n1 ZINC000052884780 525556185 /nfs/dbraw/zinc/55/61/85/525556185.db2.gz QPNVYNNVKHVXIE-UHFFFAOYSA-N 0 3 267.336 2.134 10 0 CEAEHN C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1ccccc1CN ZINC000050563663 525639976 /nfs/dbraw/zinc/63/99/76/525639976.db2.gz NCJWIJNWEOKUJP-QWHCGFSZSA-N 0 3 275.396 2.204 10 0 CEAEHN C[C@@H](N[C@@H]1CCc2ccccc2C1)C(=O)N1CCCC1 ZINC000055420789 525651877 /nfs/dbraw/zinc/65/18/77/525651877.db2.gz ANVKJAQQJIZMMC-CZUORRHYSA-N 0 3 272.392 2.144 10 0 CEAEHN Cc1ccc(SCC[C@H](NC2CC2)C(N)=O)cc1C ZINC000062599746 525660071 /nfs/dbraw/zinc/66/00/71/525660071.db2.gz CRCRPONIKXVVRR-AWEZNQCLSA-N 0 3 278.421 2.392 10 0 CEAEHN C[C@H](O)c1ccccc1NC(=O)[C@@H](N)C(C)(C)C ZINC000049547184 525860134 /nfs/dbraw/zinc/86/01/34/525860134.db2.gz HMXTUTYSKPDAKX-JOYOIKCWSA-N 0 3 250.342 2.052 10 0 CEAEHN Cc1nn([C@H](C)C[C@](C)(NC2CC2)C(N)=O)c(C)c1Cl ZINC000068649809 526306465 /nfs/dbraw/zinc/30/64/65/526306465.db2.gz XZIACOKJQIOCPO-CLAHSXSESA-N 0 3 298.818 2.100 10 0 CEAEHN O[C@H]1c2ccccc2OC[C@H]1N1Cc2ccccc2C1 ZINC000050912087 526319396 /nfs/dbraw/zinc/31/93/96/526319396.db2.gz IFCFEQWAZLKUFI-WBVHZDCISA-N 0 3 267.328 2.497 10 0 CEAEHN Cc1csc(Cc2ncc3c(n2)CCC[C@@H]3N)n1 ZINC000055269734 526369455 /nfs/dbraw/zinc/36/94/55/526369455.db2.gz SJNITPFRVWIDPU-JTQLQIEISA-N 0 3 260.366 2.168 10 0 CEAEHN Cc1csc(SCc2ccnc(C(=N)N)c2)n1 ZINC000068762891 526399511 /nfs/dbraw/zinc/39/95/11/526399511.db2.gz YVEDEPPOZSKOKR-UHFFFAOYSA-N 0 3 264.379 2.423 10 0 CEAEHN Cc1nc(-c2ccccn2)nc(C)c1CNC1CC1 ZINC000054854387 526609029 /nfs/dbraw/zinc/60/90/29/526609029.db2.gz SAGXTUVYQLAKFH-UHFFFAOYSA-N 0 3 254.337 2.407 10 0 CEAEHN O=C(NCc1cccc(F)c1)c1ccc2c(c1)CNC2 ZINC000156650757 526719963 /nfs/dbraw/zinc/71/99/63/526719963.db2.gz MFQOAKMYPZWWQO-UHFFFAOYSA-N 0 3 270.307 2.359 10 0 CEAEHN CC(C)(C)c1nnc(NC[C@H](O)CN2CCCCC2)s1 ZINC000153104839 526894896 /nfs/dbraw/zinc/89/48/96/526894896.db2.gz VUMBMHKVEULDGZ-NSHDSACASA-N 0 3 298.456 2.094 10 0 CEAEHN NC[C@@H](c1cc2ccccc2o1)N1CCCOCC1 ZINC000068811968 527205900 /nfs/dbraw/zinc/20/59/00/527205900.db2.gz VTZJYVHFOFPBRW-ZDUSSCGKSA-N 0 3 260.337 2.155 10 0 CEAEHN NC[C@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1 ZINC000061610687 527223304 /nfs/dbraw/zinc/22/33/04/527223304.db2.gz AFEVSHPLHQWHKV-INIZCTEOSA-N 0 3 286.350 2.227 10 0 CEAEHN NCc1c2ccccc2oc1CN1CCN(C2CC2)CC1 ZINC000052371347 527243363 /nfs/dbraw/zinc/24/33/63/527243363.db2.gz CBBXENQLQIQVJX-UHFFFAOYSA-N 0 3 285.391 2.172 10 0 CEAEHN NCc1cc(N2CCC[C@H]2c2cccnc2)ccn1 ZINC000061811573 527248666 /nfs/dbraw/zinc/24/86/66/527248666.db2.gz VFUAZACFOBBKBT-HNNXBMFYSA-N 0 3 254.337 2.277 10 0 CEAEHN NNc1ccc(Cl)c(CN2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000061638610 527280502 /nfs/dbraw/zinc/28/05/02/527280502.db2.gz PIVVABCRYSPPLK-STQMWFEESA-N 0 3 296.802 2.164 10 0 CEAEHN NN=c1[nH]cc(C(=O)N2CCCCCC2)cc1Cl ZINC000051095871 527286901 /nfs/dbraw/zinc/28/69/01/527286901.db2.gz KJFXQYDSBHWCEL-UHFFFAOYSA-N 0 3 268.748 2.037 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000069142719 527300952 /nfs/dbraw/zinc/30/09/52/527300952.db2.gz BRQGNYCKDPJIIX-CABCVRRESA-N 0 3 297.395 2.444 10 0 CEAEHN N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299126 527339449 /nfs/dbraw/zinc/33/94/49/527339449.db2.gz GBANYBUJRQHRND-QWRGUYRKSA-N 0 3 262.136 2.409 10 0 CEAEHN Nc1cc(F)c(N[C@@H]2CCN3CCC[C@H]23)c(F)c1 ZINC000049564674 527453477 /nfs/dbraw/zinc/45/34/77/527453477.db2.gz NQWNYYNOUKGAIP-VXGBXAGGSA-N 0 3 253.296 2.196 10 0 CEAEHN Cc1nn(C)c(N(C)CC(F)(F)F)c1CNCC(C)C ZINC000062736367 527669865 /nfs/dbraw/zinc/66/98/65/527669865.db2.gz YYHPUYGKBKJNDS-UHFFFAOYSA-N 0 3 292.349 2.473 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1cnc(C)s1 ZINC000175351438 529097875 /nfs/dbraw/zinc/09/78/75/529097875.db2.gz WBIONIXSFUPRNG-LBPRGKRZSA-N 0 3 253.415 2.368 10 0 CEAEHN CC1(C)CN[C@@]2(CCSC2)O[C@@]12CCCOC2 ZINC000757143495 574510275 /nfs/dbraw/zinc/51/02/75/574510275.db2.gz LVJRMCRMNZSOST-OLZOCXBDSA-N 0 3 257.399 2.015 10 0 CEAEHN c1ncc(C2CC2)cc1SC[C@H]1CNCCO1 ZINC000757215641 574513054 /nfs/dbraw/zinc/51/30/54/574513054.db2.gz WNJAIKVSPLHTER-GFCCVEGCSA-N 0 3 250.367 2.040 10 0 CEAEHN COC(=O)C[C@@H](N)c1ccsc1Br ZINC000238335203 623480933 /nfs/dbraw/zinc/48/09/33/623480933.db2.gz HEYIRIZGPGPIGM-ZCFIWIBFSA-N 0 3 264.144 2.074 10 0 CEAEHN COc1cc(OC)cc(-c2noc([C@H]3CCCN3)n2)c1 ZINC000235007548 624292097 /nfs/dbraw/zinc/29/20/97/624292097.db2.gz WWGCXGOEWGJSJV-GFCCVEGCSA-N 0 3 275.308 2.178 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(C[C@H]2CCC=CO2)C1 ZINC000249023628 628763240 /nfs/dbraw/zinc/76/32/40/628763240.db2.gz KPDFNAMZUAEKLB-ZIAGYGMSSA-N 0 3 266.385 2.060 10 0 CEAEHN Cc1cc(Cl)ncc1NC(=O)[C@H](N)CC(C)C ZINC000157417802 639485789 /nfs/dbraw/zinc/48/57/89/639485789.db2.gz UWBOHRMLPFBZFN-SECBINFHSA-N 0 3 255.749 2.355 10 0 CEAEHN OC[C@H](NC[C@@H](O)c1cccc(F)c1)c1ccccc1 ZINC000063002459 639806197 /nfs/dbraw/zinc/80/61/97/639806197.db2.gz UFWNWOISIJCSIF-JKSUJKDBSA-N 0 3 275.323 2.182 10 0 CEAEHN CN(C[C@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000252952564 641599152 /nfs/dbraw/zinc/59/91/52/641599152.db2.gz FUIHTMGBYKDELT-STQMWFEESA-N 0 3 289.297 2.460 10 0 CEAEHN Cc1ccccc1[C@H](C)NC[C@H]1CCCS1(=O)=O ZINC000126841381 650975817 /nfs/dbraw/zinc/97/58/17/650975817.db2.gz IKELHCKRTKTUMH-QWHCGFSZSA-N 0 3 267.394 2.223 10 0 CEAEHN CN[C@H](CS(=O)(=O)C1CCCCC1)C(C)(C)C ZINC000081979000 177910761 /nfs/dbraw/zinc/91/07/61/177910761.db2.gz XSMSGHHZNAXXNX-GFCCVEGCSA-N 0 3 261.431 2.368 10 0 CEAEHN CCNCc1sc(N(CC)CC)nc1COC ZINC000082447094 178025846 /nfs/dbraw/zinc/02/58/46/178025846.db2.gz HCIBCUCUGKHRKG-UHFFFAOYSA-N 0 3 257.403 2.245 10 0 CEAEHN [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1cc([O-])cc(F)c1 ZINC000095800756 185028025 /nfs/dbraw/zinc/02/80/25/185028025.db2.gz TXIKOZLIPPFWSH-GJZGRUSLSA-N 0 3 261.296 2.135 10 0 CEAEHN O[C@@H](CN1CCCCC1)N1C=C(c2ccccc2)OC1 ZINC000095934618 185033488 /nfs/dbraw/zinc/03/34/88/185033488.db2.gz IXSSPBTZDQURHB-INIZCTEOSA-N 0 3 274.364 2.079 10 0 CEAEHN C[C@H]1C[C@H]1CN(C)c1ncc(Br)cc1CN ZINC000082650288 178141485 /nfs/dbraw/zinc/14/14/85/178141485.db2.gz OZFYHFJXKLJYGA-WPRPVWTQSA-N 0 3 284.201 2.395 10 0 CEAEHN NCc1ccccc1Oc1ncc(Br)cn1 ZINC000082662666 178151459 /nfs/dbraw/zinc/15/14/59/178151459.db2.gz GPPSTETVOLTPBN-UHFFFAOYSA-N 0 3 280.125 2.490 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000034939069 361799352 /nfs/dbraw/zinc/79/93/52/361799352.db2.gz BHUOJUTVIWWRLN-KCJUWKMLSA-N 0 3 251.717 2.266 10 0 CEAEHN CCCCO[C@@H]1C[C@@H](NC(=O)[C@H](N)CCC)C1(C)C ZINC000121788295 365614595 /nfs/dbraw/zinc/61/45/95/365614595.db2.gz XTPGERIELNYMSV-JHJVBQTASA-N 0 3 270.417 2.214 10 0 CEAEHN CC(C)COc1ccc([C@@H](C)N[C@H](C)C(N)=O)cc1 ZINC000035792855 361822949 /nfs/dbraw/zinc/82/29/49/361822949.db2.gz UMNSZUOLCLHGHL-VXGBXAGGSA-N 0 3 264.369 2.246 10 0 CEAEHN C[C@@H](CC(N)=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000124179964 365647003 /nfs/dbraw/zinc/64/70/03/365647003.db2.gz PLJJDNHJHNAOSX-JQWIXIFHSA-N 0 3 262.353 2.142 10 0 CEAEHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccccc1N(C)C)CC2 ZINC000093944304 282127397 /nfs/dbraw/zinc/12/73/97/282127397.db2.gz JIWIPYBTWQMCHM-TZMCWYRMSA-N 0 3 299.422 2.318 10 0 CEAEHN COc1ccc2oc(CN[C@@H]3CCc4ncnn4C3)cc2c1 ZINC000125140499 187171685 /nfs/dbraw/zinc/17/16/85/187171685.db2.gz VQVNUMNLKMUVEK-GFCCVEGCSA-N 0 3 298.346 2.138 10 0 CEAEHN C[C@H]1C[C@]2(CN1C)C[C@H](O)c1ccc(F)cc1O2 ZINC000097005825 185150784 /nfs/dbraw/zinc/15/07/84/185150784.db2.gz DPBKPPQLSFUTSC-DUFXMDAXSA-N 0 3 251.301 2.104 10 0 CEAEHN O=C1C(CNCc2ccccc2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287457 361987718 /nfs/dbraw/zinc/98/77/18/361987718.db2.gz XBTUVTRHDJGMFX-CRAIPNDOSA-N 0 3 292.382 2.430 10 0 CEAEHN CCn1c2ccccc2cc(CNC[C@@H]2CCCO2)c1=O ZINC000039287554 361987834 /nfs/dbraw/zinc/98/78/34/361987834.db2.gz CZCITERFAWWJER-HNNXBMFYSA-N 0 3 286.375 2.290 10 0 CEAEHN Cc1ccc(Br)c2c1NC[C@]21C[C@H]1N ZINC000725247321 539192337 /nfs/dbraw/zinc/19/23/37/539192337.db2.gz MIJFNUWGNJCWTO-KCJUWKMLSA-N 0 3 253.143 2.152 10 0 CEAEHN Cc1c2ccc(Br)cc2nc(N)c1CN ZINC000725244141 539191201 /nfs/dbraw/zinc/19/12/01/539191201.db2.gz IWCRYVBDTVVZBA-UHFFFAOYSA-N 0 3 266.142 2.347 10 0 CEAEHN CCOC(=O)C1C(=O)Nc2c1cccc2Br ZINC000725255978 539201864 /nfs/dbraw/zinc/20/18/64/539201864.db2.gz QEFMCFYFGGHNRD-MRVPVSSYSA-N 0 3 284.109 2.048 10 0 CEAEHN CCc1nn(C)cc1CN[C@@H](CN(C)C)c1ccccc1 ZINC000092366246 539231316 /nfs/dbraw/zinc/23/13/16/539231316.db2.gz AMJWZSPEAOIMLJ-KRWDZBQOSA-N 0 3 286.423 2.375 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(F)nc2)C1 ZINC000126230779 187226156 /nfs/dbraw/zinc/22/61/56/187226156.db2.gz BGEBWGNLUCFVRD-PWSUYJOCSA-N 0 3 280.347 2.071 10 0 CEAEHN CNCc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000041157744 362023023 /nfs/dbraw/zinc/02/30/23/362023023.db2.gz YAHGXWSGTMOEEX-UHFFFAOYSA-N 0 3 266.300 2.207 10 0 CEAEHN CCc1ncc(CN[C@@H]2CCCC[C@H]2CO)s1 ZINC000084045710 539282254 /nfs/dbraw/zinc/28/22/54/539282254.db2.gz CQHOFMYLOXLEJB-CMPLNLGQSA-N 0 3 254.399 2.346 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NCc1cn2ccccc2n1 ZINC000042323088 362083160 /nfs/dbraw/zinc/08/31/60/362083160.db2.gz BGYJPMAEYLSULU-CQSZACIVSA-N 0 3 274.412 2.400 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1c(C)noc1C ZINC000245432350 539301096 /nfs/dbraw/zinc/30/10/96/539301096.db2.gz ODMVVJWMYORQIQ-BXUZGUMPSA-N 0 3 293.411 2.338 10 0 CEAEHN COc1ccc([C@@]23CCN(C)[C@@H]2CC(=O)CC3)cc1OC ZINC000003650335 343352402 /nfs/dbraw/zinc/35/24/02/343352402.db2.gz DAHIQPJTGIHDGO-IAGOWNOFSA-N 0 3 289.375 2.399 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000170868047 282261076 /nfs/dbraw/zinc/26/10/76/282261076.db2.gz NWHWPBORHHLXOD-HNNXBMFYSA-N 0 3 290.382 2.410 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2F)C1 ZINC000170868107 282261114 /nfs/dbraw/zinc/26/11/14/282261114.db2.gz XNAPYJDCDKXTMJ-LBPRGKRZSA-N 0 3 278.371 2.266 10 0 CEAEHN COc1cc(OC)c(OC)cc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000037164492 343426204 /nfs/dbraw/zinc/42/62/04/343426204.db2.gz DMWVXVNQGQQWRM-CHWSQXEVSA-N 0 3 295.379 2.106 10 0 CEAEHN CCOCCCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000047061345 362196884 /nfs/dbraw/zinc/19/68/84/362196884.db2.gz UCCLLWAXWRVXMS-HNNXBMFYSA-N 0 3 278.396 2.222 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2cccc(OC)c2)C1 ZINC000148280301 539315151 /nfs/dbraw/zinc/31/51/51/539315151.db2.gz GGTOPGJIBPSWIO-CJNGLKHVSA-N 0 3 278.396 2.067 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2c(F)cccc2Cl)CCO1 ZINC000128142466 187353946 /nfs/dbraw/zinc/35/39/46/187353946.db2.gz PXMLMXMWFAFXEU-LLVKDONJSA-N 0 3 286.778 2.242 10 0 CEAEHN CN(C[C@@H](N)Cc1ccccc1)C(=O)OC(C)(C)C ZINC000116445639 344286792 /nfs/dbraw/zinc/28/67/92/344286792.db2.gz RJMUEHMBOAVHHB-ZDUSSCGKSA-N 0 3 264.369 2.423 10 0 CEAEHN COC(=O)c1csc(CN2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000602472191 347046738 /nfs/dbraw/zinc/04/67/38/347046738.db2.gz OXUXDXZEYHBUKM-WCQYABFASA-N 0 3 294.420 2.203 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cccc(C)c2C)C1 ZINC000134437228 344373958 /nfs/dbraw/zinc/37/39/58/344373958.db2.gz ASEGTQYJXUGLHM-INIZCTEOSA-N 0 3 262.397 2.114 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(OC)c(Cl)c2)C1 ZINC000135178953 344380470 /nfs/dbraw/zinc/38/04/70/344380470.db2.gz QYCREIKIQNSTTN-CYBMUJFWSA-N 0 3 298.814 2.159 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCC2=CCCCC2)C1 ZINC000170861330 344492022 /nfs/dbraw/zinc/49/20/22/344492022.db2.gz FJZCLYSDBOBHIP-CQSZACIVSA-N 0 3 265.401 2.222 10 0 CEAEHN C[C@H](NC[C@H](O)COC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000192477531 344517235 /nfs/dbraw/zinc/51/72/35/344517235.db2.gz KCMGXPGXHXMPOQ-AAEUAGOBSA-N 0 3 295.379 2.242 10 0 CEAEHN C[C@@H]1CN(C[C@@H](O)COCc2ccccc2)C[C@H](C)S1 ZINC000226673106 344550925 /nfs/dbraw/zinc/55/09/25/344550925.db2.gz GLDUWTVWYYESIM-IJEWVQPXSA-N 0 3 295.448 2.390 10 0 CEAEHN Cn1ncc(Br)c1[C@@H](N)[C@H]1CC1(C)C ZINC000236085086 344594288 /nfs/dbraw/zinc/59/42/88/344594288.db2.gz VWXQWLCDECFFOX-SVRRBLITSA-N 0 3 258.163 2.229 10 0 CEAEHN CCOC(=O)C[C@@H](O)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000234009054 344582767 /nfs/dbraw/zinc/58/27/67/344582767.db2.gz ZYNLONXISMFRJR-WCQYABFASA-N 0 3 283.343 2.099 10 0 CEAEHN CN(Cc1ccc2ccccc2n1)CC1(O)CCOCC1 ZINC000162243437 529991673 /nfs/dbraw/zinc/99/16/73/529991673.db2.gz DRBLRKCMYRQVGW-UHFFFAOYSA-N 0 3 286.375 2.208 10 0 CEAEHN CC[C@@H](N[C@@H]1CCCNC1=O)c1ccc(F)cc1 ZINC000050394472 362418320 /nfs/dbraw/zinc/41/83/20/362418320.db2.gz QNQDEOMDCRPBSB-CHWSQXEVSA-N 0 3 250.317 2.145 10 0 CEAEHN NCc1c(Br)ccnc1OC(F)(F)F ZINC000238589555 344606984 /nfs/dbraw/zinc/60/69/84/344606984.db2.gz UYVGKLGKELIVKO-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN N[C@@H](CF)c1ccccc1I ZINC000238575259 344607214 /nfs/dbraw/zinc/60/72/14/344607214.db2.gz UCDHVGQEIBTLMN-QMMMGPOBSA-N 0 3 265.069 2.261 10 0 CEAEHN Cn1nc(CNC[C@H](O)C(C)(C)C)c2ccccc21 ZINC000324255310 344754258 /nfs/dbraw/zinc/75/42/58/344754258.db2.gz FQRBBHITIJBTCT-AWEZNQCLSA-N 0 3 261.369 2.070 10 0 CEAEHN CCCC[S@](=O)C[C@@H](N)c1ccc2c(c1)OCCCO2 ZINC000084038512 178776576 /nfs/dbraw/zinc/77/65/76/178776576.db2.gz DUFKNFUDANPSGB-ZUOKHONESA-N 0 3 297.420 2.397 10 0 CEAEHN Oc1ccc(-c2nc3cc(C4=NCCN4)ccc3[nH]2)cc1 ZINC000584645624 344972569 /nfs/dbraw/zinc/97/25/69/344972569.db2.gz ARSNWZHNSKBMQJ-UHFFFAOYSA-N 0 3 278.315 2.285 10 0 CEAEHN Clc1cncnc1NCCCNCc1cccnc1 ZINC000097848143 232187383 /nfs/dbraw/zinc/18/73/83/232187383.db2.gz HDOVMSUDGCSNRZ-UHFFFAOYSA-N 0 3 277.759 2.117 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000057870260 362598084 /nfs/dbraw/zinc/59/80/84/362598084.db2.gz OBTJBWAWZPWGLD-HZSPNIEDSA-N 0 3 267.417 2.158 10 0 CEAEHN c1ncn([C@H]2CCCN(CCCOc3ccccc3)C2)n1 ZINC000171703497 232269473 /nfs/dbraw/zinc/26/94/73/232269473.db2.gz IITIDEAGCXTNKX-HNNXBMFYSA-N 0 3 286.379 2.384 10 0 CEAEHN CCN[C@@H](Cc1c(C)nn(C)c1Cl)c1ccnnc1 ZINC000097391693 185597411 /nfs/dbraw/zinc/59/74/11/185597411.db2.gz SVVGSBHFPPYOTM-LBPRGKRZSA-N 0 3 279.775 2.065 10 0 CEAEHN COCCOc1ccccc1[C@H](N)COC(C)C ZINC000097415100 185598958 /nfs/dbraw/zinc/59/89/58/185598958.db2.gz OVHBUSMLCJOGSB-CYBMUJFWSA-N 0 3 253.342 2.137 10 0 CEAEHN COc1ccc2c(c1)[C@H](NC[C@H](C)CCO)CCO2 ZINC000097436434 185604007 /nfs/dbraw/zinc/60/40/07/185604007.db2.gz FELKUXDRYVJBND-BXUZGUMPSA-N 0 3 265.353 2.127 10 0 CEAEHN CCC(CC)([C@@H](NN)c1cc(F)ccc1OC)N(C)C ZINC000097586553 185632199 /nfs/dbraw/zinc/63/21/99/185632199.db2.gz CGZLWGZDWVHZBG-AWEZNQCLSA-N 0 3 283.391 2.459 10 0 CEAEHN CN[C@@](CO)(CSCC(C)C)c1ccccc1 ZINC000085297865 179009278 /nfs/dbraw/zinc/00/92/78/179009278.db2.gz UUDSPDPMVFNCJH-AWEZNQCLSA-N 0 3 253.411 2.483 10 0 CEAEHN CN[C@](CO)(CSCC(C)C)c1ccccc1 ZINC000085297868 179009296 /nfs/dbraw/zinc/00/92/96/179009296.db2.gz UUDSPDPMVFNCJH-CQSZACIVSA-N 0 3 253.411 2.483 10 0 CEAEHN N[C@H]1COC[C@@H]1c1nc2cc(Br)ccc2s1 ZINC000085352953 179029545 /nfs/dbraw/zinc/02/95/45/179029545.db2.gz CPYJUPLFOALELO-YUMQZZPRSA-N 0 3 299.193 2.500 10 0 CEAEHN N[C@@H]1COC[C@@H]1c1nc2cc(Cl)ccc2s1 ZINC000085352943 179029697 /nfs/dbraw/zinc/02/96/97/179029697.db2.gz BDHCNQJDGPQBQO-JGVFFNPUSA-N 0 3 254.742 2.391 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000062969409 362737679 /nfs/dbraw/zinc/73/76/79/362737679.db2.gz HAIZDYWPUHKFGZ-SNVBAGLBSA-N 0 3 270.735 2.255 10 0 CEAEHN CN1CCC(n2c3c(nc2C2CCCC2)CNCC3)CC1 ZINC000085606260 179100287 /nfs/dbraw/zinc/10/02/87/179100287.db2.gz LKSUQQPDDCPNNX-UHFFFAOYSA-N 0 3 288.439 2.453 10 0 CEAEHN CCC[C@@H](N)C(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000236892952 370648020 /nfs/dbraw/zinc/64/80/20/370648020.db2.gz KGTUDLOPMZMHEG-CQSZACIVSA-N 0 3 278.396 2.398 10 0 CEAEHN NCc1ccccc1NC(=O)c1n[nH]c2ccccc21 ZINC000085810436 179177512 /nfs/dbraw/zinc/17/75/12/179177512.db2.gz NOKNNEJQUCDLKF-UHFFFAOYSA-N 0 3 266.304 2.274 10 0 CEAEHN C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@H](N)Cc1ccccc1 ZINC000086075456 179225185 /nfs/dbraw/zinc/22/51/85/179225185.db2.gz LUTGZTCGWDFWGE-MXYBEHONSA-N 0 3 260.381 2.107 10 0 CEAEHN CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2CN)[C@@H]1C ZINC000086091438 179228969 /nfs/dbraw/zinc/22/89/69/179228969.db2.gz YYXOKMFHMQNMGB-BZPMIXESSA-N 0 3 296.436 2.248 10 0 CEAEHN C[C@H]1CN(c2nc(Br)cs2)C[C@H](C)N1 ZINC000086278404 179262644 /nfs/dbraw/zinc/26/26/44/179262644.db2.gz FUPPPKNCKXZBDL-BQBZGAKWSA-N 0 3 276.203 2.092 10 0 CEAEHN CN1C(=O)CCC[C@@H](N)[C@H]1c1ccc2ccccc2n1 ZINC000086317417 179270171 /nfs/dbraw/zinc/27/01/71/179270171.db2.gz JNYCWOVONSPKGI-WBMJQRKESA-N 0 3 269.348 2.246 10 0 CEAEHN CCCCC[C@H](C)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000103322080 185829329 /nfs/dbraw/zinc/82/93/29/185829329.db2.gz GNCMZQZUWDLGFW-RYUDHWBXSA-N 0 3 254.374 2.081 10 0 CEAEHN c1ncn(C[C@H]2CCCN(Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000128626334 187380828 /nfs/dbraw/zinc/38/08/28/187380828.db2.gz CPOUDJAZSDNFOC-AWEZNQCLSA-N 0 3 296.378 2.067 10 0 CEAEHN CC(C)CN1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086443968 179293607 /nfs/dbraw/zinc/29/36/07/179293607.db2.gz RWVJCGAVMVLVQM-GFCCVEGCSA-N 0 3 294.468 2.257 10 0 CEAEHN CC[C@@H](C)N1CCN(c2nc3c(s2)CCC[C@H]3N)CC1 ZINC000086443961 179293891 /nfs/dbraw/zinc/29/38/91/179293891.db2.gz OQCKUHCLQXLMBQ-VXGBXAGGSA-N 0 3 294.468 2.400 10 0 CEAEHN CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3NC)CCO1 ZINC000086442761 179294047 /nfs/dbraw/zinc/29/40/47/179294047.db2.gz LSQVPHHKGZFBLE-QWRGUYRKSA-N 0 3 281.425 2.355 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(OC)ccc2O)[C@@H](CC)CN1 ZINC000086446219 179295116 /nfs/dbraw/zinc/29/51/16/179295116.db2.gz ORHXIHNGBUUXBX-NEPJUHHUSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2)[C@@H](CC)CN1 ZINC000086446440 179295168 /nfs/dbraw/zinc/29/51/68/179295168.db2.gz HXNQXNPQMDEJSJ-KGLIPLIRSA-N 0 3 276.380 2.303 10 0 CEAEHN CNC(=O)[C@H]1C[C@H](c2cc(C)c(C)cc2C)CCN1 ZINC000086492922 179302687 /nfs/dbraw/zinc/30/26/87/179302687.db2.gz UCJGGKQZINJPQW-UKRRQHHQSA-N 0 3 260.381 2.193 10 0 CEAEHN CCCn1cc(Cl)cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000086467722 179297634 /nfs/dbraw/zinc/29/76/34/179297634.db2.gz VWSKIZRLTYMNTR-QWRGUYRKSA-N 0 3 283.803 2.374 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000086467836 179298052 /nfs/dbraw/zinc/29/80/52/179298052.db2.gz CUNOGNKCFYXCQY-VHSXEESVSA-N 0 3 282.771 2.171 10 0 CEAEHN C[C@@H]1CN[C@@H](C)CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000086467928 179298710 /nfs/dbraw/zinc/29/87/10/179298710.db2.gz XGTJEWOVTMSBDU-JCWGXCKPSA-N 0 3 276.424 2.412 10 0 CEAEHN COc1ccc([C@H](CN)N2CCCO[C@@H](C)C2)cc1Cl ZINC000086595104 179310768 /nfs/dbraw/zinc/31/07/68/179310768.db2.gz LDCDELIAOBBITF-FZMZJTMJSA-N 0 3 298.814 2.459 10 0 CEAEHN CS(=O)(=O)C1(CNC2CC2)CC2(C1)CCCCC2 ZINC000086538012 179306559 /nfs/dbraw/zinc/30/65/59/179306559.db2.gz LUZWWJCLNICBIQ-UHFFFAOYSA-N 0 3 271.426 2.266 10 0 CEAEHN OC1([C@@H]2NCc3ccccc32)Cc2ccccc2C1 ZINC000086666376 179317211 /nfs/dbraw/zinc/31/72/11/179317211.db2.gz ZDEJEGZOGAETRJ-MRXNPFEDSA-N 0 3 251.329 2.361 10 0 CEAEHN C[C@H]1CC[C@@H](C(=O)Nc2cccc(CN(C)C)c2)O1 ZINC000130422163 365954235 /nfs/dbraw/zinc/95/42/35/365954235.db2.gz QAPXZIURLQOCNQ-FZMZJTMJSA-N 0 3 262.353 2.254 10 0 CEAEHN CC[C@@](C)(N)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000086803392 179337272 /nfs/dbraw/zinc/33/72/72/179337272.db2.gz AXGBDWJMIQWSQE-LLVKDONJSA-N 0 3 260.790 2.487 10 0 CEAEHN CC[C@](C)(N)C(=O)NCc1ccccc1Br ZINC000086804938 179338150 /nfs/dbraw/zinc/33/81/50/179338150.db2.gz CKJMDPYIAFUWJE-LBPRGKRZSA-N 0 3 285.185 2.193 10 0 CEAEHN COC(=O)[C@@]1(Nc2ccccc2C)CCCN(C)CC1 ZINC000086819813 179347893 /nfs/dbraw/zinc/34/78/93/179347893.db2.gz FZKMNVFYKYYNME-MRXNPFEDSA-N 0 3 276.380 2.434 10 0 CEAEHN CCN1CCC[C@H](Nc2ccccc2S(C)(=O)=O)CC1 ZINC000086839219 179352029 /nfs/dbraw/zinc/35/20/29/179352029.db2.gz HFSUGQHRTLHFRF-ZDUSSCGKSA-N 0 3 296.436 2.376 10 0 CEAEHN CCN1CCC[C@@H](Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000086841130 179354029 /nfs/dbraw/zinc/35/40/29/179354029.db2.gz YLKFGYRVPSXBQP-CYBMUJFWSA-N 0 3 296.436 2.376 10 0 CEAEHN COC(=O)C[C@](C)(N)c1cccc(Br)c1 ZINC000086851385 179359565 /nfs/dbraw/zinc/35/95/65/179359565.db2.gz UHIZITNIIWWFHB-NSHDSACASA-N 0 3 272.142 2.186 10 0 CEAEHN COC(=O)C[C@](C)(N)c1ccc(F)c(Br)c1 ZINC000086851402 179359668 /nfs/dbraw/zinc/35/96/68/179359668.db2.gz STNJSSNVGIWKBU-NSHDSACASA-N 0 3 290.132 2.325 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869104 179361500 /nfs/dbraw/zinc/36/15/00/179361500.db2.gz LYGYVAFQHCINHS-UKRRQHHQSA-N 0 3 268.401 2.046 10 0 CEAEHN CC(C)N1CCC[C@@H]([N@H+]2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000086869104 179361504 /nfs/dbraw/zinc/36/15/04/179361504.db2.gz LYGYVAFQHCINHS-UKRRQHHQSA-N 0 3 268.401 2.046 10 0 CEAEHN CCN1CCC[C@@](NCc2ccccc2)(C(=O)OC)CC1 ZINC000086849889 179358301 /nfs/dbraw/zinc/35/83/01/179358301.db2.gz UDMXMCDNPYAGPM-KRWDZBQOSA-N 0 3 290.407 2.194 10 0 CEAEHN CC[C@@H](C)[NH2+][C@@]1(C(=O)[O-])CCCN(C(C)C)CC1 ZINC000086850483 179358651 /nfs/dbraw/zinc/35/86/51/179358651.db2.gz KEVBEDFKHRUWCV-OCCSQVGLSA-N 0 3 256.390 2.092 10 0 CEAEHN COc1ccc([C@H](CN)N(C)[C@@H]2CCSC2)cc1F ZINC000086983558 179373653 /nfs/dbraw/zinc/37/36/53/179373653.db2.gz LGSBYCJLMRXRLQ-YPMHNXCESA-N 0 3 284.400 2.271 10 0 CEAEHN COC(=O)[C@@]1(NCCN(C)C)CCC[C@@H](C(C)C)CC1 ZINC000086949895 179368918 /nfs/dbraw/zinc/36/89/18/179368918.db2.gz WXDMLHAHNZGGRH-GDBMZVCRSA-N 0 3 284.444 2.286 10 0 CEAEHN CCS(=O)(=O)CCC[C@](C)(N)c1ccccc1OC ZINC000086977390 179372138 /nfs/dbraw/zinc/37/21/38/179372138.db2.gz OLORAGKLVFTLHB-AWEZNQCLSA-N 0 3 285.409 2.084 10 0 CEAEHN CCn1nccc1[C@H](NC)[C@H]1CSCCS1 ZINC000086984813 179374218 /nfs/dbraw/zinc/37/42/18/179374218.db2.gz USRAECFTUZKURR-MNOVXSKESA-N 0 3 257.428 2.012 10 0 CEAEHN COc1ccc([C@H]2[C@@H](N)CC(=O)N2C(C)(C)C)cc1F ZINC000086995277 179376182 /nfs/dbraw/zinc/37/61/82/179376182.db2.gz KEXVHBIRTFJPMA-FZMZJTMJSA-N 0 3 280.343 2.234 10 0 CEAEHN COc1ccc([C@@H]2[C@@H](N)CC(=O)N2CC(C)C)cc1F ZINC000086995285 179376308 /nfs/dbraw/zinc/37/63/08/179376308.db2.gz ARWQQVVLXGJVPO-SWLSCSKDSA-N 0 3 280.343 2.091 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2ccc(OC)c(OC)c2OC)O1 ZINC000087090153 179394227 /nfs/dbraw/zinc/39/42/27/179394227.db2.gz KLEMKDHVFCMPEM-GWCFXTLKSA-N 0 3 281.352 2.152 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2ccc(OC)c(OC)c2OC)O1 ZINC000087090152 179394355 /nfs/dbraw/zinc/39/43/55/179394355.db2.gz KLEMKDHVFCMPEM-MFKMUULPSA-N 0 3 281.352 2.152 10 0 CEAEHN COc1ccc([C@H]2CNCC(C)(C)O2)c(OC)c1OC ZINC000087090370 179394459 /nfs/dbraw/zinc/39/44/59/179394459.db2.gz QUQKOSXJRGYTMH-GFCCVEGCSA-N 0 3 281.352 2.152 10 0 CEAEHN CCCSCc1nc(C)c(CNCCOC)c(C)n1 ZINC000087108248 179395726 /nfs/dbraw/zinc/39/57/26/179395726.db2.gz RAUWECLBVJTOKK-UHFFFAOYSA-N 0 3 283.441 2.473 10 0 CEAEHN CCOc1cc2c(cc1[C@@H]1CNC[C@@H](C)O1)O[C@H](C)C2 ZINC000087090121 179394077 /nfs/dbraw/zinc/39/40/77/179394077.db2.gz AWBVVFUESIPLCM-UVWXRNBGSA-N 0 3 277.364 2.458 10 0 CEAEHN CCN[C@@H](COC)Cc1nc(CSC(C)(C)C)no1 ZINC000087120508 179396433 /nfs/dbraw/zinc/39/64/33/179396433.db2.gz OAGPYSZXGGYBCZ-SNVBAGLBSA-N 0 3 287.429 2.268 10 0 CEAEHN CCN1CCC[C@H](NCc2nc3ccccc3n2C)C1 ZINC000066989202 362897294 /nfs/dbraw/zinc/89/72/94/362897294.db2.gz MRGSXLATZMKKFA-ZDUSSCGKSA-N 0 3 272.396 2.147 10 0 CEAEHN CC[C@H](C)[C@@H](CS(=O)(=O)c1cccs1)NC ZINC000087539890 179443606 /nfs/dbraw/zinc/44/36/06/179443606.db2.gz JXXDVAMXGSMCNK-VHSXEESVSA-N 0 3 261.412 2.156 10 0 CEAEHN CC(C)N1CCOC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616660537 348551674 /nfs/dbraw/zinc/55/16/74/348551674.db2.gz LZCVBEKNKWOKSH-HNNXBMFYSA-N 0 3 271.364 2.454 10 0 CEAEHN CCOC(=O)c1ccccc1[C@H]1CCCCN(CCO)C1 ZINC000616629919 348540369 /nfs/dbraw/zinc/54/03/69/348540369.db2.gz WLAFCDVQYJJLTC-AWEZNQCLSA-N 0 3 291.391 2.425 10 0 CEAEHN CC(=O)Nc1cccc([C@@H]2CNCCN2C(C)(C)C)c1 ZINC000616636514 348542215 /nfs/dbraw/zinc/54/22/15/348542215.db2.gz CPPQZMPIXFGFNK-HNNXBMFYSA-N 0 3 275.396 2.390 10 0 CEAEHN CC(C)=CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000616569782 348523579 /nfs/dbraw/zinc/52/35/79/348523579.db2.gz KEKQDCDKHUZGNN-GJZGRUSLSA-N 0 3 276.355 2.435 10 0 CEAEHN CCN1CCOC[C@@H](c2cccc3nnccc32)C1 ZINC000616599500 348530420 /nfs/dbraw/zinc/53/04/20/348530420.db2.gz ZTYQIBSPMGDECD-LBPRGKRZSA-N 0 3 257.337 2.066 10 0 CEAEHN CC(=O)Nc1ccc([C@H]2CCCCN2CCO)cc1 ZINC000616614026 348534943 /nfs/dbraw/zinc/53/49/43/348534943.db2.gz GKRIQKGRDZTAEB-OAHLLOKOSA-N 0 3 262.353 2.164 10 0 CEAEHN OCCN1CCCC[C@H]1c1cccc2nnccc21 ZINC000616616140 348535022 /nfs/dbraw/zinc/53/50/22/348535022.db2.gz JFWZZRDNRLNKAE-HNNXBMFYSA-N 0 3 257.337 2.149 10 0 CEAEHN OCCN1CCCC[C@@H]1c1cc2ccccc2nn1 ZINC000616613965 348535108 /nfs/dbraw/zinc/53/51/08/348535108.db2.gz GBCPIOSJQKOIPO-OAHLLOKOSA-N 0 3 257.337 2.149 10 0 CEAEHN OCCN1CCC[C@H](c2ccc3ccccc3n2)C1 ZINC000616617927 348536005 /nfs/dbraw/zinc/53/60/05/348536005.db2.gz MZTVMHQXZCUPEZ-AWEZNQCLSA-N 0 3 256.349 2.407 10 0 CEAEHN CC[C@H](NC(=O)[C@H]1CNCc2ccccc21)C(C)C ZINC000087618700 539651999 /nfs/dbraw/zinc/65/19/99/539651999.db2.gz YLMRDSCMZHTGRY-GJZGRUSLSA-N 0 3 260.381 2.424 10 0 CEAEHN c1coc([C@H]2COCCN(Cc3ccccc3)C2)n1 ZINC000616662049 348552832 /nfs/dbraw/zinc/55/28/32/348552832.db2.gz FJHGJDUUUPWZKP-CQSZACIVSA-N 0 3 258.321 2.291 10 0 CEAEHN c1cc([C@H]2COCCN(Cc3ccccc3)C2)n[nH]1 ZINC000616662083 348552848 /nfs/dbraw/zinc/55/28/48/348552848.db2.gz GFPZZTOWERJPJY-CQSZACIVSA-N 0 3 257.337 2.026 10 0 CEAEHN C[C@H](NC[C@@H]1CCC[C@@H]1O)c1nc2ccccc2n1C ZINC000089162191 179731153 /nfs/dbraw/zinc/73/11/53/179731153.db2.gz HFPYBKPZBIITFY-HUBLWGQQSA-N 0 3 273.380 2.385 10 0 CEAEHN CCn1cncc1[C@@H](CN)N(C)Cc1cccc(C)c1 ZINC000090174495 179926122 /nfs/dbraw/zinc/92/61/22/179926122.db2.gz SNDSJIQDWINTPN-OAHLLOKOSA-N 0 3 272.396 2.343 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(Cl)c(OC)c2)C1 ZINC000623408187 350011059 /nfs/dbraw/zinc/01/10/59/350011059.db2.gz MJSONWRIWCHEQY-ZDUSSCGKSA-N 0 3 298.814 2.159 10 0 CEAEHN CCCCOc1ccc(CN[C@H]2CCOC[C@@H]2O)cc1 ZINC000623763802 350105608 /nfs/dbraw/zinc/10/56/08/350105608.db2.gz QDUFDRNCEPTYFW-HOTGVXAUSA-N 0 3 279.380 2.105 10 0 CEAEHN C[C@@]1(c2nc(-c3ccc(Cl)cc3)no2)COC[C@H]1N ZINC000090573125 180007686 /nfs/dbraw/zinc/00/76/86/180007686.db2.gz BYWCLPGYUDPPHL-ZWNOBZJWSA-N 0 3 279.727 2.005 10 0 CEAEHN CC(C)n1c2ccccc2nc1[C@@]1(C)COC[C@H]1N ZINC000090571671 180007955 /nfs/dbraw/zinc/00/79/55/180007955.db2.gz HRCYJYMZMDYYIO-HIFRSBDPSA-N 0 3 259.353 2.232 10 0 CEAEHN CC(C)c1cccc(NC(=O)[C@@]2(C)COC[C@H]2N)c1 ZINC000090582358 180008740 /nfs/dbraw/zinc/00/87/40/180008740.db2.gz HDJMXRFUKTYWNQ-HIFRSBDPSA-N 0 3 262.353 2.112 10 0 CEAEHN C[C@H](OCCn1cc(CNC(C)(C)C)nn1)C(F)(F)F ZINC000090675446 180022491 /nfs/dbraw/zinc/02/24/91/180022491.db2.gz XZLMYFXKYUJGDM-VIFPVBQESA-N 0 3 294.321 2.134 10 0 CEAEHN CCC(CC)C(=O)N1CCCSC[C@H]1CN(C)C ZINC000090699759 180027809 /nfs/dbraw/zinc/02/78/09/180027809.db2.gz ZBQNPTPTABAQDN-CYBMUJFWSA-N 0 3 272.458 2.318 10 0 CEAEHN CCOc1cc(N2CCNCc3ccccc32)ncn1 ZINC000090784334 180039682 /nfs/dbraw/zinc/03/96/82/180039682.db2.gz LLSOMYGTRHXUJQ-UHFFFAOYSA-N 0 3 270.336 2.117 10 0 CEAEHN C[C@H](CN[C@H]1CCCc2sccc21)[S@](C)=O ZINC000090841618 180043831 /nfs/dbraw/zinc/04/38/31/180043831.db2.gz UCTZOCIHZYQIMF-SEFYAATASA-N 0 3 257.424 2.482 10 0 CEAEHN COCCN(C)CCNc1snc2ccccc21 ZINC000090869173 180049098 /nfs/dbraw/zinc/04/90/98/180049098.db2.gz PCWBGRNUYBSLGG-UHFFFAOYSA-N 0 3 265.382 2.286 10 0 CEAEHN CNCc1c(C)nn(C[C@@H]2Cc3cc(F)ccc3O2)c1C ZINC000090894371 180055678 /nfs/dbraw/zinc/05/56/78/180055678.db2.gz LNHSJHICUJCGBS-AWEZNQCLSA-N 0 3 289.354 2.362 10 0 CEAEHN CNCc1cnc(C)n1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895629 180056108 /nfs/dbraw/zinc/05/61/08/180056108.db2.gz BZBCWWWEQNPBTN-AWEZNQCLSA-N 0 3 275.327 2.054 10 0 CEAEHN CCCOc1ccc([C@H](N)CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090906072 180060831 /nfs/dbraw/zinc/06/08/31/180060831.db2.gz CPUWYNNKNHGSSJ-IXDOHACOSA-N 0 3 290.407 2.338 10 0 CEAEHN NC[C@H](c1ccccc1OC(F)F)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905804 180060927 /nfs/dbraw/zinc/06/09/27/180060927.db2.gz FJFBWVOEAHJIDD-NTZNESFSSA-N 0 3 298.333 2.151 10 0 CEAEHN Cc1cccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000090905810 180061063 /nfs/dbraw/zinc/06/10/63/180061063.db2.gz JCPDEAJYNLTRMY-LZWOXQAQSA-N 0 3 260.381 2.166 10 0 CEAEHN CN[C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907555 180062040 /nfs/dbraw/zinc/06/20/40/180062040.db2.gz NARGXNBRSPSXDS-ZENOOKHLSA-N 0 3 278.371 2.340 10 0 CEAEHN CNCc1sc(N2C[C@H]3CC[C@@H](C2)O3)nc1C1CC1 ZINC000090908189 180062364 /nfs/dbraw/zinc/06/23/64/180062364.db2.gz RUUJLVAKJOSGKD-PHIMTYICSA-N 0 3 279.409 2.108 10 0 CEAEHN Nc1ccsc1CNC[C@@H]1COc2ccccc2O1 ZINC000090959170 180075256 /nfs/dbraw/zinc/07/52/56/180075256.db2.gz RFCMAAKHFIMBKB-SNVBAGLBSA-N 0 3 276.361 2.260 10 0 CEAEHN CCOC(=O)CCCNCc1sccc1NC(C)=O ZINC000090960801 180076290 /nfs/dbraw/zinc/07/62/90/180076290.db2.gz RVIXVPXGJOBBMB-UHFFFAOYSA-N 0 3 284.381 2.139 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1C[C@@H]1Cc2ccccc21 ZINC000090993372 180082235 /nfs/dbraw/zinc/08/22/35/180082235.db2.gz OJXCCBAXHQFJAU-XJKSGUPXSA-N 0 3 270.376 2.069 10 0 CEAEHN COCCNCc1cn(CC(C)C)c2ncccc12 ZINC000091021243 180088706 /nfs/dbraw/zinc/08/87/06/180088706.db2.gz QZFVWFUQSWQHMG-UHFFFAOYSA-N 0 3 261.369 2.428 10 0 CEAEHN CCCN[C@@H](CC(=O)OC)c1cncn1C(C)C ZINC000091274095 180118617 /nfs/dbraw/zinc/11/86/17/180118617.db2.gz CIJVBKPLLDTKOH-NSHDSACASA-N 0 3 253.346 2.068 10 0 CEAEHN CC(C)(C)c1csc(NC(=O)C[C@@H]2CSCCN2)n1 ZINC000091290498 180121868 /nfs/dbraw/zinc/12/18/68/180121868.db2.gz PDMVNZJKEDRFEJ-SECBINFHSA-N 0 3 299.465 2.474 10 0 CEAEHN CC[C@@H]1CCC[C@@H](c2noc(C[C@@H]3CNCCO3)n2)C1 ZINC000091295193 180124497 /nfs/dbraw/zinc/12/44/97/180124497.db2.gz KQFPODMCMWANRK-JHJVBQTASA-N 0 3 279.384 2.284 10 0 CEAEHN CCOc1cc2c(cc1CNC1CC(O)C1)O[C@@H](C)C2 ZINC000091432157 180153903 /nfs/dbraw/zinc/15/39/03/180153903.db2.gz PEYAKJMNWFVXHC-FNBIGBAISA-N 0 3 277.364 2.022 10 0 CEAEHN CCOc1cccc(Oc2cncc(CNC)n2)c1 ZINC000091435140 180154375 /nfs/dbraw/zinc/15/43/75/180154375.db2.gz VPDSJPMEWOPACT-UHFFFAOYSA-N 0 3 259.309 2.387 10 0 CEAEHN CCNCc1cncc(Oc2ccc3c(c2)OCO3)n1 ZINC000091434103 180154669 /nfs/dbraw/zinc/15/46/69/180154669.db2.gz WGTYQZPOSHPTPH-UHFFFAOYSA-N 0 3 273.292 2.107 10 0 CEAEHN CN(Cc1ccc(N)cc1Cl)CC1CC(O)C1 ZINC000091450835 180159194 /nfs/dbraw/zinc/15/91/94/180159194.db2.gz AIZPQMJXMKBWFU-UHFFFAOYSA-N 0 3 254.761 2.125 10 0 CEAEHN C[C@H](c1ccccc1F)N(C)c1cncc(CN)n1 ZINC000091421291 180150469 /nfs/dbraw/zinc/15/04/69/180150469.db2.gz NWCCEDROLXRVIB-SNVBAGLBSA-N 0 3 260.316 2.272 10 0 CEAEHN Cc1nn(-c2cncc(CNC(C)C)n2)c(C)c1Cl ZINC000091422263 180151168 /nfs/dbraw/zinc/15/11/68/180151168.db2.gz URZXFYRIUMJOMW-UHFFFAOYSA-N 0 3 279.775 2.431 10 0 CEAEHN CC(C)NCc1cncc(-n2ccc(C3CC3)n2)n1 ZINC000091422506 180151216 /nfs/dbraw/zinc/15/12/16/180151216.db2.gz VTUABBCGVRIZRH-UHFFFAOYSA-N 0 3 257.341 2.038 10 0 CEAEHN CCN[C@H](c1cncnc1)C(C)(C)N1CCCCC1 ZINC000091565079 180193658 /nfs/dbraw/zinc/19/36/58/180193658.db2.gz OAWXYGQSIZZQNB-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN Cc1ccc([C@@H](N)C(C)(C)N2CCOCC2)cc1C ZINC000091566308 180194070 /nfs/dbraw/zinc/19/40/70/180194070.db2.gz PEPXOAQWCIMSSU-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN CCCN[C@@H](c1cnccn1)[C@](C)(CC)N(C)C ZINC000091571782 180196079 /nfs/dbraw/zinc/19/60/79/180196079.db2.gz QTZLKZYICBQNLU-KBPBESRZSA-N 0 3 250.390 2.248 10 0 CEAEHN CCN(CC)[C@](C)(CC)[C@@H](NC)c1nccn1C ZINC000091599373 180201919 /nfs/dbraw/zinc/20/19/19/180201919.db2.gz XNMCTUSIGWCWMM-GXTWGEPZSA-N 0 3 252.406 2.191 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cccc(OC)c1)N1CCOCC1 ZINC000091611692 180206581 /nfs/dbraw/zinc/20/65/81/180206581.db2.gz JKLUNDRWURJEKC-JKSUJKDBSA-N 0 3 278.396 2.196 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccccc1C)N1CCOCC1 ZINC000091611583 180206741 /nfs/dbraw/zinc/20/67/41/180206741.db2.gz GLCCFDJARMQWNG-HOTGVXAUSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cccc(F)c1)N1CCOCC1 ZINC000091611908 180206756 /nfs/dbraw/zinc/20/67/56/180206756.db2.gz XRQRLPINLNCCPW-LSDHHAIUSA-N 0 3 266.360 2.326 10 0 CEAEHN CCN[C@H](c1cnccn1)C(CC)(CC)N(C)C ZINC000091614670 180208164 /nfs/dbraw/zinc/20/81/64/180208164.db2.gz RGEKQOWXNJQLPC-CYBMUJFWSA-N 0 3 250.390 2.248 10 0 CEAEHN COC(=O)[C@]1(Nc2cc(C)cc(F)c2)CN2CCC1CC2 ZINC000091514828 180176679 /nfs/dbraw/zinc/17/66/79/180176679.db2.gz IMHZZMNTYUZPDS-INIZCTEOSA-N 0 3 292.354 2.183 10 0 CEAEHN COC(=O)[C@@]1(Nc2cc(C)cc(F)c2)CN2CCC1CC2 ZINC000091514826 180176697 /nfs/dbraw/zinc/17/66/97/180176697.db2.gz IMHZZMNTYUZPDS-MRXNPFEDSA-N 0 3 292.354 2.183 10 0 CEAEHN Cc1cc(F)cc(N[C@@]2(CO)CCN(C3CC3)C2)c1 ZINC000091517827 180177623 /nfs/dbraw/zinc/17/76/23/180177623.db2.gz UUXKFXKDMWQEHQ-HNNXBMFYSA-N 0 3 264.344 2.145 10 0 CEAEHN Cc1cc(F)cc(-n2cc(CNCC(C)C)nn2)c1 ZINC000091527581 180179323 /nfs/dbraw/zinc/17/93/23/180179323.db2.gz NIDOQFXPLKMSKU-UHFFFAOYSA-N 0 3 262.332 2.460 10 0 CEAEHN CN[C@H](c1cc(Cl)cnc1N)C(C)(C)N1CCCC1 ZINC000091534381 180181269 /nfs/dbraw/zinc/18/12/69/180181269.db2.gz MSYJQWUEANQCMI-GFCCVEGCSA-N 0 3 282.819 2.452 10 0 CEAEHN COc1ccccc1[C@@H](N)C1(N2CCOCC2)CCCC1 ZINC000091642859 180213899 /nfs/dbraw/zinc/21/38/99/180213899.db2.gz QUIGVICLNSSZTG-MRXNPFEDSA-N 0 3 290.407 2.340 10 0 CEAEHN CC(C)Cn1ncnc1CC(=O)C1(N(C)C)CCCCC1 ZINC000091646403 180215240 /nfs/dbraw/zinc/21/52/40/180215240.db2.gz LCLWDHQYWISVJE-UHFFFAOYSA-N 0 3 292.427 2.310 10 0 CEAEHN Cc1cnc(Cl)nc1NCCN1CCCCC1 ZINC000091658591 180218584 /nfs/dbraw/zinc/21/85/84/180218584.db2.gz AVUUAVUFVSGWPX-UHFFFAOYSA-N 0 3 254.765 2.336 10 0 CEAEHN CN[C@@H](c1cc(C)c(C)cc1C)[C@@H]1CN(C)CCO1 ZINC000091717507 180232489 /nfs/dbraw/zinc/23/24/89/180232489.db2.gz IZMQZPBQTASTQP-HOTGVXAUSA-N 0 3 262.397 2.203 10 0 CEAEHN CCN[C@@H](c1ccc(F)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718714 180233144 /nfs/dbraw/zinc/23/31/44/180233144.db2.gz ZBAYTFDSEJKCDT-GJZGRUSLSA-N 0 3 266.360 2.115 10 0 CEAEHN CCN[C@@H](c1ccc(C)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718698 180233746 /nfs/dbraw/zinc/23/37/46/180233746.db2.gz LQTOVMGJAJBKDF-HOTGVXAUSA-N 0 3 262.397 2.285 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1ccc(F)cc1Cl ZINC000624235734 350239355 /nfs/dbraw/zinc/23/93/55/350239355.db2.gz ONCWQCBIQHJDAC-AQUOVQTQSA-N 0 3 273.735 2.280 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1cccc(OC(F)F)c1 ZINC000624235546 350239441 /nfs/dbraw/zinc/23/94/41/350239441.db2.gz MEWUVVDVHMKWDO-BIMULSAOSA-N 0 3 287.306 2.088 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1cnc2ccsc2c1 ZINC000624237179 350240287 /nfs/dbraw/zinc/24/02/87/350240287.db2.gz RGAPCCOLUXIYMZ-NDMJEZRESA-N 0 3 278.377 2.097 10 0 CEAEHN CN[C@H](c1ccc(F)c(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721237 180237770 /nfs/dbraw/zinc/23/77/70/180237770.db2.gz JNKHDTOIHLRCCJ-BYCMXARLSA-N 0 3 282.334 2.089 10 0 CEAEHN CCC[C@@H](C)NC(=O)Cn1cccc1[C@@H](C)NC ZINC000091801216 180259471 /nfs/dbraw/zinc/25/94/71/180259471.db2.gz VKRLYMOONQHGIJ-VXGBXAGGSA-N 0 3 251.374 2.073 10 0 CEAEHN CN1CCO[C@H](c2nc(CN)c(-c3ccccc3)s2)C1 ZINC000091723185 180241450 /nfs/dbraw/zinc/24/14/50/180241450.db2.gz UEHMDRYQMMQRDD-ZDUSSCGKSA-N 0 3 289.404 2.272 10 0 CEAEHN CN1CCO[C@H](CNCc2ccc(C(C)(C)C)cc2)C1 ZINC000105472689 186058846 /nfs/dbraw/zinc/05/88/46/186058846.db2.gz UFPMMICZUHOLIF-MRXNPFEDSA-N 0 3 276.424 2.404 10 0 CEAEHN CN1CCO[C@H](CNCc2ccc(Cl)c(Cl)c2)C1 ZINC000105472157 186059150 /nfs/dbraw/zinc/05/91/50/186059150.db2.gz LWKFSQSEFMIHNY-LLVKDONJSA-N 0 3 289.206 2.414 10 0 CEAEHN O=C1C2=NNN(c3ccccc3)C2C(=O)N1C1CCCCC1 ZINC000105629295 186065565 /nfs/dbraw/zinc/06/55/65/186065565.db2.gz ZMYZMAKUZJVMIB-KGLIPLIRSA-N 0 3 298.346 2.313 10 0 CEAEHN CCC[C@@H](C)NC(=O)COc1ccc(C)nc1CNCC ZINC000091994947 180301222 /nfs/dbraw/zinc/30/12/22/180301222.db2.gz RAVRMDISRGRSLL-GFCCVEGCSA-N 0 3 293.411 2.183 10 0 CEAEHN CCNCc1nc(C)ccc1OCc1cc(C)on1 ZINC000091994732 180301264 /nfs/dbraw/zinc/30/12/64/180301264.db2.gz NONDTUISQXHZAL-UHFFFAOYSA-N 0 3 261.325 2.375 10 0 CEAEHN CNCc1nc(C)ccc1O[C@@H]1CCC[C@@H](OC)C1 ZINC000091994353 180301284 /nfs/dbraw/zinc/30/12/84/180301284.db2.gz RSJUEKHUHGDOPJ-CHWSQXEVSA-N 0 3 264.369 2.446 10 0 CEAEHN CNCc1nc(C)ccc1OC[C@H]1CCCCO1 ZINC000091994185 180301291 /nfs/dbraw/zinc/30/12/91/180301291.db2.gz RWEYXAJDRHRVKX-GFCCVEGCSA-N 0 3 250.342 2.057 10 0 CEAEHN Cc1ccc(OCC(=O)OC(C)C)c(CNC(C)C)n1 ZINC000091995606 180301902 /nfs/dbraw/zinc/30/19/02/180301902.db2.gz ONJZTMFBSMLCFU-UHFFFAOYSA-N 0 3 280.368 2.218 10 0 CEAEHN COC(=O)[C@@H](C)Oc1ccc(C)nc1CNC(C)(C)C ZINC000091996242 180302323 /nfs/dbraw/zinc/30/23/23/180302323.db2.gz BVLQQRKBGJKEKD-LLVKDONJSA-N 0 3 280.368 2.218 10 0 CEAEHN Cc1ccc([O-])c(CN(C)[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000091996218 180302445 /nfs/dbraw/zinc/30/24/45/180302445.db2.gz ZOZGXGWBIPMCGJ-OCCSQVGLSA-N 0 3 263.385 2.045 10 0 CEAEHN Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)cc1CN ZINC000092113388 180327470 /nfs/dbraw/zinc/32/74/70/180327470.db2.gz NUWZGSJAGZCOCH-BETUJISGSA-N 0 3 296.436 2.039 10 0 CEAEHN c1ccc(OCCN2CCCN(c3cccnn3)CC2)cc1 ZINC000105798222 186072090 /nfs/dbraw/zinc/07/20/90/186072090.db2.gz KZHJPQRKJCNSNS-UHFFFAOYSA-N 0 3 298.390 2.068 10 0 CEAEHN COc1ccc(OC)c([C@H](CN)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000092082630 180319506 /nfs/dbraw/zinc/31/95/06/180319506.db2.gz IMGAPXATNOTWMZ-HUBLWGQQSA-N 0 3 278.396 2.291 10 0 CEAEHN Cc1nccc(CNC[C@@H]2COc3ccccc32)n1 ZINC000092299834 180358967 /nfs/dbraw/zinc/35/89/67/180358967.db2.gz WMOUFEJDLWMYBH-GFCCVEGCSA-N 0 3 255.321 2.051 10 0 CEAEHN Cc1cnn([C@H]2CCCN(Cc3c(C)nn(C)c3C)C2)c1 ZINC000105901786 186088337 /nfs/dbraw/zinc/08/83/37/186088337.db2.gz QYVRGRSUSIFMFL-HNNXBMFYSA-N 0 3 287.411 2.379 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(F)c2F)CCN1C[C@@H](C)O ZINC000106103338 186102726 /nfs/dbraw/zinc/10/27/26/186102726.db2.gz GAZXBZXGWWLCNK-OCCSQVGLSA-N 0 3 298.377 2.242 10 0 CEAEHN CCCNc1cccc(CN2CC[C@H](COC)C2)n1 ZINC000092371114 180370455 /nfs/dbraw/zinc/37/04/55/180370455.db2.gz YRCZXCDZBPTWTE-ZDUSSCGKSA-N 0 3 263.385 2.372 10 0 CEAEHN CCc1ccc([C@H](C)NC[C@H]2CN(C)CCO2)cc1 ZINC000106388070 186112971 /nfs/dbraw/zinc/11/29/71/186112971.db2.gz BIZJMJQBNUGBDX-BBRMVZONSA-N 0 3 262.397 2.230 10 0 CEAEHN Cc1cn2c(CN[C@@H](CO)C(C)C)c(C)nc2s1 ZINC000092393211 180376239 /nfs/dbraw/zinc/37/62/39/180376239.db2.gz VMJZVJJGNWAWHF-NSHDSACASA-N 0 3 267.398 2.119 10 0 CEAEHN COc1ccccc1CN(C)Cc1cc(N)ccn1 ZINC000092418574 180380818 /nfs/dbraw/zinc/38/08/18/180380818.db2.gz NPSAFDGNLZYVEI-UHFFFAOYSA-N 0 3 257.337 2.304 10 0 CEAEHN CCNc1ccnc(CSCCC(=O)OC)c1 ZINC000092420901 180382384 /nfs/dbraw/zinc/38/23/84/180382384.db2.gz AOEDXCYJEVORQD-UHFFFAOYSA-N 0 3 254.355 2.310 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](n1cc(C)cn1)CC2 ZINC000092386108 180373654 /nfs/dbraw/zinc/37/36/54/180373654.db2.gz PSHXFHYYYSUBAG-GJZGRUSLSA-N 0 3 257.337 2.387 10 0 CEAEHN CCN[C@@H]1c2cc(OC)ccc2CC[C@@H]1OCCOC ZINC000092386358 180374025 /nfs/dbraw/zinc/37/40/25/180374025.db2.gz KRIPJHZQNUWLAB-JKSUJKDBSA-N 0 3 279.380 2.324 10 0 CEAEHN COC[C@H](N)Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000109513888 186258036 /nfs/dbraw/zinc/25/80/36/186258036.db2.gz NKZNTUUEZFMBPP-MRVPVSSYSA-N 0 3 285.706 2.045 10 0 CEAEHN COC[C@@H](N)Cc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000109513890 186258145 /nfs/dbraw/zinc/25/81/45/186258145.db2.gz NKZNTUUEZFMBPP-QMMMGPOBSA-N 0 3 285.706 2.045 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=S)NCc1ccccc1 ZINC000109671218 186268418 /nfs/dbraw/zinc/26/84/18/186268418.db2.gz GSYRFVDPOFCPEF-CQSZACIVSA-N 0 3 277.437 2.087 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=S)NCCc1ccccc1 ZINC000109670945 186268529 /nfs/dbraw/zinc/26/85/29/186268529.db2.gz AZWXQWQGVBBZPQ-OAHLLOKOSA-N 0 3 291.464 2.130 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=S)NCc1ccc(F)cc1 ZINC000109671150 186268999 /nfs/dbraw/zinc/26/89/99/186268999.db2.gz CXQQPHLLWMUFRY-AWEZNQCLSA-N 0 3 295.427 2.226 10 0 CEAEHN Cc1cc(C)cc(CN2CCN([C@@H](C)C(N)=S)CC2)c1 ZINC000109468510 186253637 /nfs/dbraw/zinc/25/36/37/186253637.db2.gz ZXCWOTDFTOBRCO-AWEZNQCLSA-N 0 3 291.464 2.096 10 0 CEAEHN CC[C@H](C(N)=S)N1CCN(CCC(C)(C)C)CC1 ZINC000109469264 186253962 /nfs/dbraw/zinc/25/39/62/186253962.db2.gz BVOCJSZCTYAWPF-GFCCVEGCSA-N 0 3 271.474 2.105 10 0 CEAEHN CCN(CC)[C@H]1CCN(c2nc(C)c(C=O)s2)C1 ZINC000110272209 186289477 /nfs/dbraw/zinc/28/94/77/186289477.db2.gz SZWWCQYSGICDRT-NSHDSACASA-N 0 3 267.398 2.185 10 0 CEAEHN CC(C)Oc1cc(N[C@@H]2CCN(C)C2)c(N)cc1F ZINC000110638935 186307311 /nfs/dbraw/zinc/30/73/11/186307311.db2.gz FEHAYKOBJOJCFK-SNVBAGLBSA-N 0 3 267.348 2.311 10 0 CEAEHN CNCc1nc(CN2CCC[C@@H](C)CC2)cs1 ZINC000110812502 186326412 /nfs/dbraw/zinc/32/64/12/186326412.db2.gz NPYWQHBOZYNZKK-LLVKDONJSA-N 0 3 253.415 2.485 10 0 CEAEHN C[C@@H]1CCCN(Cc2cccnc2C(N)=S)CC1 ZINC000110804550 186326695 /nfs/dbraw/zinc/32/66/95/186326695.db2.gz RJIPIOXJWZTRRZ-LLVKDONJSA-N 0 3 263.410 2.338 10 0 CEAEHN CN(CC(=O)Nc1ccc(F)c(N)c1)CC1CCCC1 ZINC000110832358 186328422 /nfs/dbraw/zinc/32/84/22/186328422.db2.gz KWARQBPQPJEPRB-UHFFFAOYSA-N 0 3 279.359 2.468 10 0 CEAEHN CCN1CCN(Cc2ccc(Cl)cc2N)C[C@@H]1C ZINC000110702478 186314309 /nfs/dbraw/zinc/31/43/09/186314309.db2.gz CVQIWPRGNFXPCV-NSHDSACASA-N 0 3 267.804 2.448 10 0 CEAEHN CC[C@H]1CN([C@@H](CC(N)=S)c2ccccc2)CCN1C ZINC000110719994 186316473 /nfs/dbraw/zinc/31/64/73/186316473.db2.gz UFFVTNJQYBSOEI-GJZGRUSLSA-N 0 3 291.464 2.430 10 0 CEAEHN CCN1CCN(c2nc(C)c([C@@H](C)N)s2)C[C@@H]1C ZINC000110758560 186320191 /nfs/dbraw/zinc/32/01/91/186320191.db2.gz CTZPKOGIGJPNEM-VHSXEESVSA-N 0 3 268.430 2.002 10 0 CEAEHN CCCN(CCN(C)C)c1ccc(N)c(OCC)c1 ZINC000111054926 186349326 /nfs/dbraw/zinc/34/93/26/186349326.db2.gz GOWCTDUFCPKCMT-UHFFFAOYSA-N 0 3 265.401 2.446 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=O)c1c(N)cccc1Cl ZINC000111012668 186343014 /nfs/dbraw/zinc/34/30/14/186343014.db2.gz XJXIOLSTKASPGX-SNVBAGLBSA-N 0 3 281.787 2.088 10 0 CEAEHN CN(C[C@H]1CCCO1)[C@@H](CN)c1cccc(F)c1F ZINC000111039518 186346774 /nfs/dbraw/zinc/34/67/74/186346774.db2.gz LMJUGDPTOXLYPQ-MFKMUULPSA-N 0 3 270.323 2.075 10 0 CEAEHN COC1CCN([C@@H](CN)c2cccc(F)c2F)CC1 ZINC000111039230 186347111 /nfs/dbraw/zinc/34/71/11/186347111.db2.gz VYYLDRGKKIXHQL-ZDUSSCGKSA-N 0 3 270.323 2.075 10 0 CEAEHN CCCOCCOC[C@H](N)c1ccc(OC)c(OC)c1 ZINC000111107315 186352358 /nfs/dbraw/zinc/35/23/58/186352358.db2.gz IQXQTWUCTDLCAI-ZDUSSCGKSA-N 0 3 283.368 2.147 10 0 CEAEHN CN(C)CCN(C)c1ccc(N)cc1C(F)(F)F ZINC000111131816 186356018 /nfs/dbraw/zinc/35/60/18/186356018.db2.gz RBASLSOHSRXOBL-UHFFFAOYSA-N 0 3 261.291 2.285 10 0 CEAEHN CCc1ccc(C(=O)[C@@H](C)N(C)CCN(C)C)cc1 ZINC000111139674 186357407 /nfs/dbraw/zinc/35/74/07/186357407.db2.gz QFRLLKGZIMOBEZ-CYBMUJFWSA-N 0 3 262.397 2.314 10 0 CEAEHN Nc1cncc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000111177508 186365276 /nfs/dbraw/zinc/36/52/76/186365276.db2.gz MQYLOKWGPKDDBY-UHFFFAOYSA-N 0 3 283.379 2.135 10 0 CEAEHN NCc1ccc(NC(=O)[C@H]2CCOc3ccccc32)nc1 ZINC000111184231 186366592 /nfs/dbraw/zinc/36/65/92/186366592.db2.gz PJZYRPXLUYOMDQ-ZDUSSCGKSA-N 0 3 283.331 2.045 10 0 CEAEHN CN[C@H](c1nc2c(s1)CCC2)[C@H]1CCCOC1 ZINC000111322191 186397237 /nfs/dbraw/zinc/39/72/37/186397237.db2.gz QQDFSGAMSFGOEU-CABZTGNLSA-N 0 3 252.383 2.319 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN)cn2)cc1 ZINC000111281875 186387869 /nfs/dbraw/zinc/38/78/69/186387869.db2.gz ZIQOKIXLBNEEIF-GFCCVEGCSA-N 0 3 269.348 2.340 10 0 CEAEHN NCc1ccc(C(=O)Nc2cc(F)cc(F)c2F)nc1 ZINC000111282377 186389422 /nfs/dbraw/zinc/38/94/22/186389422.db2.gz GYINPCVETHRDFL-UHFFFAOYSA-N 0 3 281.237 2.210 10 0 CEAEHN CCN1CCC[C@@H]1CNc1ncnc(Cl)c1C ZINC000111295942 186392781 /nfs/dbraw/zinc/39/27/81/186392781.db2.gz NZWRVXONNINSQD-SNVBAGLBSA-N 0 3 254.765 2.335 10 0 CEAEHN NC[C@H](NC(=O)c1cccc(F)c1)c1ccccc1 ZINC000111365318 186405845 /nfs/dbraw/zinc/40/58/45/186405845.db2.gz DVDXIXJLTOAAJJ-AWEZNQCLSA-N 0 3 258.296 2.256 10 0 CEAEHN Cc1ncc(CN2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000628181550 350993599 /nfs/dbraw/zinc/99/35/99/350993599.db2.gz HKVSETTUMHNNTM-GXTWGEPZSA-N 0 3 250.342 2.110 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cccs1 ZINC000070256800 363064354 /nfs/dbraw/zinc/06/43/54/363064354.db2.gz OWABGKHJODPPCY-LLVKDONJSA-N 0 3 254.399 2.454 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(CC2=CCCOC2)C1 ZINC000122936728 187061169 /nfs/dbraw/zinc/06/11/69/187061169.db2.gz KLDIVQQIKSTETH-HNNXBMFYSA-N 0 3 275.396 2.429 10 0 CEAEHN CC[C@@](C)(O)CN(C)Cc1ccc(C(=O)OC)cc1 ZINC000123369300 187087833 /nfs/dbraw/zinc/08/78/33/187087833.db2.gz QPKFTKMELJJGPM-OAHLLOKOSA-N 0 3 265.353 2.066 10 0 CEAEHN NC1(c2ncc(Br)cn2)CCCCC1 ZINC000070953282 363103742 /nfs/dbraw/zinc/10/37/42/363103742.db2.gz NOOQSSPUAZBPPL-UHFFFAOYSA-N 0 3 256.147 2.357 10 0 CEAEHN COc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155622798 188217213 /nfs/dbraw/zinc/21/72/13/188217213.db2.gz GWMPNUSQFHPANN-JSGCOSHPSA-N 0 3 276.380 2.154 10 0 CEAEHN NC1(C(=O)Nc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000132058020 366114064 /nfs/dbraw/zinc/11/40/64/366114064.db2.gz QSPDBSLCZMWFGT-UHFFFAOYSA-N 0 3 288.269 2.152 10 0 CEAEHN CCCN(CC(F)F)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000132404748 366141719 /nfs/dbraw/zinc/14/17/19/366141719.db2.gz QAVKUTRUCZKHHV-NWDGAFQWSA-N 0 3 291.386 2.402 10 0 CEAEHN Cc1cc(F)ccc1CCNC(=O)N1CC[C@H](N(C)C)C1 ZINC000132681484 366163695 /nfs/dbraw/zinc/16/36/95/366163695.db2.gz HDIYNLLYNYKMMV-HNNXBMFYSA-N 0 3 293.386 2.022 10 0 CEAEHN Cc1ncc(C2=C[C@@H](N)CN(C(=O)OC(C)(C)C)C2)s1 ZINC000675077646 540119204 /nfs/dbraw/zinc/11/92/04/540119204.db2.gz GVIREBKCPQNDIB-LLVKDONJSA-N 0 3 295.408 2.413 10 0 CEAEHN Cc1ccncc1C1=C[C@@H](N)CN(C(=O)OC(C)(C)C)C1 ZINC000675079446 540119513 /nfs/dbraw/zinc/11/95/13/540119513.db2.gz YXMDDVWLSTXCHF-CYBMUJFWSA-N 0 3 289.379 2.351 10 0 CEAEHN FC(F)(F)c1ccc(-c2cnn3c2CNCC3)nc1 ZINC000675076003 540117523 /nfs/dbraw/zinc/11/75/23/540117523.db2.gz HTELSEZSYLZXSC-UHFFFAOYSA-N 0 3 268.242 2.067 10 0 CEAEHN CC(C)CN[S@](=O)(=NC1CC1)c1ccc(N)cc1 ZINC000675076482 540117868 /nfs/dbraw/zinc/11/78/68/540117868.db2.gz XQBPHICCQUHYMN-SFHVURJKSA-N 0 3 267.398 2.419 10 0 CEAEHN CN1CCC(c2nccc(Nc3ccccc3)n2)CC1 ZINC000575601065 366298083 /nfs/dbraw/zinc/29/80/83/366298083.db2.gz ICTVZCYMOXSWIR-UHFFFAOYSA-N 0 3 268.364 2.451 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)C(C)C ZINC000079122293 363580140 /nfs/dbraw/zinc/58/01/40/363580140.db2.gz DIQSQADQQLYHRL-CHWSQXEVSA-N 0 3 257.422 2.306 10 0 CEAEHN CC(C)CCN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247049802 538859891 /nfs/dbraw/zinc/85/98/91/538859891.db2.gz IHFQGOMEMIXGJH-ZIAGYGMSSA-N 0 3 269.433 2.403 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2cncc(Br)c2)C1 ZINC000166496497 540304583 /nfs/dbraw/zinc/30/45/83/540304583.db2.gz DXBWHXNHZUVALD-VXGBXAGGSA-N 0 3 285.185 2.237 10 0 CEAEHN CC[C@@H](COC)N[C@H](CN(C)C)c1ccccc1 ZINC000079707090 363622964 /nfs/dbraw/zinc/62/29/64/363622964.db2.gz RASSDOPVLBFRLH-LSDHHAIUSA-N 0 3 250.386 2.304 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(C)C ZINC000037610054 540611114 /nfs/dbraw/zinc/61/11/14/540611114.db2.gz XCJFLEKYMBZJDB-GFCCVEGCSA-N 0 3 264.369 2.179 10 0 CEAEHN COc1ccc(F)c(NC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000151904631 366674349 /nfs/dbraw/zinc/67/43/49/366674349.db2.gz IAQASPIIYIYUJT-SNVBAGLBSA-N 0 3 281.331 2.002 10 0 CEAEHN Cc1ncccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000176775930 189008523 /nfs/dbraw/zinc/00/85/23/189008523.db2.gz WHTDJZPIELIZOY-CYBMUJFWSA-N 0 3 263.385 2.096 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(C(C)=O)cc1 ZINC000177027061 189022104 /nfs/dbraw/zinc/02/21/04/189022104.db2.gz JTMBTAXUXOFXHB-INIZCTEOSA-N 0 3 288.391 2.446 10 0 CEAEHN COc1cccc([C@H](C)CC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000177646609 189061291 /nfs/dbraw/zinc/06/12/91/189061291.db2.gz XHTDNFBBCJKARA-HIFRSBDPSA-N 0 3 290.407 2.351 10 0 CEAEHN Cc1nn(C)c(C)c1CN1CCC[C@H]1Cn1ccnc1C ZINC000178324341 189107375 /nfs/dbraw/zinc/10/73/75/189107375.db2.gz AKIKYKJXJKIEPQ-HNNXBMFYSA-N 0 3 287.411 2.206 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N(C)C ZINC000179334073 189186425 /nfs/dbraw/zinc/18/64/25/189186425.db2.gz JOQUTFPJNAHLIN-ZIAGYGMSSA-N 0 3 276.380 2.357 10 0 CEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000180497678 189258976 /nfs/dbraw/zinc/25/89/76/189258976.db2.gz PANBDUUZNVGTJK-GXSJLCMTSA-N 0 3 288.313 2.085 10 0 CEAEHN CCC[C@@H](N)C(=O)NCCc1ccccc1Cl ZINC000152465801 366699194 /nfs/dbraw/zinc/69/91/94/366699194.db2.gz ZRGHINZJFXZVMD-GFCCVEGCSA-N 0 3 254.761 2.126 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000082284878 363759106 /nfs/dbraw/zinc/75/91/06/363759106.db2.gz OZGAKXUOLKDIST-LBPRGKRZSA-N 0 3 252.745 2.116 10 0 CEAEHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCCCc2ccccc21 ZINC000081902012 363747140 /nfs/dbraw/zinc/74/71/40/363747140.db2.gz ZETVJIVSQJCZLD-WFASDCNBSA-N 0 3 281.421 2.477 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NCc1cn[nH]c1 ZINC000678941996 541194519 /nfs/dbraw/zinc/19/45/19/541194519.db2.gz ZUCDEUJAAAUDBH-ZDUSSCGKSA-N 0 3 258.369 2.020 10 0 CEAEHN CC[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)cc1 ZINC000084222109 363803158 /nfs/dbraw/zinc/80/31/58/363803158.db2.gz XTRWKWNANKEGMI-HUUCEWRRSA-N 0 3 266.360 2.197 10 0 CEAEHN OC1CC(CNCc2csc(Br)c2)C1 ZINC000084447946 363811401 /nfs/dbraw/zinc/81/14/01/363811401.db2.gz RWRSWGIXIXCJKB-UHFFFAOYSA-N 0 3 276.199 2.371 10 0 CEAEHN CCc1cc2c(ncnc2N2C[C@@H](C)NC[C@@H]2C)s1 ZINC000086471131 363837688 /nfs/dbraw/zinc/83/76/88/363837688.db2.gz ZUONOFHNQUMULO-ZJUUUORDSA-N 0 3 276.409 2.440 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000089169438 363945587 /nfs/dbraw/zinc/94/55/87/363945587.db2.gz DRFJCUFYWMXZEK-CZUORRHYSA-N 0 3 271.364 2.123 10 0 CEAEHN Cc1n[nH]cc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000092812956 364110627 /nfs/dbraw/zinc/11/06/27/364110627.db2.gz RJSWRPPAFSFNPF-ZDUSSCGKSA-N 0 3 271.368 2.047 10 0 CEAEHN Cc1ccc(C)c(C(=O)CCC(=O)N2CCC[C@H]2CN)c1 ZINC000237639374 370741129 /nfs/dbraw/zinc/74/11/29/370741129.db2.gz WWUGKUONOMJNCW-AWEZNQCLSA-N 0 3 288.391 2.216 10 0 CEAEHN C[C@@]1(C(=O)NC[C@H]2CCCC23CC3)CCCCN1 ZINC000638794403 370756445 /nfs/dbraw/zinc/75/64/45/370756445.db2.gz CGODOAKHULHJJC-OCCSQVGLSA-N 0 3 250.386 2.215 10 0 CEAEHN Cc1ccc([C@H](O)CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000093952630 364243679 /nfs/dbraw/zinc/24/36/79/364243679.db2.gz JUUMIMSZGZPTCW-IAGOWNOFSA-N 0 3 274.408 2.199 10 0 CEAEHN CCOc1cc(N2CCN(C(C)C)CC2)ccc1N ZINC000095943581 364394726 /nfs/dbraw/zinc/39/47/26/364394726.db2.gz WUINXRLUBJGSIZ-UHFFFAOYSA-N 0 3 263.385 2.198 10 0 CEAEHN CN(C[C@@H](c1cccs1)N1CCOCC1)CC1CC1 ZINC000156208265 366828434 /nfs/dbraw/zinc/82/84/34/366828434.db2.gz FKHMSWATTQJRFD-AWEZNQCLSA-N 0 3 280.437 2.463 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(CCc2ccccn2)C1 ZINC000102949884 364620213 /nfs/dbraw/zinc/62/02/13/364620213.db2.gz NHUXIBSFUSEASP-CQSZACIVSA-N 0 3 285.395 2.115 10 0 CEAEHN Fc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000105802036 364702890 /nfs/dbraw/zinc/70/28/90/364702890.db2.gz NXSMDZPQCLKAPQ-HNNXBMFYSA-N 0 3 286.354 2.374 10 0 CEAEHN CC[C@@H](OC1CCCC1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000112905174 364854773 /nfs/dbraw/zinc/85/47/73/364854773.db2.gz VGKNAFWQTHHJLC-DZGCQCFKSA-N 0 3 282.428 2.325 10 0 CEAEHN N[C@H](C(=O)N[C@H]1CCCc2ccccc21)C1CCC1 ZINC000335595787 364810961 /nfs/dbraw/zinc/81/09/61/364810961.db2.gz PEZUSINJHWHBLJ-GJZGRUSLSA-N 0 3 258.365 2.308 10 0 CEAEHN CCCCCCOCC(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113227558 364876306 /nfs/dbraw/zinc/87/63/06/364876306.db2.gz RLHNVSKFHKWFAC-LSDHHAIUSA-N 0 3 282.428 2.278 10 0 CEAEHN CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000113223539 364876689 /nfs/dbraw/zinc/87/66/89/364876689.db2.gz DUDKUADOVMDLKW-ZFWWWQNUSA-N 0 3 288.391 2.394 10 0 CEAEHN COc1ccsc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113228525 364879324 /nfs/dbraw/zinc/87/93/24/364879324.db2.gz QMCZRPJYNUEBPQ-WDEREUQCSA-N 0 3 280.393 2.065 10 0 CEAEHN CCN1CCO[C@H](CNCc2cccc(Cl)c2)C1 ZINC000113266785 364879909 /nfs/dbraw/zinc/87/99/09/364879909.db2.gz LQZYXTBBYASNCA-CQSZACIVSA-N 0 3 268.788 2.150 10 0 CEAEHN OC1(CN2CCC(c3nccs3)CC2)CCC1 ZINC000335719551 364880108 /nfs/dbraw/zinc/88/01/08/364880108.db2.gz WXJOTSWJOGAJFG-UHFFFAOYSA-N 0 3 252.383 2.238 10 0 CEAEHN Cc1cc(C)c2c(N)c(C3=NCCCN3)sc2n1 ZINC000211801660 189688514 /nfs/dbraw/zinc/68/85/14/189688514.db2.gz PJALPQIBAMHCBU-UHFFFAOYSA-N 0 3 260.366 2.235 10 0 CEAEHN Cn1cc([C@H]2CCN(CCC(=O)Nc3ccccc3)C2)cn1 ZINC000116321462 365051614 /nfs/dbraw/zinc/05/16/14/365051614.db2.gz BATHPNDCBNISKX-AWEZNQCLSA-N 0 3 298.390 2.238 10 0 CEAEHN COc1csc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000159047197 366871892 /nfs/dbraw/zinc/87/18/92/366871892.db2.gz YLABZVDWZLBNEV-JQWIXIFHSA-N 0 3 282.409 2.215 10 0 CEAEHN CCn1cc(C2CCN(CC[C@H]3CCOC3=O)CC2)cn1 ZINC000120352002 365411275 /nfs/dbraw/zinc/41/12/75/365411275.db2.gz JOYCMCSPKFDKDX-AWEZNQCLSA-N 0 3 291.395 2.036 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000120518543 365435515 /nfs/dbraw/zinc/43/55/15/365435515.db2.gz RNAFKOCZRJHQMH-RBSFLKMASA-N 0 3 264.413 2.413 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1coc2ccccc12 ZINC000336173442 365511730 /nfs/dbraw/zinc/51/17/30/365511730.db2.gz LKHGQTBFEVLRQT-GWCFXTLKSA-N 0 3 258.321 2.190 10 0 CEAEHN CCOCCN1CCN(Cc2cccnc2C)C[C@H]1CC ZINC000121013912 365512732 /nfs/dbraw/zinc/51/27/32/365512732.db2.gz KDCNRKCFURLMAM-QGZVFWFLSA-N 0 3 291.439 2.323 10 0 CEAEHN COc1ccc(C(C)(C)C(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000162596050 367172749 /nfs/dbraw/zinc/17/27/49/367172749.db2.gz OCWLKSRCQDCFHA-CQSZACIVSA-N 0 3 290.407 2.135 10 0 CEAEHN CN(C)C[C@H]1CN([C@H]2CCCc3ccc(F)cc32)CCO1 ZINC000245505051 370829340 /nfs/dbraw/zinc/82/93/40/370829340.db2.gz FOFWBDAMACBYAP-RDJZCZTQSA-N 0 3 292.398 2.466 10 0 CEAEHN Cc1ccccc1[C@H](C)NCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000245525553 370832005 /nfs/dbraw/zinc/83/20/05/370832005.db2.gz OKGZPQVGTXAWKQ-KKUMJFAQSA-N 0 3 290.407 2.281 10 0 CEAEHN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245683046 370857185 /nfs/dbraw/zinc/85/71/85/370857185.db2.gz VSXJJUWDXYDMNV-RZFFKMDDSA-N 0 3 273.380 2.139 10 0 CEAEHN COc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1F ZINC000245579445 370844838 /nfs/dbraw/zinc/84/48/38/370844838.db2.gz HTVGQOXPYLCPRF-NEPJUHHUSA-N 0 3 292.354 2.143 10 0 CEAEHN COc1c(CNCC2C[C@@H](C)O[C@H](C)C2)c(C)nn1C ZINC000341478034 367351081 /nfs/dbraw/zinc/35/10/81/367351081.db2.gz ZOUYYHZLRKKKFA-GHMZBOCLSA-N 0 3 281.400 2.030 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000170827618 367426621 /nfs/dbraw/zinc/42/66/21/367426621.db2.gz CZNPWLJHZJFJPQ-JKSUJKDBSA-N 0 3 287.407 2.483 10 0 CEAEHN CC/C=C\CCN1CCN(CCOC)[C@H](CC)C1 ZINC000342244306 367396375 /nfs/dbraw/zinc/39/63/75/367396375.db2.gz IOEVOKZQGFTGKO-IDTUSYRASA-N 0 3 254.418 2.385 10 0 CEAEHN C[C@H](Cc1cccs1)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170830084 367427707 /nfs/dbraw/zinc/42/77/07/367427707.db2.gz DXQZLKGBZFXJBO-VXGBXAGGSA-N 0 3 281.425 2.025 10 0 CEAEHN CC[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000170856158 367432329 /nfs/dbraw/zinc/43/23/29/367432329.db2.gz MMDSLOJQNARJEV-GJZGRUSLSA-N 0 3 260.381 2.343 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)cc1F ZINC000170861240 367434036 /nfs/dbraw/zinc/43/40/36/367434036.db2.gz BDJRIFAOFFEYMM-ZYHUDNBSSA-N 0 3 297.349 2.371 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCc2ccccc2Cl)C1 ZINC000170861730 367434698 /nfs/dbraw/zinc/43/46/98/367434698.db2.gz GUEZAYOJBAGAKX-LBPRGKRZSA-N 0 3 281.787 2.186 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170864419 367436045 /nfs/dbraw/zinc/43/60/45/367436045.db2.gz TZIPQMDLRHBXGG-NSHDSACASA-N 0 3 282.771 2.125 10 0 CEAEHN CCS[C@H](C(=O)N1CCN2CCC[C@@H]2C1)C(C)C ZINC000171192329 367495374 /nfs/dbraw/zinc/49/53/74/367495374.db2.gz OREYXSXAWDNIAB-OLZOCXBDSA-N 0 3 270.442 2.071 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1F ZINC000170999060 367460057 /nfs/dbraw/zinc/46/00/57/367460057.db2.gz HUGRXOWECVQXLI-CHWSQXEVSA-N 0 3 276.355 2.236 10 0 CEAEHN Cc1ccccc1CCC(=O)N1CC[C@H](N(C)C)C1 ZINC000171541573 367561911 /nfs/dbraw/zinc/56/19/11/367561911.db2.gz FTSQOOXGQNDEQT-HNNXBMFYSA-N 0 3 260.381 2.090 10 0 CEAEHN c1ccc(-c2nc(CN3CCN4CCC[C@@H]4C3)no2)cc1 ZINC000171641353 367583602 /nfs/dbraw/zinc/58/36/02/367583602.db2.gz UVVNNOAQKXADFV-CQSZACIVSA-N 0 3 284.363 2.017 10 0 CEAEHN O=C(NCCN1CCCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171770347 367613738 /nfs/dbraw/zinc/61/37/38/367613738.db2.gz BNLCMCQBFNWRSS-CHWSQXEVSA-N 0 3 294.345 2.280 10 0 CEAEHN O=C(Nc1cccc2[nH]ccc21)N1CCN2CCC[C@H]2C1 ZINC000171892476 367634376 /nfs/dbraw/zinc/63/43/76/367634376.db2.gz OECZHXAPIKGUNK-LBPRGKRZSA-N 0 3 284.363 2.480 10 0 CEAEHN Cc1ccc(CCNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000172188431 367694375 /nfs/dbraw/zinc/69/43/75/367694375.db2.gz HHJHWPLKOGZTEN-MRXNPFEDSA-N 0 3 287.407 2.027 10 0 CEAEHN CCCn1cc(CN2CC[C@]3(O)CCCC[C@H]3C2)cn1 ZINC000245814197 370877568 /nfs/dbraw/zinc/87/75/68/370877568.db2.gz ZXWAHYKKLNFTMY-JKSUJKDBSA-N 0 3 277.412 2.420 10 0 CEAEHN Cc1cccc(CCCN2CCO[C@@H](CN(C)C)C2)c1 ZINC000181102092 368421474 /nfs/dbraw/zinc/42/14/74/368421474.db2.gz PHZGBQKNSSDNLM-KRWDZBQOSA-N 0 3 276.424 2.190 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccncc1F ZINC000184163500 368675982 /nfs/dbraw/zinc/67/59/82/368675982.db2.gz YVWTXENADTUWPK-LLVKDONJSA-N 0 3 280.347 2.169 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cc(C)cc(C)n2)C1 ZINC000184227301 368681612 /nfs/dbraw/zinc/68/16/12/368681612.db2.gz PHJRDEZEZQWXBM-CYBMUJFWSA-N 0 3 276.384 2.304 10 0 CEAEHN CC[C@H]1CN([C@H](C)c2ccccn2)CCN1CCOC ZINC000246352378 370949224 /nfs/dbraw/zinc/94/92/24/370949224.db2.gz MGPYADZNBXWQPH-CABCVRRESA-N 0 3 277.412 2.185 10 0 CEAEHN Cc1noc(C2CC2)c1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000185819207 368867559 /nfs/dbraw/zinc/86/75/59/368867559.db2.gz MAZXOGGLOJMUJZ-GFCCVEGCSA-N 0 3 290.367 2.172 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2ccccn2)C12CCOCC2 ZINC000186197895 368935862 /nfs/dbraw/zinc/93/58/62/368935862.db2.gz GYIOCZKNTPUKQJ-LSDHHAIUSA-N 0 3 276.380 2.145 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2cccc(O)c2)C12CCOCC2 ZINC000186306474 368954427 /nfs/dbraw/zinc/95/44/27/368954427.db2.gz ZDWLRFZQCGMPSN-CVEARBPZSA-N 0 3 291.391 2.456 10 0 CEAEHN CC[C@H]1[C@H](C)CCN1Cc1c(C)nn(C)c1OC ZINC000187579344 369183386 /nfs/dbraw/zinc/18/33/86/369183386.db2.gz JPMVHLCIWGGIPZ-MFKMUULPSA-N 0 3 251.374 2.358 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC000189241070 369481395 /nfs/dbraw/zinc/48/13/95/369481395.db2.gz HYJTYMUOVRFXJW-VIFPVBQESA-N 0 3 258.774 2.178 10 0 CEAEHN Clc1ncc(CN2CCN3CCCC[C@H]3C2)s1 ZINC000246477156 370966586 /nfs/dbraw/zinc/96/65/86/370966586.db2.gz HHDWJWXZSJVROF-JTQLQIEISA-N 0 3 271.817 2.467 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc3[nH]cnc3c2)C1 ZINC000246595906 370982670 /nfs/dbraw/zinc/98/26/70/370982670.db2.gz ZGKDKCDLEAPZRL-XHDPSFHLSA-N 0 3 286.379 2.021 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCC(=O)OC(C)(C)C ZINC000191916558 369754128 /nfs/dbraw/zinc/75/41/28/369754128.db2.gz NXFGTKHZGPKCIQ-ZDUSSCGKSA-N 0 3 298.427 2.051 10 0 CEAEHN CCCCOC[C@H](O)CN(CC)Cc1ccccn1 ZINC000193251671 369911693 /nfs/dbraw/zinc/91/16/93/369911693.db2.gz YMFJOOZAMXLOGY-OAHLLOKOSA-N 0 3 266.385 2.081 10 0 CEAEHN CCN[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000637886369 370147503 /nfs/dbraw/zinc/14/75/03/370147503.db2.gz JUTUKAIWACZJQD-IUCAKERBSA-N 0 3 256.296 2.140 10 0 CEAEHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1cncc(F)c1 ZINC000223863395 370272058 /nfs/dbraw/zinc/27/20/58/370272058.db2.gz QWJPZJNYMYIZFR-WDMOLILDSA-N 0 3 252.333 2.422 10 0 CEAEHN CCn1cc(CNCC[C@@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000226030386 370328060 /nfs/dbraw/zinc/32/80/60/370328060.db2.gz UCDXNPREPFBVMQ-GFCCVEGCSA-N 0 3 296.415 2.296 10 0 CEAEHN COCCOC[C@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000234911245 370549642 /nfs/dbraw/zinc/54/96/42/370549642.db2.gz JFKQYEAEMSBVQT-NXEZZACHSA-N 0 3 293.816 2.076 10 0 CEAEHN Oc1cccc2c1CC[C@@H]2NCCOCC(F)F ZINC000236620167 370597595 /nfs/dbraw/zinc/59/75/95/370597595.db2.gz ZPWYBBQTOUTJQA-NSHDSACASA-N 0 3 257.280 2.251 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2ccccc2[nH]1 ZINC000246801506 371011725 /nfs/dbraw/zinc/01/17/25/371011725.db2.gz BUVVPNOBJFYXIM-OCCSQVGLSA-N 0 3 283.375 2.477 10 0 CEAEHN CC(C)COC[C@H](O)CN1CCC[C@H]1c1ccco1 ZINC000246862065 371021791 /nfs/dbraw/zinc/02/17/91/371021791.db2.gz DYZYWSQHQWBKDG-KGLIPLIRSA-N 0 3 267.369 2.450 10 0 CEAEHN COc1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)ccc1C ZINC000247084622 371061093 /nfs/dbraw/zinc/06/10/93/371061093.db2.gz HXLVGQIOORKBOM-HIFRSBDPSA-N 0 3 288.391 2.312 10 0 CEAEHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2C[C@H]2C)cc1 ZINC000248483002 371201360 /nfs/dbraw/zinc/20/13/60/371201360.db2.gz CMFSSWNXUDLUCQ-MBNYWOFBSA-N 0 3 267.394 2.155 10 0 CEAEHN CCc1nnc(CN[C@@H]2CC[C@H](C)C[C@H]2C)n1C ZINC000248575680 371215873 /nfs/dbraw/zinc/21/58/73/371215873.db2.gz SWZUFOQACXRHFR-QJPTWQEYSA-N 0 3 250.390 2.292 10 0 CEAEHN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCN2CCC[C@H]2C1 ZINC000248646710 371230219 /nfs/dbraw/zinc/23/02/19/371230219.db2.gz PKDJOCRTMGLVLL-OWCLPIDISA-N 0 3 294.439 2.278 10 0 CEAEHN C[C@@H]1CC[C@H](CN2C[C@H](CO)[C@@H](c3ccsc3)C2)O1 ZINC000249139037 371300795 /nfs/dbraw/zinc/30/07/95/371300795.db2.gz VWXJCHWFUFFGRD-NMFUWQPSSA-N 0 3 281.421 2.323 10 0 CEAEHN O=C(CCN1CCO[C@H]2CCCC[C@H]21)NC1CCCC1 ZINC000249811568 371364929 /nfs/dbraw/zinc/36/49/29/371364929.db2.gz ZLNPTKYTBUOMDH-CABCVRRESA-N 0 3 280.412 2.079 10 0 CEAEHN CC(=O)c1cc(F)ccc1N1C[C@H](C)[C@H](N(C)C)C1 ZINC000251826925 371418505 /nfs/dbraw/zinc/41/85/05/371418505.db2.gz PHASWHLORNLBEV-ZUZCIYMTSA-N 0 3 264.344 2.415 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCc1ccncc1 ZINC000252661784 371463613 /nfs/dbraw/zinc/46/36/13/371463613.db2.gz PLDZFUSPCMKLGZ-HOCLYGCPSA-N 0 3 259.397 2.183 10 0 CEAEHN C[C@@H]1C[C@H](O)CCN1CCOc1ccc(F)cc1 ZINC000639940599 371689232 /nfs/dbraw/zinc/68/92/32/371689232.db2.gz IXJWXFBEZJEMPH-DGCLKSJQSA-N 0 3 253.317 2.050 10 0 CEAEHN Fc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2COCCN2)c(F)c1 ZINC000261882710 371761219 /nfs/dbraw/zinc/76/12/19/371761219.db2.gz FNRFMISZRVNKRK-BMFZPTHFSA-N 0 3 296.361 2.212 10 0 CEAEHN COC(=O)[C@@H]1CCCCCC[C@@H]1NCc1cnc(N)s1 ZINC000262060550 371815498 /nfs/dbraw/zinc/81/54/98/371815498.db2.gz RCKWYTNMTWCLMP-NEPJUHHUSA-N 0 3 297.424 2.327 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)CCc1ccc(C)o1 ZINC000262701056 371899314 /nfs/dbraw/zinc/89/93/14/371899314.db2.gz ICPZUOCBFXMOQX-COPLHBTASA-N 0 3 266.385 2.399 10 0 CEAEHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000262741821 371904923 /nfs/dbraw/zinc/90/49/23/371904923.db2.gz DUOLWTJVCVBKJU-XKAARJIMSA-N 0 3 294.345 2.277 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1O ZINC000270493596 372812518 /nfs/dbraw/zinc/81/25/18/372812518.db2.gz AXFPBXDRSWBHPC-MLGOLLRUSA-N 0 3 256.349 2.438 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCN1 ZINC000643616010 373222472 /nfs/dbraw/zinc/22/24/72/373222472.db2.gz FNICLMFSPFZZAD-CQSZACIVSA-N 0 3 298.770 2.056 10 0 CEAEHN CC[C@@H](NC(=O)[C@@H]1CNCCOC1)c1cccc(Cl)c1 ZINC000643633810 373227217 /nfs/dbraw/zinc/22/72/17/373227217.db2.gz SADWQBXEMRCEOU-TZMCWYRMSA-N 0 3 296.798 2.143 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@@H]2NCC2(C)C)cc1F ZINC000644015663 373338948 /nfs/dbraw/zinc/33/89/48/373338948.db2.gz RQSATPGSQOSUFZ-GWCFXTLKSA-N 0 3 264.344 2.309 10 0 CEAEHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1cc(F)ccc1F ZINC000644017620 373342682 /nfs/dbraw/zinc/34/26/82/373342682.db2.gz ASLZTIIINRIPFB-QPUJVOFHSA-N 0 3 268.307 2.140 10 0 CEAEHN Clc1ccc(-c2noc([C@@H]3CNCCOC3)n2)cc1 ZINC000644511172 373503344 /nfs/dbraw/zinc/50/33/44/373503344.db2.gz CXJBBFFPOANCQE-SNVBAGLBSA-N 0 3 279.727 2.093 10 0 CEAEHN CC(=O)c1nc(N2C[C@@H](C)[C@@H](N(C)C)C2)sc1C ZINC000384128547 375207802 /nfs/dbraw/zinc/20/78/02/375207802.db2.gz KUBRZLHNZMDMSG-KCJUWKMLSA-N 0 3 267.398 2.040 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000282130601 375409878 /nfs/dbraw/zinc/40/98/78/375409878.db2.gz GGGJGAOOVLMOCX-VXGBXAGGSA-N 0 3 264.369 2.389 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cc2ccccc2o1 ZINC000282281970 375446794 /nfs/dbraw/zinc/44/67/94/375446794.db2.gz IHEMWJGSNIBMFM-ZWNOBZJWSA-N 0 3 258.321 2.190 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)s1 ZINC000282469894 375492109 /nfs/dbraw/zinc/49/21/09/375492109.db2.gz UQHUKVPWNBHUDE-APPZFPTMSA-N 0 3 258.774 2.158 10 0 CEAEHN Cc1cc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C)c(C)o1 ZINC000282485842 375496005 /nfs/dbraw/zinc/49/60/05/375496005.db2.gz XEPZQZRVTOTSFB-OUJBWJOFSA-N 0 3 250.342 2.214 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cc(Cl)cs1 ZINC000282528972 375508453 /nfs/dbraw/zinc/50/84/53/375508453.db2.gz YXCHWMGAOGIUNY-GMSGAONNSA-N 0 3 258.774 2.158 10 0 CEAEHN COC1(CCN2CCN3CCCC[C@@H]3C2)CCC1 ZINC000310870137 376639042 /nfs/dbraw/zinc/63/90/42/376639042.db2.gz POFQGOPDQOMOKH-CQSZACIVSA-N 0 3 252.402 2.116 10 0 CEAEHN CCN1CC[C@H](N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448727 376850600 /nfs/dbraw/zinc/85/06/00/376850600.db2.gz COVSKAMFCOESCS-STQMWFEESA-N 0 3 278.396 2.449 10 0 CEAEHN CSCc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1F ZINC000174182075 249325882 /nfs/dbraw/zinc/32/58/82/249325882.db2.gz WGWPZCAKWXXVFX-ZDUSSCGKSA-N 0 3 296.411 2.465 10 0 CEAEHN O=C(c1ccc2c(c1)CNC2)N1Cc2ccccc2C1 ZINC000156751385 284677286 /nfs/dbraw/zinc/67/72/86/284677286.db2.gz LWYXUJGLNKGWSA-UHFFFAOYSA-N 0 3 264.328 2.446 10 0 CEAEHN CCOc1ccccc1OCCN1CCC[C@H](O)[C@H]1C ZINC000295859669 378333166 /nfs/dbraw/zinc/33/31/66/378333166.db2.gz DTWQLLHATNLXSJ-KGLIPLIRSA-N 0 3 279.380 2.309 10 0 CEAEHN COc1ccccc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C ZINC000282290737 295399566 /nfs/dbraw/zinc/39/95/66/295399566.db2.gz LRJWBJJUAQPUOA-GMXVVIOVSA-N 0 3 262.353 2.013 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H](C)[C@H](CO)SC)c1C ZINC000300410275 379166672 /nfs/dbraw/zinc/16/66/72/379166672.db2.gz GJUZQBFQGQXXQH-KWBADKCTSA-N 0 3 285.457 2.283 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(=O)[nH]1 ZINC000278851376 194182979 /nfs/dbraw/zinc/18/29/79/194182979.db2.gz UHZMFXAXDJWHRR-ZDUSSCGKSA-N 0 3 299.374 2.038 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2ccc(Br)o2)C1 ZINC000037164958 542278120 /nfs/dbraw/zinc/27/81/20/542278120.db2.gz LNCPRWODRGKUHD-DTWKUNHWSA-N 0 3 274.158 2.435 10 0 CEAEHN C[C@H]1C[C@@H](O)CN(Cc2ccc3ncccc3c2)C1 ZINC000334748759 207012393 /nfs/dbraw/zinc/01/23/93/207012393.db2.gz YSTNITZUYAQRJC-SWLSCSKDSA-N 0 3 256.349 2.438 10 0 CEAEHN COc1cc(OC)c(CN[C@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000037163953 542278826 /nfs/dbraw/zinc/27/88/26/542278826.db2.gz BOAZBJFOMVFBNQ-RYUDHWBXSA-N 0 3 295.379 2.106 10 0 CEAEHN C[C@H](NCC(=O)NCCC1CCCCC1)[C@H]1CCCO1 ZINC000183125690 542287767 /nfs/dbraw/zinc/28/77/67/542287767.db2.gz LGTLFNKFBLLOEF-DZGCQCFKSA-N 0 3 282.428 2.230 10 0 CEAEHN CCCCN(CC)S(=O)(=O)c1cc(CN)ccc1F ZINC000088916313 184614235 /nfs/dbraw/zinc/61/42/35/184614235.db2.gz OMABXGWJJVPBOF-UHFFFAOYSA-N 0 3 288.388 2.095 10 0 CEAEHN CN[C@@H]1COC[C@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000090433012 184616297 /nfs/dbraw/zinc/61/62/97/184616297.db2.gz TWDVWCIYVOYNGM-BXUZGUMPSA-N 0 3 276.380 2.157 10 0 CEAEHN COCCN1CCN([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC000175646437 532971981 /nfs/dbraw/zinc/97/19/81/532971981.db2.gz MIORRGKMWYPOKP-CABCVRRESA-N 0 3 292.423 2.409 10 0 CEAEHN O=S1(=O)CC(CCN2CCCC3(CCCC3)C2)C1 ZINC000335243770 208012576 /nfs/dbraw/zinc/01/25/76/208012576.db2.gz CKOOAIQJQGEJRM-UHFFFAOYSA-N 0 3 271.426 2.077 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CC(C)(C)OC(C)(C)C2)C1 ZINC000188182759 285230043 /nfs/dbraw/zinc/23/00/43/285230043.db2.gz ZVWNNSOMCOFNMI-CYBMUJFWSA-N 0 3 297.443 2.070 10 0 CEAEHN Cn1cncc1CN1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000093470682 184680383 /nfs/dbraw/zinc/68/03/83/184680383.db2.gz SRWSAEIIHPDQHX-UONOGXRCSA-N 0 3 261.369 2.144 10 0 CEAEHN CCN[C@@H](c1ccn(C)n1)[C@@H]1CCc2cccnc21 ZINC000094135875 184755597 /nfs/dbraw/zinc/75/55/97/184755597.db2.gz NSYWSQQMBHSSHW-IUODEOHRSA-N 0 3 256.353 2.196 10 0 CEAEHN CC[C@@](C)(N)C(=O)Nc1ccccc1N1CCCC1 ZINC000094232650 184767045 /nfs/dbraw/zinc/76/70/45/184767045.db2.gz BYKHLBYUFLIYMI-OAHLLOKOSA-N 0 3 261.369 2.353 10 0 CEAEHN CCNCc1cc(F)c(O[C@@H]2CCCCNC2=O)c(F)c1 ZINC000094347016 184786147 /nfs/dbraw/zinc/78/61/47/184786147.db2.gz GYPUITMNBXZDTN-CYBMUJFWSA-N 0 3 298.333 2.122 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NC[C@@]1(C)CCCO1 ZINC000094797470 184867342 /nfs/dbraw/zinc/86/73/42/184867342.db2.gz JEYHCXHMYLFQOF-QMTHXVAHSA-N 0 3 251.374 2.257 10 0 CEAEHN Cc1noc(COc2ccc(F)cc2[C@@H](C)N)n1 ZINC000094620253 184827140 /nfs/dbraw/zinc/82/71/40/184827140.db2.gz OUVAGTVEJLKGQU-SSDOTTSWSA-N 0 3 251.261 2.116 10 0 CEAEHN Cc1cc(F)c([C@@H](N)CC(C)(C)C(N)=O)cc1F ZINC000094708343 184844764 /nfs/dbraw/zinc/84/47/64/184844764.db2.gz PIMPAORDHDKAGJ-NSHDSACASA-N 0 3 256.296 2.175 10 0 CEAEHN Cc1cc(F)ccc1CCN[C@@H](C)C(=O)NC(C)C ZINC000094954803 184903190 /nfs/dbraw/zinc/90/31/90/184903190.db2.gz JDDKANHZRYSQNW-LBPRGKRZSA-N 0 3 266.360 2.179 10 0 CEAEHN COc1c(CNCCc2ccccc2OC)c(C)nn1C ZINC000226326814 130823691 /nfs/dbraw/zinc/82/36/91/130823691.db2.gz KCOWJURDWMGRMZ-UHFFFAOYSA-N 0 3 289.379 2.078 10 0 CEAEHN C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000262098448 131191278 /nfs/dbraw/zinc/19/12/78/131191278.db2.gz CILQTNHEJNKYDM-ONGXEEELSA-N 0 3 274.286 2.014 10 0 CEAEHN C[C@H](N)c1c(F)cccc1N1CCOCC1(C)C ZINC000042462353 134895351 /nfs/dbraw/zinc/89/53/51/134895351.db2.gz PRGRIGFNUBRYBO-JTQLQIEISA-N 0 3 252.333 2.461 10 0 CEAEHN N[C@H]1CCN(C(=O)c2ccncc2F)c2ccccc21 ZINC000086315790 135039888 /nfs/dbraw/zinc/03/98/88/135039888.db2.gz OSIKIUIVGYHTGM-ZDUSSCGKSA-N 0 3 271.295 2.271 10 0 CEAEHN N[C@H]1CCN(C(=O)CC[C@H]2CCCO2)c2ccccc21 ZINC000087203559 135049003 /nfs/dbraw/zinc/04/90/03/135049003.db2.gz JLPLWRLAZFXJRA-OCCSQVGLSA-N 0 3 274.364 2.382 10 0 CEAEHN Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)c(CN)c1C ZINC000088416168 135053965 /nfs/dbraw/zinc/05/39/65/135053965.db2.gz ZYVVHXBFXWRHBL-SNVBAGLBSA-N 0 3 288.317 2.331 10 0 CEAEHN CCCNCc1cncc(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000091418845 135069336 /nfs/dbraw/zinc/06/93/36/135069336.db2.gz MILXMDZMTAHTQU-BETUJISGSA-N 0 3 262.401 2.459 10 0 CEAEHN C[C@@H]1Cc2ccccc2N(c2cncc(CN)n2)C1 ZINC000091421551 135069535 /nfs/dbraw/zinc/06/95/35/135069535.db2.gz ISMILCQLBGBHKR-LLVKDONJSA-N 0 3 254.337 2.266 10 0 CEAEHN C[C@@H](O)c1ccc(N2CCN(C(C)(C)C)CC2)cc1O ZINC000093672290 135081968 /nfs/dbraw/zinc/08/19/68/135081968.db2.gz HHKMZJYGCHYYTJ-GFCCVEGCSA-N 0 3 278.396 2.366 10 0 CEAEHN CC(=O)c1ccc(N2CCC[C@H](N(C)C)C2)cc1O ZINC000093669685 135082160 /nfs/dbraw/zinc/08/21/60/135082160.db2.gz NXSLZSRKTJQHGV-ZDUSSCGKSA-N 0 3 262.353 2.125 10 0 CEAEHN CC1(C)COCCN1c1nc(C(F)(F)F)ccc1CN ZINC000094334167 135085812 /nfs/dbraw/zinc/08/58/12/135085812.db2.gz WHTTZEJVWHYMKH-UHFFFAOYSA-N 0 3 289.301 2.174 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000236865883 394487604 /nfs/dbraw/zinc/48/76/04/394487604.db2.gz RAZXZDVMKLBYMO-YPMHNXCESA-N 0 3 266.410 2.411 10 0 CEAEHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)cc1[O-] ZINC000246547355 394518018 /nfs/dbraw/zinc/51/80/18/394518018.db2.gz KJHOYPWTFAIJNA-KGLIPLIRSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)cc1[O-] ZINC000246547355 394518022 /nfs/dbraw/zinc/51/80/22/394518022.db2.gz KJHOYPWTFAIJNA-KGLIPLIRSA-N 0 3 288.391 2.399 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(C[C@H]3CCCCO3)C2)c1 ZINC000246999132 394524795 /nfs/dbraw/zinc/52/47/95/394524795.db2.gz BJZZGMDOJLFALQ-HUUCEWRRSA-N 0 3 263.385 2.398 10 0 CEAEHN COCCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000247818383 394535706 /nfs/dbraw/zinc/53/57/06/394535706.db2.gz CEAVRWRNKBGHHJ-KBPBESRZSA-N 0 3 278.396 2.221 10 0 CEAEHN CC[C@@H](C)N(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000080012636 394633491 /nfs/dbraw/zinc/63/34/91/394633491.db2.gz WOEWRGUGHJXFSN-OLZOCXBDSA-N 0 3 257.422 2.403 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nc(C)cs1 ZINC000131084871 394903104 /nfs/dbraw/zinc/90/31/04/394903104.db2.gz MCGAAWNATQVFJC-GFCCVEGCSA-N 0 3 253.415 2.368 10 0 CEAEHN Cc1ccc(NC(=O)[C@]2(C)CCCCN2)c(C)c1O ZINC000133174133 394946255 /nfs/dbraw/zinc/94/62/55/394946255.db2.gz LAXMGPJGOOBXRH-HNNXBMFYSA-N 0 3 262.353 2.480 10 0 CEAEHN c1cncc(O[C@@H]2CCN(CCN3CCCCC3)C2)c1 ZINC000152215963 394990205 /nfs/dbraw/zinc/99/02/05/394990205.db2.gz QXUWBPPYDDBNFT-MRXNPFEDSA-N 0 3 275.396 2.021 10 0 CEAEHN CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](N(C)C)C1 ZINC000175550947 395133439 /nfs/dbraw/zinc/13/34/39/395133439.db2.gz DMYDWDORVTZIMY-JSGCOSHPSA-N 0 3 294.370 2.146 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)C[C@@H](C)c1nccs1 ZINC000195216555 395461966 /nfs/dbraw/zinc/46/19/66/395461966.db2.gz OAMBNHUFJYJJMD-OLZOCXBDSA-N 0 3 286.441 2.356 10 0 CEAEHN C[C@@H](NC(=O)CNC1CC1)c1cccc(Br)c1 ZINC000037609303 400117954 /nfs/dbraw/zinc/11/79/54/400117954.db2.gz MJZTYOUEMILKOV-SECBINFHSA-N 0 3 297.196 2.378 10 0 CEAEHN COc1ccc(OC)c(CNCC[C@@H]2CCCO2)c1 ZINC000037988596 400123307 /nfs/dbraw/zinc/12/33/07/400123307.db2.gz JPVJRWIPFWGPEV-ZDUSSCGKSA-N 0 3 265.353 2.363 10 0 CEAEHN C[C@H]1[C@H](Nc2nn(C)cc2N)CCN1Cc1ccccc1 ZINC000307727986 400340020 /nfs/dbraw/zinc/34/00/20/400340020.db2.gz FOSLSZCGZQFPKU-SWLSCSKDSA-N 0 3 285.395 2.077 10 0 CEAEHN Cc1occc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000155739649 289181727 /nfs/dbraw/zinc/18/17/27/289181727.db2.gz FSLKTTGCVYYYEN-GXFFZTMASA-N 0 3 250.342 2.047 10 0 CEAEHN O=C([C@H]1C[C@H](F)CN1)N1CCC(c2ccccc2)CC1 ZINC000188307379 153050028 /nfs/dbraw/zinc/05/00/28/153050028.db2.gz MCWPFVIPHNCMFN-LSDHHAIUSA-N 0 3 276.355 2.093 10 0 CEAEHN COc1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1O ZINC000188409320 153055464 /nfs/dbraw/zinc/05/54/64/153055464.db2.gz HQFWJAZQBSMOKL-CQSZACIVSA-N 0 3 287.363 2.262 10 0 CEAEHN O=C(c1cc2ccccc2o1)N1CCN2CCC[C@H]2C1 ZINC000195313122 153281578 /nfs/dbraw/zinc/28/15/78/153281578.db2.gz AEBJQMGVXFZTAK-ZDUSSCGKSA-N 0 3 270.332 2.353 10 0 CEAEHN Cc1ccc(SCC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000195310291 153284491 /nfs/dbraw/zinc/28/44/91/153284491.db2.gz UOSLXMLPKDNEEX-AWEZNQCLSA-N 0 3 290.432 2.394 10 0 CEAEHN CNCc1ccccc1NC(=O)c1cnc(C)s1 ZINC000226203454 153331427 /nfs/dbraw/zinc/33/14/27/153331427.db2.gz VEILVQPZHOCEDG-UHFFFAOYSA-N 0 3 261.350 2.423 10 0 CEAEHN OCC[C@H]1CCN(CCOc2cccc(Cl)c2)C1 ZINC000227576266 153346772 /nfs/dbraw/zinc/34/67/72/153346772.db2.gz MXLYTBYXQAEPJX-GFCCVEGCSA-N 0 3 269.772 2.423 10 0 CEAEHN CC[C@H]1CC[C@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531663 154118458 /nfs/dbraw/zinc/11/84/58/154118458.db2.gz WVHRSVYKBWQMES-VXGQWTEUSA-N 0 3 280.412 2.092 10 0 CEAEHN CC[C@H]1CC[C@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263531663 154118466 /nfs/dbraw/zinc/11/84/66/154118466.db2.gz WVHRSVYKBWQMES-VXGQWTEUSA-N 0 3 280.412 2.092 10 0 CEAEHN CC[C@H]1CN(c2ccnc(Cl)c2)CCN1C[C@H](C)O ZINC000268146071 154143387 /nfs/dbraw/zinc/14/33/87/154143387.db2.gz DLMYRKGHPNCTPW-RYUDHWBXSA-N 0 3 283.803 2.016 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)cs1 ZINC000176936182 165180775 /nfs/dbraw/zinc/18/07/75/165180775.db2.gz SHUZZOWDLABLDE-VXGBXAGGSA-N 0 3 294.420 2.456 10 0 CEAEHN CCN1CCC[C@H](NC(=O)COc2cc(C)ccc2F)C1 ZINC000178106344 165222539 /nfs/dbraw/zinc/22/25/39/165222539.db2.gz BMEAKAFIOOBQMI-ZDUSSCGKSA-N 0 3 294.370 2.113 10 0 CEAEHN O=C(NCC1(C2CC2)CCC1)N1CCN2CCC[C@@H]2C1 ZINC000179100574 165267412 /nfs/dbraw/zinc/26/74/12/165267412.db2.gz OLGVRHLGWDEEBE-CQSZACIVSA-N 0 3 277.412 2.056 10 0 CEAEHN Cc1c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cnn1C(C)C ZINC000180386623 165305416 /nfs/dbraw/zinc/30/54/16/165305416.db2.gz WQENZVVVUQUOOW-WFASDCNBSA-N 0 3 292.427 2.231 10 0 CEAEHN c1cc(C2CCN(CCO[C@@H]3CCCCO3)CC2)n[nH]1 ZINC000181670681 165353762 /nfs/dbraw/zinc/35/37/62/165353762.db2.gz KSCCQHZULXPWES-OAHLLOKOSA-N 0 3 279.384 2.132 10 0 CEAEHN COCc1ccsc1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000181898070 165361249 /nfs/dbraw/zinc/36/12/49/165361249.db2.gz DGFANCSGJBYFOK-DGCLKSJQSA-N 0 3 294.420 2.203 10 0 CEAEHN COc1ccc(OCC(=O)Nc2cccc(CN)c2)cc1 ZINC000019260465 170761879 /nfs/dbraw/zinc/76/18/79/170761879.db2.gz RGISUFZLGFKKAW-UHFFFAOYSA-N 0 3 286.331 2.171 10 0 CEAEHN O=C(CCNCc1ccc(Cl)cc1)N1CCCC1 ZINC000020127110 171012076 /nfs/dbraw/zinc/01/20/76/171012076.db2.gz RBSGGTBFEGZFMN-UHFFFAOYSA-N 0 3 266.772 2.442 10 0 CEAEHN CN(C)C[C@@H](N[C@H]1CCSC1)c1ccccc1 ZINC000020129270 171016989 /nfs/dbraw/zinc/01/69/89/171016989.db2.gz KFJIFFBHIWODRB-UONOGXRCSA-N 0 3 250.411 2.384 10 0 CEAEHN NC[C@H](c1ccc(OC(F)F)cc1)N1CCSCC1 ZINC000020257057 171111585 /nfs/dbraw/zinc/11/15/85/171111585.db2.gz JEFXPZYHLQEKDA-GFCCVEGCSA-N 0 3 288.363 2.337 10 0 CEAEHN NC[C@H](c1ccc(F)c(F)c1)N1CCSCC1 ZINC000020257016 171112062 /nfs/dbraw/zinc/11/20/62/171112062.db2.gz SCCRPNHEPUCUGU-GFCCVEGCSA-N 0 3 258.337 2.013 10 0 CEAEHN CC[C@@H]([C@@H](N)c1ccccc1)N1CCN(CC)CC1 ZINC000020260058 171116153 /nfs/dbraw/zinc/11/61/53/171116153.db2.gz YIWUMKODFNNSNO-HOTGVXAUSA-N 0 3 261.413 2.103 10 0 CEAEHN CC[C@H](C)NC(=O)[C@@H](C)NCCc1ccc(OC)cc1 ZINC000020364309 171162742 /nfs/dbraw/zinc/16/27/42/171162742.db2.gz KUOUCYDEYRDUDK-QWHCGFSZSA-N 0 3 278.396 2.131 10 0 CEAEHN CC(C)(C)NCc1cc(Cl)ccc1OCC(N)=O ZINC000020873288 171277474 /nfs/dbraw/zinc/27/74/74/171277474.db2.gz KCOUZAJGFGBCAD-UHFFFAOYSA-N 0 3 270.760 2.092 10 0 CEAEHN Cc1cc(F)ccc1CN1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284737953 196120935 /nfs/dbraw/zinc/12/09/35/196120935.db2.gz KTPWPEQSYMHQNB-CVEARBPZSA-N 0 3 278.371 2.039 10 0 CEAEHN NC[C@@H](c1ccc(Br)o1)N1CCCC1 ZINC000022167466 171366317 /nfs/dbraw/zinc/36/63/17/171366317.db2.gz UTCSZVLANVZLNR-QMMMGPOBSA-N 0 3 259.147 2.138 10 0 CEAEHN NC[C@@H](c1cccnc1)N1CCc2sccc2C1 ZINC000022210399 171372834 /nfs/dbraw/zinc/37/28/34/171372834.db2.gz HLNJZAZDPULUKQ-ZDUSSCGKSA-N 0 3 259.378 2.201 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2ccc(Cl)cc2)CCO1 ZINC000022209332 171373074 /nfs/dbraw/zinc/37/30/74/171373074.db2.gz VWCAGFUOIYPCHX-GWCFXTLKSA-N 0 3 254.761 2.061 10 0 CEAEHN Cc1sc2[nH]c(CNCC(C)C)nc(=O)c2c1C ZINC000031934605 171664244 /nfs/dbraw/zinc/66/42/44/171664244.db2.gz SFUBRSDQTRNEGT-UHFFFAOYSA-N 0 3 265.382 2.347 10 0 CEAEHN CC(C)(C)[C@@H](N)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000035411239 172183018 /nfs/dbraw/zinc/18/30/18/172183018.db2.gz FINVKIUIORHPCE-LBPRGKRZSA-N 0 3 261.325 2.380 10 0 CEAEHN CN[C@H](c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000035488180 172223130 /nfs/dbraw/zinc/22/31/30/172223130.db2.gz AZCVBBZXPDSLEZ-ZDUSSCGKSA-N 0 3 281.402 2.460 10 0 CEAEHN CN[C@H](c1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488413 172223242 /nfs/dbraw/zinc/22/32/42/172223242.db2.gz VOVDOBLSVGRWMM-CQSZACIVSA-N 0 3 253.305 2.165 10 0 CEAEHN CCN[C@@H](Cc1ccccc1OC)c1cnn(C)c1 ZINC000035555629 172262023 /nfs/dbraw/zinc/26/20/23/172262023.db2.gz GPYLVXFDZJFLTM-AWEZNQCLSA-N 0 3 259.353 2.322 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1cc(F)ccc1F ZINC000036325931 172610041 /nfs/dbraw/zinc/61/00/41/172610041.db2.gz NGBBYXMAHPSIMC-FZMZJTMJSA-N 0 3 270.323 2.075 10 0 CEAEHN CCN(CC)CCN[C@@H]1CCOc2ccc(OC)cc21 ZINC000037202081 173026078 /nfs/dbraw/zinc/02/60/78/173026078.db2.gz ZTAIQBYTNGDKIN-OAHLLOKOSA-N 0 3 278.396 2.450 10 0 CEAEHN COc1nc2sccn2c1CN[C@@H](C)[C@H]1CCCO1 ZINC000037242481 173058699 /nfs/dbraw/zinc/05/86/99/173058699.db2.gz SJZABVOFENODPP-GXSJLCMTSA-N 0 3 281.381 2.062 10 0 CEAEHN CC(C)c1nn(C)cc1CN[C@H](C)[C@@H]1CCCO1 ZINC000037243013 173058844 /nfs/dbraw/zinc/05/88/44/173058844.db2.gz BYDRHDLIPZNENJ-YPMHNXCESA-N 0 3 251.374 2.201 10 0 CEAEHN CC[C@@H](N[C@@H](C)C(N)=O)c1cccc(Br)c1 ZINC000037261419 173071023 /nfs/dbraw/zinc/07/10/23/173071023.db2.gz RMFQZYFQZZTOHW-GZMMTYOYSA-N 0 3 285.185 2.364 10 0 CEAEHN CCN(CC(=O)Nc1ccc(C)cc1N)CC(C)C ZINC000037273442 173085371 /nfs/dbraw/zinc/08/53/71/173085371.db2.gz KXPZPQRPMDDXOE-UHFFFAOYSA-N 0 3 263.385 2.494 10 0 CEAEHN N[C@H](c1ccc2c(c1)CCCC(=O)N2)[C@@H]1CCCO1 ZINC000037371265 173160100 /nfs/dbraw/zinc/16/01/00/173160100.db2.gz BUDRZFXYHQFPGC-DZGCQCFKSA-N 0 3 260.337 2.140 10 0 CEAEHN CC(C)NCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000037388713 173172684 /nfs/dbraw/zinc/17/26/84/173172684.db2.gz QKCYEQOEWBUFQO-UHFFFAOYSA-N 0 3 261.369 2.223 10 0 CEAEHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1ccccc1F ZINC000037764209 173691521 /nfs/dbraw/zinc/69/15/21/173691521.db2.gz AKDGYLWDZOPJPL-GWCFXTLKSA-N 0 3 252.333 2.376 10 0 CEAEHN CCOC(=O)C1(NCC(C)C)CCN(C(C)C)CC1 ZINC000037966084 173911836 /nfs/dbraw/zinc/91/18/36/173911836.db2.gz OMJDWTACOJJFSN-UHFFFAOYSA-N 0 3 270.417 2.038 10 0 CEAEHN CN1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000039153648 174164234 /nfs/dbraw/zinc/16/42/34/174164234.db2.gz GQPLQVMAOCKIHC-UHFFFAOYSA-N 0 3 270.170 2.362 10 0 CEAEHN CSCC[C@H](N)C(=O)N1CCC[C@H]1c1cccs1 ZINC000040464462 174274041 /nfs/dbraw/zinc/27/40/41/174274041.db2.gz HKMKHWDSBLOIEF-QWRGUYRKSA-N 0 3 284.450 2.492 10 0 CEAEHN CSCC[C@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000040467332 174275822 /nfs/dbraw/zinc/27/58/22/174275822.db2.gz YRQXMLNHKATVIY-WOPDTQHZSA-N 0 3 258.431 2.104 10 0 CEAEHN COc1ccc([C@@H](C)NC(=O)[C@H](N)CC(C)C)cc1OC ZINC000040491246 174292188 /nfs/dbraw/zinc/29/21/88/174292188.db2.gz DWENHOSOFFVQCX-DGCLKSJQSA-N 0 3 294.395 2.254 10 0 CEAEHN N[C@@H](CC(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000040495343 174294352 /nfs/dbraw/zinc/29/43/52/174294352.db2.gz QLQNRFNWGKNTMJ-AWEZNQCLSA-N 0 3 256.305 2.421 10 0 CEAEHN CCN1CCC[C@H](NC(=O)c2cc(N)ccc2Cl)C1 ZINC000040501632 174298207 /nfs/dbraw/zinc/29/82/07/174298207.db2.gz NVISTZRYWPNJKI-NSHDSACASA-N 0 3 281.787 2.136 10 0 CEAEHN CCN1CCC[C@H](NCc2cccc3c2OCCO3)C1 ZINC000040502661 174299235 /nfs/dbraw/zinc/29/92/35/174299235.db2.gz YGMXGEQTAIRYQB-AWEZNQCLSA-N 0 3 276.380 2.032 10 0 CEAEHN CCN1CCC[C@H](Nc2cc3ccccc3c(=O)[nH]2)C1 ZINC000040503115 174299859 /nfs/dbraw/zinc/29/98/59/174299859.db2.gz VJTHTJMKJLYXJK-ZDUSSCGKSA-N 0 3 271.364 2.424 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519102 174308385 /nfs/dbraw/zinc/30/83/85/174308385.db2.gz UQULMPPOCQELNV-SCZZXKLOSA-N 0 3 255.387 2.065 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)[C@H](N)CC(C)C)s1 ZINC000040519047 174308448 /nfs/dbraw/zinc/30/84/48/174308448.db2.gz NEGDLFVDFPDMOG-GXSJLCMTSA-N 0 3 269.414 2.311 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000040630287 174357804 /nfs/dbraw/zinc/35/78/04/174357804.db2.gz SZVGOPNOSPEPJS-KCJUWKMLSA-N 0 3 289.162 2.309 10 0 CEAEHN COc1ccccc1[C@@H](C)NCCc1nccn1C ZINC000040638674 174362879 /nfs/dbraw/zinc/36/28/79/174362879.db2.gz LIFWYIMXKFCRDD-GFCCVEGCSA-N 0 3 259.353 2.322 10 0 CEAEHN C[C@H]1CCN([C@@H](CN)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000040717375 174384923 /nfs/dbraw/zinc/38/49/23/174384923.db2.gz AKWVKKIQOAVUEG-CABZTGNLSA-N 0 3 282.771 2.410 10 0 CEAEHN Cc1nn(C[C@@H](N)c2ccc3c(c2)OCCO3)c(C)c1C ZINC000040729756 174388144 /nfs/dbraw/zinc/38/81/44/174388144.db2.gz OZVYPVIWSIZMJL-CQSZACIVSA-N 0 3 287.363 2.280 10 0 CEAEHN COc1ccc(CN[C@H]2CCC[C@H](O)C2)c(F)c1 ZINC000404594072 414789248 /nfs/dbraw/zinc/78/92/48/414789248.db2.gz OIGUFTIGAMXPHF-RYUDHWBXSA-N 0 3 253.317 2.227 10 0 CEAEHN Cc1cc(C(=O)N(C)[C@@H](CN)C(F)(F)F)c(C)s1 ZINC000662977857 414816969 /nfs/dbraw/zinc/81/69/69/414816969.db2.gz MQACQOLCCHNAID-VIFPVBQESA-N 0 3 280.315 2.327 10 0 CEAEHN CSc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000660480379 414841861 /nfs/dbraw/zinc/84/18/61/414841861.db2.gz UCQZANDADWTRTM-GXFFZTMASA-N 0 3 264.394 2.165 10 0 CEAEHN CCN([C@H](C)COC)[C@@H](CN)c1cccc(OC)c1OC ZINC000042743275 174863819 /nfs/dbraw/zinc/86/38/19/174863819.db2.gz AMBFFUIYXKSYJH-OCCSQVGLSA-N 0 3 296.411 2.060 10 0 CEAEHN COc1c(CNCCCOC(C)(C)C)c(C)nn1C ZINC000657638137 415034316 /nfs/dbraw/zinc/03/43/16/415034316.db2.gz QPENYHLBUSOIRZ-UHFFFAOYSA-N 0 3 269.389 2.032 10 0 CEAEHN N[C@H](c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299874 175000272 /nfs/dbraw/zinc/00/02/72/175000272.db2.gz KTBGJSFRLUGQEU-HUUCEWRRSA-N 0 3 275.373 2.274 10 0 CEAEHN N[C@H](c1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000043299790 175000581 /nfs/dbraw/zinc/00/05/81/175000581.db2.gz CHNRLMZKUMUGBL-DOMZBBRYSA-N 0 3 275.373 2.274 10 0 CEAEHN CCCN[C@H](c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301366 175001918 /nfs/dbraw/zinc/00/19/18/175001918.db2.gz POVJDMFXHUGOIZ-DZGCQCFKSA-N 0 3 297.420 2.171 10 0 CEAEHN COc1ccc([O-])c(C(=O)N(C)c2ccc(C[NH3+])cc2)c1 ZINC000043327687 175009111 /nfs/dbraw/zinc/00/91/11/175009111.db2.gz FMXHTWYUAGHXBT-UHFFFAOYSA-N 0 3 286.331 2.136 10 0 CEAEHN NC[C@@H](Oc1ccc2c(c1)CCC(=O)N2)c1ccco1 ZINC000043336621 175012745 /nfs/dbraw/zinc/01/27/45/175012745.db2.gz BEHOZRBGFPWDPN-CQSZACIVSA-N 0 3 272.304 2.243 10 0 CEAEHN NC[C@@H](c1ccncc1)N1CCC[C@@H]1c1ccncc1 ZINC000043353654 175021002 /nfs/dbraw/zinc/02/10/02/175021002.db2.gz VHFKOABFMTYVPW-CVEARBPZSA-N 0 3 268.364 2.314 10 0 CEAEHN CCO[C@@H]1CCCN([C@@H](c2ccc(C)o2)[C@@H](C)N)C1 ZINC000043365060 175026613 /nfs/dbraw/zinc/02/66/13/175026613.db2.gz YWVLRFZLNSSRBU-UMVBOHGHSA-N 0 3 266.385 2.477 10 0 CEAEHN CN(Cc1cnn(C)c1)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390519 175033686 /nfs/dbraw/zinc/03/36/86/175033686.db2.gz CRJCYIFZEWHOTC-AWEZNQCLSA-N 0 3 296.777 2.344 10 0 CEAEHN COCCN(C)[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390482 175033763 /nfs/dbraw/zinc/03/37/63/175033763.db2.gz AKSGJBIDDZOJKG-LBPRGKRZSA-N 0 3 260.740 2.057 10 0 CEAEHN Cc1ccc(C(N)=S)c(N[C@@H](CC(C)C)CN(C)C)n1 ZINC000043396924 175036759 /nfs/dbraw/zinc/03/67/59/175036759.db2.gz KOZONRGWWKRZSQ-LBPRGKRZSA-N 0 3 294.468 2.412 10 0 CEAEHN C[C@@H](CC(C)(C)c1ccccc1)N[C@@H]1CCNC1=O ZINC000658052851 415174674 /nfs/dbraw/zinc/17/46/74/415174674.db2.gz PPBLUXLCTJFOFQ-GXTWGEPZSA-N 0 3 260.381 2.221 10 0 CEAEHN CCN(CC)C[C@@H](NC)c1ccc2c(c1)OCCO2 ZINC000043808950 175109588 /nfs/dbraw/zinc/10/95/88/175109588.db2.gz XBHDIHHCLFADPB-CYBMUJFWSA-N 0 3 264.369 2.060 10 0 CEAEHN CN[C@H](CN(C)C1CC1)c1ccc(OC)cc1OC ZINC000043822465 175114750 /nfs/dbraw/zinc/11/47/50/175114750.db2.gz ZERIZYPQKUVQSS-CQSZACIVSA-N 0 3 264.369 2.059 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N(C)CC1CC1 ZINC000043906174 175122978 /nfs/dbraw/zinc/12/29/78/175122978.db2.gz ZBIOHOGMNYDLND-HOCLYGCPSA-N 0 3 260.381 2.440 10 0 CEAEHN CN[C@H](CN(C)C[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000043965847 175127049 /nfs/dbraw/zinc/12/70/49/175127049.db2.gz YKQOSLLBXRGWAT-JKSUJKDBSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N(C)C[C@@H]1CCCO1 ZINC000043966162 175128211 /nfs/dbraw/zinc/12/82/11/175128211.db2.gz QPMMTRBJCOZGSE-QRTARXTBSA-N 0 3 290.407 2.209 10 0 CEAEHN Fc1cccc(F)c1-c1csc(N2CCNCC2)n1 ZINC000044494095 175181253 /nfs/dbraw/zinc/18/12/53/175181253.db2.gz RPYPVMTXAVPMHT-UHFFFAOYSA-N 0 3 281.331 2.498 10 0 CEAEHN CCCNC(=O)[C@H](C)N[C@H]1CCCc2cc(O)ccc21 ZINC000044747155 175242450 /nfs/dbraw/zinc/24/24/50/175242450.db2.gz FTXGSZNCVCEVTF-NHYWBVRUSA-N 0 3 276.380 2.274 10 0 CEAEHN C[C@H]1CCCCN1C(=O)[C@H](CN)Cc1ccccc1 ZINC000044795522 175254569 /nfs/dbraw/zinc/25/45/69/175254569.db2.gz XYVAJQOWGDHGKK-ZFWWWQNUSA-N 0 3 260.381 2.205 10 0 CEAEHN CCC[C@H](C)NC(=O)[C@H](C)NCCOCCC(C)C ZINC000045106868 175308024 /nfs/dbraw/zinc/30/80/24/175308024.db2.gz YDTMAUNRCXAEIY-KBPBESRZSA-N 0 3 272.433 2.332 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c([C@H](N)CC(C)C)n1 ZINC000045169361 175319754 /nfs/dbraw/zinc/31/97/54/175319754.db2.gz UKSRZHVFWOLGSO-LLVKDONJSA-N 0 3 261.373 2.473 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC000045168986 175319798 /nfs/dbraw/zinc/31/97/98/175319798.db2.gz QDPAZATYQOWYMM-BREBYQMCSA-N 0 3 251.374 2.255 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@@H](C)CN2CCCC2=O)c1C ZINC000045171750 175321083 /nfs/dbraw/zinc/32/10/83/175321083.db2.gz VBOXZPCDVZHBBL-NWDGAFQWSA-N 0 3 292.427 2.181 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H](C)NCCN1CCC(C)CC1 ZINC000045172200 175321469 /nfs/dbraw/zinc/32/14/69/175321469.db2.gz XAZNWXIZWLJKEW-CYBMUJFWSA-N 0 3 278.444 2.419 10 0 CEAEHN CCCCN(C)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045221905 175330857 /nfs/dbraw/zinc/33/08/57/175330857.db2.gz OKZFCZADVVIGNS-MRXNPFEDSA-N 0 3 278.396 2.006 10 0 CEAEHN CCCCN(C)C[C@](N)(C(=O)OCC)c1ccccc1 ZINC000045221891 175330927 /nfs/dbraw/zinc/33/09/27/175330927.db2.gz SUERVZLFNHGKST-MRXNPFEDSA-N 0 3 278.396 2.136 10 0 CEAEHN CCCCN(CC)C[C@@](C)(NCC)C(=O)OCC ZINC000045223289 175331204 /nfs/dbraw/zinc/33/12/04/175331204.db2.gz IHRCSDYUWLTFGQ-CQSZACIVSA-N 0 3 258.406 2.040 10 0 CEAEHN CCOC(=O)[C@](C)(CCN1CCCCC1)NC(C)C ZINC000045230142 175334380 /nfs/dbraw/zinc/33/43/80/175334380.db2.gz ZLIHKZDLKNGOFQ-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CN[C@@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273811 175343903 /nfs/dbraw/zinc/34/39/03/175343903.db2.gz OSMYHOOSVXPECM-AWEZNQCLSA-N 0 3 258.406 2.053 10 0 CEAEHN COc1ccc(OC)c([C@@H](C)NC2CC(CO)C2)c1 ZINC000658351920 415334671 /nfs/dbraw/zinc/33/46/71/415334671.db2.gz QWJHQBGUWPHJJW-VOMCLLRMSA-N 0 3 265.353 2.125 10 0 CEAEHN Cc1cc([C@H](N)[C@@H]2COCCO2)c(C)cc1Cl ZINC000070475003 175949276 /nfs/dbraw/zinc/94/92/76/175949276.db2.gz KNBXBHXPARBPJM-STQMWFEESA-N 0 3 255.745 2.372 10 0 CEAEHN NCc1ccnn1Cc1ccc(Br)cc1F ZINC000070708263 176002290 /nfs/dbraw/zinc/00/22/90/176002290.db2.gz OSZAFYJDFBIBQT-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN NCc1ccn(Cc2ccc(Br)s2)n1 ZINC000070708162 176002499 /nfs/dbraw/zinc/00/24/99/176002499.db2.gz CTYMSMUERMYGCU-UHFFFAOYSA-N 0 3 272.171 2.214 10 0 CEAEHN NCc1ccn(Cc2cc(Br)cs2)n1 ZINC000070708194 176002545 /nfs/dbraw/zinc/00/25/45/176002545.db2.gz DDHCLZMAGCZJFY-UHFFFAOYSA-N 0 3 272.171 2.214 10 0 CEAEHN N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1cccc2cccnc21 ZINC000070987252 176018745 /nfs/dbraw/zinc/01/87/45/176018745.db2.gz JJFGVQYEHPKUJC-RHSMWYFYSA-N 0 3 281.359 2.388 10 0 CEAEHN C[C@@H](Cc1ccc(F)cc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071031263 176022446 /nfs/dbraw/zinc/02/24/46/176022446.db2.gz SJZOZMRXHPRTCO-XHDPSFHLSA-N 0 3 276.355 2.110 10 0 CEAEHN Cc1ccc2cccc(N3CC[C@H](NC4CC4)C3=O)c2n1 ZINC000071031457 176022971 /nfs/dbraw/zinc/02/29/71/176022971.db2.gz UUXYENQHQFLCIM-AWEZNQCLSA-N 0 3 281.359 2.401 10 0 CEAEHN CC1CCC(N2CCC[C@H](NC3CC3)C2=O)CC1 ZINC000071035475 176025266 /nfs/dbraw/zinc/02/52/66/176025266.db2.gz ZUBINMRMUBIYME-UBHUBRDASA-N 0 3 250.386 2.308 10 0 CEAEHN CC1CCC(N2CCC[C@@H](NC3CC3)C2=O)CC1 ZINC000071035477 176025575 /nfs/dbraw/zinc/02/55/75/176025575.db2.gz ZUBINMRMUBIYME-UXUKBGGZSA-N 0 3 250.386 2.308 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1C12CC3CC(CC(C3)C1)C2 ZINC000071035699 176025672 /nfs/dbraw/zinc/02/56/72/176025672.db2.gz LZWXJAPNCCHDSO-XWWZASNVSA-N 0 3 274.408 2.308 10 0 CEAEHN CCOc1cccc(N2CC[C@@H](NC(C)C)C2=O)c1 ZINC000071036727 176025863 /nfs/dbraw/zinc/02/58/63/176025863.db2.gz BBWVHISBDSRELD-CQSZACIVSA-N 0 3 262.353 2.189 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1ccccc1OC(F)F ZINC000071039476 176027030 /nfs/dbraw/zinc/02/70/30/176027030.db2.gz FQWNCBBSVZJWSX-JTQLQIEISA-N 0 3 282.290 2.145 10 0 CEAEHN C[C@@H](Cc1cccs1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071043840 176029562 /nfs/dbraw/zinc/02/95/62/176029562.db2.gz ADJPGVBMMQLLPY-SMDDNHRTSA-N 0 3 278.421 2.422 10 0 CEAEHN CC[C@H]1CCC[C@@](NCCN(CC)CC)(C(=O)OC)C1 ZINC000071125753 176035723 /nfs/dbraw/zinc/03/57/23/176035723.db2.gz OVVOSZDPKQOGQI-HOCLYGCPSA-N 0 3 284.444 2.430 10 0 CEAEHN CN1CC[C@@H](NCCc2ccc(Cl)cc2Cl)C1=O ZINC000071183479 176059061 /nfs/dbraw/zinc/05/90/61/176059061.db2.gz IHQAELUJZMTWNF-GFCCVEGCSA-N 0 3 287.190 2.356 10 0 CEAEHN CC(=O)c1ccc(N(C)C[C@@H]2CCN(C)C2)c(F)c1 ZINC000071189368 176064942 /nfs/dbraw/zinc/06/49/42/176064942.db2.gz FHBXGKOLWAMEFE-GFCCVEGCSA-N 0 3 264.344 2.416 10 0 CEAEHN C[C@H]1CCC[C@@H]1NCc1cc(C(N)=O)ccc1F ZINC000071207301 176080939 /nfs/dbraw/zinc/08/09/39/176080939.db2.gz KEFHFFRWUZAIIA-ZANVPECISA-N 0 3 250.317 2.203 10 0 CEAEHN Cc1ccc(OCCOCC(F)(F)F)c(CN)c1 ZINC000071403219 176154926 /nfs/dbraw/zinc/15/49/26/176154926.db2.gz XVMQFVHIKPUMPW-UHFFFAOYSA-N 0 3 263.259 2.411 10 0 CEAEHN CC[C@H](C)NC(=O)COc1ccc(C)cc1CNC ZINC000071403733 176155286 /nfs/dbraw/zinc/15/52/86/176155286.db2.gz NSMHFNMFTQZLID-LBPRGKRZSA-N 0 3 264.369 2.008 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)Oc1ccc(C)cc1CNC ZINC000071403699 176155313 /nfs/dbraw/zinc/15/53/13/176155313.db2.gz AQPOZTGPTNWNIZ-CYBMUJFWSA-N 0 3 278.396 2.350 10 0 CEAEHN CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1CNC ZINC000071403671 176155416 /nfs/dbraw/zinc/15/54/16/176155416.db2.gz BKPBAPOHUQOFQP-QWHCGFSZSA-N 0 3 278.396 2.396 10 0 CEAEHN COC(=O)[C@@H](C)Oc1ccc(C)cc1CNC(C)C ZINC000071406487 176155641 /nfs/dbraw/zinc/15/56/41/176155641.db2.gz VMPKYZZFJPMSLO-GFCCVEGCSA-N 0 3 265.353 2.433 10 0 CEAEHN COC(=O)COc1ccc(C)cc1CNC(C)C ZINC000071406604 176155927 /nfs/dbraw/zinc/15/59/27/176155927.db2.gz IKPNNTMUQRJVHA-UHFFFAOYSA-N 0 3 251.326 2.045 10 0 CEAEHN c1csc([C@@H]2CCCCN2C[C@H]2CCC3(CNC3)O2)n1 ZINC000662260288 415729695 /nfs/dbraw/zinc/72/96/95/415729695.db2.gz KNAAJEJRWCKMPI-OLZOCXBDSA-N 0 3 293.436 2.191 10 0 CEAEHN CCN(CC)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000071999549 176308351 /nfs/dbraw/zinc/30/83/51/176308351.db2.gz RVBRMHXFVXOOSR-OAHLLOKOSA-N 0 3 277.412 2.211 10 0 CEAEHN N[C@H](CS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000075418121 176699034 /nfs/dbraw/zinc/69/90/34/176699034.db2.gz SFDHOBAWNOGGED-CQSZACIVSA-N 0 3 267.394 2.368 10 0 CEAEHN CCOc1ccc(N(C)C(=O)CNC(C)C)cc1C ZINC000076369325 177006184 /nfs/dbraw/zinc/00/61/84/177006184.db2.gz LFAWMNQVJVZAPR-UHFFFAOYSA-N 0 3 264.369 2.355 10 0 CEAEHN CN[C@H](C(=O)c1cc(OC)c(OC)cc1C)C(C)C ZINC000076372363 177008740 /nfs/dbraw/zinc/00/87/40/177008740.db2.gz NUUJQTOFTXOTHS-AWEZNQCLSA-N 0 3 265.353 2.439 10 0 CEAEHN C[C@@H](c1ccccc1)N1CCN(C(C)(C)C(N)=S)CC1 ZINC000078626842 177362240 /nfs/dbraw/zinc/36/22/40/177362240.db2.gz YAZLGVWYWJQCMU-ZDUSSCGKSA-N 0 3 291.464 2.430 10 0 CEAEHN CCOc1cc2c(cc1CNCC[C@H](C)O)O[C@H](C)C2 ZINC000078781947 177387589 /nfs/dbraw/zinc/38/75/89/177387589.db2.gz YXNOVPBJOSIUAN-NWDGAFQWSA-N 0 3 279.380 2.269 10 0 CEAEHN C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000155051820 287334851 /nfs/dbraw/zinc/33/48/51/287334851.db2.gz WSEAWEGGFAJTAE-ZBFHGGJFSA-N 0 3 294.439 2.278 10 0 CEAEHN CN(C)C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000667770094 419797173 /nfs/dbraw/zinc/79/71/73/419797173.db2.gz OMTFDPQIHLWBMA-YESZJQIVSA-N 0 3 274.408 2.446 10 0 CEAEHN C[C@H](COCc1ccccc1)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000390728017 262247044 /nfs/dbraw/zinc/24/70/44/262247044.db2.gz SXJMFUVSIORVMF-FMKPAKJESA-N 0 3 290.407 2.096 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCc2cccc(F)c2F)C1 ZINC000195183479 270307071 /nfs/dbraw/zinc/30/70/71/270307071.db2.gz OCSRHSGRQIDXRD-CYBMUJFWSA-N 0 3 296.361 2.498 10 0 CEAEHN Cc1cc(N2CCNC(C)(C)C2)ncc1Br ZINC000163921156 274708605 /nfs/dbraw/zinc/70/86/05/274708605.db2.gz ZZKKQMZRDXCFSU-UHFFFAOYSA-N 0 3 284.201 2.341 10 0 CEAEHN CCC[C@@H](C(=O)NCc1nc2cc(C)ccc2[nH]1)N(C)C ZINC000179495865 276021278 /nfs/dbraw/zinc/02/12/78/276021278.db2.gz RLJPFWZRELDSON-AWEZNQCLSA-N 0 3 288.395 2.218 10 0 CEAEHN CCC[C@@H](C(=O)NCc1nc2ccc(C)cc2[nH]1)N(C)C ZINC000179495865 276021281 /nfs/dbraw/zinc/02/12/81/276021281.db2.gz RLJPFWZRELDSON-AWEZNQCLSA-N 0 3 288.395 2.218 10 0 CEAEHN CCC[C@H](C(=O)NCCC[C@H]1CCCCO1)N(C)C ZINC000183431991 276281846 /nfs/dbraw/zinc/28/18/46/276281846.db2.gz KENDZEVVFSGHOU-ZIAGYGMSSA-N 0 3 270.417 2.182 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037042620 276285563 /nfs/dbraw/zinc/28/55/63/276285563.db2.gz BXRYVVGBDZCTFV-GUBZILKMSA-N 0 3 266.307 2.351 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000262144909 276292037 /nfs/dbraw/zinc/29/20/37/276292037.db2.gz PWGODPPDXZIBJU-LZWOXQAQSA-N 0 3 276.380 2.150 10 0 CEAEHN CCc1ccc([C@@H]2CCCCN2C(=O)CNC)o1 ZINC000193131085 276670634 /nfs/dbraw/zinc/67/06/34/276670634.db2.gz ZPCNQHILKGBPMM-LBPRGKRZSA-N 0 3 250.342 2.115 10 0 CEAEHN CN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000173401099 276887510 /nfs/dbraw/zinc/88/75/10/276887510.db2.gz KKIZYPVQRLOXDC-HUUCEWRRSA-N 0 3 264.413 2.413 10 0 CEAEHN CN1CCO[C@@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000180489560 276933781 /nfs/dbraw/zinc/93/37/81/276933781.db2.gz FENUDAOCPUGTGP-BBRMVZONSA-N 0 3 274.408 2.329 10 0 CEAEHN CN1CCO[C@H](CN[C@H]2CC(C)(C)c3ccccc32)C1 ZINC000180489524 277128232 /nfs/dbraw/zinc/12/82/32/277128232.db2.gz FENUDAOCPUGTGP-CJNGLKHVSA-N 0 3 274.408 2.329 10 0 CEAEHN C[C@@H](NC(=O)[C@H]1NCCCC1(C)C)c1cccnc1 ZINC000235176089 277612121 /nfs/dbraw/zinc/61/21/21/277612121.db2.gz RAUSRIXRFULHRP-DGCLKSJQSA-N 0 3 261.369 2.037 10 0 CEAEHN CC(F)(F)CCN1CCS[C@H]2COCC[C@@H]21 ZINC000334605793 278160710 /nfs/dbraw/zinc/16/07/10/278160710.db2.gz JZRATKBUGHNVEY-UWVGGRQHSA-N 0 3 251.342 2.238 10 0 CEAEHN CC(C)(C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000171585805 278264465 /nfs/dbraw/zinc/26/44/65/278264465.db2.gz BVCQHPKSRJBZMX-HNNXBMFYSA-N 0 3 272.392 2.271 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@H](CNCCF)C1 ZINC000309933996 278393889 /nfs/dbraw/zinc/39/38/89/278393889.db2.gz AJNKQOWGHBAEGJ-LLVKDONJSA-N 0 3 260.353 2.193 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)C2CCCCC2)C1 ZINC000263531140 279059913 /nfs/dbraw/zinc/05/99/13/279059913.db2.gz WMPLQCKBTXGJPG-LRVUVFPRSA-N 0 3 282.428 2.482 10 0 CEAEHN CCOC[C@@H](C)N[C@H](CN(C)C)c1ccccc1 ZINC000128699763 279893757 /nfs/dbraw/zinc/89/37/57/279893757.db2.gz YJIJUUBJNHHFJB-UKRRQHHQSA-N 0 3 250.386 2.304 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)C[C@H](C)SC ZINC000245703284 280257224 /nfs/dbraw/zinc/25/72/24/280257224.db2.gz XAQOEDSKRCAVRA-NWDGAFQWSA-N 0 3 258.431 2.071 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CC[C@H](C)[C@@H](C)C2)C1 ZINC000245891337 280264293 /nfs/dbraw/zinc/26/42/93/280264293.db2.gz JPLWMVZQWARAII-IHRRRGAJSA-N 0 3 267.417 2.158 10 0 CEAEHN CC[C@H](C)CN(C)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247334737 280326794 /nfs/dbraw/zinc/32/67/94/280326794.db2.gz NDOJEXHVMZZADA-MJBXVCDLSA-N 0 3 269.433 2.403 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1C(C)C ZINC000249289285 280391596 /nfs/dbraw/zinc/39/15/96/280391596.db2.gz JWIAMBRXUCXQPZ-MCIONIFRSA-N 0 3 252.402 2.221 10 0 CEAEHN c1ccc2c(c1)nccc2N1CC[C@H](N2CCOCC2)C1 ZINC000173976245 280494849 /nfs/dbraw/zinc/49/48/49/280494849.db2.gz BDMRWAYPYGNVJM-AWEZNQCLSA-N 0 3 283.375 2.146 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H]1CCSC1 ZINC000226402739 288294422 /nfs/dbraw/zinc/29/44/22/288294422.db2.gz PVIGQWARCYNHIN-HZSPNIEDSA-N 0 3 254.443 2.298 10 0 CEAEHN COCCC1(CNC(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000151274356 289054008 /nfs/dbraw/zinc/05/40/08/289054008.db2.gz XDSMDGQFDFVUCD-CQSZACIVSA-N 0 3 299.459 2.079 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCCCC2(C)C)C1 ZINC000157177152 289209204 /nfs/dbraw/zinc/20/92/04/289209204.db2.gz GJJBZBNEKWDIJG-STQMWFEESA-N 0 3 267.417 2.301 10 0 CEAEHN CCC[C@@H](C(=O)NCC1(CCOCC)CCC1)N(C)C ZINC000157749683 289221156 /nfs/dbraw/zinc/22/11/56/289221156.db2.gz PQUKKVBOIMHSEL-AWEZNQCLSA-N 0 3 284.444 2.430 10 0 CEAEHN CCC[C@@H](C(=O)N[C@H](C)CCSCC)N(C)C ZINC000162358543 297451681 /nfs/dbraw/zinc/45/16/81/297451681.db2.gz QQGVYJQSFPKGMM-NEPJUHHUSA-N 0 3 260.447 2.365 10 0 CEAEHN Cc1nc2ccccc2cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170857168 297471650 /nfs/dbraw/zinc/47/16/50/297471650.db2.gz KBKSENVORZSQQG-AWEZNQCLSA-N 0 3 283.375 2.319 10 0 CEAEHN NC1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000147746752 303356516 /nfs/dbraw/zinc/35/65/16/303356516.db2.gz KKCIXLAKRBXWCX-BDAKNGLRSA-N 0 3 264.291 2.105 10 0 CEAEHN CCC[C@H](C(=O)NCC(O)(CCC)CCC)N(C)C ZINC000162230680 312647671 /nfs/dbraw/zinc/64/76/71/312647671.db2.gz LEAKWYONIMGSRZ-CYBMUJFWSA-N 0 3 272.433 2.164 10 0 CEAEHN CCc1nnc(CNC2[C@@H](C)CCC[C@@H]2C)n1C ZINC000182721531 312830348 /nfs/dbraw/zinc/83/03/48/312830348.db2.gz BBUYUJBONCLWTI-QWRGUYRKSA-N 0 3 250.390 2.292 10 0 CEAEHN COc1c(CNCCc2ccc(F)c(F)c2)c(C)nn1C ZINC000190280818 321781766 /nfs/dbraw/zinc/78/17/66/321781766.db2.gz PPHDPYVSQOGVGF-UHFFFAOYSA-N 0 3 295.333 2.348 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC000238109640 333182946 /nfs/dbraw/zinc/18/29/46/333182946.db2.gz SIFXOCTVGYHNIX-UONOGXRCSA-N 0 3 274.364 2.493 10 0 CEAEHN CC(C)[C@@H]1CC[C@H](O)[C@H](N2CCOCC2(C)C)C1 ZINC000054558443 519803562 /nfs/dbraw/zinc/80/35/62/519803562.db2.gz XTGACXIGWYAXEE-MCIONIFRSA-N 0 3 255.402 2.283 10 0 CEAEHN CCCC1CCN(CC[C@@](C)(NC)C(=O)OCC)CC1 ZINC000050905736 519901739 /nfs/dbraw/zinc/90/17/39/519901739.db2.gz QUXPXZVRPYMYID-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000061293896 519906143 /nfs/dbraw/zinc/90/61/43/519906143.db2.gz NCUVQFYNRXXBEQ-UHFFFAOYSA-N 0 3 266.389 2.407 10 0 CEAEHN CC[NH2+]CCS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000049641091 519924643 /nfs/dbraw/zinc/92/46/43/519924643.db2.gz WLNHRJHVCMDLER-UHFFFAOYSA-N 0 3 297.207 2.345 10 0 CEAEHN CCCNCc1nc(CN(C)[C@H](C)COC)cs1 ZINC000052511219 519964645 /nfs/dbraw/zinc/96/46/45/519964645.db2.gz WLPYFTSGTUXEAP-LLVKDONJSA-N 0 3 271.430 2.109 10 0 CEAEHN CCC[NH2+][C@H](CCN(C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456659 520072883 /nfs/dbraw/zinc/07/28/83/520072883.db2.gz FWFZGARUSBKNLN-NWDGAFQWSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456659 520072895 /nfs/dbraw/zinc/07/28/95/520072895.db2.gz FWFZGARUSBKNLN-NWDGAFQWSA-N 0 3 258.406 2.196 10 0 CEAEHN CCCN[C@H](CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456659 520072905 /nfs/dbraw/zinc/07/29/05/520072905.db2.gz FWFZGARUSBKNLN-NWDGAFQWSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@@H](CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000062454388 520086418 /nfs/dbraw/zinc/08/64/18/520086418.db2.gz NYFHBRZHJSKAQH-ZDUSSCGKSA-N 0 3 258.406 2.053 10 0 CEAEHN CCCCCC[C@@H](C)N[C@@H]1CC(=O)N(C2CC2)C1=O ZINC000049200100 520117139 /nfs/dbraw/zinc/11/71/39/520117139.db2.gz SYRIXMSPUNUVGN-DGCLKSJQSA-N 0 3 266.385 2.225 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)[NH+](CC1CC1)CC1CC1)C(=O)[O-] ZINC000068647957 520138705 /nfs/dbraw/zinc/13/87/05/520138705.db2.gz QISDOWIHTRYOSK-WBMJQRKESA-N 0 3 282.428 2.340 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)N[C@@H](C)CN1CCCCC1 ZINC000049501640 521342599 /nfs/dbraw/zinc/34/25/99/521342599.db2.gz WVQBQSWOPWYSNU-KBPBESRZSA-N 0 3 283.460 2.144 10 0 CEAEHN CCN1CCC(N(C)c2nc(C)c([C@@H](C)O)s2)CC1 ZINC000054927994 521567597 /nfs/dbraw/zinc/56/75/97/521567597.db2.gz CIIHUDHHTHDZOY-LLVKDONJSA-N 0 3 283.441 2.425 10 0 CEAEHN CN(C)Cc1ccc(NC(=O)c2csc(N)n2)cc1 ZINC000055186631 521910155 /nfs/dbraw/zinc/91/01/55/521910155.db2.gz USPOVFGQGAKABO-UHFFFAOYSA-N 0 3 276.365 2.039 10 0 CEAEHN CNCc1c(C)nc(-c2ccccc2OC)nc1C ZINC000054854059 522099583 /nfs/dbraw/zinc/09/95/83/522099583.db2.gz LQBJGIFOTBRGQW-UHFFFAOYSA-N 0 3 257.337 2.488 10 0 CEAEHN CNCc1cnn(Cc2c(F)cccc2Cl)c1 ZINC000054719227 522149606 /nfs/dbraw/zinc/14/96/06/522149606.db2.gz IFYLGPGODGQTNR-UHFFFAOYSA-N 0 3 253.708 2.443 10 0 CEAEHN CN[C@@H](C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000054076439 522320858 /nfs/dbraw/zinc/32/08/58/522320858.db2.gz RQOOZQLYGSSDOM-JTQLQIEISA-N 0 3 277.368 2.218 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1O[C@H]1CCC[C@@H]1O ZINC000062746345 522447568 /nfs/dbraw/zinc/44/75/68/522447568.db2.gz BTPZVXMOAITPIT-ICCXJUOJSA-N 0 3 253.317 2.398 10 0 CEAEHN C/C=C/COc1ccc(OC)cc1CNCCOC ZINC000062727727 518518402 /nfs/dbraw/zinc/51/84/02/518518402.db2.gz KAUIRSKKDLYOEI-SNAWJCMRSA-N 0 3 265.353 2.386 10 0 CEAEHN CC(C)(C)[C@H]1CCCc2c(N3CCNCC3)n[nH]c21 ZINC000062670053 518976321 /nfs/dbraw/zinc/97/63/21/518976321.db2.gz VZVXDBGUQGBFJG-LBPRGKRZSA-N 0 3 262.401 2.285 10 0 CEAEHN CC(C)C[C@H](C)OC[C@@](NC(C)C)(C(N)=O)C1CC1 ZINC000069196509 519323832 /nfs/dbraw/zinc/32/38/32/519323832.db2.gz HFKCSWBXHHQJLL-WFASDCNBSA-N 0 3 270.417 2.070 10 0 CEAEHN CC(C)N1C(=O)C[C@H](N)[C@H]1c1ccccc1Cl ZINC000062209407 519666597 /nfs/dbraw/zinc/66/65/97/519666597.db2.gz DOXPSJNLDJFXKA-WCQYABFASA-N 0 3 252.745 2.349 10 0 CEAEHN CC(C)C[NH+](CC[C@H](NC1CC1)C(=O)[O-])CC(C)C ZINC000062454429 519717311 /nfs/dbraw/zinc/71/73/11/519717311.db2.gz WNNUACSAAVPFMN-AWEZNQCLSA-N 0 3 270.417 2.196 10 0 CEAEHN CC(C)NCc1occc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000052380447 519730285 /nfs/dbraw/zinc/73/02/85/519730285.db2.gz ZMIYKQJRECNBCZ-STQMWFEESA-N 0 3 266.385 2.387 10 0 CEAEHN CC(C)N[C@@H](CCSCc1ccccc1)C(N)=O ZINC000062598164 519734654 /nfs/dbraw/zinc/73/46/54/519734654.db2.gz YRWDDRVLHLOECT-ZDUSSCGKSA-N 0 3 266.410 2.162 10 0 CEAEHN CC(C)CNCc1nnnn1-c1cccc2c1CCCC2 ZINC000054745014 519748805 /nfs/dbraw/zinc/74/88/05/519748805.db2.gz ZPTAZXFFMQALMI-UHFFFAOYSA-N 0 3 285.395 2.287 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccc(F)cc1Cl ZINC000054744265 519749027 /nfs/dbraw/zinc/74/90/27/519749027.db2.gz ZFOZWWGWWKBVFP-UHFFFAOYSA-N 0 3 283.738 2.200 10 0 CEAEHN CC(C)OCCOc1nc(CN)cc2ccccc21 ZINC000051526604 519768880 /nfs/dbraw/zinc/76/88/80/519768880.db2.gz XXGJPYWVZHLHNQ-UHFFFAOYSA-N 0 3 260.337 2.497 10 0 CEAEHN CCCC1CCN(CC[C@@H](NC(C)C)C(=O)OC)CC1 ZINC000062531173 519901467 /nfs/dbraw/zinc/90/14/67/519901467.db2.gz KWLFWKRMXWNTPH-OAHLLOKOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCNC(C)(C)C(=O)N(C)c1ccc(OC)cc1 ZINC000061299312 519903338 /nfs/dbraw/zinc/90/33/38/519903338.db2.gz FIKFCFIHLNDNQA-UHFFFAOYSA-N 0 3 250.342 2.046 10 0 CEAEHN CCNC(C)(C)C(=O)N1CCCc2cccc(OC)c21 ZINC000061296773 519904371 /nfs/dbraw/zinc/90/43/71/519904371.db2.gz CVPQPLVGFAYWBI-UHFFFAOYSA-N 0 3 276.380 2.363 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000061298796 519908124 /nfs/dbraw/zinc/90/81/24/519908124.db2.gz STAWAAXRDJUSBL-UHFFFAOYSA-N 0 3 298.408 2.478 10 0 CEAEHN CCNCc1c(Cl)cccc1N1CC[C@@H](O)C1 ZINC000061711226 519985271 /nfs/dbraw/zinc/98/52/71/519985271.db2.gz VMZFNSKPKTUOBN-SNVBAGLBSA-N 0 3 254.761 2.021 10 0 CEAEHN CCCN[C@@H](CCOc1ccc(CCC)cc1)C(N)=O ZINC000062596146 520005244 /nfs/dbraw/zinc/00/52/44/520005244.db2.gz BJRGYSLVKRUEEN-HNNXBMFYSA-N 0 3 278.396 2.262 10 0 CEAEHN CCCN[C@@H](CN1CCC(C)(CC)CC1)C(=O)OCC ZINC000062956314 520009269 /nfs/dbraw/zinc/00/92/69/520009269.db2.gz CXJYDPQCYYVRGH-AWEZNQCLSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCN[C@@H](c1cc(C)ccc1OC)[C@@H]1COCCO1 ZINC000055300889 520016764 /nfs/dbraw/zinc/01/67/64/520016764.db2.gz CFTMNIVYTOIPAF-HOTGVXAUSA-N 0 3 279.380 2.460 10 0 CEAEHN CCCN[C@@H](c1ccc(F)c(F)c1)[C@@H]1COCCO1 ZINC000055300593 520018541 /nfs/dbraw/zinc/01/85/41/520018541.db2.gz RUQLCXVNCZJWJE-KBPBESRZSA-N 0 3 271.307 2.421 10 0 CEAEHN CCNCc1oc(CN2CCOC[C@H]2CC)cc1C ZINC000052481687 520027761 /nfs/dbraw/zinc/02/77/61/520027761.db2.gz BDOLJOLFIFDJIC-CYBMUJFWSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCN[C@@](CN(C)c1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069231434 520049754 /nfs/dbraw/zinc/04/97/54/520049754.db2.gz BJLDHECHXWHUFB-QGZVFWFLSA-N 0 3 289.423 2.065 10 0 CEAEHN CCCN[C@@](COc1cc(C)ccc1C)(C(N)=O)C1CC1 ZINC000069197287 520058179 /nfs/dbraw/zinc/05/81/79/520058179.db2.gz RVVQORNJXCCLHB-QGZVFWFLSA-N 0 3 290.407 2.316 10 0 CEAEHN CCN[C@@H](CCSCc1ccccc1C)C(N)=O ZINC000062603873 520094854 /nfs/dbraw/zinc/09/48/54/520094854.db2.gz XTNVORWGBYCLAQ-ZDUSSCGKSA-N 0 3 266.410 2.082 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1cc(C)ccc1C ZINC000052885540 520100001 /nfs/dbraw/zinc/10/00/01/520100001.db2.gz ZVVIFVUGXYITDR-HNNXBMFYSA-N 0 3 275.396 2.321 10 0 CEAEHN CCN[C@@H](Cc1ccccc1OC)c1ccnn1C ZINC000069467562 520106459 /nfs/dbraw/zinc/10/64/59/520106459.db2.gz ISQBNNOIYACWAA-ZDUSSCGKSA-N 0 3 259.353 2.322 10 0 CEAEHN CCCN[C@](CN1CCC(C)CC1)(C(=O)OCC)C1CC1 ZINC000069092545 520120692 /nfs/dbraw/zinc/12/06/92/520120692.db2.gz UVAIZDVTCAGGLJ-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCN[C@@H]1COc2cc(OCC(=O)N[C@H](C)CC)ccc21 ZINC000062804933 520124780 /nfs/dbraw/zinc/12/47/80/520124780.db2.gz APJZQMAZNUKHMD-BXUZGUMPSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCCCC[C@H](C)N[C@@H]1CC(=O)N(CCC)C1=O ZINC000049200079 520130249 /nfs/dbraw/zinc/13/02/49/520130249.db2.gz JWBBEWKQZBWBAS-QWHCGFSZSA-N 0 3 268.401 2.472 10 0 CEAEHN CCN[C@@](COc1cc(C)cc(C)c1C)(C(N)=O)C1CC1 ZINC000069197889 520155720 /nfs/dbraw/zinc/15/57/20/520155720.db2.gz KWXAIPUOGCZEDK-QGZVFWFLSA-N 0 3 290.407 2.234 10 0 CEAEHN CCN[C@H](CSC)c1ccc2c(c1)OCCO2 ZINC000055229834 520201253 /nfs/dbraw/zinc/20/12/53/520201253.db2.gz VOOLPZATAYXGHM-LLVKDONJSA-N 0 3 253.367 2.471 10 0 CEAEHN CCN[C@](CSC1CCCCC1)(C(N)=O)C1CC1 ZINC000069188458 520252271 /nfs/dbraw/zinc/25/22/71/520252271.db2.gz RKXWFKKDPNSIGK-AWEZNQCLSA-N 0 3 270.442 2.296 10 0 CEAEHN CCNc1ccc(C(=O)N(C)C2CCN(CC)CC2)cn1 ZINC000050786069 520279579 /nfs/dbraw/zinc/27/95/79/520279579.db2.gz HVNQEEFIOJDTNE-UHFFFAOYSA-N 0 3 290.411 2.070 10 0 CEAEHN CCNc1ncccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000050777053 520376171 /nfs/dbraw/zinc/37/61/71/520376171.db2.gz BJRBJBKGCQKKNB-CYBMUJFWSA-N 0 3 292.427 2.220 10 0 CEAEHN CC1(C)CCN(S(=O)(=O)Cc2ccccc2CN)CC1 ZINC000061820372 520381781 /nfs/dbraw/zinc/38/17/81/520381781.db2.gz DRLJOZFLOAAKMV-UHFFFAOYSA-N 0 3 296.436 2.097 10 0 CEAEHN CCCOc1ccc([C@@H](CN)NC(=O)OCC)cc1 ZINC000052919370 520417584 /nfs/dbraw/zinc/41/75/84/520417584.db2.gz NJHIEKKJASTVNN-CYBMUJFWSA-N 0 3 266.341 2.221 10 0 CEAEHN CCCOc1cccc([C@@H](CN)NC(=O)OCC)c1 ZINC000052920807 520465539 /nfs/dbraw/zinc/46/55/39/520465539.db2.gz ARLYEQHTHMFFTN-CYBMUJFWSA-N 0 3 266.341 2.221 10 0 CEAEHN CCN(CC)C(=O)[C@@H](CN)Cc1cc2ccccc2o1 ZINC000068811093 520522689 /nfs/dbraw/zinc/52/26/89/520522689.db2.gz RAECYDHQROGRST-CYBMUJFWSA-N 0 3 274.364 2.419 10 0 CEAEHN CCN(CC)C(=O)[C@@H](CN)Cc1cccc(C)c1C ZINC000050304801 520522794 /nfs/dbraw/zinc/52/27/94/520522794.db2.gz KIEKRLYWYLXCND-OAHLLOKOSA-N 0 3 262.397 2.289 10 0 CEAEHN CCN(CC)C(=O)[C@H](CN)Cc1cc2ccccc2o1 ZINC000068811091 520535986 /nfs/dbraw/zinc/53/59/86/520535986.db2.gz RAECYDHQROGRST-ZDUSSCGKSA-N 0 3 274.364 2.419 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)CC[C@@H](C)C[C@@H]1C ZINC000068631291 520690545 /nfs/dbraw/zinc/69/05/45/520690545.db2.gz YCXAKOBQOKOBHJ-IJEWVQPXSA-N 0 3 284.444 2.286 10 0 CEAEHN CCC[C@@H](CS(=O)(=O)c1ccccc1)NCC ZINC000061702694 520709949 /nfs/dbraw/zinc/70/99/49/520709949.db2.gz BCRJXEISPDDTOA-LBPRGKRZSA-N 0 3 255.383 2.239 10 0 CEAEHN CCCCOC(=O)COc1ccc(CNCCOC)cc1 ZINC000062729187 520713819 /nfs/dbraw/zinc/71/38/19/520713819.db2.gz FQUBJMXAGQTZDA-UHFFFAOYSA-N 0 3 295.379 2.145 10 0 CEAEHN CCN(CC1CC1)[C@H](C)C(=O)Nc1ccccc1N ZINC000069237126 520967796 /nfs/dbraw/zinc/96/77/96/520967796.db2.gz HIUFPTKFWODTLM-LLVKDONJSA-N 0 3 261.369 2.328 10 0 CEAEHN CCN(CCOC)[C@H](CN)c1cc2ccccc2o1 ZINC000068811577 521137548 /nfs/dbraw/zinc/13/75/48/521137548.db2.gz MVTJLCVDRAMRTG-CYBMUJFWSA-N 0 3 262.353 2.401 10 0 CEAEHN CCC[C@H](O)[C@H](CC)N1CCN(CC(C)C)CC1 ZINC000055080869 521190996 /nfs/dbraw/zinc/19/09/96/521190996.db2.gz HCSXQONIZHWORH-GJZGRUSLSA-N 0 3 256.434 2.200 10 0 CEAEHN CCOc1ccc([C@@](O)(CN)C(F)(F)F)cc1OCC ZINC000062784461 521250605 /nfs/dbraw/zinc/25/06/05/521250605.db2.gz ZUIXIVAWPMDXMR-LBPRGKRZSA-N 0 3 293.285 2.193 10 0 CEAEHN CCC[C@](C)(CO)CN1CCN([C@H](C)CC)CC1 ZINC000055072951 521268337 /nfs/dbraw/zinc/26/83/37/521268337.db2.gz CYGQIWSNXQYPCQ-CABCVRRESA-N 0 3 256.434 2.201 10 0 CEAEHN CCOC(=O)[C@](C)(C[C@H](C)N1CCCCC1)NC1CC1 ZINC000068620340 521324153 /nfs/dbraw/zinc/32/41/53/521324153.db2.gz LZYWACPSFCCKQL-BBRMVZONSA-N 0 3 282.428 2.325 10 0 CEAEHN CCN(c1ccccc1CNCCOC)[C@@H](C)COC ZINC000062737916 521502588 /nfs/dbraw/zinc/50/25/88/521502588.db2.gz QFENBMQDUJPALD-AWEZNQCLSA-N 0 3 280.412 2.284 10 0 CEAEHN CCC(CC)N(CCO)Cc1cc(F)ccc1C(N)=S ZINC000069402963 521552416 /nfs/dbraw/zinc/55/24/16/521552416.db2.gz CHTCKSQHSRMUGE-UHFFFAOYSA-N 0 3 298.427 2.443 10 0 CEAEHN CCC(CC)N(CCOC)Cc1csc(CNC)n1 ZINC000052573252 521562715 /nfs/dbraw/zinc/56/27/15/521562715.db2.gz IQUXULNMNKLACH-UHFFFAOYSA-N 0 3 285.457 2.500 10 0 CEAEHN CCOc1ccccc1OCc1cccnc1C(=N)N ZINC000061658661 521568877 /nfs/dbraw/zinc/56/88/77/521568877.db2.gz HXMZYUVEPKEAIB-UHFFFAOYSA-N 0 3 271.320 2.343 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCn3cccc3[C@@H]2C)C1 ZINC000052593510 521619105 /nfs/dbraw/zinc/61/91/05/521619105.db2.gz IFOVKIMUKIZAFR-UONOGXRCSA-N 0 3 290.411 2.059 10 0 CEAEHN CCN1CCC[C@@H](Nc2ccc(N)c(OC(C)C)n2)C1 ZINC000049193154 521625721 /nfs/dbraw/zinc/62/57/21/521625721.db2.gz SALOPODFAHLPRN-GFCCVEGCSA-N 0 3 278.400 2.347 10 0 CEAEHN CCC1(CC)CCN(C[C@@](NC)(C(=O)OC)C2CC2)CC1 ZINC000069232557 521687956 /nfs/dbraw/zinc/68/79/56/521687956.db2.gz VTQBQEURMGCCIG-KRWDZBQOSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCN(Cc1cccnc1C(=N)N)CC(F)(F)F ZINC000061658308 521690498 /nfs/dbraw/zinc/69/04/98/521690498.db2.gz RKAHVAJCXIEXEF-UHFFFAOYSA-N 0 3 274.290 2.140 10 0 CEAEHN CCNC(=O)CCOc1cc(F)ccc1[C@@H](C)NCC ZINC000062746859 521735915 /nfs/dbraw/zinc/73/59/15/521735915.db2.gz WMTMWNJWJGSVNP-LLVKDONJSA-N 0 3 282.359 2.401 10 0 CEAEHN COc1c(C)cnc(CN2CCC[C@H]2CCCO)c1C ZINC000052762760 521808775 /nfs/dbraw/zinc/80/87/75/521808775.db2.gz XKSIESYHTGDIHZ-AWEZNQCLSA-N 0 3 278.396 2.444 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000061300758 521943353 /nfs/dbraw/zinc/94/33/53/521943353.db2.gz VDSBTJPRFSBEPF-UHFFFAOYSA-N 0 3 277.368 2.218 10 0 CEAEHN COCC[C@H](N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000052792460 521944572 /nfs/dbraw/zinc/94/45/72/521944572.db2.gz ANXYWQANNWJPLK-WBMJQRKESA-N 0 3 290.407 2.106 10 0 CEAEHN COC(=O)c1ccc(CN[C@@H](C)[C@@H]2CCCO2)cc1F ZINC000183156588 522033544 /nfs/dbraw/zinc/03/35/44/522033544.db2.gz JBKMFSLFLWIWJU-HZMBPMFUSA-N 0 3 281.327 2.269 10 0 CEAEHN CC[C@@H](C)N1CCN([C@H](CN)c2cccs2)CC1 ZINC000055063844 522130488 /nfs/dbraw/zinc/13/04/88/522130488.db2.gz WPEGHSZIVUIXQY-CHWSQXEVSA-N 0 3 267.442 2.164 10 0 CEAEHN CNCc1ccoc1Cn1cc(Br)cn1 ZINC000052577428 522141935 /nfs/dbraw/zinc/14/19/35/522141935.db2.gz NHWVOFUQBHJXRB-UHFFFAOYSA-N 0 3 270.130 2.006 10 0 CEAEHN CNCc1oc2ccccc2c1CN1CCO[C@@H](C)C1 ZINC000052382403 522160827 /nfs/dbraw/zinc/16/08/27/522160827.db2.gz CKHFNOYCRCCBNM-LBPRGKRZSA-N 0 3 274.364 2.373 10 0 CEAEHN CN[C@@H](Cn1ncccc1=O)c1cccc2ccccc21 ZINC000061402604 522364353 /nfs/dbraw/zinc/36/43/53/522364353.db2.gz OHDVOMGKYZENJB-INIZCTEOSA-N 0 3 279.343 2.357 10 0 CEAEHN CN[C@@H](c1cc2c(cc1F)NC(=O)CC2)C1CCOCC1 ZINC000061671766 522367731 /nfs/dbraw/zinc/36/77/31/522367731.db2.gz IEMVEFDYVNOJRI-MRXNPFEDSA-N 0 3 292.354 2.398 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000052395617 522438370 /nfs/dbraw/zinc/43/83/70/522438370.db2.gz BLCNBGMWQSCQHG-RKDXNWHRSA-N 0 3 285.185 2.234 10 0 CEAEHN CN[C@H](C)c1cnc(N2CCN(CC(C)C)CC2)s1 ZINC000055076362 522454758 /nfs/dbraw/zinc/45/47/58/522454758.db2.gz HORLLSIXTVKUEQ-GFCCVEGCSA-N 0 3 282.457 2.202 10 0 CEAEHN CN[C@H](CCSc1ccc2ccccc2c1)C(N)=O ZINC000062600582 522464714 /nfs/dbraw/zinc/46/47/14/522464714.db2.gz BYARXWGYQCUARH-CQSZACIVSA-N 0 3 274.389 2.395 10 0 CEAEHN CN[C@H](c1ccc(OC)cc1Cl)[C@@H]1COCCO1 ZINC000055300795 522483003 /nfs/dbraw/zinc/48/30/03/522483003.db2.gz WIHOLQGGVOPUFU-QWHCGFSZSA-N 0 3 271.744 2.025 10 0 CEAEHN CN[C@](COc1cccc(C(C)(C)C)c1)(C(N)=O)C1CC1 ZINC000069198008 522530870 /nfs/dbraw/zinc/53/08/70/522530870.db2.gz SOTRPCMUOFCWJH-KRWDZBQOSA-N 0 3 290.407 2.216 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N[C@@H](C)CN1CCCC1 ZINC000053004847 522604720 /nfs/dbraw/zinc/60/47/20/522604720.db2.gz REDVIRVOVOZYBA-ZDUSSCGKSA-N 0 3 275.396 2.251 10 0 CEAEHN CNc1ccc(Cl)cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000050777556 522625906 /nfs/dbraw/zinc/62/59/06/522625906.db2.gz WKRVVIQKYKOEKX-LLVKDONJSA-N 0 3 295.814 2.453 10 0 CEAEHN CNc1ccc(Cl)cc1C(=O)NC[C@H](C)N(C)C ZINC000050780026 522626983 /nfs/dbraw/zinc/62/69/83/522626983.db2.gz LKUIVSHWMHYCLI-VIFPVBQESA-N 0 3 269.776 2.062 10 0 CEAEHN CC[C@H](N[C@@H](C)c1cccc(Br)c1)C(N)=O ZINC000061676812 522698711 /nfs/dbraw/zinc/69/87/11/522698711.db2.gz LIEPTAIIHDREQJ-KWQFWETISA-N 0 3 285.185 2.364 10 0 CEAEHN CNc1ncccc1CN(CCOC)[C@@H](C)C1CC1 ZINC000052728507 522709781 /nfs/dbraw/zinc/70/97/81/522709781.db2.gz YWWNKDPZJBYZSU-LBPRGKRZSA-N 0 3 263.385 2.370 10 0 CEAEHN COc1cc(OC)c(CN[C@H]2C[C@@H]2C)c(OC)c1 ZINC000052272849 522796877 /nfs/dbraw/zinc/79/68/77/522796877.db2.gz JREGPJPZLPAAHZ-CABZTGNLSA-N 0 3 251.326 2.210 10 0 CEAEHN COC(=O)CCN(C)CCOc1cc(C)cc(C)c1 ZINC000049538386 523059334 /nfs/dbraw/zinc/05/93/34/523059334.db2.gz KUKSFZCEIPNRRR-UHFFFAOYSA-N 0 3 265.353 2.177 10 0 CEAEHN CCn1cc(C[C@H](NC)c2ccccc2OC)cn1 ZINC000050542249 523395615 /nfs/dbraw/zinc/39/56/15/523395615.db2.gz ARGFZDBDYNSAOC-AWEZNQCLSA-N 0 3 259.353 2.415 10 0 CEAEHN CN(Cc1cccnc1C(=N)N)c1ccc(F)cc1 ZINC000061658334 523420995 /nfs/dbraw/zinc/42/09/95/523420995.db2.gz USPIPHXOEPJGQO-UHFFFAOYSA-N 0 3 258.300 2.141 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1[C@@H](CN)c1ccc(F)c(F)c1 ZINC000048914581 523508188 /nfs/dbraw/zinc/50/81/88/523508188.db2.gz XCHGABLLVMXETP-NVBFEUDRSA-N 0 3 284.350 2.464 10 0 CEAEHN CN(Cc1cnn(C)c1)[C@@H](CN)c1ccc(Cl)cc1 ZINC000048971905 523516623 /nfs/dbraw/zinc/51/66/23/523516623.db2.gz AZTMLZOKYRCIRD-AWEZNQCLSA-N 0 3 278.787 2.205 10 0 CEAEHN CN(Cc1occc1CNC1CC1)C[C@H]1CCCO1 ZINC000052540874 523617337 /nfs/dbraw/zinc/61/73/37/523617337.db2.gz VMBGASIFETVIRT-CQSZACIVSA-N 0 3 264.369 2.142 10 0 CEAEHN COCCN(C)CCn1c2ccc(N)cc2nc1C(C)C ZINC000061380860 523619609 /nfs/dbraw/zinc/61/96/09/523619609.db2.gz UWDIANLIBZMRCQ-UHFFFAOYSA-N 0 3 290.411 2.320 10 0 CEAEHN CCc1c(-c2ccccc2)[nH]nc1N1CCNCC1 ZINC000062670006 523676151 /nfs/dbraw/zinc/67/61/51/523676151.db2.gz RLFDINJKMGFEEH-UHFFFAOYSA-N 0 3 256.353 2.049 10 0 CEAEHN CN1C(=O)CCC[C@@H](N)[C@@H]1c1cccc(Cl)c1 ZINC000070292052 523682339 /nfs/dbraw/zinc/68/23/39/523682339.db2.gz YWMTYBHKCXZNQY-YPMHNXCESA-N 0 3 252.745 2.351 10 0 CEAEHN COCCN(Cc1cc(CNC(C)C)no1)CC(C)C ZINC000052508561 523740562 /nfs/dbraw/zinc/74/05/62/523740562.db2.gz MVMFCIOSESPHGQ-UHFFFAOYSA-N 0 3 283.416 2.277 10 0 CEAEHN COc1ccc(C(=O)[C@H](C)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061645622 523778869 /nfs/dbraw/zinc/77/88/69/523778869.db2.gz RGRCYULNMGUIKF-DZGCQCFKSA-N 0 3 290.407 2.292 10 0 CEAEHN CN1CCCC[C@@H]1CNc1nc(Cl)nc(Cl)n1 ZINC000061518974 523796475 /nfs/dbraw/zinc/79/64/75/523796475.db2.gz UYBQRBGTNOXBCY-SSDOTTSWSA-N 0 3 276.171 2.075 10 0 CEAEHN COC(=O)[C@@](CN1CCCC(C)(C)C1)(NC1CC1)C1CC1 ZINC000069516941 523824046 /nfs/dbraw/zinc/82/40/46/523824046.db2.gz FBLQSUVORNOBRK-KRWDZBQOSA-N 0 3 294.439 2.182 10 0 CEAEHN CN1CCC[C@H](CNC(=O)c2cccc3c2NCCC3)C1 ZINC000050958104 523839461 /nfs/dbraw/zinc/83/94/61/523839461.db2.gz SMUGATQJOOJNQG-CYBMUJFWSA-N 0 3 287.407 2.116 10 0 CEAEHN COc1ccc(C)cc1[C@@]([O-])([C@@H](C)[NH3+])C(F)(F)F ZINC000062784625 523854841 /nfs/dbraw/zinc/85/48/41/523854841.db2.gz TWZZUEYCMASYCK-KCJUWKMLSA-N 0 3 263.259 2.101 10 0 CEAEHN CCc1ccc(C(=O)N2[C@H](C)CNC[C@@H]2C)s1 ZINC000069133138 523888972 /nfs/dbraw/zinc/88/89/72/523888972.db2.gz UGDAJJJPQFFDKB-AOOOYVTPSA-N 0 3 252.383 2.133 10 0 CEAEHN CC[C@H](C)N(CC)Cc1cccnc1C(N)=S ZINC000061659711 523936537 /nfs/dbraw/zinc/93/65/37/523936537.db2.gz STUGFKMLNLOLAA-JTQLQIEISA-N 0 3 251.399 2.336 10 0 CEAEHN COCCNC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000055030661 523943349 /nfs/dbraw/zinc/94/33/49/523943349.db2.gz VQLAAEYJTXEBRW-NSHDSACASA-N 0 3 264.152 2.263 10 0 CEAEHN COCCNCc1c(C)nc(Cc2ccccc2)nc1C ZINC000054854558 523946170 /nfs/dbraw/zinc/94/61/70/523946170.db2.gz KKWUGGSIFCPOBG-UHFFFAOYSA-N 0 3 285.391 2.420 10 0 CEAEHN COCCNCc1cc(C)c(OCC(C)(C)O)c(C)c1 ZINC000062728663 523948210 /nfs/dbraw/zinc/94/82/10/523948210.db2.gz YJTWSUIFYSZNEX-UHFFFAOYSA-N 0 3 281.396 2.189 10 0 CEAEHN COCCNCc1cc(F)ccc1N(C)C1CCOCC1 ZINC000062736282 523950229 /nfs/dbraw/zinc/95/02/29/523950229.db2.gz DVXZYFLQHLFBLK-UHFFFAOYSA-N 0 3 296.386 2.177 10 0 CEAEHN COCCNCc1ccc(OC)c(OCC(F)F)c1 ZINC000062732585 523951835 /nfs/dbraw/zinc/95/18/35/523951835.db2.gz QBRCWXPUPYWEHS-UHFFFAOYSA-N 0 3 275.295 2.075 10 0 CEAEHN CC[C@H](C)N1CCN(C[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000055073119 523954333 /nfs/dbraw/zinc/95/43/33/523954333.db2.gz PDLLACUNWDWSST-JYJNAYRXSA-N 0 3 268.445 2.344 10 0 CEAEHN COCCNCc1cccc(OCc2cc(C)no2)c1 ZINC000062731695 523954461 /nfs/dbraw/zinc/95/44/61/523954461.db2.gz RIYSLNPMKVIZJK-UHFFFAOYSA-N 0 3 276.336 2.298 10 0 CEAEHN CC[C@H](C)N1CCN(c2nc(C)c([C@H](C)N)s2)CC1 ZINC000055076292 523962193 /nfs/dbraw/zinc/96/21/93/523962193.db2.gz MBDSPEZIRRLFMA-QWRGUYRKSA-N 0 3 282.457 2.392 10 0 CEAEHN CN1CC[C@@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052906081 523969863 /nfs/dbraw/zinc/96/98/63/523969863.db2.gz YGOCOUIWKHUYSX-MRVPVSSYSA-N 0 3 269.801 2.090 10 0 CEAEHN CO[C@H]1CCC[C@H]1NCC(=O)Nc1cccc(C)c1 ZINC000050373580 523987366 /nfs/dbraw/zinc/98/73/66/523987366.db2.gz AVQDYWVAYAHTNV-KGLIPLIRSA-N 0 3 262.353 2.091 10 0 CEAEHN CN1CC[C@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052906079 523989475 /nfs/dbraw/zinc/98/94/75/523989475.db2.gz YGOCOUIWKHUYSX-QMMMGPOBSA-N 0 3 269.801 2.090 10 0 CEAEHN CN1CC[C@H](Nc2nnc(Cl)c3ccccc32)C1 ZINC000050529820 523991039 /nfs/dbraw/zinc/99/10/39/523991039.db2.gz VONUPYIVGQZHEC-VIFPVBQESA-N 0 3 262.744 2.399 10 0 CEAEHN C[C@@H]1CCCCN1Cc1nc(NN)ccc1Cl ZINC000061638911 524115821 /nfs/dbraw/zinc/11/58/21/524115821.db2.gz DEHIJEKKAWFOEB-SECBINFHSA-N 0 3 254.765 2.395 10 0 CEAEHN Cc1ccc(C)c(OC[C@](NC2CC2)(C(N)=O)C2CC2)c1 ZINC000069197290 524181222 /nfs/dbraw/zinc/18/12/22/524181222.db2.gz MPEXTIGYZUIDFM-QGZVFWFLSA-N 0 3 288.391 2.068 10 0 CEAEHN COc1ccc(N(C)C(=O)[C@H](CN)c2ccccc2)cc1 ZINC000061613232 524345094 /nfs/dbraw/zinc/34/50/94/524345094.db2.gz FMYKDNSBKQQYBH-MRXNPFEDSA-N 0 3 284.359 2.401 10 0 CEAEHN Cc1cc(C)cc(O[C@@H](C)C[C@](C)(NC2CC2)C(N)=O)c1 ZINC000068656129 524455026 /nfs/dbraw/zinc/45/50/26/524455026.db2.gz BPVYTFSKPWEWNY-GUYCJALGSA-N 0 3 290.407 2.457 10 0 CEAEHN C[C@@H](CN1CCCCC1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601269 524601845 /nfs/dbraw/zinc/60/18/45/524601845.db2.gz DPLCBEYMECJHKW-SOUVJXGZSA-N 0 3 264.413 2.447 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc2c[nH]nc2c1 ZINC000061670563 524605749 /nfs/dbraw/zinc/60/57/49/524605749.db2.gz CKVXEDAGIBTWGG-LBPRGKRZSA-N 0 3 286.379 2.167 10 0 CEAEHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183127768 524605881 /nfs/dbraw/zinc/60/58/81/524605881.db2.gz MDNWLBKXSWGLLA-HUBLWGQQSA-N 0 3 292.379 2.179 10 0 CEAEHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(Cl)cc1N ZINC000050443137 524645442 /nfs/dbraw/zinc/64/54/42/524645442.db2.gz ARFOSESMCWBTEG-KOLCDFICSA-N 0 3 281.787 2.008 10 0 CEAEHN C[C@H](C[C@](C)(N)C(N)=O)Oc1ccc(C(C)(C)C)cc1 ZINC000068655787 524654539 /nfs/dbraw/zinc/65/45/39/524654539.db2.gz DFWIFHUFDOUBMW-BZNIZROVSA-N 0 3 278.396 2.344 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cc3ccccc3o2)CCO1 ZINC000068810711 524663650 /nfs/dbraw/zinc/66/36/50/524663650.db2.gz JKMQXKCMOQRTQF-AAEUAGOBSA-N 0 3 260.337 2.153 10 0 CEAEHN C[C@H]1CN(c2ccc(Br)cn2)C[C@H](C)N1 ZINC000053711562 524667051 /nfs/dbraw/zinc/66/70/51/524667051.db2.gz FMDMPZRDXOVKKG-IUCAKERBSA-N 0 3 270.174 2.031 10 0 CEAEHN Cc1cc(CN2CCO[C@H](C)C2)oc1CNC(C)C ZINC000052382808 524701074 /nfs/dbraw/zinc/70/10/74/524701074.db2.gz ZYOFSMRVUMDUPP-CYBMUJFWSA-N 0 3 266.385 2.307 10 0 CEAEHN C[C@@H](C[C@@](C)(N)C(N)=O)Oc1cccc(C(C)(C)C)c1 ZINC000068657527 524850971 /nfs/dbraw/zinc/85/09/71/524850971.db2.gz RMABWROKANZSQE-MEDUHNTESA-N 0 3 278.396 2.344 10 0 CEAEHN C[C@H]([NH3+])[C@]([O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000062784279 524861550 /nfs/dbraw/zinc/86/15/50/524861550.db2.gz DHYLKIXTXIXYLN-CDUCUWFYSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@H]([NH3+])[C@]([O-])(c1ccccc1Cl)C(F)(F)F ZINC000062784755 524861799 /nfs/dbraw/zinc/86/17/99/524861799.db2.gz IUIMTKDSDKFNOE-RCOVLWMOSA-N 0 3 253.651 2.437 10 0 CEAEHN Cc1ccc(N2CCC[C@H](N)C2=O)cc1Br ZINC000070062509 524957984 /nfs/dbraw/zinc/95/79/84/524957984.db2.gz NAMBPARHROZEHS-NSHDSACASA-N 0 3 283.169 2.212 10 0 CEAEHN COc1ccc(OC)c([C@H](N)COC2CCC2)c1 ZINC000050520241 524907605 /nfs/dbraw/zinc/90/76/05/524907605.db2.gz BCGMTYRJLOVJQX-CYBMUJFWSA-N 0 3 251.326 2.273 10 0 CEAEHN C[C@@H]1CN(Cc2c(CN)oc3ccccc32)CCO1 ZINC000052382411 524981728 /nfs/dbraw/zinc/98/17/28/524981728.db2.gz KDSXCMXBWDDKTM-LLVKDONJSA-N 0 3 260.337 2.112 10 0 CEAEHN COc1ccc(O[C@@H](C)C[C@](C)(NC(C)C)C(N)=O)cc1 ZINC000068656838 524984164 /nfs/dbraw/zinc/98/41/64/524984164.db2.gz JZQZGVMBSXTVAO-LRDDRELGSA-N 0 3 294.395 2.095 10 0 CEAEHN C[C@@H]1CN(Cc2ccoc2CNC2CC2)C[C@H](C)O1 ZINC000052380451 525023883 /nfs/dbraw/zinc/02/38/83/525023883.db2.gz QYLCBSZDBYFHPO-TXEJJXNPSA-N 0 3 264.369 2.141 10 0 CEAEHN C[C@@H](N)c1cnc(N(C)CCc2ccncc2)s1 ZINC000054896172 525032902 /nfs/dbraw/zinc/03/29/02/525032902.db2.gz WGSFVYOLOUINJY-SNVBAGLBSA-N 0 3 262.382 2.237 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1nccc2ccccc21 ZINC000069132928 525096848 /nfs/dbraw/zinc/09/68/48/525096848.db2.gz DJSFWFBKRGQVSA-VXGBXAGGSA-N 0 3 269.348 2.057 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccccc1OC(F)F ZINC000069132571 525097793 /nfs/dbraw/zinc/09/77/93/525097793.db2.gz UHZCQLLOMBDWFX-NXEZZACHSA-N 0 3 284.306 2.110 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cccc2ncccc21 ZINC000069133126 525100631 /nfs/dbraw/zinc/10/06/31/525100631.db2.gz ORPQJPOIRKWKEV-TXEJJXNPSA-N 0 3 269.348 2.057 10 0 CEAEHN COc1ccc([C@@H](N)Cc2cccnc2)c(OC)c1 ZINC000055232981 525190782 /nfs/dbraw/zinc/19/07/82/525190782.db2.gz IJZSIVZTWLSOQZ-AWEZNQCLSA-N 0 3 258.321 2.341 10 0 CEAEHN Cc1cc(OCC[C@](C)(N)C(N)=O)ccc1C(C)C ZINC000045514126 525372426 /nfs/dbraw/zinc/37/24/26/525372426.db2.gz FWUJIWOLJWQRDT-HNNXBMFYSA-N 0 3 264.369 2.090 10 0 CEAEHN C[C@H](NCc1ccc[nH]1)c1ccc(NC(N)=O)cc1 ZINC000051789128 525452376 /nfs/dbraw/zinc/45/23/76/525452376.db2.gz AKZVEVPOAKAKOY-JTQLQIEISA-N 0 3 258.325 2.356 10 0 CEAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000052270425 525587607 /nfs/dbraw/zinc/58/76/07/525587607.db2.gz VTTRMAHTHNRHDU-GBIKHYSHSA-N 0 3 253.367 2.149 10 0 CEAEHN Cc1ccc(SCC[C@H](NC2CC2)C(N)=O)cc1 ZINC000062598281 525659041 /nfs/dbraw/zinc/65/90/41/525659041.db2.gz SMVVHZUPFWMUMM-ZDUSSCGKSA-N 0 3 264.394 2.083 10 0 CEAEHN Cc1ccc(SCC[C@@H](NC2CC2)C(N)=O)cc1C ZINC000062599747 525660214 /nfs/dbraw/zinc/66/02/14/525660214.db2.gz CRCRPONIKXVVRR-CQSZACIVSA-N 0 3 278.421 2.392 10 0 CEAEHN Cc1ccnc(NC(=O)[C@H](CN)c2ccccc2)c1 ZINC000061611023 525688925 /nfs/dbraw/zinc/68/89/25/525688925.db2.gz RRGWFKRSJDSLHB-CYBMUJFWSA-N 0 3 255.321 2.071 10 0 CEAEHN COc1cccc(CNC(=O)c2ccc3c(c2)CNC3)c1 ZINC000156698217 526007598 /nfs/dbraw/zinc/00/75/98/526007598.db2.gz VIKAXCRRAQJYDJ-UHFFFAOYSA-N 0 3 282.343 2.228 10 0 CEAEHN Cc1nnc(SCc2nc(NN)ccc2Cl)s1 ZINC000061640185 526387549 /nfs/dbraw/zinc/38/75/49/526387549.db2.gz NCBSOXQMQUWNNB-UHFFFAOYSA-N 0 3 287.801 2.473 10 0 CEAEHN Cc1nc(C[C@H]2CCCO2)sc1CNC1CC1 ZINC000052330864 526922837 /nfs/dbraw/zinc/92/28/37/526922837.db2.gz WIMVCHZVUSLYEH-LLVKDONJSA-N 0 3 252.383 2.425 10 0 CEAEHN Cc1nc(Cc2ncc3c(n2)CCC[C@H]3N)cs1 ZINC000055296588 526929189 /nfs/dbraw/zinc/92/91/89/526929189.db2.gz AJONPJDMKVKCKH-LLVKDONJSA-N 0 3 260.366 2.168 10 0 CEAEHN Cc1nc(N2CCCCC2)nc(C)c1CNC1CC1 ZINC000054854409 526964415 /nfs/dbraw/zinc/96/44/15/526964415.db2.gz AAERUBUGANLMDP-UHFFFAOYSA-N 0 3 260.385 2.336 10 0 CEAEHN Cc1nc[nH]c1CNCCn1c(C)nc2ccccc21 ZINC000054794316 527170349 /nfs/dbraw/zinc/17/03/49/527170349.db2.gz IACTVOUWWOVMKE-UHFFFAOYSA-N 0 3 269.352 2.166 10 0 CEAEHN NC[C@@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)c1ccccc1 ZINC000061612154 527199881 /nfs/dbraw/zinc/19/98/81/527199881.db2.gz ZQZYEEQHCLVXFE-ZBFHGGJFSA-N 0 3 283.375 2.421 10 0 CEAEHN NC[C@H](c1cccc2cccnc21)N1CCSCC1 ZINC000069502292 527230222 /nfs/dbraw/zinc/23/02/22/527230222.db2.gz SLWSPRGOSPXDKO-CQSZACIVSA-N 0 3 273.405 2.283 10 0 CEAEHN NCc1ccc(CN2CCN(Cc3ccccc3)CC2)o1 ZINC000052417114 527253047 /nfs/dbraw/zinc/25/30/47/527253047.db2.gz RCNDOSBEXYSXDC-UHFFFAOYSA-N 0 3 285.391 2.056 10 0 CEAEHN NCc1ccc(Cl)cc1N1CCCC[C@H]1CO ZINC000062786880 527253899 /nfs/dbraw/zinc/25/38/99/527253899.db2.gz GLHFVDUMRZXGAC-LBPRGKRZSA-N 0 3 254.761 2.150 10 0 CEAEHN NCc1ccc(NC(=O)c2ccc(F)cc2F)nc1 ZINC000051952585 527256068 /nfs/dbraw/zinc/25/60/68/527256068.db2.gz GGKWTBLVLISVGQ-UHFFFAOYSA-N 0 3 263.247 2.071 10 0 CEAEHN NCc1cnc(Cc2ccc(F)cc2Cl)nc1 ZINC000062609208 527262058 /nfs/dbraw/zinc/26/20/58/527262058.db2.gz RXTZOBZSURFFPA-UHFFFAOYSA-N 0 3 251.692 2.319 10 0 CEAEHN NCc1ncccc1CN1CCC[C@@H]1c1cccnc1 ZINC000061656601 527266092 /nfs/dbraw/zinc/26/60/92/527266092.db2.gz IBJRCDIMFDTGOZ-MRXNPFEDSA-N 0 3 268.364 2.272 10 0 CEAEHN NNc1cc(C(=O)Nc2cccc(Cl)c2)ccn1 ZINC000051096294 527272338 /nfs/dbraw/zinc/27/23/38/527272338.db2.gz STSNCXSOARQFDS-UHFFFAOYSA-N 0 3 262.700 2.273 10 0 CEAEHN NN=c1cc(C(=O)Nc2cccc(Cl)c2)cc[nH]1 ZINC000051096294 527272345 /nfs/dbraw/zinc/27/23/45/527272345.db2.gz STSNCXSOARQFDS-UHFFFAOYSA-N 0 3 262.700 2.273 10 0 CEAEHN N[C@@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702606 527343112 /nfs/dbraw/zinc/34/31/12/527343112.db2.gz CYPZWKGDOHMZSH-CHWSQXEVSA-N 0 3 253.367 2.120 10 0 CEAEHN N[C@@H]1CCCc2nc(N3CCO[C@@H]4CCC[C@@H]43)sc21 ZINC000054896891 527362972 /nfs/dbraw/zinc/36/29/72/527362972.db2.gz VFGQIUKFYUYNLO-ADEWGFFLSA-N 0 3 279.409 2.237 10 0 CEAEHN N[C@@H]1COc2cc(OCc3nccn3C(F)F)ccc21 ZINC000062803578 527376033 /nfs/dbraw/zinc/37/60/33/527376033.db2.gz MVNPPYBCYKRJFW-SNVBAGLBSA-N 0 3 281.262 2.249 10 0 CEAEHN N[C@H](CNC(=O)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000062837749 527387429 /nfs/dbraw/zinc/38/74/29/527387429.db2.gz LYJLGMYSIFYXDM-OAHLLOKOSA-N 0 3 282.343 2.051 10 0 CEAEHN N[C@H](c1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000054502406 527393026 /nfs/dbraw/zinc/39/30/26/527393026.db2.gz JZRMFONXVGOCRM-VIFPVBQESA-N 0 3 256.231 2.158 10 0 CEAEHN N[C@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)CCO2 ZINC000054681997 527393219 /nfs/dbraw/zinc/39/32/19/527393219.db2.gz MVPKUYUFMCYWBS-CVEARBPZSA-N 0 3 255.317 2.355 10 0 CEAEHN Nc1ccc(F)cc1CN1CCC[C@H]1CCCO ZINC000052756954 527489386 /nfs/dbraw/zinc/48/93/86/527489386.db2.gz VBLBUZXNMKGJCE-ZDUSSCGKSA-N 0 3 252.333 2.145 10 0 CEAEHN FC(F)(F)CO[C@H]1CCC[C@@H](NCc2c[nH]cn2)C1 ZINC000054764941 527671555 /nfs/dbraw/zinc/67/15/55/527671555.db2.gz AFBXCLDYERVFBH-KOLCDFICSA-N 0 3 277.290 2.389 10 0 CEAEHN Cc1nn(C)c(N2C[C@H](C)O[C@@H](C)C2)c1CNCC(C)C ZINC000062734262 527676401 /nfs/dbraw/zinc/67/64/01/527676401.db2.gz CLZKAMWOHBKEGK-STQMWFEESA-N 0 3 294.443 2.088 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCc1ccoc1 ZINC000177618852 528498738 /nfs/dbraw/zinc/49/87/38/528498738.db2.gz FAVLXRUPXTUTGF-CQSZACIVSA-N 0 3 266.385 2.305 10 0 CEAEHN CCC(N)(CC)C(=O)N1CCN(c2ccccc2C)CC1 ZINC000094245228 535182578 /nfs/dbraw/zinc/18/25/78/535182578.db2.gz GSELPXBVPGOTLZ-UHFFFAOYSA-N 0 3 289.423 2.161 10 0 CEAEHN CN[C@H](C)c1cc(F)c(C)cc1N1CCn2cnnc2C1 ZINC000094766853 536406672 /nfs/dbraw/zinc/40/66/72/536406672.db2.gz TUANMAVRWJGOQG-LLVKDONJSA-N 0 3 289.358 2.026 10 0 CEAEHN COc1cc(CN(C)C[C@@H](O)COC(C)(C)C)ccc1O ZINC000086168154 536747993 /nfs/dbraw/zinc/74/79/93/536747993.db2.gz AKWHBQDWJYWLFO-CYBMUJFWSA-N 0 3 297.395 2.009 10 0 CEAEHN CCCN(CCC)S(=O)(=O)C[C@H](N)CC(C)(C)C ZINC000757151904 574510861 /nfs/dbraw/zinc/51/08/61/574510861.db2.gz PAVJEEYGUXKXRA-GFCCVEGCSA-N 0 3 278.462 2.202 10 0 CEAEHN COCCCN(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757135287 574826569 /nfs/dbraw/zinc/82/65/69/574826569.db2.gz SPUCEAKVSBFCEZ-UHFFFAOYSA-N 0 3 295.383 2.318 10 0 CEAEHN C[C@@H](N1CCC[C@]12CN1CCC2CC1)C(F)(F)F ZINC000757129586 574826057 /nfs/dbraw/zinc/82/60/57/574826057.db2.gz LVRYKXMKZVVWEK-ZYHUDNBSSA-N 0 3 262.319 2.497 10 0 CEAEHN O[C@H](CN[C@@H]1COc2ccccc21)CC(F)(F)F ZINC000307951755 623468926 /nfs/dbraw/zinc/46/89/26/623468926.db2.gz VDVHLSSVLAALRI-WCBMZHEXSA-N 0 3 261.243 2.023 10 0 CEAEHN N[C@@H](CC1CC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000311817060 627701501 /nfs/dbraw/zinc/70/15/01/627701501.db2.gz JJANJDZGALBCMU-GJZGRUSLSA-N 0 3 258.365 2.308 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2cccnc2Cl)C1 ZINC000049210934 629853595 /nfs/dbraw/zinc/85/35/95/629853595.db2.gz XPJVKTLRVNHDCW-SNVBAGLBSA-N 0 3 282.775 2.341 10 0 CEAEHN C[C@@H]1CN(C[C@@](C)(O)c2ccccc2)CC(C)(C)O1 ZINC000226150564 639525394 /nfs/dbraw/zinc/52/53/94/639525394.db2.gz ZBHQYEMYRHILBR-CZUORRHYSA-N 0 3 263.381 2.393 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000226354465 639538635 /nfs/dbraw/zinc/53/86/35/639538635.db2.gz XETIEHTZMOZPRD-GMSGAONNSA-N 0 3 255.749 2.355 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 ZINC000154325937 640865473 /nfs/dbraw/zinc/86/54/73/640865473.db2.gz PUIDORVQANVJIO-TVQRCGJNSA-N 0 3 287.367 2.092 10 0 CEAEHN CCOCCN1CCN(C/C=C/Cl)C[C@@H]1CC ZINC000105915056 640974189 /nfs/dbraw/zinc/97/41/89/640974189.db2.gz QNHKQSIBWQIHLH-GFUIURDCSA-N 0 3 260.809 2.172 10 0 CEAEHN c1cnc2cc(-c3noc([C@@H]4CCCN4)n3)ccc2n1 ZINC000070432498 641664491 /nfs/dbraw/zinc/66/44/91/641664491.db2.gz ADVMBHGFAMNCRO-NSHDSACASA-N 0 3 267.292 2.104 10 0 CEAEHN COC[C@H](C)C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183190167 641718044 /nfs/dbraw/zinc/71/80/44/641718044.db2.gz JYVRPFZBCKLWEG-HOCLYGCPSA-N 0 3 291.391 2.477 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1ccc(SC)cc1 ZINC000083393704 642066494 /nfs/dbraw/zinc/06/64/94/642066494.db2.gz CKHGNFCZYQRXJV-GFCCVEGCSA-N 0 3 252.383 2.152 10 0 CEAEHN C[C@@H](NCC[S@@](C)=O)c1cccc(Br)c1 ZINC000128674819 651536010 /nfs/dbraw/zinc/53/60/10/651536010.db2.gz LAQRFZNSFDMOMQ-PSLIRLAXSA-N 0 3 290.226 2.478 10 0 CEAEHN NCc1cc(I)ccc1OC1CC1 ZINC000095737921 185024287 /nfs/dbraw/zinc/02/42/87/185024287.db2.gz DCTZQWTVYPQKIG-UHFFFAOYSA-N 0 3 289.116 2.291 10 0 CEAEHN CN(C)CCN(C)c1cc(Br)ccc1C=O ZINC000082542205 178088966 /nfs/dbraw/zinc/08/89/66/178088966.db2.gz GAXGTPSEUYHJBO-UHFFFAOYSA-N 0 3 285.185 2.259 10 0 CEAEHN CN1CCCN(C(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000336274698 365543029 /nfs/dbraw/zinc/54/30/29/365543029.db2.gz JRIGGIJSHZYYAV-ZDUSSCGKSA-N 0 3 265.401 2.056 10 0 CEAEHN O=[S@@](CCNC1CC1)c1ccc(Br)cc1 ZINC000082747094 178269228 /nfs/dbraw/zinc/26/92/28/178269228.db2.gz YRQFUWAFVSTBLG-OAHLLOKOSA-N 0 3 288.210 2.309 10 0 CEAEHN COCCN1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076056 185089252 /nfs/dbraw/zinc/08/92/52/185089252.db2.gz AGIAZTUWNSBWFH-MRXNPFEDSA-N 0 3 278.371 2.122 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833462 362003590 /nfs/dbraw/zinc/00/35/90/362003590.db2.gz NQNADFVNOYBKNF-LBPRGKRZSA-N 0 3 275.356 2.078 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833454 362003894 /nfs/dbraw/zinc/00/38/94/362003894.db2.gz FRVXRQAPNQRUGS-GXFFZTMASA-N 0 3 289.383 2.324 10 0 CEAEHN Cn1ncnc1CNC1CCC(C(F)(F)F)CC1 ZINC000123370501 539176155 /nfs/dbraw/zinc/17/61/55/539176155.db2.gz BKZKQLOPRBWNPM-UHFFFAOYSA-N 0 3 262.279 2.026 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1ccccc1OC(F)(F)F ZINC000040855960 362006864 /nfs/dbraw/zinc/00/68/64/362006864.db2.gz PORNBZSSBUYUJP-JTQLQIEISA-N 0 3 290.285 2.329 10 0 CEAEHN Cc1nc(C)c(CN2C[C@@H]3CCCCN3C[C@@H]2C)o1 ZINC000311863335 539286751 /nfs/dbraw/zinc/28/67/51/539286751.db2.gz SHIORJJYCXYFSW-FZMZJTMJSA-N 0 3 263.385 2.350 10 0 CEAEHN COC[C@H](N[C@H](C)CC[S@](C)=O)c1ccccc1 ZINC000287635093 293164148 /nfs/dbraw/zinc/16/41/48/293164148.db2.gz KOKXJQHOQDZUBE-IAISJRAMSA-N 0 3 269.410 2.121 10 0 CEAEHN CN(C)CCNC(=O)c1nccc2c3ccccc3[nH]c21 ZINC000005957811 343355365 /nfs/dbraw/zinc/35/53/65/343355365.db2.gz UPKWSTRUHQQXIU-UHFFFAOYSA-N 0 3 282.347 2.008 10 0 CEAEHN C[C@H](NCCN[C@@H](C)c1ccncc1)c1ccncc1 ZINC000022035251 343378545 /nfs/dbraw/zinc/37/85/45/343378545.db2.gz BFOGSPSCGNNNHA-KBPBESRZSA-N 0 3 270.380 2.478 10 0 CEAEHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1cc(F)ccc1F ZINC000037007631 343424955 /nfs/dbraw/zinc/42/49/55/343424955.db2.gz XVTNCKBLUXLPMI-ZANVPECISA-N 0 3 268.307 2.284 10 0 CEAEHN COc1cc(CN[C@H]2CCC[C@H](O)C2)cc(OC)c1OC ZINC000037164264 343426267 /nfs/dbraw/zinc/42/62/67/343426267.db2.gz GOHAMCMBAWJBBY-STQMWFEESA-N 0 3 295.379 2.106 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000152200895 282262818 /nfs/dbraw/zinc/26/28/18/282262818.db2.gz LHBVEHZNUOUJIS-HOTGVXAUSA-N 0 3 272.392 2.343 10 0 CEAEHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])ccc3F)CC[C@@H]21 ZINC000295026386 199306119 /nfs/dbraw/zinc/30/61/19/199306119.db2.gz SAKNXDWHEZEYNV-NHYWBVRUSA-N 0 3 292.354 2.088 10 0 CEAEHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])ccc3F)CC[C@@H]21 ZINC000295026386 199306120 /nfs/dbraw/zinc/30/61/20/199306120.db2.gz SAKNXDWHEZEYNV-NHYWBVRUSA-N 0 3 292.354 2.088 10 0 CEAEHN Cc1ccccc1[C@H](C)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000128282686 365783685 /nfs/dbraw/zinc/78/36/85/365783685.db2.gz KKRNMBPMHJKKCQ-OAGGEKHMSA-N 0 3 276.424 2.443 10 0 CEAEHN CCC1CCC(NC(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000127005051 187275587 /nfs/dbraw/zinc/27/55/87/187275587.db2.gz ZUBJOQAESFEWCG-RYSNWHEDSA-N 0 3 252.402 2.460 10 0 CEAEHN COC(=O)c1csc(CN2CCN3CCCC[C@@H]3C2)c1 ZINC000602450088 347037384 /nfs/dbraw/zinc/03/73/84/347037384.db2.gz HLPIEMDCSNCRRI-CYBMUJFWSA-N 0 3 294.420 2.205 10 0 CEAEHN C[C@@H](OCC1CC1)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000119548980 344295668 /nfs/dbraw/zinc/29/56/68/344295668.db2.gz XKLMMGQBSFDBSA-CJNGLKHVSA-N 0 3 290.407 2.221 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC/C=C/c2ccccc2)C1 ZINC000112745419 344275331 /nfs/dbraw/zinc/27/53/31/344275331.db2.gz RPEQEIABQLSJPR-DHINHOHASA-N 0 3 287.407 2.483 10 0 CEAEHN CCCC[C@H](CC)CNC(=O)C(C)(C)N1CCNCC1 ZINC000129691434 344346128 /nfs/dbraw/zinc/34/61/28/344346128.db2.gz DZQCXOZWSHTVIO-AWEZNQCLSA-N 0 3 283.460 2.003 10 0 CEAEHN COc1ccc(-c2noc([C@@H]3CCCN3)n2)cc1C ZINC000129780687 344346731 /nfs/dbraw/zinc/34/67/31/344346731.db2.gz ZJTPIVQZTATSGZ-NSHDSACASA-N 0 3 259.309 2.478 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(C)cc2C)C1 ZINC000134438668 344374401 /nfs/dbraw/zinc/37/44/01/344374401.db2.gz KZARUQDRATZOQS-MRXNPFEDSA-N 0 3 262.397 2.114 10 0 CEAEHN CCN1CCO[C@H](CNCc2cccc(C)c2C)C1 ZINC000134437204 344374444 /nfs/dbraw/zinc/37/44/44/344374444.db2.gz ASEGTQYJXUGLHM-MRXNPFEDSA-N 0 3 262.397 2.114 10 0 CEAEHN CCCOc1cccc(CNC[C@H]2CN(CC)CCO2)c1 ZINC000134435929 344374467 /nfs/dbraw/zinc/37/44/67/344374467.db2.gz JMPWGNHGRXOCHS-KRWDZBQOSA-N 0 3 292.423 2.286 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2cccc(C)c2)C1 ZINC000135365204 344381600 /nfs/dbraw/zinc/38/16/00/344381600.db2.gz YQWFVPDINDTKPU-HOCLYGCPSA-N 0 3 262.397 2.366 10 0 CEAEHN C[C@@H](Cc1ccsc1)NC(=O)[C@@]1(C)CCCCN1 ZINC000136179391 344384250 /nfs/dbraw/zinc/38/42/50/344384250.db2.gz KJQVEDYQWPOIOI-SMDDNHRTSA-N 0 3 266.410 2.328 10 0 CEAEHN Cc1ccc(NC(=O)N[C@H]2C[C@@H]2C)c(OCCN(C)C)c1 ZINC000154618631 344435318 /nfs/dbraw/zinc/43/53/18/344435318.db2.gz DYBAEOKVICCBPY-JSGCOSHPSA-N 0 3 291.395 2.465 10 0 CEAEHN CCOC(=O)C[C@@H](O)CN[C@@H](C)c1ccc(CC)cc1 ZINC000234009116 344582872 /nfs/dbraw/zinc/58/28/72/344582872.db2.gz YUWYVWHNLHNHBZ-SWLSCSKDSA-N 0 3 279.380 2.214 10 0 CEAEHN CCOC(=O)C[C@@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000234012104 344583138 /nfs/dbraw/zinc/58/31/38/344583138.db2.gz AHWBEJBKZMTJDD-RKDXNWHRSA-N 0 3 291.800 2.366 10 0 CEAEHN NCc1ccc(Br)c(OC(F)(F)F)n1 ZINC000238676609 344607666 /nfs/dbraw/zinc/60/76/66/344607666.db2.gz VLRIDYBIAHDOGD-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN C[C@@H]1CN[C@@]2(CCN(C(=O)OC(C)(C)C)C2)S1 ZINC000306586130 344714981 /nfs/dbraw/zinc/71/49/81/344714981.db2.gz RDBUOXUHBWPXHS-SKDRFNHKSA-N 0 3 258.387 2.048 10 0 CEAEHN CCC[C@](CN)(C(=O)OCC)c1cccc(OC)c1 ZINC000584595469 344961283 /nfs/dbraw/zinc/96/12/83/344961283.db2.gz YGDDAVYDQVEEPG-OAHLLOKOSA-N 0 3 265.353 2.255 10 0 CEAEHN CN1C(=O)[C@H](N)[C@@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21 ZINC000584640103 344971643 /nfs/dbraw/zinc/97/16/43/344971643.db2.gz PKGATXGVSMIGRV-XHJNMGKDSA-N 0 3 250.386 2.151 10 0 CEAEHN CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)NC ZINC000054074753 362508478 /nfs/dbraw/zinc/50/84/78/362508478.db2.gz JKLWZJHWJMYBLI-MRVPVSSYSA-N 0 3 260.790 2.358 10 0 CEAEHN CCc1nnc(NCc2ccc3c(c2)CNC3)nc1CC ZINC000097838141 232187123 /nfs/dbraw/zinc/18/71/23/232187123.db2.gz YENJITOMMDLMIL-UHFFFAOYSA-N 0 3 283.379 2.212 10 0 CEAEHN CCCc1ccc(O[C@H](C)C[C@](C)(NC)C(N)=O)cc1 ZINC000084397072 178882189 /nfs/dbraw/zinc/88/21/89/178882189.db2.gz OMKJFEZYOKYOIO-WBMJQRKESA-N 0 3 278.396 2.260 10 0 CEAEHN N[C@@](CO)(COc1ccc(F)cc1)c1ccccc1 ZINC000085285128 179002859 /nfs/dbraw/zinc/00/28/59/179002859.db2.gz OFCJOSYLCXCWHL-HNNXBMFYSA-N 0 3 261.296 2.051 10 0 CEAEHN NC[C@@](O)(COc1ccc(F)cc1)c1ccccc1 ZINC000085307056 179012901 /nfs/dbraw/zinc/01/29/01/179012901.db2.gz MNXINOFKNUXAGG-OAHLLOKOSA-N 0 3 261.296 2.051 10 0 CEAEHN COC(OC)[C@H](C)N[C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085402127 179052435 /nfs/dbraw/zinc/05/24/35/179052435.db2.gz GMAVPZODYWMRAN-RWMBFGLXSA-N 0 3 273.417 2.423 10 0 CEAEHN CC1(C)CN[C@@H](c2ccccc2)CN1Cc1ncccn1 ZINC000085507514 179085441 /nfs/dbraw/zinc/08/54/41/179085441.db2.gz SPFWUGLTCWNOER-OAHLLOKOSA-N 0 3 282.391 2.402 10 0 CEAEHN Cc1oncc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128941309 365811298 /nfs/dbraw/zinc/81/12/98/365811298.db2.gz NEJIVJBCGNVIQQ-ZIAGYGMSSA-N 0 3 250.342 2.110 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000062969410 362737998 /nfs/dbraw/zinc/73/79/98/362737998.db2.gz HAIZDYWPUHKFGZ-JTQLQIEISA-N 0 3 270.735 2.255 10 0 CEAEHN Cc1ccc(F)c(OCC[C@](C)(NC(C)C)C(N)=O)c1 ZINC000085560343 179093692 /nfs/dbraw/zinc/09/36/92/179093692.db2.gz OEBNPLXYBSBJOE-HNNXBMFYSA-N 0 3 282.359 2.145 10 0 CEAEHN CCCc1nc2c(n1[C@@H]1CCCN(CC)C1)CCNC2 ZINC000085572802 179098677 /nfs/dbraw/zinc/09/86/77/179098677.db2.gz UUUXNKUEUXFZRC-CYBMUJFWSA-N 0 3 276.428 2.138 10 0 CEAEHN O[C@H]1CCCC[C@H]1CNCc1ccc(Br)cn1 ZINC000085978943 179208598 /nfs/dbraw/zinc/20/85/98/179208598.db2.gz BLHSRIJMWXXSDG-GWCFXTLKSA-N 0 3 299.212 2.485 10 0 CEAEHN CC(C)c1nn(C)cc1CNC[C@@H]1CCCC[C@H]1O ZINC000085973482 179207374 /nfs/dbraw/zinc/20/73/74/179207374.db2.gz PFVRYLMFGRMVCC-GXTWGEPZSA-N 0 3 265.401 2.184 10 0 CEAEHN COC(=O)c1ccccc1CNC[C@H]1CCCC[C@@H]1O ZINC000085977771 179208825 /nfs/dbraw/zinc/20/88/25/179208825.db2.gz XLPXFQIIALMVGH-HIFRSBDPSA-N 0 3 277.364 2.114 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)[C@@H](CN)c2ccccc2)[C@@H]1C ZINC000086073938 179224845 /nfs/dbraw/zinc/22/48/45/179224845.db2.gz VHEUFQAMLORGDK-UXOAXIEHSA-N 0 3 260.381 2.280 10 0 CEAEHN C[C@H]1[C@H](N[C@@H]2CC(=O)N(c3ccccc3)C2=O)CC[C@@H]1C ZINC000086075204 179225115 /nfs/dbraw/zinc/22/51/15/179225115.db2.gz QRPVHTGDZOIJJF-CTHBEMJXSA-N 0 3 286.375 2.343 10 0 CEAEHN Nc1ccncc1CC(=O)c1ccc(Cl)cc1N ZINC000086111954 179233498 /nfs/dbraw/zinc/23/34/98/179233498.db2.gz QWIXFPRCIACFKF-UHFFFAOYSA-N 0 3 261.712 2.325 10 0 CEAEHN c1ccc([C@H]2CN(CC[C@@H]3CCCO3)CCN2)cc1 ZINC000086145621 179237531 /nfs/dbraw/zinc/23/75/31/179237531.db2.gz QKHPYFAHMXFQSJ-JKSUJKDBSA-N 0 3 260.381 2.202 10 0 CEAEHN COc1ccc(CN(C)C[C@H](O)COC(C)(C)C)cc1O ZINC000086169252 179243315 /nfs/dbraw/zinc/24/33/15/179243315.db2.gz JPOFXJHSHBJYGO-ZDUSSCGKSA-N 0 3 297.395 2.009 10 0 CEAEHN NC[C@@H](c1cc(Cl)cs1)N1CCSCC1 ZINC000086333189 179273185 /nfs/dbraw/zinc/27/31/85/179273185.db2.gz DEFAGRYLROEYPI-VIFPVBQESA-N 0 3 262.831 2.450 10 0 CEAEHN CCO[C@H]1CCCN(c2nc3c(s2)CCC[C@@H]3N)C1 ZINC000086443928 179293556 /nfs/dbraw/zinc/29/35/56/179293556.db2.gz GTHKWYHSXCDMIR-QWRGUYRKSA-N 0 3 281.425 2.485 10 0 CEAEHN CN(C[C@@H]1CCCOC1)c1nc2c(s1)CCC[C@@H]2N ZINC000086444208 179294618 /nfs/dbraw/zinc/29/46/18/179294618.db2.gz ZBDXQCQCXHAWQI-QWRGUYRKSA-N 0 3 281.425 2.342 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cccc(C)c1O ZINC000086445987 179294749 /nfs/dbraw/zinc/29/47/49/179294749.db2.gz PQLAMFVHDIAWFR-QWHCGFSZSA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccn2C2CC2)[C@@H](CC)CN1 ZINC000086448004 179295579 /nfs/dbraw/zinc/29/55/79/179295579.db2.gz OYIONLMISIKOSZ-OLZOCXBDSA-N 0 3 275.396 2.426 10 0 CEAEHN COC(OC)[C@@H](N)Cc1cc(Cl)ccc1Cl ZINC000086451794 179296467 /nfs/dbraw/zinc/29/64/67/179296467.db2.gz INUWDQWMHRXENX-JTQLQIEISA-N 0 3 264.152 2.482 10 0 CEAEHN COC(OC)[C@@H](N)Cc1ccc(Br)cc1F ZINC000086451659 179296651 /nfs/dbraw/zinc/29/66/51/179296651.db2.gz QIONOEYPQXSSIV-JTQLQIEISA-N 0 3 292.148 2.077 10 0 CEAEHN CN[C@@H](Cc1ccc(Br)s1)C(OC)OC ZINC000086452214 179296672 /nfs/dbraw/zinc/29/66/72/179296672.db2.gz YIDMVOCSHMBRPM-QMMMGPOBSA-N 0 3 294.214 2.260 10 0 CEAEHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccccc1OC(F)F ZINC000086467276 179297357 /nfs/dbraw/zinc/29/73/57/179297357.db2.gz LNZOQZQHMJEBJX-VHSXEESVSA-N 0 3 284.306 2.110 10 0 CEAEHN COc1ccc([C@H]2[C@H](CN)OCCN2C2CC2)cc1Cl ZINC000086584998 179309482 /nfs/dbraw/zinc/30/94/82/179309482.db2.gz VYWCGGGKRLSYDZ-GJZGRUSLSA-N 0 3 296.798 2.212 10 0 CEAEHN CNCc1c(C)nn(C)c1Sc1nc(C)c(C)c(C)n1 ZINC000086645764 179316728 /nfs/dbraw/zinc/31/67/28/179316728.db2.gz HQTUOBPMJMHAHI-UHFFFAOYSA-N 0 3 291.424 2.314 10 0 CEAEHN O[C@H](c1ccc2c(c1)CCO2)[C@H]1NCc2ccccc21 ZINC000086668059 179317304 /nfs/dbraw/zinc/31/73/04/179317304.db2.gz COVMEGVBTMJKHH-DLBZAZTESA-N 0 3 267.328 2.499 10 0 CEAEHN C[C@@H](N[C@@H]1CCC[C@@H]1S(C)(=O)=O)c1cccs1 ZINC000086671755 179317625 /nfs/dbraw/zinc/31/76/25/179317625.db2.gz ZFUBYPUCXMRKFD-FOGDFJRCSA-N 0 3 273.423 2.364 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@H]1NCCSc1ccccc1 ZINC000086675297 179318410 /nfs/dbraw/zinc/31/84/10/179318410.db2.gz GNJYLXZTNVAQLM-ZIAGYGMSSA-N 0 3 299.461 2.334 10 0 CEAEHN CCc1ccccc1CN[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086676223 179319525 /nfs/dbraw/zinc/31/95/25/179319525.db2.gz NTJNAAHCNUFIOT-CABCVRRESA-N 0 3 281.421 2.304 10 0 CEAEHN CCN1CC[C@@H](N[C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897081 365940570 /nfs/dbraw/zinc/94/05/70/365940570.db2.gz OQTFJDOQTWJATB-QWHCGFSZSA-N 0 3 278.396 2.449 10 0 CEAEHN Cn1nccc1C1CCN(Cc2ccncc2)CC1 ZINC000130325072 365944657 /nfs/dbraw/zinc/94/46/57/365944657.db2.gz RJKHGAOBCREGPU-UHFFFAOYSA-N 0 3 256.353 2.195 10 0 CEAEHN COC(=O)[C@]1(Nc2ccccc2OC)CCCN(C)CC1 ZINC000086833306 179349970 /nfs/dbraw/zinc/34/99/70/179349970.db2.gz FOBHKJWZNHYTHV-INIZCTEOSA-N 0 3 292.379 2.135 10 0 CEAEHN CCN1CCC[C@](NCCOC)(c2nc(C)cs2)CC1 ZINC000086851693 179359910 /nfs/dbraw/zinc/35/99/10/179359910.db2.gz XJMFBRWJZXMYGF-OAHLLOKOSA-N 0 3 297.468 2.389 10 0 CEAEHN CC(C)N1CCC[C@@](C(=O)[O-])([NH+]2CCCCC2)CC1 ZINC000086867811 179360471 /nfs/dbraw/zinc/36/04/71/179360471.db2.gz AVNLFTIRUPFIPN-OAHLLOKOSA-N 0 3 268.401 2.190 10 0 CEAEHN CCOC(=O)[C@@]1(NC2CCCC2)CCCN(CC)CC1 ZINC000086850392 179358190 /nfs/dbraw/zinc/35/81/90/179358190.db2.gz CWRZHBZDLTURMA-MRXNPFEDSA-N 0 3 282.428 2.326 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(C)C)CCC[C@H](CC)CC1 ZINC000086915936 179367437 /nfs/dbraw/zinc/36/74/37/179367437.db2.gz VIAWLYLBTMGEQY-GOEBONIOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCNCc1cnc([C@@H]2CSCCS2)nc1 ZINC000086985379 179374052 /nfs/dbraw/zinc/37/40/52/179374052.db2.gz ZRBNJWSQFJNCRB-JTQLQIEISA-N 0 3 255.412 2.107 10 0 CEAEHN CCCn1nccc1[C@@H](N)[C@@H]1CSCCS1 ZINC000086983855 179374177 /nfs/dbraw/zinc/37/41/77/179374177.db2.gz GDNXQDXCNVHPCQ-WDEREUQCSA-N 0 3 257.428 2.142 10 0 CEAEHN CCOC1CCN([C@H](CN)c2ccc(OC)c(F)c2)CC1 ZINC000086983665 179374188 /nfs/dbraw/zinc/37/41/88/179374188.db2.gz VOYPHGJDZHFEBY-OAHLLOKOSA-N 0 3 296.386 2.335 10 0 CEAEHN CC[C@@]1(C)CNC[C@@H](c2nc3ccccc3n2C)O1 ZINC000087006743 179378425 /nfs/dbraw/zinc/37/84/25/179378425.db2.gz JDDFFPVPCMYOEC-ZFWWWQNUSA-N 0 3 259.353 2.403 10 0 CEAEHN C[C@@H](NCC1(O)CCC(C)(C)CC1)C(=O)N1CCCCC1 ZINC000087063422 179389961 /nfs/dbraw/zinc/38/99/61/179389961.db2.gz PYZKEYZNIYEQOU-CQSZACIVSA-N 0 3 296.455 2.308 10 0 CEAEHN COc1cc(C2CCN(C)CC2)c(C)cc1NC=O ZINC000616220704 348462094 /nfs/dbraw/zinc/46/20/94/348462094.db2.gz NELXPMSWFMHPLE-UHFFFAOYSA-N 0 3 262.353 2.381 10 0 CEAEHN OCc1cccc([C@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000616632917 348541611 /nfs/dbraw/zinc/54/16/11/348541611.db2.gz DRTZTSBLORITNJ-GOSISDBHSA-N 0 3 282.387 2.325 10 0 CEAEHN CCOC(=O)c1ccc([C@H]2CN(C(C)C)CCN2)cc1 ZINC000616632659 348541646 /nfs/dbraw/zinc/54/16/46/348541646.db2.gz WETUBVLPMHXJAS-OAHLLOKOSA-N 0 3 276.380 2.218 10 0 CEAEHN c1cc([C@@H]2CN(Cc3ccccc3)CCCO2)n[nH]1 ZINC000616652319 348548656 /nfs/dbraw/zinc/54/86/56/348548656.db2.gz KGVBLGVHUZUQBT-HNNXBMFYSA-N 0 3 257.337 2.373 10 0 CEAEHN CCCC(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](N)C1 ZINC000616571169 348524253 /nfs/dbraw/zinc/52/42/53/348524253.db2.gz POYFHQVMSZSFJH-KBPBESRZSA-N 0 3 264.344 2.269 10 0 CEAEHN CCN1CCO[C@@H](c2cccc(NC(C)=O)c2)CC1 ZINC000616592611 348527762 /nfs/dbraw/zinc/52/77/62/348527762.db2.gz DFVCXTXODSLEJV-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN CC(C)N1CCOC[C@@H](c2cccc3ccnnc32)C1 ZINC000616659217 348551302 /nfs/dbraw/zinc/55/13/02/348551302.db2.gz DCFYLGDCNUWFLG-AWEZNQCLSA-N 0 3 271.364 2.454 10 0 CEAEHN C[C@H](CN)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000088068567 179544120 /nfs/dbraw/zinc/54/41/20/179544120.db2.gz YTXBONQVJRBCDC-SSDOTTSWSA-N 0 3 282.192 2.255 10 0 CEAEHN c1ccc(CN2CCO[C@@H](c3ccnnc3)CC2)cc1 ZINC000616662127 348552862 /nfs/dbraw/zinc/55/28/62/348552862.db2.gz AWRRDIOQPUJPSU-MRXNPFEDSA-N 0 3 269.348 2.440 10 0 CEAEHN Nc1ccn(CCCN2CCC(C(F)(F)F)CC2)n1 ZINC000088417385 179596534 /nfs/dbraw/zinc/59/65/34/179596534.db2.gz IYQWUPUBRFKNDT-UHFFFAOYSA-N 0 3 276.306 2.130 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1c(F)cc(F)cc1F ZINC000088721459 179658223 /nfs/dbraw/zinc/65/82/23/179658223.db2.gz OCAXPZKXQUBOKV-QUBYGPBYSA-N 0 3 260.259 2.416 10 0 CEAEHN CNCc1cc(S(=O)(=O)N(C)CCC(C)C)cs1 ZINC000088991474 179690060 /nfs/dbraw/zinc/69/00/60/179690060.db2.gz MCXQPTHBKFSTFD-UHFFFAOYSA-N 0 3 290.454 2.134 10 0 CEAEHN CNCc1ccc(S(=O)(=O)N(C)CC(C)(C)C)s1 ZINC000089013530 179690931 /nfs/dbraw/zinc/69/09/31/179690931.db2.gz CFHPYMILQZBCRQ-UHFFFAOYSA-N 0 3 290.454 2.134 10 0 CEAEHN CN(CCOc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000068047087 362934683 /nfs/dbraw/zinc/93/46/83/362934683.db2.gz ZUHQLQQYLXMBJC-AWEZNQCLSA-N 0 3 281.396 2.173 10 0 CEAEHN Cc1ccc(C)c(OCCN2C[C@H](C)C[C@@H](O)C2)c1 ZINC000401707929 233184370 /nfs/dbraw/zinc/18/43/70/233184370.db2.gz RPYSWVAHMXAILO-UKRRQHHQSA-N 0 3 263.381 2.385 10 0 CEAEHN CCn1nc(C)c(Cl)c1CN[C@@H](C)CN1CCCC1 ZINC000089276940 179763826 /nfs/dbraw/zinc/76/38/26/179763826.db2.gz SGHXYPSMXGBYDO-NSHDSACASA-N 0 3 284.835 2.439 10 0 CEAEHN CC(C)(CN1CC(O)(C2CC2)C1)C(=O)Nc1ccccc1 ZINC000089679546 179845583 /nfs/dbraw/zinc/84/55/83/179845583.db2.gz LEUOFYXAAMNKKT-UHFFFAOYSA-N 0 3 288.391 2.108 10 0 CEAEHN CNCc1cncn1CCc1cc(F)cc(F)c1 ZINC000090242277 179939049 /nfs/dbraw/zinc/93/90/49/179939049.db2.gz JXXAQOICZPZKGC-UHFFFAOYSA-N 0 3 251.280 2.123 10 0 CEAEHN CCC(CC)[C@@H](C)NCc1c(OC)ncnc1OC ZINC000104437259 186001283 /nfs/dbraw/zinc/00/12/83/186001283.db2.gz OFHBOBUWHUIRQZ-SNVBAGLBSA-N 0 3 267.373 2.408 10 0 CEAEHN C[C@@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)COC[C@H]1N ZINC000090580623 180008372 /nfs/dbraw/zinc/00/83/72/180008372.db2.gz JFQQYILDZDUXIB-ZYHUDNBSSA-N 0 3 289.162 2.296 10 0 CEAEHN Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@]1(C)COC[C@@H]1N ZINC000090593817 180010302 /nfs/dbraw/zinc/01/03/02/180010302.db2.gz ZNTAZVVOHPYUMJ-ZOBUZTSGSA-N 0 3 288.391 2.022 10 0 CEAEHN CCCN(Cc1ccc(C)cc1)C(=O)[C@@]1(C)COC[C@@H]1N ZINC000090590689 180010637 /nfs/dbraw/zinc/01/06/37/180010637.db2.gz ABPPINMUDJTBID-RDJZCZTQSA-N 0 3 290.407 2.097 10 0 CEAEHN Nc1ccc2cc(CN3CCC(O)CC3)ccc2c1 ZINC000090715629 180029189 /nfs/dbraw/zinc/02/91/89/180029189.db2.gz GEBIDLYXGZLTOJ-UHFFFAOYSA-N 0 3 256.349 2.379 10 0 CEAEHN COc1ncnc(NC[C@H](C)N2CCCCC2)c1C ZINC000090790862 180041968 /nfs/dbraw/zinc/04/19/68/180041968.db2.gz VAUBKKJBBNVNQZ-NSHDSACASA-N 0 3 264.373 2.080 10 0 CEAEHN COc1ncnc(NC[C@@H](C)N2CCCCC2)c1C ZINC000090790861 180042222 /nfs/dbraw/zinc/04/22/22/180042222.db2.gz VAUBKKJBBNVNQZ-LLVKDONJSA-N 0 3 264.373 2.080 10 0 CEAEHN CCOc1ncnc(N[C@H](C)CN2CCCC2)c1C ZINC000090791029 180042506 /nfs/dbraw/zinc/04/25/06/180042506.db2.gz FPWIYMYCAHVRCN-LLVKDONJSA-N 0 3 264.373 2.080 10 0 CEAEHN CCNCc1ccn(C[C@@H]2Cc3cc(F)ccc3O2)n1 ZINC000090895619 180056418 /nfs/dbraw/zinc/05/64/18/180056418.db2.gz XILXNRMMZBGGDW-AWEZNQCLSA-N 0 3 275.327 2.135 10 0 CEAEHN CCCN(CCO)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900949 180058590 /nfs/dbraw/zinc/05/85/90/180058590.db2.gz GQZZATUHWSARNV-ZDUSSCGKSA-N 0 3 269.772 2.348 10 0 CEAEHN Cc1nn(C[C@@H]2Cc3cc(C)ccc3O2)c(C)c1CN ZINC000090900408 180059400 /nfs/dbraw/zinc/05/94/00/180059400.db2.gz FSCSRGHCGXRTOB-AWEZNQCLSA-N 0 3 271.364 2.271 10 0 CEAEHN CC(=O)Nc1ccsc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000090960130 180075731 /nfs/dbraw/zinc/07/57/31/180075731.db2.gz JWCIYKIVCMYMMX-GHMZBOCLSA-N 0 3 268.382 2.100 10 0 CEAEHN Nc1ccccc1CNC[C@@H]1Cc2ccccc2O1 ZINC000090962280 180076017 /nfs/dbraw/zinc/07/60/17/180076017.db2.gz LEKCUIQXHSALDK-AWEZNQCLSA-N 0 3 254.333 2.362 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@H]1CCC[C@@H](O)C1 ZINC000090962100 180076073 /nfs/dbraw/zinc/07/60/73/180076073.db2.gz VZQWXKOUEIYILK-UONOGXRCSA-N 0 3 262.353 2.038 10 0 CEAEHN CO[C@H]1CCC[C@H]1NCc1ccccc1NC(C)=O ZINC000090962517 180076766 /nfs/dbraw/zinc/07/67/66/180076766.db2.gz KOMPPPUQJDVTDZ-CABCVRRESA-N 0 3 262.353 2.302 10 0 CEAEHN COc1cc(CNCc2c[nH]c3ncccc23)ccn1 ZINC000091018352 180087380 /nfs/dbraw/zinc/08/73/80/180087380.db2.gz MIOQUTLKEWHZGY-UHFFFAOYSA-N 0 3 268.320 2.256 10 0 CEAEHN CCn1cccc1CNCCNC(=O)c1ccc(C)cc1 ZINC000091025750 180089351 /nfs/dbraw/zinc/08/93/51/180089351.db2.gz DUSQXZCJKBKNTP-UHFFFAOYSA-N 0 3 285.391 2.336 10 0 CEAEHN NCc1cnn(Cc2cccc(F)c2)c1C(F)F ZINC000091339079 180136223 /nfs/dbraw/zinc/13/62/23/180136223.db2.gz BDCCYRLBKZKYRW-UHFFFAOYSA-N 0 3 255.243 2.467 10 0 CEAEHN COCCNCc1cnn(CC(C)C)c1C(C)C ZINC000091336490 180136459 /nfs/dbraw/zinc/13/64/59/180136459.db2.gz MFHZRQYCQNNQDN-UHFFFAOYSA-N 0 3 253.390 2.399 10 0 CEAEHN O=C(Nc1cccnc1)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091358703 180140399 /nfs/dbraw/zinc/14/03/99/180140399.db2.gz VEGBSDIXDWROMJ-XBFCOCLRSA-N 0 3 259.353 2.331 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)CSC[C@@H](C)CO)c1 ZINC000091261623 180116053 /nfs/dbraw/zinc/11/60/53/180116053.db2.gz URUVTHDCQMBBPH-GWCFXTLKSA-N 0 3 285.409 2.065 10 0 CEAEHN CC(C)n1cncc1[C@H](O)[C@H]1NCc2ccccc21 ZINC000091273625 180117899 /nfs/dbraw/zinc/11/78/99/180117899.db2.gz MIWOIMMUMNCNIQ-GJZGRUSLSA-N 0 3 257.337 2.342 10 0 CEAEHN CCN(Cc1ccco1)[C@H](CN)c1cncn1C1CC1 ZINC000091276334 180119644 /nfs/dbraw/zinc/11/96/44/180119644.db2.gz MLXAWPICRIJVJF-CQSZACIVSA-N 0 3 274.368 2.333 10 0 CEAEHN CC1(C)CCCN([C@@H](CN)c2cncn2C2CC2)C1 ZINC000091276591 180120054 /nfs/dbraw/zinc/12/00/54/180120054.db2.gz SEGJXHUIWXCDKI-ZDUSSCGKSA-N 0 3 262.401 2.340 10 0 CEAEHN NC[C@H](c1cncn1C1CC1)N(CC1CC1)C1CC1 ZINC000091276606 180120271 /nfs/dbraw/zinc/12/02/71/180120271.db2.gz YVIQWCDQQIDCDX-CQSZACIVSA-N 0 3 260.385 2.092 10 0 CEAEHN CCc1cccc(CC)c1NC(=O)C[C@@H]1CNCCO1 ZINC000091298916 180125335 /nfs/dbraw/zinc/12/53/35/180125335.db2.gz JZAHGEPTKYSKAQ-CQSZACIVSA-N 0 3 276.380 2.128 10 0 CEAEHN CC(C)[C@H](NC(=O)C[C@@H]1CNCCO1)c1ccc(F)cc1 ZINC000091299868 180127007 /nfs/dbraw/zinc/12/70/07/180127007.db2.gz PQBIKTHZUMGLNK-ZBFHGGJFSA-N 0 3 294.370 2.018 10 0 CEAEHN CCCNc1ncccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000091428625 180152965 /nfs/dbraw/zinc/15/29/65/180152965.db2.gz QGZZRINLKHUIEB-CYBMUJFWSA-N 0 3 290.411 2.070 10 0 CEAEHN CN[C@H](C)c1cc(F)ccc1N(C)CC1CC(O)C1 ZINC000091459877 180161284 /nfs/dbraw/zinc/16/12/84/180161284.db2.gz GPUUPGJOHSTGSC-XSRFYTQQSA-N 0 3 266.360 2.313 10 0 CEAEHN COCCNC[C@H](O)Cc1cc(Cl)ccc1Cl ZINC000091467882 180164128 /nfs/dbraw/zinc/16/41/28/180164128.db2.gz CARIWXALULUWOR-LLVKDONJSA-N 0 3 278.179 2.133 10 0 CEAEHN CN(Cc1cc(Cl)cc2c1OCOC2)CC1CC(O)C1 ZINC000091499140 180173708 /nfs/dbraw/zinc/17/37/08/180173708.db2.gz KUWUXDCPTMXSKF-UHFFFAOYSA-N 0 3 297.782 2.409 10 0 CEAEHN Cc1cccnc1C[C@@H](N)c1cccc2c1OCCO2 ZINC000091383921 180144332 /nfs/dbraw/zinc/14/43/32/180144332.db2.gz MJSDMZWBAYKUPL-CYBMUJFWSA-N 0 3 270.332 2.404 10 0 CEAEHN CCn1cc([C@@H](N)C(C)(C)N2CCCCC2)cn1 ZINC000091564602 180193514 /nfs/dbraw/zinc/19/35/14/180193514.db2.gz NBQRADZHBUSKHA-CYBMUJFWSA-N 0 3 250.390 2.167 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](N(C)C)C2)o1 ZINC000105087001 186041191 /nfs/dbraw/zinc/04/11/91/186041191.db2.gz WTDGMGVMLGARLE-OLZOCXBDSA-N 0 3 279.384 2.385 10 0 CEAEHN Cc1cc([C@@H](N)C(C)(C)N2CCOCC2)cs1 ZINC000091566278 180193881 /nfs/dbraw/zinc/19/38/81/180193881.db2.gz MHYIWXIQUHNILN-GFCCVEGCSA-N 0 3 254.399 2.167 10 0 CEAEHN CC[C@@](C)(C(=O)Cc1c(Cl)c(C)nn1C)N(C)C ZINC000091568856 180194650 /nfs/dbraw/zinc/19/46/50/180194650.db2.gz QUQOUVVZHZUXTA-ZDUSSCGKSA-N 0 3 271.792 2.224 10 0 CEAEHN CC[C@@](C)(C(=O)Cc1cnccc1N)N1CCCCC1 ZINC000091608141 180203902 /nfs/dbraw/zinc/20/39/02/180203902.db2.gz XIOXZHGLOPPIKT-INIZCTEOSA-N 0 3 275.396 2.430 10 0 CEAEHN CC[C@@](C)([C@H](O)CCc1ccccc1)N1CCOCC1 ZINC000091610949 180205696 /nfs/dbraw/zinc/20/56/96/180205696.db2.gz UVLYZKJPVPQXTC-SJORKVTESA-N 0 3 277.408 2.481 10 0 CEAEHN CC[C@@](C)([C@H](N)c1cc(F)ccc1F)N1CCOCC1 ZINC000091611585 180206228 /nfs/dbraw/zinc/20/62/28/180206228.db2.gz AZLZWSMYNZIUMA-CABCVRRESA-N 0 3 284.350 2.466 10 0 CEAEHN CCN[C@H](c1cncc(F)c1)[C@](C)(CC)N1CCOCC1 ZINC000091612993 180207251 /nfs/dbraw/zinc/20/72/51/180207251.db2.gz TYSWFQVWXKCIHR-CVEARBPZSA-N 0 3 295.402 2.372 10 0 CEAEHN CCC(CC)n1ccc(CNCC2CC(O)C2)n1 ZINC000091524373 180178378 /nfs/dbraw/zinc/17/83/78/180178378.db2.gz HXTVBPBRDVKOQH-UHFFFAOYSA-N 0 3 251.374 2.105 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000105048009 186038897 /nfs/dbraw/zinc/03/88/97/186038897.db2.gz XMEDDEMHRXIDPJ-QMMMGPOBSA-N 0 3 287.285 2.272 10 0 CEAEHN CCCN[C@@H](c1cnccn1)C1(N(C)C)CCCC1 ZINC000091638291 180211932 /nfs/dbraw/zinc/21/19/32/180211932.db2.gz DIZXMMVDPINCPH-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN CCCN[C@H](c1cnccn1)C1(N(C)C)CCCC1 ZINC000091638292 180212055 /nfs/dbraw/zinc/21/20/55/180212055.db2.gz DIZXMMVDPINCPH-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN COc1ccccc1[C@H](N)C1(N2CCOCC2)CCCC1 ZINC000091642858 180213790 /nfs/dbraw/zinc/21/37/90/180213790.db2.gz QUIGVICLNSSZTG-INIZCTEOSA-N 0 3 290.407 2.340 10 0 CEAEHN CCCn1ncnc1CC(=O)[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000091650728 180216222 /nfs/dbraw/zinc/21/62/22/180216222.db2.gz IRZDYOOEUYNXPA-BBRMVZONSA-N 0 3 292.427 2.310 10 0 CEAEHN Cc1cnc(Cl)nc1N[C@@H](C)CN1CCCC1 ZINC000091658459 180218526 /nfs/dbraw/zinc/21/85/26/180218526.db2.gz VITSEQDLIQKIDJ-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN Cc1cnc(Cl)nc1OC[C@H]1CCCCN1C ZINC000091657925 180218923 /nfs/dbraw/zinc/21/89/23/180218923.db2.gz AXTSYRVZSZZAMV-SNVBAGLBSA-N 0 3 255.749 2.302 10 0 CEAEHN CCOC(=O)CCCN[C@@H]1CCCc2cccnc21 ZINC000091661775 180219710 /nfs/dbraw/zinc/21/97/10/180219710.db2.gz AGWLKQGKBLNIKA-CYBMUJFWSA-N 0 3 262.353 2.392 10 0 CEAEHN Cc1cccc2c1OCCC[C@@H]2NC[C@@H]1CN(C)CCO1 ZINC000091667510 180223342 /nfs/dbraw/zinc/22/33/42/180223342.db2.gz WUCUXCJSTIZJJT-ZBFHGGJFSA-N 0 3 290.407 2.129 10 0 CEAEHN Cc1nc(Cl)c(C)c(NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091677195 180225529 /nfs/dbraw/zinc/22/55/29/180225529.db2.gz VJBGBPGVBVHYRL-VXGBXAGGSA-N 0 3 296.802 2.022 10 0 CEAEHN CCN[C@@H](c1cnc2ccccc2c1)[C@H]1CN(C)CCO1 ZINC000091718668 180233728 /nfs/dbraw/zinc/23/37/28/180233728.db2.gz IUVUAQWRCYMGGX-SJORKVTESA-N 0 3 285.391 2.216 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1cccc(OC(F)F)c1 ZINC000624235548 350239478 /nfs/dbraw/zinc/23/94/78/350239478.db2.gz MEWUVVDVHMKWDO-XDTLVQLUSA-N 0 3 287.306 2.088 10 0 CEAEHN CN[C@@H](C)c1cccn1CC(=O)Nc1ccccc1 ZINC000091800737 180259121 /nfs/dbraw/zinc/25/91/21/180259121.db2.gz GMNWROXHOXKVCX-LBPRGKRZSA-N 0 3 257.337 2.407 10 0 CEAEHN CCN[C@H](C)c1cnc([C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722497 180240903 /nfs/dbraw/zinc/24/09/03/180240903.db2.gz OCQAPQAATZLVQF-IJLUTSLNSA-N 0 3 281.425 2.349 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)N1CCCCC1 ZINC000091969487 180294483 /nfs/dbraw/zinc/29/44/83/180294483.db2.gz FUNZPGWKLQXILR-UHFFFAOYSA-N 0 3 259.353 2.350 10 0 CEAEHN CC[C@@H]1CN(C(=O)N2CCCCC2)[C@@H](CC)CN1 ZINC000091969517 180294685 /nfs/dbraw/zinc/29/46/85/180294685.db2.gz RRMVCLIEPMBQMF-OLZOCXBDSA-N 0 3 253.390 2.055 10 0 CEAEHN CC[C@@H]1CN(C(=O)N2CCCCCC2)[C@H](CC)CN1 ZINC000091971675 180295762 /nfs/dbraw/zinc/29/57/62/180295762.db2.gz MGRBLUJOOZGFRM-ZIAGYGMSSA-N 0 3 267.417 2.445 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@H]1CCCC[C@H]1O ZINC000091994814 180301497 /nfs/dbraw/zinc/30/14/97/180301497.db2.gz VZRHPOBSBRXVSN-HIFRSBDPSA-N 0 3 264.369 2.182 10 0 CEAEHN CNCc1nc(C)ccc1OCC[C@@H]1CCCO1 ZINC000091994243 180301586 /nfs/dbraw/zinc/30/15/86/180301586.db2.gz CQPXQIUYYUDTPV-LBPRGKRZSA-N 0 3 250.342 2.057 10 0 CEAEHN CCN(Cc1nc(C)ccc1[O-])[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091996215 180301967 /nfs/dbraw/zinc/30/19/67/180301967.db2.gz MQCUDIQTVGMYLJ-TZMCWYRMSA-N 0 3 263.385 2.045 10 0 CEAEHN Cc1ccc(O[C@@H]2CCOC2)c(CNC(C)C)n1 ZINC000091995392 180302572 /nfs/dbraw/zinc/30/25/72/180302572.db2.gz BGMAIHUJIQPHEQ-GFCCVEGCSA-N 0 3 250.342 2.056 10 0 CEAEHN CCCC[N-]S(=O)(=O)c1ccc(C[NH2+]CC)cc1F ZINC000092115831 180327479 /nfs/dbraw/zinc/32/74/79/180327479.db2.gz BMUKXIUEUNFQMY-UHFFFAOYSA-N 0 3 288.388 2.014 10 0 CEAEHN COC(C)(C)c1noc(C[C@H](N)c2ccccc2)n1 ZINC000092137918 180333564 /nfs/dbraw/zinc/33/35/64/180333564.db2.gz KZNSOGFRBHIYAU-NSHDSACASA-N 0 3 261.325 2.194 10 0 CEAEHN C[C@H]1CN(Cc2cc3c(cc2N)OCCO3)C[C@H]1C ZINC000092080855 180319455 /nfs/dbraw/zinc/31/94/55/180319455.db2.gz ZPGDCPJRIJBRDI-PHIMTYICSA-N 0 3 262.353 2.128 10 0 CEAEHN Cc1ccc(N)cc1NC(=O)CN1C[C@@H](C)[C@H](C)C1 ZINC000092081451 180319709 /nfs/dbraw/zinc/31/97/09/180319709.db2.gz QDQJHPJBLKTELR-VXGBXAGGSA-N 0 3 261.369 2.104 10 0 CEAEHN CNCc1c(N2C[C@H](C)[C@@H](C)C2)nc2ccccn21 ZINC000092086728 180320724 /nfs/dbraw/zinc/32/07/24/180320724.db2.gz RCFNSYWZGYLQAY-RYUDHWBXSA-N 0 3 258.369 2.146 10 0 CEAEHN CC(C)CNCc1ccc(N2C[C@H](C)[C@@H](C)C2)nn1 ZINC000092088935 180321740 /nfs/dbraw/zinc/32/17/40/180321740.db2.gz ROIKLEWSAWZXHX-STQMWFEESA-N 0 3 262.401 2.314 10 0 CEAEHN CCCc1ccc([C@H](N)CN2C(=O)[C@H](C)[C@H](C)C2=O)cc1 ZINC000092094282 180322961 /nfs/dbraw/zinc/32/29/61/180322961.db2.gz TUYSXNQCNBOBIU-TYNCELHUSA-N 0 3 288.391 2.280 10 0 CEAEHN CCCc1ccc([C@@H](CN2C(=O)C[C@H](C)C2=O)NC)cc1 ZINC000105832683 186075114 /nfs/dbraw/zinc/07/51/14/186075114.db2.gz YKKVTOYRDMRPTG-SWLSCSKDSA-N 0 3 288.391 2.295 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)c1 ZINC000105901784 186087667 /nfs/dbraw/zinc/08/76/67/186087667.db2.gz QYVRGRSUSIFMFL-OAHLLOKOSA-N 0 3 287.411 2.379 10 0 CEAEHN COCCN1CCN(Cc2cccc3cccnc32)C[C@H]1C ZINC000106108475 186102256 /nfs/dbraw/zinc/10/22/56/186102256.db2.gz UKFDANRSJGEQAO-OAHLLOKOSA-N 0 3 299.418 2.387 10 0 CEAEHN Cc1nn(C)c(C)c1Cn1c(N)nc2cc(C)ccc21 ZINC000092341045 180365749 /nfs/dbraw/zinc/36/57/49/180365749.db2.gz LUXFQNYKGLKWEF-UHFFFAOYSA-N 0 3 269.352 2.326 10 0 CEAEHN O=C1C[C@H](NC[C@H]2CC=CCC2)C(=O)N1C1CCCCC1 ZINC000106257918 186105793 /nfs/dbraw/zinc/10/57/93/186105793.db2.gz PUJURGZFEXZSJM-ZFWWWQNUSA-N 0 3 290.407 2.393 10 0 CEAEHN CN(Cc1cccc(Cl)n1)[C@H]1CCCN(C)C1 ZINC000092366518 180369165 /nfs/dbraw/zinc/36/91/65/180369165.db2.gz ZUHCLIKPASIHEO-LBPRGKRZSA-N 0 3 253.777 2.261 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N[C@H](CO)C(C)C)CCO2 ZINC000092393268 180376116 /nfs/dbraw/zinc/37/61/16/180376116.db2.gz OIBNPQDQKHITAQ-UONOGXRCSA-N 0 3 265.353 2.125 10 0 CEAEHN CNc1ccnc(CN2C[C@@H](C)S[C@H](C)C2)c1 ZINC000092419296 180381946 /nfs/dbraw/zinc/38/19/46/180381946.db2.gz NPSOWPKMSOZBMI-GHMZBOCLSA-N 0 3 251.399 2.449 10 0 CEAEHN NNc1ccnc(CN2CC[C@H](c3ccccc3)C2)c1 ZINC000092421073 180382418 /nfs/dbraw/zinc/38/24/18/180382418.db2.gz DEQMIDPSSADUKV-AWEZNQCLSA-N 0 3 268.364 2.357 10 0 CEAEHN CCN(Cc1cccc(C)n1)C[C@@H](C)C(N)=S ZINC000092429207 180384363 /nfs/dbraw/zinc/38/43/63/180384363.db2.gz MYYXCGZZHOQVAT-SNVBAGLBSA-N 0 3 251.399 2.134 10 0 CEAEHN Cc1cccc(CN2CCNCc3ccccc32)n1 ZINC000092431262 180384448 /nfs/dbraw/zinc/38/44/48/180384448.db2.gz CRRBXCCJNUWSTD-UHFFFAOYSA-N 0 3 253.349 2.500 10 0 CEAEHN CSC1(C(N)=S)CCN(Cc2cccc(C)n2)CC1 ZINC000092429270 180384547 /nfs/dbraw/zinc/38/45/47/180384547.db2.gz KXXULRCYJZPMHC-UHFFFAOYSA-N 0 3 295.477 2.374 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@@H](NCC2CCC(C)CC2)C1=O ZINC000109180710 186244798 /nfs/dbraw/zinc/24/47/98/186244798.db2.gz ZVSFXIDFXRKBHN-GNRIBBGQSA-N 0 3 280.412 2.328 10 0 CEAEHN CN(C)[C@H]1CCN(c2nc(C(C)(C)C)c(C=O)s2)C1 ZINC000110272179 186289746 /nfs/dbraw/zinc/28/97/46/186289746.db2.gz ZRQZOVNIBRLVKT-JTQLQIEISA-N 0 3 281.425 2.393 10 0 CEAEHN CC[C@H](N)[C@H](c1sccc1C)N1CCNC(=O)C1(C)C ZINC000110653809 186310923 /nfs/dbraw/zinc/31/09/23/186310923.db2.gz HGAUECIIQCTLQU-NWDGAFQWSA-N 0 3 295.452 2.045 10 0 CEAEHN CCCC[C@@H](CC)C(=O)NC1CCN(CC(N)=S)CC1 ZINC000110825813 186327657 /nfs/dbraw/zinc/32/76/57/186327657.db2.gz DUWCWSLHJNDUFA-GFCCVEGCSA-N 0 3 299.484 2.070 10 0 CEAEHN CCCNC(=O)COc1cc(C)ccc1[C@@H](C)NC ZINC000110959562 186336537 /nfs/dbraw/zinc/33/65/37/186336537.db2.gz MIWSHKKSNHYJGX-GFCCVEGCSA-N 0 3 264.369 2.180 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc(C)c(F)c2)CCO1 ZINC000110977100 186339235 /nfs/dbraw/zinc/33/92/35/186339235.db2.gz JPAUEQAQKAPKTQ-HIFRSBDPSA-N 0 3 266.360 2.245 10 0 CEAEHN CC(C)Oc1ccc([C@@H](N)CN2CCN(C)[C@@H](C)C2)cc1 ZINC000110712539 186315963 /nfs/dbraw/zinc/31/59/63/186315963.db2.gz QZRAVXGXEBDFKV-YOEHRIQHSA-N 0 3 291.439 2.110 10 0 CEAEHN CCOc1ccccc1[C@H](N)CN1CCN(C)C(C)(C)C1 ZINC000110716445 186316525 /nfs/dbraw/zinc/31/65/25/186316525.db2.gz REMGBJPFRISDOZ-OAHLLOKOSA-N 0 3 291.439 2.111 10 0 CEAEHN CC[C@@H]1CN(Cc2cc3ccccc3nc2N)CCN1C ZINC000110742874 186319365 /nfs/dbraw/zinc/31/93/65/186319365.db2.gz KGTQEJCKRPSXGG-OAHLLOKOSA-N 0 3 284.407 2.343 10 0 CEAEHN CCN1CCN(c2nc(C(C)(C)C)c(CN)s2)C[C@@H]1C ZINC000110760114 186323446 /nfs/dbraw/zinc/32/34/46/186323446.db2.gz OCYVQUMZKKAAFM-NSHDSACASA-N 0 3 296.484 2.430 10 0 CEAEHN O=C1CC[C@H](N[C@H]2CCSc3c(F)cccc32)CN1 ZINC000111018067 186343840 /nfs/dbraw/zinc/34/38/40/186343840.db2.gz UPJFBHJUABMAQM-CABZTGNLSA-N 0 3 280.368 2.231 10 0 CEAEHN CCOc1ccccc1[C@@H](N)CN(C)C[C@@H]1CCCOC1 ZINC000111160764 186362407 /nfs/dbraw/zinc/36/24/07/186362407.db2.gz IKVDZXVJEVKEQV-HOCLYGCPSA-N 0 3 292.423 2.444 10 0 CEAEHN CCOCCN(CC)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000111118924 186354440 /nfs/dbraw/zinc/35/44/40/186354440.db2.gz VRHMOGSHJPNJMU-ZBFHGGJFSA-N 0 3 278.396 2.067 10 0 CEAEHN COc1cc(CNCC2CC(O)C2)c(SC)cc1OC ZINC000091424586 539806527 /nfs/dbraw/zinc/80/65/27/539806527.db2.gz QNSJNSRFPWPEBY-UHFFFAOYSA-N 0 3 297.420 2.286 10 0 CEAEHN CCOCCN(CC)c1ccc(F)cc1CNCCOC ZINC000111120770 186354914 /nfs/dbraw/zinc/35/49/14/186354914.db2.gz XJXUIEXCOPCSCW-UHFFFAOYSA-N 0 3 298.402 2.425 10 0 CEAEHN CCNc1ncccc1CN(C)CC1CCOCC1 ZINC000111170918 186364798 /nfs/dbraw/zinc/36/47/98/186364798.db2.gz FTUUANSUNPYCSK-UHFFFAOYSA-N 0 3 263.385 2.372 10 0 CEAEHN c1ncn([C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)n1 ZINC000111229506 186372242 /nfs/dbraw/zinc/37/22/42/186372242.db2.gz HEMRRVRMIDYWDP-HNNXBMFYSA-N 0 3 284.363 2.050 10 0 CEAEHN Cc1ccsc1[C@H](CN)N1CCN(C)C(C)(C)C1 ZINC000111237362 186372944 /nfs/dbraw/zinc/37/29/44/186372944.db2.gz DCLPZVGXYVAZKB-LBPRGKRZSA-N 0 3 267.442 2.082 10 0 CEAEHN CCOCCN(CC)c1ncccc1CNC1CC1 ZINC000111238918 186374195 /nfs/dbraw/zinc/37/41/95/186374195.db2.gz DPFGUETYFYSSPT-UHFFFAOYSA-N 0 3 263.385 2.196 10 0 CEAEHN C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(CN)cn2)C1 ZINC000111281753 186387832 /nfs/dbraw/zinc/38/78/32/186387832.db2.gz DUJCWYDPAZAKRN-AAEUAGOBSA-N 0 3 261.369 2.191 10 0 CEAEHN N[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(F)cc1F ZINC000111367211 186406885 /nfs/dbraw/zinc/40/68/85/186406885.db2.gz LPUFUDZEOVMGME-GJZGRUSLSA-N 0 3 288.297 2.319 10 0 CEAEHN CC(C)OC1CCC(NC(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000151976726 539822516 /nfs/dbraw/zinc/82/25/16/539822516.db2.gz YQRGNBWHLBUEIE-SHARSMKWSA-N 0 3 297.443 2.068 10 0 CEAEHN CCC[C@@H](C(=O)NCc1ncc(CC)s1)N(C)C ZINC000121906319 187004235 /nfs/dbraw/zinc/00/42/35/187004235.db2.gz FTDYNNMMUOAXPP-NSHDSACASA-N 0 3 269.414 2.052 10 0 CEAEHN COc1ccc([C@H](C)NC[C@@H](C)N2CCOCC2)c(F)c1 ZINC000123253811 187080905 /nfs/dbraw/zinc/08/09/05/187080905.db2.gz UWTNSSCQQUFOIU-OLZOCXBDSA-N 0 3 296.386 2.206 10 0 CEAEHN C[C@@H](NC[C@H](C)N1CCOCC1)c1cccnc1Cl ZINC000123322268 187085160 /nfs/dbraw/zinc/08/51/60/187085160.db2.gz MUSXTMQECYDMGX-NWDGAFQWSA-N 0 3 283.803 2.106 10 0 CEAEHN CCc1ncsc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1CC ZINC000123645278 187102562 /nfs/dbraw/zinc/10/25/62/187102562.db2.gz LBCXFYQUENCEKF-RYUDHWBXSA-N 0 3 293.436 2.404 10 0 CEAEHN OC[C@H]1CN(C[C@H]2Cc3ccccc32)CCC1(F)F ZINC000291953047 198116165 /nfs/dbraw/zinc/11/61/65/198116165.db2.gz UPWXNEFKGBIKBN-CHWSQXEVSA-N 0 3 267.319 2.276 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2cc(C)ccc2OC)C1 ZINC000252729854 539896698 /nfs/dbraw/zinc/89/66/98/539896698.db2.gz IPUZIROTPTZZMJ-CABCVRRESA-N 0 3 292.423 2.375 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2sccc2C)C1 ZINC000252744199 539897572 /nfs/dbraw/zinc/89/75/72/539897572.db2.gz RFBJBOYUDMFCCB-OLZOCXBDSA-N 0 3 268.426 2.428 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc[nH]c1=S ZINC000152567282 188029446 /nfs/dbraw/zinc/02/94/46/188029446.db2.gz XTUDIIKQCHQLLY-LLVKDONJSA-N 0 3 281.425 2.076 10 0 CEAEHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250647107 539967216 /nfs/dbraw/zinc/96/72/16/539967216.db2.gz MOEMFCPGSTZZTL-YYIAUSFCSA-N 0 3 284.403 2.423 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251422819 539973646 /nfs/dbraw/zinc/97/36/46/539973646.db2.gz QDTCBHVXPPVHKT-CRWXNKLISA-N 0 3 252.402 2.125 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)nc2)C1 ZINC000155410859 188205033 /nfs/dbraw/zinc/20/50/33/188205033.db2.gz UJEKJJNNCXVYDM-PWSUYJOCSA-N 0 3 281.787 2.194 10 0 CEAEHN CCN(Cc1ccccc1Cl)C(=O)C1(N)CCOCC1 ZINC000132178051 366123833 /nfs/dbraw/zinc/12/38/33/366123833.db2.gz SYASIWKLYHQEKQ-UHFFFAOYSA-N 0 3 296.798 2.196 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N(C)Cc2cscn2)[C@@H](C)C1 ZINC000132350662 366137074 /nfs/dbraw/zinc/13/70/74/366137074.db2.gz NSUHYXIZDDHSOV-AAEUAGOBSA-N 0 3 296.440 2.013 10 0 CEAEHN COc1cccc(CNC[C@@H]2CCCC[C@@H]2O)c1F ZINC000165863655 540016034 /nfs/dbraw/zinc/01/60/34/540016034.db2.gz JPVHZLACWRXSRM-AAEUAGOBSA-N 0 3 267.344 2.475 10 0 CEAEHN CCCN=[S@](=O)(NCCC)c1ccc(N)cc1 ZINC000675074666 540116256 /nfs/dbraw/zinc/11/62/56/540116256.db2.gz HKUJIZSXHPZFDE-UHFFFAOYSA-N 0 3 255.387 2.420 10 0 CEAEHN C[C@H]1C[C@H](C(=O)N2CC[C@H](N(C)C)C2)C[C@@H](C)C1 ZINC000248528340 291104520 /nfs/dbraw/zinc/10/45/20/291104520.db2.gz DJMIRZIMQFSBAV-DGAVXFQQSA-N 0 3 252.402 2.221 10 0 CEAEHN CC[C@H]1CN(c2nc3ccccc3[nH]2)CCN1CCOC ZINC000134949533 366378013 /nfs/dbraw/zinc/37/80/13/366378013.db2.gz WTUASFWWPZQHII-ZDUSSCGKSA-N 0 3 288.395 2.110 10 0 CEAEHN CC(C)CN1CCC2(CC1)C(=O)CCN2C(C)C ZINC000712070536 538736411 /nfs/dbraw/zinc/73/64/11/538736411.db2.gz SWUYPDRYZLTYGT-UHFFFAOYSA-N 0 3 252.402 2.160 10 0 CEAEHN CCC[C@@H](N)C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000236952900 370664065 /nfs/dbraw/zinc/66/40/65/370664065.db2.gz RAZXZDVMKLBYMO-DGCLKSJQSA-N 0 3 266.410 2.411 10 0 CEAEHN COc1cccc(CNCC[C@@H]2CCCO2)c1F ZINC000165814509 540325455 /nfs/dbraw/zinc/32/54/55/540325455.db2.gz GJDUUXHGDKDBES-LBPRGKRZSA-N 0 3 253.317 2.493 10 0 CEAEHN CN(C(=O)[C@@]1(C)CCCCN1)c1ccc(F)c(F)c1 ZINC000180935004 540363475 /nfs/dbraw/zinc/36/34/75/540363475.db2.gz DQSFALUGIQZDMD-CQSZACIVSA-N 0 3 268.307 2.460 10 0 CEAEHN CCOC1CCN(c2cccc(F)c2CN)CC1 ZINC000093395268 535401388 /nfs/dbraw/zinc/40/13/88/535401388.db2.gz CLIRLQCQXLUDOW-UHFFFAOYSA-N 0 3 252.333 2.290 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCC(=O)NC(C)C)c1C ZINC000135106136 366395255 /nfs/dbraw/zinc/39/52/55/366395255.db2.gz DZZBZQFIDZHHEQ-LLVKDONJSA-N 0 3 280.416 2.085 10 0 CEAEHN COC(=O)c1cc(CN[C@@H]2CCCCC[C@H]2O)oc1C ZINC000135669325 366465172 /nfs/dbraw/zinc/46/51/72/366465172.db2.gz IGBFHTKGZUUTIZ-ZIAGYGMSSA-N 0 3 281.352 2.158 10 0 CEAEHN Cc1cc(C)c(CN(C)CC(C)(CO)CO)c(C)c1 ZINC000135918542 366482283 /nfs/dbraw/zinc/48/22/83/366482283.db2.gz JCBVYDROZQVLHD-UHFFFAOYSA-N 0 3 265.397 2.035 10 0 CEAEHN Fc1ccccc1CCN1CCC[C@@H](n2cncn2)C1 ZINC000137589726 366546458 /nfs/dbraw/zinc/54/64/58/366546458.db2.gz ZJHDHZBXCBVXQB-CQSZACIVSA-N 0 3 274.343 2.297 10 0 CEAEHN NC(=O)C[C@@H](N[C@H]1CCN(C2CC2)C1=O)C1CCCCC1 ZINC000329439296 202337110 /nfs/dbraw/zinc/33/71/10/202337110.db2.gz MOGBNIRYSHONBI-UONOGXRCSA-N 0 3 293.411 2.214 10 0 CEAEHN c1ccc(-c2nnc(N3CCN4CCC[C@@H]4C3)s2)cc1 ZINC000148269685 366579422 /nfs/dbraw/zinc/57/94/22/366579422.db2.gz NTNHXLQPFBPZBN-CYBMUJFWSA-N 0 3 286.404 2.490 10 0 CEAEHN CCOC(=O)CCN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000151115836 366623065 /nfs/dbraw/zinc/62/30/65/366623065.db2.gz GELSOEDIKXHNKN-AWEZNQCLSA-N 0 3 291.395 2.077 10 0 CEAEHN CC(C)OCc1noc(C2CCN(C3CC3)CC2)n1 ZINC000329572934 202391388 /nfs/dbraw/zinc/39/13/88/202391388.db2.gz JHZAXFIOEZWXHH-UHFFFAOYSA-N 0 3 265.357 2.336 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccccc1F ZINC000176996427 189020212 /nfs/dbraw/zinc/02/02/12/189020212.db2.gz TYGQPDCGTCVKPA-CQSZACIVSA-N 0 3 278.371 2.311 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cccc(F)c1 ZINC000177361447 189046203 /nfs/dbraw/zinc/04/62/03/189046203.db2.gz GIWANYZZCMQJNX-HNNXBMFYSA-N 0 3 293.386 2.451 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000177767136 189068130 /nfs/dbraw/zinc/06/81/30/189068130.db2.gz JWTOXNLIWLCZAM-CVEARBPZSA-N 0 3 278.371 2.029 10 0 CEAEHN C[C@H](CS(C)(=O)=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000081900135 363745376 /nfs/dbraw/zinc/74/53/76/363745376.db2.gz ASOFLZOOWCLAOA-KXUCPTDWSA-N 0 3 287.347 2.130 10 0 CEAEHN O=C(/C=C/c1ccc(Cl)nc1)N1CCN2CCC[C@H]2C1 ZINC000179343034 189187479 /nfs/dbraw/zinc/18/74/79/189187479.db2.gz GQTUNSUONWVEOX-BPJJOFIESA-N 0 3 291.782 2.055 10 0 CEAEHN N[C@H](C(=O)N[C@@H]1CCCc2ccccc21)C1CCC1 ZINC000335595786 283612394 /nfs/dbraw/zinc/61/23/94/283612394.db2.gz PEZUSINJHWHBLJ-CABCVRRESA-N 0 3 258.365 2.308 10 0 CEAEHN CC[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccc(OC)cc1 ZINC000180335062 189250399 /nfs/dbraw/zinc/25/03/99/189250399.db2.gz RKVDAHUFMVMBBE-GDBMZVCRSA-N 0 3 290.407 2.351 10 0 CEAEHN COc1ccc([C@H](C)N[C@H]2CCc3ncnn3C2)c(F)c1 ZINC000180605337 189265325 /nfs/dbraw/zinc/26/53/25/189265325.db2.gz RFVLNEDWJPVOOH-QWRGUYRKSA-N 0 3 290.342 2.091 10 0 CEAEHN CCC[C@H](N)C(=O)N(C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000237036505 370682080 /nfs/dbraw/zinc/68/20/80/370682080.db2.gz PYCAZBNVOOCRKB-CJNGLKHVSA-N 0 3 292.423 2.460 10 0 CEAEHN [NH3+]Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000011849294 361366377 /nfs/dbraw/zinc/36/63/77/361366377.db2.gz NDDUZIYPJRJMKH-UHFFFAOYSA-N 0 3 280.324 2.085 10 0 CEAEHN COC(=O)[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000083798916 363787677 /nfs/dbraw/zinc/78/76/77/363787677.db2.gz VFOVKYLVBSMZND-CYBMUJFWSA-N 0 3 270.332 2.230 10 0 CEAEHN N[C@@H]1CCOc2ccc(I)cc21 ZINC000016082995 361483666 /nfs/dbraw/zinc/48/36/66/361483666.db2.gz IMWOQKPUSMKPEC-MRVPVSSYSA-N 0 3 275.089 2.074 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)N(C)Cc1ccccc1 ZINC000185849586 189423485 /nfs/dbraw/zinc/42/34/85/189423485.db2.gz AOPVHQLPFZDRLY-GDBMZVCRSA-N 0 3 287.407 2.407 10 0 CEAEHN CCn1nc(C)c([C@H](C)NC[C@H]2CCC[C@@H]2O)c1C ZINC000089165120 363944728 /nfs/dbraw/zinc/94/47/28/363944728.db2.gz URQGLMICIBYECF-GDLCADMTSA-N 0 3 265.401 2.331 10 0 CEAEHN CCn1cncc1CN[C@@H](CN(C)C)c1ccccc1 ZINC000090169962 364044976 /nfs/dbraw/zinc/04/49/76/364044976.db2.gz HCFLLTJFHKPFLR-INIZCTEOSA-N 0 3 272.396 2.296 10 0 CEAEHN Cc1cccc(NC[C@@H]2CCN(Cc3cc[nH]n3)C2)n1 ZINC000092813419 364109411 /nfs/dbraw/zinc/10/94/11/364109411.db2.gz WQPBJFPGHSZAMT-ZDUSSCGKSA-N 0 3 271.368 2.047 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1Cc1nccs1 ZINC000094448969 364275613 /nfs/dbraw/zinc/27/56/13/364275613.db2.gz CCMQMJVUNSXALY-NWDGAFQWSA-N 0 3 251.399 2.202 10 0 CEAEHN Cc1ccc([C@H](C)NC[C@@H](O)Cn2cccn2)cc1F ZINC000094955566 364315192 /nfs/dbraw/zinc/31/51/92/364315192.db2.gz GCHSUNIVSXHTSN-GXTWGEPZSA-N 0 3 277.343 2.042 10 0 CEAEHN CCOc1cc(N2CCN(C)C(C)(C)C2)ccc1N ZINC000096034547 364397537 /nfs/dbraw/zinc/39/75/37/364397537.db2.gz LPRRRKQDHRUJRN-UHFFFAOYSA-N 0 3 263.385 2.198 10 0 CEAEHN Nc1nccc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000156213372 366828667 /nfs/dbraw/zinc/82/86/67/366828667.db2.gz RUOYIAIJNPRFGT-CQSZACIVSA-N 0 3 283.379 2.135 10 0 CEAEHN CN(C)C[C@H](NC(=O)Cc1ccccc1O)c1ccccc1 ZINC000101629547 364568561 /nfs/dbraw/zinc/56/85/61/364568561.db2.gz CJTNYIMFQWKQMU-INIZCTEOSA-N 0 3 298.386 2.354 10 0 CEAEHN CN(CCN(C)c1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000107792082 364711539 /nfs/dbraw/zinc/71/15/39/364711539.db2.gz AKIIQHFZCLRYRI-MRXNPFEDSA-N 0 3 294.439 2.231 10 0 CEAEHN CCCCc1noc(CN2C[C@@H]3CCCN3C[C@@H]2C)n1 ZINC000113270299 364882637 /nfs/dbraw/zinc/88/26/37/364882637.db2.gz YFVWPHRZOZRRFR-STQMWFEESA-N 0 3 278.400 2.081 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC000115361886 365002896 /nfs/dbraw/zinc/00/28/96/365002896.db2.gz ZFZFNVMGHJUNIC-ZDUSSCGKSA-N 0 3 289.354 2.012 10 0 CEAEHN CCCC(C)(C)NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000116535584 365061495 /nfs/dbraw/zinc/06/14/95/365061495.db2.gz ZZRIEHHJJGETCL-GFCCVEGCSA-N 0 3 255.406 2.349 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCc2ccc(C)cc2)C1 ZINC000116535523 365062036 /nfs/dbraw/zinc/06/20/36/365062036.db2.gz UKFGHEDGLSSEHM-MRXNPFEDSA-N 0 3 289.423 2.321 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000117786613 365125584 /nfs/dbraw/zinc/12/55/84/365125584.db2.gz CTALCTGTNVFFTB-ZIAGYGMSSA-N 0 3 288.391 2.105 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2nc3ccccc3s2)C1 ZINC000119301088 365250043 /nfs/dbraw/zinc/25/00/43/365250043.db2.gz AHBSKBPJQNLZID-SNVBAGLBSA-N 0 3 275.377 2.072 10 0 CEAEHN COCOc1ccc(OC)cc1CN[C@@H]1C[C@@H]1C ZINC000119224165 365238784 /nfs/dbraw/zinc/23/87/84/365238784.db2.gz YDVXIGWCYMCKLA-GXFFZTMASA-N 0 3 251.326 2.176 10 0 CEAEHN COCc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000119500018 365282466 /nfs/dbraw/zinc/28/24/66/365282466.db2.gz RIWLWRYXJGBPOI-MRXNPFEDSA-N 0 3 286.379 2.262 10 0 CEAEHN Cc1ccccc1[C@H](C)N[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000119679482 365309851 /nfs/dbraw/zinc/30/98/51/365309851.db2.gz PWTUJYIPSXOUMF-NWDGAFQWSA-N 0 3 289.379 2.022 10 0 CEAEHN CCC[C@@H](C(=O)NCC1(CCOCC)CC1)N(C)C ZINC000120288984 365402273 /nfs/dbraw/zinc/40/22/73/365402273.db2.gz ZICAVTWWWYYSPK-ZDUSSCGKSA-N 0 3 270.417 2.040 10 0 CEAEHN CCc1cnc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)s1 ZINC000120743461 365469755 /nfs/dbraw/zinc/46/97/55/365469755.db2.gz VRBYQVIRGBCRRA-WDEREUQCSA-N 0 3 294.424 2.406 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccc(Cl)cn1 ZINC000282502180 299359995 /nfs/dbraw/zinc/35/99/95/299359995.db2.gz YGFQWAKPYMQECL-HOTUBEGUSA-N 0 3 267.760 2.053 10 0 CEAEHN C[C@@H](O)CN1CCN(Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000120667118 365457023 /nfs/dbraw/zinc/45/70/23/365457023.db2.gz GLZRXZBNNWYJPU-UONOGXRCSA-N 0 3 287.407 2.055 10 0 CEAEHN CCC[C@@H](N)C(=O)N(CC)C[C@H](O)c1ccc(C)cc1 ZINC000161953738 367124888 /nfs/dbraw/zinc/12/48/88/367124888.db2.gz FDXIPADSSJNTHL-CABCVRRESA-N 0 3 278.396 2.004 10 0 CEAEHN CCC[C@H](C(=O)N[C@H]1C[C@H](OCC)C12CCC2)N(C)C ZINC000162282363 367150152 /nfs/dbraw/zinc/15/01/52/367150152.db2.gz JHVSNOUQLCEUJT-RDBSUJKOSA-N 0 3 282.428 2.181 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1ncc(CC)s1)N(C)C ZINC000162336693 367152393 /nfs/dbraw/zinc/15/23/93/367152393.db2.gz LPMYGDUIEMHPKF-LBPRGKRZSA-N 0 3 283.441 2.095 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000245473457 370826671 /nfs/dbraw/zinc/82/66/71/370826671.db2.gz QAJNZTNPNIFCET-HZPDHXFCSA-N 0 3 297.487 2.436 10 0 CEAEHN CCSCC[C@H](C)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000245499890 370829498 /nfs/dbraw/zinc/82/94/98/370829498.db2.gz ZAXKFKIWQGYSFO-STQMWFEESA-N 0 3 285.457 2.008 10 0 CEAEHN Cc1ccc(C[C@@H](C)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000245517623 370832169 /nfs/dbraw/zinc/83/21/69/370832169.db2.gz HAERIBLOOSNUML-WBVHZDCISA-N 0 3 286.419 2.480 10 0 CEAEHN Cc1cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)ccc1F ZINC000245687004 370857113 /nfs/dbraw/zinc/85/71/13/370857113.db2.gz ASXGDORNJZCOFX-UONOGXRCSA-N 0 3 280.387 2.021 10 0 CEAEHN CCc1noc(C)c1NC(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000245695259 370858592 /nfs/dbraw/zinc/85/85/92/370858592.db2.gz BBMORERJNXJTAD-ZYHUDNBSSA-N 0 3 292.383 2.246 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCSc2ccccc2)C1 ZINC000170826678 367426706 /nfs/dbraw/zinc/42/67/06/367426706.db2.gz ZIDYPDSBFQQCKE-CYBMUJFWSA-N 0 3 293.436 2.124 10 0 CEAEHN C[C@@H](Cc1cccs1)NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170830083 367427270 /nfs/dbraw/zinc/42/72/70/367427270.db2.gz DXQZLKGBZFXJBO-NWDGAFQWSA-N 0 3 281.425 2.025 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000171083876 367474177 /nfs/dbraw/zinc/47/41/77/367474177.db2.gz VFOJVONGRYYNFT-AWEZNQCLSA-N 0 3 289.379 2.179 10 0 CEAEHN CC(C)c1nc(C(=O)N2CCN3CCC[C@H]3C2)cs1 ZINC000171089937 367475933 /nfs/dbraw/zinc/47/59/33/367475933.db2.gz PPDVEIGRUWTWQE-NSHDSACASA-N 0 3 279.409 2.187 10 0 CEAEHN CC[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000170856164 367432061 /nfs/dbraw/zinc/43/20/61/367432061.db2.gz MMDSLOJQNARJEV-CABCVRRESA-N 0 3 260.381 2.343 10 0 CEAEHN CC(C)N(C)CC(=O)N[C@H](C)COCc1ccccc1 ZINC000172957684 367847507 /nfs/dbraw/zinc/84/75/07/367847507.db2.gz RXVKGOQNMQMWEH-CQSZACIVSA-N 0 3 278.396 2.048 10 0 CEAEHN C[C@@H](NC[C@H](C)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000173306962 367895066 /nfs/dbraw/zinc/89/50/66/367895066.db2.gz JAHQATDBNBFIGV-NWDGAFQWSA-N 0 3 284.350 2.336 10 0 CEAEHN CSCCN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000174240343 368001203 /nfs/dbraw/zinc/00/12/03/368001203.db2.gz GQFGTZQXODHGMZ-NSHDSACASA-N 0 3 274.430 2.339 10 0 CEAEHN Cc1cccc([C@@H](C)N[C@@H]2CCc3ncnn3C2)c1 ZINC000174084889 367979898 /nfs/dbraw/zinc/97/98/98/367979898.db2.gz ARRYLRLUAIZETI-TZMCWYRMSA-N 0 3 256.353 2.252 10 0 CEAEHN CCCc1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)[nH]n1 ZINC000175042127 368092529 /nfs/dbraw/zinc/09/25/29/368092529.db2.gz LVTXWLUCVNNCFI-UONOGXRCSA-N 0 3 290.411 2.061 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cccs1 ZINC000176367621 368229923 /nfs/dbraw/zinc/22/99/23/368229923.db2.gz QRYKZVVZXSHEQN-GFCCVEGCSA-N 0 3 281.425 2.374 10 0 CEAEHN CCCCCS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000184731556 368715469 /nfs/dbraw/zinc/71/54/69/368715469.db2.gz PERNVTVXCSOGER-CQSZACIVSA-N 0 3 290.473 2.216 10 0 CEAEHN CC(C)C[C@@H](C)CC(=O)N1CCN2CCC[C@H]2C1 ZINC000246214889 370928975 /nfs/dbraw/zinc/92/89/75/370928975.db2.gz PBNWHYIOQPXSEW-KGLIPLIRSA-N 0 3 252.402 2.365 10 0 CEAEHN Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@H]2C)N(C)C)cc1 ZINC000246142329 370914562 /nfs/dbraw/zinc/91/45/62/370914562.db2.gz RKTAYGHSYAXDQI-SNPRPXQTSA-N 0 3 275.396 2.305 10 0 CEAEHN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1Cc1ncccn1 ZINC000346699195 368779402 /nfs/dbraw/zinc/77/94/02/368779402.db2.gz CAQUGRVXEUTZFK-LZWOXQAQSA-N 0 3 275.396 2.382 10 0 CEAEHN O=S1(=O)CCC[C@@H](N[C@H]2CCc3ccccc32)CC1 ZINC000634950811 368985726 /nfs/dbraw/zinc/98/57/26/368985726.db2.gz DEFJVQQMOBXXSK-HIFRSBDPSA-N 0 3 279.405 2.231 10 0 CEAEHN COCC1=CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000187692944 369204274 /nfs/dbraw/zinc/20/42/74/369204274.db2.gz XCMOFOFIVJMLIU-MRXNPFEDSA-N 0 3 261.365 2.173 10 0 CEAEHN CCC[C@H](C(=O)NCC[C@](C)(O)c1ccccc1)N(C)C ZINC000188944108 369432735 /nfs/dbraw/zinc/43/27/35/369432735.db2.gz XQVRRLVBHURYFA-WBVHZDCISA-N 0 3 292.423 2.131 10 0 CEAEHN FC(F)COCCN1CC[C@H](CNc2ccccn2)C1 ZINC000189367404 369506402 /nfs/dbraw/zinc/50/64/02/369506402.db2.gz KGVDLCQGEYSETP-GFCCVEGCSA-N 0 3 285.338 2.097 10 0 CEAEHN C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000246445810 370962420 /nfs/dbraw/zinc/96/24/20/370962420.db2.gz MIBOMQOAFJIEFF-XJKSGUPXSA-N 0 3 294.826 2.493 10 0 CEAEHN O=C(Cc1cnc2ccccc2c1)N1CCN2CCC[C@@H]2C1 ZINC000189724053 369564046 /nfs/dbraw/zinc/56/40/46/369564046.db2.gz DWNRACBYECEAHG-MRXNPFEDSA-N 0 3 295.386 2.084 10 0 CEAEHN Cc1cccc(NC[C@H]2CCN(Cc3ccnc(N)c3)C2)n1 ZINC000191504353 369719749 /nfs/dbraw/zinc/71/97/49/369719749.db2.gz CQQGBOVNWVOHFF-OAHLLOKOSA-N 0 3 297.406 2.301 10 0 CEAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2cocn2)C1 ZINC000191980169 369759813 /nfs/dbraw/zinc/75/98/13/369759813.db2.gz PIFFLQDUXCHNQQ-OAHLLOKOSA-N 0 3 286.379 2.024 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([O-])c1 ZINC000191650690 369731231 /nfs/dbraw/zinc/73/12/31/369731231.db2.gz UEKRHEIKYFQXJD-GXTWGEPZSA-N 0 3 288.391 2.263 10 0 CEAEHN CCc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c([O-])c1 ZINC000191650690 369731234 /nfs/dbraw/zinc/73/12/34/369731234.db2.gz UEKRHEIKYFQXJD-GXTWGEPZSA-N 0 3 288.391 2.263 10 0 CEAEHN COc1ccc(CN(C)[C@H]2CCC[C@@H]2O)cc1F ZINC000352666755 369823939 /nfs/dbraw/zinc/82/39/39/369823939.db2.gz IGXQNEYVEMERNE-STQMWFEESA-N 0 3 253.317 2.180 10 0 CEAEHN CCCCOC[C@H](O)CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000193366763 369933330 /nfs/dbraw/zinc/93/33/30/369933330.db2.gz OBWUXSOYBQRYSC-TZMCWYRMSA-N 0 3 295.379 2.244 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000246737592 371002714 /nfs/dbraw/zinc/00/27/14/371002714.db2.gz AWJYOJNWVYMNHI-VHSXEESVSA-N 0 3 270.760 2.392 10 0 CEAEHN COCCCCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246769644 371007889 /nfs/dbraw/zinc/00/78/89/371007889.db2.gz VAQDVXDKSHNVTH-MCIONIFRSA-N 0 3 269.385 2.219 10 0 CEAEHN O[C@@H](CN1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000246885294 371025928 /nfs/dbraw/zinc/02/59/28/371025928.db2.gz VAPGOEWHBWXNDT-SJORKVTESA-N 0 3 284.359 2.268 10 0 CEAEHN C[C@@H](c1ccccc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246925896 371032052 /nfs/dbraw/zinc/03/20/52/371032052.db2.gz JEAPGGMTGADLRZ-GOEBONIOSA-N 0 3 260.381 2.154 10 0 CEAEHN C[C@@H](CN1CCN(C[C@H](C)O)[C@H](C)C1)c1ccccc1 ZINC000246956624 371037820 /nfs/dbraw/zinc/03/78/20/371037820.db2.gz DCDWKJPDRJUEIN-XHSDSOJGSA-N 0 3 276.424 2.177 10 0 CEAEHN COc1ccccc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247001097 371043850 /nfs/dbraw/zinc/04/38/50/371043850.db2.gz GWMPNUSQFHPANN-GXTWGEPZSA-N 0 3 276.380 2.154 10 0 CEAEHN CCc1nccn1[C@H]1CCCN(C[C@H]2CCCO2)C1 ZINC000247010796 371045087 /nfs/dbraw/zinc/04/50/87/371045087.db2.gz CDVKOHLHYKTFPZ-UONOGXRCSA-N 0 3 263.385 2.261 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)CSc2ccncc2)C1 ZINC000247045087 371054026 /nfs/dbraw/zinc/05/40/26/371054026.db2.gz IDKRUHWWCLNCJG-GXTWGEPZSA-N 0 3 293.436 2.019 10 0 CEAEHN Cc1cnn([C@H]2CCCN(C[C@@H](O)Cc3ccccc3)C2)c1 ZINC000247041527 371054342 /nfs/dbraw/zinc/05/43/42/371054342.db2.gz DTFUSUFCVLSSOU-ROUUACIJSA-N 0 3 299.418 2.432 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC000247392970 371102635 /nfs/dbraw/zinc/10/26/35/371102635.db2.gz QNBRODDETZEUGD-SMDDNHRTSA-N 0 3 264.344 2.284 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC000247446116 371108916 /nfs/dbraw/zinc/10/89/16/371108916.db2.gz SJOCYXMXLRRVSD-MQYQWHSLSA-N 0 3 279.428 2.013 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000247455342 371110691 /nfs/dbraw/zinc/11/06/91/371110691.db2.gz TWHLVZWUVNMCSJ-IINYFYTJSA-N 0 3 282.334 2.423 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC000247506894 371119094 /nfs/dbraw/zinc/11/90/94/371119094.db2.gz VJWWBUHZHBHBOA-RDBSUJKOSA-N 0 3 252.402 2.413 10 0 CEAEHN O=C(NC[C@H]1CCc2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000247598862 371129391 /nfs/dbraw/zinc/12/93/91/371129391.db2.gz TXNXBWXTDRFJTN-CVEARBPZSA-N 0 3 299.418 2.206 10 0 CEAEHN C[C@@H](Cc1ccccc1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000248585225 371217404 /nfs/dbraw/zinc/21/74/04/371217404.db2.gz PUUBBSNAEFBJLI-FUHWJXTLSA-N 0 3 299.418 2.463 10 0 CEAEHN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCO1 ZINC000248604998 371220940 /nfs/dbraw/zinc/22/09/40/371220940.db2.gz VFHSZNLMXIVFRP-KBUPBQIOSA-N 0 3 282.428 2.037 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ncc(F)cc1F ZINC000248655406 371231850 /nfs/dbraw/zinc/23/18/50/371231850.db2.gz DAFRCKVKEIYCJR-NEPJUHHUSA-N 0 3 295.333 2.059 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1CCO[C@H]1CCCCO1 ZINC000248755801 371242711 /nfs/dbraw/zinc/24/27/11/371242711.db2.gz HZAQUTQAPXFUQX-HOTGVXAUSA-N 0 3 293.411 2.199 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000248853531 371255234 /nfs/dbraw/zinc/25/52/34/371255234.db2.gz JWLMNVYZNXFRKH-RRFJBIMHSA-N 0 3 284.444 2.475 10 0 CEAEHN Cc1ccc(O[C@H](C)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000249833846 371365524 /nfs/dbraw/zinc/36/55/24/371365524.db2.gz QFOSQABZDDDXLG-CABCVRRESA-N 0 3 288.391 2.069 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1nnc(-c2ccccc2)o1 ZINC000252443572 371438029 /nfs/dbraw/zinc/43/80/29/371438029.db2.gz CZTDICXASUNOMN-HIFRSBDPSA-N 0 3 298.390 2.405 10 0 CEAEHN O[C@]12CCCC[C@H]1CN(Cc1cnc3ccccn13)CC2 ZINC000252653156 371462427 /nfs/dbraw/zinc/46/24/27/371462427.db2.gz RKACTEMXZVYXCD-YOEHRIQHSA-N 0 3 285.391 2.461 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1 ZINC000253359083 371510198 /nfs/dbraw/zinc/51/01/98/371510198.db2.gz BYRLWHQNCVADFR-HIFRSBDPSA-N 0 3 290.411 2.268 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@@H](N)C1CCOCC1 ZINC000261788644 371732575 /nfs/dbraw/zinc/73/25/75/371732575.db2.gz NKMCVRRJCGCKAW-NFAWXSAZSA-N 0 3 282.428 2.073 10 0 CEAEHN C[C@H]1CCCC[C@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263482979 371937630 /nfs/dbraw/zinc/93/76/30/371937630.db2.gz GRFTVLIQBBKVSO-HOJRLLLISA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H]1CCCC[C@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482979 371937633 /nfs/dbraw/zinc/93/76/33/371937633.db2.gz GRFTVLIQBBKVSO-HOJRLLLISA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H]1CCCC[C@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263482979 371937639 /nfs/dbraw/zinc/93/76/39/371937639.db2.gz GRFTVLIQBBKVSO-HOJRLLLISA-N 0 3 294.439 2.482 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000262701057 371899345 /nfs/dbraw/zinc/89/93/45/371899345.db2.gz ICPZUOCBFXMOQX-MISXGVKJSA-N 0 3 266.385 2.399 10 0 CEAEHN COc1c(CN[C@@H]2CCCC(F)(F)C2)c(C)nn1C ZINC000344801583 217316161 /nfs/dbraw/zinc/31/61/61/217316161.db2.gz XKPNSXPPFNKKQQ-SNVBAGLBSA-N 0 3 273.327 2.405 10 0 CEAEHN CC[C@H](NC(=O)[C@@H]1CNCCOC1)c1cccc(Cl)c1 ZINC000643633809 373227058 /nfs/dbraw/zinc/22/70/58/373227058.db2.gz SADWQBXEMRCEOU-OCCSQVGLSA-N 0 3 296.798 2.143 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1csc(Cl)n1 ZINC000274517981 373949012 /nfs/dbraw/zinc/94/90/12/373949012.db2.gz RSCDDBGPQZRMEU-IUCAKERBSA-N 0 3 285.800 2.105 10 0 CEAEHN C[C@@H]1[C@@H](O)CCCN1CCOc1ccc(F)cc1 ZINC000384938579 375222858 /nfs/dbraw/zinc/22/28/58/375222858.db2.gz UBYYGJKWWBUPQL-RISCZKNCSA-N 0 3 253.317 2.050 10 0 CEAEHN CCN1CC[C@@H](NCc2cc(Cl)cc3c2OCC3)C1 ZINC000389317169 375303935 /nfs/dbraw/zinc/30/39/35/375303935.db2.gz GUHWONGOUJVHDE-CQSZACIVSA-N 0 3 280.799 2.459 10 0 CEAEHN O=c1ccc(CN[C@H]2CCOc3ccccc32)c[nH]1 ZINC000392859712 375323791 /nfs/dbraw/zinc/32/37/91/375323791.db2.gz TYKYPTWRDWZQET-ZDUSSCGKSA-N 0 3 256.305 2.401 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cnc(C)o1 ZINC000398062076 375346906 /nfs/dbraw/zinc/34/69/06/375346906.db2.gz KLBQPGMBURIVMK-UONOGXRCSA-N 0 3 263.385 2.432 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1cccc(C(F)F)c1 ZINC000282268426 375443368 /nfs/dbraw/zinc/44/33/68/375443368.db2.gz HMKIADANPLWETF-BXKDBHETSA-N 0 3 268.307 2.381 10 0 CEAEHN CCOc1ccc(OCCN2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000296236138 378462194 /nfs/dbraw/zinc/46/21/94/378462194.db2.gz NIHQUMOVAOCLPM-XJKSGUPXSA-N 0 3 279.380 2.309 10 0 CEAEHN OCC[C@H]1CSCCN1C[C@@H]1Cc2ccccc21 ZINC000347051497 218106262 /nfs/dbraw/zinc/10/62/62/218106262.db2.gz KLRUGXZZBXLVHN-KBPBESRZSA-N 0 3 263.406 2.126 10 0 CEAEHN CC(C)[C@H]1CNCCN1c1cncc(Br)c1 ZINC000301014190 379181682 /nfs/dbraw/zinc/18/16/82/379181682.db2.gz YFNPEJNHJNUMGX-GFCCVEGCSA-N 0 3 284.201 2.278 10 0 CEAEHN CC(C)NCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000574585320 299509817 /nfs/dbraw/zinc/50/98/17/299509817.db2.gz SRISJZQRKFYKIG-NSHDSACASA-N 0 3 267.398 2.195 10 0 CEAEHN CCN1CC[C@@H](NC(=O)c2ccccc2Br)C1 ZINC000334578579 380629232 /nfs/dbraw/zinc/62/92/32/380629232.db2.gz KCWGHQQRNDKMLW-SNVBAGLBSA-N 0 3 297.196 2.273 10 0 CEAEHN C[C@H](NCC(=O)N(C)CC1CC1)c1cccs1 ZINC000182544935 542282239 /nfs/dbraw/zinc/28/22/39/542282239.db2.gz MHALCJKHUARUCC-JTQLQIEISA-N 0 3 252.383 2.267 10 0 CEAEHN C[C@@H](NCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCO1 ZINC000183106856 542287336 /nfs/dbraw/zinc/28/73/36/542287336.db2.gz HCUHSGUWBRYXHA-RNCFNFMXSA-N 0 3 284.306 2.060 10 0 CEAEHN C[C@H](NCC(=O)N(C)C1CCC(C)CC1)[C@H]1CCCO1 ZINC000183119045 542287873 /nfs/dbraw/zinc/28/78/73/542287873.db2.gz CFYYTAOQEHWIPP-OOJKYFRXSA-N 0 3 282.428 2.181 10 0 CEAEHN NCc1cccc(N2CCC[C@@H]2c2cccnc2)n1 ZINC000081595332 177828569 /nfs/dbraw/zinc/82/85/69/177828569.db2.gz LWTSPFJGSVLOBC-CQSZACIVSA-N 0 3 254.337 2.277 10 0 CEAEHN CCO[C@H](C)[C@H](NC)c1cc(OC)ccc1OC ZINC000080743599 177697275 /nfs/dbraw/zinc/69/72/75/177697275.db2.gz JBTVSJOKZHPVGY-YGRLFVJLSA-N 0 3 253.342 2.389 10 0 CEAEHN Cc1cc(N2CCC[C@@H](NCc3ccccc3)C2=O)n(C)n1 ZINC000080526640 177663586 /nfs/dbraw/zinc/66/35/86/177663586.db2.gz SEACCMCNSKVXEO-OAHLLOKOSA-N 0 3 298.390 2.014 10 0 CEAEHN O=C([O-])[C@@]1(NC2CC2)CC[C@@H]([NH+]2CCCCCCC2)C1 ZINC000093822508 184725937 /nfs/dbraw/zinc/72/59/37/184725937.db2.gz HOZAHSZXIZOPHN-GDBMZVCRSA-N 0 3 280.412 2.380 10 0 CEAEHN Cc1c(CN[C@@H](CN(C)C)c2ccccc2)cnn1C ZINC000093649299 184701822 /nfs/dbraw/zinc/70/18/22/184701822.db2.gz KCAODSDFJXLTEL-INIZCTEOSA-N 0 3 272.396 2.121 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(OC)c(O)c2)[C@@H](CC)CN1 ZINC000094067067 184753641 /nfs/dbraw/zinc/75/36/41/184753641.db2.gz MEDOPEZLEKFELN-OLZOCXBDSA-N 0 3 292.379 2.003 10 0 CEAEHN COc1cc(F)c([C@@H](N)[C@@]2(C)CCCO2)cc1OC ZINC000094788807 184864803 /nfs/dbraw/zinc/86/48/03/184864803.db2.gz MWNVNFHVXSVBQE-ZIAGYGMSSA-N 0 3 269.316 2.412 10 0 CEAEHN CC(C)(C)N1CCN(Cc2nc3c(cccc3N)o2)CC1 ZINC000094542225 184815182 /nfs/dbraw/zinc/81/51/82/184815182.db2.gz RTIBYOMFXPBBAR-UHFFFAOYSA-N 0 3 288.395 2.326 10 0 CEAEHN C[C@@H](N)c1ccccc1O[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634405 184830930 /nfs/dbraw/zinc/83/09/30/184830930.db2.gz SALRBZFHUZKNAZ-AGIUHOORSA-N 0 3 297.420 2.441 10 0 CEAEHN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000262115131 131192131 /nfs/dbraw/zinc/19/21/31/131192131.db2.gz IHFVMMRBAJSGNI-BPNCWPANSA-N 0 3 282.359 2.001 10 0 CEAEHN C[C@H]1CN(c2ccc(F)cc2Br)CCN1 ZINC000083061214 135014137 /nfs/dbraw/zinc/01/41/37/135014137.db2.gz FZMFJELQTTZGLE-QMMMGPOBSA-N 0 3 273.149 2.386 10 0 CEAEHN CC(C)C[C@@](C)(O)CN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000090267329 135063096 /nfs/dbraw/zinc/06/30/96/135063096.db2.gz SEEFGTZMOFIGQL-WMLDXEAASA-N 0 3 290.407 2.481 10 0 CEAEHN CNCc1cncc(N2CCc3sccc3[C@H]2C)n1 ZINC000091419860 135069355 /nfs/dbraw/zinc/06/93/55/135069355.db2.gz DNRHIMYEAIMCQL-SNVBAGLBSA-N 0 3 274.393 2.381 10 0 CEAEHN N[C@@H]1Cc2ccccc2N(C(=O)c2ccncc2Cl)C1 ZINC000091457078 135070322 /nfs/dbraw/zinc/07/03/22/135070322.db2.gz GFUINORKMSVXRY-LLVKDONJSA-N 0 3 287.750 2.265 10 0 CEAEHN C[C@@H](O)c1ccc(N2CCN3CCCC[C@@H]3C2)cc1 ZINC000094439815 135087762 /nfs/dbraw/zinc/08/77/62/135087762.db2.gz BNNVUBDEPZJECA-CZUORRHYSA-N 0 3 260.381 2.414 10 0 CEAEHN CNCc1nc(N2CCN3CCCC[C@@H]3C2)ccc1Cl ZINC000094443207 135088929 /nfs/dbraw/zinc/08/89/29/135088929.db2.gz YHNUXLCNUZQWDI-GFCCVEGCSA-N 0 3 294.830 2.129 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H]2C[C@]23CCc2ccccc23)C1 ZINC000246761090 394521380 /nfs/dbraw/zinc/52/13/80/394521380.db2.gz QMHQYXFALWYWFN-WDYCEAGBSA-N 0 3 298.430 2.491 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2cccs2)C1 ZINC000048732521 394525678 /nfs/dbraw/zinc/52/56/78/394525678.db2.gz QJEUFYZLPXSTSN-NSHDSACASA-N 0 3 267.398 2.032 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000247063600 394526321 /nfs/dbraw/zinc/52/63/21/394526321.db2.gz IQZSQVZGNDZGSM-MRLBHPIUSA-N 0 3 264.413 2.268 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCCC3(CC3)C2)C1 ZINC000248717552 394546348 /nfs/dbraw/zinc/54/63/48/394546348.db2.gz NVVVCFGETGYHQF-ZIAGYGMSSA-N 0 3 279.428 2.301 10 0 CEAEHN Cc1cccc([C@@H](C)CNC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000121072990 394791940 /nfs/dbraw/zinc/79/19/40/394791940.db2.gz LKZIYKCYCSSFDA-HOCLYGCPSA-N 0 3 289.423 2.444 10 0 CEAEHN CC[C@H]1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000122410800 394813653 /nfs/dbraw/zinc/81/36/53/394813653.db2.gz UEOFJPSUZXNRSL-UONOGXRCSA-N 0 3 269.433 2.404 10 0 CEAEHN Fc1ccccc1CCN1CCC[C@H](n2cncn2)C1 ZINC000137589633 394972504 /nfs/dbraw/zinc/97/25/04/394972504.db2.gz ZJHDHZBXCBVXQB-AWEZNQCLSA-N 0 3 274.343 2.297 10 0 CEAEHN Fc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2ncnn2C1 ZINC000180605472 395204997 /nfs/dbraw/zinc/20/49/97/395204997.db2.gz DATCQENWQNGASI-TZMCWYRMSA-N 0 3 272.327 2.009 10 0 CEAEHN Cc1cc(CN2C[C@@H]3CCCN3C[C@H]2C)sn1 ZINC000404316402 395280749 /nfs/dbraw/zinc/28/07/49/395280749.db2.gz OPRRNQBCYYBLAI-NEPJUHHUSA-N 0 3 251.399 2.120 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCc2cccc(OC)c2)C1 ZINC000194645024 395444930 /nfs/dbraw/zinc/44/49/30/395444930.db2.gz HYHGUWQQASLPTK-OAHLLOKOSA-N 0 3 290.407 2.228 10 0 CEAEHN N[C@]1(c2ccns2)CCN(Cc2ccccc2)C1 ZINC000575451606 395664410 /nfs/dbraw/zinc/66/44/10/395664410.db2.gz SVSUCDCHSBLSCT-CQSZACIVSA-N 0 3 259.378 2.203 10 0 CEAEHN CC(C)COc1ccc([C@@H](C)NCCC(N)=O)cc1 ZINC000036746865 400111427 /nfs/dbraw/zinc/11/14/27/400111427.db2.gz YSEIWUXIHPFNES-GFCCVEGCSA-N 0 3 264.369 2.247 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000037046183 400114169 /nfs/dbraw/zinc/11/41/69/400114169.db2.gz FJBMUUXJUCBYRU-FZMZJTMJSA-N 0 3 264.369 2.390 10 0 CEAEHN CCN1CC[C@H](Nc2ncc(Br)cc2F)C1 ZINC000389301534 400536758 /nfs/dbraw/zinc/53/67/58/400536758.db2.gz ZSQBBXWWSGLLLK-VIFPVBQESA-N 0 3 288.164 2.489 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN1CCC([C@H]2CCCO2)CC1 ZINC000189170074 153083702 /nfs/dbraw/zinc/08/37/02/153083702.db2.gz JVLMIZXWKULINP-LSDHHAIUSA-N 0 3 285.428 2.053 10 0 CEAEHN C[C@H]1OCCC[C@@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000189858090 153111180 /nfs/dbraw/zinc/11/11/80/153111180.db2.gz FPZKCXQZWKALGY-CABCVRRESA-N 0 3 296.455 2.382 10 0 CEAEHN CC(C)=CCNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000191119610 153160794 /nfs/dbraw/zinc/16/07/94/153160794.db2.gz HRWIKXDXIGKKPG-CYBMUJFWSA-N 0 3 255.406 2.228 10 0 CEAEHN Cc1csc([C@@H]2CCCN(CCN3CCCC3=O)C2)n1 ZINC000195322721 153280197 /nfs/dbraw/zinc/28/01/97/153280197.db2.gz GQVHNVZETQRYDM-CYBMUJFWSA-N 0 3 293.436 2.253 10 0 CEAEHN O=C(c1ccc2c(c1)CCCC2)N1CCN2CCC[C@@H]2C1 ZINC000195319500 153280349 /nfs/dbraw/zinc/28/03/49/153280349.db2.gz ABICMMWCPHVDNW-QGZVFWFLSA-N 0 3 284.403 2.486 10 0 CEAEHN CCCCS[C@@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195336560 153289454 /nfs/dbraw/zinc/28/94/54/153289454.db2.gz PSCSVXDGGUSCKG-QWHCGFSZSA-N 0 3 270.442 2.215 10 0 CEAEHN CCCCCCNC(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195505903 153290930 /nfs/dbraw/zinc/29/09/30/153290930.db2.gz IXDWUHGATPSNIX-UHFFFAOYSA-N 0 3 292.427 2.286 10 0 CEAEHN OCC[C@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000227573839 153348377 /nfs/dbraw/zinc/34/83/77/153348377.db2.gz KPTNUENQYFDCCV-CYBMUJFWSA-N 0 3 256.349 2.439 10 0 CEAEHN C[C@@H](O)C[C@@H](C)NCc1cnn(-c2ccccc2)c1 ZINC000228076112 153355537 /nfs/dbraw/zinc/35/55/37/153355537.db2.gz VJBYGDCXNABKJA-CHWSQXEVSA-N 0 3 259.353 2.121 10 0 CEAEHN CCc1ccc([C@H](C)NC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261894062 153872519 /nfs/dbraw/zinc/87/25/19/153872519.db2.gz VWRQGNOKSMSEFF-BLLLJJGKSA-N 0 3 290.407 2.180 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2cccc3ccccc32)n1 ZINC000263269652 154046255 /nfs/dbraw/zinc/04/62/55/154046255.db2.gz SANFZEHXTFTYGT-HNNXBMFYSA-N 0 3 294.358 2.466 10 0 CEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(N[C@H]2CC[C@@H]2C2CC2)C1 ZINC000263529549 154116814 /nfs/dbraw/zinc/11/68/14/154116814.db2.gz VSBWFIQHKYFDLZ-FJBKBRRZSA-N 0 3 292.423 2.092 10 0 CEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(N[C@H]2CC[C@@H]2C2CC2)C1 ZINC000263529549 154116818 /nfs/dbraw/zinc/11/68/18/154116818.db2.gz VSBWFIQHKYFDLZ-FJBKBRRZSA-N 0 3 292.423 2.092 10 0 CEAEHN Cc1ccccc1[C@H](C)NCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000155921987 162307776 /nfs/dbraw/zinc/30/77/76/162307776.db2.gz OKGZPQVGTXAWKQ-ZNMIVQPWSA-N 0 3 290.407 2.281 10 0 CEAEHN CCn1nc(C)c([C@H](C)NCC2(CCO)CC2)c1C ZINC000157513483 162310278 /nfs/dbraw/zinc/31/02/78/162310278.db2.gz MLWUFJBGBBGCFM-NSHDSACASA-N 0 3 265.401 2.333 10 0 CEAEHN C[C@@H](c1cccc(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173940241 165092135 /nfs/dbraw/zinc/09/21/35/165092135.db2.gz QYNNFFSGPCFEII-BBRMVZONSA-N 0 3 278.371 2.293 10 0 CEAEHN CCC[C@@H](C)CS(=O)(=O)N(C)C[C@@H]1CCCN1CC ZINC000175399354 165133754 /nfs/dbraw/zinc/13/37/54/165133754.db2.gz QLCUCYMSKJPASL-KGLIPLIRSA-N 0 3 290.473 2.169 10 0 CEAEHN CCC1CCC(NC(=O)N(C)CCN(C)C)CC1 ZINC000176245026 165159435 /nfs/dbraw/zinc/15/94/35/165159435.db2.gz KQXJNNSNUQTVKO-UHFFFAOYSA-N 0 3 255.406 2.158 10 0 CEAEHN Fc1ccc(OCCN2CCN3CCCC[C@@H]3C2)cc1 ZINC000177759913 165205660 /nfs/dbraw/zinc/20/56/60/165205660.db2.gz BPVDXMZQXNXNGF-OAHLLOKOSA-N 0 3 278.371 2.375 10 0 CEAEHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1ncnn1C ZINC000178157524 165222975 /nfs/dbraw/zinc/22/29/75/165222975.db2.gz ZTIBYTZXVYZIGD-JHJVBQTASA-N 0 3 250.390 2.366 10 0 CEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)CCCOC ZINC000178416938 165240219 /nfs/dbraw/zinc/24/02/19/165240219.db2.gz CUIDUPTVOTYFNX-NWDGAFQWSA-N 0 3 266.389 2.080 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H]2CC23CCCCC3)C1 ZINC000180396639 165309361 /nfs/dbraw/zinc/30/93/61/165309361.db2.gz IKQNPGZHCXQWLM-ZIAGYGMSSA-N 0 3 279.428 2.493 10 0 CEAEHN CCc1nc2c(s1)[C@H](NC[C@H]1CN(C)CCO1)CCC2 ZINC000180501571 165313873 /nfs/dbraw/zinc/31/38/73/165313873.db2.gz QZMPXNSYSSLCKG-NWDGAFQWSA-N 0 3 295.452 2.003 10 0 CEAEHN CCc1nc2c(s1)[C@H](NC[C@@H]1CN(C)CCO1)CCC2 ZINC000180501530 165314004 /nfs/dbraw/zinc/31/40/04/165314004.db2.gz QZMPXNSYSSLCKG-VXGBXAGGSA-N 0 3 295.452 2.003 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC[C@@H]1CCCCO1 ZINC000181795952 165355819 /nfs/dbraw/zinc/35/58/19/165355819.db2.gz UPGVQOZYHZRURQ-CABCVRRESA-N 0 3 297.443 2.071 10 0 CEAEHN CCc1nc2n(n1)CCC[C@H]2N[C@@H](CCOC)C(C)C ZINC000182231078 165367153 /nfs/dbraw/zinc/36/71/53/165367153.db2.gz IPVJTVLBMHGUKI-QWHCGFSZSA-N 0 3 280.416 2.326 10 0 CEAEHN CCN1CCC[C@H](NC(=S)Nc2ccccc2)C1 ZINC000004774205 170015069 /nfs/dbraw/zinc/01/50/69/170015069.db2.gz WDGSTMYQKKBSCO-ZDUSSCGKSA-N 0 3 263.410 2.457 10 0 CEAEHN CNCC(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC000008549608 170339627 /nfs/dbraw/zinc/33/96/27/170339627.db2.gz WJRNUTCGISCBRO-UHFFFAOYSA-N 0 3 282.343 2.384 10 0 CEAEHN CO[C@@H]1C[C@@H](CO)N(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000284504950 196071976 /nfs/dbraw/zinc/07/19/76/196071976.db2.gz HLGICPSLAHZDKN-QWHCGFSZSA-N 0 3 289.297 2.287 10 0 CEAEHN CC(=O)NCCN[C@@H](C)c1ccccc1C(F)(F)F ZINC000020148829 171037030 /nfs/dbraw/zinc/03/70/30/171037030.db2.gz FVMRBCHBGMMQPV-VIFPVBQESA-N 0 3 274.286 2.492 10 0 CEAEHN CN1CCC(Nc2cccc(-c3nnco3)c2)CC1 ZINC000020187149 171051686 /nfs/dbraw/zinc/05/16/86/171051686.db2.gz PRJAEZWFSJVPSA-UHFFFAOYSA-N 0 3 258.325 2.243 10 0 CEAEHN [NH3+]CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020224444 171087109 /nfs/dbraw/zinc/08/71/09/171087109.db2.gz REZXTIRLOCBAHE-UHFFFAOYSA-N 0 3 294.351 2.128 10 0 CEAEHN NC[C@@H](c1ccc(F)cc1F)N1CCSCC1 ZINC000020257062 171111371 /nfs/dbraw/zinc/11/13/71/171111371.db2.gz RFGRDFBDWRDTGJ-LBPRGKRZSA-N 0 3 258.337 2.013 10 0 CEAEHN c1ccc2sc(CN[C@@H]3CN4CCC3CC4)nc2c1 ZINC000020309902 171143957 /nfs/dbraw/zinc/14/39/57/171143957.db2.gz CBZBXAKQFTZIEN-CYBMUJFWSA-N 0 3 273.405 2.480 10 0 CEAEHN [NH3+]Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000021960201 171342416 /nfs/dbraw/zinc/34/24/16/171342416.db2.gz GISUMJCDOBBCKN-UHFFFAOYSA-N 0 3 280.324 2.085 10 0 CEAEHN CCN1CCN([C@@H](CN)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000022171355 171368147 /nfs/dbraw/zinc/36/81/47/171368147.db2.gz QQVSWBGWKATTBR-MJBXVCDLSA-N 0 3 277.412 2.040 10 0 CEAEHN CN(C(=O)c1ccc(Cl)c(N)c1)C1CCN(C)CC1 ZINC000022175131 171370004 /nfs/dbraw/zinc/37/00/04/171370004.db2.gz OGQHEUAKYCINBE-UHFFFAOYSA-N 0 3 281.787 2.088 10 0 CEAEHN C[C@H]1CN([C@@H](CN)c2cccc(C(F)(F)F)c2)CCO1 ZINC000022222009 171378616 /nfs/dbraw/zinc/37/86/16/171378616.db2.gz DXGHJBSVXNUONK-GWCFXTLKSA-N 0 3 288.313 2.426 10 0 CEAEHN CN(CCc1ccncc1)[C@H](CN)c1ccccc1F ZINC000032048997 171691140 /nfs/dbraw/zinc/69/11/40/171691140.db2.gz HSMUBVGNDZKSFK-MRXNPFEDSA-N 0 3 273.355 2.395 10 0 CEAEHN Cc1sc2[nH]c(CN[C@H](C)C3CC3)nc(=O)c2c1C ZINC000035142374 172009479 /nfs/dbraw/zinc/00/94/79/172009479.db2.gz DBSYFVGBCZKXGU-MRVPVSSYSA-N 0 3 277.393 2.490 10 0 CEAEHN CCCN(C)c1nc2sccn2c1CNCC ZINC000035430171 172199390 /nfs/dbraw/zinc/19/93/90/172199390.db2.gz DYXWEWCESNKATO-UHFFFAOYSA-N 0 3 252.387 2.352 10 0 CEAEHN CN[C@H](c1cc(OC)ccc1OC)[C@@H]1CCCO1 ZINC000035466742 172214350 /nfs/dbraw/zinc/21/43/50/172214350.db2.gz GEOLBTYJAHCSEG-UONOGXRCSA-N 0 3 251.326 2.143 10 0 CEAEHN CN[C@H](c1ccsc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488330 172222771 /nfs/dbraw/zinc/22/27/71/172222771.db2.gz QLRGAUDHCSIFBS-LBPRGKRZSA-N 0 3 259.334 2.227 10 0 CEAEHN CN[C@H](CC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000035501780 172236555 /nfs/dbraw/zinc/23/65/55/172236555.db2.gz BIPIZYQDKUTXSH-SECBINFHSA-N 0 3 274.242 2.230 10 0 CEAEHN CCNC(=O)[C@@H](C)Oc1ccc(C)cc1[C@@H](C)NC ZINC000035629512 172309959 /nfs/dbraw/zinc/30/99/59/172309959.db2.gz OGRXOXABDYEWBZ-VXGBXAGGSA-N 0 3 264.369 2.179 10 0 CEAEHN C[C@@H](Oc1c(Cl)cc(Cl)cc1CN)C(=O)N(C)C ZINC000035661924 172339862 /nfs/dbraw/zinc/33/98/62/172339862.db2.gz ROVRWJHGKDDRHE-SSDOTTSWSA-N 0 3 291.178 2.308 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)c1ccco1 ZINC000035738321 172391389 /nfs/dbraw/zinc/39/13/89/172391389.db2.gz HBGVXURSXVGERL-YPMHNXCESA-N 0 3 258.321 2.027 10 0 CEAEHN C[C@H]1COCCN1[C@@H](CN)c1ccc(Cl)s1 ZINC000035774782 172410604 /nfs/dbraw/zinc/41/06/04/172410604.db2.gz CDIHFYFJACSQFT-IUCAKERBSA-N 0 3 260.790 2.122 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000036945042 172820697 /nfs/dbraw/zinc/82/06/97/172820697.db2.gz RIJMEJOVHHITLL-JSGCOSHPSA-N 0 3 267.394 2.223 10 0 CEAEHN CC(C)c1nn(C)cc1CN[C@H](C)[C@H]1CCCO1 ZINC000037243019 173058685 /nfs/dbraw/zinc/05/86/85/173058685.db2.gz BYDRHDLIPZNENJ-DGCLKSJQSA-N 0 3 251.374 2.201 10 0 CEAEHN COC(=O)CCN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000037252283 173064565 /nfs/dbraw/zinc/06/45/65/173064565.db2.gz RQVFXBIIGODXQW-CQSZACIVSA-N 0 3 251.301 2.430 10 0 CEAEHN COC1CCN([C@H](CN)c2ccc(C)s2)CC1 ZINC000037265911 173075119 /nfs/dbraw/zinc/07/51/19/173075119.db2.gz UGKCVNBENYGZTO-GFCCVEGCSA-N 0 3 254.399 2.167 10 0 CEAEHN CCOCCN[C@@H]1CCOc2ccc(OC)cc21 ZINC000037269317 173081028 /nfs/dbraw/zinc/08/10/28/173081028.db2.gz WSUOOTCEASQULY-CYBMUJFWSA-N 0 3 251.326 2.145 10 0 CEAEHN N[C@@H](c1cnn(-c2ccccc2)c1)c1cccnc1 ZINC000037308916 173111588 /nfs/dbraw/zinc/11/15/88/173111588.db2.gz FRXQWQKSFKRYAG-OAHLLOKOSA-N 0 3 250.305 2.315 10 0 CEAEHN Cc1ncsc1[C@@H](C)N[C@H](C)Cn1cccn1 ZINC000037320052 173119635 /nfs/dbraw/zinc/11/96/35/173119635.db2.gz WVEAFRLQYJVVIZ-MWLCHTKSSA-N 0 3 250.371 2.387 10 0 CEAEHN Cc1cccc(C(=O)CN(C)C2CCN(C)CC2)c1 ZINC000037333238 173134750 /nfs/dbraw/zinc/13/47/50/173134750.db2.gz BMMBGKUTWCLJAM-UHFFFAOYSA-N 0 3 260.381 2.204 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1cc(OC)ccc1OC ZINC000037386317 173168828 /nfs/dbraw/zinc/16/88/28/173168828.db2.gz BXQXDSOIWNSEMG-SNVBAGLBSA-N 0 3 266.341 2.030 10 0 CEAEHN CC(C)NCC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000037396015 173176704 /nfs/dbraw/zinc/17/67/04/173176704.db2.gz PPHWABSRXOSCCI-UHFFFAOYSA-N 0 3 266.307 2.222 10 0 CEAEHN CCn1c2cccc(F)c2nc1[C@H]1C[C@H](OC)CN1 ZINC000037442687 173211350 /nfs/dbraw/zinc/21/13/50/173211350.db2.gz IJYQTHOYSPPYHS-GXSJLCMTSA-N 0 3 263.316 2.245 10 0 CEAEHN CC(C)N[C@](C)(C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037446512 173213709 /nfs/dbraw/zinc/21/37/09/173213709.db2.gz QXGAATLWMPOBFP-HNNXBMFYSA-N 0 3 264.369 2.172 10 0 CEAEHN CCOc1cccc([C@H](CN)N2CCSCC2)c1 ZINC000037679050 173615493 /nfs/dbraw/zinc/61/54/93/173615493.db2.gz NDJDPQKMTYVXMB-AWEZNQCLSA-N 0 3 266.410 2.134 10 0 CEAEHN NCc1cc(NCc2c(F)ccc(Cl)c2F)ncn1 ZINC000039515631 174169271 /nfs/dbraw/zinc/16/92/71/174169271.db2.gz NMLUBNNSGVCDMC-UHFFFAOYSA-N 0 3 284.697 2.479 10 0 CEAEHN COC(=O)C[C@H](C)N[C@@H](C)c1sc(C)nc1C ZINC000040518625 174308035 /nfs/dbraw/zinc/30/80/35/174308035.db2.gz CERCSJIZHNOHSX-YUMQZZPRSA-N 0 3 256.371 2.362 10 0 CEAEHN CCC[C@@](C)(N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519135 174308500 /nfs/dbraw/zinc/30/85/00/174308500.db2.gz CSCQPQMETBGJGJ-TVQRCGJNSA-N 0 3 269.414 2.455 10 0 CEAEHN CCCCc1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2)cc1 ZINC000040631702 174358394 /nfs/dbraw/zinc/35/83/94/174358394.db2.gz UYIJREVVJBIEGA-HUUCEWRRSA-N 0 3 276.380 2.345 10 0 CEAEHN O[C@H]1CCCCC[C@@H]1NCc1cccc2c1OCO2 ZINC000040667315 174366949 /nfs/dbraw/zinc/36/69/49/174366949.db2.gz IVUQCJBQYPAERD-STQMWFEESA-N 0 3 263.337 2.199 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2ccc(F)cc2)CC1 ZINC000040678635 174374557 /nfs/dbraw/zinc/37/45/57/174374557.db2.gz RPGGFWLSVZBTFV-HNNXBMFYSA-N 0 3 266.360 2.326 10 0 CEAEHN CCOC1CCN(Cc2ccccc2C(N)=S)CC1 ZINC000040689476 174376647 /nfs/dbraw/zinc/37/66/47/174376647.db2.gz IXFUWKSJTZVZJY-UHFFFAOYSA-N 0 3 278.421 2.322 10 0 CEAEHN Cc1nn(CCC(=O)Nc2cccc(CN)c2)c(C)c1C ZINC000040728967 174388090 /nfs/dbraw/zinc/38/80/90/174388090.db2.gz AKQMOTKCJCFUCK-UHFFFAOYSA-N 0 3 286.379 2.296 10 0 CEAEHN CC(C)C[C@@H](CO)NCc1ccc2c(c1)OCCCO2 ZINC000040776485 174403457 /nfs/dbraw/zinc/40/34/57/174403457.db2.gz SIRDCIDDZFCOGE-AWEZNQCLSA-N 0 3 279.380 2.345 10 0 CEAEHN CC(C)(N)c1cn(CCSc2ccccc2F)nn1 ZINC000070118012 414764887 /nfs/dbraw/zinc/76/48/87/414764887.db2.gz KEGRNJSZEMWLQB-UHFFFAOYSA-N 0 3 280.372 2.403 10 0 CEAEHN Cc1cc(C)cc(OCCn2cc(C(C)(C)N)nn2)c1 ZINC000070118317 414765211 /nfs/dbraw/zinc/76/52/11/414765211.db2.gz RPLNYCVKVOVKHY-UHFFFAOYSA-N 0 3 274.368 2.168 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccc(Br)cc2)nn1 ZINC000070118571 414766332 /nfs/dbraw/zinc/76/63/32/414766332.db2.gz YSPQIUBYMPJGFC-UHFFFAOYSA-N 0 3 295.184 2.283 10 0 CEAEHN C[C@H](N(C)Cc1cnc2ccccc2n1)C(C)(C)O ZINC000660677118 414930727 /nfs/dbraw/zinc/93/07/27/414930727.db2.gz PLDMMDHEVPVVSM-NSHDSACASA-N 0 3 259.353 2.221 10 0 CEAEHN Cc1ccc(CNC[C@@H]2CC(=O)N(C)C2)c(Cl)c1 ZINC000657696241 415051162 /nfs/dbraw/zinc/05/11/62/415051162.db2.gz GDOWWRWLFMTBLW-NSHDSACASA-N 0 3 266.772 2.216 10 0 CEAEHN CN1C[C@@H](CNCc2csc(C(C)(C)C)n2)CC1=O ZINC000657698590 415053438 /nfs/dbraw/zinc/05/34/38/415053438.db2.gz XJHANNZQBIPXDO-SNVBAGLBSA-N 0 3 281.425 2.009 10 0 CEAEHN N[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299967 175000873 /nfs/dbraw/zinc/00/08/73/175000873.db2.gz FQWZNXBRVLMDCT-ONGXEEELSA-N 0 3 293.310 2.140 10 0 CEAEHN CN[C@H](c1cccc(OC(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300720 175001302 /nfs/dbraw/zinc/00/13/02/175001302.db2.gz RXYVSPWKPFBJOG-DZGCQCFKSA-N 0 3 297.420 2.169 10 0 CEAEHN CCN[C@@H](c1cccc(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000043315516 175004378 /nfs/dbraw/zinc/00/43/78/175004378.db2.gz ZMSFVFQARNCYJD-DZGCQCFKSA-N 0 3 281.421 2.389 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N(CC)CC(=O)NC(C)C ZINC000043364989 175026186 /nfs/dbraw/zinc/02/61/86/175026186.db2.gz BNJATFIBMKIPRS-CZUORRHYSA-N 0 3 295.427 2.213 10 0 CEAEHN O=S1(=O)CC[C@H](CNCc2ccc(Cl)c(F)c2)C1 ZINC000043389929 175033802 /nfs/dbraw/zinc/03/38/02/175033802.db2.gz MYLHUCUVESLEEQ-SNVBAGLBSA-N 0 3 291.775 2.003 10 0 CEAEHN CN(CCc1ccncc1)C[C@@H]1NCCc2ccccc21 ZINC000043596104 175076887 /nfs/dbraw/zinc/07/68/87/175076887.db2.gz RRGWXDOSDMSUTH-SFHVURJKSA-N 0 3 281.403 2.443 10 0 CEAEHN CCN(CC)C[C@H](NC)c1ccc(OC)c(OC)c1 ZINC000043809039 175109509 /nfs/dbraw/zinc/10/95/09/175109509.db2.gz FCPYDSCRDYAMOH-ZDUSSCGKSA-N 0 3 266.385 2.306 10 0 CEAEHN CN[C@H](CN(C)C(C)C)c1cc(OC)ccc1OC ZINC000043813119 175111131 /nfs/dbraw/zinc/11/11/31/175111131.db2.gz OXOQGMNXMBUVBN-CQSZACIVSA-N 0 3 266.385 2.305 10 0 CEAEHN CCN(C[C@@H](NC)c1ccc(OC)cc1OC)C1CC1 ZINC000043821250 175114429 /nfs/dbraw/zinc/11/44/29/175114429.db2.gz APJZXWVXTHZHCR-OAHLLOKOSA-N 0 3 278.396 2.449 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@H]1N(C)Cc1ccncc1 ZINC000043893959 175119043 /nfs/dbraw/zinc/11/90/43/175119043.db2.gz QYLWRZWLSOLVTC-WBVHZDCISA-N 0 3 283.375 2.235 10 0 CEAEHN CN[C@@H]1c2ccccc2OC[C@@H]1N(C)CC(F)(F)F ZINC000043900806 175121857 /nfs/dbraw/zinc/12/18/57/175121857.db2.gz YDLLVGDDBTVYBR-CMPLNLGQSA-N 0 3 274.286 2.202 10 0 CEAEHN CCOc1ccc([C@H](CN(CCOC)C2CC2)NC)cc1 ZINC000043969711 175131383 /nfs/dbraw/zinc/13/13/83/175131383.db2.gz ZHEFERUVGHSSNX-KRWDZBQOSA-N 0 3 292.423 2.457 10 0 CEAEHN Cc1cc(N)ccc1C(=O)N(CCN(C)C)CC(C)C ZINC000044748855 175243845 /nfs/dbraw/zinc/24/38/45/175243845.db2.gz ZKURAFBHRDWTNK-UHFFFAOYSA-N 0 3 277.412 2.237 10 0 CEAEHN C[C@@H](C1CC1)N(C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044801956 175255766 /nfs/dbraw/zinc/25/57/66/175255766.db2.gz LNFARKGXALDPKJ-SWLSCSKDSA-N 0 3 260.381 2.061 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)NCCOCCC(C)C ZINC000045106870 175308219 /nfs/dbraw/zinc/30/82/19/175308219.db2.gz NRCLKOFSCVYILD-ZDUSSCGKSA-N 0 3 272.433 2.332 10 0 CEAEHN CCCCN(CC)C[C@@](NCC)(C(N)=O)c1ccccc1 ZINC000045223228 175331194 /nfs/dbraw/zinc/33/11/94/175331194.db2.gz QVAZSHWLXJEUFZ-KRWDZBQOSA-N 0 3 291.439 2.099 10 0 CEAEHN CCCN[C@@](C)(CCN1CCC(C)CC1)C(=O)OC ZINC000045225558 175332847 /nfs/dbraw/zinc/33/28/47/175332847.db2.gz GAKXJQAKGGHXGU-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN C[C@]([NH3+])(CCN1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000045263374 175337544 /nfs/dbraw/zinc/33/75/44/175337544.db2.gz SKCXXZOFACKAMD-KRWDZBQOSA-N 0 3 290.407 2.133 10 0 CEAEHN CN[C@](C)(CC[N@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271950 175342713 /nfs/dbraw/zinc/34/27/13/175342713.db2.gz MGQUYQJSHYTCBS-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CN[C@](C)(CC[N@@H+](C)C1CCCCCC1)C(=O)[O-] ZINC000045271950 175342714 /nfs/dbraw/zinc/34/27/14/175342714.db2.gz MGQUYQJSHYTCBS-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CN[C@](C)(CC[NH+](CC(C)C)CC(C)C)C(=O)[O-] ZINC000045273813 175344154 /nfs/dbraw/zinc/34/41/54/175344154.db2.gz OSMYHOOSVXPECM-CQSZACIVSA-N 0 3 258.406 2.053 10 0 CEAEHN CN[C@@](CN(C)CC(C)(C)C)(C(=O)OC)c1ccccc1 ZINC000045279305 175349376 /nfs/dbraw/zinc/34/93/76/175349376.db2.gz RPAXHHIFOOZJJV-QGZVFWFLSA-N 0 3 292.423 2.252 10 0 CEAEHN CC1CCC([N@H+](C)CC[C@@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000045280588 175350211 /nfs/dbraw/zinc/35/02/11/175350211.db2.gz UTRCYLVHECOSAK-LDZOIKDWSA-N 0 3 282.428 2.482 10 0 CEAEHN CC1CCC([N@@H+](C)CC[C@@](C)(NC2CC2)C(=O)[O-])CC1 ZINC000045280588 175350212 /nfs/dbraw/zinc/35/02/12/175350212.db2.gz UTRCYLVHECOSAK-LDZOIKDWSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCCCN(C)C[C@@H](NCCC)C(=O)OCC ZINC000045387830 175373795 /nfs/dbraw/zinc/37/37/95/175373795.db2.gz VFQSPKUACPGKHE-CYBMUJFWSA-N 0 3 258.406 2.040 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@H](C)C2(CO)CC2)c1C ZINC000658160863 415238636 /nfs/dbraw/zinc/23/86/36/415238636.db2.gz PRERUGCTZIXJHX-ZWNOBZJWSA-N 0 3 265.401 2.331 10 0 CEAEHN C[C@@H](NC1CC(CO)C1)c1cncc(Br)c1 ZINC000658353372 415332041 /nfs/dbraw/zinc/33/20/41/415332041.db2.gz MOXOCQDKGHKMQT-YDNLMGDJSA-N 0 3 285.185 2.266 10 0 CEAEHN C[C@@H](NC1CC(CO)C1)c1ccc2c(c1)OCCCO2 ZINC000658351301 415333632 /nfs/dbraw/zinc/33/36/32/415333632.db2.gz MUMJAZVYIGYAIP-LKSINWNRSA-N 0 3 277.364 2.269 10 0 CEAEHN COc1ccccc1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659252008 415474263 /nfs/dbraw/zinc/47/42/63/415474263.db2.gz LNKIARGPNWQCEZ-UHFFFAOYSA-N 0 3 260.337 2.295 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC000070825379 176008170 /nfs/dbraw/zinc/00/81/70/176008170.db2.gz NCJCGEQUJIAMHU-KGLIPLIRSA-N 0 3 270.417 2.038 10 0 CEAEHN C[C@H](N)c1csc(N(C)Cc2cscn2)n1 ZINC000070845810 176008948 /nfs/dbraw/zinc/00/89/48/176008948.db2.gz CHGAXYXARGYLSE-ZETCQYMHSA-N 0 3 254.384 2.256 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000070987097 176018519 /nfs/dbraw/zinc/01/85/19/176018519.db2.gz FDMUXUXCCHZUQM-FZMZJTMJSA-N 0 3 284.281 2.257 10 0 CEAEHN Cc1cc(C)cc([C@@H]2[C@@H](N)CCC(=O)N2C2CC2)c1 ZINC000070987564 176018680 /nfs/dbraw/zinc/01/86/80/176018680.db2.gz RAXXFKQRTHRWMQ-GOEBONIOSA-N 0 3 258.365 2.457 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1CCc1cccs1 ZINC000071033451 176023480 /nfs/dbraw/zinc/02/34/80/176023480.db2.gz DLFASEOMLCIAAR-ZDUSSCGKSA-N 0 3 264.394 2.034 10 0 CEAEHN CC(C)N[C@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000071033455 176023506 /nfs/dbraw/zinc/02/35/06/176023506.db2.gz JLUMNFMHRDPAES-LBPRGKRZSA-N 0 3 254.280 2.068 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1Cc1ccc(F)cc1 ZINC000071033390 176023519 /nfs/dbraw/zinc/02/35/19/176023519.db2.gz HOAGXXOAFFTPBB-AWEZNQCLSA-N 0 3 262.328 2.069 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc(F)cc1Cl ZINC000071032507 176023813 /nfs/dbraw/zinc/02/38/13/176023813.db2.gz OXOKFEQERSAYCJ-LLVKDONJSA-N 0 3 268.719 2.336 10 0 CEAEHN C[C@H](Cc1ccsc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071035412 176025288 /nfs/dbraw/zinc/02/52/88/176025288.db2.gz XZCPCOYCSGJWLA-ZWNOBZJWSA-N 0 3 264.394 2.032 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1cccc2cccnc21 ZINC000071037588 176026729 /nfs/dbraw/zinc/02/67/29/176026729.db2.gz NDAAVOGZARDADW-CYBMUJFWSA-N 0 3 267.332 2.092 10 0 CEAEHN CCCOc1ccc(N2CC[C@@H](NC3CC3)C2=O)cc1 ZINC000071041903 176028000 /nfs/dbraw/zinc/02/80/00/176028000.db2.gz JYDBTLVXXXWCMJ-OAHLLOKOSA-N 0 3 274.364 2.333 10 0 CEAEHN CCCOc1ccc(N2CC[C@H](NC3CC3)C2=O)cc1 ZINC000071041900 176028118 /nfs/dbraw/zinc/02/81/18/176028118.db2.gz JYDBTLVXXXWCMJ-HNNXBMFYSA-N 0 3 274.364 2.333 10 0 CEAEHN CC[C@H](c1ccccc1)N1CC[C@@H](NC2CC2)C1=O ZINC000071041856 176028291 /nfs/dbraw/zinc/02/82/91/176028291.db2.gz UOXXCWHLXRNHBV-HUUCEWRRSA-N 0 3 258.365 2.491 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCN1c1cnc2ccccc2c1 ZINC000071042709 176028832 /nfs/dbraw/zinc/02/88/32/176028832.db2.gz DUASAYPITBOLSC-HNNXBMFYSA-N 0 3 267.332 2.092 10 0 CEAEHN CCNCc1nccn1C[C@@H]1OCCc2ccccc21 ZINC000071092286 176031880 /nfs/dbraw/zinc/03/18/80/176031880.db2.gz KMFKBUGCTQSXEU-HNNXBMFYSA-N 0 3 271.364 2.307 10 0 CEAEHN CCN(CCC(N)=S)C[C@H]1OCCc2ccccc21 ZINC000071091323 176031994 /nfs/dbraw/zinc/03/19/94/176031994.db2.gz JEIBHXYCHZFRFE-CQSZACIVSA-N 0 3 278.421 2.299 10 0 CEAEHN CC(C)N(CCCO)C[C@@H]1OCCc2ccccc21 ZINC000071098217 176032438 /nfs/dbraw/zinc/03/24/38/176032438.db2.gz XSNKSWVPNLIJBG-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN CCCN(C(C)C)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071239689 176094462 /nfs/dbraw/zinc/09/44/62/176094462.db2.gz VILAGVMRGUAKBG-UHFFFAOYSA-N 0 3 288.388 2.094 10 0 CEAEHN CCCOCCOc1nc2ccccc2cc1CN ZINC000071385944 176147381 /nfs/dbraw/zinc/14/73/81/176147381.db2.gz YTPGGKBCJSVJJB-UHFFFAOYSA-N 0 3 260.337 2.499 10 0 CEAEHN CCC[C@H](C)NC(=O)COc1ccc(C)cc1CNC ZINC000071403455 176154761 /nfs/dbraw/zinc/15/47/61/176154761.db2.gz WQVUZCLWSVDGHZ-ZDUSSCGKSA-N 0 3 278.396 2.398 10 0 CEAEHN Cc1ccc(S(=O)(=O)CCNC(C)C)c(C)c1 ZINC000071576816 176204534 /nfs/dbraw/zinc/20/45/34/176204534.db2.gz GNCOFDNFXFVKFQ-UHFFFAOYSA-N 0 3 255.383 2.075 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H](N)c1ccc(F)c(F)c1 ZINC000071611709 176231847 /nfs/dbraw/zinc/23/18/47/176231847.db2.gz RXYLRTQMMIQLIB-NSHDSACASA-N 0 3 272.295 2.489 10 0 CEAEHN C[C@]1(C(=O)N2CCC[C@H](CCF)C2)CCCCN1 ZINC000662689753 415930997 /nfs/dbraw/zinc/93/09/97/415930997.db2.gz XGIAHTXKNFJWAL-TZMCWYRMSA-N 0 3 256.365 2.117 10 0 CEAEHN COc1cccc(C2CC(NCc3c[nH]cn3)C2)c1 ZINC000078640680 177364541 /nfs/dbraw/zinc/36/45/41/177364541.db2.gz MXAZSBWTKUBMDF-UHFFFAOYSA-N 0 3 257.337 2.454 10 0 CEAEHN COc1cccc(C2CC(NCc3cnc[nH]3)C2)c1 ZINC000078640680 177364543 /nfs/dbraw/zinc/36/45/43/177364543.db2.gz MXAZSBWTKUBMDF-UHFFFAOYSA-N 0 3 257.337 2.454 10 0 CEAEHN CCC[C@@H](COC)NCC(=O)Nc1ccccc1C ZINC000079743577 177548721 /nfs/dbraw/zinc/54/87/21/177548721.db2.gz IYCOOTSOKFFMQX-ZDUSSCGKSA-N 0 3 264.369 2.338 10 0 CEAEHN CC[NH2+]Cc1cc(=O)[n-]c(-c2ccc(Cl)cc2)n1 ZINC000079939901 177584390 /nfs/dbraw/zinc/58/43/90/177584390.db2.gz XQHRABNUPMMPPA-UHFFFAOYSA-N 0 3 263.728 2.200 10 0 CEAEHN NC(=O)[C@H]1CCCN[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000080097660 177607171 /nfs/dbraw/zinc/60/71/71/177607171.db2.gz WYNQQYOOQSTPLX-WDEREUQCSA-N 0 3 272.270 2.231 10 0 CEAEHN CN(Cc1ccsc1)C(=O)[C@]1(C)CCCCN1 ZINC000136146504 419441426 /nfs/dbraw/zinc/44/14/26/419441426.db2.gz FRVXLULEYBGFRX-ZDUSSCGKSA-N 0 3 252.383 2.239 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2cccc(C)n2)C12CCOCC2 ZINC000186262401 270249493 /nfs/dbraw/zinc/24/94/93/270249493.db2.gz NRURQULYCBDRCV-JKSUJKDBSA-N 0 3 290.407 2.454 10 0 CEAEHN CCO[C@H]1C[C@@H](NCc2cccc(C)n2)C12CCOCC2 ZINC000186262454 270249509 /nfs/dbraw/zinc/24/95/09/270249509.db2.gz NRURQULYCBDRCV-CVEARBPZSA-N 0 3 290.407 2.454 10 0 CEAEHN CCC[C@@H](C)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000187684410 270255445 /nfs/dbraw/zinc/25/54/45/270255445.db2.gz MVUSFVVUIFWPMF-KGLIPLIRSA-N 0 3 251.374 2.081 10 0 CEAEHN CO[C@@H]1CCC[C@H]1N[C@H]1CC(=O)N(C)c2ccccc21 ZINC000250402029 270328638 /nfs/dbraw/zinc/32/86/38/270328638.db2.gz STVAQOBOIWYIJK-VNHYZAJKSA-N 0 3 274.364 2.251 10 0 CEAEHN COc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1F ZINC000398961674 270364788 /nfs/dbraw/zinc/36/47/88/270364788.db2.gz VEUQKEGAJSKNTK-IHRRRGAJSA-N 0 3 279.355 2.427 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)O1 ZINC000246008907 287725914 /nfs/dbraw/zinc/72/59/14/287725914.db2.gz KTVYNOVLIDXPKI-IVMMDQJWSA-N 0 3 288.391 2.073 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCc1ccncc1 ZINC000083704519 274372330 /nfs/dbraw/zinc/37/23/30/274372330.db2.gz PLDZFUSPCMKLGZ-GDBMZVCRSA-N 0 3 259.397 2.183 10 0 CEAEHN CC(C)c1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000127704788 276054716 /nfs/dbraw/zinc/05/47/16/276054716.db2.gz JLZKWEZQGQGXCL-UHFFFAOYSA-N 0 3 262.353 2.256 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000263486601 276315126 /nfs/dbraw/zinc/31/51/26/276315126.db2.gz HNCLZGRQKKRPOF-KBHBFKLGSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@@H](C)C2)C1 ZINC000263486601 276315128 /nfs/dbraw/zinc/31/51/28/276315128.db2.gz HNCLZGRQKKRPOF-KBHBFKLGSA-N 0 3 268.401 2.092 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@@H](C)C2)C1 ZINC000263486601 276315130 /nfs/dbraw/zinc/31/51/30/276315130.db2.gz HNCLZGRQKKRPOF-KBHBFKLGSA-N 0 3 268.401 2.092 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246149709 276376872 /nfs/dbraw/zinc/37/68/72/276376872.db2.gz QFIWUNJSIDHIPT-KBPBESRZSA-N 0 3 297.443 2.070 10 0 CEAEHN CC(C)[C@@H](CO)CN[C@H](C)c1nc2ccccc2n1C ZINC000348295607 277745603 /nfs/dbraw/zinc/74/56/03/277745603.db2.gz UHIZPQCCVMXWQW-CHWSQXEVSA-N 0 3 275.396 2.488 10 0 CEAEHN C[C@@H]1CC[C@@H](C(=O)N2C[C@H](N(C)C)Cc3ccccc32)O1 ZINC000153711925 277771563 /nfs/dbraw/zinc/77/15/63/277771563.db2.gz KTVYNOVLIDXPKI-XPKDYRNWSA-N 0 3 288.391 2.073 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@H](C)[C@@H]1C ZINC000246679114 279125599 /nfs/dbraw/zinc/12/55/99/279125599.db2.gz DDDGOKCTWUMSTQ-MELADBBJSA-N 0 3 269.433 2.403 10 0 CEAEHN CC[C@H](SC)C(=O)N1C[C@H]2CCCN2C[C@@H]1CC ZINC000246081087 288146494 /nfs/dbraw/zinc/14/64/94/288146494.db2.gz GEGALWRGXIKEGG-XQQFMLRXSA-N 0 3 270.442 2.213 10 0 CEAEHN CC(C)(O)CN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182800614 280111236 /nfs/dbraw/zinc/11/12/36/280111236.db2.gz MAWAWNUDYXRINW-JTQLQIEISA-N 0 3 291.317 2.310 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@H]2CC[C@@H](C)C2)C1 ZINC000246424323 280292815 /nfs/dbraw/zinc/29/28/15/280292815.db2.gz CUCJVDFUFKAKKB-RDBSUJKOSA-N 0 3 252.402 2.413 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccncc2F)C1 ZINC000248716216 280360459 /nfs/dbraw/zinc/36/04/59/280360459.db2.gz FYQNGAGCIAKRPV-GXFFZTMASA-N 0 3 280.347 2.071 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@H]2CCC[C@H]2C)C1 ZINC000249006925 280379451 /nfs/dbraw/zinc/37/94/51/280379451.db2.gz OAXLWSVZUJTBER-MCIONIFRSA-N 0 3 252.402 2.413 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H]1CCCCO1 ZINC000252661374 288299144 /nfs/dbraw/zinc/29/91/44/288299144.db2.gz IYLCHNUOHQDQHL-QLFBSQMISA-N 0 3 252.402 2.114 10 0 CEAEHN CC1(C)Cc2occc2[C@@H](N[C@H]2CCc3ncnn3C2)C1 ZINC000180601158 281376794 /nfs/dbraw/zinc/37/67/94/281376794.db2.gz XHGTZWKCFURLOO-AAEUAGOBSA-N 0 3 286.379 2.489 10 0 CEAEHN CC[C@@H](OC1CCCCC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000154437765 289145253 /nfs/dbraw/zinc/14/52/53/289145253.db2.gz SPIMFFYHARKPGI-UKRRQHHQSA-N 0 3 282.428 2.277 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000082287422 289310957 /nfs/dbraw/zinc/31/09/57/289310957.db2.gz GGXFOVZVIVJNES-OAHLLOKOSA-N 0 3 272.392 2.271 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000163611728 289314751 /nfs/dbraw/zinc/31/47/51/289314751.db2.gz BULYPOHBAHCMLF-RBSFLKMASA-N 0 3 264.413 2.365 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCCCOC2CCCCC2)C1 ZINC000170826925 312664810 /nfs/dbraw/zinc/66/48/10/312664810.db2.gz FMADRZYSCZPVAG-CQSZACIVSA-N 0 3 297.443 2.071 10 0 CEAEHN CCc1ccnc(C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000179986840 312760827 /nfs/dbraw/zinc/76/08/27/312760827.db2.gz FIPQLYIEBBJRBG-CQSZACIVSA-N 0 3 277.412 2.350 10 0 CEAEHN CCCNCc1cc(Cl)ccc1O[C@@H](CC)C(N)=O ZINC000061675738 519943678 /nfs/dbraw/zinc/94/36/78/519943678.db2.gz AWAOSCSWWBQHPX-LBPRGKRZSA-N 0 3 284.787 2.482 10 0 CEAEHN CCNCc1cc(CN2CCC[C@H](C)[C@@H]2C)on1 ZINC000052373336 519986846 /nfs/dbraw/zinc/98/68/46/519986846.db2.gz KCOVOYZCRIPUFI-RYUDHWBXSA-N 0 3 251.374 2.405 10 0 CEAEHN CCC[NH2+][C@H](CCN1CCCCCCC1)C(=O)[O-] ZINC000062438804 520073476 /nfs/dbraw/zinc/07/34/76/520073476.db2.gz VXQGJVYRLBVSAK-CYBMUJFWSA-N 0 3 256.390 2.095 10 0 CEAEHN CCCN[C@](C)(CN(CC)CC1CC1)C(=O)OCC ZINC000069239618 520107786 /nfs/dbraw/zinc/10/77/86/520107786.db2.gz PNTIKLICQZVYDO-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCCCN(C)C[C@@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069098402 520152139 /nfs/dbraw/zinc/15/21/39/520152139.db2.gz HCSRVMCSWLOKOV-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCN[C@H](CC[N@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000062525958 520185801 /nfs/dbraw/zinc/18/58/01/520185801.db2.gz UMLSTMCRWOQYNI-JXQTWKCFSA-N 0 3 270.417 2.340 10 0 CEAEHN CCN[C@H](CC[N@@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000062525958 520185808 /nfs/dbraw/zinc/18/58/08/520185808.db2.gz UMLSTMCRWOQYNI-JXQTWKCFSA-N 0 3 270.417 2.340 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1C)[C@H]1COCCO1 ZINC000055299989 520208301 /nfs/dbraw/zinc/20/83/01/520208301.db2.gz OGIMAGNULANSMD-HUUCEWRRSA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1cc(C)ccc1C)C(N)=O ZINC000068655936 520235165 /nfs/dbraw/zinc/23/51/65/520235165.db2.gz HAAGUDBMKAIQSA-CZUORRHYSA-N 0 3 278.396 2.314 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1ccc(C(N)=S)cc1 ZINC000069434042 521302388 /nfs/dbraw/zinc/30/23/88/521302388.db2.gz JZGUKSFFOHVOHN-UHFFFAOYSA-N 0 3 293.436 2.380 10 0 CEAEHN CCC(CC)C[N@H+](CC)CC[C@H](NC1CC1)C(=O)[O-] ZINC000062461720 521521438 /nfs/dbraw/zinc/52/14/38/521521438.db2.gz WPWZKRYIHZAEGE-AWEZNQCLSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC(CC)C[N@@H+](CC)CC[C@H](NC1CC1)C(=O)[O-] ZINC000062461720 521521448 /nfs/dbraw/zinc/52/14/48/521521448.db2.gz WPWZKRYIHZAEGE-AWEZNQCLSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC(CC)N(C)Cc1ccnc(C(N)=S)c1 ZINC000068752016 521541708 /nfs/dbraw/zinc/54/17/08/521541708.db2.gz ODIHKELHHZTJKN-UHFFFAOYSA-N 0 3 251.399 2.336 10 0 CEAEHN CCCc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1CNC ZINC000054995518 521534864 /nfs/dbraw/zinc/53/48/64/521534864.db2.gz QPPDBARBVBJYPN-GHMZBOCLSA-N 0 3 283.441 2.429 10 0 CEAEHN CNCc1occc1CN(C)Cc1cscn1 ZINC000052503790 522165318 /nfs/dbraw/zinc/16/53/18/522165318.db2.gz UAXMNUKJZBVYMK-UHFFFAOYSA-N 0 3 251.355 2.088 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1F ZINC000156818031 522304259 /nfs/dbraw/zinc/30/42/59/522304259.db2.gz YNHBUAQURLHQFV-AMIZOPFISA-N 0 3 284.331 2.155 10 0 CEAEHN COC(=O)c1cc(CN[C@H](C)[C@H]2CCCO2)cs1 ZINC000411537995 533828622 /nfs/dbraw/zinc/82/86/22/533828622.db2.gz SSLFNEXXHHWQRS-MWLCHTKSSA-N 0 3 269.366 2.192 10 0 CEAEHN CN[C@H](CS(C)(=O)=O)c1cccc2ccccc21 ZINC000054930187 522469959 /nfs/dbraw/zinc/46/99/59/522469959.db2.gz DXBJTJPKDRLCTP-CQSZACIVSA-N 0 3 263.362 2.145 10 0 CEAEHN CC(C)(C)NC(=O)[C@@H](CN)Cc1ccc2ncccc2c1 ZINC000069500516 518745463 /nfs/dbraw/zinc/74/54/63/518745463.db2.gz XZYFZQMKSHUHJE-CQSZACIVSA-N 0 3 285.391 2.267 10 0 CEAEHN CC(C)N1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1 ZINC000054997426 519683646 /nfs/dbraw/zinc/68/36/46/519683646.db2.gz WBBSIZYIXRLTKK-UHFFFAOYSA-N 0 3 296.484 2.430 10 0 CEAEHN CC(C)CN1C(=O)C[C@@H](N)[C@@H]1c1cccc(F)c1 ZINC000070294512 519719302 /nfs/dbraw/zinc/71/93/02/519719302.db2.gz VHLRGELFLZZBSW-OCCSQVGLSA-N 0 3 250.317 2.082 10 0 CEAEHN CC(C)NCCS(=O)(=O)Nc1cccc2c1CCCC2 ZINC000049640752 519722365 /nfs/dbraw/zinc/72/23/65/519722365.db2.gz ZPSTUUKRSAVONW-UHFFFAOYSA-N 0 3 296.436 2.305 10 0 CEAEHN CC(C)N[C@](COCC1CCCCC1)(C(N)=O)C1CC1 ZINC000069198426 519740735 /nfs/dbraw/zinc/74/07/35/519740735.db2.gz PCXWWPCXFZWYAX-INIZCTEOSA-N 0 3 282.428 2.215 10 0 CEAEHN CC(C)CN[C@H](C(N)=O)c1cccc2cccnc21 ZINC000069503101 519749817 /nfs/dbraw/zinc/74/98/17/519749817.db2.gz SMDVGNGHNJVLHB-AWEZNQCLSA-N 0 3 257.337 2.007 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(N)ccc1F ZINC000049550967 519775534 /nfs/dbraw/zinc/77/55/34/519775534.db2.gz JGFGJQBXIOYUON-LBPRGKRZSA-N 0 3 281.375 2.114 10 0 CEAEHN CC(C)Oc1ccc([C@@H](N)CN2CCCOCC2)cc1 ZINC000061917712 519781608 /nfs/dbraw/zinc/78/16/08/519781608.db2.gz NSJMODBQDUCYEL-INIZCTEOSA-N 0 3 278.396 2.196 10 0 CEAEHN CCCNC(=O)COc1ccc(Cl)cc1[C@@H](C)N ZINC000050209124 519881273 /nfs/dbraw/zinc/88/12/73/519881273.db2.gz WBEJSZPZYLPFCJ-SECBINFHSA-N 0 3 270.760 2.265 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745689 519893692 /nfs/dbraw/zinc/89/36/92/519893692.db2.gz HYXIUJUWAKCESG-UWVGGRQHSA-N 0 3 268.332 2.139 10 0 CEAEHN CCCC1CCC(N[C@@H]2CC(=O)N(CC)C2=O)CC1 ZINC000049543829 519899430 /nfs/dbraw/zinc/89/94/30/519899430.db2.gz XELZQQALLZBQJG-WXRRBKDZSA-N 0 3 266.385 2.082 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(C(=O)OCC)c1 ZINC000061298842 519907152 /nfs/dbraw/zinc/90/71/52/519907152.db2.gz ZPMDJRAVRMHNJH-UHFFFAOYSA-N 0 3 278.352 2.190 10 0 CEAEHN CCCNCc1ccc(N(C)C[C@@H](C)CC)nn1 ZINC000051442673 519950301 /nfs/dbraw/zinc/95/03/01/519950301.db2.gz JUVCADHEDRDTTJ-LBPRGKRZSA-N 0 3 250.390 2.459 10 0 CEAEHN CCCNCc1cccc(OCC)c1O[C@H](CC)C(N)=O ZINC000061675789 519954042 /nfs/dbraw/zinc/95/40/42/519954042.db2.gz DEHXFEQQRUAAPF-CYBMUJFWSA-N 0 3 294.395 2.228 10 0 CEAEHN CCNCc1cc(CN2CCC[C@@H](C)[C@@H]2C)on1 ZINC000052373337 519986574 /nfs/dbraw/zinc/98/65/74/519986574.db2.gz KCOVOYZCRIPUFI-NEPJUHHUSA-N 0 3 251.374 2.405 10 0 CEAEHN CCNCc1cc(CN2CCO[C@H]3CCC[C@@H]32)c(C)o1 ZINC000052540363 519990015 /nfs/dbraw/zinc/99/00/15/519990015.db2.gz TVYOPQPTLIIRJS-HOTGVXAUSA-N 0 3 278.396 2.451 10 0 CEAEHN CCNCc1ccc(OC)cc1O[C@@H](C)C(=O)OCC ZINC000049954919 520000300 /nfs/dbraw/zinc/00/03/00/520000300.db2.gz GEDHGXULYXNPON-NSHDSACASA-N 0 3 281.352 2.135 10 0 CEAEHN CCCN[C@@H](Cn1nc(C)ccc1=O)c1ccccc1 ZINC000061810214 520016508 /nfs/dbraw/zinc/01/65/08/520016508.db2.gz XBJPFSJKZYQCGU-HNNXBMFYSA-N 0 3 271.364 2.293 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCc3nnc(C)o3)ccc21 ZINC000062805059 520026571 /nfs/dbraw/zinc/02/65/71/520026571.db2.gz QOWXCVIJEGYIPL-CYBMUJFWSA-N 0 3 289.335 2.390 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCc3ncccn3)ccc21 ZINC000062805093 520027629 /nfs/dbraw/zinc/02/76/29/520027629.db2.gz LRWZSFDNSUXIRX-CQSZACIVSA-N 0 3 285.347 2.489 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@@H]1CCOC1=O ZINC000062746956 520076172 /nfs/dbraw/zinc/07/61/72/520076172.db2.gz DWWJODCXDSYCNB-JOYOIKCWSA-N 0 3 267.300 2.191 10 0 CEAEHN CCCN[C@H](c1cc(F)ccc1OC)[C@@H]1COCCO1 ZINC000055300668 520088743 /nfs/dbraw/zinc/08/87/43/520088743.db2.gz QJTSALDWMUBGHL-LSDHHAIUSA-N 0 3 283.343 2.290 10 0 CEAEHN CCN[C@@H](CCSc1ccc(Cl)cc1)C(N)=O ZINC000062597830 520094142 /nfs/dbraw/zinc/09/41/42/520094142.db2.gz SWUVDAXAFQUMPD-NSHDSACASA-N 0 3 272.801 2.286 10 0 CEAEHN CCCN[C@H]1COc2cc(OCc3ncon3)ccc21 ZINC000062805058 520098114 /nfs/dbraw/zinc/09/81/14/520098114.db2.gz IXWBCPBWXUZVRZ-LBPRGKRZSA-N 0 3 275.308 2.082 10 0 CEAEHN CCN[C@@H](CS(C)(=O)=O)c1c(C)cc(C)cc1C ZINC000054930414 520101437 /nfs/dbraw/zinc/10/14/37/520101437.db2.gz OUVUXGBTRCYJGI-ZDUSSCGKSA-N 0 3 269.410 2.307 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)NC(=O)CO2)[C@H]1CCCCO1 ZINC000050962255 520112175 /nfs/dbraw/zinc/11/21/75/520112175.db2.gz CPTJJHCBMRGFEQ-ZBFHGGJFSA-N 0 3 290.363 2.237 10 0 CEAEHN CCN[C@@H](c1ccnn1C)c1ccc(OC)c(OC)c1 ZINC000069467153 520114108 /nfs/dbraw/zinc/11/41/08/520114108.db2.gz ZPKSAFIKGFDSRE-OAHLLOKOSA-N 0 3 275.352 2.136 10 0 CEAEHN CCCN[C@](CN(C)CC(C)C)(C(=O)OCC)C1CC1 ZINC000069096595 520117466 /nfs/dbraw/zinc/11/74/66/520117466.db2.gz NLAPAWZDVPCJER-INIZCTEOSA-N 0 3 284.444 2.286 10 0 CEAEHN CCCN[C@](CN(C)c1ccc(C)cc1)(C(N)=O)C1CC1 ZINC000069231432 520119038 /nfs/dbraw/zinc/11/90/38/520119038.db2.gz BJLDHECHXWHUFB-KRWDZBQOSA-N 0 3 289.423 2.065 10 0 CEAEHN CCCN[C@](CN(CC)c1ccccc1)(C(N)=O)C1CC1 ZINC000069096310 520119120 /nfs/dbraw/zinc/11/91/20/520119120.db2.gz GJACIKCMDSPGIL-KRWDZBQOSA-N 0 3 289.423 2.147 10 0 CEAEHN CCN[C@@H]1COc2cc(OCC(=O)N[C@@H](C)CC)ccc21 ZINC000062804934 520124400 /nfs/dbraw/zinc/12/44/00/520124400.db2.gz APJZQMAZNUKHMD-SMDDNHRTSA-N 0 3 292.379 2.023 10 0 CEAEHN CCCNc1cc(C(=O)N(CCC)CCN(C)C)ccn1 ZINC000050786161 520129911 /nfs/dbraw/zinc/12/99/11/520129911.db2.gz OTHVFLKNCUTYPP-UHFFFAOYSA-N 0 3 292.427 2.317 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1ccc(C)cc1OC)C(N)=O ZINC000068657120 520142570 /nfs/dbraw/zinc/14/25/70/520142570.db2.gz UMZZEHJUVXKWTE-WBMJQRKESA-N 0 3 294.395 2.015 10 0 CEAEHN CCN[C@@](COc1c(C)ccc(C)c1C)(C(N)=O)C1CC1 ZINC000069197931 520157099 /nfs/dbraw/zinc/15/70/99/520157099.db2.gz USNPDFOZXHIKHL-QGZVFWFLSA-N 0 3 290.407 2.234 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CCCO2)[C@@H]1COCCO1 ZINC000055301017 520209623 /nfs/dbraw/zinc/20/96/23/520209623.db2.gz WDFIWFHPSIDVMA-JKSUJKDBSA-N 0 3 277.364 2.078 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000062806658 520210297 /nfs/dbraw/zinc/21/02/97/520210297.db2.gz CQBWMBNTXCDTIS-DOTOQJQBSA-N 0 3 288.391 2.425 10 0 CEAEHN CCN[C@H](c1ccccc1)[C@@H](CC)S(C)(=O)=O ZINC000054930459 520210464 /nfs/dbraw/zinc/21/04/64/520210464.db2.gz OGFOVIKVKPADNO-CHWSQXEVSA-N 0 3 255.383 2.160 10 0 CEAEHN CCN[C@H]1COc2cc(OCCn3ccnc3C)ccc21 ZINC000062804562 520220889 /nfs/dbraw/zinc/22/08/89/520220889.db2.gz ZFNUFXIBXHMYPW-HNNXBMFYSA-N 0 3 287.363 2.314 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1ccccc1OCC)C(N)=O ZINC000068655395 520242145 /nfs/dbraw/zinc/24/21/45/520242145.db2.gz HVMKCLHPHXUZKQ-BLLLJJGKSA-N 0 3 294.395 2.096 10 0 CEAEHN CCN[C@](CSc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069188608 520253629 /nfs/dbraw/zinc/25/36/29/520253629.db2.gz DDPTYLAFLPSPQV-HNNXBMFYSA-N 0 3 278.421 2.331 10 0 CEAEHN CCNc1cc(CN2CCCC[C@@H]2CCO)ccn1 ZINC000052717200 520272132 /nfs/dbraw/zinc/27/21/32/520272132.db2.gz LBFYKUGFIDZFDD-CQSZACIVSA-N 0 3 263.385 2.250 10 0 CEAEHN CCNc1ccc(C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000050743464 520289559 /nfs/dbraw/zinc/28/95/59/520289559.db2.gz IFZXZWQWDQHRRK-OAHLLOKOSA-N 0 3 275.396 2.333 10 0 CEAEHN CCNc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cn1 ZINC000050791192 520292844 /nfs/dbraw/zinc/29/28/44/520292844.db2.gz RFLYXCOYXJALBR-CYBMUJFWSA-N 0 3 290.411 2.118 10 0 CEAEHN CCCOc1c(OC)cc(CNCCOC)cc1OC ZINC000062732846 520296391 /nfs/dbraw/zinc/29/63/91/520296391.db2.gz WWIOGDRGMIGXEI-UHFFFAOYSA-N 0 3 283.368 2.229 10 0 CEAEHN CCCOc1ccccc1O[C@@H](C)C[C@@](C)(NC)C(N)=O ZINC000068653983 520485487 /nfs/dbraw/zinc/48/54/87/520485487.db2.gz IYWUTPBLMKVOAA-BLLLJJGKSA-N 0 3 294.395 2.096 10 0 CEAEHN CC1(C)CN([C@@H](CN)c2cc(F)c(F)c(F)c2)CCO1 ZINC000062710093 520492516 /nfs/dbraw/zinc/49/25/16/520492516.db2.gz TZSMYTOHVIXZCE-LBPRGKRZSA-N 0 3 288.313 2.215 10 0 CEAEHN CCOc1ccc(C(=O)CN2CCC[C@H]2CN(C)C)cc1 ZINC000061645667 520886969 /nfs/dbraw/zinc/88/69/69/520886969.db2.gz SEYNKVBWIDOGNR-HNNXBMFYSA-N 0 3 290.407 2.294 10 0 CEAEHN CCCC[C@@H](C)NS(=O)(=O)c1ccccc1CN ZINC000050888233 521009124 /nfs/dbraw/zinc/00/91/24/521009124.db2.gz BOPMGVVNMZPKBB-LLVKDONJSA-N 0 3 270.398 2.002 10 0 CEAEHN CCCC[C@@H](C)N[C@@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000050887999 521011706 /nfs/dbraw/zinc/01/17/06/521011706.db2.gz FKFPNHRDNAEJKG-GRYCIOLGSA-N 0 3 254.374 2.081 10 0 CEAEHN CCOC(=O)[C@@](CN1CCC(C)(C)CC1)(NC)C1CC1 ZINC000069232053 521166083 /nfs/dbraw/zinc/16/60/83/521166083.db2.gz JBJCWGMTEUVHFD-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCC[C@H](N)C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547478 521215388 /nfs/dbraw/zinc/21/53/88/521215388.db2.gz XOVMPUIWPKVCQP-PWSUYJOCSA-N 0 3 250.342 2.196 10 0 CEAEHN CCOC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)NC ZINC000062746177 521216921 /nfs/dbraw/zinc/21/69/21/521216921.db2.gz RKWQTFITWSFCHS-ZJUUUORDSA-N 0 3 269.316 2.437 10 0 CEAEHN CCCC[C@](CC)(NCCN(C)C)C(=O)OCC ZINC000069382024 521255127 /nfs/dbraw/zinc/25/51/27/521255127.db2.gz RUJZUNYFTSQIRB-AWEZNQCLSA-N 0 3 258.406 2.040 10 0 CEAEHN CCOc1ccc([C@H](CN2CCCOCC2)NC)cc1 ZINC000061917933 521261919 /nfs/dbraw/zinc/26/19/19/521261919.db2.gz OCRWXGBDNIFNKH-INIZCTEOSA-N 0 3 278.396 2.068 10 0 CEAEHN CCC[C@](C)(CO)CN1CCN(CC(C)C)CC1 ZINC000055082285 521269495 /nfs/dbraw/zinc/26/94/95/521269495.db2.gz QVDDWLWARNCUOT-HNNXBMFYSA-N 0 3 256.434 2.059 10 0 CEAEHN CCOC(=O)[C@](CN(C)CC(C)C)(NC1CC1)C1CC1 ZINC000069096604 521337448 /nfs/dbraw/zinc/33/74/48/521337448.db2.gz PAHFNHCEVXKZPQ-MRXNPFEDSA-N 0 3 282.428 2.038 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)N[C@H](CC(C)C)CN(C)C ZINC000049555883 521341654 /nfs/dbraw/zinc/34/16/54/521341654.db2.gz ULOHBVXYDJEJRW-UONOGXRCSA-N 0 3 285.476 2.246 10 0 CEAEHN CCCN(C)c1c(CNCC(C)C)c(C)nn1C ZINC000062735298 521514488 /nfs/dbraw/zinc/51/44/88/521514488.db2.gz OFDSHZVDISZHAP-UHFFFAOYSA-N 0 3 252.406 2.320 10 0 CEAEHN CCCc1nc(Cn2ccnc2CNCC)cs1 ZINC000051004745 521527483 /nfs/dbraw/zinc/52/74/83/521527483.db2.gz GGNUSEVQQXYWDD-UHFFFAOYSA-N 0 3 264.398 2.450 10 0 CEAEHN CCOc1ccccc1[C@@H](Cn1ccc(=O)cc1)NC ZINC000061627796 521578867 /nfs/dbraw/zinc/57/88/67/521578867.db2.gz JOAPDDNXHQZBJO-OAHLLOKOSA-N 0 3 272.348 2.208 10 0 CEAEHN CCCn1cc(Cl)cc1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069132896 521654113 /nfs/dbraw/zinc/65/41/13/521654113.db2.gz NNAYXNRYTSWGEE-PHIMTYICSA-N 0 3 283.803 2.374 10 0 CEAEHN CCNC(=O)CCOc1cc(F)ccc1[C@H](C)NCC ZINC000062746858 521735879 /nfs/dbraw/zinc/73/58/79/521735879.db2.gz WMTMWNJWJGSVNP-NSHDSACASA-N 0 3 282.359 2.401 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CC(=O)c1ccc(F)c(F)c1 ZINC000061645714 521835692 /nfs/dbraw/zinc/83/56/92/521835692.db2.gz PZKHETWVRCNSTM-LBPRGKRZSA-N 0 3 282.334 2.174 10 0 CEAEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1N ZINC000061641654 521836038 /nfs/dbraw/zinc/83/60/38/521836038.db2.gz WIBBJZNCLAIKCZ-NSHDSACASA-N 0 3 281.787 2.088 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(Cl)ccc1OC ZINC000061300143 521941196 /nfs/dbraw/zinc/94/11/96/521941196.db2.gz NHIYPMHDQVWEFW-UHFFFAOYSA-N 0 3 256.733 2.285 10 0 CEAEHN CC[C@@H](C)Cn1nc(C)c(CNCCOC)c1C ZINC000054717698 522031885 /nfs/dbraw/zinc/03/18/85/522031885.db2.gz VRSHXWXWNNWOEX-LLVKDONJSA-N 0 3 253.390 2.282 10 0 CEAEHN CNCc1oc(CN2CCO[C@H]3CCC[C@@H]32)cc1C ZINC000052540407 522161726 /nfs/dbraw/zinc/16/17/26/522161726.db2.gz GJEUWHSGOWJSLP-KBPBESRZSA-N 0 3 264.369 2.061 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@H](C)N[C@@H]1CCc2ccccc2C1 ZINC000052396217 522207155 /nfs/dbraw/zinc/20/71/55/522207155.db2.gz TVUXSXJXHKVTMX-DVOMOZLQSA-N 0 3 274.408 2.437 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCCCC(=O)OC ZINC000062746262 522332824 /nfs/dbraw/zinc/33/28/24/522332824.db2.gz LSCIOTKFDGSQKG-JTQLQIEISA-N 0 3 269.316 2.438 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1ccc(OC)cc1OC)C(F)(F)F ZINC000062784701 522347485 /nfs/dbraw/zinc/34/74/85/522347485.db2.gz AUCGZBZJNAZZQR-NWDGAFQWSA-N 0 3 293.285 2.191 10 0 CEAEHN CN[C@@H](c1ccc(Br)s1)[C@@H]1COCCO1 ZINC000055301038 522367319 /nfs/dbraw/zinc/36/73/19/522367319.db2.gz WOVVRBLFDOLCEF-OIBJUYFYSA-N 0 3 292.198 2.187 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CC(=O)N2)[C@H]1CCCCO1 ZINC000050961586 522368969 /nfs/dbraw/zinc/36/89/69/522368969.db2.gz UBNVNHDTJPAGFW-HIFRSBDPSA-N 0 3 260.337 2.011 10 0 CEAEHN CN[C@@H](c1ccc(OC)c(Cl)c1)[C@@H]1COCCO1 ZINC000055299268 522369342 /nfs/dbraw/zinc/36/93/42/522369342.db2.gz JYDWRPQBGOATRP-STQMWFEESA-N 0 3 271.744 2.025 10 0 CEAEHN CCc1nc(N2C[C@H]3CC[C@@H]2C3)sc1CNCCOC ZINC000055000164 522390090 /nfs/dbraw/zinc/39/00/90/522390090.db2.gz ZUZBPEVLPGUSIY-NWDGAFQWSA-N 0 3 295.452 2.430 10 0 CEAEHN CN[C@@H]1CCN(c2cc(C(F)(F)F)ccc2F)C1=O ZINC000062657141 522395274 /nfs/dbraw/zinc/39/52/74/522395274.db2.gz SXVYKINBVZHOBS-SECBINFHSA-N 0 3 276.233 2.169 10 0 CEAEHN CN[C@@H]1COc2cc(OC[C@@H]3CCCCO3)ccc21 ZINC000062804013 522400956 /nfs/dbraw/zinc/40/09/56/522400956.db2.gz QMVWFRGKMAIGNX-GXTWGEPZSA-N 0 3 263.337 2.287 10 0 CEAEHN CN[C@@](C)(CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000045510823 522411392 /nfs/dbraw/zinc/41/13/92/522411392.db2.gz XVHUCTQCGLCIQN-HNNXBMFYSA-N 0 3 264.369 2.042 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCC(=O)N1CCCC1 ZINC000062746563 522447210 /nfs/dbraw/zinc/44/72/10/522447210.db2.gz KGAFWZGEKUFREF-LLVKDONJSA-N 0 3 280.343 2.107 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000049516070 522543553 /nfs/dbraw/zinc/54/35/53/522543553.db2.gz XSDZTNREUXQURT-GFCCVEGCSA-N 0 3 294.782 2.269 10 0 CEAEHN CC[C@H](NC)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052295440 522556009 /nfs/dbraw/zinc/55/60/09/522556009.db2.gz OQOXDIONPRKPSS-LEWSCRJBSA-N 0 3 282.409 2.044 10 0 CEAEHN COc1cc(OC)c(CN[C@@H]2C[C@@H]2C)c(OC)c1 ZINC000052272853 522796953 /nfs/dbraw/zinc/79/69/53/522796953.db2.gz JREGPJPZLPAAHZ-JOYOIKCWSA-N 0 3 251.326 2.210 10 0 CEAEHN CC[C@H](Oc1cc(OC)ccc1CNC(C)(C)C)C(N)=O ZINC000062733150 522869554 /nfs/dbraw/zinc/86/95/54/522869554.db2.gz SXVQXRLTMPZMSG-ZDUSSCGKSA-N 0 3 294.395 2.226 10 0 CEAEHN CC[C@H](Oc1ccc2c(c1)OC(C)(C)C[C@@H]2NC)C(N)=O ZINC000061676010 522875800 /nfs/dbraw/zinc/87/58/00/522875800.db2.gz XEXPYFPCFRCOQA-STQMWFEESA-N 0 3 292.379 2.151 10 0 CEAEHN CCc1oc(C(=O)OC)cc1CN[C@H](C)[C@H]1CCCO1 ZINC000183156185 523003037 /nfs/dbraw/zinc/00/30/37/523003037.db2.gz PAFPXNSRLSCPEH-ZWNOBZJWSA-N 0 3 281.352 2.286 10 0 CEAEHN CC[C@@H]1CCCN1Cc1nc(NN)ccc1Cl ZINC000061638829 523269197 /nfs/dbraw/zinc/26/91/97/523269197.db2.gz KIECQMLNELHRGT-SECBINFHSA-N 0 3 254.765 2.395 10 0 CEAEHN CC[C@H]1CN(c2c(CNC(C)(C)C)c(C)nn2C)CCO1 ZINC000062735896 523300948 /nfs/dbraw/zinc/30/09/48/523300948.db2.gz OKUUYUPXEJLYHL-ZDUSSCGKSA-N 0 3 294.443 2.232 10 0 CEAEHN CCn1cc([C@@H](Cc2csc(C)n2)NC)cn1 ZINC000055295097 523464909 /nfs/dbraw/zinc/46/49/09/523464909.db2.gz CBPFEYINTCFNCH-GFCCVEGCSA-N 0 3 250.371 2.171 10 0 CEAEHN CC[C@@H]1COCCN1c1ccc(Cl)cc1CN ZINC000052856927 523502557 /nfs/dbraw/zinc/50/25/57/523502557.db2.gz PYSKIGSEXVFIDK-GFCCVEGCSA-N 0 3 254.761 2.414 10 0 CEAEHN CC[C@@H]1CSC(NCc2ccc3c(c2)OCO3)=N1 ZINC000061675016 523519775 /nfs/dbraw/zinc/51/97/75/523519775.db2.gz NDYREAVYEZDOKF-SNVBAGLBSA-N 0 3 264.350 2.386 10 0 CEAEHN CN(Cc1nc(NN)ccc1Cl)C[C@@H]1CCCCO1 ZINC000061631287 523556597 /nfs/dbraw/zinc/55/65/97/523556597.db2.gz PGCNNWVFAWXWMQ-JTQLQIEISA-N 0 3 284.791 2.022 10 0 CEAEHN COCCN(C)CCN[C@H](C)c1c(C)cc(C)nc1C ZINC000061377213 523609608 /nfs/dbraw/zinc/60/96/08/523609608.db2.gz XBBHZJROUHWRBW-CQSZACIVSA-N 0 3 279.428 2.236 10 0 CEAEHN COCCN(C)CCN[C@H]1CSCc2ccccc21 ZINC000061377480 523613158 /nfs/dbraw/zinc/61/31/58/523613158.db2.gz CCDGRYILYOPWCD-HNNXBMFYSA-N 0 3 280.437 2.142 10 0 CEAEHN COCCN(CCOC)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O ZINC000054561532 523715994 /nfs/dbraw/zinc/71/59/94/523715994.db2.gz IFMHBHWFAPJBRH-JYJNAYRXSA-N 0 3 287.444 2.014 10 0 CEAEHN CC[C@H](C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)N(C)C ZINC000164321917 523761952 /nfs/dbraw/zinc/76/19/52/523761952.db2.gz UJDPVQPASGQBHM-ZIAGYGMSSA-N 0 3 292.427 2.041 10 0 CEAEHN COCCNCc1c(N2CCC[C@@H]2C)nc2sccn12 ZINC000062736499 523948617 /nfs/dbraw/zinc/94/86/17/523948617.db2.gz WTZXXHZIODLVEI-NSHDSACASA-N 0 3 294.424 2.121 10 0 CEAEHN COCCNCc1sc(N(C)C(C)C)nc1C ZINC000054995820 523958669 /nfs/dbraw/zinc/95/86/69/523958669.db2.gz ZRQUDDHOSSBDOQ-UHFFFAOYSA-N 0 3 257.403 2.032 10 0 CEAEHN CCc1ccc([C@@H](CN)N(CCOC)C2CC2)s1 ZINC000051719379 524027986 /nfs/dbraw/zinc/02/79/86/524027986.db2.gz QACZCGYVAMHYRZ-CYBMUJFWSA-N 0 3 268.426 2.421 10 0 CEAEHN CN(C)C1CC[NH+]([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000062752116 524040726 /nfs/dbraw/zinc/04/07/26/524040726.db2.gz DJRONUHBZNFFFO-HNNXBMFYSA-N 0 3 276.380 2.228 10 0 CEAEHN CCc1ccc([C@H](CN)N2CCN([C@H](C)CC)CC2)o1 ZINC000055064345 524047925 /nfs/dbraw/zinc/04/79/25/524047925.db2.gz YFAGYFKYJUKQLV-HIFRSBDPSA-N 0 3 279.428 2.258 10 0 CEAEHN COCCOc1cccc(NC(=O)[C@@H]2CCC[C@H](C)N2)c1 ZINC000066146704 524056258 /nfs/dbraw/zinc/05/62/58/524056258.db2.gz BDOBFWVUEUEPCF-WFASDCNBSA-N 0 3 292.379 2.181 10 0 CEAEHN COc1cccc([C@H](O)[C@H](N)c2ccccc2)c1OC ZINC000054681681 524166291 /nfs/dbraw/zinc/16/62/91/524166291.db2.gz PVPDCKSZNVERNO-CABCVRRESA-N 0 3 273.332 2.437 10 0 CEAEHN Cc1cc(C)c(C(N)=S)c(NCCN2CCCCC2)n1 ZINC000049575551 524248136 /nfs/dbraw/zinc/24/81/36/524248136.db2.gz MUVSAWUWVUUEAZ-UHFFFAOYSA-N 0 3 292.452 2.230 10 0 CEAEHN C[C@H](CN1CCCCC1)NCC(=O)Nc1cccc(F)c1 ZINC000049501833 524331548 /nfs/dbraw/zinc/33/15/48/524331548.db2.gz XETDVIMWWCRCCZ-CYBMUJFWSA-N 0 3 293.386 2.228 10 0 CEAEHN C[C@H](CNC(=O)c1ccc2c[nH]nc2c1)N1CCCCC1 ZINC000061670464 524465617 /nfs/dbraw/zinc/46/56/17/524465617.db2.gz JOAPMPSVPHVLEG-GFCCVEGCSA-N 0 3 286.379 2.167 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1cc(Cl)ccc1N ZINC000049149117 524590467 /nfs/dbraw/zinc/59/04/67/524590467.db2.gz NHAXXCVXJLUWNI-JTQLQIEISA-N 0 3 281.787 2.136 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C[C@@H]1C ZINC000068584382 524698534 /nfs/dbraw/zinc/69/85/34/524698534.db2.gz HJGKAPSRVGIPBJ-BFJAYTPKSA-N 0 3 274.408 2.497 10 0 CEAEHN C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)[C@H](C)CN1 ZINC000062656411 524756874 /nfs/dbraw/zinc/75/68/74/524756874.db2.gz MQZIKUHXLIUSFJ-CHWSQXEVSA-N 0 3 260.381 2.173 10 0 CEAEHN Cc1ccc(F)c(C(=O)N[C@H](C)CN2CCCC2)c1 ZINC000053009599 524798904 /nfs/dbraw/zinc/79/89/04/524798904.db2.gz XJXINSSUYDWHMZ-GFCCVEGCSA-N 0 3 264.344 2.348 10 0 CEAEHN Cc1cccc(SCCC[C@](C)(N)C(N)=O)c1 ZINC000045595611 524809647 /nfs/dbraw/zinc/80/96/47/524809647.db2.gz GAEFIGZUGRRAEH-ZDUSSCGKSA-N 0 3 252.383 2.070 10 0 CEAEHN C[C@H](N)c1nc(Cc2ccc(F)cc2Cl)n[nH]1 ZINC000062609404 524868489 /nfs/dbraw/zinc/86/84/89/524868489.db2.gz WGRXDWYVVOLCNS-LURJTMIESA-N 0 3 254.696 2.208 10 0 CEAEHN C[C@H](N)c1nnc(Cc2ccc(F)cc2Cl)[nH]1 ZINC000062609404 524868500 /nfs/dbraw/zinc/86/85/00/524868500.db2.gz WGRXDWYVVOLCNS-LURJTMIESA-N 0 3 254.696 2.208 10 0 CEAEHN Cc1ccc(F)cc1[N-]S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630853 524869659 /nfs/dbraw/zinc/86/96/59/524869659.db2.gz CIGZVQDYWZKIEE-GFCCVEGCSA-N 0 3 286.372 2.018 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)CCCc1cccs1 ZINC000069133041 525100047 /nfs/dbraw/zinc/10/00/47/525100047.db2.gz LHALWQDNDSMSEB-TXEJJXNPSA-N 0 3 266.410 2.280 10 0 CEAEHN COc1ccc([C@@H](CNC(=O)C=C(C)C)N(C)C)cc1 ZINC000068194308 525182953 /nfs/dbraw/zinc/18/29/53/525182953.db2.gz LLUIICWOEHNLDX-OAHLLOKOSA-N 0 3 276.380 2.380 10 0 CEAEHN C[C@H](NCC(=O)NCc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000183151441 525307879 /nfs/dbraw/zinc/30/78/79/525307879.db2.gz UCOGHJNGZZVCBA-FZMZJTMJSA-N 0 3 296.798 2.113 10 0 CEAEHN COc1ccc([C@H](O)[C@H](N)c2ccccc2)cc1OC ZINC000054682340 525379467 /nfs/dbraw/zinc/37/94/67/525379467.db2.gz WTJNLWXCIYIEEW-CVEARBPZSA-N 0 3 273.332 2.437 10 0 CEAEHN C[C@@H](NCC(=O)Nc1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000183089786 525411546 /nfs/dbraw/zinc/41/15/46/525411546.db2.gz GNEHCNKQQWBMML-RNCFNFMXSA-N 0 3 284.306 2.060 10 0 CEAEHN C[C@@H](NC[C@@H](O)CN1CCCCC1)c1cc(F)ccc1F ZINC000151258545 525474996 /nfs/dbraw/zinc/47/49/96/525474996.db2.gz ZTXDSNKSWCXJCD-TZMCWYRMSA-N 0 3 298.377 2.462 10 0 CEAEHN CSCCCN[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000069433962 525481661 /nfs/dbraw/zinc/48/16/61/525481661.db2.gz BCKCTHLJPCSDKK-GFCCVEGCSA-N 0 3 285.434 2.248 10 0 CEAEHN CSCCNCc1c(C)nc2scc(C)n12 ZINC000068996941 525510893 /nfs/dbraw/zinc/51/08/93/525510893.db2.gz LQMAPHDHFCFQND-UHFFFAOYSA-N 0 3 255.412 2.465 10 0 CEAEHN CSCCN[C@H]1CC(=O)N(C)c2ccccc21 ZINC000069427534 525512066 /nfs/dbraw/zinc/51/20/66/525512066.db2.gz HGIIANFVQOBDKX-NSHDSACASA-N 0 3 250.367 2.047 10 0 CEAEHN CSC[C@H](C)CN[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000069438822 525683308 /nfs/dbraw/zinc/68/33/08/525683308.db2.gz HTPSAEDSJJAVQQ-YPMHNXCESA-N 0 3 299.461 2.494 10 0 CEAEHN Cc1ccc([C@@H](CN)Sc2nnc3ccccn32)o1 ZINC000061406411 525756562 /nfs/dbraw/zinc/75/65/62/525756562.db2.gz LXQUCOXGPSUANN-LLVKDONJSA-N 0 3 274.349 2.423 10 0 CEAEHN COc1cccc(CN)c1O[C@H]1CCC[C@H](OC)C1 ZINC000070323423 525925916 /nfs/dbraw/zinc/92/59/16/525925916.db2.gz JRPPZUDXCOBCNJ-STQMWFEESA-N 0 3 265.353 2.490 10 0 CEAEHN O=C([O-])[C@H](CCN1CC[C@H](c2ccccc2)C1)[NH2+]C1CC1 ZINC000062530970 526300578 /nfs/dbraw/zinc/30/05/78/526300578.db2.gz LIYAFRIQNZBETK-HOCLYGCPSA-N 0 3 288.391 2.071 10 0 CEAEHN O=C([O-])[C@H](CC[N@@H+]1CC[C@H](c2ccccc2)C1)NC1CC1 ZINC000062530970 526300586 /nfs/dbraw/zinc/30/05/86/526300586.db2.gz LIYAFRIQNZBETK-HOCLYGCPSA-N 0 3 288.391 2.071 10 0 CEAEHN O=C([O-])[C@H](CC[N@H+]1CC[C@H](c2ccccc2)C1)NC1CC1 ZINC000062530970 526300590 /nfs/dbraw/zinc/30/05/90/526300590.db2.gz LIYAFRIQNZBETK-HOCLYGCPSA-N 0 3 288.391 2.071 10 0 CEAEHN Cc1nn([C@@H](CN)c2cccnc2)c(C)c1Cl ZINC000050586341 526302962 /nfs/dbraw/zinc/30/29/62/526302962.db2.gz ZJYZNEJVMPSRFT-NSHDSACASA-N 0 3 250.733 2.096 10 0 CEAEHN Cc1nnc(Oc2cc(F)cc(F)c2)c(C(=N)N)c1C ZINC000054933188 526376709 /nfs/dbraw/zinc/37/67/09/526376709.db2.gz UDUJVGAJTDUKIX-UHFFFAOYSA-N 0 3 278.262 2.448 10 0 CEAEHN c1cc(N2CCO[C@H]3CCC[C@@H]32)cc(CNC2CC2)n1 ZINC000051485679 526433485 /nfs/dbraw/zinc/43/34/85/526433485.db2.gz MFKMDKZOAGLAMP-HOTGVXAUSA-N 0 3 273.380 2.091 10 0 CEAEHN Cc1nc(N2CCN(C(C)(C)C)CC2)sc1[C@H](C)N ZINC000054898192 526967057 /nfs/dbraw/zinc/96/70/57/526967057.db2.gz XSISOYYJPGOQJB-JTQLQIEISA-N 0 3 282.457 2.392 10 0 CEAEHN [NH3+]C1(c2ncc(-c3nc(-c4ccco4)no3)[n-]2)CCC1 ZINC000054445204 527133402 /nfs/dbraw/zinc/13/34/02/527133402.db2.gz WWXXHROEXATWBO-UHFFFAOYSA-N 0 3 271.280 2.058 10 0 CEAEHN NC1(c2nc(-c3nc(-c4ccco4)no3)c[nH]2)CCC1 ZINC000054445204 527133405 /nfs/dbraw/zinc/13/34/05/527133405.db2.gz WWXXHROEXATWBO-UHFFFAOYSA-N 0 3 271.280 2.058 10 0 CEAEHN NC[C@@H](NC(=O)CC[C@@H]1CCCCO1)c1ccccc1 ZINC000069405594 527203232 /nfs/dbraw/zinc/20/32/32/527203232.db2.gz CQWQUWKPAOKBSE-LSDHHAIUSA-N 0 3 276.380 2.152 10 0 CEAEHN NCc1ccc(Cl)cc1N(CC(N)=O)C1CCCC1 ZINC000062786963 527253390 /nfs/dbraw/zinc/25/33/90/527253390.db2.gz LYHUWCUZVZSQMP-UHFFFAOYSA-N 0 3 281.787 2.033 10 0 CEAEHN NCc1ccc(F)cc1CS(=O)(=O)c1ccc(F)cc1 ZINC000069403899 527255147 /nfs/dbraw/zinc/25/51/47/527255147.db2.gz SDKGRLSEKRGSNJ-UHFFFAOYSA-N 0 3 297.326 2.397 10 0 CEAEHN NCc1cnc(N2CCN(c3ccccc3F)CC2)s1 ZINC000054863855 527261780 /nfs/dbraw/zinc/26/17/80/527261780.db2.gz XNPRODHUTAFUTG-UHFFFAOYSA-N 0 3 292.383 2.068 10 0 CEAEHN NCc1cnn(Cc2cccc(Br)c2)c1 ZINC000054716755 527263410 /nfs/dbraw/zinc/26/34/10/527263410.db2.gz YKSKITPAZMDPAL-UHFFFAOYSA-N 0 3 266.142 2.153 10 0 CEAEHN Cc1ncc(CNC[C@@H]2Cc3ccccc3CN2)s1 ZINC000049538898 527271953 /nfs/dbraw/zinc/27/19/53/527271953.db2.gz XGCPUELTAMMCRH-AWEZNQCLSA-N 0 3 273.405 2.256 10 0 CEAEHN Cc1nccc(CNCCc2cc(F)cc(F)c2)n1 ZINC000054790935 527337571 /nfs/dbraw/zinc/33/75/71/527337571.db2.gz SHRJYBLANKDXHR-UHFFFAOYSA-N 0 3 263.291 2.396 10 0 CEAEHN Cc1nn(C)c(C)c1-c1c[nH]c(CNC(C)(C)C)n1 ZINC000069236481 527600911 /nfs/dbraw/zinc/60/09/11/527600911.db2.gz BTACHGMNEKWRQZ-UHFFFAOYSA-N 0 3 261.373 2.315 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000173339614 527705892 /nfs/dbraw/zinc/70/58/92/527705892.db2.gz OMXXCYYOLALACC-JKSUJKDBSA-N 0 3 295.471 2.097 10 0 CEAEHN CC(C)OCCN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000174240182 527955723 /nfs/dbraw/zinc/95/57/23/527955723.db2.gz YZPZOGXJMKOHAT-ZDUSSCGKSA-N 0 3 286.416 2.401 10 0 CEAEHN CCOCCC1(C(=O)N[C@@H]2CCCN(CC)C2)CCC1 ZINC000178465335 528607715 /nfs/dbraw/zinc/60/77/15/528607715.db2.gz SEVUOKRTJVONGO-CQSZACIVSA-N 0 3 282.428 2.184 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nc(C)c(C)o1 ZINC000175335506 529068918 /nfs/dbraw/zinc/06/89/18/529068918.db2.gz VOILUTLIVVOLHZ-CYBMUJFWSA-N 0 3 251.374 2.208 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)OCC(F)(F)F)C1 ZINC000177029548 529088283 /nfs/dbraw/zinc/08/82/83/529088283.db2.gz FCFQACAEKQEOPA-BDAKNGLRSA-N 0 3 268.279 2.004 10 0 CEAEHN CC[C@H]1CN(C(=O)N[C@@H]2CCCN(CC)C2)CCS1 ZINC000174235064 529275330 /nfs/dbraw/zinc/27/53/30/529275330.db2.gz WNFKXSGIGMBLKH-OLZOCXBDSA-N 0 3 285.457 2.008 10 0 CEAEHN C[C@@H]1C[C@H](C)CN(S(=O)(=O)C[C@@H](N)CC(C)(C)C)C1 ZINC000757152075 574510852 /nfs/dbraw/zinc/51/08/52/574510852.db2.gz SDAUWVPJNYEZQG-XQQFMLRXSA-N 0 3 290.473 2.058 10 0 CEAEHN COC[C@H](C)NCCOc1ccc(F)cc1Cl ZINC000053586281 574577236 /nfs/dbraw/zinc/57/72/36/574577236.db2.gz WCVMAZCUARWIPK-VIFPVBQESA-N 0 3 261.724 2.482 10 0 CEAEHN CCN1CCC[C@@H]1CNS(=O)(=O)/C=C\c1ccccc1 ZINC000255200629 623348250 /nfs/dbraw/zinc/34/82/50/623348250.db2.gz VSTCSLVZRGZJJQ-KUGGDMIFSA-N 0 3 294.420 2.061 10 0 CEAEHN C[C@H](NC[C@H]1CNC(=O)O1)c1ccc(Cl)s1 ZINC000309504853 628146749 /nfs/dbraw/zinc/14/67/49/628146749.db2.gz BQZFATQYDPKNTB-BQBZGAKWSA-N 0 3 260.746 2.161 10 0 CEAEHN CCCC(=O)N[C@H]1CCCN(C[C@H]2CCC=CO2)C1 ZINC000249023627 628763350 /nfs/dbraw/zinc/76/33/50/628763350.db2.gz KPDFNAMZUAEKLB-UONOGXRCSA-N 0 3 266.385 2.060 10 0 CEAEHN CNC(=O)[C@H](NCc1ccc2c(c1)CC(C)(C)O2)C(C)C ZINC000178950571 629843210 /nfs/dbraw/zinc/84/32/10/629843210.db2.gz MSNYRMYSMIWTTO-OAHLLOKOSA-N 0 3 290.407 2.260 10 0 CEAEHN C[C@H]1CN(C[C@@](C)(O)c2ccccc2)CC(C)(C)O1 ZINC000226150571 639526901 /nfs/dbraw/zinc/52/69/01/639526901.db2.gz ZBHQYEMYRHILBR-XJKSGUPXSA-N 0 3 263.381 2.393 10 0 CEAEHN COC(=O)Cc1ccccc1CN1CCS[C@@H](C)C1 ZINC000152450592 640236731 /nfs/dbraw/zinc/23/67/31/640236731.db2.gz VRQICPPXMXDFOV-LBPRGKRZSA-N 0 3 279.405 2.339 10 0 CEAEHN COC(=O)C[C@H](N)c1ccsc1Br ZINC000238363521 641474506 /nfs/dbraw/zinc/47/45/06/641474506.db2.gz HEYIRIZGPGPIGM-LURJTMIESA-N 0 3 264.144 2.074 10 0 CEAEHN O=C(NC[C@H](c1ccccc1)N1CCCC1)n1ccnc1 ZINC000123450308 648990663 /nfs/dbraw/zinc/99/06/63/648990663.db2.gz FNVQSHZDNFRQDK-OAHLLOKOSA-N 0 3 284.363 2.278 10 0 CEAEHN C[C@H](NCC[S@@](C)=O)c1cccc(Br)c1 ZINC000128674570 651535448 /nfs/dbraw/zinc/53/54/48/651535448.db2.gz LAQRFZNSFDMOMQ-VFZGTOFNSA-N 0 3 290.226 2.478 10 0 CEAEHN C[C@H]1C[C@H]1CN(C)Cc1nc(NN)ccc1Cl ZINC000082650045 178141608 /nfs/dbraw/zinc/14/16/08/178141608.db2.gz JBENRDNEFCKQCR-IUCAKERBSA-N 0 3 254.765 2.108 10 0 CEAEHN Cc1cc([C@H](C)NC(=O)C2(N)CCOCC2)c(C)s1 ZINC000127772921 187331830 /nfs/dbraw/zinc/33/18/30/187331830.db2.gz FPPNWNPUGBPQBA-JTQLQIEISA-N 0 3 282.409 2.050 10 0 CEAEHN COc1ccc(-c2nc(C)cc(NN)n2)cc1Cl ZINC000083188658 178352828 /nfs/dbraw/zinc/35/28/28/178352828.db2.gz UNXCNCJKEBEXRK-UHFFFAOYSA-N 0 3 264.716 2.400 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000037032608 361889921 /nfs/dbraw/zinc/88/99/21/361889921.db2.gz VSICZIQIUDOUEL-CABZTGNLSA-N 0 3 268.332 2.139 10 0 CEAEHN Cn1cnc([C@H](N)Cc2ccccc2Br)c1 ZINC000096978555 185145844 /nfs/dbraw/zinc/14/58/44/185145844.db2.gz KXVFIUXGBRUACU-LLVKDONJSA-N 0 3 280.169 2.425 10 0 CEAEHN CN1CCC[C@]2(C[C@@H](O)c3ccc(F)cc3O2)C1 ZINC000097005312 185150937 /nfs/dbraw/zinc/15/09/37/185150937.db2.gz BKRRGMFRMYBNIL-OCCSQVGLSA-N 0 3 251.301 2.106 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1nccnc1C ZINC000621718981 349676086 /nfs/dbraw/zinc/67/60/86/349676086.db2.gz YXZHBINTGBMVQZ-CABCVRRESA-N 0 3 274.412 2.234 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1nccnc1C ZINC000621718983 349676833 /nfs/dbraw/zinc/67/68/33/349676833.db2.gz YXZHBINTGBMVQZ-HUUCEWRRSA-N 0 3 274.412 2.234 10 0 CEAEHN Cc1ccc(Br)c2c1NC[C@@]21C[C@@H]1N ZINC000725247319 539192203 /nfs/dbraw/zinc/19/22/03/539192203.db2.gz MIJFNUWGNJCWTO-GZMMTYOYSA-N 0 3 253.143 2.152 10 0 CEAEHN N[C@H]1C[C@@]12CNc1cc(Cl)c(Br)cc12 ZINC000725247202 539192276 /nfs/dbraw/zinc/19/22/76/539192276.db2.gz JZKHPJWYGMQCFK-UWVGGRQHSA-N 0 3 273.561 2.497 10 0 CEAEHN Cc1ccc(Br)c2c1NC[C@@]21C[C@H]1N ZINC000725247323 539192359 /nfs/dbraw/zinc/19/23/59/539192359.db2.gz MIJFNUWGNJCWTO-LDYMZIIASA-N 0 3 253.143 2.152 10 0 CEAEHN CCc1cc(Br)cc2c1NC[C@@]21C[C@@H]1N ZINC000725247822 539192617 /nfs/dbraw/zinc/19/26/17/539192617.db2.gz ZQBSQBCRIXWFJW-JQWIXIFHSA-N 0 3 267.170 2.406 10 0 CEAEHN Cc1nccc(CN[C@H]2CCc3ccccc3C2)n1 ZINC000037997823 282184750 /nfs/dbraw/zinc/18/47/50/282184750.db2.gz VLGBDVXZQMMASU-HNNXBMFYSA-N 0 3 253.349 2.432 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000152200807 282199182 /nfs/dbraw/zinc/19/91/82/282199182.db2.gz LHBVEHZNUOUJIS-CVEARBPZSA-N 0 3 272.392 2.343 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CC[C@H]1CCOC1 ZINC000300420444 539250186 /nfs/dbraw/zinc/25/01/86/539250186.db2.gz JIIULZUPHIFAPE-XHSDSOJGSA-N 0 3 266.429 2.362 10 0 CEAEHN C[C@@H]1C[C@H](N)c2cc(Br)ccc2[S@@]1=O ZINC000040976818 362010083 /nfs/dbraw/zinc/01/00/83/362010083.db2.gz QCPDGRFNHXEZRE-MIBRVMSUSA-N 0 3 274.183 2.349 10 0 CEAEHN COC(=O)C[C@@H](N)c1ccc(Br)cc1F ZINC000036670199 343423659 /nfs/dbraw/zinc/42/36/59/343423659.db2.gz GDYZFUYWCOOSBV-SECBINFHSA-N 0 3 276.105 2.151 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000170856459 282264330 /nfs/dbraw/zinc/26/43/30/282264330.db2.gz FYCWCPXHSMZHMN-JTQLQIEISA-N 0 3 286.297 2.482 10 0 CEAEHN c1ccc(OCCNC[C@H]2COc3ccccc3O2)cc1 ZINC000038352501 343434094 /nfs/dbraw/zinc/43/40/94/343434094.db2.gz SEVMYASGWWEGRG-HNNXBMFYSA-N 0 3 285.343 2.495 10 0 CEAEHN CCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](C)CCN2)c1 ZINC000126971842 187273678 /nfs/dbraw/zinc/27/36/78/187273678.db2.gz KERKZXYEWOVCHW-RISCZKNCSA-N 0 3 290.363 2.190 10 0 CEAEHN Cn1cc([C@@H](N)Cc2ccc(Br)s2)cn1 ZINC000083572615 178583007 /nfs/dbraw/zinc/58/30/07/178583007.db2.gz WUOGMGXAISIAAH-VIFPVBQESA-N 0 3 286.198 2.487 10 0 CEAEHN COC(=O)c1csc(CN2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000602472192 347046454 /nfs/dbraw/zinc/04/64/54/347046454.db2.gz OXUXDXZEYHBUKM-YPMHNXCESA-N 0 3 294.420 2.203 10 0 CEAEHN C[C@@H]1CCC[C@H](CCNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129759503 344346791 /nfs/dbraw/zinc/34/67/91/344346791.db2.gz XZVXPUAMESWIJE-HUUCEWRRSA-N 0 3 295.471 2.003 10 0 CEAEHN CCCC[C@@H](N)C(=O)N1CCC(C2CCOCC2)CC1 ZINC000195554775 344522171 /nfs/dbraw/zinc/52/21/71/344522171.db2.gz DORSVABKAOJVMC-OAHLLOKOSA-N 0 3 282.428 2.169 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@H](NC2CC2)[C@H](F)C1 ZINC000223650803 344543294 /nfs/dbraw/zinc/54/32/94/344543294.db2.gz SVPOAIXSYHYJCJ-GHMZBOCLSA-N 0 3 258.337 2.086 10 0 CEAEHN Cn1cc(N)c(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000231659658 344575287 /nfs/dbraw/zinc/57/52/87/344575287.db2.gz XOQQCRJEJAWROZ-CQSZACIVSA-N 0 3 285.395 2.079 10 0 CEAEHN C[C@@H](c1cc(Br)cs1)N1CC(N)C1 ZINC000229862231 344569205 /nfs/dbraw/zinc/56/92/05/344569205.db2.gz ALRUHBQAAJOBHF-LURJTMIESA-N 0 3 261.188 2.215 10 0 CEAEHN Brc1csc(CC[C@H]2COCCN2)c1 ZINC000229872144 344569737 /nfs/dbraw/zinc/56/97/37/344569737.db2.gz HZRHCEJFOJLVPK-VIFPVBQESA-N 0 3 276.199 2.432 10 0 CEAEHN O[C@@H](c1occc1Br)[C@@H]1CCCCN1 ZINC000236545810 344595757 /nfs/dbraw/zinc/59/57/57/344595757.db2.gz NIZBBWAVGSSCNP-DTWKUNHWSA-N 0 3 260.131 2.218 10 0 CEAEHN CN[C@H](CN)c1cc(Br)ccc1Cl ZINC000234447264 344585082 /nfs/dbraw/zinc/58/50/82/344585082.db2.gz QLQLHRFOCRVIKS-SECBINFHSA-N 0 3 263.566 2.322 10 0 CEAEHN CCN(C(=O)CN1CCC[C@H]1CCCO)C1CCCCC1 ZINC000052762264 362474215 /nfs/dbraw/zinc/47/42/15/362474215.db2.gz KNAVBXMISKPPFG-HNNXBMFYSA-N 0 3 296.455 2.405 10 0 CEAEHN NCc1ccc(OC(F)(F)F)nc1Br ZINC000238682589 344607723 /nfs/dbraw/zinc/60/77/23/344607723.db2.gz BDWQSFZZSWPWDW-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@@H]2CCCC[C@H]2C)CC1 ZINC000248454795 344622898 /nfs/dbraw/zinc/62/28/98/344622898.db2.gz HPAXNGFARITOPS-PMPSAXMXSA-N 0 3 268.445 2.201 10 0 CEAEHN CCC[C@@H](C)CN1CCN(CCOCC)[C@@H](C)C1 ZINC000252733713 344641349 /nfs/dbraw/zinc/64/13/49/344641349.db2.gz BJWCWBJOZPCNSH-CABCVRRESA-N 0 3 256.434 2.465 10 0 CEAEHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)NCCS2 ZINC000401678268 344869128 /nfs/dbraw/zinc/86/91/28/344869128.db2.gz FJLGRUPBJUJJFO-GXFFZTMASA-N 0 3 272.414 2.296 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2CO[C@H](C)C2)c1C ZINC000402280778 344872262 /nfs/dbraw/zinc/87/22/62/344872262.db2.gz FZROYFMIGJBADW-GBIKHYSHSA-N 0 3 251.374 2.348 10 0 CEAEHN Fc1ccc(CN2CC[C@@H]3OCCN[C@@H]3C2)c(Cl)c1 ZINC000404288515 344879059 /nfs/dbraw/zinc/87/90/59/344879059.db2.gz ZBRXOPMTBANROM-KGLIPLIRSA-N 0 3 284.762 2.042 10 0 CEAEHN CCN[C@H](C[S@](=O)CCOC)c1cc(C)ccc1OC ZINC000084035430 178774638 /nfs/dbraw/zinc/77/46/38/178774638.db2.gz ZSQCTFNQCHXCKM-VLIAUNLRSA-N 0 3 299.436 2.049 10 0 CEAEHN COc1ccc([C@@H](O)[C@H](C)N2CCCC2)cc1OC ZINC000584621121 344966859 /nfs/dbraw/zinc/96/68/59/344966859.db2.gz YPVVPFCGHPFNTN-NHYWBVRUSA-N 0 3 265.353 2.222 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1 ZINC000116928808 232201604 /nfs/dbraw/zinc/20/16/04/232201604.db2.gz BJFBWCJJELBSEA-CYBMUJFWSA-N 0 3 297.786 2.134 10 0 CEAEHN CCN[C@H](Cc1c(Cl)c(C)nn1C)c1ccnnc1 ZINC000097273679 185575937 /nfs/dbraw/zinc/57/59/37/185575937.db2.gz SBNISVSPFJNFGF-LLVKDONJSA-N 0 3 279.775 2.065 10 0 CEAEHN CCOCC[C@@H](N)c1ccccc1OCCOC ZINC000097415254 185598703 /nfs/dbraw/zinc/59/87/03/185598703.db2.gz CRDWSYVTRLYFGN-CYBMUJFWSA-N 0 3 253.342 2.138 10 0 CEAEHN COCCn1ncc(Cl)c1[C@@H](N)Cc1ccsc1 ZINC000097461901 185610303 /nfs/dbraw/zinc/61/03/03/185610303.db2.gz LEENGJGBBYQQMF-NSHDSACASA-N 0 3 285.800 2.487 10 0 CEAEHN Cc1ccc(C)c(OC[C@@](C)(CO)NC2CC2)c1C ZINC000085286261 179004182 /nfs/dbraw/zinc/00/41/82/179004182.db2.gz UJWRPRNERFABLP-MRXNPFEDSA-N 0 3 263.381 2.494 10 0 CEAEHN CCSC[C@](CO)(NC1CC1)c1ccccc1 ZINC000085298598 179009273 /nfs/dbraw/zinc/00/92/73/179009273.db2.gz KNUWXHJIUUAYGA-AWEZNQCLSA-N 0 3 251.395 2.379 10 0 CEAEHN N[C@H]1COC[C@@H]1c1nc2cccc(Cl)c2s1 ZINC000085352957 179029740 /nfs/dbraw/zinc/02/97/40/179029740.db2.gz BKMOBPAEGZZCRA-XPUUQOCRSA-N 0 3 254.742 2.391 10 0 CEAEHN C[C@@H](N)c1cc(F)ccc1N1CCCC[C@H]1CO ZINC000109568122 136529933 /nfs/dbraw/zinc/52/99/33/136529933.db2.gz BNXSVGLJNWXBIB-PWSUYJOCSA-N 0 3 252.333 2.197 10 0 CEAEHN CC(=O)c1c(F)cccc1N1CC[C@H](N(C)C)C1 ZINC000062965984 362735682 /nfs/dbraw/zinc/73/56/82/362735682.db2.gz WFPUQCSLDJZMBA-NSHDSACASA-N 0 3 250.317 2.169 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCCc2ccccc2C1 ZINC000062945957 362736256 /nfs/dbraw/zinc/73/62/56/362736256.db2.gz JEGKADBFVUTTAL-SWLSCSKDSA-N 0 3 260.381 2.335 10 0 CEAEHN CC(C)[C@H]1CN[C@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085506258 179084670 /nfs/dbraw/zinc/08/46/70/179084670.db2.gz PLSRNSHIYRTPEE-IXDOHACOSA-N 0 3 274.408 2.446 10 0 CEAEHN C[C@H]1CN[C@@](C)(c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085531707 179091447 /nfs/dbraw/zinc/09/14/47/179091447.db2.gz BRPUYZLVBUCNEN-BHYGNILZSA-N 0 3 274.408 2.375 10 0 CEAEHN C[C@@H]1CN[C@](C)(c2ccccc2)CN1CC(F)F ZINC000085531604 179091887 /nfs/dbraw/zinc/09/18/87/179091887.db2.gz CHUHRFTYHJMDLN-RISCZKNCSA-N 0 3 254.324 2.461 10 0 CEAEHN CC(C)Cc1nc2c(n1[C@H]1CCN(C3CC3)C1)CCNC2 ZINC000085573010 179098862 /nfs/dbraw/zinc/09/88/62/179098862.db2.gz JDIUZGVKAHOBJJ-AWEZNQCLSA-N 0 3 288.439 2.137 10 0 CEAEHN COc1ncccc1CN[C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674296 179111678 /nfs/dbraw/zinc/11/16/78/179111678.db2.gz NCLAUMPTKOPJLE-IHRRRGAJSA-N 0 3 276.380 2.383 10 0 CEAEHN CCN1CCN(c2ccc(N)c(OC(C)C)c2)CC1 ZINC000118389829 136575165 /nfs/dbraw/zinc/57/51/65/136575165.db2.gz IEPJPDJUEGJZFI-UHFFFAOYSA-N 0 3 263.385 2.198 10 0 CEAEHN C[C@@H](CNc1nc(Cl)ncc1Br)N(C)C ZINC000085787766 179171587 /nfs/dbraw/zinc/17/15/87/179171587.db2.gz XDRGPFDXMGSLNQ-LURJTMIESA-N 0 3 293.596 2.255 10 0 CEAEHN NCc1ccccc1NC(=O)[C@@H]1OCCc2ccccc21 ZINC000085810129 179177307 /nfs/dbraw/zinc/17/73/07/179177307.db2.gz JUOOAIKJYMSLPF-MRXNPFEDSA-N 0 3 282.343 2.398 10 0 CEAEHN N[C@H](c1csc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000086020174 179218136 /nfs/dbraw/zinc/21/81/36/179218136.db2.gz RMAPDAHBOYUOLE-RNCFNFMXSA-N 0 3 281.402 2.336 10 0 CEAEHN CCN[C@H](c1ccc(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086021015 179218797 /nfs/dbraw/zinc/21/87/97/179218797.db2.gz ISLNSUVFZPUKAN-DOMZBBRYSA-N 0 3 297.420 2.089 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(CCc2cccnc2)CCN1 ZINC000086141918 179236267 /nfs/dbraw/zinc/23/62/67/179236267.db2.gz YHBSNJOEVSTRPZ-SFHVURJKSA-N 0 3 281.403 2.445 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(CCc2ccccn2)CCN1 ZINC000086130604 179236895 /nfs/dbraw/zinc/23/68/95/179236895.db2.gz FRFKJPVOYZLTTA-SFHVURJKSA-N 0 3 281.403 2.445 10 0 CEAEHN Cn1cc(N2CC(C)(C)NC[C@@H]2c2ccccc2)cn1 ZINC000086218275 179249747 /nfs/dbraw/zinc/24/97/47/179249747.db2.gz HTPLDVUOVVUGDA-OAHLLOKOSA-N 0 3 270.380 2.350 10 0 CEAEHN COC(=O)c1cccnc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000336835013 365904209 /nfs/dbraw/zinc/90/42/09/365904209.db2.gz SZQQPPUZPLRINS-BETUJISGSA-N 0 3 274.364 2.490 10 0 CEAEHN CN(C[C@@H]1CCCO1)c1nc2c(s1)CCC[C@@H]2N ZINC000086443531 179293940 /nfs/dbraw/zinc/29/39/40/179293940.db2.gz GQHPLPSYAXZLID-UWVGGRQHSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H]1CN(C(=O)[C@H]2CC=CCC2)[C@H](CC)CN1 ZINC000086447873 179296020 /nfs/dbraw/zinc/29/60/20/179296020.db2.gz INRDTEBNMUFDCW-BFHYXJOUSA-N 0 3 250.386 2.332 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1ccccc1OC ZINC000086446303 179294836 /nfs/dbraw/zinc/29/48/36/179294836.db2.gz KTSDETCNKBULTF-LSDHHAIUSA-N 0 3 290.407 2.227 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccccc2OC)[C@@H](CC)CN1 ZINC000086446003 179295008 /nfs/dbraw/zinc/29/50/08/179295008.db2.gz JICOXGSIAVCEQB-STQMWFEESA-N 0 3 276.380 2.298 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc2c(c1)OCO2 ZINC000086447294 179295514 /nfs/dbraw/zinc/29/55/14/179295514.db2.gz DLYRDPVVYBKVBX-QWHCGFSZSA-N 0 3 290.363 2.018 10 0 CEAEHN C[C@@H](NCC(C)(C)S(C)(=O)=O)c1ccsc1 ZINC000086503307 179303381 /nfs/dbraw/zinc/30/33/81/179303381.db2.gz MYCJEKSUIATQKS-SECBINFHSA-N 0 3 261.412 2.222 10 0 CEAEHN C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)CN1 ZINC000086467929 179298947 /nfs/dbraw/zinc/29/89/47/179298947.db2.gz XGTJEWOVTMSBDU-HOGDBLQHSA-N 0 3 276.424 2.412 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC1=NC[C@@H](C)CS1 ZINC000086633009 179315393 /nfs/dbraw/zinc/31/53/93/179315393.db2.gz DLBIOTHSNVKTBH-VXGBXAGGSA-N 0 3 257.447 2.291 10 0 CEAEHN CNCc1csc(I)c1 ZINC000086688860 179320987 /nfs/dbraw/zinc/32/09/87/179320987.db2.gz SKPQXVWVOKXOCL-UHFFFAOYSA-N 0 3 253.108 2.072 10 0 CEAEHN O[C@@H](c1ccc2c(c1)OCO2)[C@H]1NCc2ccccc21 ZINC000086667409 179317414 /nfs/dbraw/zinc/31/74/14/179317414.db2.gz HBKGXYPTAYURDX-HOTGVXAUSA-N 0 3 269.300 2.293 10 0 CEAEHN Cc1cccc(CN[C@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086671438 179317554 /nfs/dbraw/zinc/31/75/54/179317554.db2.gz PKXRWIUHNMDKDT-UONOGXRCSA-N 0 3 267.394 2.050 10 0 CEAEHN C[C@H](CN[C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000086671487 179317618 /nfs/dbraw/zinc/31/76/18/179317618.db2.gz ORTOETBKKOKKQL-SNPRPXQTSA-N 0 3 281.421 2.345 10 0 CEAEHN Cc1ccccc1CN[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000086674777 179318884 /nfs/dbraw/zinc/31/88/84/179318884.db2.gz RSESOHLLAIQQFG-ZIAGYGMSSA-N 0 3 267.394 2.050 10 0 CEAEHN CC[C@H](C1CC1)N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776220 179327748 /nfs/dbraw/zinc/32/77/48/179327748.db2.gz DETPSNSYKYTQCJ-HUUCEWRRSA-N 0 3 280.412 2.188 10 0 CEAEHN CC[C@H](C1CC1)N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776220 179327750 /nfs/dbraw/zinc/32/77/50/179327750.db2.gz DETPSNSYKYTQCJ-HUUCEWRRSA-N 0 3 280.412 2.188 10 0 CEAEHN Cc1ccccc1[C@H](C)N1CCO[C@H](CN(C)C)C1 ZINC000130366592 365948875 /nfs/dbraw/zinc/94/88/75/365948875.db2.gz PBKYSHFWENECLL-LSDHHAIUSA-N 0 3 262.397 2.318 10 0 CEAEHN CCOCCN1CCN(Cc2ccncc2)C[C@H]1CC ZINC000130388818 365951045 /nfs/dbraw/zinc/95/10/45/365951045.db2.gz JXHRJYHTPQKGAN-MRXNPFEDSA-N 0 3 277.412 2.014 10 0 CEAEHN CN(Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC000086834414 179350078 /nfs/dbraw/zinc/35/00/78/179350078.db2.gz XMADHEBXQRWBJD-OAHLLOKOSA-N 0 3 276.380 2.301 10 0 CEAEHN CN(Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC000086834414 179350079 /nfs/dbraw/zinc/35/00/79/179350079.db2.gz XMADHEBXQRWBJD-OAHLLOKOSA-N 0 3 276.380 2.301 10 0 CEAEHN CCN1CCC[C@@](NC)(c2nc(C)cs2)CC1 ZINC000086851390 179359509 /nfs/dbraw/zinc/35/95/09/179359509.db2.gz AEDPJNQWRJDSOB-ZDUSSCGKSA-N 0 3 253.415 2.372 10 0 CEAEHN CCC[C@@](C)([NH2+][C@@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086868655 179361257 /nfs/dbraw/zinc/36/12/57/179361257.db2.gz HVNZCNGIEKGVJX-UKRRQHHQSA-N 0 3 270.417 2.482 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CC(=O)[O-])CC(C)C)CC1 ZINC000086869085 179361802 /nfs/dbraw/zinc/36/18/02/179361802.db2.gz SEMSCINLEJGMDL-AWEZNQCLSA-N 0 3 270.417 2.294 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CC(=O)[O-])CC(C)C)CC1 ZINC000086869085 179361803 /nfs/dbraw/zinc/36/18/03/179361803.db2.gz SEMSCINLEJGMDL-AWEZNQCLSA-N 0 3 270.417 2.294 10 0 CEAEHN COC(=O)[C@@]1(NCC(C)C)CCCN(C(C)C)CC1 ZINC000086850274 179358345 /nfs/dbraw/zinc/35/83/45/179358345.db2.gz VTIHSIXBOJKBNF-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CC(C)c1nc([C@]2(N)CCCN(C(C)C)CC2)no1 ZINC000086851749 179359117 /nfs/dbraw/zinc/35/91/17/179359117.db2.gz QXFWRCCFDLBXCM-AWEZNQCLSA-N 0 3 266.389 2.241 10 0 CEAEHN COCCN[C@]1(c2nc3c(s2)CCC3)CCCOCC1 ZINC000086877113 179365519 /nfs/dbraw/zinc/36/55/19/179365519.db2.gz BIDSVDHVNIUIDM-OAHLLOKOSA-N 0 3 296.436 2.264 10 0 CEAEHN COC(=O)[C@]1(NCCN(C)C)CCCC(C)(C)CC1 ZINC000086915931 179367167 /nfs/dbraw/zinc/36/71/67/179367167.db2.gz HIDRZULCPAAGRO-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN COC(=O)[C@]1(NCCN(C)C)CCC[C@H](C(C)C)CC1 ZINC000086949898 179369032 /nfs/dbraw/zinc/36/90/32/179369032.db2.gz WXDMLHAHNZGGRH-HOCLYGCPSA-N 0 3 284.444 2.286 10 0 CEAEHN CN[C@@H](c1cnccc1C)[C@H]1CSCCS1 ZINC000086984801 179373894 /nfs/dbraw/zinc/37/38/94/179373894.db2.gz LOJMBSYCWGOIFC-NEPJUHHUSA-N 0 3 254.424 2.499 10 0 CEAEHN CCCn1cc([C@H](N)[C@H]2CSCCS2)cn1 ZINC000086984265 179374116 /nfs/dbraw/zinc/37/41/16/179374116.db2.gz IPEPAJLBOKNQQJ-MNOVXSKESA-N 0 3 257.428 2.142 10 0 CEAEHN COc1ccc([C@H](CN)N2CCCSCC2)cc1F ZINC000086991746 179375400 /nfs/dbraw/zinc/37/54/00/179375400.db2.gz QCZPMGQYBXEATL-ZDUSSCGKSA-N 0 3 284.400 2.273 10 0 CEAEHN COc1ccc([C@H]2[C@H](N)CC(=O)N2C(C)(C)C)cc1F ZINC000086995272 179375995 /nfs/dbraw/zinc/37/59/95/179375995.db2.gz KEXVHBIRTFJPMA-RISCZKNCSA-N 0 3 280.343 2.234 10 0 CEAEHN C[C@@H](NCC1(O)CCC(C)(C)CC1)c1cc[nH]n1 ZINC000087046476 179388044 /nfs/dbraw/zinc/38/80/44/179388044.db2.gz WURJEVTXDBNIHU-LLVKDONJSA-N 0 3 251.374 2.392 10 0 CEAEHN CCC1CCC(O)(CNCc2[nH]cnc2C)CC1 ZINC000087061411 179389390 /nfs/dbraw/zinc/38/93/90/179389390.db2.gz SDKCAEIYJJEBJO-UHFFFAOYSA-N 0 3 251.374 2.139 10 0 CEAEHN CC[C@@H](C[NH3+])C(=O)Nc1cc(Br)ccc1[O-] ZINC000087049223 179388760 /nfs/dbraw/zinc/38/87/60/179388760.db2.gz VLSCDIPDDLSDOB-ZETCQYMHSA-N 0 3 287.157 2.078 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2cccc(OC)c2OC)O1 ZINC000087090157 179394402 /nfs/dbraw/zinc/39/44/02/179394402.db2.gz FXWGLJWXDBMLMI-GWCFXTLKSA-N 0 3 251.326 2.143 10 0 CEAEHN C[C@H]1CCC[C@](O)(CNCC(=O)Nc2ccccc2)C1 ZINC000087065150 179390170 /nfs/dbraw/zinc/39/01/70/179390170.db2.gz UQYWXIOIZWOXHR-XJKSGUPXSA-N 0 3 276.380 2.156 10 0 CEAEHN CCC1CCC(O)(CNC(=O)[C@]2(N)CCC[C@H](C)C2)CC1 ZINC000087070321 179391303 /nfs/dbraw/zinc/39/13/03/179391303.db2.gz SPOWTDYFHIUSCQ-DXCHVLGVSA-N 0 3 296.455 2.342 10 0 CEAEHN N[C@H]1CC(=O)N(c2ccc(Cl)c(Br)c2)C1 ZINC000087153287 179398153 /nfs/dbraw/zinc/39/81/53/179398153.db2.gz BUJVYWTZGLNREK-LURJTMIESA-N 0 3 289.560 2.167 10 0 CEAEHN CC(C)(N)c1cn(Cc2ccc(Cl)c(F)c2)nn1 ZINC000232521826 539620530 /nfs/dbraw/zinc/62/05/30/539620530.db2.gz QSXIGHDEYAFGSZ-UHFFFAOYSA-N 0 3 268.723 2.313 10 0 CEAEHN CN1CC[C@](O)(Cc2cccc(C(F)(F)F)c2)C1 ZINC000087166267 179398717 /nfs/dbraw/zinc/39/87/17/179398717.db2.gz ZIQYCNCZWLFGCW-LBPRGKRZSA-N 0 3 259.271 2.315 10 0 CEAEHN CNCc1cccc(OC)c1OCC[C@H]1CCCO1 ZINC000087246030 179404807 /nfs/dbraw/zinc/40/48/07/179404807.db2.gz WTUMKUVTXJOUCO-CYBMUJFWSA-N 0 3 265.353 2.363 10 0 CEAEHN CCN[C@](C)(CC(=O)OCC)c1ccccc1OC ZINC000087549216 179444694 /nfs/dbraw/zinc/44/46/94/179444694.db2.gz CVQUIXLSUGJITM-OAHLLOKOSA-N 0 3 265.353 2.473 10 0 CEAEHN COC(=O)[C@@H](C)CNCc1sccc1Br ZINC000087575583 179448330 /nfs/dbraw/zinc/44/83/30/179448330.db2.gz VDEMJMPEKGSDOK-ZETCQYMHSA-N 0 3 292.198 2.409 10 0 CEAEHN OCCc1cccc([C@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000616632796 348541050 /nfs/dbraw/zinc/54/10/50/348541050.db2.gz ATFYPTPBHBLVGC-LJQANCHMSA-N 0 3 296.414 2.368 10 0 CEAEHN CCN1CCCO[C@@H](c2cccc3nnccc32)C1 ZINC000616652683 348549384 /nfs/dbraw/zinc/54/93/84/348549384.db2.gz INTMQBDEQSBIDO-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN OCCN1CCCC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616656456 348549813 /nfs/dbraw/zinc/54/98/13/348549813.db2.gz XZRWAONMZBTTSI-CQSZACIVSA-N 0 3 271.364 2.192 10 0 CEAEHN CCCN[C@@H](c1cccc(F)c1F)[C@H]1COCCO1 ZINC000087858800 179503218 /nfs/dbraw/zinc/50/32/18/179503218.db2.gz VAQIKQBHSZOVQJ-OCCSQVGLSA-N 0 3 271.307 2.421 10 0 CEAEHN CC(C)(C)N1CCN[C@H](c2cnnc3ccccc32)C1 ZINC000616601528 348530937 /nfs/dbraw/zinc/53/09/37/348530937.db2.gz HSMKVYRSNQOGFI-HNNXBMFYSA-N 0 3 270.380 2.375 10 0 CEAEHN CCCn1ncnc1C[C@H](N)c1nccc2ccccc21 ZINC000088612373 179639038 /nfs/dbraw/zinc/63/90/38/179639038.db2.gz AJPUCKZKYPQROS-AWEZNQCLSA-N 0 3 281.363 2.479 10 0 CEAEHN CCC[C@@H]1C[C@H]1NC(=O)c1cccc2c1CCNC2 ZINC000233305248 539668649 /nfs/dbraw/zinc/66/86/49/539668649.db2.gz PYHVGDZVNHWXHG-IAQYHMDHSA-N 0 3 258.365 2.251 10 0 CEAEHN CN[C@H](Cc1c(Cl)c(C)nn1C)c1ccncc1 ZINC000089250674 179760518 /nfs/dbraw/zinc/76/05/18/179760518.db2.gz PULLBIBPOSSTEQ-LLVKDONJSA-N 0 3 264.760 2.280 10 0 CEAEHN OC[C@H]1CCC[C@@H]1CNCc1cccc(F)c1F ZINC000089486684 179801822 /nfs/dbraw/zinc/80/18/22/179801822.db2.gz OKXGJAYYJITEDZ-ZYHUDNBSSA-N 0 3 255.308 2.463 10 0 CEAEHN O[C@H]1COCC[C@@H]1NCc1cc(F)cc(C(F)(F)F)c1 ZINC000623765319 350106364 /nfs/dbraw/zinc/10/63/64/350106364.db2.gz QUABJHVQIQRDOR-RYUDHWBXSA-N 0 3 293.260 2.084 10 0 CEAEHN C[C@@]1(C(=O)Nc2cccc3ccccc32)COC[C@@H]1N ZINC000090580171 180008599 /nfs/dbraw/zinc/00/85/99/180008599.db2.gz ZVTDARXZFUDHBB-GOEBONIOSA-N 0 3 270.332 2.142 10 0 CEAEHN Cc1cc(OC(C)C)ccc1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090590072 180010075 /nfs/dbraw/zinc/01/00/75/180010075.db2.gz WDVAKIHCECJIGI-HOCLYGCPSA-N 0 3 292.379 2.085 10 0 CEAEHN CCN(Cc1cccc(Cl)c1)C(=O)[C@]1(C)COC[C@@H]1N ZINC000090592278 180010370 /nfs/dbraw/zinc/01/03/70/180010370.db2.gz QOHARZQLKBDCQS-DZGCQCFKSA-N 0 3 296.798 2.052 10 0 CEAEHN CCCN(Cc1ccc(C)cc1)C(=O)[C@]1(C)COC[C@H]1N ZINC000090590693 180010438 /nfs/dbraw/zinc/01/04/38/180010438.db2.gz ABPPINMUDJTBID-NVXWUHKLSA-N 0 3 290.407 2.097 10 0 CEAEHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@]1(C)COC[C@@H]1N ZINC000090591797 180010498 /nfs/dbraw/zinc/01/04/98/180010498.db2.gz AVAQQEIQKLCUMX-DGFSRKRXSA-N 0 3 296.798 2.223 10 0 CEAEHN CN[C@@](CO)(CO[C@H](C)C(F)(F)F)c1ccccc1 ZINC000090676023 180022584 /nfs/dbraw/zinc/02/25/84/180022584.db2.gz YKSQOMXJDRTPGN-PWSUYJOCSA-N 0 3 277.286 2.061 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)c1cccc(F)c1 ZINC000090699846 180027823 /nfs/dbraw/zinc/02/78/23/180027823.db2.gz IGIVCAWZRWETGH-CQSZACIVSA-N 0 3 296.411 2.335 10 0 CEAEHN CCC(=O)N1CCCSC[C@@H]1CN1CCCCC1 ZINC000090701264 180028121 /nfs/dbraw/zinc/02/81/21/180028121.db2.gz OVQIJUFCRHCJSF-ZDUSSCGKSA-N 0 3 270.442 2.216 10 0 CEAEHN C[C@H](NC[C@H](C)[S@](C)=O)c1ccc(F)c(F)c1 ZINC000090841301 180043403 /nfs/dbraw/zinc/04/34/03/180043403.db2.gz YXJJOJXZFFXTBE-IRWWLHRVSA-N 0 3 261.337 2.382 10 0 CEAEHN COc1cc(CNC[C@@H]2Cc3cc(F)ccc3O2)ccn1 ZINC000090892745 180055340 /nfs/dbraw/zinc/05/53/40/180055340.db2.gz WQQUQSDGJFYGIC-AWEZNQCLSA-N 0 3 288.322 2.323 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2csc([C@@H](C)N)n2)CC1 ZINC000090958534 180074594 /nfs/dbraw/zinc/07/45/94/180074594.db2.gz BRXJHBDWVLYALA-NWDGAFQWSA-N 0 3 282.457 2.079 10 0 CEAEHN CC(=O)Nc1ccsc1CNC1(CO)CCCC1 ZINC000090960610 180075303 /nfs/dbraw/zinc/07/53/03/180075303.db2.gz DSNGVQCLRFTPMY-UHFFFAOYSA-N 0 3 268.382 2.101 10 0 CEAEHN CC(=O)Nc1ccsc1CNC[C@H]1CCCC[C@H]1O ZINC000090960827 180076153 /nfs/dbraw/zinc/07/61/53/180076153.db2.gz JKQJGQATKDGHGJ-DGCLKSJQSA-N 0 3 282.409 2.347 10 0 CEAEHN Nc1ccccc1CNCc1ccc2c(c1)OCCO2 ZINC000090961166 180076309 /nfs/dbraw/zinc/07/63/09/180076309.db2.gz HDUDSOTYIVBFMV-UHFFFAOYSA-N 0 3 270.332 2.330 10 0 CEAEHN CCOC[C@H](C)NCc1ccccc1NC(C)=O ZINC000090962479 180077543 /nfs/dbraw/zinc/07/75/43/180077543.db2.gz BKEKSRUQKFZNOW-NSHDSACASA-N 0 3 250.342 2.160 10 0 CEAEHN CC(C)CNCc1ncnn1C[C@H]1Cc2ccccc21 ZINC000090981611 180078853 /nfs/dbraw/zinc/07/88/53/180078853.db2.gz BMQPAMVRRPBEDU-CQSZACIVSA-N 0 3 270.380 2.364 10 0 CEAEHN C[C@@H](NC[C@H]1Cc2ccccc21)C(=O)NC(C)(C)C ZINC000090992344 180081180 /nfs/dbraw/zinc/08/11/80/180081180.db2.gz LQIRQALUXJLDOI-DGCLKSJQSA-N 0 3 260.381 2.219 10 0 CEAEHN CC(C)(C)n1c(C[C@H]2CSCCN2)nc2cnccc21 ZINC000091128709 180100001 /nfs/dbraw/zinc/10/00/01/180100001.db2.gz PBXHLASJDCYWSN-NSHDSACASA-N 0 3 290.436 2.434 10 0 CEAEHN CC(C)(C)n1c(C[C@@H]2CSCCN2)nc2cnccc21 ZINC000091128708 180100058 /nfs/dbraw/zinc/10/00/58/180100058.db2.gz PBXHLASJDCYWSN-LLVKDONJSA-N 0 3 290.436 2.434 10 0 CEAEHN Cc1cc2nc(C[C@@H]3CSCCN3)[nH]c2cc1C ZINC000091128646 180100372 /nfs/dbraw/zinc/10/03/72/180100372.db2.gz SMIHNWMRBIAPTG-LLVKDONJSA-N 0 3 261.394 2.427 10 0 CEAEHN C(SC1CCCC1)c1noc(C[C@@H]2CSCCN2)n1 ZINC000091129187 180101264 /nfs/dbraw/zinc/10/12/64/180101264.db2.gz QSCJXSYCYQMDBH-SNVBAGLBSA-N 0 3 299.465 2.493 10 0 CEAEHN CC(C)CN(CC(F)(F)F)C(=O)C[C@@H]1CSCCN1 ZINC000091136343 180104957 /nfs/dbraw/zinc/10/49/57/180104957.db2.gz DWBUUWUHQPJZLM-SNVBAGLBSA-N 0 3 298.374 2.128 10 0 CEAEHN COCCNCc1cnn(C(C)C)c1C(F)(F)F ZINC000091337329 180136168 /nfs/dbraw/zinc/13/61/68/180136168.db2.gz FJWRTRLYFMSJAP-UHFFFAOYSA-N 0 3 265.279 2.219 10 0 CEAEHN CNCc1cnn(-c2cc(C)ccn2)c1C(F)(F)F ZINC000091338403 180136248 /nfs/dbraw/zinc/13/62/48/180136248.db2.gz YADPMOXJJBIYLK-UHFFFAOYSA-N 0 3 270.258 2.314 10 0 CEAEHN C[C@@H](CO)[C@@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000091345105 180137214 /nfs/dbraw/zinc/13/72/14/180137214.db2.gz SVBQBDQPUWMMHY-TUAOUCFPSA-N 0 3 261.369 2.241 10 0 CEAEHN COc1ncccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2N1 ZINC000091359842 180140264 /nfs/dbraw/zinc/14/02/64/180140264.db2.gz LYNMGJXUYLUDCS-AVGNSLFASA-N 0 3 289.379 2.340 10 0 CEAEHN CCc1noc(C)c1CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412042386 233322469 /nfs/dbraw/zinc/32/24/69/233322469.db2.gz KGAWQJJIQGEHJD-YNEHKIRRSA-N 0 3 264.369 2.138 10 0 CEAEHN CC(C)N1C(=O)CCC[C@@H](N)[C@@H]1c1cncn1C1CC1 ZINC000091275596 180119249 /nfs/dbraw/zinc/11/92/49/180119249.db2.gz VSSMVMGRYIVVJY-IUODEOHRSA-N 0 3 276.384 2.007 10 0 CEAEHN CN(CC1CCCC1)[C@@H](CN)c1cncn1C1CC1 ZINC000091276565 180119599 /nfs/dbraw/zinc/11/95/99/180119599.db2.gz UVQUMFFCUCDSFA-AWEZNQCLSA-N 0 3 262.401 2.340 10 0 CEAEHN CCN(C(=O)C[C@@H]1CSCCN1)c1cccc(F)c1 ZINC000091290668 180122291 /nfs/dbraw/zinc/12/22/91/180122291.db2.gz JCJMOCURUQESKU-GFCCVEGCSA-N 0 3 282.384 2.274 10 0 CEAEHN C[C@@H]1CCCCC[C@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000091291819 180122899 /nfs/dbraw/zinc/12/28/99/180122899.db2.gz MTRXUDSXNIBVES-JHJVBQTASA-N 0 3 270.442 2.167 10 0 CEAEHN C[C@@H]1CCCCC[C@@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000091291817 180123054 /nfs/dbraw/zinc/12/30/54/180123054.db2.gz MTRXUDSXNIBVES-UPJWGTAASA-N 0 3 270.442 2.167 10 0 CEAEHN Fc1ccc(-c2noc(C[C@@H]3CNCCO3)n2)c(Cl)c1 ZINC000091295101 180124565 /nfs/dbraw/zinc/12/45/65/180124565.db2.gz JRQCCHVNUJYOAC-SECBINFHSA-N 0 3 297.717 2.060 10 0 CEAEHN CN(CC1CC(O)C1)[C@@H](CN)c1ccccc1Cl ZINC000091460399 180161872 /nfs/dbraw/zinc/16/18/72/180161872.db2.gz ASFQQBVZTOQDFB-MGULZYLOSA-N 0 3 268.788 2.043 10 0 CEAEHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2N)C1 ZINC000091393046 180145794 /nfs/dbraw/zinc/14/57/94/180145794.db2.gz PQUQAVRZCSDEKI-LLVKDONJSA-N 0 3 281.787 2.088 10 0 CEAEHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(N)c2)C1 ZINC000091394649 180146347 /nfs/dbraw/zinc/14/63/47/180146347.db2.gz BIYMCJHQKREZQW-LLVKDONJSA-N 0 3 281.787 2.088 10 0 CEAEHN CN(C)[C@@H](CNCc1cnco1)c1cccs1 ZINC000091408387 180148234 /nfs/dbraw/zinc/14/82/34/180148234.db2.gz DZXNMZGKHIKDNF-NSHDSACASA-N 0 3 251.355 2.129 10 0 CEAEHN CCCNCc1cncc(-n2cc(C(F)(F)F)cn2)n1 ZINC000091422552 180151151 /nfs/dbraw/zinc/15/11/51/180151151.db2.gz PHUBNWAIZBWHLZ-UHFFFAOYSA-N 0 3 285.273 2.181 10 0 CEAEHN CC(C)NCc1cncc(-n2cnc3ccccc32)n1 ZINC000091422373 180151253 /nfs/dbraw/zinc/15/12/53/180151253.db2.gz QVBWBOPJQOBZGN-UHFFFAOYSA-N 0 3 267.336 2.314 10 0 CEAEHN CC(C)([C@H](N)c1cc(F)cc(F)c1)N1CCOCC1 ZINC000091566259 180193902 /nfs/dbraw/zinc/19/39/02/180193902.db2.gz NRHGBNYSPQENQV-CYBMUJFWSA-N 0 3 270.323 2.075 10 0 CEAEHN CN[C@H](c1ccccc1OC)C(C)(C)N1CCOCC1 ZINC000091566461 180194293 /nfs/dbraw/zinc/19/42/93/180194293.db2.gz CTAXLGNHYXOPNA-OAHLLOKOSA-N 0 3 278.396 2.067 10 0 CEAEHN CCc1cc(CC(=O)[C@@](C)(CC)N(C)C)n(CC)n1 ZINC000091568722 180194788 /nfs/dbraw/zinc/19/47/88/180194788.db2.gz UWEJPKBVTLTCKG-OAHLLOKOSA-N 0 3 265.401 2.307 10 0 CEAEHN CCc1nn(C)c(CC(=O)[C@@](C)(CC)N(C)C)c1Cl ZINC000091568926 180194940 /nfs/dbraw/zinc/19/49/40/180194940.db2.gz FVQNEHIPLHRPID-CQSZACIVSA-N 0 3 285.819 2.478 10 0 CEAEHN CC[C@@](C)([C@@H](NC)c1cc(Cl)cnc1N)N(C)C ZINC000091570342 180195849 /nfs/dbraw/zinc/19/58/49/180195849.db2.gz WYMWOINVSYWYJU-AAEUAGOBSA-N 0 3 270.808 2.308 10 0 CEAEHN CC(C)c1nn(C)c(NC[C@@H](C)N2CCCCC2)c1N ZINC000091581416 180198854 /nfs/dbraw/zinc/19/88/54/180198854.db2.gz CHSRMLGNALQKAJ-GFCCVEGCSA-N 0 3 279.432 2.412 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccsc1)N1CCOCC1 ZINC000091611618 180206286 /nfs/dbraw/zinc/20/62/86/180206286.db2.gz YYTJGBHWGKJMBE-CHWSQXEVSA-N 0 3 254.399 2.249 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cc(F)ccc1F)N1CCOCC1 ZINC000091611587 180206645 /nfs/dbraw/zinc/20/66/45/180206645.db2.gz AZLZWSMYNZIUMA-GJZGRUSLSA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1cccc(F)c1F)N1CCOCC1 ZINC000091612107 180207163 /nfs/dbraw/zinc/20/71/63/180207163.db2.gz PFDJBJGCQGDJBM-GJZGRUSLSA-N 0 3 284.350 2.466 10 0 CEAEHN CCCn1ccnc1[C@H](NC)[C@](C)(CC)N1CCOCC1 ZINC000091612659 180207530 /nfs/dbraw/zinc/20/75/30/180207530.db2.gz MWPNYWNQCQKSRQ-HOCLYGCPSA-N 0 3 294.443 2.055 10 0 CEAEHN CCN(CC)C1(C(=O)Cc2cccnc2N)CCCC1 ZINC000091638655 180212627 /nfs/dbraw/zinc/21/26/27/180212627.db2.gz TWMMSORWXIYYCP-UHFFFAOYSA-N 0 3 275.396 2.430 10 0 CEAEHN CN[C@@H](c1cncnc1)C1(N(C)C)CCC(C)CC1 ZINC000091649082 180216646 /nfs/dbraw/zinc/21/66/46/180216646.db2.gz QRTMBGZQJLEPDH-BLZCZZARSA-N 0 3 262.401 2.248 10 0 CEAEHN C[C@@H](CN1CCCC1)Nc1nc(Cl)ncc1F ZINC000091655361 180216827 /nfs/dbraw/zinc/21/68/27/180216827.db2.gz PUNHEAIWLYJERC-QMMMGPOBSA-N 0 3 258.728 2.165 10 0 CEAEHN CC(C)[C@@H](CN(C)C)Nc1nc(Cl)ncc1F ZINC000091655375 180217019 /nfs/dbraw/zinc/21/70/19/180217019.db2.gz DLENBFDGFUZCHP-SECBINFHSA-N 0 3 260.744 2.267 10 0 CEAEHN CC(C)c1nc2cc(N)ccc2n1C[C@@H]1CN(C)CCO1 ZINC000091680003 180226035 /nfs/dbraw/zinc/22/60/35/180226035.db2.gz XHMRCCYTOCTRGL-ZDUSSCGKSA-N 0 3 288.395 2.073 10 0 CEAEHN CN[C@@H](c1cc(C)c(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091717509 180232000 /nfs/dbraw/zinc/23/20/00/180232000.db2.gz IZMQZPBQTASTQP-CVEARBPZSA-N 0 3 262.397 2.203 10 0 CEAEHN CN[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CN(C)CCO1 ZINC000091717473 180232674 /nfs/dbraw/zinc/23/26/74/180232674.db2.gz PXYGTROPFTVAAS-OLZOCXBDSA-N 0 3 288.313 2.297 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1C)[C@@H]1CN(C)CCO1 ZINC000091718715 180233537 /nfs/dbraw/zinc/23/35/37/180233537.db2.gz ZBAYTFDSEJKCDT-LSDHHAIUSA-N 0 3 266.360 2.115 10 0 CEAEHN CCN[C@H](c1ccc(C)cc1C)[C@H]1CN(C)CCO1 ZINC000091718221 180233670 /nfs/dbraw/zinc/23/36/70/180233670.db2.gz WIANEBVHUXBCNG-HZPDHXFCSA-N 0 3 262.397 2.285 10 0 CEAEHN CCCN[C@@H](c1ccc(F)c(F)c1)[C@H]1CN(C)CCO1 ZINC000091719284 180234357 /nfs/dbraw/zinc/23/43/57/180234357.db2.gz RFVLIMFCPWKXDB-CABCVRRESA-N 0 3 284.350 2.336 10 0 CEAEHN CCCN[C@H](c1cc(C)ccc1OC)[C@H]1CN(C)CCO1 ZINC000091719509 180234425 /nfs/dbraw/zinc/23/44/25/180234425.db2.gz NBUNPKSOFOOPJV-IAGOWNOFSA-N 0 3 292.423 2.375 10 0 CEAEHN N[C@H](c1ccccc1Cl)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720243 180235125 /nfs/dbraw/zinc/23/51/25/180235125.db2.gz WZZISRHUJLNSSQ-DDTOSNHZSA-N 0 3 266.772 2.203 10 0 CEAEHN CN[C@H](c1ccc(F)c(C)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720958 180235413 /nfs/dbraw/zinc/23/54/13/180235413.db2.gz PVCLJSMIEKBRAV-VNQPRFMTSA-N 0 3 278.371 2.258 10 0 CEAEHN CCCN[C@H](c1cnccc1C)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722271 180240110 /nfs/dbraw/zinc/24/01/10/180240110.db2.gz FVWULVYWGZISHN-DJIMGWMZSA-N 0 3 289.423 2.294 10 0 CEAEHN CCCN[C@H](c1cncc(F)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722301 180240239 /nfs/dbraw/zinc/24/02/39/180240239.db2.gz HBIMKNOJHSPPFA-OWCLPIDISA-N 0 3 293.386 2.125 10 0 CEAEHN CN1CCO[C@H](c2ncc(CNC(C)(C)C)s2)C1 ZINC000091723171 180242393 /nfs/dbraw/zinc/24/23/93/180242393.db2.gz URRCCMPMZCOJNO-NSHDSACASA-N 0 3 269.414 2.034 10 0 CEAEHN Cc1cc(C)c(CNC[C@H]2CN(C)CCO2)cc1C ZINC000105472426 186059379 /nfs/dbraw/zinc/05/93/79/186059379.db2.gz RPDXFXFLOWVURF-INIZCTEOSA-N 0 3 262.397 2.032 10 0 CEAEHN CNCc1nc(C)ccc1OCc1cnc(C)s1 ZINC000091994523 180301380 /nfs/dbraw/zinc/30/13/80/180301380.db2.gz SMJMRMZYJVRYPM-UHFFFAOYSA-N 0 3 263.366 2.453 10 0 CEAEHN CCCNCc1nc(C)ccc1O[C@H](C)COC ZINC000091995109 180302104 /nfs/dbraw/zinc/30/21/04/180302104.db2.gz LSQUDXLMPZWIPU-GFCCVEGCSA-N 0 3 252.358 2.303 10 0 CEAEHN CCNC(=O)[C@H](C)Oc1ccc(C)nc1CNCC(C)C ZINC000091996355 180302226 /nfs/dbraw/zinc/30/22/26/180302226.db2.gz TVPYPNQGZMINDL-ZDUSSCGKSA-N 0 3 293.411 2.039 10 0 CEAEHN Cc1ccc(OCc2ncon2)c(CNC(C)(C)C)n1 ZINC000091996117 180302413 /nfs/dbraw/zinc/30/24/13/180302413.db2.gz PRAOIIXMUIWOQS-UHFFFAOYSA-N 0 3 276.340 2.240 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+][C@]2(CO)CCC[C@H](C)C2)n1 ZINC000091995320 180302455 /nfs/dbraw/zinc/30/24/55/180302455.db2.gz MDOFFPBSJLNLOH-XHDPSFHLSA-N 0 3 264.369 2.126 10 0 CEAEHN Cc1ccc(NC(=O)CN2C[C@H](C)[C@@H](C)C2)c(N)c1 ZINC000092081310 180319632 /nfs/dbraw/zinc/31/96/32/180319632.db2.gz OMLKLTLPGLMKIC-RYUDHWBXSA-N 0 3 261.369 2.104 10 0 CEAEHN CNCc1c(N2C[C@H](C)[C@@H](C)C2)nc2sccn12 ZINC000092086488 180320850 /nfs/dbraw/zinc/32/08/50/180320850.db2.gz IRHCMQCFKSYCPV-UWVGGRQHSA-N 0 3 264.398 2.207 10 0 CEAEHN CN[C@H](C)c1cccc(S(=O)(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000092091232 180322289 /nfs/dbraw/zinc/32/22/89/180322289.db2.gz CRRCNUQTJSAJCD-FRRDWIJNSA-N 0 3 296.436 2.244 10 0 CEAEHN Cc1nn(C)c(C)c1CNC[C@H]1Cc2cc(C)ccc2O1 ZINC000092331324 180364479 /nfs/dbraw/zinc/36/44/79/180364479.db2.gz PWAGWYCVPWHQJC-OAHLLOKOSA-N 0 3 285.391 2.439 10 0 CEAEHN Cc1noc(C)c1CNC1=NC[C@@H](C2CC2)S1 ZINC000092341234 180365610 /nfs/dbraw/zinc/36/56/10/180365610.db2.gz ZAJAGKTVAXYMKQ-NSHDSACASA-N 0 3 251.355 2.262 10 0 CEAEHN CCC(CC)N1C(=O)C[C@H](NC[C@H]2CC=CCC2)C1=O ZINC000106257851 186105560 /nfs/dbraw/zinc/10/55/60/186105560.db2.gz YREJLWFKIXULPC-JSGCOSHPSA-N 0 3 278.396 2.248 10 0 CEAEHN CCOC(=O)CCCN1CCC[C@H](n2ccnc2CC)C1 ZINC000105897836 186085325 /nfs/dbraw/zinc/08/53/25/186085325.db2.gz VEOOILWFKDAMCY-AWEZNQCLSA-N 0 3 293.411 2.426 10 0 CEAEHN CCCN[C@@H]1c2cc(OC)ccc2CC[C@H]1S(C)(=O)=O ZINC000092388541 180374800 /nfs/dbraw/zinc/37/48/00/180374800.db2.gz DLKWWYDANKIQAM-HUUCEWRRSA-N 0 3 297.420 2.095 10 0 CEAEHN COc1ccc2c(c1)[C@H](N[C@@H](CO)C(C)C)CCO2 ZINC000092393266 180375821 /nfs/dbraw/zinc/37/58/21/180375821.db2.gz OIBNPQDQKHITAQ-KGLIPLIRSA-N 0 3 265.353 2.125 10 0 CEAEHN CCC[C@@H](CC)N[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000106534153 186125677 /nfs/dbraw/zinc/12/56/77/186125677.db2.gz WEPXBROKKUFCKY-OCCSQVGLSA-N 0 3 274.364 2.487 10 0 CEAEHN CCOCCO[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092386393 180373426 /nfs/dbraw/zinc/37/34/26/180373426.db2.gz QCUHETCOTWIWFH-CABCVRRESA-N 0 3 265.353 2.063 10 0 CEAEHN CCOCCO[C@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092386395 180373516 /nfs/dbraw/zinc/37/35/16/180373516.db2.gz QCUHETCOTWIWFH-GJZGRUSLSA-N 0 3 265.353 2.063 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](N1CCOCC1(C)C)CC2 ZINC000092385718 180374131 /nfs/dbraw/zinc/37/41/31/180374131.db2.gz MZWCHAJDXVIVIR-HOTGVXAUSA-N 0 3 290.407 2.121 10 0 CEAEHN OC1(CN[C@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000178634461 542250944 /nfs/dbraw/zinc/25/09/44/542250944.db2.gz IOWOPRIXMIIQKP-ZDUSSCGKSA-N 0 3 297.395 2.494 10 0 CEAEHN CNC(=O)[C@H]1CCCN1C[C@@H]1CSc2ccccc21 ZINC000092661866 180425245 /nfs/dbraw/zinc/42/52/45/180425245.db2.gz PANCRYUDURHYSP-DGCLKSJQSA-N 0 3 276.405 2.086 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CCCOC2)c1C ZINC000109546069 186261803 /nfs/dbraw/zinc/26/18/03/186261803.db2.gz SBDIPYXUQOYJHJ-GXFFZTMASA-N 0 3 251.374 2.349 10 0 CEAEHN C[C@H](NCCc1nncn1C)c1nc2ccccc2s1 ZINC000109421141 186251664 /nfs/dbraw/zinc/25/16/64/186251664.db2.gz IIZRCOQPQVCDTQ-JTQLQIEISA-N 0 3 287.392 2.318 10 0 CEAEHN CNCc1oc2ccccc2c1CO[C@H]1CCOC1 ZINC000110532761 186301633 /nfs/dbraw/zinc/30/16/33/186301633.db2.gz KENKVYQJGIQIOP-NSHDSACASA-N 0 3 261.321 2.458 10 0 CEAEHN C[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2CN)CC1 ZINC000110809001 186326313 /nfs/dbraw/zinc/32/63/13/186326313.db2.gz VLVPIAOMTOCDNJ-CYBMUJFWSA-N 0 3 296.436 2.097 10 0 CEAEHN CCN([C@H]1CCCNC1)S(=O)(=O)c1cc(C)cc(C)c1 ZINC000110941403 186334579 /nfs/dbraw/zinc/33/45/79/186334579.db2.gz RRONGQMDJMQPHE-AWEZNQCLSA-N 0 3 296.436 2.066 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccc(C)s1)N1CCNC(=O)C1(C)C ZINC000110653411 186311346 /nfs/dbraw/zinc/31/13/46/186311346.db2.gz NGYZCYNASDARJD-AAEUAGOBSA-N 0 3 295.452 2.045 10 0 CEAEHN CCN1CCN([C@@H](CN)c2ccc(Cl)s2)C[C@@H]1C ZINC000110702652 186313972 /nfs/dbraw/zinc/31/39/72/186313972.db2.gz UEPDFQZJLDYOKJ-QWRGUYRKSA-N 0 3 287.860 2.427 10 0 CEAEHN C[C@H]1C[C@@H]1c1ccc([C@@H](CN)N2CCN(C)C(C)(C)C2)o1 ZINC000110711875 186315414 /nfs/dbraw/zinc/31/54/14/186315414.db2.gz VEFYOWMIGCXNSZ-MELADBBJSA-N 0 3 291.439 2.429 10 0 CEAEHN CC[C@H]1CN(Cc2ccnc(Cl)c2)CCN1C ZINC000110717627 186316632 /nfs/dbraw/zinc/31/66/32/186316632.db2.gz ARCVLILEIKJADT-LBPRGKRZSA-N 0 3 253.777 2.261 10 0 CEAEHN CCOC(CCN1C[C@H](C)OC[C@@H]1CC)OCC ZINC000110785174 186324803 /nfs/dbraw/zinc/32/48/03/186324803.db2.gz FWWCMPFKHQBLKW-STQMWFEESA-N 0 3 259.390 2.275 10 0 CEAEHN CCCOc1cc(NCCN(C)CCOC)ccc1N ZINC000111055803 186349671 /nfs/dbraw/zinc/34/96/71/186349671.db2.gz MMPNUTSRFPJZBN-UHFFFAOYSA-N 0 3 281.400 2.048 10 0 CEAEHN CCCOCCOC[C@@H](N)c1cc(C)ccc1OC ZINC000111108549 186353726 /nfs/dbraw/zinc/35/37/26/186353726.db2.gz ZDZAHLMIPNGEOH-CQSZACIVSA-N 0 3 267.369 2.447 10 0 CEAEHN CCNc1ccc(CN(CC)CCOCC)cn1 ZINC000111122335 186354259 /nfs/dbraw/zinc/35/42/59/186354259.db2.gz SFIROYGLPBVBKW-UHFFFAOYSA-N 0 3 251.374 2.372 10 0 CEAEHN CCOCCN(CC)C[C@@H](N)c1ccc(OC)cc1 ZINC000111118555 186354721 /nfs/dbraw/zinc/35/47/21/186354721.db2.gz KLUBEXYPHGMFCD-OAHLLOKOSA-N 0 3 266.385 2.053 10 0 CEAEHN Cc1nc(N(C)C[C@@H]2CCCOC2)sc1[C@@H](C)N ZINC000111177013 186364890 /nfs/dbraw/zinc/36/48/90/186364890.db2.gz LJBJCROVKCWJIS-KOLCDFICSA-N 0 3 269.414 2.334 10 0 CEAEHN C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(CN)cn2)C1 ZINC000111281757 186387961 /nfs/dbraw/zinc/38/79/61/186387961.db2.gz DUJCWYDPAZAKRN-WCQYABFASA-N 0 3 261.369 2.191 10 0 CEAEHN Cc1nc(CN2C[C@@H]3CCCCN3C[C@H]2C)[nH]c1C ZINC000628180235 350993702 /nfs/dbraw/zinc/99/37/02/350993702.db2.gz HHADIHGZJMYIJZ-RISCZKNCSA-N 0 3 262.401 2.085 10 0 CEAEHN CN1CC[C@@H](N)[C@@H]1c1cc(Br)cs1 ZINC000069798779 363001273 /nfs/dbraw/zinc/00/12/73/363001273.db2.gz LXRMFIRUVJRACC-VXNVDRBHSA-N 0 3 261.188 2.215 10 0 CEAEHN CCC[C@H](C(=O)NCC1(CCOCC)CC1)N(C)C ZINC000120289128 186889983 /nfs/dbraw/zinc/88/99/83/186889983.db2.gz ZICAVTWWWYYSPK-CYBMUJFWSA-N 0 3 270.417 2.040 10 0 CEAEHN CCOC(CN1CCC[C@@H](n2cc(C)cn2)C1)OCC ZINC000124209976 187126873 /nfs/dbraw/zinc/12/68/73/187126873.db2.gz SBVCCWVRELZYLD-CQSZACIVSA-N 0 3 281.400 2.228 10 0 CEAEHN CC(=O)Oc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000123215320 187078128 /nfs/dbraw/zinc/07/81/28/187078128.db2.gz CMWQXPWUMSNTSU-OAHLLOKOSA-N 0 3 299.374 2.335 10 0 CEAEHN N[C@@H](CO)c1cc(Br)cc(C(F)(F)F)c1 ZINC000072199643 363121225 /nfs/dbraw/zinc/12/12/25/363121225.db2.gz FCMGTYDCYSTMGU-QMMMGPOBSA-N 0 3 284.075 2.460 10 0 CEAEHN COC[C@H](C)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000133104720 187666393 /nfs/dbraw/zinc/66/63/93/187666393.db2.gz NUMXBAJKQKEBIJ-AWEZNQCLSA-N 0 3 292.423 2.296 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000252739817 539897267 /nfs/dbraw/zinc/89/72/67/539897267.db2.gz HXCVGKHFSIMWIW-IAQYHMDHSA-N 0 3 284.350 2.336 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000155362698 188201170 /nfs/dbraw/zinc/20/11/70/188201170.db2.gz FJSYZPQLHZBUNA-BBRMVZONSA-N 0 3 289.423 2.211 10 0 CEAEHN CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(C)ccc1[O-] ZINC000156082512 188241664 /nfs/dbraw/zinc/24/16/64/188241664.db2.gz RIANYGDOUTVXFL-ZDUSSCGKSA-N 0 3 263.385 2.012 10 0 CEAEHN CC[N@H+]1CCC[C@H]1CN(C)Cc1nc(C)ccc1[O-] ZINC000156082512 188241665 /nfs/dbraw/zinc/24/16/65/188241665.db2.gz RIANYGDOUTVXFL-ZDUSSCGKSA-N 0 3 263.385 2.012 10 0 CEAEHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000073503776 363224978 /nfs/dbraw/zinc/22/49/78/363224978.db2.gz SLDJRSVPFDUVFG-QWHCGFSZSA-N 0 3 279.384 2.433 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC000132081278 366116445 /nfs/dbraw/zinc/11/64/45/366116445.db2.gz ZGDJIOGWNQBYKX-SMDDNHRTSA-N 0 3 292.427 2.073 10 0 CEAEHN CCCC(=O)N[C@@H]1CCCN(CCCCC(=O)OCC)C1 ZINC000132733649 366168036 /nfs/dbraw/zinc/16/80/36/366168036.db2.gz DGGBYIALWHVHSF-CQSZACIVSA-N 0 3 298.427 2.101 10 0 CEAEHN CC[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)[C@@H](CC)CO1 ZINC000403935023 540118046 /nfs/dbraw/zinc/11/80/46/540118046.db2.gz LTOHGVIMZWXQLI-CBBWQLFWSA-N 0 3 255.402 2.427 10 0 CEAEHN Cc1ccc(C2=C[C@H](N)CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000675077840 540119061 /nfs/dbraw/zinc/11/90/61/540119061.db2.gz JDSGLBARDJPWSE-AWEZNQCLSA-N 0 3 289.379 2.351 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1CCC(=O)OC(C)(C)C ZINC000134760536 366358692 /nfs/dbraw/zinc/35/86/92/366358692.db2.gz OVAZRVCOITZEIH-UONOGXRCSA-N 0 3 282.428 2.277 10 0 CEAEHN Cc1ccc(OCCN(C)C(=O)[C@]2(C)CCCCN2)cc1 ZINC000136149226 366498674 /nfs/dbraw/zinc/49/86/74/366498674.db2.gz HQUKXFZOXHVZCI-KRWDZBQOSA-N 0 3 290.407 2.364 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@@H](N2CCC2)CC1 ZINC000685953601 540648798 /nfs/dbraw/zinc/64/87/98/540648798.db2.gz XDDOEKCAARJOSH-GFCCVEGCSA-N 0 3 254.374 2.482 10 0 CEAEHN C[C@H](NC[C@H](O)CN1CCCCC1)c1ccc(F)cc1F ZINC000151271068 366634522 /nfs/dbraw/zinc/63/45/22/366634522.db2.gz QHZYRIFLHWIVDE-JSGCOSHPSA-N 0 3 298.377 2.462 10 0 CEAEHN Cc1ccc([C@@H](C)NC[C@@H](O)CN2CCCCC2)o1 ZINC000151338468 366639878 /nfs/dbraw/zinc/63/98/78/366639878.db2.gz ASMPRWBLUXYQQQ-ZIAGYGMSSA-N 0 3 266.385 2.085 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000177150269 189032469 /nfs/dbraw/zinc/03/24/69/189032469.db2.gz ACFOJRTUJFBQIR-ZDUSSCGKSA-N 0 3 299.378 2.097 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000177423048 189050224 /nfs/dbraw/zinc/05/02/24/189050224.db2.gz DFXRPLDPLVXNAP-MRXNPFEDSA-N 0 3 289.423 2.309 10 0 CEAEHN CCc1ccccc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000178314634 189105575 /nfs/dbraw/zinc/10/55/75/189105575.db2.gz UTDZNCVHVKYROW-AWEZNQCLSA-N 0 3 258.365 2.169 10 0 CEAEHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000178691371 189137882 /nfs/dbraw/zinc/13/78/82/189137882.db2.gz KBGUAMMVVFBVCP-MCIONIFRSA-N 0 3 290.432 2.467 10 0 CEAEHN C[C@@H](N[C@@H]1CCNC1=O)c1ccc2ccccc2c1 ZINC000179059529 189165638 /nfs/dbraw/zinc/16/56/38/189165638.db2.gz CPRMYPIVSJDDON-IAQYHMDHSA-N 0 3 254.333 2.379 10 0 CEAEHN Fc1cccc2c1SCC[C@H]2NCCn1cncn1 ZINC000268840948 540938635 /nfs/dbraw/zinc/93/86/35/540938635.db2.gz QUVNCHDWOMBNBI-GFCCVEGCSA-N 0 3 278.356 2.244 10 0 CEAEHN C[C@H](NCC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000180271579 189248052 /nfs/dbraw/zinc/24/80/52/189248052.db2.gz QDMAHKFJIPNBET-TUAOUCFPSA-N 0 3 282.409 2.035 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000237003568 370675070 /nfs/dbraw/zinc/67/50/70/370675070.db2.gz SETZTOJYQOZNAO-OLZOCXBDSA-N 0 3 250.317 2.057 10 0 CEAEHN COc1ccc([C@H](N)Cn2nc(C)cc2C)cc1OC ZINC000011849973 361366345 /nfs/dbraw/zinc/36/63/45/361366345.db2.gz AMNMBAHSOIWDFO-CYBMUJFWSA-N 0 3 275.352 2.217 10 0 CEAEHN C[C@@H](O)CN1CCN(CCCc2cccc(F)c2)C[C@H]1C ZINC000182750858 189333608 /nfs/dbraw/zinc/33/36/08/189333608.db2.gz RGILBWDXZCDZKE-HUUCEWRRSA-N 0 3 294.414 2.145 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000182858381 189337152 /nfs/dbraw/zinc/33/71/52/189337152.db2.gz AIBDZNBGWWQEPK-ZDUSSCGKSA-N 0 3 266.772 2.352 10 0 CEAEHN Cc1nnc(NC2CCN([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000301691990 201141671 /nfs/dbraw/zinc/14/16/71/201141671.db2.gz KYAYANIXKUYTNF-STQMWFEESA-N 0 3 296.440 2.026 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(C)cn1 ZINC000184252516 189380579 /nfs/dbraw/zinc/38/05/79/189380579.db2.gz SIZMWIVNKXWNCN-ZDUSSCGKSA-N 0 3 276.384 2.338 10 0 CEAEHN COc1cccc(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000027932494 361663430 /nfs/dbraw/zinc/66/34/30/361663430.db2.gz VWJNJHBWNSBJHS-ZDUSSCGKSA-N 0 3 275.352 2.007 10 0 CEAEHN C[C@@H]1CO[C@@H](c2ccc(Br)cc2)CN1 ZINC000032108957 361727428 /nfs/dbraw/zinc/72/74/28/361727428.db2.gz BTSSUSWSXIZMSK-LDYMZIIASA-N 0 3 256.143 2.499 10 0 CEAEHN C[C@@H]1CC(CCN(C)CC(=O)N(C)C)C[C@@H](C)C1 ZINC000089101232 363928258 /nfs/dbraw/zinc/92/82/58/363928258.db2.gz QHDXSUOSYJTKQW-STQMWFEESA-N 0 3 254.418 2.469 10 0 CEAEHN CCc1onc(C)c1NC(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000093093936 364141782 /nfs/dbraw/zinc/14/17/82/364141782.db2.gz FYJOHMOXGNONRN-JQWIXIFHSA-N 0 3 292.383 2.246 10 0 CEAEHN Cc1ncc(CN(C)CC(C)(C)O)n1-c1ccccc1 ZINC000093414570 364177224 /nfs/dbraw/zinc/17/72/24/364177224.db2.gz RDICYMFQANWSKI-UHFFFAOYSA-N 0 3 273.380 2.383 10 0 CEAEHN CCn1c(C)cc(C(=O)CN2CCN3CCC[C@@H]3C2)c1C ZINC000094462605 364275896 /nfs/dbraw/zinc/27/58/96/364275896.db2.gz HHYQUUNDLBUWKH-OAHLLOKOSA-N 0 3 289.423 2.088 10 0 CEAEHN C[C@@H]1CNCCN1c1nc2ccccc2nc1NC1CC1 ZINC000095069587 364329636 /nfs/dbraw/zinc/32/96/36/364329636.db2.gz RAGBGZCCYDMZOX-LLVKDONJSA-N 0 3 283.379 2.002 10 0 CEAEHN COC[C@@H](C)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000097038825 364429053 /nfs/dbraw/zinc/42/90/53/364429053.db2.gz BGVAYGNXKVMZSQ-GFCCVEGCSA-N 0 3 279.384 2.001 10 0 CEAEHN CC(=O)CCN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000103474060 364658458 /nfs/dbraw/zinc/65/84/58/364658458.db2.gz CGAVAABRSIEXGL-CQSZACIVSA-N 0 3 261.369 2.103 10 0 CEAEHN CC[C@H](C)CN(C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000111836882 364763921 /nfs/dbraw/zinc/76/39/21/364763921.db2.gz YVYRILBVVCLCSV-STQMWFEESA-N 0 3 255.406 2.158 10 0 CEAEHN CCc1ccc(CN2CCO[C@@H](CN(C)C)C2)cc1 ZINC000117340117 365103542 /nfs/dbraw/zinc/10/35/42/365103542.db2.gz QPNNUKBRRKUBEK-INIZCTEOSA-N 0 3 262.397 2.011 10 0 CEAEHN COCCN1CCN(CCC2CCCC2)C[C@H]1C ZINC000119158839 365225364 /nfs/dbraw/zinc/22/53/64/365225364.db2.gz AISFLOJMDIBDIG-CQSZACIVSA-N 0 3 254.418 2.219 10 0 CEAEHN CC[C@@H](O)CN1CCN(CCCc2ccccc2)CC1 ZINC000118858815 365187048 /nfs/dbraw/zinc/18/70/48/365187048.db2.gz FCQKTFOVQFXXPW-QGZVFWFLSA-N 0 3 276.424 2.008 10 0 CEAEHN COCOc1ccc(OC)cc1CN[C@H]1C[C@@H]1C ZINC000119223921 365238836 /nfs/dbraw/zinc/23/88/36/365238836.db2.gz YDVXIGWCYMCKLA-GWCFXTLKSA-N 0 3 251.326 2.176 10 0 CEAEHN CC[C@H](C)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000120438639 365424509 /nfs/dbraw/zinc/42/45/09/365424509.db2.gz AZPYGNZOUOPRTB-RDJZCZTQSA-N 0 3 276.424 2.384 10 0 CEAEHN CC[C@H](C)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000120499676 365433958 /nfs/dbraw/zinc/43/39/58/365433958.db2.gz CFOMRZRUPUEBFN-NWDGAFQWSA-N 0 3 266.389 2.103 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC(C)(C)CC ZINC000245458753 370823632 /nfs/dbraw/zinc/82/36/32/370823632.db2.gz DARVRGGEUSTTSZ-ZIAGYGMSSA-N 0 3 283.460 2.096 10 0 CEAEHN CC(=O)c1ccccc1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000245464818 370823764 /nfs/dbraw/zinc/82/37/64/370823764.db2.gz PSNBAGHQIJAYRT-OCCSQVGLSA-N 0 3 286.375 2.198 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H]1C[C@@H](OCC)C12CCC2)N(C)C ZINC000245508565 370830244 /nfs/dbraw/zinc/83/02/44/370830244.db2.gz JHVSNOUQLCEUJT-MGPQQGTHSA-N 0 3 282.428 2.181 10 0 CEAEHN CC(C)c1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)no1 ZINC000245679051 370856975 /nfs/dbraw/zinc/85/69/75/370856975.db2.gz LXFXPIYXMFAFFA-WCQYABFASA-N 0 3 279.384 2.257 10 0 CEAEHN O[C@H]1CCCC[C@H]1CNCc1cncc(Br)c1 ZINC000166902810 367332081 /nfs/dbraw/zinc/33/20/81/367332081.db2.gz NVBXDFYVAFJNNX-AAEUAGOBSA-N 0 3 299.212 2.485 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NCC2(c3ccccc3)CC2)C1 ZINC000170827676 367426787 /nfs/dbraw/zinc/42/67/87/367426787.db2.gz ZIUAOWMGUXQGSB-OAHLLOKOSA-N 0 3 287.407 2.064 10 0 CEAEHN CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169369171 367368562 /nfs/dbraw/zinc/36/85/62/367368562.db2.gz DRLCTBKVUWSSIT-UAGQMJEPSA-N 0 3 271.360 2.259 10 0 CEAEHN CCc1ccc(CCC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170860177 367431935 /nfs/dbraw/zinc/43/19/35/367431935.db2.gz IHFWOCBPLUAGHM-MRXNPFEDSA-N 0 3 274.408 2.344 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000170863326 367433991 /nfs/dbraw/zinc/43/39/91/367433991.db2.gz XLOPKOSAZVNRLJ-SNVBAGLBSA-N 0 3 284.762 2.184 10 0 CEAEHN C[C@@H](CC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000170862206 367434180 /nfs/dbraw/zinc/43/41/80/367434180.db2.gz ZBRLLPMAWRJHIQ-DZGCQCFKSA-N 0 3 260.381 2.343 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)c(F)c1 ZINC000170861254 367434708 /nfs/dbraw/zinc/43/47/08/367434708.db2.gz GXOVXZPZPUMBNA-PWSUYJOCSA-N 0 3 297.349 2.371 10 0 CEAEHN COc1ccc(CCCC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170864262 367434961 /nfs/dbraw/zinc/43/49/61/367434961.db2.gz DOBFQDSYAXGUPI-HNNXBMFYSA-N 0 3 290.407 2.180 10 0 CEAEHN C[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170867228 367436122 /nfs/dbraw/zinc/43/61/22/367436122.db2.gz BZQFPBIRGRBEHE-NWDGAFQWSA-N 0 3 296.798 2.270 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000170868045 367436153 /nfs/dbraw/zinc/43/61/53/367436153.db2.gz NWHWPBORHHLXOD-OAHLLOKOSA-N 0 3 290.382 2.410 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000170868009 367436668 /nfs/dbraw/zinc/43/66/68/367436668.db2.gz LKPPHEFZUNDKEG-JTQLQIEISA-N 0 3 275.327 2.083 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000170865906 367436799 /nfs/dbraw/zinc/43/67/99/367436799.db2.gz CYPHZEJZWXSHOO-ZDUSSCGKSA-N 0 3 285.347 2.118 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Cc2csc(C(C)(C)C)n2)C1 ZINC000170868342 367436835 /nfs/dbraw/zinc/43/68/35/367436835.db2.gz PZGORAUPIHKEFO-GFCCVEGCSA-N 0 3 295.452 2.146 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2cccc3[nH]ccc32)C[C@@H]1C ZINC000245713836 370862043 /nfs/dbraw/zinc/86/20/43/370862043.db2.gz GLZRXZBNNWYJPU-KBPBESRZSA-N 0 3 287.407 2.055 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC000171303074 367519148 /nfs/dbraw/zinc/51/91/48/367519148.db2.gz YXZOZHWIQFYIJE-AWEZNQCLSA-N 0 3 278.371 2.266 10 0 CEAEHN O=C(c1cc2c(s1)CCC2)N1CCN2CCC[C@H]2C1 ZINC000171585157 367573258 /nfs/dbraw/zinc/57/32/58/367573258.db2.gz ZWKYXWHSMQGSNF-LBPRGKRZSA-N 0 3 276.405 2.157 10 0 CEAEHN O=C(c1cc2cc(F)ccc2o1)N1CCN2CCC[C@H]2C1 ZINC000172120106 367677671 /nfs/dbraw/zinc/67/76/71/367677671.db2.gz YUQKZNRQIGVKOL-ZDUSSCGKSA-N 0 3 288.322 2.492 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)c(C)c2)CCN1C[C@H](C)O ZINC000245743737 370869123 /nfs/dbraw/zinc/86/91/23/370869123.db2.gz MKIMFKJSTJGCOV-GOEBONIOSA-N 0 3 294.414 2.411 10 0 CEAEHN C[C@@H](CNC(=O)N1CCS[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000245809647 370874914 /nfs/dbraw/zinc/87/49/14/370874914.db2.gz GBNMLDVRNVBNQO-RDBSUJKOSA-N 0 3 299.484 2.254 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000174081448 367979946 /nfs/dbraw/zinc/97/99/46/367979946.db2.gz GQXHBKSDMIEYTG-GOSISDBHSA-N 0 3 288.435 2.064 10 0 CEAEHN COc1cccc(CN2CCC[C@H]2Cn2ccnc2C)n1 ZINC000174979854 368086196 /nfs/dbraw/zinc/08/61/96/368086196.db2.gz AONQVBOOEKNMLT-HNNXBMFYSA-N 0 3 286.379 2.260 10 0 CEAEHN COc1cccc(CN2CCC[C@@H]2Cn2ccnc2C)n1 ZINC000174979869 368086721 /nfs/dbraw/zinc/08/67/21/368086721.db2.gz AONQVBOOEKNMLT-OAHLLOKOSA-N 0 3 286.379 2.260 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccn1 ZINC000174994856 368087160 /nfs/dbraw/zinc/08/71/60/368087160.db2.gz GFAGJUKPAOQGNK-CHWSQXEVSA-N 0 3 293.798 2.434 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C(C)C)n[nH]1 ZINC000175018558 368090613 /nfs/dbraw/zinc/09/06/13/368090613.db2.gz BQFFVXTZZATDFD-CHWSQXEVSA-N 0 3 290.411 2.232 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H](OC)C(C)(C)C ZINC000177562763 368272576 /nfs/dbraw/zinc/27/25/76/368272576.db2.gz XALUSNGRLOUBNY-KGLIPLIRSA-N 0 3 299.459 2.173 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000177549134 368273538 /nfs/dbraw/zinc/27/35/38/368273538.db2.gz MWCQFRZHJLNVNH-UONOGXRCSA-N 0 3 299.459 2.316 10 0 CEAEHN C[C@H]([NH2+]CCCOC(=O)N=C(N)[O-])c1cccc(Cl)c1 ZINC000181420523 368452476 /nfs/dbraw/zinc/45/24/76/368452476.db2.gz MBPKDFQMAINMLO-VIFPVBQESA-N 0 3 299.758 2.186 10 0 CEAEHN C[C@H]([NH2+]CCCOC([O-])=NC(N)=O)c1cccc(Cl)c1 ZINC000181420523 368452485 /nfs/dbraw/zinc/45/24/85/368452485.db2.gz MBPKDFQMAINMLO-VIFPVBQESA-N 0 3 299.758 2.186 10 0 CEAEHN CC[C@H](NC[C@@H]1CN(CC)CCO1)c1ccc(OC)cc1 ZINC000163847503 541679408 /nfs/dbraw/zinc/67/94/08/541679408.db2.gz AFBJAVKBWOLDBF-SJORKVTESA-N 0 3 292.423 2.457 10 0 CEAEHN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000182282366 368546482 /nfs/dbraw/zinc/54/64/82/368546482.db2.gz ZZLRGMRISUKUFB-SMDDNHRTSA-N 0 3 294.443 2.223 10 0 CEAEHN CCOc1ccccc1[C@H](C)NC[C@@H]1CN(CC)CCO1 ZINC000163902721 541698567 /nfs/dbraw/zinc/69/85/67/541698567.db2.gz PUPBZGXJFQTVGN-LSDHHAIUSA-N 0 3 292.423 2.457 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1cncc(C)c1)CC2 ZINC000184401344 368691890 /nfs/dbraw/zinc/69/18/90/368691890.db2.gz JBXUHXLCQLAUBK-GXTWGEPZSA-N 0 3 285.395 2.210 10 0 CEAEHN COc1ccsc1[C@@H](C)NC[C@@H](C)N1CCOCC1 ZINC000186096488 368919363 /nfs/dbraw/zinc/91/93/63/368919363.db2.gz CLUKGNZOISILAQ-VXGBXAGGSA-N 0 3 284.425 2.128 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2ccoc2)C12CCOCC2 ZINC000186267522 368948145 /nfs/dbraw/zinc/94/81/45/368948145.db2.gz RQVZROZUXNKELL-KBPBESRZSA-N 0 3 265.353 2.343 10 0 CEAEHN CCCc1cccc(CNC[C@@H]2CN(C)CCO2)c1 ZINC000187210583 369121765 /nfs/dbraw/zinc/12/17/65/369121765.db2.gz PZHXPGVUJMXACO-MRXNPFEDSA-N 0 3 262.397 2.059 10 0 CEAEHN CCCc1cccc(CNC[C@H]2CN(C)CCO2)c1 ZINC000187210603 369122324 /nfs/dbraw/zinc/12/23/24/369122324.db2.gz PZHXPGVUJMXACO-INIZCTEOSA-N 0 3 262.397 2.059 10 0 CEAEHN CSC1(C(=O)NC[C@H]2CCCN2CC(C)C)CC1 ZINC000188420625 369353390 /nfs/dbraw/zinc/35/33/90/369353390.db2.gz SQHOCCJMNHUWGC-GFCCVEGCSA-N 0 3 270.442 2.119 10 0 CEAEHN CC1(C)CCC[C@H]1NC(=O)N1CCN2CCC[C@H]2C1 ZINC000246477983 370967025 /nfs/dbraw/zinc/96/70/25/370967025.db2.gz HJWPOUDKFRXCAN-QWHCGFSZSA-N 0 3 265.401 2.055 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(Cc2cncc(C)c2)C1 ZINC000189833261 369572600 /nfs/dbraw/zinc/57/26/00/369572600.db2.gz DPCMUFUTXNLIRH-OAHLLOKOSA-N 0 3 285.395 2.381 10 0 CEAEHN Cc1cccc(NC[C@@H]2CCN(Cc3ccnc(N)c3)C2)n1 ZINC000191504339 369720166 /nfs/dbraw/zinc/72/01/66/369720166.db2.gz CQQGBOVNWVOHFF-HNNXBMFYSA-N 0 3 297.406 2.301 10 0 CEAEHN Clc1ccsc1CN[C@@H]1CCc2ncnn2C1 ZINC000193091907 369891676 /nfs/dbraw/zinc/89/16/76/369891676.db2.gz FHPGDYVUNFLTJC-MRVPVSSYSA-N 0 3 268.773 2.098 10 0 CEAEHN Cc1ccc(CN2CCO[C@H](CN(C)C)C2)cc1Cl ZINC000193581399 369958366 /nfs/dbraw/zinc/95/83/66/369958366.db2.gz ASONIXYGTFMHFG-CQSZACIVSA-N 0 3 282.815 2.411 10 0 CEAEHN OCC(CO)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000196151681 370145596 /nfs/dbraw/zinc/14/55/96/370145596.db2.gz AURFMXOHIVVRBI-OAHLLOKOSA-N 0 3 283.799 2.468 10 0 CEAEHN O[C@H](Cc1ccccc1)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000246831435 371017233 /nfs/dbraw/zinc/01/72/33/371017233.db2.gz SNQMGVCZJQNXQZ-SJLPKXTDSA-N 0 3 298.386 2.138 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(COC)o1 ZINC000246836247 371018810 /nfs/dbraw/zinc/01/88/10/371018810.db2.gz BFCDQTUYXOVZGP-OLZOCXBDSA-N 0 3 292.379 2.125 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(C[C@@H](O)Cc3ccccc3)C2)c1 ZINC000247041503 371052444 /nfs/dbraw/zinc/05/24/44/371052444.db2.gz DTFUSUFCVLSSOU-MSOLQXFVSA-N 0 3 299.418 2.432 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)cc2F)CCN1C[C@H](C)O ZINC000247090519 371062994 /nfs/dbraw/zinc/06/29/94/371062994.db2.gz YJSOALOAWHJGKU-SWLSCSKDSA-N 0 3 298.377 2.242 10 0 CEAEHN COCCN1CCN(C[C@H](C)c2ccccc2)C[C@H]1C ZINC000247205259 371076810 /nfs/dbraw/zinc/07/68/10/371076810.db2.gz UGSCQIMDCGIJBB-JKSUJKDBSA-N 0 3 276.424 2.443 10 0 CEAEHN COc1cccc([C@@H](C)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000247261060 371085273 /nfs/dbraw/zinc/08/52/73/371085273.db2.gz VIGWIHMWYUWGIS-CJNGLKHVSA-N 0 3 278.396 2.019 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000247772603 371141261 /nfs/dbraw/zinc/14/12/61/371141261.db2.gz PQGRZUMKLXFRGY-IHRRRGAJSA-N 0 3 280.387 2.274 10 0 CEAEHN CCOC(=O)[C@H](c1ccccc1)N1CCN2CCC[C@H]2C1 ZINC000247405852 371103929 /nfs/dbraw/zinc/10/39/29/371103929.db2.gz BTUQOKMLIOGKCA-HOTGVXAUSA-N 0 3 288.391 2.071 10 0 CEAEHN CC(C)CCc1noc(CN2C[C@@H]3CCCN3C[C@@H]2C)n1 ZINC000247482061 371114221 /nfs/dbraw/zinc/11/42/21/371114221.db2.gz SSUWNNHOGYNGEI-KBPBESRZSA-N 0 3 292.427 2.327 10 0 CEAEHN COc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000247519320 371119884 /nfs/dbraw/zinc/11/98/84/371119884.db2.gz WPDOYAMNSITUJW-JSGCOSHPSA-N 0 3 274.364 2.004 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1Cc1cncs1 ZINC000248416529 371190293 /nfs/dbraw/zinc/19/02/93/371190293.db2.gz PSSCEFZBHGZHEK-NEPJUHHUSA-N 0 3 251.399 2.202 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([O-])c1 ZINC000248420731 371191831 /nfs/dbraw/zinc/19/18/31/371191831.db2.gz XJRMXAPXTQUDPO-KBPBESRZSA-N 0 3 274.364 2.091 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc([O-])c1 ZINC000248420731 371191834 /nfs/dbraw/zinc/19/18/34/371191834.db2.gz XJRMXAPXTQUDPO-KBPBESRZSA-N 0 3 274.364 2.091 10 0 CEAEHN Fc1ccc(OCCN2CCN3CCCC[C@H]3C2)cc1 ZINC000248325926 371173805 /nfs/dbraw/zinc/17/38/05/371173805.db2.gz BPVDXMZQXNXNGF-HNNXBMFYSA-N 0 3 278.371 2.375 10 0 CEAEHN CO[C@@H]1CCCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000248551999 371210633 /nfs/dbraw/zinc/21/06/33/371210633.db2.gz IWQBNYLPFBJNKI-MRXNPFEDSA-N 0 3 280.387 2.368 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cnn(C(C)C)c1 ZINC000248965041 371275319 /nfs/dbraw/zinc/27/53/19/371275319.db2.gz HAXOMUGFSMPNML-GJZGRUSLSA-N 0 3 290.411 2.163 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@H]2CCCc3occc32)C1 ZINC000249766691 371360937 /nfs/dbraw/zinc/36/09/37/371360937.db2.gz PENGKYVEEHZFTF-OCCSQVGLSA-N 0 3 291.395 2.441 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000249860539 371367253 /nfs/dbraw/zinc/36/72/53/371367253.db2.gz FWRTVKGLTGLPDS-UONOGXRCSA-N 0 3 278.400 2.047 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H](C)CC[S@](C)=O)c1C ZINC000252732384 371474523 /nfs/dbraw/zinc/47/45/23/371474523.db2.gz UWONXLYTOYAMIZ-ADWYPQAOSA-N 0 3 285.457 2.328 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000253354235 371508364 /nfs/dbraw/zinc/50/83/64/371508364.db2.gz JCSQNDOPBWWWLN-NUEKZKHPSA-N 0 3 290.407 2.221 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C\c1cncc(F)c1 ZINC000254987176 371546438 /nfs/dbraw/zinc/54/64/38/371546438.db2.gz ZEJPLMMXGGKFGM-IYKSTZQJSA-N 0 3 293.386 2.326 10 0 CEAEHN CC(C)(C)CCCCNC(=O)[C@H](N)C1CCOCC1 ZINC000261745446 371718295 /nfs/dbraw/zinc/71/82/95/371718295.db2.gz KVZRUCZQMBWXMU-CYBMUJFWSA-N 0 3 270.417 2.073 10 0 CEAEHN NC1(C(=O)N2CCCC3(CCCCC3)C2)CCOCC1 ZINC000261936211 371776619 /nfs/dbraw/zinc/77/66/19/371776619.db2.gz WTOHPDTUMZNKHQ-UHFFFAOYSA-N 0 3 280.412 2.067 10 0 CEAEHN CCC[C@@](C)(N)C(=O)Nc1ccnc2ccncc21 ZINC000262674268 371895322 /nfs/dbraw/zinc/89/53/22/371895322.db2.gz QTDCDGJBGONITI-CQSZACIVSA-N 0 3 258.325 2.086 10 0 CEAEHN C[C@@H]([NH3+])CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000262763407 371906290 /nfs/dbraw/zinc/90/62/90/371906290.db2.gz KHLGROLKAWWLJU-SSDOTTSWSA-N 0 3 297.207 2.009 10 0 CEAEHN CCc1ncnc(N[C@H]2CN(C(C)C)C[C@H]2C)c1F ZINC000271083717 373110481 /nfs/dbraw/zinc/11/04/81/373110481.db2.gz IJWRXIMTCPHWRU-PWSUYJOCSA-N 0 3 266.364 2.319 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(Cl)c(OC)c2)CCCN1 ZINC000643773951 373265135 /nfs/dbraw/zinc/26/51/35/373265135.db2.gz BPAPGFUFJQQSOV-AWEZNQCLSA-N 0 3 298.770 2.056 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)[C@@H]2NCC2(C)C)c(C)c1 ZINC000644017839 373343137 /nfs/dbraw/zinc/34/31/37/373343137.db2.gz XTOKRNRJGJCGJQ-JSGCOSHPSA-N 0 3 260.381 2.479 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000644089456 373401290 /nfs/dbraw/zinc/40/12/90/373401290.db2.gz YFOJDPVNMWIFGU-FZMZJTMJSA-N 0 3 276.380 2.179 10 0 CEAEHN CC[C@H]1CCCCN1CCNC(=O)N1CCS[C@@H](C)C1 ZINC000247189103 220220553 /nfs/dbraw/zinc/22/05/53/220220553.db2.gz LFAGVKYJHJGKTJ-KBPBESRZSA-N 0 3 299.484 2.398 10 0 CEAEHN C[C@@H](c1c(F)cccc1F)N1CCO[C@H](CN(C)C)C1 ZINC000105927943 296223513 /nfs/dbraw/zinc/22/35/13/296223513.db2.gz DPPGXZSLFKKZJO-NWDGAFQWSA-N 0 3 284.350 2.288 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)NCc1csc(C)c1C ZINC000399856760 375370141 /nfs/dbraw/zinc/37/01/41/375370141.db2.gz ODIXFLXYOXSWAY-QPUJVOFHSA-N 0 3 254.399 2.355 10 0 CEAEHN Cc1cc(NCC2CN(C)C2)ncc1Br ZINC000307533916 376568597 /nfs/dbraw/zinc/56/85/97/376568597.db2.gz NWCJXNKYRZTFFX-UHFFFAOYSA-N 0 3 270.174 2.126 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCn2ccnc2C)c1C ZINC000312730561 376726719 /nfs/dbraw/zinc/72/67/19/376726719.db2.gz JDMZIWCFIJGAGX-LLVKDONJSA-N 0 3 275.400 2.376 10 0 CEAEHN O[C@]12CCCC[C@H]1CN(CCn1cc(Cl)cn1)CC2 ZINC000312899410 376733215 /nfs/dbraw/zinc/73/32/15/376733215.db2.gz LDNYFQDYLJCUMS-JSGCOSHPSA-N 0 3 283.803 2.164 10 0 CEAEHN COc1ccc(F)cc1CNC[C@@H]1CCC[C@@H]1O ZINC000291203019 377119268 /nfs/dbraw/zinc/11/92/68/377119268.db2.gz NFJHSFUEZNPZDD-GWCFXTLKSA-N 0 3 253.317 2.085 10 0 CEAEHN C[C@@H]1C[C@H](N[C@@H](CN(C)C)c2ccccc2)[C@@H](C)O1 ZINC000294945947 378031340 /nfs/dbraw/zinc/03/13/40/378031340.db2.gz AGEMJCLGJCTUOM-VDERGJSUSA-N 0 3 262.397 2.445 10 0 CEAEHN CCc1nn(C)cc1CN1CCC(Cn2cccn2)CC1 ZINC000180125644 542261684 /nfs/dbraw/zinc/26/16/84/542261684.db2.gz JEWZVMIGQUAQTL-UHFFFAOYSA-N 0 3 287.411 2.091 10 0 CEAEHN CC[C@H](CC(=O)N1CCN2CCC[C@@H]2C1)C(C)C ZINC000171471071 183615844 /nfs/dbraw/zinc/61/58/44/183615844.db2.gz FJVJQQZRZZHDMX-ZIAGYGMSSA-N 0 3 252.402 2.365 10 0 CEAEHN COC[C@H]1CN(c2ccnc3c(C)cccc23)CCO1 ZINC000301638122 379292991 /nfs/dbraw/zinc/29/29/91/379292991.db2.gz AJNUEBYEHGJLFG-CYBMUJFWSA-N 0 3 272.348 2.395 10 0 CEAEHN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181090472 542270792 /nfs/dbraw/zinc/27/07/92/542270792.db2.gz QZOLQKRYDCAPNL-CMPLNLGQSA-N 0 3 288.399 2.099 10 0 CEAEHN CN(CCN(C)Cc1ccc(F)cc1)CCn1cccn1 ZINC000181698027 542275316 /nfs/dbraw/zinc/27/53/16/542275316.db2.gz GNFFHTLHWWPCAL-UHFFFAOYSA-N 0 3 290.386 2.086 10 0 CEAEHN C[C@@H]1C[C@H](O)CN(Cc2ccc3ccccc3n2)C1 ZINC000334746871 207008650 /nfs/dbraw/zinc/00/86/50/207008650.db2.gz RZIVMLVCDOTBKL-DOMZBBRYSA-N 0 3 256.349 2.438 10 0 CEAEHN CCNCc1ccc(S(=O)(=O)N(CC)C2CC2)s1 ZINC000088940953 184614357 /nfs/dbraw/zinc/61/43/57/184614357.db2.gz HLMJEVMEYUBZCC-UHFFFAOYSA-N 0 3 288.438 2.031 10 0 CEAEHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1COC[C@@H]1NC ZINC000090434640 184616320 /nfs/dbraw/zinc/61/63/20/184616320.db2.gz LBFRLRKWTVCCSQ-IMJJTQAJSA-N 0 3 290.407 2.048 10 0 CEAEHN C[C@H](CS(C)(=O)=O)N[C@H]1CCCCc2ccccc21 ZINC000081902013 177885513 /nfs/dbraw/zinc/88/55/13/177885513.db2.gz ZETVJIVSQJCZLD-DOMZBBRYSA-N 0 3 281.421 2.477 10 0 CEAEHN Cc1ccccc1CS(=O)(=O)[C@H]1CCC(C)(C)[C@H]1N ZINC000094311528 184778272 /nfs/dbraw/zinc/77/82/72/184778272.db2.gz UWIGABKQWPJPPH-KBPBESRZSA-N 0 3 281.421 2.426 10 0 CEAEHN c1nn([C@H]2CCO[C@]3(CCSC3)C2)cc1CNC1CC1 ZINC000094412569 184794369 /nfs/dbraw/zinc/79/43/69/184794369.db2.gz LWHFVSPGCZSHLQ-LSDHHAIUSA-N 0 3 293.436 2.362 10 0 CEAEHN CCNCc1c(C)nn([C@H]2CCO[C@@]3(CCOC3)C2)c1C ZINC000094412459 184794597 /nfs/dbraw/zinc/79/45/97/184794597.db2.gz BZLCVWZUIXGDKW-HOCLYGCPSA-N 0 3 293.411 2.120 10 0 CEAEHN CC(C)NCc1cnc([C@H]2CSCCS2)nc1 ZINC000094500107 184810657 /nfs/dbraw/zinc/81/06/57/184810657.db2.gz HOGQDHXBSLBCBX-LLVKDONJSA-N 0 3 269.439 2.496 10 0 CEAEHN CNCC(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544512 184815927 /nfs/dbraw/zinc/81/59/27/184815927.db2.gz GTROLOAFJJIYAW-LCBVDAKKSA-N 0 3 250.386 2.071 10 0 CEAEHN CCO[C@H](C)[C@H](NC)c1cc(OC)cc(OC)c1 ZINC000094651176 184834853 /nfs/dbraw/zinc/83/48/53/184834853.db2.gz GRDVGQSKWJKNPC-YGRLFVJLSA-N 0 3 253.342 2.389 10 0 CEAEHN CCN[C@@H](COCC)c1cc(OC)cc(OC)c1 ZINC000094651445 184835134 /nfs/dbraw/zinc/83/51/34/184835134.db2.gz KZNKXIFNRLAADG-AWEZNQCLSA-N 0 3 253.342 2.391 10 0 CEAEHN CCCCCC(C)(C)CNS(=O)(=O)[C@@H](C)CNC ZINC000094996145 184912680 /nfs/dbraw/zinc/91/26/80/184912680.db2.gz IALROUNHAWQTGO-LBPRGKRZSA-N 0 3 278.462 2.120 10 0 CEAEHN Cc1ccc(NC(=O)[C@@H](N)C2CCOCC2)c2cccnc12 ZINC000262122871 131193053 /nfs/dbraw/zinc/19/30/53/131193053.db2.gz WIDHJGDYILPFDA-HNNXBMFYSA-N 0 3 299.374 2.236 10 0 CEAEHN CCC[C@](C)(N)C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000262718836 131255344 /nfs/dbraw/zinc/25/53/44/131255344.db2.gz XMZPVTBXTQHPNJ-INIZCTEOSA-N 0 3 291.395 2.004 10 0 CEAEHN CCC[C@](C)(N)C(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000262720483 131255779 /nfs/dbraw/zinc/25/57/79/131255779.db2.gz ZHBVRVJKKLANAQ-INIZCTEOSA-N 0 3 293.411 2.183 10 0 CEAEHN C[C@@H](CNCc1ccc([C@@H]2C[C@H]2C)o1)N1CCOCC1 ZINC000263165661 131284954 /nfs/dbraw/zinc/28/49/54/131284954.db2.gz PXQXMWZMNJMUQM-VNHYZAJKSA-N 0 3 278.396 2.213 10 0 CEAEHN C[C@H](N)c1cc(F)ccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000019872065 134711716 /nfs/dbraw/zinc/71/17/16/134711716.db2.gz RHFUVGUCOABWTM-AXFHLTTASA-N 0 3 252.333 2.459 10 0 CEAEHN Cc1nnc(N2CCC[C@H]3CCC[C@@H]32)c(CN)c1C ZINC000087766654 135051687 /nfs/dbraw/zinc/05/16/87/135051687.db2.gz RALXXMFGKGEPAF-OCCSQVGLSA-N 0 3 260.385 2.321 10 0 CEAEHN C[C@@H]1CN(c2c3nsnc3ccc2Cl)CCN1 ZINC000088128485 135052454 /nfs/dbraw/zinc/05/24/54/135052454.db2.gz VSANGUDOEZXPSF-SSDOTTSWSA-N 0 3 268.773 2.143 10 0 CEAEHN C[C@@H]1CN(c2ccc(OC(F)(F)F)cn2)C[C@H](C)N1 ZINC000090733393 135064204 /nfs/dbraw/zinc/06/42/04/135064204.db2.gz IXGCULCLSTWHFP-DTORHVGOSA-N 0 3 275.274 2.167 10 0 CEAEHN Cc1cc(C)c(CNC2CC2)c(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090907744 135066684 /nfs/dbraw/zinc/06/66/84/135066684.db2.gz IDGNWZYITYIVTK-GASCZTMLSA-N 0 3 287.407 2.318 10 0 CEAEHN C[C@@H]1CCc2ccccc2N1CC[C@@H]1CNCCO1 ZINC000091313550 135067768 /nfs/dbraw/zinc/06/77/68/135067768.db2.gz PEPJUQBLCONSKD-UKRRQHHQSA-N 0 3 260.381 2.206 10 0 CEAEHN C[C@@H](O)C(C)(C)CN1CCN(c2ccccc2)CC1 ZINC000091405657 135068970 /nfs/dbraw/zinc/06/89/70/135068970.db2.gz MOPYBGJDYNBQMK-CQSZACIVSA-N 0 3 262.397 2.216 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1c1cncc(CNC(C)(C)C)n1 ZINC000091420721 135069561 /nfs/dbraw/zinc/06/95/61/135069561.db2.gz TYQNVQJJWSCUMT-TZMCWYRMSA-N 0 3 292.427 2.368 10 0 CEAEHN Cc1cc(CO)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439821 135087668 /nfs/dbraw/zinc/08/76/68/135087668.db2.gz XLPHPWOMTCQCIR-OAHLLOKOSA-N 0 3 260.381 2.162 10 0 CEAEHN CC(C)[C@H](N)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000236787124 394487695 /nfs/dbraw/zinc/48/76/95/394487695.db2.gz BYZXMKRNNGEOAY-KBPBESRZSA-N 0 3 264.344 2.303 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2cccc(F)c2)C1 ZINC000052522237 394558004 /nfs/dbraw/zinc/55/80/04/394558004.db2.gz RFUBSRVOXDOYNF-CQSZACIVSA-N 0 3 279.359 2.109 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCSCC[C@H]2C)C1 ZINC000253281264 394576880 /nfs/dbraw/zinc/57/68/80/394576880.db2.gz WODUGIDHADTUIZ-MGPQQGTHSA-N 0 3 299.484 2.252 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCc2ccc(F)cc2)C1 ZINC000048768910 394528260 /nfs/dbraw/zinc/52/82/60/394528260.db2.gz HIGMSVDLWORTMI-AWEZNQCLSA-N 0 3 279.359 2.109 10 0 CEAEHN Cc1nn(-c2ccccc2)c(C)c1CNCC1CC(O)C1 ZINC000091423977 394656881 /nfs/dbraw/zinc/65/68/81/394656881.db2.gz GCIUSBBKDUMWBO-UHFFFAOYSA-N 0 3 285.391 2.350 10 0 CEAEHN C[C@H]1CCC[C@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523464 394628700 /nfs/dbraw/zinc/62/87/00/394628700.db2.gz SERAHGUATYDTCD-IQAUEXFUSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H]1CCC[C@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523464 394628701 /nfs/dbraw/zinc/62/87/01/394628701.db2.gz SERAHGUATYDTCD-IQAUEXFUSA-N 0 3 294.439 2.482 10 0 CEAEHN C[C@H]1CCC[C@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263523464 394628704 /nfs/dbraw/zinc/62/87/04/394628704.db2.gz SERAHGUATYDTCD-IQAUEXFUSA-N 0 3 294.439 2.482 10 0 CEAEHN C[NH+](C)C[C@@H]1CN(c2ccnc3ccccc32)CCO1 ZINC000110586213 394737322 /nfs/dbraw/zinc/73/73/22/394737322.db2.gz HMUXNUPRYWFOMP-CYBMUJFWSA-N 0 3 271.364 2.002 10 0 CEAEHN CN(C)C[C@@H]1CN(c2ccnc3ccccc32)CCO1 ZINC000110586213 394737323 /nfs/dbraw/zinc/73/73/23/394737323.db2.gz HMUXNUPRYWFOMP-CYBMUJFWSA-N 0 3 271.364 2.002 10 0 CEAEHN COCC[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000101777005 394707932 /nfs/dbraw/zinc/70/79/32/394707932.db2.gz GHGACAJSRJAPSN-ZFWWWQNUSA-N 0 3 293.411 2.014 10 0 CEAEHN Fc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000105802038 394723028 /nfs/dbraw/zinc/72/30/28/394723028.db2.gz NXSMDZPQCLKAPQ-OAHLLOKOSA-N 0 3 286.354 2.374 10 0 CEAEHN CC[C@H](SC)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000131490428 394912807 /nfs/dbraw/zinc/91/28/07/394912807.db2.gz HVCCXVWGRZIBQM-RYUDHWBXSA-N 0 3 258.431 2.071 10 0 CEAEHN CC(C)(C)OC(=O)CCN1CC[C@H](Oc2cccnc2)C1 ZINC000152383068 394995787 /nfs/dbraw/zinc/99/57/87/394995787.db2.gz FNCHWNPXKSNJOF-AWEZNQCLSA-N 0 3 292.379 2.267 10 0 CEAEHN CC(C)C[C@@H](NC[C@H]1CN(C)CCO1)c1ccccn1 ZINC000180495065 395203726 /nfs/dbraw/zinc/20/37/26/395203726.db2.gz JMWBITDVNFKGIG-GOEBONIOSA-N 0 3 277.412 2.089 10 0 CEAEHN CN(Cc1cccnc1)C[C@H]1CCN(CC(F)(F)F)C1 ZINC000195281494 395463736 /nfs/dbraw/zinc/46/37/36/395463736.db2.gz YUQYLHFPEURLKN-CYBMUJFWSA-N 0 3 287.329 2.398 10 0 CEAEHN CC[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000194492304 395439337 /nfs/dbraw/zinc/43/93/37/395439337.db2.gz HCVCJNFTMCZDGD-YNEHKIRRSA-N 0 3 255.406 2.205 10 0 CEAEHN CC(C)C[C@@H](N)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000037008028 400112451 /nfs/dbraw/zinc/11/24/51/400112451.db2.gz IFHFEGFJMVVDAT-SNVBAGLBSA-N 0 3 298.770 2.423 10 0 CEAEHN Oc1cccc2c1CC[C@H]2NCCc1cnccn1 ZINC000390194512 400540911 /nfs/dbraw/zinc/54/09/11/400540911.db2.gz KHWPBHOFNCCYCH-CQSZACIVSA-N 0 3 255.321 2.002 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000176751047 289316852 /nfs/dbraw/zinc/31/68/52/289316852.db2.gz FMGLCWDWOXQHKH-SNVBAGLBSA-N 0 3 281.425 2.217 10 0 CEAEHN CCOC[C@H](NC(=O)N(C)C[C@H]1CCCN1CC)C(C)C ZINC000191798039 153189594 /nfs/dbraw/zinc/18/95/94/153189594.db2.gz VJRLOBRFKYVYQG-CABCVRRESA-N 0 3 299.459 2.173 10 0 CEAEHN c1cnn(CC2CCN(CCO[C@@H]3CCCCO3)CC2)c1 ZINC000193050887 153227341 /nfs/dbraw/zinc/22/73/41/153227341.db2.gz NHWZGEGAOODUST-MRXNPFEDSA-N 0 3 293.411 2.138 10 0 CEAEHN O=C(CCc1cccc(F)c1F)N1CCN2CCC[C@H]2C1 ZINC000195190371 153284328 /nfs/dbraw/zinc/28/43/28/153284328.db2.gz HCNIHVMADKXICA-ZDUSSCGKSA-N 0 3 294.345 2.204 10 0 CEAEHN O=C(c1ccc2ncccc2c1)N1CCN2CCC[C@@H]2C1 ZINC000195450696 153287725 /nfs/dbraw/zinc/28/77/25/153287725.db2.gz LZKOORIFWHKRQF-OAHLLOKOSA-N 0 3 281.359 2.155 10 0 CEAEHN COc1c(CNC[C@H]2CC[C@@H](C)C2)c(C)nn1C ZINC000230410261 153392410 /nfs/dbraw/zinc/39/24/10/153392410.db2.gz CVXIPPOJBOSOLU-PWSUYJOCSA-N 0 3 251.374 2.263 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCCNC2=O)cc1Cl ZINC000235854520 153444353 /nfs/dbraw/zinc/44/43/53/153444353.db2.gz ABTJQUORGCULDF-GFCCVEGCSA-N 0 3 252.745 2.017 10 0 CEAEHN CN1CCNC[C@H]1c1noc(-c2coc3ccccc23)n1 ZINC000263146655 154025073 /nfs/dbraw/zinc/02/50/73/154025073.db2.gz CUADNAOZSCHLFY-LBPRGKRZSA-N 0 3 284.319 2.059 10 0 CEAEHN Cc1cccc(C2(c3nc([C@H]4CNCCN4C)no3)CC2)c1 ZINC000263200654 154034801 /nfs/dbraw/zinc/03/48/01/154034801.db2.gz JAVUZQHHGVMXTC-CQSZACIVSA-N 0 3 298.390 2.034 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@@H](C)c2ccccc2)C1 ZINC000263484780 154100400 /nfs/dbraw/zinc/10/04/00/154100400.db2.gz HBEALFUVYSLZMF-IUDNXUCKSA-N 0 3 290.407 2.317 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@@H](C)c2ccccc2)C1 ZINC000263484780 154100403 /nfs/dbraw/zinc/10/04/03/154100403.db2.gz HBEALFUVYSLZMF-IUDNXUCKSA-N 0 3 290.407 2.317 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000263484780 154100404 /nfs/dbraw/zinc/10/04/04/154100404.db2.gz HBEALFUVYSLZMF-IUDNXUCKSA-N 0 3 290.407 2.317 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C2CCC3(CC3)CC2)C1 ZINC000263503852 154103894 /nfs/dbraw/zinc/10/38/94/154103894.db2.gz LJXFAZILWYFXKQ-UHFFFAOYSA-N 0 3 280.412 2.236 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC2CCC3(CC3)CC2)C1 ZINC000263503852 154103898 /nfs/dbraw/zinc/10/38/98/154103898.db2.gz LJXFAZILWYFXKQ-UHFFFAOYSA-N 0 3 280.412 2.236 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC2CCC3(CC3)CC2)C1 ZINC000263503852 154103902 /nfs/dbraw/zinc/10/39/02/154103902.db2.gz LJXFAZILWYFXKQ-UHFFFAOYSA-N 0 3 280.412 2.236 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000263491772 154105089 /nfs/dbraw/zinc/10/50/89/154105089.db2.gz ISTCJILFTLEFJD-QRNKSROTSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000263491772 154105098 /nfs/dbraw/zinc/10/50/98/154105098.db2.gz ISTCJILFTLEFJD-QRNKSROTSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000263491772 154105105 /nfs/dbraw/zinc/10/51/05/154105105.db2.gz ISTCJILFTLEFJD-QRNKSROTSA-N 0 3 294.439 2.482 10 0 CEAEHN CC[C@H]([NH2+]C1CC(N(CC)CC(=O)[O-])C1)C1CCC1 ZINC000263522373 154109970 /nfs/dbraw/zinc/10/99/70/154109970.db2.gz RREJXZQTPDZXKO-RUXDESIVSA-N 0 3 268.401 2.092 10 0 CEAEHN CC1(CNC(=O)N2CCN3CCC[C@H]3C2)CCCC1 ZINC000171908102 165054311 /nfs/dbraw/zinc/05/43/11/165054311.db2.gz LTUDFAAODQZOQK-ZDUSSCGKSA-N 0 3 265.401 2.056 10 0 CEAEHN CCCCC[C@@H](C)CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173521567 165075288 /nfs/dbraw/zinc/07/52/88/165075288.db2.gz GGRKHRICKCQWLV-CABCVRRESA-N 0 3 284.444 2.382 10 0 CEAEHN CCS[C@@H](C)c1noc(CN2CCN3CCC[C@@H]3C2)n1 ZINC000178446646 165241198 /nfs/dbraw/zinc/24/11/98/165241198.db2.gz ZOOPEZBGHQVXOU-NWDGAFQWSA-N 0 3 296.440 2.164 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1Cc1cncs1 ZINC000180122628 165297032 /nfs/dbraw/zinc/29/70/32/165297032.db2.gz OIFPVUJAKHUTJJ-LBPRGKRZSA-N 0 3 262.382 2.313 10 0 CEAEHN C[C@@H](c1ccccc1F)N1CCO[C@@H](CN(C)C)C1 ZINC000247003404 287151295 /nfs/dbraw/zinc/15/12/95/287151295.db2.gz BRBPWRZUHQZYBD-STQMWFEESA-N 0 3 266.360 2.149 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(F)c(F)c1F ZINC000019439876 170801867 /nfs/dbraw/zinc/80/18/67/170801867.db2.gz CUMXAQOOIDXMTN-KSBSHMNSSA-N 0 3 260.259 2.416 10 0 CEAEHN O=C(CCNCc1ccccc1Cl)N1CCCC1 ZINC000020127106 171012194 /nfs/dbraw/zinc/01/21/94/171012194.db2.gz KMHFQXMEJPPYLT-UHFFFAOYSA-N 0 3 266.772 2.442 10 0 CEAEHN CC(C)COCCCN[C@@H]1COc2cc(O)ccc21 ZINC000020147303 171033689 /nfs/dbraw/zinc/03/36/89/171033689.db2.gz JXLJQTORMVJEDM-CQSZACIVSA-N 0 3 265.353 2.478 10 0 CEAEHN CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1N ZINC000022166592 171366180 /nfs/dbraw/zinc/36/61/80/171366180.db2.gz DAELHJYLGVVRAY-LLVKDONJSA-N 0 3 281.787 2.136 10 0 CEAEHN CN(C)[C@@H](CN)c1ccc(F)c(Br)c1 ZINC000022177466 171371272 /nfs/dbraw/zinc/37/12/72/171371272.db2.gz YDKHHTBYHRGNGB-JTQLQIEISA-N 0 3 261.138 2.150 10 0 CEAEHN [NH3+]Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000022210117 171373137 /nfs/dbraw/zinc/37/31/37/171373137.db2.gz YGDXBKYNRRAOQN-UHFFFAOYSA-N 0 3 298.314 2.224 10 0 CEAEHN CCN(CC)[C@@H](CN)c1ccc(OC)c(OC)c1OC ZINC000022213092 171374471 /nfs/dbraw/zinc/37/44/71/171374471.db2.gz VHKICFNLUVHUBM-LBPRGKRZSA-N 0 3 282.384 2.054 10 0 CEAEHN NCc1ccccc1NC(=O)COc1ccc(F)cc1 ZINC000022212691 171374515 /nfs/dbraw/zinc/37/45/15/171374515.db2.gz HBRDMFPAFDCCFR-UHFFFAOYSA-N 0 3 274.295 2.302 10 0 CEAEHN NCc1ccccc1OCC(=O)Nc1ccc(F)cc1 ZINC000022218534 171376841 /nfs/dbraw/zinc/37/68/41/171376841.db2.gz LXVWWIQAQGGZBP-UHFFFAOYSA-N 0 3 274.295 2.302 10 0 CEAEHN CC(C)N(C)[C@H](CN)c1ccc(Br)o1 ZINC000022222111 171378816 /nfs/dbraw/zinc/37/88/16/171378816.db2.gz MQQMGBYZFWASPQ-MRVPVSSYSA-N 0 3 261.163 2.382 10 0 CEAEHN CCN1CCN(C[C@@H](N)c2c(C)cc(C)cc2C)CC1 ZINC000022563149 171391026 /nfs/dbraw/zinc/39/10/26/171391026.db2.gz SZPKXUQPWWJACG-MRXNPFEDSA-N 0 3 275.440 2.249 10 0 CEAEHN CCOc1ccc([C@@H](N)CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022566259 171391656 /nfs/dbraw/zinc/39/16/56/171391656.db2.gz LPXFXYVTPRAHRH-XEZPLFJOSA-N 0 3 278.396 2.194 10 0 CEAEHN CN[C@@H](c1cccnc1)c1ccc(OC)c(OC)c1 ZINC000035463285 172210868 /nfs/dbraw/zinc/21/08/68/172210868.db2.gz WFBLDVIWWKWIKB-OAHLLOKOSA-N 0 3 258.321 2.408 10 0 CEAEHN CC(C)NCc1cc(Cl)cc(Cl)c1OCC(N)=O ZINC000035662145 172340202 /nfs/dbraw/zinc/34/02/02/172340202.db2.gz MLTZELBCNZQELL-UHFFFAOYSA-N 0 3 291.178 2.356 10 0 CEAEHN N[C@H]1CC(=O)N(c2ccccc2SC(F)F)C1 ZINC000035679777 172350558 /nfs/dbraw/zinc/35/05/58/172350558.db2.gz XOMCWISJGOVENX-ZETCQYMHSA-N 0 3 258.293 2.065 10 0 CEAEHN CN(Cc1ccsc1)c1nc2ccccn2c1CN ZINC000035719571 172373785 /nfs/dbraw/zinc/37/37/85/172373785.db2.gz PLFUZGBJNIFEDM-UHFFFAOYSA-N 0 3 272.377 2.491 10 0 CEAEHN CC(C)c1ccc2c(c1)[C@@H](N)C[C@H](C)S2(=O)=O ZINC000035752297 172396726 /nfs/dbraw/zinc/39/67/26/172396726.db2.gz AGKVPIWLHNKXSZ-CABZTGNLSA-N 0 3 253.367 2.376 10 0 CEAEHN CCCN[C@H]1c2cc(F)ccc2S(=O)(=O)C[C@H]1C ZINC000035761545 172399570 /nfs/dbraw/zinc/39/95/70/172399570.db2.gz RMGUOEITKDEHOK-NOZJJQNGSA-N 0 3 271.357 2.290 10 0 CEAEHN COc1nc2sccn2c1CN[C@@H](C)[C@@H]1CCCO1 ZINC000037242477 173058727 /nfs/dbraw/zinc/05/87/27/173058727.db2.gz SJZABVOFENODPP-ONGXEEELSA-N 0 3 281.381 2.062 10 0 CEAEHN C[C@H](N[C@@H](c1cccs1)C1CCCC1)C(N)=O ZINC000037261544 173071462 /nfs/dbraw/zinc/07/14/62/173071462.db2.gz WBMOCFHIIBOUPT-JOYOIKCWSA-N 0 3 252.383 2.443 10 0 CEAEHN COC1CCN([C@H](CN)c2ccccc2Cl)CC1 ZINC000037266006 173074999 /nfs/dbraw/zinc/07/49/99/173074999.db2.gz CDVPOEOCRGLXAF-CQSZACIVSA-N 0 3 268.788 2.451 10 0 CEAEHN N[C@H](c1ccc2c(c1)CCCC(=O)N2)[C@H]1CCCO1 ZINC000037371269 173160351 /nfs/dbraw/zinc/16/03/51/173160351.db2.gz BUDRZFXYHQFPGC-UKRRQHHQSA-N 0 3 260.337 2.140 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccc(Br)cn1 ZINC000037395366 173176261 /nfs/dbraw/zinc/17/62/61/173176261.db2.gz DQKJERIUIBEVJL-QMMMGPOBSA-N 0 3 286.173 2.171 10 0 CEAEHN CC(C)[C@@H](N)C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000037811186 173755179 /nfs/dbraw/zinc/75/51/79/173755179.db2.gz ADVCXIYEAKSEAE-YIYPIFLZSA-N 0 3 252.402 2.397 10 0 CEAEHN N[C@H]1c2cc(Br)ccc2CCC[C@H]1O ZINC000039941518 174175694 /nfs/dbraw/zinc/17/56/94/174175694.db2.gz BZTCUTHVQHKBPV-MNOVXSKESA-N 0 3 256.143 2.146 10 0 CEAEHN CCOc1ccc([C@H](CNC(C)=O)N2CCCC2)cc1 ZINC000040614534 174353388 /nfs/dbraw/zinc/35/33/88/174353388.db2.gz RGAHUCKRFNPKJJ-INIZCTEOSA-N 0 3 276.380 2.358 10 0 CEAEHN CC(C)NC(=O)[C@H](C)NCc1cc2c(s1)CCC2 ZINC000040627241 174357039 /nfs/dbraw/zinc/35/70/39/174357039.db2.gz JXQQPAUJTAAMHA-JTQLQIEISA-N 0 3 266.410 2.240 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000040629943 174357699 /nfs/dbraw/zinc/35/76/99/174357699.db2.gz JCLMZGGIDIIKRE-ZIAGYGMSSA-N 0 3 276.380 2.300 10 0 CEAEHN CO[C@H]1CN[C@H](C(=O)Nc2cccc(OCC(C)C)c2)C1 ZINC000040634213 174360433 /nfs/dbraw/zinc/36/04/33/174360433.db2.gz NYZJWIWLFXMHSA-CABCVRRESA-N 0 3 292.379 2.037 10 0 CEAEHN CCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](OC)CN1 ZINC000040634375 174360503 /nfs/dbraw/zinc/36/05/03/174360503.db2.gz BJBXDTWATKKXPO-PWSUYJOCSA-N 0 3 298.770 2.054 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2ccc(F)cc2F)CC1 ZINC000040678671 174374753 /nfs/dbraw/zinc/37/47/53/174374753.db2.gz LVRPCRKICJHZGO-HNNXBMFYSA-N 0 3 284.350 2.466 10 0 CEAEHN CCNCc1c(N2CC[C@H](C)C2)nc2sccn12 ZINC000040723692 174385798 /nfs/dbraw/zinc/38/57/98/174385798.db2.gz LKLHGZYQHWERCN-JTQLQIEISA-N 0 3 264.398 2.352 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000040829098 174411224 /nfs/dbraw/zinc/41/12/24/174411224.db2.gz GHMZTLMKNMAITO-CABZTGNLSA-N 0 3 274.324 2.049 10 0 CEAEHN Cc1oc(C)c(C(=O)N(C)[C@@H](CN)C(F)(F)F)c1C ZINC000662976265 414815610 /nfs/dbraw/zinc/81/56/10/414815610.db2.gz FEITWRSUUGPBJZ-VIFPVBQESA-N 0 3 278.274 2.166 10 0 CEAEHN CCc1ccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)cc1 ZINC000662977518 414816882 /nfs/dbraw/zinc/81/68/82/414816882.db2.gz VDFYSCSQNNKWQR-NSHDSACASA-N 0 3 274.286 2.211 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@@H](CN)C(F)(F)F)cc1F ZINC000662977981 414817393 /nfs/dbraw/zinc/81/73/93/414817393.db2.gz NFQKKBWMRPGWIV-JTQLQIEISA-N 0 3 278.249 2.096 10 0 CEAEHN CN(C(=O)c1cc2ccccc2[nH]1)[C@H](CN)C(F)(F)F ZINC000662986279 414818664 /nfs/dbraw/zinc/81/86/64/414818664.db2.gz KQINACBSQZJBCQ-LLVKDONJSA-N 0 3 285.269 2.130 10 0 CEAEHN CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@H](CN)C(F)(F)F ZINC000662986383 414819515 /nfs/dbraw/zinc/81/95/15/414819515.db2.gz DLCPEWMYYSDLAR-NXEZZACHSA-N 0 3 278.318 2.305 10 0 CEAEHN Cc1scc(C(=O)N(C)[C@@H](CN)C(F)(F)F)c1C ZINC000662984278 414819590 /nfs/dbraw/zinc/81/95/90/414819590.db2.gz JSYFOUSKNAAROX-VIFPVBQESA-N 0 3 280.315 2.327 10 0 CEAEHN NC[C@@H](Oc1ccccc1C(N)=O)c1ccccc1F ZINC000043047774 174957467 /nfs/dbraw/zinc/95/74/67/174957467.db2.gz RZZOFPRHHRHRAC-CQSZACIVSA-N 0 3 274.295 2.003 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@@H](OC2CCC2)C1 ZINC000653812032 415113953 /nfs/dbraw/zinc/11/39/53/415113953.db2.gz ADJHVQPLJSVWHB-GOEBONIOSA-N 0 3 285.428 2.198 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccc(C)s1)N(C)CC(=O)NC(C)C ZINC000043243147 174990722 /nfs/dbraw/zinc/99/07/22/174990722.db2.gz SFQDDVHJHOYBGA-DOMZBBRYSA-N 0 3 297.468 2.291 10 0 CEAEHN CN[C@H](c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300263 175001191 /nfs/dbraw/zinc/00/11/91/175001191.db2.gz POEOQSUZTHXCNW-ZYHUDNBSSA-N 0 3 273.785 2.035 10 0 CEAEHN CCN[C@H](c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300914 175001464 /nfs/dbraw/zinc/00/14/64/175001464.db2.gz NCBPLSPDYIISCK-ZIAGYGMSSA-N 0 3 267.394 2.080 10 0 CEAEHN CN[C@H](c1cccc(OC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300718 175001775 /nfs/dbraw/zinc/00/17/75/175001775.db2.gz RXYVSPWKPFBJOG-UKRRQHHQSA-N 0 3 297.420 2.169 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301396 175002086 /nfs/dbraw/zinc/00/20/86/175002086.db2.gz IDIHXFJSUGHKSF-ZFWWWQNUSA-N 0 3 297.420 2.171 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1cccc(C)c1C ZINC000043314700 175004708 /nfs/dbraw/zinc/00/47/08/175004708.db2.gz VRNFQDABXMXNDI-HOCLYGCPSA-N 0 3 262.397 2.414 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccco1)N1CCOC[C@@H]1CC ZINC000043335332 175011290 /nfs/dbraw/zinc/01/12/90/175011290.db2.gz IHDNFMFAWMIIII-OUCADQQQSA-N 0 3 252.358 2.169 10 0 CEAEHN CCO[C@@H]1CCCN([C@@H](c2ccco2)[C@@H](C)N)C1 ZINC000043336009 175011787 /nfs/dbraw/zinc/01/17/87/175011787.db2.gz BEQIQNXTLHUIMZ-YRGRVCCFSA-N 0 3 252.358 2.169 10 0 CEAEHN C[C@H](N)[C@@H](Oc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337397 175012691 /nfs/dbraw/zinc/01/26/91/175012691.db2.gz BIAKIBKSKBWCEB-LKFCYVNXSA-N 0 3 261.277 2.476 10 0 CEAEHN CC[C@H](N)[C@H](c1ccc(C)o1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000043363676 175023968 /nfs/dbraw/zinc/02/39/68/175023968.db2.gz FSWILXGDAGYVNP-SFDCQRBFSA-N 0 3 266.385 2.476 10 0 CEAEHN OC[C@H](NC[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391481 175034170 /nfs/dbraw/zinc/03/41/70/175034170.db2.gz WHDJQHYGRHGBTG-GWCFXTLKSA-N 0 3 273.735 2.281 10 0 CEAEHN CCN[C@@H](CN(C)CC)c1ccc(OC)c(OC)c1 ZINC000043820582 175113837 /nfs/dbraw/zinc/11/38/37/175113837.db2.gz MGTUERGXDWDKCK-ZDUSSCGKSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@H](CN(C)CC)c1ccc(OC)c(OC)c1 ZINC000043820584 175114053 /nfs/dbraw/zinc/11/40/53/175114053.db2.gz MGTUERGXDWDKCK-CYBMUJFWSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N1CCOC(C)(C)C1 ZINC000043897927 175120392 /nfs/dbraw/zinc/12/03/92/175120392.db2.gz OZBBHTATHIJUDM-ZBFHGGJFSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](CN(C)C1CCOCC1)c1ccccc1OC ZINC000043898140 175121396 /nfs/dbraw/zinc/12/13/96/175121396.db2.gz ZBUPQGRAVZCQQO-HNNXBMFYSA-N 0 3 278.396 2.067 10 0 CEAEHN CCOC1CCN(C[C@H](NC)c2ccccc2OC)CC1 ZINC000043906937 175122892 /nfs/dbraw/zinc/12/28/92/175122892.db2.gz BBBVERXZAHWVKU-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@@H]1c2ccccc2OC[C@H]1N(CC)CCOC ZINC000043968809 175129607 /nfs/dbraw/zinc/12/96/07/175129607.db2.gz YIPPNSOTHRWNFY-NVXWUHKLSA-N 0 3 292.423 2.457 10 0 CEAEHN CCOC(=O)CCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000044363832 175167710 /nfs/dbraw/zinc/16/77/10/175167710.db2.gz IVQUTDQFQVWOKB-NSHDSACASA-N 0 3 281.352 2.308 10 0 CEAEHN O=C1NCCCC[C@H]1N[C@H]1CCCc2cc(O)ccc21 ZINC000044747166 175242841 /nfs/dbraw/zinc/24/28/41/175242841.db2.gz MESIJWZDDZIFKR-LSDHHAIUSA-N 0 3 274.364 2.028 10 0 CEAEHN C[C@@H]1CCCCN1C(=O)[C@H](CN)Cc1ccccc1 ZINC000044795519 175254834 /nfs/dbraw/zinc/25/48/34/175254834.db2.gz XYVAJQOWGDHGKK-HIFRSBDPSA-N 0 3 260.381 2.205 10 0 CEAEHN C[C@H](NC(=O)[C@@H](CN)Cc1ccccc1)c1ccco1 ZINC000044801384 175255747 /nfs/dbraw/zinc/25/57/47/175255747.db2.gz DJRZSPISJIIOGR-GXTWGEPZSA-N 0 3 272.348 2.274 10 0 CEAEHN CN[C@](C)(CCOC)c1nc2c(s1)CCCC2 ZINC000045044646 175295622 /nfs/dbraw/zinc/29/56/22/175295622.db2.gz HMOWQSOXXHKDCR-CYBMUJFWSA-N 0 3 254.399 2.493 10 0 CEAEHN CC(C)c1ccc(CNC[C@@H](O)Cn2cccn2)cc1 ZINC000045044576 175295774 /nfs/dbraw/zinc/29/57/74/175295774.db2.gz IZILNLQGOIWPGX-MRXNPFEDSA-N 0 3 273.380 2.157 10 0 CEAEHN CC(C)CCOCCNC[C@@H](O)c1cccs1 ZINC000045106738 175308289 /nfs/dbraw/zinc/30/82/89/175308289.db2.gz VTVYYWLDVPANRX-GFCCVEGCSA-N 0 3 257.399 2.434 10 0 CEAEHN CCC(CC)NC(=O)[C@H](C)NCCOCCC(C)C ZINC000045106864 175308475 /nfs/dbraw/zinc/30/84/75/175308475.db2.gz RFCCJWRDCFDEPS-ZDUSSCGKSA-N 0 3 272.433 2.332 10 0 CEAEHN Cc1nn(C)c(C)c1[C@H](C)NCCc1ccccn1 ZINC000045167405 175319509 /nfs/dbraw/zinc/31/95/09/175319509.db2.gz TUEPTKMISSLNFK-NSHDSACASA-N 0 3 258.369 2.325 10 0 CEAEHN CCCN[C@@](C)(CN1CCCCCCC1)C(=O)OC ZINC000045223676 175331354 /nfs/dbraw/zinc/33/13/54/175331354.db2.gz CIRYLPMRCHLYFV-HNNXBMFYSA-N 0 3 270.417 2.184 10 0 CEAEHN CCN[C@](C)(CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231218 175335159 /nfs/dbraw/zinc/33/51/59/175335159.db2.gz JAERGWAFVZDQJQ-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](C)C1CCCCC1)C(=O)[O-] ZINC000045231218 175335160 /nfs/dbraw/zinc/33/51/60/175335160.db2.gz JAERGWAFVZDQJQ-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CC[NH2+][C@](C)(CCN(C)C1CCCCC1)C(=O)[O-] ZINC000045231218 175335161 /nfs/dbraw/zinc/33/51/61/175335161.db2.gz JAERGWAFVZDQJQ-CQSZACIVSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@@](C)(CN(CC)C(C)C)C(=O)OCC ZINC000045265525 175338614 /nfs/dbraw/zinc/33/86/14/175338614.db2.gz ZWZWMECYCBNBKV-AWEZNQCLSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCCN(C[C@@](C)(NCC)C(=O)OCC)C1CC1 ZINC000045276245 175346801 /nfs/dbraw/zinc/34/68/01/175346801.db2.gz BQKCATGTHPWTLP-OAHLLOKOSA-N 0 3 270.417 2.182 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)[C@@H](C)CC(C)C)NC1CC1 ZINC000045279980 175350203 /nfs/dbraw/zinc/35/02/03/175350203.db2.gz RZGMFAKPLDJCLO-BBRMVZONSA-N 0 3 284.444 2.427 10 0 CEAEHN CCC1CCN(C[C@](C)(NC(C)C)C(=O)OC)CC1 ZINC000045281394 175352113 /nfs/dbraw/zinc/35/21/13/175352113.db2.gz OBUGZGGNWMLICY-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCOC(=O)[C@H](CN(C)C1CCCCC1)NC(C)C ZINC000045379023 175368263 /nfs/dbraw/zinc/36/82/63/175368263.db2.gz WISYYEUOLZZVIP-AWEZNQCLSA-N 0 3 270.417 2.181 10 0 CEAEHN CCOC(=O)[C@H](CN1CCCC[C@@H]1CC)NC(C)C ZINC000045384041 175370727 /nfs/dbraw/zinc/37/07/27/175370727.db2.gz VBNXCUOCRWKCSK-KBPBESRZSA-N 0 3 270.417 2.181 10 0 CEAEHN C[C@@H]1CCN(C[C@H](O)COCc2ccccc2)C[C@H](C)O1 ZINC000661855842 415502407 /nfs/dbraw/zinc/50/24/07/415502407.db2.gz JLBQCHPYFNFZNH-VYDXJSESSA-N 0 3 293.407 2.063 10 0 CEAEHN CNCc1ccn(Cc2ccccc2Br)n1 ZINC000070708959 176002966 /nfs/dbraw/zinc/00/29/66/176002966.db2.gz BMXAJQXYNACTRL-UHFFFAOYSA-N 0 3 280.169 2.413 10 0 CEAEHN Nc1cccc(Cl)c1SC[C@H]1CNCCO1 ZINC000070834404 176007846 /nfs/dbraw/zinc/00/78/46/176007846.db2.gz MZQZKMYKNFFIGM-MRVPVSSYSA-N 0 3 258.774 2.003 10 0 CEAEHN C[C@H](Cc1ccc(F)cc1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071031284 176022608 /nfs/dbraw/zinc/02/26/08/176022608.db2.gz UKNASYAVVSVZCC-MLGOLLRUSA-N 0 3 290.382 2.500 10 0 CEAEHN Cc1c(F)cccc1N1CC[C@@H](NC(C)C)C1=O ZINC000071031638 176022929 /nfs/dbraw/zinc/02/29/29/176022929.db2.gz ZXCZJZHGVHAKHV-GFCCVEGCSA-N 0 3 250.317 2.237 10 0 CEAEHN C[C@H](c1cccc(F)c1)N1CC[C@H](NC2CC2)C1=O ZINC000071034923 176024784 /nfs/dbraw/zinc/02/47/84/176024784.db2.gz GSZALWPIFVLEAJ-YGRLFVJLSA-N 0 3 262.328 2.240 10 0 CEAEHN CCCN[C@@H]1CCCN(c2ccc(OC)cc2C)C1=O ZINC000071042621 176028574 /nfs/dbraw/zinc/02/85/74/176028574.db2.gz JXJGJFIJFVKNQF-CQSZACIVSA-N 0 3 276.380 2.499 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2cnc3ccccc3c2)C1=O ZINC000071042704 176028682 /nfs/dbraw/zinc/02/86/82/176028682.db2.gz YQXXTKOEVMHPFV-OAHLLOKOSA-N 0 3 269.348 2.338 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1c1cnc2ccccc2c1 ZINC000071042726 176028807 /nfs/dbraw/zinc/02/88/07/176028807.db2.gz HCQQZYMBDWOISC-INIZCTEOSA-N 0 3 281.359 2.482 10 0 CEAEHN C[C@@H]1CCC[C@@H](N(CC(N)=O)Cc2ccccc2N)C1 ZINC000071150540 176045220 /nfs/dbraw/zinc/04/52/20/176045220.db2.gz QOBFFVVYLAJBFX-TZMCWYRMSA-N 0 3 275.396 2.135 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1O[C@@H]1CCN(C)C1=O ZINC000071183189 176058390 /nfs/dbraw/zinc/05/83/90/176058390.db2.gz FVPJFWCASNUUIZ-ZWNOBZJWSA-N 0 3 280.343 2.106 10 0 CEAEHN Cc1c(C)c(N(C)CCN2CCCC2)nnc1Cl ZINC000071187178 176060913 /nfs/dbraw/zinc/06/09/13/176060913.db2.gz ASJZZHVJFRCTAN-UHFFFAOYSA-N 0 3 268.792 2.279 10 0 CEAEHN CCN(Cc1ccc(F)cc1C(N)=S)C1CC1 ZINC000071265733 176099367 /nfs/dbraw/zinc/09/93/67/176099367.db2.gz MNVFGAPCJSTJPE-UHFFFAOYSA-N 0 3 252.358 2.444 10 0 CEAEHN COc1ccc(C2CC(NCc3nccn3C)C2)cc1 ZINC000071273212 176105036 /nfs/dbraw/zinc/10/50/36/176105036.db2.gz SMBYCIKBDUYQOR-UHFFFAOYSA-N 0 3 271.364 2.465 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1Cc1ccc(Cl)s1 ZINC000071321631 176122301 /nfs/dbraw/zinc/12/23/01/176122301.db2.gz SCCDXURHNAGUAD-SNVBAGLBSA-N 0 3 270.785 2.254 10 0 CEAEHN OCCN1CCCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000071349704 176134237 /nfs/dbraw/zinc/13/42/37/176134237.db2.gz HCLIFZCHDQMGIU-UHFFFAOYSA-N 0 3 288.313 2.210 10 0 CEAEHN C[C@H]1CCC[C@](CO)(NCc2cnn3ccccc23)C1 ZINC000071373519 176139010 /nfs/dbraw/zinc/13/90/10/176139010.db2.gz RHXKPJJDJTUWNT-BBRMVZONSA-N 0 3 273.380 2.365 10 0 CEAEHN CN(C(=O)c1ccc(N)c(Cl)c1)C1CCN(C)CC1 ZINC000071394808 176149856 /nfs/dbraw/zinc/14/98/56/176149856.db2.gz HKEULQKDQMVRAL-UHFFFAOYSA-N 0 3 281.787 2.088 10 0 CEAEHN CCOC(=O)[C@](C)(NCCN(C)C)C1CCCCC1 ZINC000071399864 176152376 /nfs/dbraw/zinc/15/23/76/176152376.db2.gz DTJMXDFNIJAFKS-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@@H](C)C(=O)OCC ZINC000071403831 176155184 /nfs/dbraw/zinc/15/51/84/176155184.db2.gz KAUZRWRPFWOYLF-LBPRGKRZSA-N 0 3 265.353 2.435 10 0 CEAEHN Cc1cc2c(nc(C)n(C3CCN(C)CC3)c2=O)s1 ZINC000071527878 176194599 /nfs/dbraw/zinc/19/45/99/176194599.db2.gz HJCADOFODXVHSO-UHFFFAOYSA-N 0 3 277.393 2.342 10 0 CEAEHN COc1ccc(Cl)cc1Cn1cnc(CN)c1 ZINC000071573840 176200763 /nfs/dbraw/zinc/20/07/63/176200763.db2.gz JSDITMALLBOJHD-UHFFFAOYSA-N 0 3 251.717 2.052 10 0 CEAEHN COc1cc([C@@H](CN)N(C)C2CC2)c(OC)cc1C ZINC000076368651 177005648 /nfs/dbraw/zinc/00/56/48/177005648.db2.gz BKGIOYNHLSJTDD-CYBMUJFWSA-N 0 3 264.369 2.106 10 0 CEAEHN Cc1ccc(CN2CCN(CCn3ccnc3)CC2)cc1 ZINC000077120169 177226644 /nfs/dbraw/zinc/22/66/44/177226644.db2.gz IVTCLQZTEYWSMI-UHFFFAOYSA-N 0 3 284.407 2.009 10 0 CEAEHN C/C=C/CS(=O)(=O)C(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000078481535 177345170 /nfs/dbraw/zinc/34/51/70/177345170.db2.gz KXQKADSZEZVZJH-QITAHTHBSA-N 0 3 295.404 2.243 10 0 CEAEHN CCOc1cc2c(cc1CNCC[C@H](C)O)O[C@@H](C)C2 ZINC000078781960 177387711 /nfs/dbraw/zinc/38/77/11/177387711.db2.gz YXNOVPBJOSIUAN-RYUDHWBXSA-N 0 3 279.380 2.269 10 0 CEAEHN Cc1nn(C)c(N2CCC[C@H](C(C)C)CC2)c1CN ZINC000079298291 177466672 /nfs/dbraw/zinc/46/66/72/177466672.db2.gz OTVCLYFWCRQDCD-ZDUSSCGKSA-N 0 3 264.417 2.450 10 0 CEAEHN C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCCO1 ZINC000044276751 270229387 /nfs/dbraw/zinc/22/93/87/270229387.db2.gz DLWZADLYDXLQFZ-SWLSCSKDSA-N 0 3 291.395 2.437 10 0 CEAEHN CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1CC1 ZINC000194191324 270294114 /nfs/dbraw/zinc/29/41/14/270294114.db2.gz MNIPUVZWQVICJZ-GFCCVEGCSA-N 0 3 255.406 2.157 10 0 CEAEHN CCC[C@H](C(=O)NCC1(SC)CCC1)N(C)C ZINC000194620364 270301426 /nfs/dbraw/zinc/30/14/26/270301426.db2.gz YDPRBPCUXRKHHF-LLVKDONJSA-N 0 3 258.431 2.119 10 0 CEAEHN Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)c(Cl)c1 ZINC000392928461 270341980 /nfs/dbraw/zinc/34/19/80/270341980.db2.gz NQTWQJZERBWJTH-GXFFZTMASA-N 0 3 266.772 2.405 10 0 CEAEHN CC[C@](C)(O)CN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000396483229 270349708 /nfs/dbraw/zinc/34/97/08/270349708.db2.gz MXRJQVLRLUUPLC-RDJZCZTQSA-N 0 3 276.424 2.354 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@H]2CSc3ccccc32)C1 ZINC000118330102 273817087 /nfs/dbraw/zinc/81/70/87/273817087.db2.gz XZAYIHJESMLHPM-AAEUAGOBSA-N 0 3 276.405 2.038 10 0 CEAEHN c1csc(-c2nc3c(c(N4CCNCC4)n2)CCC3)c1 ZINC000057328772 275074796 /nfs/dbraw/zinc/07/47/96/275074796.db2.gz CZTCSAATGHDSDP-UHFFFAOYSA-N 0 3 286.404 2.103 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC000245431840 276180868 /nfs/dbraw/zinc/18/08/68/276180868.db2.gz NMNJIHVVXCKNOB-KGLIPLIRSA-N 0 3 250.386 2.285 10 0 CEAEHN CCN1CC[C@H](N[C@H](C)c2ccc(Cl)cn2)C1 ZINC000414334104 276231145 /nfs/dbraw/zinc/23/11/45/276231145.db2.gz FZTWPCOTOZXQSN-PWSUYJOCSA-N 0 3 253.777 2.480 10 0 CEAEHN CN(C)C[C@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000177713591 276806702 /nfs/dbraw/zinc/80/67/02/276806702.db2.gz IUTUQVPCFWNIOK-GOEBONIOSA-N 0 3 278.371 2.075 10 0 CEAEHN CN1CCO[C@H](CN[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000180500206 277128058 /nfs/dbraw/zinc/12/80/58/277128058.db2.gz JWHLPNNQOMCATB-TZMCWYRMSA-N 0 3 296.411 2.283 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@@H](c2ccncc2)[C@H](N)C1 ZINC000096032664 277191224 /nfs/dbraw/zinc/19/12/24/277191224.db2.gz AGHANFLAWQUQJX-QWHCGFSZSA-N 0 3 277.368 2.133 10 0 CEAEHN CO[C@@H]1COC[C@H]1N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000333046089 277303692 /nfs/dbraw/zinc/30/36/92/277303692.db2.gz FXSBTCUJHZQSAX-YNEHKIRRSA-N 0 3 284.400 2.064 10 0 CEAEHN CC(C)(C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1F ZINC000171587065 278264273 /nfs/dbraw/zinc/26/42/73/278264273.db2.gz HWPBZDYJOJEKAX-CYBMUJFWSA-N 0 3 290.382 2.410 10 0 CEAEHN C[C@H](c1cccc(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000247169289 278310475 /nfs/dbraw/zinc/31/04/75/278310475.db2.gz QYNNFFSGPCFEII-CZUORRHYSA-N 0 3 278.371 2.293 10 0 CEAEHN C[C@@H](NCC1C[C@@H](C)O[C@H](C)C1)c1nccn1C ZINC000343536130 278341877 /nfs/dbraw/zinc/34/18/77/278341877.db2.gz PMQDJKIRLBTGGS-IJLUTSLNSA-N 0 3 251.374 2.274 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1c[nH]nc1C(C)C ZINC000189490857 278974629 /nfs/dbraw/zinc/97/46/29/278974629.db2.gz OKGUCPJSLJLLLA-LBPRGKRZSA-N 0 3 280.416 2.239 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CCc2c1cccc2F ZINC000282048631 279027088 /nfs/dbraw/zinc/02/70/88/279027088.db2.gz AYCGAHJMUKLUJR-QCZZGDTMSA-N 0 3 262.328 2.070 10 0 CEAEHN C[C@H](N[C@H]1CC(=O)N(C)c2ccccc21)[C@H]1CCOC1 ZINC000252709375 279530842 /nfs/dbraw/zinc/53/08/42/279530842.db2.gz CTCOXOUAGGCWEE-OBJOEFQTSA-N 0 3 274.364 2.109 10 0 CEAEHN CCCC[C@H](N[C@H]1CN(C(C)C)C[C@@H]1C)C(=O)OC ZINC000135245660 280040194 /nfs/dbraw/zinc/04/01/94/280040194.db2.gz MPYGOUJOSWTRTQ-IHRRRGAJSA-N 0 3 270.417 2.037 10 0 CEAEHN CCC[C@H](C(=O)NCCO[C@@H]1CCCC[C@@H]1C)N(C)C ZINC000136126927 280058172 /nfs/dbraw/zinc/05/81/72/280058172.db2.gz BOLUEAIXIUJQCW-RRFJBIMHSA-N 0 3 284.444 2.428 10 0 CEAEHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@H](C)[C@H]1CCCO1 ZINC000248859002 280245533 /nfs/dbraw/zinc/24/55/33/280245533.db2.gz RFXBYHVDFXLZDR-LXTVHRRPSA-N 0 3 282.428 2.323 10 0 CEAEHN CC[C@H](NC(=O)N[C@H](CC(C)C)CN(C)C)[C@@H]1CCCO1 ZINC000245900057 280264742 /nfs/dbraw/zinc/26/47/42/280264742.db2.gz LAGLIBUCNGOWAV-ILXRZTDVSA-N 0 3 299.459 2.220 10 0 CEAEHN C[C@@H]1CCC[C@H](CNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246695909 280306466 /nfs/dbraw/zinc/30/64/66/280306466.db2.gz AOZJSTAAIVNLAL-ILXRZTDVSA-N 0 3 279.428 2.302 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@H]2CSC)C1 ZINC000247350073 280327523 /nfs/dbraw/zinc/32/75/23/280327523.db2.gz YAYWEBRIPBMKAC-OLZOCXBDSA-N 0 3 285.457 2.008 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000247516610 280332562 /nfs/dbraw/zinc/33/25/62/280332562.db2.gz YUDAQOPUCHOVCQ-GXTWGEPZSA-N 0 3 252.402 2.412 10 0 CEAEHN COc1ccc(CCN2CCN3CCCC[C@H]3C2)cc1 ZINC000248370836 280344883 /nfs/dbraw/zinc/34/48/83/280344883.db2.gz YAACHKOJCCZHSM-INIZCTEOSA-N 0 3 274.408 2.408 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC[C@H]1CCCO1 ZINC000249494032 280399956 /nfs/dbraw/zinc/39/99/56/280399956.db2.gz VUFWEGNCMPWBLH-XGUBFFRZSA-N 0 3 281.396 2.362 10 0 CEAEHN CCC[C@@H](C(=O)N(C)CCc1ccccc1OC)N(C)C ZINC000152589924 289093463 /nfs/dbraw/zinc/09/34/63/289093463.db2.gz MTNSSICDNQUSSX-HNNXBMFYSA-N 0 3 292.423 2.426 10 0 CEAEHN COc1cc([C@@H](C)NC[C@@H](C)N2CCOCC2)ccc1F ZINC000152726355 289095972 /nfs/dbraw/zinc/09/59/72/289095972.db2.gz VLTUPQKRMHIMQC-CHWSQXEVSA-N 0 3 296.386 2.206 10 0 CEAEHN CCc1ncc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000155373594 289172899 /nfs/dbraw/zinc/17/28/99/289172899.db2.gz SCMVMKQSSPMRPA-WDEREUQCSA-N 0 3 281.425 2.164 10 0 CEAEHN CCC[C@H](C(=O)NCC(CC)(CC)CCO)N(C)C ZINC000155699552 289180962 /nfs/dbraw/zinc/18/09/62/289180962.db2.gz IQUSDJXBZSRIGQ-CYBMUJFWSA-N 0 3 272.433 2.022 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C\c2cnc(C)s2)C1 ZINC000254992730 289256806 /nfs/dbraw/zinc/25/68/06/289256806.db2.gz VAZPZDLUZQMTQG-DGMVEKRQSA-N 0 3 279.409 2.065 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCC23CCCC3)C1 ZINC000336123190 289383523 /nfs/dbraw/zinc/38/35/23/289383523.db2.gz RPPOJLWVZSICOQ-QWHCGFSZSA-N 0 3 265.401 2.055 10 0 CEAEHN Cc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1F ZINC000171069950 297474131 /nfs/dbraw/zinc/47/41/31/297474131.db2.gz PTYNQOHFJKYGSD-GFCCVEGCSA-N 0 3 265.332 2.302 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000191366332 297567013 /nfs/dbraw/zinc/56/70/13/297567013.db2.gz JCSQNDOPBWWWLN-BPUTZDHNSA-N 0 3 290.407 2.221 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000173330059 528966058 /nfs/dbraw/zinc/96/60/58/528966058.db2.gz DUCLCKTWUQWNOR-FRRDWIJNSA-N 0 3 255.406 2.155 10 0 CEAEHN CC(C)CN(CCN(C)C)Cc1cc(CNC(C)C)no1 ZINC000052503340 519716827 /nfs/dbraw/zinc/71/68/27/519716827.db2.gz SRSUASDWPUHOHD-UHFFFAOYSA-N 0 3 296.459 2.192 10 0 CEAEHN CC(C)[C@H](CN(C)C)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601167 519814061 /nfs/dbraw/zinc/81/40/61/519814061.db2.gz FBRHDKXILJQAMG-GUTXKFCHSA-N 0 3 252.402 2.159 10 0 CEAEHN CCCC1CCN(CC[C@@](C)(NC)C(=O)OC)CC1 ZINC000050905731 519901412 /nfs/dbraw/zinc/90/14/12/519901412.db2.gz SZEIQERIMRPRLJ-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNCc1cc(CN2CCOC[C@@H]2CC)oc1C ZINC000052481442 519990300 /nfs/dbraw/zinc/99/03/00/519990300.db2.gz ALPIGCHCTDEPCF-AWEZNQCLSA-N 0 3 266.385 2.308 10 0 CEAEHN CCNCc1cc(Cl)ccc1O[C@@H](CC)C(N)=O ZINC000061675736 519990313 /nfs/dbraw/zinc/99/03/13/519990313.db2.gz ZKYXSIWMRBZSQQ-NSHDSACASA-N 0 3 270.760 2.092 10 0 CEAEHN CCCN[C@@H](c1ccccc1)[C@H](C)S(C)(=O)=O ZINC000054930506 520017161 /nfs/dbraw/zinc/01/71/61/520017161.db2.gz ILUQKVBKOSXEIR-WCQYABFASA-N 0 3 255.383 2.160 10 0 CEAEHN CCCN[C@@H](c1ccc(F)c(F)c1)[C@H]1COCCO1 ZINC000055300597 520018244 /nfs/dbraw/zinc/01/82/44/520018244.db2.gz RUQLCXVNCZJWJE-KGLIPLIRSA-N 0 3 271.307 2.421 10 0 CEAEHN CCCN[C@@](COC1CCCCCC1)(C(N)=O)C1CC1 ZINC000069194441 520055053 /nfs/dbraw/zinc/05/50/53/520055053.db2.gz RAXMHGHZJCBMFR-MRXNPFEDSA-N 0 3 282.428 2.360 10 0 CEAEHN CCCN[C@H](C)c1ccc(F)cc1OCCC(=O)NC ZINC000062747293 520063132 /nfs/dbraw/zinc/06/31/32/520063132.db2.gz JTESMZOYMQTJRK-LLVKDONJSA-N 0 3 282.359 2.401 10 0 CEAEHN CCCO[C@@H]1CCCN(Cc2ccoc2CN)C1 ZINC000052371577 520272859 /nfs/dbraw/zinc/27/28/59/520272859.db2.gz AQPPEUATHFDVKL-CYBMUJFWSA-N 0 3 252.358 2.129 10 0 CEAEHN CCCCN(C)C[C@](NC(C)C)(C(=O)OC)C1CC1 ZINC000069088917 520418746 /nfs/dbraw/zinc/41/87/46/520418746.db2.gz XXZBBKKHKMTIIK-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCOC(=O)C[C@@]1(N2CCOCC2)CC[C@@H](C)C[C@@H]1C ZINC000068633912 520860957 /nfs/dbraw/zinc/86/09/57/520860957.db2.gz HNVYSZJPBMCNBC-YCPHGPKFSA-N 0 3 283.412 2.467 10 0 CEAEHN CCOC1CCN(Cc2cc(CN)oc2C)CC1 ZINC000052484031 521655605 /nfs/dbraw/zinc/65/56/05/521655605.db2.gz YDZQHYLTRCBQNS-UHFFFAOYSA-N 0 3 252.358 2.048 10 0 CEAEHN CN[C@@H](C)c1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053758 522329886 /nfs/dbraw/zinc/32/98/86/522329886.db2.gz JMWZKWAOXVFPLT-ONGXEEELSA-N 0 3 273.760 2.007 10 0 CEAEHN CN[C@@H](C)c1cnc(N2CCN(CC(C)C)CC2)s1 ZINC000055076364 522338152 /nfs/dbraw/zinc/33/81/52/522338152.db2.gz HORLLSIXTVKUEQ-LBPRGKRZSA-N 0 3 282.457 2.202 10 0 CEAEHN CC[C@H]([NH3+])[C@]([O-])(c1cccc(F)c1)C(F)(F)F ZINC000062784513 522345379 /nfs/dbraw/zinc/34/53/79/522345379.db2.gz XVDNDHJYBYVQNT-VHSXEESVSA-N 0 3 251.223 2.313 10 0 CEAEHN CCCOc1ccc([C@H](NC)[C@@H]2CN(CC)CCO2)cc1 ZINC000093914397 517590994 /nfs/dbraw/zinc/59/09/94/517590994.db2.gz LAIPGIMQZOONMM-IRXDYDNUSA-N 0 3 292.423 2.457 10 0 CEAEHN COc1cccc(S(=O)(=O)[C@@H]2CCCCC[C@H]2N)c1 ZINC000081923471 518167456 /nfs/dbraw/zinc/16/74/56/518167456.db2.gz WCQRILHSBBVXFD-ZIAGYGMSSA-N 0 3 283.393 2.129 10 0 CEAEHN C[C@H]1CN(c2nc3ccccn3c2CN)C[C@H](C)S1 ZINC000070384560 518184717 /nfs/dbraw/zinc/18/47/17/518184717.db2.gz LHUBMHGHCYMXAB-QWRGUYRKSA-N 0 3 276.409 2.123 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C/c1cccc(O)c1 ZINC000183488575 519335914 /nfs/dbraw/zinc/33/59/14/519335914.db2.gz BGJHUOFSFBPXCG-XVJNWHFHSA-N 0 3 290.407 2.498 10 0 CEAEHN CC(C)CCOCCn1cc(CNC(C)C)cn1 ZINC000054719756 519669232 /nfs/dbraw/zinc/66/92/32/519669232.db2.gz YFQOGUYURSGHDF-UHFFFAOYSA-N 0 3 253.390 2.444 10 0 CEAEHN CC(C)N1CCN([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024733 519684006 /nfs/dbraw/zinc/68/40/06/519684006.db2.gz KEFGVVDNCVXIKL-OAHLLOKOSA-N 0 3 291.464 2.430 10 0 CEAEHN CC(C)CN(C(=O)[C@H](CN)c1ccccc1)C1CC1 ZINC000061612004 519706800 /nfs/dbraw/zinc/70/68/00/519706800.db2.gz KCFFUFPWPIFPOA-OAHLLOKOSA-N 0 3 260.381 2.376 10 0 CEAEHN CC(C)N[C@@H](CCSc1ccc(F)c(F)c1)C(N)=O ZINC000062596903 519734579 /nfs/dbraw/zinc/73/45/79/519734579.db2.gz DEUDAYSJQPMJIV-LBPRGKRZSA-N 0 3 288.363 2.299 10 0 CEAEHN CC(C)N[C@@](C)(C[C@H](C)Oc1cccc(F)c1)C(N)=O ZINC000068656701 519737096 /nfs/dbraw/zinc/73/70/96/519737096.db2.gz LIOPCUWXCVCMPH-NHYWBVRUSA-N 0 3 282.359 2.225 10 0 CEAEHN CC(C)N[C@@](CSC1CCCC1)(C(N)=O)C1CC1 ZINC000069190588 519737721 /nfs/dbraw/zinc/73/77/21/519737721.db2.gz JLBOBUZMWDGLNC-CQSZACIVSA-N 0 3 270.442 2.294 10 0 CEAEHN CC(C)N[C@H](CCSc1ccccc1)C(N)=O ZINC000062597936 519738591 /nfs/dbraw/zinc/73/85/91/519738591.db2.gz NUUPPKIHLOOCLI-GFCCVEGCSA-N 0 3 252.383 2.021 10 0 CEAEHN CC(C)[NH2+][C@](C)(C[C@H](C)N1CCCCC1)C(=O)[O-] ZINC000068620388 519740259 /nfs/dbraw/zinc/74/02/59/519740259.db2.gz YIKAGFAQDAOBAO-GXTWGEPZSA-N 0 3 256.390 2.092 10 0 CEAEHN CC(C)CN[C@]1(C(N)=O)CCCc2sccc21 ZINC000061329871 519749735 /nfs/dbraw/zinc/74/97/35/519749735.db2.gz IRVKIJTZDLHGAC-CYBMUJFWSA-N 0 3 252.383 2.011 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cnc(N)c(Cl)c1 ZINC000050707875 519775807 /nfs/dbraw/zinc/77/58/07/519775807.db2.gz JAOBQHNCTGDUMT-NSHDSACASA-N 0 3 298.818 2.023 10 0 CEAEHN CCC1CCN(Cc2csc(CNC)n2)CC1 ZINC000052346875 519859792 /nfs/dbraw/zinc/85/97/92/519859792.db2.gz ZEQXOSLLSNQLOB-UHFFFAOYSA-N 0 3 253.415 2.485 10 0 CEAEHN CCCN1CCN([C@H](CN)c2cc3ccccc3o2)CC1 ZINC000068810775 519859820 /nfs/dbraw/zinc/85/98/20/519859820.db2.gz WIVRCMWVKAYTCM-OAHLLOKOSA-N 0 3 287.407 2.460 10 0 CEAEHN CCCNC(=O)COc1cc(F)ccc1[C@@H](C)NC ZINC000062746614 519881336 /nfs/dbraw/zinc/88/13/36/519881336.db2.gz AZVSLOFAVSUXFU-SNVBAGLBSA-N 0 3 268.332 2.011 10 0 CEAEHN CCCC1CCN(C[C@](NCC)(C(=O)OC)C2CC2)CC1 ZINC000069231654 519902390 /nfs/dbraw/zinc/90/23/90/519902390.db2.gz DPYHAHNTLAASSZ-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000061291818 519907552 /nfs/dbraw/zinc/90/75/52/519907552.db2.gz XLEJWADALPTBSS-UHFFFAOYSA-N 0 3 278.352 2.108 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1COC ZINC000061290646 519908272 /nfs/dbraw/zinc/90/82/72/519908272.db2.gz MMHCPEUDGNCYSM-UHFFFAOYSA-N 0 3 250.342 2.160 10 0 CEAEHN CCCNCc1cccc(OC)c1OCCCC(=O)NC ZINC000068816423 519954789 /nfs/dbraw/zinc/95/47/89/519954789.db2.gz ZRTIDVAUWASFAA-UHFFFAOYSA-N 0 3 294.395 2.100 10 0 CEAEHN CCCNCc1nc(CN(CCC)CCN(C)C)cs1 ZINC000052544091 519965904 /nfs/dbraw/zinc/96/59/04/519965904.db2.gz JFJRSTPMKIAQKQ-UHFFFAOYSA-N 0 3 298.500 2.416 10 0 CEAEHN CCNCc1c(C)nn(C)c1-n1ccc(C(C)C)n1 ZINC000052884884 519983426 /nfs/dbraw/zinc/98/34/26/519983426.db2.gz JKWOOLTXJAXMRR-UHFFFAOYSA-N 0 3 261.373 2.147 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)c(OC)c1)[C@@H]1COCCO1 ZINC000055300392 520018423 /nfs/dbraw/zinc/01/84/23/520018423.db2.gz XYMNCLFEAHWCPY-HOTGVXAUSA-N 0 3 295.379 2.160 10 0 CEAEHN CCCN[C@@H]1COc2cc(OC[C@@H](O)CC)ccc21 ZINC000062805119 520026447 /nfs/dbraw/zinc/02/64/47/520026447.db2.gz VHZOSWDHGJIHCZ-SMDDNHRTSA-N 0 3 265.353 2.269 10 0 CEAEHN CCCN[C@@](CN1CCCCC1)(C(=O)OCC)C1CC1 ZINC000069095483 520051811 /nfs/dbraw/zinc/05/18/11/520051811.db2.gz OPNAQAVKFZDEAS-MRXNPFEDSA-N 0 3 282.428 2.184 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@@H](CC)C(N)=O ZINC000062746898 520076963 /nfs/dbraw/zinc/07/69/63/520076963.db2.gz LCYXNNUXXJMGDT-CABZTGNLSA-N 0 3 268.332 2.139 10 0 CEAEHN CCCN[C@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547868 520078334 /nfs/dbraw/zinc/07/83/34/520078334.db2.gz SHTRHQXZDPZLES-OAHLLOKOSA-N 0 3 278.396 2.432 10 0 CEAEHN CCN[C@@H](CC)[C@H](C)S(=O)(=O)c1ccccc1 ZINC000061702872 520081844 /nfs/dbraw/zinc/08/18/44/520081844.db2.gz AOOCPHTWYARREL-AAEUAGOBSA-N 0 3 255.383 2.237 10 0 CEAEHN CCN[C@@H](CCSc1ccc2c(c1)CCC2)C(N)=O ZINC000062600463 520094167 /nfs/dbraw/zinc/09/41/67/520094167.db2.gz PMFWVLQTFFBKIB-AWEZNQCLSA-N 0 3 278.421 2.121 10 0 CEAEHN CCN[C@@H](CCOc1ccccc1C(C)(C)C)C(N)=O ZINC000062547517 520095124 /nfs/dbraw/zinc/09/51/24/520095124.db2.gz CYCIUPDGQGTZNS-ZDUSSCGKSA-N 0 3 278.396 2.216 10 0 CEAEHN CCOC[C@@H](O)COc1ccc(C)cc1[C@@H](C)NC ZINC000069275525 520105195 /nfs/dbraw/zinc/10/51/95/520105195.db2.gz FULICNAXKWIIHK-CHWSQXEVSA-N 0 3 267.369 2.052 10 0 CEAEHN CCN[C@@H](c1ccc(CC)s1)[C@@H]1COCCO1 ZINC000055299853 520110272 /nfs/dbraw/zinc/11/02/72/520110272.db2.gz UWYANTSKBGAFJP-WCQYABFASA-N 0 3 255.383 2.377 10 0 CEAEHN CCN[C@@H](c1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000062806657 520111841 /nfs/dbraw/zinc/11/18/41/520111841.db2.gz CQBWMBNTXCDTIS-RDJZCZTQSA-N 0 3 288.391 2.425 10 0 CEAEHN CCCN[C@](CN(CC)CCC)(C(=O)OCC)C1CC1 ZINC000069098042 520119520 /nfs/dbraw/zinc/11/95/20/520119520.db2.gz COOMGSNOQBKWKY-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@H]1COc2cc(OCCn3cccn3)ccc21 ZINC000062804593 520123777 /nfs/dbraw/zinc/12/37/77/520123777.db2.gz JGAHJXMHWZRZOQ-CQSZACIVSA-N 0 3 273.336 2.005 10 0 CEAEHN CCN[C@@H]1c2ccccc2CCC[C@H]1S(C)(=O)=O ZINC000054930336 520126991 /nfs/dbraw/zinc/12/69/91/520126991.db2.gz QLMIXNYIYVIREE-ZIAGYGMSSA-N 0 3 267.394 2.087 10 0 CEAEHN CCN[C@@](CN1CCCC[C@@H]1C)(C(=O)OCC)C1CC1 ZINC000069093856 520154007 /nfs/dbraw/zinc/15/40/07/520154007.db2.gz SBFOHRNJTQOFSV-XJKSGUPXSA-N 0 3 282.428 2.182 10 0 CEAEHN CCN[C@H](C)c1ccc(F)cc1OCCC(=O)N(C)C ZINC000062746689 520177926 /nfs/dbraw/zinc/17/79/26/520177926.db2.gz YXISKRUGMGDUOO-LLVKDONJSA-N 0 3 282.359 2.353 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCOC[C@@H]2CC)s1 ZINC000054904719 520181275 /nfs/dbraw/zinc/18/12/75/520181275.db2.gz YVJCTKOYMMFQQV-MNOVXSKESA-N 0 3 269.414 2.429 10 0 CEAEHN CCCNc1ncc(C(=O)NC[C@@H](C)N(C)C)cc1Cl ZINC000050780022 520189410 /nfs/dbraw/zinc/18/94/10/520189410.db2.gz LELJSFABYQCJIP-SNVBAGLBSA-N 0 3 298.818 2.237 10 0 CEAEHN CCN[C@H](CCSc1ccccc1Cl)C(N)=O ZINC000062598709 520194795 /nfs/dbraw/zinc/19/47/95/520194795.db2.gz AUBPWXOHYXYABY-SNVBAGLBSA-N 0 3 272.801 2.286 10 0 CEAEHN CCN[C@H](Cn1ncccc1=O)c1cc2ccccc2o1 ZINC000061402149 520205313 /nfs/dbraw/zinc/20/53/13/520205313.db2.gz CLNXQHVETXYDQC-CYBMUJFWSA-N 0 3 283.331 2.340 10 0 CEAEHN CCN[C@](C)(CN1CCCC(C)(C)C1)C(=O)OCC ZINC000069516635 520231717 /nfs/dbraw/zinc/23/17/17/520231717.db2.gz PSEIORANSMDSAH-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCO[C@@H]1CCCN(c2ncc(CNC)s2)C1 ZINC000054909523 520277872 /nfs/dbraw/zinc/27/78/72/520277872.db2.gz HJJMTJRGGQUFQP-LLVKDONJSA-N 0 3 269.414 2.258 10 0 CEAEHN CCN(C1CCCCC1)S(=O)(=O)C[C@@H]1CCCCN1 ZINC000049630808 520294983 /nfs/dbraw/zinc/29/49/83/520294983.db2.gz AWZSCORYNPCQGW-ZDUSSCGKSA-N 0 3 288.457 2.113 10 0 CEAEHN CCNc1ccccc1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000050777722 520338981 /nfs/dbraw/zinc/33/89/81/520338981.db2.gz KNQPVJHRXUHQRS-CYBMUJFWSA-N 0 3 275.396 2.333 10 0 CEAEHN CCCOc1ccc(CN)c(OC[C@H](O)C(F)(F)F)c1 ZINC000068876656 520343753 /nfs/dbraw/zinc/34/37/53/520343753.db2.gz OXNJORUGSALOCA-LBPRGKRZSA-N 0 3 293.285 2.236 10 0 CEAEHN CCCOc1ccc([C@](O)(CN)C(F)(F)F)cc1 ZINC000062784634 520435665 /nfs/dbraw/zinc/43/56/65/520435665.db2.gz UQIUKLZBQITTRV-LLVKDONJSA-N 0 3 263.259 2.184 10 0 CEAEHN CCCOc1cccc(CCNC(=O)[C@@H](N)C(C)C)c1 ZINC000182642274 520451903 /nfs/dbraw/zinc/45/19/03/520451903.db2.gz YVGSXWMCECLWHE-HNNXBMFYSA-N 0 3 278.396 2.117 10 0 CEAEHN CCCOc1cccc(C[C@H](CN)C(=O)N(CC)CC)c1 ZINC000052920866 520457152 /nfs/dbraw/zinc/45/71/52/520457152.db2.gz WRGVXGURXNPNKW-OAHLLOKOSA-N 0 3 292.423 2.461 10 0 CEAEHN CC1(C)COCCN1c1nc2c(s1)[C@@H](N)CCC2 ZINC000054898417 520507612 /nfs/dbraw/zinc/50/76/12/520507612.db2.gz WEHUDGYUPIUKGN-VIFPVBQESA-N 0 3 267.398 2.094 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)N ZINC000062745770 520522197 /nfs/dbraw/zinc/52/21/97/520522197.db2.gz HLFSLSCXRQYVEJ-WDEREUQCSA-N 0 3 282.359 2.481 10 0 CEAEHN CCCCOCCOc1c(CN)cccc1OC ZINC000049261542 520792731 /nfs/dbraw/zinc/79/27/31/520792731.db2.gz OKQKFOILMIAENO-UHFFFAOYSA-N 0 3 253.342 2.349 10 0 CEAEHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1N ZINC000069237155 520963986 /nfs/dbraw/zinc/96/39/86/520963986.db2.gz DBWAVBOZZRIOQR-NSHDSACASA-N 0 3 291.395 2.336 10 0 CEAEHN CCN(CCOC)Cc1csc(CNCC(C)C)n1 ZINC000052542605 521137820 /nfs/dbraw/zinc/13/78/20/521137820.db2.gz VKSUTOFCIGEHLG-UHFFFAOYSA-N 0 3 285.457 2.357 10 0 CEAEHN CCOC(=O)[C@@](CN(C)C[C@@H]1C[C@@H]1C)(NC1CC1)C1CC1 ZINC000069233521 521165463 /nfs/dbraw/zinc/16/54/63/521165463.db2.gz WVVNDHULHUMPBU-DCGLDWPTSA-N 0 3 294.439 2.038 10 0 CEAEHN CCC[C@H](O)[C@@H](CC)N1CCN([C@@H](C)CC)CC1 ZINC000055069594 521192578 /nfs/dbraw/zinc/19/25/78/521192578.db2.gz GYQGKPKBUFRFNE-ZNMIVQPWSA-N 0 3 256.434 2.342 10 0 CEAEHN CCOC(=O)[C@](CN(C)[C@@H](C)CC)(NC(C)C)C1CC1 ZINC000069096772 521340468 /nfs/dbraw/zinc/34/04/68/521340468.db2.gz SQPRDZVTPUVQMY-XJKSGUPXSA-N 0 3 284.444 2.427 10 0 CEAEHN CCOc1cccc(CNC(C)C)c1O[C@H](CC)C(N)=O ZINC000061675791 521358277 /nfs/dbraw/zinc/35/82/77/521358277.db2.gz OUJAVFCBWKUAKB-CYBMUJFWSA-N 0 3 294.395 2.226 10 0 CEAEHN CCC(C)(C)OCCn1cc(CNCC(C)C)nn1 ZINC000052630559 521359774 /nfs/dbraw/zinc/35/97/74/521359774.db2.gz HMXASQZZPKFXDM-UHFFFAOYSA-N 0 3 268.405 2.229 10 0 CEAEHN CCN1C(=O)C[C@@H](N)[C@H]1c1cccc(OC(C)C)c1 ZINC000070293183 521523045 /nfs/dbraw/zinc/52/30/45/521523045.db2.gz REHHRLRVCKTFRO-UKRRQHHQSA-N 0 3 262.353 2.094 10 0 CEAEHN CCCc1nc(N(C)CC)sc1CNCCOC ZINC000054996315 521529152 /nfs/dbraw/zinc/52/91/52/521529152.db2.gz XLBYCFWPKNBMKM-UHFFFAOYSA-N 0 3 271.430 2.288 10 0 CEAEHN CCOc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000183173213 521529347 /nfs/dbraw/zinc/52/93/47/521529347.db2.gz XOZKSYRFNABJGJ-JSGCOSHPSA-N 0 3 292.379 2.181 10 0 CEAEHN CCCc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1CN ZINC000054995441 521534009 /nfs/dbraw/zinc/53/40/09/521534009.db2.gz PLFDIXGNYJVCFR-AOOOYVTPSA-N 0 3 269.414 2.168 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000052593082 521619189 /nfs/dbraw/zinc/61/91/89/521619189.db2.gz RFJLPPOVQSHKPT-OAHLLOKOSA-N 0 3 293.386 2.451 10 0 CEAEHN CCN1CCC[C@H](Nc2cc(C)nc(Cl)n2)C1 ZINC000052814624 521649791 /nfs/dbraw/zinc/64/97/91/521649791.db2.gz FECSHVMVJXJJDZ-JTQLQIEISA-N 0 3 254.765 2.335 10 0 CEAEHN CCCn1ccnc(Oc2cccc(F)c2CN)c1=O ZINC000061770687 521661896 /nfs/dbraw/zinc/66/18/96/521661896.db2.gz RHIUTEAOWOEAEM-UHFFFAOYSA-N 0 3 277.299 2.043 10 0 CEAEHN CCCN(Cc1cccnc1CN)CC(F)(F)F ZINC000061656868 521690459 /nfs/dbraw/zinc/69/04/59/521690459.db2.gz IIYQUGIFJGGKSP-UHFFFAOYSA-N 0 3 261.291 2.315 10 0 CEAEHN CCCN1C(=O)C[C@@H](N)[C@H]1c1ccccc1Br ZINC000070293363 521699590 /nfs/dbraw/zinc/69/95/90/521699590.db2.gz BHMIUHOTHGMBNR-DGCLKSJQSA-N 0 3 297.196 2.460 10 0 CEAEHN CCNC(=O)COc1cc(OC)ccc1CNC(C)(C)C ZINC000062733081 521738487 /nfs/dbraw/zinc/73/84/87/521738487.db2.gz BGSBKTHEQJXKSU-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000052790713 521822805 /nfs/dbraw/zinc/82/28/05/521822805.db2.gz HVMDICVZCOKLJQ-DVMIWYLISA-N 0 3 294.439 2.071 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CCC(=O)c1ccc(F)cc1 ZINC000061645760 521837101 /nfs/dbraw/zinc/83/71/01/521837101.db2.gz GTYFPMXLBYQEBN-HNNXBMFYSA-N 0 3 278.371 2.425 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000061318539 521943514 /nfs/dbraw/zinc/94/35/14/521943514.db2.gz AFYTVISBEPIYFP-UHFFFAOYSA-N 0 3 289.379 2.058 10 0 CEAEHN COCC[C@H](N)c1nc(-c2ccc(C)s2)c[nH]1 ZINC000052811204 521951833 /nfs/dbraw/zinc/95/18/33/521951833.db2.gz QGIFXOZWGGDVOE-VIFPVBQESA-N 0 3 251.355 2.483 10 0 CEAEHN CN(C)[C@@H]1CCN(CC(=O)c2ccc(Cl)s2)C1 ZINC000062966616 522052826 /nfs/dbraw/zinc/05/28/26/522052826.db2.gz JLPYCKGOOIXEBU-SECBINFHSA-N 0 3 272.801 2.220 10 0 CEAEHN CNCc1c(C)nn(C)c1-n1cc(-c2ccccc2)cn1 ZINC000054961620 522101047 /nfs/dbraw/zinc/10/10/47/522101047.db2.gz VUMLTSLGDCMQJB-UHFFFAOYSA-N 0 3 281.363 2.301 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2cc(N)ccc2OC)CC1 ZINC000055063384 522126746 /nfs/dbraw/zinc/12/67/46/522126746.db2.gz WSZVYCGGKHBIJR-CYBMUJFWSA-N 0 3 277.412 2.194 10 0 CEAEHN CNCc1ccnc(-c2nccc3ccccc32)n1 ZINC000069316147 522140385 /nfs/dbraw/zinc/14/03/85/522140385.db2.gz VGWLOTNURHKZNS-UHFFFAOYSA-N 0 3 250.305 2.411 10 0 CEAEHN CNCc1ccoc1Cn1ccc(C(F)(F)F)n1 ZINC000052592449 522143676 /nfs/dbraw/zinc/14/36/76/522143676.db2.gz OEAQYFQIUQRAAE-UHFFFAOYSA-N 0 3 259.231 2.263 10 0 CEAEHN CNCc1cnc(N2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000054909099 522148747 /nfs/dbraw/zinc/14/87/47/522148747.db2.gz DCDQCPFUVSCGLI-NWDGAFQWSA-N 0 3 267.398 2.010 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1OCc1cnn(C)c1 ZINC000062746236 522333206 /nfs/dbraw/zinc/33/32/06/522333206.db2.gz RNQIOOMZWPPMDC-JTQLQIEISA-N 0 3 263.316 2.419 10 0 CEAEHN CN[C@@H](CN1CCN(C)C1=O)c1cccc2ccccc21 ZINC000052885679 522354950 /nfs/dbraw/zinc/35/49/50/522354950.db2.gz SCLBZZSYSYRJTJ-INIZCTEOSA-N 0 3 283.375 2.468 10 0 CEAEHN CN[C@@H](Cc1cc(F)cc(F)c1)c1nccn1C ZINC000069473642 522360068 /nfs/dbraw/zinc/36/00/68/522360068.db2.gz BJYKSTOCBJYRPI-LBPRGKRZSA-N 0 3 251.280 2.202 10 0 CEAEHN CN[C@@H](Cn1ncccc1=O)c1cccc(C(F)(F)F)c1 ZINC000061402642 522365565 /nfs/dbraw/zinc/36/55/65/522365565.db2.gz FGZXEWKTNYPXSV-LBPRGKRZSA-N 0 3 297.280 2.223 10 0 CEAEHN CN[C@@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCCCO1 ZINC000050961624 522370179 /nfs/dbraw/zinc/37/01/79/522370179.db2.gz OAQDEJYYJKIYQY-HOCLYGCPSA-N 0 3 274.364 2.035 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)Oc1cccc(C(C)C)c1)C(N)=O ZINC000068655339 522415523 /nfs/dbraw/zinc/41/55/23/522415523.db2.gz ZVSKHCPWVVVPBE-WBMJQRKESA-N 0 3 278.396 2.431 10 0 CEAEHN CN[C@@](C)(C[C@H](C)Oc1cc(C)cc(C)c1C)C(N)=O ZINC000068657195 522418507 /nfs/dbraw/zinc/41/85/07/522418507.db2.gz HRZOCIOHBMYIRL-LRDDRELGSA-N 0 3 278.396 2.233 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCc1cnn(C)c1 ZINC000062746237 522447753 /nfs/dbraw/zinc/44/77/53/522447753.db2.gz RNQIOOMZWPPMDC-SNVBAGLBSA-N 0 3 263.316 2.419 10 0 CEAEHN CN[C@H](Cn1ncccc1=O)c1c(C)cc(C)cc1C ZINC000061402258 522478356 /nfs/dbraw/zinc/47/83/56/522478356.db2.gz JLPBXYQFVAOTSX-CQSZACIVSA-N 0 3 271.364 2.129 10 0 CEAEHN CN[C@H](c1ccnn1C)c1cccc(Br)c1 ZINC000069020763 522485201 /nfs/dbraw/zinc/48/52/01/522485201.db2.gz WDKCYYCEXZSDLH-LBPRGKRZSA-N 0 3 280.169 2.491 10 0 CEAEHN CC[C@H](NC(=O)[C@@H](N)CCSC)c1cccs1 ZINC000049532152 522493465 /nfs/dbraw/zinc/49/34/65/522493465.db2.gz IXJSLAGTDYJYQZ-UWVGGRQHSA-N 0 3 272.439 2.396 10 0 CEAEHN CN[C@H]1CCCc2nc(Cc3csc(C)n3)ncc21 ZINC000055296594 522499568 /nfs/dbraw/zinc/49/95/68/522499568.db2.gz BXXWNZTUJZMGQH-LBPRGKRZSA-N 0 3 274.393 2.429 10 0 CEAEHN CN[C@](C)(C[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632780 522519846 /nfs/dbraw/zinc/51/98/46/522519846.db2.gz RXFPXLDUSIARTC-XNRPHZJLSA-N 0 3 282.428 2.482 10 0 CEAEHN CN[C@](C)(C[C@@H](C)[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632780 522519854 /nfs/dbraw/zinc/51/98/54/522519854.db2.gz RXFPXLDUSIARTC-XNRPHZJLSA-N 0 3 282.428 2.482 10 0 CEAEHN CNc1ccc(C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000050788129 522590150 /nfs/dbraw/zinc/59/01/50/522590150.db2.gz BDMSUCHZPOQQHD-ZDUSSCGKSA-N 0 3 275.396 2.333 10 0 CEAEHN CNc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000050791210 522595002 /nfs/dbraw/zinc/59/50/02/522595002.db2.gz IQCWMGOZKZGHOS-CYBMUJFWSA-N 0 3 275.396 2.333 10 0 CEAEHN CNc1ccc(Cl)c(C(=O)N[C@@H](CN(C)C)C(C)C)n1 ZINC000050779739 522618076 /nfs/dbraw/zinc/61/80/76/522618076.db2.gz TVHIQYIAZRPVTB-NSHDSACASA-N 0 3 298.818 2.093 10 0 CEAEHN CNc1nc2ccccc2cc1CN1CCC[C@@H](CO)C1 ZINC000050791788 522690311 /nfs/dbraw/zinc/69/03/11/522690311.db2.gz OSOPQFQGHSBSOL-CYBMUJFWSA-N 0 3 285.391 2.481 10 0 CEAEHN COC[C@H](O)COc1c2ccccc2ccc1[C@H](C)N ZINC000069053622 522807189 /nfs/dbraw/zinc/80/71/89/522807189.db2.gz PYNCDDSAGIXMLM-AAEUAGOBSA-N 0 3 275.348 2.246 10 0 CEAEHN CC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2CN)C1 ZINC000068602097 523304378 /nfs/dbraw/zinc/30/43/78/523304378.db2.gz RJRMWWIPLWAOLL-OCCSQVGLSA-N 0 3 296.436 2.392 10 0 CEAEHN COCCCNC(=O)[C@@H](C)N[C@H]1CCCc2sccc21 ZINC000061362449 523345980 /nfs/dbraw/zinc/34/59/80/523345980.db2.gz LYCCRWMMNHDYIA-YPMHNXCESA-N 0 3 296.436 2.256 10 0 CEAEHN COCCCOc1ccnc(CNC(C)(C)C)c1 ZINC000051522387 523425558 /nfs/dbraw/zinc/42/55/58/523425558.db2.gz UPNNQFIIXJVCHL-UHFFFAOYSA-N 0 3 252.358 2.385 10 0 CEAEHN CN(Cc1cccs1)Cc1cccnc1C(=N)N ZINC000061657968 523447711 /nfs/dbraw/zinc/44/77/11/523447711.db2.gz QTUKFSJBLICPKC-UHFFFAOYSA-N 0 3 260.366 2.059 10 0 CEAEHN CN(Cc1cnn(C)c1)c1nc(C(C)(C)C)c(CN)s1 ZINC000055001320 523519436 /nfs/dbraw/zinc/51/94/36/523519436.db2.gz PPQFIELHFBTKCX-UHFFFAOYSA-N 0 3 293.440 2.269 10 0 CEAEHN CN(Cc1cscn1)Cc1nc(NN)ccc1Cl ZINC000061631179 523540713 /nfs/dbraw/zinc/54/07/13/523540713.db2.gz YEWBJMXMLSGTGD-UHFFFAOYSA-N 0 3 283.788 2.109 10 0 CEAEHN CCn1ccnc1[C@H](Cc1ccccc1OC)NC ZINC000069497897 523555517 /nfs/dbraw/zinc/55/55/17/523555517.db2.gz PBODURYFTKTRFI-ZDUSSCGKSA-N 0 3 259.353 2.415 10 0 CEAEHN COCCN(C)CCNC1=NC2(CS1)CCC(C)CC2 ZINC000061380051 523600685 /nfs/dbraw/zinc/60/06/85/523600685.db2.gz XVBGYZACRJMBFE-UHFFFAOYSA-N 0 3 299.484 2.206 10 0 CEAEHN COCCN(Cc1occc1CNC1CC1)[C@@H](C)COC ZINC000052572320 523778128 /nfs/dbraw/zinc/77/81/28/523778128.db2.gz VYCLHAQTWVPFEB-ZDUSSCGKSA-N 0 3 296.411 2.015 10 0 CEAEHN COCCN(c1cccc(CNC(C)C)n1)[C@H](C)COC ZINC000051519254 523784481 /nfs/dbraw/zinc/78/44/81/523784481.db2.gz ZKHOBWYBWUSQQW-CQSZACIVSA-N 0 3 295.427 2.067 10 0 CEAEHN COC(=O)[C@@](C)(C[C@H](C)N1CCCCC1)NC(C)C ZINC000068620310 523817253 /nfs/dbraw/zinc/81/72/53/523817253.db2.gz SFTAQPRJJARDDM-DZGCQCFKSA-N 0 3 270.417 2.181 10 0 CEAEHN COc1ccc(C=O)cc1CN1CCC[C@@H]1CN(C)C ZINC000061645695 523885815 /nfs/dbraw/zinc/88/58/15/523885815.db2.gz YHEBHHZZCKPLHU-OAHLLOKOSA-N 0 3 276.380 2.034 10 0 CEAEHN COCCNC(=O)CCNCc1ccc(C(C)C)cc1 ZINC000067221024 523890124 /nfs/dbraw/zinc/89/01/24/523890124.db2.gz QTOUTSNMZJYEDZ-UHFFFAOYSA-N 0 3 278.396 2.052 10 0 CEAEHN COCCNCc1c(C)nc(CC(C)(C)C)nc1C ZINC000068849299 523945643 /nfs/dbraw/zinc/94/56/43/523945643.db2.gz BIVLOWFQXJGHAK-UHFFFAOYSA-N 0 3 265.401 2.418 10 0 CEAEHN COCCNCc1cc(C)nc(-c2ccc(C)cc2)n1 ZINC000054832612 523948981 /nfs/dbraw/zinc/94/89/81/523948981.db2.gz CIFZTODIEUWNRY-UHFFFAOYSA-N 0 3 271.364 2.496 10 0 CEAEHN COCCNCc1cc(F)ccc1-n1cnc(C)c1C ZINC000062738897 523950603 /nfs/dbraw/zinc/95/06/03/523950603.db2.gz LRRDERLFDXNBHM-UHFFFAOYSA-N 0 3 277.343 2.364 10 0 CEAEHN CN1CC[C@@H](Nc2ccc(Cl)cc2C(N)=S)C1 ZINC000052858613 523968744 /nfs/dbraw/zinc/96/87/44/523968744.db2.gz JZWAOQQJZGVATM-SECBINFHSA-N 0 3 269.801 2.090 10 0 CEAEHN Cc1ccc(C)c([C@@H](N)Cn2ccc(C)cc2=O)c1 ZINC000061909175 524203753 /nfs/dbraw/zinc/20/37/53/524203753.db2.gz CICDCPSYBOWMGS-HNNXBMFYSA-N 0 3 256.349 2.474 10 0 CEAEHN C[C@H](CN[C@@H](C)c1ccc(Br)cc1)C(N)=O ZINC000049525853 524496500 /nfs/dbraw/zinc/49/65/00/524496500.db2.gz BPCPXKPKJSLVIJ-BDAKNGLRSA-N 0 3 285.185 2.221 10 0 CEAEHN C[C@@H](CN1CCCCC1)NC(=O)Nc1cccc(N)c1 ZINC000049502606 524604144 /nfs/dbraw/zinc/60/41/44/524604144.db2.gz CVTWCEDDFOSRAW-LBPRGKRZSA-N 0 3 276.384 2.265 10 0 CEAEHN C[C@H](C[C@@](C)(NC1CC1)C(N)=O)Oc1ccc(F)cc1F ZINC000068654790 524632827 /nfs/dbraw/zinc/63/28/27/524632827.db2.gz BSJYHGITVANYAG-RFAUZJTJSA-N 0 3 298.333 2.118 10 0 CEAEHN C[C@H]1CN(Cc2ncccn2)[C@H](c2ccccc2)CN1 ZINC000068698998 524651427 /nfs/dbraw/zinc/65/14/27/524651427.db2.gz JMOYQMCFDCEMGL-ZFWWWQNUSA-N 0 3 268.364 2.012 10 0 CEAEHN C[C@H]1COCCN1Cc1oc2ccccc2c1CN ZINC000052475967 524725202 /nfs/dbraw/zinc/72/52/02/524725202.db2.gz MGRSZJAKMBZBAQ-NSHDSACASA-N 0 3 260.337 2.112 10 0 CEAEHN COc1ccccc1[C@H]1[C@@H](N)CCC(=O)N1CC(C)C ZINC000062212540 524818355 /nfs/dbraw/zinc/81/83/55/524818355.db2.gz GDLLGNSGVXGEDX-BBRMVZONSA-N 0 3 276.380 2.342 10 0 CEAEHN Cc1cccc([C@H](N)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000051362001 524880959 /nfs/dbraw/zinc/88/09/59/524880959.db2.gz XYELDBWDMRHUAE-HNNXBMFYSA-N 0 3 268.316 2.488 10 0 CEAEHN C[C@H]1C[C@H](C)CN(Cc2cccnc2C(N)=S)C1 ZINC000061659659 524885917 /nfs/dbraw/zinc/88/59/17/524885917.db2.gz WVIJZLIMHUSZSQ-QWRGUYRKSA-N 0 3 263.410 2.194 10 0 CEAEHN Cc1cc(F)ccc1C[C@@H](CN)C(=O)NC(C)(C)C ZINC000050568822 524981553 /nfs/dbraw/zinc/98/15/53/524981553.db2.gz UEHJRCKPJZXPNN-LBPRGKRZSA-N 0 3 266.360 2.166 10 0 CEAEHN C[C@H]1Cc2ccccc2N1Cc1cccnc1C(=N)N ZINC000061657785 524993802 /nfs/dbraw/zinc/99/38/02/524993802.db2.gz SBZOJMVVLRXRLC-NSHDSACASA-N 0 3 266.348 2.317 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)Nc1ccc(F)cc1F ZINC000069133541 525100828 /nfs/dbraw/zinc/10/08/28/525100828.db2.gz IALNSMZYXIUXPB-DTORHVGOSA-N 0 3 269.295 2.179 10 0 CEAEHN CSCCCNCC(=O)Nc1ccc(F)cc1 ZINC000069446672 525477419 /nfs/dbraw/zinc/47/74/19/525477419.db2.gz ZJDPGGCQUMCVCK-UHFFFAOYSA-N 0 3 256.346 2.107 10 0 CEAEHN C[C@@H](NCCc1nncn1C)c1cnc2ccsc2c1 ZINC000068692061 525471366 /nfs/dbraw/zinc/47/13/66/525471366.db2.gz HOXXBKMKLGFQKB-SNVBAGLBSA-N 0 3 287.392 2.318 10 0 CEAEHN COc1ccc2cc([C@@H](N)[C@@H]3COCCO3)ccc2c1 ZINC000055301237 525638133 /nfs/dbraw/zinc/63/81/33/525638133.db2.gz XKFUZFYEKVQIGX-JKSUJKDBSA-N 0 3 273.332 2.264 10 0 CEAEHN Cc1ccnc(NC(=O)[C@@H](CN)c2ccccc2)c1 ZINC000061611022 525686227 /nfs/dbraw/zinc/68/62/27/525686227.db2.gz RRGWFKRSJDSLHB-ZDUSSCGKSA-N 0 3 255.321 2.071 10 0 CEAEHN C[C@@H](O)c1ccccc1NC(=O)[C@@H](N)C(C)(C)C ZINC000049547186 525873203 /nfs/dbraw/zinc/87/32/03/525873203.db2.gz HMXTUTYSKPDAKX-BXKDBHETSA-N 0 3 250.342 2.052 10 0 CEAEHN COc1cccc(CN(C)Cc2ccnc(C(=N)N)c2)c1 ZINC000068761343 525914419 /nfs/dbraw/zinc/91/44/19/525914419.db2.gz KNNLIOCBKQWJEP-UHFFFAOYSA-N 0 3 284.363 2.006 10 0 CEAEHN Cc1ccc(C(=O)NCc2ccc(CC[NH3+])cc2)c([O-])c1 ZINC000052898808 526185100 /nfs/dbraw/zinc/18/51/00/526185100.db2.gz GRVGJLBTTQPZAT-UHFFFAOYSA-N 0 3 284.359 2.132 10 0 CEAEHN Cc1oc(COc2ccc(S(C)(=O)=O)cc2)cc1CN ZINC000052702103 526777063 /nfs/dbraw/zinc/77/70/63/526777063.db2.gz YEUWQIZQGXDVMD-UHFFFAOYSA-N 0 3 295.360 2.029 10 0 CEAEHN N=C(N)c1ncccc1COc1ccc2c(c1)CCC2 ZINC000061658694 526825088 /nfs/dbraw/zinc/82/50/88/526825088.db2.gz JDWCJOZCIVQGRR-UHFFFAOYSA-N 0 3 267.332 2.433 10 0 CEAEHN [O-]C(=NOCC[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000062578324 526844461 /nfs/dbraw/zinc/84/44/61/526844461.db2.gz ISDNMUKYNGNMAH-UHFFFAOYSA-N 0 3 283.759 2.489 10 0 CEAEHN Cc1nc(N(C)C[C@H]2CCCCO2)sc1[C@@H](C)N ZINC000054896706 526950308 /nfs/dbraw/zinc/95/03/08/526950308.db2.gz ZRUUVPGPQWCSJH-MWLCHTKSSA-N 0 3 269.414 2.477 10 0 CEAEHN Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1[C@@H](C)N ZINC000054864238 526973220 /nfs/dbraw/zinc/97/32/20/526973220.db2.gz LIEBUBAMLJQUKE-HRDYMLBCSA-N 0 3 255.387 2.085 10 0 CEAEHN NC(=O)[C@@](N)(CSc1ccccc1Cl)C1CC1 ZINC000069186592 526991194 /nfs/dbraw/zinc/99/11/94/526991194.db2.gz QNKLAHVMAGQABB-GFCCVEGCSA-N 0 3 270.785 2.025 10 0 CEAEHN NC[C@@H](c1csc2ccccc12)N1CCOCC1 ZINC000054463832 527207533 /nfs/dbraw/zinc/20/75/33/527207533.db2.gz ASMQRTZCRLWCOY-ZDUSSCGKSA-N 0 3 262.378 2.233 10 0 CEAEHN NCc1cc(F)ccc1N1CCC[C@@H]1CCCO ZINC000052761760 527248916 /nfs/dbraw/zinc/24/89/16/527248916.db2.gz DYKUAOBVUCJHHS-CYBMUJFWSA-N 0 3 252.333 2.026 10 0 CEAEHN NCc1cccc(Br)c1OCCn1cccn1 ZINC000049313833 527259607 /nfs/dbraw/zinc/25/96/07/527259607.db2.gz OFBVBMFUDYPGHP-UHFFFAOYSA-N 0 3 296.168 2.183 10 0 CEAEHN NCc1ccccc1CNC(=O)c1cc(Cl)c[nH]1 ZINC000061840967 527260592 /nfs/dbraw/zinc/26/05/92/527260592.db2.gz RWCNQFREMIWEQV-UHFFFAOYSA-N 0 3 263.728 2.057 10 0 CEAEHN NN=c1[nH]cc(C(=O)NCCC2CCCC2)cc1Cl ZINC000051091592 527287038 /nfs/dbraw/zinc/28/70/38/527287038.db2.gz UFKZQBYEOVKKJX-UHFFFAOYSA-N 0 3 282.775 2.331 10 0 CEAEHN N[C@@H](c1cnccn1)C1(c2ccccc2)CCOCC1 ZINC000069499932 527338553 /nfs/dbraw/zinc/33/85/53/527338553.db2.gz HJJGZOZTGVKTRI-HNNXBMFYSA-N 0 3 269.348 2.225 10 0 CEAEHN N[C@@H](c1ccccc1)[C@@H](O)C(F)(F)C(F)(F)F ZINC000061857099 527339206 /nfs/dbraw/zinc/33/92/06/527339206.db2.gz FIGKHWYKTICWDJ-JGVFFNPUSA-N 0 3 255.186 2.245 10 0 CEAEHN N[C@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702605 527395297 /nfs/dbraw/zinc/39/52/97/527395297.db2.gz CYPZWKGDOHMZSH-STQMWFEESA-N 0 3 253.367 2.120 10 0 CEAEHN Nc1ccc(Cl)cc1C(=O)NCCN1CCCCC1 ZINC000049574372 527486508 /nfs/dbraw/zinc/48/65/08/527486508.db2.gz RWPFZUKPXUXGEJ-UHFFFAOYSA-N 0 3 281.787 2.138 10 0 CEAEHN OC[C@@H]1CCCC[C@H]1NCc1cncc(Br)c1 ZINC000183716179 527588872 /nfs/dbraw/zinc/58/88/72/527588872.db2.gz BGVCPNGJNJRQDA-WCQYABFASA-N 0 3 299.212 2.485 10 0 CEAEHN OC[C@H](NC[C@H]1CCCO1)c1ccc2ncccc2c1 ZINC000069504751 527608764 /nfs/dbraw/zinc/60/87/64/527608764.db2.gz JOFXRCZPDMSJSX-ZBFHGGJFSA-N 0 3 272.348 2.037 10 0 CEAEHN FC(F)(F)CO[C@@H]1CCC[C@H](NCc2c[nH]cn2)C1 ZINC000054764944 527671637 /nfs/dbraw/zinc/67/16/37/527671637.db2.gz AFBXCLDYERVFBH-GXSJLCMTSA-N 0 3 277.290 2.389 10 0 CEAEHN Cc1nn(C)c(N2CC[C@H](c3ccccc3)C2)c1CN ZINC000050600323 527677088 /nfs/dbraw/zinc/67/70/88/527677088.db2.gz OIOAIYZUTNWYAO-AWEZNQCLSA-N 0 3 270.380 2.181 10 0 CEAEHN Cc1nn(C)c(Oc2cc(F)cc(F)c2)c1CN ZINC000054933438 527680697 /nfs/dbraw/zinc/68/06/97/527680697.db2.gz SPJFIHZOMRPPPM-UHFFFAOYSA-N 0 3 253.252 2.258 10 0 CEAEHN CCCCc1nc(CN(C)C[C@@H]2CCCN2CC)no1 ZINC000175356976 529036976 /nfs/dbraw/zinc/03/69/76/529036976.db2.gz ZYHGAJNGVKHYPL-ZDUSSCGKSA-N 0 3 280.416 2.328 10 0 CEAEHN CCN1CCC[C@H](NC(=O)C[C@@H]2CC[C@H](C)C2)C1 ZINC000177740773 529087963 /nfs/dbraw/zinc/08/79/63/529087963.db2.gz CUCJVDFUFKAKKB-MJBXVCDLSA-N 0 3 252.402 2.413 10 0 CEAEHN CCSCC[C@H](C)NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000174237076 529193987 /nfs/dbraw/zinc/19/39/87/529193987.db2.gz QDACUQPYAZPDMT-QWHCGFSZSA-N 0 3 287.473 2.302 10 0 CEAEHN COC(=O)[C@@H](C)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000093036293 536442499 /nfs/dbraw/zinc/44/24/99/536442499.db2.gz ZUVUDXBQJWMYOM-QWHCGFSZSA-N 0 3 294.370 2.145 10 0 CEAEHN COc1ccc(Br)c(N2CCN[C@H](C)C2)c1 ZINC000083869878 536629894 /nfs/dbraw/zinc/62/98/94/536629894.db2.gz UWHXEFBDGUADDM-SECBINFHSA-N 0 3 285.185 2.256 10 0 CEAEHN COc1ccc(Br)cc1N1CCNC[C@@H]1C ZINC000083086935 536639203 /nfs/dbraw/zinc/63/92/03/536639203.db2.gz JYKNSTAOLIGMBF-VIFPVBQESA-N 0 3 285.185 2.256 10 0 CEAEHN Cc1ccnc(CN2C[C@H]3CCCCN3C[C@@H]2C)c1 ZINC000328170349 538839044 /nfs/dbraw/zinc/83/90/44/538839044.db2.gz KLSZEMQTQJUMOR-GOEBONIOSA-N 0 3 259.397 2.449 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NC1CCS(=O)(=O)CC1 ZINC000036331370 622668671 /nfs/dbraw/zinc/66/86/71/622668671.db2.gz SMOFRRAGOAWLSZ-GFCCVEGCSA-N 0 3 297.420 2.313 10 0 CEAEHN COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000312460666 628275037 /nfs/dbraw/zinc/27/50/37/628275037.db2.gz YNMLLWXGDIHQOH-RISCZKNCSA-N 0 3 276.380 2.308 10 0 CEAEHN CCCCc1cc(NC(=O)[C@@H](N)[C@H](C)CC)n[nH]1 ZINC000236887749 628728929 /nfs/dbraw/zinc/72/89/29/628728929.db2.gz XKKABOYJLSOUTN-SKDRFNHKSA-N 0 3 252.362 2.064 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000097604809 630462707 /nfs/dbraw/zinc/46/27/07/630462707.db2.gz OMASEXGPDSUUGS-ZWNOBZJWSA-N 0 3 279.771 2.238 10 0 CEAEHN CCc1nc[nH]c1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000905420957 636268471 /nfs/dbraw/zinc/26/84/71/636268471.db2.gz ZSQZEHVQMMIQJR-AWEZNQCLSA-N 0 3 286.379 2.005 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000226354471 639538494 /nfs/dbraw/zinc/53/84/94/639538494.db2.gz XETIEHTZMOZPRD-OIBJUYFYSA-N 0 3 255.749 2.355 10 0 CEAEHN COC(=O)C[C@@H](N)c1csc(Br)c1 ZINC000238336668 641471427 /nfs/dbraw/zinc/47/14/27/641471427.db2.gz IUNQPFLHGGAXSV-ZCFIWIBFSA-N 0 3 264.144 2.074 10 0 CEAEHN O=[N+]([O-])c1ccnc(N2CCN(C3CCCC3)CC2)c1 ZINC000058213327 721852739 /nfs/dbraw/zinc/85/27/39/721852739.db2.gz VUMGKGCKGGGQOM-UHFFFAOYSA-N 0 3 276.340 2.054 10 0 CEAEHN CN[C@H](C[S@@](=O)CCCOC)c1cc(C)ccc1C ZINC000081999411 177917053 /nfs/dbraw/zinc/91/70/53/177917053.db2.gz FRFSQTUBFXKEKZ-DNVCBOLYSA-N 0 3 283.437 2.349 10 0 CEAEHN C[C@@H]1CC(F)(F)CCN1C(=O)[C@@]1(C)CCCCN1 ZINC000638630428 370644534 /nfs/dbraw/zinc/64/45/34/370644534.db2.gz MJVGVNGIZONEGR-ZYHUDNBSSA-N 0 3 260.328 2.165 10 0 CEAEHN CCc1nc(-c2cnccn2)sc1CNC1CC1 ZINC000082426234 178001309 /nfs/dbraw/zinc/00/13/09/178001309.db2.gz LSTIHZVDSKXORC-UHFFFAOYSA-N 0 3 260.366 2.415 10 0 CEAEHN COCc1nc(-c2cccc(OC)c2)sc1CN ZINC000082446390 178024095 /nfs/dbraw/zinc/02/40/95/178024095.db2.gz ZJCFSXPEQVTANF-UHFFFAOYSA-N 0 3 264.350 2.424 10 0 CEAEHN COC(=O)C[C@H](N)c1ccc(C)c(Br)c1 ZINC000095764586 185027471 /nfs/dbraw/zinc/02/74/71/185027471.db2.gz OGLVFDAJTRJFSV-JTQLQIEISA-N 0 3 272.142 2.320 10 0 CEAEHN N=C(N)c1nn(Cc2ccccc2)c2ccccc21 ZINC000095774415 185028092 /nfs/dbraw/zinc/02/80/92/185028092.db2.gz CTUOMVOHKYLGRC-UHFFFAOYSA-N 0 3 250.305 2.369 10 0 CEAEHN C[C@@H]1C[C@H]1CN(C)Cc1nc(NN)ccc1Cl ZINC000082650044 178141792 /nfs/dbraw/zinc/14/17/92/178141792.db2.gz JBENRDNEFCKQCR-BDAKNGLRSA-N 0 3 254.765 2.108 10 0 CEAEHN CN1c2ccc([C@H](N)c3cccc(F)c3)cc2CC1=O ZINC000034940654 361799233 /nfs/dbraw/zinc/79/92/33/361799233.db2.gz LCLWRKFSZNPHMV-MRXNPFEDSA-N 0 3 270.307 2.393 10 0 CEAEHN CCN1CCC[C@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000124901267 187160263 /nfs/dbraw/zinc/16/02/63/187160263.db2.gz HOLJDDFXSTWZQL-INIZCTEOSA-N 0 3 284.407 2.446 10 0 CEAEHN CNc1c(Cl)ncnc1N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000125067910 187168510 /nfs/dbraw/zinc/16/85/10/187168510.db2.gz ZKBIECMTULOLOU-UWVGGRQHSA-N 0 3 283.807 2.312 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)CC2CCCCCC2)CCO1 ZINC000176608419 282122885 /nfs/dbraw/zinc/12/28/85/282122885.db2.gz QCHGCNNCBYZORC-OAHLLOKOSA-N 0 3 282.428 2.136 10 0 CEAEHN CO[C@@H]1CCN(Cc2ccncc2)[C@H]1Cc1ccncc1 ZINC000096092723 185094664 /nfs/dbraw/zinc/09/46/64/185094664.db2.gz GKWIADRUMRSBRN-DLBZAZTESA-N 0 3 283.375 2.309 10 0 CEAEHN COc1ccc2oc(CN[C@H]3CCc4ncnn4C3)cc2c1 ZINC000125140768 187171942 /nfs/dbraw/zinc/17/19/42/187171942.db2.gz VQVNUMNLKMUVEK-LBPRGKRZSA-N 0 3 298.346 2.138 10 0 CEAEHN Cc1ccc(CNC(=O)[C@H](N)C(C)(C)C)cc1F ZINC000083393200 178401575 /nfs/dbraw/zinc/40/15/75/178401575.db2.gz DDJQMZGITKXOJC-LBPRGKRZSA-N 0 3 252.333 2.124 10 0 CEAEHN c1ccc(CN2CCCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000096949586 185138646 /nfs/dbraw/zinc/13/86/46/185138646.db2.gz MDTCHOXJZCOIBF-JKSUJKDBSA-N 0 3 260.381 2.030 10 0 CEAEHN COc1cccc(CN[C@@H]2CCC[C@@H](O)C2)c1OC ZINC000037165279 361902316 /nfs/dbraw/zinc/90/23/16/361902316.db2.gz RBLVBTPEBPJFOW-CHWSQXEVSA-N 0 3 265.353 2.097 10 0 CEAEHN C[C@H](C(=O)NCC[C@H]1CCCO1)[C@@H](N)c1ccccc1 ZINC000226826504 539208798 /nfs/dbraw/zinc/20/87/98/539208798.db2.gz XRYWMEZXIKJNMO-NWANDNLSSA-N 0 3 276.380 2.008 10 0 CEAEHN CC(C)CCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000132164659 539264852 /nfs/dbraw/zinc/26/48/52/539264852.db2.gz IHFQGOMEMIXGJH-KBPBESRZSA-N 0 3 269.433 2.403 10 0 CEAEHN N[C@H]1CCC[S@](=O)c2ccc(Br)cc21 ZINC000040976803 362010589 /nfs/dbraw/zinc/01/05/89/362010589.db2.gz UOJJSRUFIXRPLF-LKFCYVNXSA-N 0 3 274.183 2.350 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000041663364 362046255 /nfs/dbraw/zinc/04/62/55/362046255.db2.gz ABVWMMYAJKVPIH-OAHLLOKOSA-N 0 3 289.379 2.495 10 0 CEAEHN Cc1ccc([C@@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)o1 ZINC000127870215 187338669 /nfs/dbraw/zinc/33/86/69/187338669.db2.gz ZCKCOVWAIAJSLH-NEPJUHHUSA-N 0 3 299.392 2.075 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCC23CCCC3)C1 ZINC000336123191 282262107 /nfs/dbraw/zinc/26/21/07/282262107.db2.gz RPPOJLWVZSICOQ-STQMWFEESA-N 0 3 265.401 2.055 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2cnc3ccccc3n2)C1 ZINC000037321178 343426394 /nfs/dbraw/zinc/42/63/94/343426394.db2.gz QVMLZTRBKYDSCN-DGCLKSJQSA-N 0 3 257.337 2.023 10 0 CEAEHN O=C1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000039043571 343435492 /nfs/dbraw/zinc/43/54/92/343435492.db2.gz HTDYKTPSSROCJE-UHFFFAOYSA-N 0 3 258.365 2.320 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2[C@H](C)CC[C@@H]2C)C1 ZINC000128075580 365774036 /nfs/dbraw/zinc/77/40/36/365774036.db2.gz DTUJKXRJCZACAO-FRRDWIJNSA-N 0 3 253.390 2.053 10 0 CEAEHN CN(C)c1ccccc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000173362680 529794118 /nfs/dbraw/zinc/79/41/18/529794118.db2.gz PVGCJCIALSLSJY-OAHLLOKOSA-N 0 3 299.422 2.256 10 0 CEAEHN CN(C)C[C@H]1CN(Cc2ccc(F)cc2Cl)CCO1 ZINC000128160050 187354377 /nfs/dbraw/zinc/35/43/77/187354377.db2.gz UZVJSBDPWBNWCS-ZDUSSCGKSA-N 0 3 286.778 2.242 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)C(C)(C)N1CCNCC1 ZINC000129700422 344346124 /nfs/dbraw/zinc/34/61/24/344346124.db2.gz SUUHOVICYJRLCN-AWEZNQCLSA-N 0 3 283.460 2.001 10 0 CEAEHN CCN1CCO[C@H](CNCc2ccc(C)c(C)c2)C1 ZINC000134437257 344374301 /nfs/dbraw/zinc/37/43/01/344374301.db2.gz UQDFRWAZSUZXGB-MRXNPFEDSA-N 0 3 262.397 2.114 10 0 CEAEHN CCOC(=O)c1ccc(NC(=O)[C@@]2(C)CCCCN2)cc1 ZINC000136130518 344384259 /nfs/dbraw/zinc/38/42/59/344384259.db2.gz XAZOGGILUYSRJZ-MRXNPFEDSA-N 0 3 290.363 2.334 10 0 CEAEHN Cc1cc(N2CCNCC2)n(-c2ccc(Cl)cc2)n1 ZINC000138428142 344389953 /nfs/dbraw/zinc/38/99/53/344389953.db2.gz UEUTWAPSWKPQDY-UHFFFAOYSA-N 0 3 276.771 2.244 10 0 CEAEHN Cn1c2ccccc2nc1-c1ccnc(N2CCNCC2)c1 ZINC000141985731 344402093 /nfs/dbraw/zinc/40/20/93/344402093.db2.gz NEIWGTJVQXLSKO-UHFFFAOYSA-N 0 3 293.374 2.045 10 0 CEAEHN NC[C@@H](F)Cc1cc(F)cc(Br)c1 ZINC000158058118 344449538 /nfs/dbraw/zinc/44/95/38/344449538.db2.gz AJFLUMCBJXQDDZ-VIFPVBQESA-N 0 3 250.086 2.428 10 0 CEAEHN CN[C@@H]1COc2c1cc(OC)cc2Br ZINC000163000597 344469582 /nfs/dbraw/zinc/46/95/82/344469582.db2.gz KQUACKHKVCJEPG-SECBINFHSA-N 0 3 258.115 2.111 10 0 CEAEHN Cc1cc(Cl)ccc1OCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000170863480 344491644 /nfs/dbraw/zinc/49/16/44/344491644.db2.gz FNTAQCDWQMEHRT-CYBMUJFWSA-N 0 3 296.798 2.190 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000170868204 344491654 /nfs/dbraw/zinc/49/16/54/344491654.db2.gz ZKZGGVDAHBDZPL-CRAIPNDOSA-N 0 3 286.419 2.443 10 0 CEAEHN Cc1c(CN[C@@H]2CCc3cc(N)ccc32)cnn1C ZINC000226310230 344549095 /nfs/dbraw/zinc/54/90/95/344549095.db2.gz SVONUQCVJFBNIN-OAHLLOKOSA-N 0 3 256.353 2.088 10 0 CEAEHN O[C@@H](c1occc1Br)[C@H]1CCCCN1 ZINC000236541109 344596042 /nfs/dbraw/zinc/59/60/42/344596042.db2.gz NIZBBWAVGSSCNP-RKDXNWHRSA-N 0 3 260.131 2.218 10 0 CEAEHN CCN(C[C@@H]1CCCO1)C[C@](C)(O)c1ccccc1 ZINC000052097195 362464690 /nfs/dbraw/zinc/46/46/90/362464690.db2.gz ZEBKUEYOMKPUSP-HOTGVXAUSA-N 0 3 263.381 2.395 10 0 CEAEHN Nc1ccc(N2CCCN(Cc3ccccc3)CC2)cn1 ZINC000306499183 344713757 /nfs/dbraw/zinc/71/37/57/344713757.db2.gz IEGHSFWSPSCABE-UHFFFAOYSA-N 0 3 282.391 2.376 10 0 CEAEHN OCCN1CCC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000384687546 344828994 /nfs/dbraw/zinc/82/89/94/344828994.db2.gz HUBPURWVOZNGHM-LBPRGKRZSA-N 0 3 286.778 2.025 10 0 CEAEHN CC(C)(C)c1csc(CN2CC[C@@H]3OCCN[C@H]3C2)n1 ZINC000403985952 344877772 /nfs/dbraw/zinc/87/77/72/344877772.db2.gz CBNQILSRHSNGNC-RYUDHWBXSA-N 0 3 295.452 2.003 10 0 CEAEHN Cc1cnc2c(Cc3ccc(F)cc3)nc(C(=N)N)cn12 ZINC000584605066 344963633 /nfs/dbraw/zinc/96/36/33/344963633.db2.gz BRDRWCJYMVYVCM-UHFFFAOYSA-N 0 3 283.310 2.052 10 0 CEAEHN CCN1CCN(C)N=C1Cc1ccc(Cl)cc1 ZINC000584614446 344965207 /nfs/dbraw/zinc/96/52/07/344965207.db2.gz YWNPKNKSJPBEDQ-UHFFFAOYSA-N 0 3 251.761 2.463 10 0 CEAEHN c1ccc([C@H]2N=C(CCCN3CCCC3)ON2)cc1 ZINC000584614151 344965372 /nfs/dbraw/zinc/96/53/72/344965372.db2.gz VMTFQNKQJWJBMO-HNNXBMFYSA-N 0 3 259.353 2.495 10 0 CEAEHN CC(C)[NH2+][C@@H](C)[C@@H](O)c1ccc([O-])c2[nH]c(=O)ccc21 ZINC000584621435 344967103 /nfs/dbraw/zinc/96/71/03/344967103.db2.gz OKJIXKXNHUFUHR-BJOHPYRUSA-N 0 3 276.336 2.066 10 0 CEAEHN CCCCCCN1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000584640269 344971526 /nfs/dbraw/zinc/97/15/26/344971526.db2.gz UWGZCEVBUCIAAG-AWEZNQCLSA-N 0 3 267.417 2.399 10 0 CEAEHN FC(F)(F)c1ccnc(-c2cnn3c2CNCC3)c1 ZINC000584648620 344972870 /nfs/dbraw/zinc/97/28/70/344972870.db2.gz PAYOKMRTQKOHSR-UHFFFAOYSA-N 0 3 268.242 2.067 10 0 CEAEHN c1ccc(CCc2ccccc2N2CCNCC2)nc1 ZINC000584651459 344973713 /nfs/dbraw/zinc/97/37/13/344973713.db2.gz VUASDOHYYADIIH-UHFFFAOYSA-N 0 3 267.376 2.276 10 0 CEAEHN CCNc1c(N)cnc2ccc(N3CCCC3)cc21 ZINC000584882589 344996480 /nfs/dbraw/zinc/99/64/80/344996480.db2.gz LHBARNVHZOECJC-UHFFFAOYSA-N 0 3 256.353 2.271 10 0 CEAEHN CCN(CC)C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000054002678 362503906 /nfs/dbraw/zinc/50/39/06/362503906.db2.gz WVPJFOSCDVUOIY-CQSZACIVSA-N 0 3 263.385 2.341 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccccc1OC(F)(F)F ZINC000054071606 362508994 /nfs/dbraw/zinc/50/89/94/362508994.db2.gz QYZAVWSFFDAQOT-SSDOTTSWSA-N 0 3 262.231 2.132 10 0 CEAEHN CN[C@H](C)C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000054074752 362509027 /nfs/dbraw/zinc/50/90/27/362509027.db2.gz IQPJJPSQZUATFM-GFCCVEGCSA-N 0 3 256.349 2.406 10 0 CEAEHN CN[C@H](C)C(=O)N(C)Cc1cccc(Br)c1 ZINC000054075704 362510808 /nfs/dbraw/zinc/51/08/08/362510808.db2.gz ISPOAXTWCIOGAL-SECBINFHSA-N 0 3 285.185 2.015 10 0 CEAEHN COc1ccnc(CNCCc2ccccc2)c1OC ZINC000058824416 362640124 /nfs/dbraw/zinc/64/01/24/362640124.db2.gz RHGZGVAVWOCYLL-UHFFFAOYSA-N 0 3 272.348 2.431 10 0 CEAEHN CC(C)CCN(C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247049784 539487363 /nfs/dbraw/zinc/48/73/63/539487363.db2.gz IHFQGOMEMIXGJH-UONOGXRCSA-N 0 3 269.433 2.403 10 0 CEAEHN CN(C)C[C@@H](NC(=O)CC1(O)CCCC1)c1ccccc1 ZINC000173723569 232282303 /nfs/dbraw/zinc/28/23/03/232282303.db2.gz VPXKZFUNZSRZCL-OAHLLOKOSA-N 0 3 290.407 2.101 10 0 CEAEHN CC[C@@](C)([C@H](Cc1nc(C)c(C)s1)NN)N1CCCC1 ZINC000097584327 185631145 /nfs/dbraw/zinc/63/11/45/185631145.db2.gz MFACPFJNHMXGFJ-ZFWWWQNUSA-N 0 3 296.484 2.399 10 0 CEAEHN CCN[C@](CO)(CO[C@H](C)CC)c1ccccc1 ZINC000085286981 179004803 /nfs/dbraw/zinc/00/48/03/179004803.db2.gz CZVXMMQZPREVIB-UKRRQHHQSA-N 0 3 251.370 2.299 10 0 CEAEHN N[C@H]1COC[C@H]1c1nc2cc(Cl)ccc2s1 ZINC000085352940 179029608 /nfs/dbraw/zinc/02/96/08/179029608.db2.gz BDHCNQJDGPQBQO-SFYZADRCSA-N 0 3 254.742 2.391 10 0 CEAEHN CC(C)[C@H](NCc1cnn(CCO)c1)c1cccs1 ZINC000085433509 179061133 /nfs/dbraw/zinc/06/11/33/179061133.db2.gz LXUFZDKPPFPWRS-AWEZNQCLSA-N 0 3 279.409 2.424 10 0 CEAEHN C[C@@H]1CN[C@H](c2ccccc2)CN1C[C@@H]1CCCO1 ZINC000085504567 179084885 /nfs/dbraw/zinc/08/48/85/179084885.db2.gz UVYYSTJQTBSAPN-KBMXLJTQSA-N 0 3 260.381 2.200 10 0 CEAEHN CC[C@@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CCOC1 ZINC000085505356 179084191 /nfs/dbraw/zinc/08/41/91/179084191.db2.gz CZIFTJKVRIRLNV-BZUAXINKSA-N 0 3 260.381 2.200 10 0 CEAEHN CCC[C@@H]1CN[C@@H](c2ccccc2)CN1CCOC ZINC000085506000 179084565 /nfs/dbraw/zinc/08/45/65/179084565.db2.gz ASBJMDMDNXXWOQ-HZPDHXFCSA-N 0 3 262.397 2.448 10 0 CEAEHN CC(C)(C)c1nc2c(n1[C@@H]1CN3CCC1CC3)CCNC2 ZINC000085568708 179095670 /nfs/dbraw/zinc/09/56/70/179095670.db2.gz ZECBNUKSABAZQV-OAHLLOKOSA-N 0 3 288.439 2.093 10 0 CEAEHN CCC[C@@H](N)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000236901224 370649211 /nfs/dbraw/zinc/64/92/11/370649211.db2.gz FBLVOURQGXLPRF-HZPDHXFCSA-N 0 3 290.407 2.322 10 0 CEAEHN CN(C)C[C@@H](O)Cc1ccc(Br)cc1F ZINC000085794151 179171540 /nfs/dbraw/zinc/17/15/40/179171540.db2.gz CZMXHUMEBISPSF-JTQLQIEISA-N 0 3 276.149 2.053 10 0 CEAEHN Cc1ccc(NC(=O)CNC[C@@H]2CCCC[C@H]2O)cc1 ZINC000085986644 179212359 /nfs/dbraw/zinc/21/23/59/179212359.db2.gz SDNPEKRRBDMOFV-DZGCQCFKSA-N 0 3 276.380 2.074 10 0 CEAEHN C[C@@H]1CC[C@H](NCc2cc(C(N)=O)ccc2F)[C@@H]1C ZINC000086077834 179225959 /nfs/dbraw/zinc/22/59/59/179225959.db2.gz YVVWKCNDEIPMMI-RULNRJAQSA-N 0 3 264.344 2.449 10 0 CEAEHN CCCN[C@H](c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000086022337 179218661 /nfs/dbraw/zinc/21/86/61/179218661.db2.gz PRMUKPRDYAUJKC-AAEUAGOBSA-N 0 3 271.382 2.063 10 0 CEAEHN CCN[C@H](c1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086020964 179218668 /nfs/dbraw/zinc/21/86/68/179218668.db2.gz NNWLACZKTJFJFN-GWCFXTLKSA-N 0 3 287.450 2.396 10 0 CEAEHN Cn1cc([C@H]2CCN(Cc3cccc(O)c3)C2)cn1 ZINC000128511069 187374906 /nfs/dbraw/zinc/37/49/06/187374906.db2.gz LJVXXTMHZAXMJJ-ZDUSSCGKSA-N 0 3 257.337 2.115 10 0 CEAEHN c1ccc([C@@H]2CN(CCc3ccccn3)CCN2)cc1 ZINC000086130656 179236439 /nfs/dbraw/zinc/23/64/39/179236439.db2.gz CFVLJAWDPXFVTP-KRWDZBQOSA-N 0 3 267.376 2.271 10 0 CEAEHN C[C@@H]1CN[C@@](C)(c2ccccc2)CN1Cc1nccn1C ZINC000086264853 179261158 /nfs/dbraw/zinc/26/11/58/179261158.db2.gz BBSYSHODQRVALB-RHSMWYFYSA-N 0 3 284.407 2.129 10 0 CEAEHN CCCN1CCO[C@@H](CN)[C@@H]1c1ccc2ccccc2n1 ZINC000086317396 179270369 /nfs/dbraw/zinc/27/03/69/179270369.db2.gz XCTRIMXTUYHFCA-IRXDYDNUSA-N 0 3 285.391 2.345 10 0 CEAEHN CCCN[C@@H]1CCCc2sc(N3CCN(C)CC3)nc21 ZINC000086442149 179293897 /nfs/dbraw/zinc/29/38/97/179293897.db2.gz GAFJRJUANDIAIB-GFCCVEGCSA-N 0 3 294.468 2.272 10 0 CEAEHN CC[C@H]1CN(C(=O)Cc2cccc(F)c2)[C@@H](CC)CN1 ZINC000086446338 179294704 /nfs/dbraw/zinc/29/47/04/179294704.db2.gz SVOIOBMFOQNCOY-GJZGRUSLSA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(OC)cc2[O-])[C@@H](CC)C[NH2+]1 ZINC000086446953 179295665 /nfs/dbraw/zinc/29/56/65/179295665.db2.gz LUOINPCLEVDBMH-NEPJUHHUSA-N 0 3 292.379 2.003 10 0 CEAEHN CC[C@H](CC[NH3+])CCC(=O)[N-]OCc1ccccc1 ZINC000086437198 179292863 /nfs/dbraw/zinc/29/28/63/179292863.db2.gz FKYMJUXUXNBTAF-ZDUSSCGKSA-N 0 3 264.369 2.390 10 0 CEAEHN CN[C@@H]1CCCc2sc(C[C@@H]3CCCO3)nc21 ZINC000086439074 179292920 /nfs/dbraw/zinc/29/29/20/179292920.db2.gz RJTUFSSWSQBNRF-VHSXEESVSA-N 0 3 252.383 2.461 10 0 CEAEHN CN[C@@H](Cc1ccccc1Br)C(OC)OC ZINC000086452269 179296604 /nfs/dbraw/zinc/29/66/04/179296604.db2.gz LVQNNGCAOFUJFI-NSHDSACASA-N 0 3 288.185 2.199 10 0 CEAEHN Cc1cnc([C@H](C)NC(=O)C[C@H](N)c2ccccc2)o1 ZINC000231743559 539580861 /nfs/dbraw/zinc/58/08/61/539580861.db2.gz XZTAXDAJGYMSGB-AAEUAGOBSA-N 0 3 273.336 2.250 10 0 CEAEHN C[C@@H](CO)CNCC(=O)Nc1c(Cl)cccc1Cl ZINC000086631465 179315104 /nfs/dbraw/zinc/31/51/04/179315104.db2.gz PENFVKJFXAYSDU-MRVPVSSYSA-N 0 3 291.178 2.150 10 0 CEAEHN COc1cccc([C@H](C)N[C@@H]2CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086674891 179318546 /nfs/dbraw/zinc/31/85/46/179318546.db2.gz UWZXDVXQLNRFPH-GLQYFDAESA-N 0 3 297.420 2.312 10 0 CEAEHN C[C@@H]1CCC[C@H]1N1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776363 179328885 /nfs/dbraw/zinc/32/88/85/179328885.db2.gz YAOGTICICRTWKR-BPLDGKMQSA-N 0 3 280.412 2.188 10 0 CEAEHN C[C@@H]1CCC[C@H]1N1CCC([N@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000086776363 179328886 /nfs/dbraw/zinc/32/88/86/179328886.db2.gz YAOGTICICRTWKR-BPLDGKMQSA-N 0 3 280.412 2.188 10 0 CEAEHN COCCN[C@@]1(c2nc(C)c(C)s2)CCCN(C)CC1 ZINC000086833785 179349403 /nfs/dbraw/zinc/34/94/03/179349403.db2.gz RNEBFFZCNXHMBC-HNNXBMFYSA-N 0 3 297.468 2.307 10 0 CEAEHN CC(C)C[C@@H]([NH2+][C@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086843288 179353252 /nfs/dbraw/zinc/35/32/52/179353252.db2.gz HSXIBYQEATXGGH-UONOGXRCSA-N 0 3 270.417 2.338 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868690 179361525 /nfs/dbraw/zinc/36/15/25/179361525.db2.gz DPTRZXQJTHESTM-AWEZNQCLSA-N 0 3 268.401 2.048 10 0 CEAEHN CCCN1CCC[C@H]([N@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000086868690 179361528 /nfs/dbraw/zinc/36/15/28/179361528.db2.gz DPTRZXQJTHESTM-AWEZNQCLSA-N 0 3 268.401 2.048 10 0 CEAEHN CCC[C@@H]([NH2+][C@H]1CCCN(C(C)C)CC1)C(=O)[O-] ZINC000086868683 179362888 /nfs/dbraw/zinc/36/28/88/179362888.db2.gz OBRSELYIOUEZGO-QWHCGFSZSA-N 0 3 256.390 2.092 10 0 CEAEHN CC[C@@H](C)N[C@]1(C(=O)OC)CCCN(C(C)C)CC1 ZINC000086850499 179358694 /nfs/dbraw/zinc/35/86/94/179358694.db2.gz YAPLAKACIMPNGI-UKRRQHHQSA-N 0 3 270.417 2.181 10 0 CEAEHN CCS(=O)(=O)CCC[C@H](N)c1cc(F)ccc1C ZINC000086979303 179373000 /nfs/dbraw/zinc/37/30/00/179373000.db2.gz UZDKJBIFZRFFQA-ZDUSSCGKSA-N 0 3 273.373 2.349 10 0 CEAEHN COCCN[C@]1(c2nc(C)c(C)s2)CCCOCC1 ZINC000086877145 179365663 /nfs/dbraw/zinc/36/56/63/179365663.db2.gz KPBICCNXODZFDA-CQSZACIVSA-N 0 3 284.425 2.392 10 0 CEAEHN COCCCc1nc(C)cc(CNC(C)(C)C)n1 ZINC000086971492 179370535 /nfs/dbraw/zinc/37/05/35/179370535.db2.gz OAZJKSZNECEDET-UHFFFAOYSA-N 0 3 251.374 2.252 10 0 CEAEHN CN[C@@H](CCCOC)c1cc(OC)ccc1OC ZINC000086970003 179370794 /nfs/dbraw/zinc/37/07/94/179370794.db2.gz ADQIWTLIBKITSE-ZDUSSCGKSA-N 0 3 253.342 2.391 10 0 CEAEHN CC[C@@](C)(O)CNCc1c(C)nc2scc(C)n12 ZINC000087012826 179379652 /nfs/dbraw/zinc/37/96/52/179379652.db2.gz PUXRPDLVIKVRDI-CYBMUJFWSA-N 0 3 267.398 2.263 10 0 CEAEHN CCC1CCC(O)(CN[C@H](C)c2cnn(C)c2)CC1 ZINC000087052944 179388906 /nfs/dbraw/zinc/38/89/06/179388906.db2.gz XCHHSTQYEQDICT-DNOWBOINSA-N 0 3 265.401 2.402 10 0 CEAEHN Cc1ccc(NC(=O)CNC[C@@]2(O)CCC[C@@H](C)C2)cc1 ZINC000087064546 179390036 /nfs/dbraw/zinc/39/00/36/179390036.db2.gz MAAUJNGLBNLGNU-RHSMWYFYSA-N 0 3 290.407 2.464 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCC2(C)CCCC2)C1 ZINC000066701089 362881018 /nfs/dbraw/zinc/88/10/18/362881018.db2.gz CIWYXULEAXFEDL-ZDUSSCGKSA-N 0 3 267.417 2.350 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2cc(OC)cc(OC)c2)O1 ZINC000087090352 179394122 /nfs/dbraw/zinc/39/41/22/179394122.db2.gz WCDKJMJHDYUXNH-BXUZGUMPSA-N 0 3 251.326 2.143 10 0 CEAEHN COc1ccc(C[C@@]2(C)CNC[C@H](C)O2)cc1OC ZINC000087090084 179394150 /nfs/dbraw/zinc/39/41/50/179394150.db2.gz OCIFCVOTWUUGFU-NHYWBVRUSA-N 0 3 265.353 2.013 10 0 CEAEHN CC(C)(C)N1CCN[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616631811 348541341 /nfs/dbraw/zinc/54/13/41/348541341.db2.gz DWGLAUVWAHHTMT-OAHLLOKOSA-N 0 3 270.380 2.375 10 0 CEAEHN CN[C@H](c1cncc(F)c1)[C@@H]1COc2ccccc2O1 ZINC000087859729 179503520 /nfs/dbraw/zinc/50/35/20/179503520.db2.gz LVJCKXRGMMNOGG-LSDHHAIUSA-N 0 3 274.295 2.321 10 0 CEAEHN CC(C)N1CCO[C@@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000616594932 348528390 /nfs/dbraw/zinc/52/83/90/348528390.db2.gz SCZPOHPTQMBQRU-GFCCVEGCSA-N 0 3 272.389 2.310 10 0 CEAEHN CC(C)(C)N1CCO[C@@H](c2ccccc2C(N)=O)CC1 ZINC000616593970 348528486 /nfs/dbraw/zinc/52/84/86/348528486.db2.gz BQKSFQHLOOBFFL-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN CCN1CCCO[C@@H](c2cccc(NC(C)=O)c2)C1 ZINC000616599514 348530575 /nfs/dbraw/zinc/53/05/75/348530575.db2.gz VYOFTKSEDZGTHW-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN OCCN1CCCC[C@@H]1c1cccc2nnccc21 ZINC000616614127 348534795 /nfs/dbraw/zinc/53/47/95/348534795.db2.gz JFWZZRDNRLNKAE-OAHLLOKOSA-N 0 3 257.337 2.149 10 0 CEAEHN c1cc([C@@H]2COCCN(Cc3ccccc3)C2)n[nH]1 ZINC000616658858 348551424 /nfs/dbraw/zinc/55/14/24/348551424.db2.gz GFPZZTOWERJPJY-AWEZNQCLSA-N 0 3 257.337 2.026 10 0 CEAEHN CC(C)(C)N1CCO[C@H](c2cccc(C(N)=O)c2)CC1 ZINC000616684139 348560183 /nfs/dbraw/zinc/56/01/83/348560183.db2.gz DMDITSBSHFLCKW-AWEZNQCLSA-N 0 3 276.380 2.347 10 0 CEAEHN CCCNC1(Cc2cc(CC(C)C)on2)COC1 ZINC000067898222 362930536 /nfs/dbraw/zinc/93/05/36/362930536.db2.gz MLYNZJBQNCNWES-UHFFFAOYSA-N 0 3 252.358 2.184 10 0 CEAEHN CNCc1ccccc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C ZINC000089007332 179690874 /nfs/dbraw/zinc/69/08/74/179690874.db2.gz HPQSSZGICCCDPK-GFCCVEGCSA-N 0 3 298.452 2.461 10 0 CEAEHN CCC1CCC(N(C)S(=O)(=O)c2c[nH]c(CN)c2)CC1 ZINC000088996618 179691185 /nfs/dbraw/zinc/69/11/85/179691185.db2.gz YZPJQDQKQNEGRR-UHFFFAOYSA-N 0 3 299.440 2.063 10 0 CEAEHN CC(C)CNCc1ccn(-c2ccc3c(c2)OCCO3)n1 ZINC000089059477 179695573 /nfs/dbraw/zinc/69/55/73/179695573.db2.gz CZKLDZOSPDHNKB-UHFFFAOYSA-N 0 3 287.363 2.389 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1C[C@@H]1CCO[C@@H]1C ZINC000233948565 539686197 /nfs/dbraw/zinc/68/61/97/539686197.db2.gz MWLFFIKNGAOCLF-QKPAOTATSA-N 0 3 266.429 2.360 10 0 CEAEHN CC1(C)CCCN(S(=O)(=O)c2cc(CN)cs2)C1 ZINC000089040051 179693447 /nfs/dbraw/zinc/69/34/47/179693447.db2.gz JPYFTPNSHLHNJJ-UHFFFAOYSA-N 0 3 288.438 2.018 10 0 CEAEHN CCOc1ccc(OCCN2C[C@H](C)C[C@H](O)C2)cc1 ZINC000401494163 233182490 /nfs/dbraw/zinc/18/24/90/233182490.db2.gz ISJNVKSXWSUJMZ-KGLIPLIRSA-N 0 3 279.380 2.167 10 0 CEAEHN CC(C)(C)NCc1cn(CCC(F)(F)F)nn1 ZINC000090298258 179952659 /nfs/dbraw/zinc/95/26/59/179952659.db2.gz SJUDWEQZKKKWOX-UHFFFAOYSA-N 0 3 250.268 2.119 10 0 CEAEHN CC(C)(C)c1ccc(CN[C@H]2CCOC[C@H]2O)s1 ZINC000623766919 350107628 /nfs/dbraw/zinc/10/76/28/350107628.db2.gz NQXMYCFAKVNMPM-NWDGAFQWSA-N 0 3 269.410 2.285 10 0 CEAEHN C[C@]1(c2nc3cc(F)ccc3s2)COC[C@H]1N ZINC000090573015 180007258 /nfs/dbraw/zinc/00/72/58/180007258.db2.gz GPONTLLWLCZPRC-PWSUYJOCSA-N 0 3 252.314 2.051 10 0 CEAEHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@]1(C)COC[C@@H]1N ZINC000090591789 180010419 /nfs/dbraw/zinc/01/04/19/180010419.db2.gz AVAQQEIQKLCUMX-RIEGTJTDSA-N 0 3 296.798 2.223 10 0 CEAEHN CC(C)COc1cccc(NC(=O)[C@]2(C)COC[C@@H]2N)c1 ZINC000090589868 180010486 /nfs/dbraw/zinc/01/04/86/180010486.db2.gz RHLBXCPZFZPYQT-GOEBONIOSA-N 0 3 292.379 2.024 10 0 CEAEHN C[C@H](OCCOc1ccccc1CN)C(F)(F)F ZINC000090671950 180021010 /nfs/dbraw/zinc/02/10/10/180021010.db2.gz YOMBGFPBQSDQDR-VIFPVBQESA-N 0 3 263.259 2.492 10 0 CEAEHN CN(C)C[C@@H]1CSCCCN1C(=O)OC1CCCC1 ZINC000090700198 180027892 /nfs/dbraw/zinc/02/78/92/180027892.db2.gz GNEBGHPFGVXBIC-GFCCVEGCSA-N 0 3 286.441 2.435 10 0 CEAEHN CN(C)C[C@H]1CSCCCN1C(=O)c1ccccc1F ZINC000090699845 180027972 /nfs/dbraw/zinc/02/79/72/180027972.db2.gz ZQZUYXNNHGUWID-LBPRGKRZSA-N 0 3 296.411 2.335 10 0 CEAEHN CCOc1ncnc(NCCN2CCCCC2)c1C ZINC000090791145 180043068 /nfs/dbraw/zinc/04/30/68/180043068.db2.gz REELSPPXINDQIC-UHFFFAOYSA-N 0 3 264.373 2.082 10 0 CEAEHN N[C@@H]1COc2cc(OC[C@H]3Cc4ccccc4O3)ccc21 ZINC000090873955 180050134 /nfs/dbraw/zinc/05/01/34/180050134.db2.gz AUWYCIOMVBWIIN-UKRRQHHQSA-N 0 3 283.327 2.461 10 0 CEAEHN COCCNCc1cccc(SCCCC(=O)OC)c1 ZINC000090873079 180050233 /nfs/dbraw/zinc/05/02/33/180050233.db2.gz UOAWIKKAHUJUQZ-UHFFFAOYSA-N 0 3 297.420 2.468 10 0 CEAEHN N[C@@H]1COc2cc(OC[C@@H]3Cc4ccccc4O3)ccc21 ZINC000090873956 180050349 /nfs/dbraw/zinc/05/03/49/180050349.db2.gz AUWYCIOMVBWIIN-DZGCQCFKSA-N 0 3 283.327 2.461 10 0 CEAEHN CNCc1c(C)nn(C[C@@H]2Cc3ccccc3O2)c1C ZINC000090876340 180052145 /nfs/dbraw/zinc/05/21/45/180052145.db2.gz CYSUABUJHPLREO-AWEZNQCLSA-N 0 3 271.364 2.223 10 0 CEAEHN Cc1cnc(CNC[C@H]2Cc3cc(F)ccc3O2)cn1 ZINC000090892726 180055246 /nfs/dbraw/zinc/05/52/46/180055246.db2.gz KAOIGPZCBQXKOQ-CQSZACIVSA-N 0 3 273.311 2.017 10 0 CEAEHN CCNCc1nccn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894377 180055760 /nfs/dbraw/zinc/05/57/60/180055760.db2.gz OBAOZNQGBBFDHH-ZDUSSCGKSA-N 0 3 275.327 2.135 10 0 CEAEHN CC(C)(N)c1cn(C[C@H]2Cc3cc(Cl)ccc3O2)nn1 ZINC000090901114 180058635 /nfs/dbraw/zinc/05/86/35/180058635.db2.gz IPGMCXBQHNBHIP-LLVKDONJSA-N 0 3 292.770 2.129 10 0 CEAEHN COC(=O)C1CCN(C[C@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090900777 180058660 /nfs/dbraw/zinc/05/86/60/180058660.db2.gz MTBZMWCATAZNOK-OAHLLOKOSA-N 0 3 289.375 2.184 10 0 CEAEHN CCCOc1ccc([C@H](CN)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090905939 180060961 /nfs/dbraw/zinc/06/09/61/180060961.db2.gz YNPRRHQHZNDZBM-BBWFWOEESA-N 0 3 290.407 2.338 10 0 CEAEHN NC(=O)c1ccc(CNC[C@@H]2Cc3ccccc32)c(F)c1 ZINC000090992740 180082320 /nfs/dbraw/zinc/08/23/20/180082320.db2.gz LJNFHSSSOMXBOH-AWEZNQCLSA-N 0 3 284.334 2.354 10 0 CEAEHN FC(F)(F)COCCn1cccc1CNC1CC1 ZINC000091001436 180083351 /nfs/dbraw/zinc/08/33/51/180083351.db2.gz MPPWUFKTHCRHRF-UHFFFAOYSA-N 0 3 262.275 2.319 10 0 CEAEHN CC(C)CNCc1nccn1Cc1cscn1 ZINC000091002770 180083876 /nfs/dbraw/zinc/08/38/76/180083876.db2.gz XKBCBXRLKRWXOA-UHFFFAOYSA-N 0 3 250.371 2.134 10 0 CEAEHN CC(C)CNCc1nccn1CCOC(F)(F)F ZINC000091002807 180084279 /nfs/dbraw/zinc/08/42/79/180084279.db2.gz OBNJCLMOJFVJPN-UHFFFAOYSA-N 0 3 265.279 2.165 10 0 CEAEHN CC(C)C[C@H](NCc1c[nH]c2ncccc12)C(=O)N(C)C ZINC000091016404 180087219 /nfs/dbraw/zinc/08/72/19/180087219.db2.gz YDXHKJJMLMPTRL-AWEZNQCLSA-N 0 3 288.395 2.155 10 0 CEAEHN c1ccc2c(c1)C[C@@H]2c1noc(C[C@H]2CSCCN2)n1 ZINC000091129161 180100957 /nfs/dbraw/zinc/10/09/57/180100957.db2.gz LKGQHZNBSKPSMO-AAEUAGOBSA-N 0 3 287.388 2.005 10 0 CEAEHN COCCNCc1cnn(-c2cc(C)ccn2)c1C1CC1 ZINC000091338405 180136640 /nfs/dbraw/zinc/13/66/40/180136640.db2.gz GDCFACIBKPNKEN-UHFFFAOYSA-N 0 3 286.379 2.189 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1SC[C@@H](C)CO ZINC000091261454 180115756 /nfs/dbraw/zinc/11/57/56/180115756.db2.gz BABSFVVCXIZWRC-NILFDRSVSA-N 0 3 281.421 2.460 10 0 CEAEHN CN(CC(C)(C)C)[C@H](CN)c1cncn1C1CC1 ZINC000091276462 180119791 /nfs/dbraw/zinc/11/97/91/180119791.db2.gz VOXQQFDECFPJDA-GFCCVEGCSA-N 0 3 250.390 2.196 10 0 CEAEHN Cc1cc([C@@H](C)NC(=O)C[C@H]2CSCCN2)c(C)o1 ZINC000091290659 180121936 /nfs/dbraw/zinc/12/19/36/180121936.db2.gz XWJXRHGHUBGAED-PWSUYJOCSA-N 0 3 282.409 2.169 10 0 CEAEHN CC(C)(C)NCc1cncc(OC[C@@H]2CCCCO2)n1 ZINC000091433422 180154568 /nfs/dbraw/zinc/15/45/68/180154568.db2.gz YVMLXABFVIYLGT-ZDUSSCGKSA-N 0 3 279.384 2.313 10 0 CEAEHN COc1cc(CNC2CC(O)C2)c(SC)cc1OC ZINC000091449518 180157967 /nfs/dbraw/zinc/15/79/67/180157967.db2.gz AUBWCIQUAAGNGU-UHFFFAOYSA-N 0 3 283.393 2.039 10 0 CEAEHN N[C@@H](CNC(=O)c1ccncc1Cl)c1ccccc1 ZINC000091456875 180160260 /nfs/dbraw/zinc/16/02/60/180160260.db2.gz IHXBCTMDLHJZEG-ZDUSSCGKSA-N 0 3 275.739 2.165 10 0 CEAEHN Cc1cc([C@@H]2[C@@H](CN)OCCN2C)ccc1Br ZINC000091475417 180165731 /nfs/dbraw/zinc/16/57/31/180165731.db2.gz UUOMLLGSUSSNFP-CHWSQXEVSA-N 0 3 299.212 2.088 10 0 CEAEHN Cc1ncccc1NC(=O)C[C@@H](N)c1ccccc1 ZINC000091497080 180172370 /nfs/dbraw/zinc/17/23/70/180172370.db2.gz TXWSDVLLSWLNGP-CYBMUJFWSA-N 0 3 255.321 2.419 10 0 CEAEHN CC(=O)C(C)(C)CN1CCN(Cc2ccccc2)CC1 ZINC000091401858 180147359 /nfs/dbraw/zinc/14/73/59/180147359.db2.gz RICKXRPYPWXRMX-UHFFFAOYSA-N 0 3 274.408 2.419 10 0 CEAEHN COc1ccc(CN(C)C)cc1NCc1cnco1 ZINC000091409740 180148342 /nfs/dbraw/zinc/14/83/42/180148342.db2.gz CDYMJWBCSMHPFP-UHFFFAOYSA-N 0 3 261.325 2.357 10 0 CEAEHN CC(C)CCN(C)c1cncc(CNC(C)C)n1 ZINC000091420552 180150543 /nfs/dbraw/zinc/15/05/43/180150543.db2.gz AAWOLDFBXKNCIQ-UHFFFAOYSA-N 0 3 250.390 2.457 10 0 CEAEHN CC(C)c1nn(C)c(N2CC[C@H](N3CCCCC3)C2)c1N ZINC000091557888 180190909 /nfs/dbraw/zinc/19/09/09/180190909.db2.gz DQXWFTYARBHQJF-ZDUSSCGKSA-N 0 3 291.443 2.190 10 0 CEAEHN CC(C)([C@H](N)c1cncc(F)c1)N1CCCCC1 ZINC000091564597 180193279 /nfs/dbraw/zinc/19/32/79/180193279.db2.gz AKYMNMQSSLKYNA-CYBMUJFWSA-N 0 3 251.349 2.485 10 0 CEAEHN CC(C)([C@H](N)c1ccc(Cl)cc1)N1CCOCC1 ZINC000091566389 180193904 /nfs/dbraw/zinc/19/39/04/180193904.db2.gz HCRQEUHYZYUQTN-CYBMUJFWSA-N 0 3 268.788 2.451 10 0 CEAEHN CN[C@H](c1ccccc1F)C(C)(C)N1CCOCC1 ZINC000091566592 180193910 /nfs/dbraw/zinc/19/39/10/180193910.db2.gz ZBRDKHJZCQAYJV-CQSZACIVSA-N 0 3 266.360 2.197 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccc(OC)c(F)c1)N1CCOCC1 ZINC000091612162 180207295 /nfs/dbraw/zinc/20/72/95/180207295.db2.gz HYVCNWFLJVRDSB-HZPDHXFCSA-N 0 3 296.386 2.335 10 0 CEAEHN CN[C@@H](c1ccc(OC)cc1OC)C(C)(C)N(C)C ZINC000091528582 180180917 /nfs/dbraw/zinc/18/09/17/180180917.db2.gz LRFOBEGRCPQKQD-AWEZNQCLSA-N 0 3 266.385 2.305 10 0 CEAEHN CC[C@@H](C)N1C(=O)C[C@@H](N[C@@H](C)Cc2ccsc2)C1=O ZINC000105034589 186038446 /nfs/dbraw/zinc/03/84/46/186038446.db2.gz JQRWGTOJABLCOW-DMDPSCGWSA-N 0 3 294.420 2.195 10 0 CEAEHN N[C@@H](c1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000091642951 180213878 /nfs/dbraw/zinc/21/38/78/180213878.db2.gz BYAHRPYOHVERML-HNNXBMFYSA-N 0 3 260.381 2.331 10 0 CEAEHN CN[C@H](c1cncc(F)c1)C1(N2CCOCC2)CCCC1 ZINC000091646190 180215141 /nfs/dbraw/zinc/21/51/41/180215141.db2.gz QSYMJXROTZGYFP-OAHLLOKOSA-N 0 3 293.386 2.126 10 0 CEAEHN CN[C@H](c1cnccn1)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652601 180217001 /nfs/dbraw/zinc/21/70/01/180217001.db2.gz RORGFHMMQOWEIB-YUELXQCFSA-N 0 3 262.401 2.248 10 0 CEAEHN Cc1cnc(Cl)nc1N[C@@H](CN(C)C)C(C)C ZINC000091658487 180218780 /nfs/dbraw/zinc/21/87/80/180218780.db2.gz WGGIAOPJSALZSE-JTQLQIEISA-N 0 3 256.781 2.437 10 0 CEAEHN Cc1cccc2c1OCCC[C@H]2NC[C@H]1CN(C)CCO1 ZINC000091667513 180223611 /nfs/dbraw/zinc/22/36/11/180223611.db2.gz WUCUXCJSTIZJJT-GOEBONIOSA-N 0 3 290.407 2.129 10 0 CEAEHN CN[C@H](c1ccc2ccccc2c1)[C@H]1CN(C)CCO1 ZINC000091717574 180232913 /nfs/dbraw/zinc/23/29/13/180232913.db2.gz VCTHAAQHYGMVQP-IAGOWNOFSA-N 0 3 270.376 2.431 10 0 CEAEHN CCN[C@@H](c1ccc(OC(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091718320 180233235 /nfs/dbraw/zinc/23/32/35/180233235.db2.gz XCIBQDMMNGMJPG-SJORKVTESA-N 0 3 292.423 2.455 10 0 CEAEHN CCN[C@H](c1cc(C)cc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718231 180233367 /nfs/dbraw/zinc/23/33/67/180233367.db2.gz TZTXYGWAWPPCFZ-JKSUJKDBSA-N 0 3 262.397 2.285 10 0 CEAEHN CCN[C@H](c1ccccc1OCC)[C@@H]1CN(C)CCO1 ZINC000091718791 180233640 /nfs/dbraw/zinc/23/36/40/180233640.db2.gz ULLXLEIVKSPFTN-JKSUJKDBSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@@H](c1cc(F)ccc1C)[C@@H]1CN(C)CCO1 ZINC000091718754 180233750 /nfs/dbraw/zinc/23/37/50/180233750.db2.gz NPKXCEQAWGPVML-GJZGRUSLSA-N 0 3 266.360 2.115 10 0 CEAEHN CCCN[C@H](c1cccs1)[C@@H]1CN(C)CCO1 ZINC000091719539 180234073 /nfs/dbraw/zinc/23/40/73/180234073.db2.gz WKPLMHNIAGTBPN-AAEUAGOBSA-N 0 3 254.399 2.119 10 0 CEAEHN COc1ccc(Cl)cc1[C@H](N)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720663 180235446 /nfs/dbraw/zinc/23/54/46/180235446.db2.gz PJSWCSRBIQTXPM-DFBGVHRSSA-N 0 3 296.798 2.212 10 0 CEAEHN C[C@H](N)c1cccn1CC(=O)Nc1cccc(F)c1 ZINC000091800297 180259488 /nfs/dbraw/zinc/25/94/88/180259488.db2.gz BFDAKPHWUWSALO-JTQLQIEISA-N 0 3 261.300 2.286 10 0 CEAEHN CNCc1ncoc1-c1cc(OC)c(OC)c(OC)c1 ZINC000091957668 180292294 /nfs/dbraw/zinc/29/22/94/180292294.db2.gz ZJABCFGAFHMQTF-UHFFFAOYSA-N 0 3 278.308 2.087 10 0 CEAEHN NC[C@]1(C2(O)CCC(=O)CC2)CCCc2ccccc21 ZINC000091924550 180287491 /nfs/dbraw/zinc/28/74/91/180287491.db2.gz QZHGQTAZCZEOLZ-MRXNPFEDSA-N 0 3 273.376 2.094 10 0 CEAEHN CC1CCN(C(=O)N[C@@H](CN)c2ccccc2)CC1 ZINC000091972833 180296275 /nfs/dbraw/zinc/29/62/75/180296275.db2.gz LWFSUJYTXIBOQA-AWEZNQCLSA-N 0 3 261.369 2.128 10 0 CEAEHN CC(C)(C)CC(C)(C)N[C@@H]1CC(=O)N(C2CC2)C1=O ZINC000105647785 186067372 /nfs/dbraw/zinc/06/73/72/186067372.db2.gz RRVGUUZVQZGRKF-LLVKDONJSA-N 0 3 266.385 2.081 10 0 CEAEHN CCCCCNC(=O)[C@H](C)Oc1ccc(C)nc1CNC ZINC000091994460 180301160 /nfs/dbraw/zinc/30/11/60/180301160.db2.gz FXWHVUHFSPZXLH-ZDUSSCGKSA-N 0 3 293.411 2.183 10 0 CEAEHN Cc1ccc(OCC(=O)NCC(C)C)c(CNC(C)C)n1 ZINC000091995353 180302255 /nfs/dbraw/zinc/30/22/55/180302255.db2.gz CFZIDXAWQLUNTB-UHFFFAOYSA-N 0 3 293.411 2.039 10 0 CEAEHN CCCNCc1nc(C)ccc1OCC(=O)NC(C)(C)C ZINC000091995248 180302261 /nfs/dbraw/zinc/30/22/61/180302261.db2.gz BHYRMYDXZZMBEY-UHFFFAOYSA-N 0 3 293.411 2.183 10 0 CEAEHN C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(N)c2)C[C@@H]1C ZINC000092080954 180319261 /nfs/dbraw/zinc/31/92/61/180319261.db2.gz ADRUKGNCRBWESZ-UWVGGRQHSA-N 0 3 281.787 2.449 10 0 CEAEHN CC(C)(N)c1cn(C[C@@H]2Cc3ccccc3S2)nn1 ZINC000092270307 180355982 /nfs/dbraw/zinc/35/59/82/180355982.db2.gz YCDBMZOXVWXMTN-NSHDSACASA-N 0 3 274.393 2.189 10 0 CEAEHN CN[C@H](CN1C(=O)C[C@@H](C)C1=O)c1cc2ccccc2o1 ZINC000105832505 186076053 /nfs/dbraw/zinc/07/60/53/186076053.db2.gz GMBCHMROBHDBCF-ZYHUDNBSSA-N 0 3 286.331 2.088 10 0 CEAEHN COc1cccc([C@@H](CN)NCc2ccccc2)c1 ZINC000106024187 186098178 /nfs/dbraw/zinc/09/81/78/186098178.db2.gz XYOWXZDDQYHJAD-MRXNPFEDSA-N 0 3 256.349 2.485 10 0 CEAEHN COc1ccc(OC)c([C@H](CN)NCc2ccccc2)c1 ZINC000106024078 186098355 /nfs/dbraw/zinc/09/83/55/186098355.db2.gz HJCMBBYPNWWNOP-INIZCTEOSA-N 0 3 286.375 2.493 10 0 CEAEHN COc1ccc([C@H](CN)NCc2ccccc2)c(OC)c1 ZINC000106024125 186098367 /nfs/dbraw/zinc/09/83/67/186098367.db2.gz NOUSXWVIVPRDOE-INIZCTEOSA-N 0 3 286.375 2.493 10 0 CEAEHN CC[C@H]1CN(Cc2cccc(F)c2)CCN1C[C@@H](C)O ZINC000106103934 186103100 /nfs/dbraw/zinc/10/31/00/186103100.db2.gz UDHRJHWNQIKUSK-CJNGLKHVSA-N 0 3 280.387 2.103 10 0 CEAEHN Cc1nn(C)c(C)c1CN1CCC(Cn2cccn2)CC1 ZINC000105887281 186084968 /nfs/dbraw/zinc/08/49/68/186084968.db2.gz WQGWVGXQMZZNRE-UHFFFAOYSA-N 0 3 287.411 2.146 10 0 CEAEHN CCC[S@@](=O)[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092388855 180374781 /nfs/dbraw/zinc/37/47/81/180374781.db2.gz CQPHAYKNYTYRKI-GLJUWKHASA-N 0 3 267.394 2.169 10 0 CEAEHN COc1ccc2c(c1)-c1[nH]c(CNC3CC3)nc1CC2 ZINC000092389117 180375270 /nfs/dbraw/zinc/37/52/70/180375270.db2.gz QKSVKHOKZNTYLB-UHFFFAOYSA-N 0 3 269.348 2.436 10 0 CEAEHN CC(C)[C@H]1CO[C@@H](c2ccc3c(c2)OCCO3)CN1 ZINC000092403381 180378482 /nfs/dbraw/zinc/37/84/82/180378482.db2.gz VSERRWYEDJBIOB-IUODEOHRSA-N 0 3 263.337 2.143 10 0 CEAEHN Cc1ccc(CN)cc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000106595566 186128047 /nfs/dbraw/zinc/12/80/47/186128047.db2.gz GGPWCFSDXGARDN-BETUJISGSA-N 0 3 272.348 2.133 10 0 CEAEHN Cc1ccc(CN)cc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000106595570 186128118 /nfs/dbraw/zinc/12/81/18/186128118.db2.gz GGPWCFSDXGARDN-CHWSQXEVSA-N 0 3 272.348 2.133 10 0 CEAEHN Cc1cccc(CN(CCC(N)=S)C(C)C)n1 ZINC000092429212 180384408 /nfs/dbraw/zinc/38/44/08/180384408.db2.gz FQYKEQLBEVBGGG-UHFFFAOYSA-N 0 3 251.399 2.277 10 0 CEAEHN CC(=O)NCCNCc1c[nH]c2cc(Cl)ccc12 ZINC000108647174 186225342 /nfs/dbraw/zinc/22/53/42/186225342.db2.gz QSYPKNLLZFUQCG-UHFFFAOYSA-N 0 3 265.744 2.047 10 0 CEAEHN NCc1cc(OC[C@@H]2CCOC2)c2ccccc2n1 ZINC000109590746 186265125 /nfs/dbraw/zinc/26/51/25/186265125.db2.gz SWLWQNGFHGKBEC-LLVKDONJSA-N 0 3 258.321 2.109 10 0 CEAEHN CN(C)C[C@@H](NC(=O)c1cc[nH]c1)c1ccccc1 ZINC000109250016 186245868 /nfs/dbraw/zinc/24/58/68/186245868.db2.gz KZANNTFSFYTHIK-CQSZACIVSA-N 0 3 257.337 2.047 10 0 CEAEHN CCC[C@@H](C(N)=S)N1CCN(CCC(C)(C)C)CC1 ZINC000109470066 186253529 /nfs/dbraw/zinc/25/35/29/186253529.db2.gz IYRZEYGFLMUXNI-ZDUSSCGKSA-N 0 3 285.501 2.495 10 0 CEAEHN CCCCCCN1CCN([C@H](CC)C(N)=S)CC1 ZINC000109469901 186253691 /nfs/dbraw/zinc/25/36/91/186253691.db2.gz VDHWRPZLHAQBHN-CYBMUJFWSA-N 0 3 271.474 2.249 10 0 CEAEHN CCC[C@@H](C(N)=S)N1CCN(C[C@@H](C)CC)CC1 ZINC000109470205 186254645 /nfs/dbraw/zinc/25/46/45/186254645.db2.gz YVHZSAXIKLNGDC-STQMWFEESA-N 0 3 271.474 2.105 10 0 CEAEHN CC[C@@H](N)[C@@H](c1sccc1C)N1CCNC(=O)C1(C)C ZINC000110653807 186310943 /nfs/dbraw/zinc/31/09/43/186310943.db2.gz HGAUECIIQCTLQU-NEPJUHHUSA-N 0 3 295.452 2.045 10 0 CEAEHN COC(=O)[C@H](CN(CCC(C)C)C1CC1)NC(C)C ZINC000109999568 186281987 /nfs/dbraw/zinc/28/19/87/186281987.db2.gz FHKGWORVLOHNFK-AWEZNQCLSA-N 0 3 270.417 2.037 10 0 CEAEHN Clc1cc(CNC2CC2)cnc1O[C@@H]1CCOC1 ZINC000110532690 186302046 /nfs/dbraw/zinc/30/20/46/186302046.db2.gz XKLOKRCYEMZCFT-LLVKDONJSA-N 0 3 268.744 2.155 10 0 CEAEHN Cc1cc(C)c(CN)c(Oc2ccccc2CO)n1 ZINC000110992361 186339882 /nfs/dbraw/zinc/33/98/82/186339882.db2.gz AOGYGLCDVSDNJS-UHFFFAOYSA-N 0 3 258.321 2.442 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc(C)s2)CCN1C ZINC000110703960 186313597 /nfs/dbraw/zinc/31/35/97/186313597.db2.gz VLSCPXDKIHWWQH-OLZOCXBDSA-N 0 3 267.442 2.082 10 0 CEAEHN CN1CCN(Cc2cc(N)ccc2Cl)CC1(C)C ZINC000110704429 186313829 /nfs/dbraw/zinc/31/38/29/186313829.db2.gz IWOTYWXRSWOXDJ-UHFFFAOYSA-N 0 3 267.804 2.448 10 0 CEAEHN CS(=O)(=O)CCS[C@H](CN)c1cccc(Cl)c1 ZINC000111003958 186340976 /nfs/dbraw/zinc/34/09/76/186340976.db2.gz SCJVRKZXJAVWCV-LLVKDONJSA-N 0 3 293.841 2.118 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCN(C)C(C)(C)C2)s1 ZINC000110758810 186320952 /nfs/dbraw/zinc/32/09/52/186320952.db2.gz DMEDAUCWFLHDMY-LLVKDONJSA-N 0 3 282.457 2.344 10 0 CEAEHN CC(=O)c1sc(N(C)CCCN(C)C)nc1C ZINC000111151227 186360383 /nfs/dbraw/zinc/36/03/83/186360383.db2.gz HEPNOVNRUHHAOE-UHFFFAOYSA-N 0 3 255.387 2.042 10 0 CEAEHN Cc1ccc(C(=O)[C@H](C)N(C)CCN(C)C)cc1C ZINC000111139671 186358079 /nfs/dbraw/zinc/35/80/79/186358079.db2.gz CKTFPNPZLDQKJC-AWEZNQCLSA-N 0 3 262.397 2.368 10 0 CEAEHN CC[C@@H](NC(=O)c1ccc(CN)cn1)c1ccccc1 ZINC000111282279 186387845 /nfs/dbraw/zinc/38/78/45/186387845.db2.gz APTHDBGXXJIMNH-CQSZACIVSA-N 0 3 269.348 2.421 10 0 CEAEHN Cc1ccccc1[C@H](C)NC(=O)c1ccc(CN)cn1 ZINC000111281851 186387890 /nfs/dbraw/zinc/38/78/90/186387890.db2.gz BFVXEHMWAZOGFJ-LBPRGKRZSA-N 0 3 269.348 2.340 10 0 CEAEHN NCc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)nc1 ZINC000111281612 186388026 /nfs/dbraw/zinc/38/80/26/186388026.db2.gz ZNJJLWNIOFXEJL-KBPBESRZSA-N 0 3 273.380 2.193 10 0 CEAEHN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(CN)cn1 ZINC000111282020 186388483 /nfs/dbraw/zinc/38/84/83/186388483.db2.gz GMFKWSNXGPCYGE-SMDDNHRTSA-N 0 3 261.369 2.191 10 0 CEAEHN NCc1ccc(C(=O)Nc2cccc3ncccc32)nc1 ZINC000111281223 186389074 /nfs/dbraw/zinc/38/90/74/186389074.db2.gz NACKSTYTMVNVHY-UHFFFAOYSA-N 0 3 278.315 2.341 10 0 CEAEHN CCCC[C@@H](CC)CN1CCC(=O)[C@H](C(=O)OC)C1 ZINC000070460766 363088104 /nfs/dbraw/zinc/08/81/04/363088104.db2.gz LTRLWTREJPLHDV-CHWSQXEVSA-N 0 3 269.385 2.267 10 0 CEAEHN CC(C)[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000121987455 187008754 /nfs/dbraw/zinc/00/87/54/187008754.db2.gz OLIBJDLRTDOKNP-CHWSQXEVSA-N 0 3 269.410 2.483 10 0 CEAEHN CC(C)n1cccc1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000121997930 187009204 /nfs/dbraw/zinc/00/92/04/187009204.db2.gz XXIZFFCLADZRKF-UONOGXRCSA-N 0 3 275.396 2.378 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1ccccc1F)N1CCOCC1 ZINC000123210978 187078158 /nfs/dbraw/zinc/07/81/58/187078158.db2.gz CPJSFUCZQLSCRQ-STQMWFEESA-N 0 3 266.360 2.197 10 0 CEAEHN CC[C@H](O)CN1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000123569663 187099481 /nfs/dbraw/zinc/09/94/81/187099481.db2.gz ABFFCXAMHMORCU-IDOMTICXSA-N 0 3 292.398 2.227 10 0 CEAEHN CC(C)c1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)no1 ZINC000123992811 187117800 /nfs/dbraw/zinc/11/78/00/187117800.db2.gz LXFXPIYXMFAFFA-YPMHNXCESA-N 0 3 279.384 2.257 10 0 CEAEHN COCc1nc(CNC[C@H]2CCO[C@H](C)C2)cs1 ZINC000678361956 539833611 /nfs/dbraw/zinc/83/36/11/539833611.db2.gz ORDPPWKXBXZCED-MNOVXSKESA-N 0 3 270.398 2.194 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2sc(C)nc2C)C1 ZINC000252638152 539883707 /nfs/dbraw/zinc/88/37/07/539883707.db2.gz IMDVGGKVFLWMBM-ZWNOBZJWSA-N 0 3 283.441 2.131 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000252731047 539896725 /nfs/dbraw/zinc/89/67/25/539896725.db2.gz OAMSBSGGVREEMR-TZMCWYRMSA-N 0 3 296.386 2.206 10 0 CEAEHN CC[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000154939197 188171539 /nfs/dbraw/zinc/17/15/39/188171539.db2.gz YEEXEPKJSJMXSZ-UONOGXRCSA-N 0 3 274.343 2.473 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000155625808 188217261 /nfs/dbraw/zinc/21/72/61/188217261.db2.gz KXASRPQXCMUJOC-HZMBPMFUSA-N 0 3 282.334 2.423 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccnc2Cl)C1 ZINC000155356434 188200849 /nfs/dbraw/zinc/20/08/49/188200849.db2.gz JRBIRMXSJJPRRC-PWSUYJOCSA-N 0 3 281.787 2.194 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)c2cc(Cl)ccn2)[C@@H](C)C1 ZINC000158867960 188398368 /nfs/dbraw/zinc/39/83/68/188398368.db2.gz MTCBLNHBHWPFTH-GWCFXTLKSA-N 0 3 281.787 2.194 10 0 CEAEHN N[C@H]1C[C@@H](C(F)(F)F)S(=O)(=O)c2cc(Cl)ccc21 ZINC000675060137 540079930 /nfs/dbraw/zinc/07/99/30/540079930.db2.gz SIVLJHBXXYVLTJ-CBAPKCEASA-N 0 3 299.701 2.448 10 0 CEAEHN Cc1nc(C2=C[C@@H](N)CN(C(=O)OC(C)(C)C)C2)cs1 ZINC000675077547 540118499 /nfs/dbraw/zinc/11/84/99/540118499.db2.gz GBYNASFPTWSDPN-LLVKDONJSA-N 0 3 295.408 2.413 10 0 CEAEHN C[C@@H]1OCC[C@@]1(N)c1cscc1Br ZINC000575560946 366296332 /nfs/dbraw/zinc/29/63/32/366296332.db2.gz LYZKWNIZYMSDFR-RCOVLWMOSA-N 0 3 262.172 2.473 10 0 CEAEHN CN(C[C@@H]1OCCc2ccccc21)[C@@H]1CCC[C@H]1O ZINC000671715931 540491357 /nfs/dbraw/zinc/49/13/57/540491357.db2.gz DMWOTDGTIQYVLG-OAGGEKHMSA-N 0 3 261.365 2.146 10 0 CEAEHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)C(=O)Nc1ccccc1 ZINC000667859528 540524626 /nfs/dbraw/zinc/52/46/26/540524626.db2.gz RJHWBSTYWFMUSN-TUKIKUTGSA-N 0 3 274.364 2.171 10 0 CEAEHN C/C=C(\C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000685939281 540635012 /nfs/dbraw/zinc/63/50/12/540635012.db2.gz YNDLGRIKWYJKML-JMBCATMQSA-N 0 3 276.355 2.435 10 0 CEAEHN Cc1ccc([C@@H](C)NC[C@H](O)CN2CCCCC2)o1 ZINC000151338334 366640333 /nfs/dbraw/zinc/64/03/33/366640333.db2.gz ASMPRWBLUXYQQQ-KGLIPLIRSA-N 0 3 266.385 2.085 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1cccc(OC)c1 ZINC000176963767 189017297 /nfs/dbraw/zinc/01/72/97/189017297.db2.gz XTZKFTDBGNASRK-OAHLLOKOSA-N 0 3 290.407 2.180 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCc1c(C)noc1C ZINC000177012141 189020786 /nfs/dbraw/zinc/02/07/86/189020786.db2.gz ODDSCVDFQYBVOQ-CQSZACIVSA-N 0 3 293.411 2.167 10 0 CEAEHN CCC[C@H](C)NC(=O)N(C)C[C@@H]1CCCN1CC ZINC000673849753 540700589 /nfs/dbraw/zinc/70/05/89/540700589.db2.gz XLRSIKPPFCSGAT-STQMWFEESA-N 0 3 255.406 2.301 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccccn1 ZINC000177334532 189044366 /nfs/dbraw/zinc/04/43/66/189044366.db2.gz WZYOXKBGYOYCMM-UONOGXRCSA-N 0 3 290.411 2.268 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccsc1 ZINC000177366783 189046290 /nfs/dbraw/zinc/04/62/90/189046290.db2.gz UFYAENSJFRPWQU-CYBMUJFWSA-N 0 3 281.425 2.374 10 0 CEAEHN CCC[C@@H](C(=O)N[C@@H]1CCOc2ccc(F)cc21)N(C)C ZINC000179260920 189181149 /nfs/dbraw/zinc/18/11/49/189181149.db2.gz NFKNXNGKRFQLAD-KGLIPLIRSA-N 0 3 294.370 2.496 10 0 CEAEHN CCC[C@H](C(=O)NCCc1ccc2c(c1)CCO2)N(C)C ZINC000179329370 189186305 /nfs/dbraw/zinc/18/63/05/189186305.db2.gz PTEGFXIBRQJYIC-OAHLLOKOSA-N 0 3 290.407 2.011 10 0 CEAEHN Cc1scc(C(=O)N2CC[C@H](N(C)C)C2)c1C ZINC000179903754 189227222 /nfs/dbraw/zinc/22/72/22/189227222.db2.gz FOYNTCAUCVJMNE-NSHDSACASA-N 0 3 252.383 2.141 10 0 CEAEHN Cc1cc(C)c(CC(=O)N2CC[C@H](N(C)C)C2)c(C)c1 ZINC000179903792 189227260 /nfs/dbraw/zinc/22/72/60/189227260.db2.gz IJDUXFJPFHHGPY-HNNXBMFYSA-N 0 3 274.408 2.317 10 0 CEAEHN CC[C@H](C)N[C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000179804721 189221343 /nfs/dbraw/zinc/22/13/43/189221343.db2.gz IAIKHMYLWMRGFW-VHSXEESVSA-N 0 3 278.360 2.330 10 0 CEAEHN CC[C@H](C)[NH2+][C@H](CC(C)C)c1nc(-c2nc[n-]n2)no1 ZINC000179804721 189221344 /nfs/dbraw/zinc/22/13/44/189221344.db2.gz IAIKHMYLWMRGFW-VHSXEESVSA-N 0 3 278.360 2.330 10 0 CEAEHN c1nc2n(n1)C[C@@H](N[C@H]1CCSc3ccccc31)CC2 ZINC000180579314 189263288 /nfs/dbraw/zinc/26/32/88/189263288.db2.gz CYWDOHVLOZZGNK-AAEUAGOBSA-N 0 3 286.404 2.420 10 0 CEAEHN CCc1nn(C)cc1CN1CCC(c2ccnn2C)CC1 ZINC000179981480 542259307 /nfs/dbraw/zinc/25/93/07/542259307.db2.gz ZWQZPPMTWQWXRV-UHFFFAOYSA-N 0 3 287.411 2.096 10 0 CEAEHN Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CO)n1 ZINC000008623382 361342659 /nfs/dbraw/zinc/34/26/59/361342659.db2.gz CGTCYNFBUSDQCF-MJBXVCDLSA-N 0 3 299.374 2.215 10 0 CEAEHN CNC(=O)[C@H](C)CN(C)c1ccnc2c(C)cccc12 ZINC000301646367 201114560 /nfs/dbraw/zinc/11/45/60/201114560.db2.gz DDFMRAZATOOBBL-GFCCVEGCSA-N 0 3 271.364 2.362 10 0 CEAEHN Cc1cccc2c(N(C)Cc3nc[nH]n3)ccnc12 ZINC000301683717 201134786 /nfs/dbraw/zinc/13/47/86/201134786.db2.gz SUUCGKRVULZXIY-UHFFFAOYSA-N 0 3 253.309 2.298 10 0 CEAEHN Cc1cccc2c(N(C)Cc3nnc[nH]3)ccnc12 ZINC000301683717 201134790 /nfs/dbraw/zinc/13/47/90/201134790.db2.gz SUUCGKRVULZXIY-UHFFFAOYSA-N 0 3 253.309 2.298 10 0 CEAEHN O=S(=O)(c1ccccc1)c1ccc2c(c1)CNCC2 ZINC000013518454 361428839 /nfs/dbraw/zinc/42/88/39/361428839.db2.gz RFUAYXROQMBXQN-UHFFFAOYSA-N 0 3 273.357 2.165 10 0 CEAEHN CN(C)CC1(c2ccc(Br)cn2)CC1 ZINC000090502334 364060262 /nfs/dbraw/zinc/06/02/62/364060262.db2.gz PNTNAWVHUKRLEE-UHFFFAOYSA-N 0 3 255.159 2.437 10 0 CEAEHN CC(C)(O)CN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000356594939 370767873 /nfs/dbraw/zinc/76/78/73/370767873.db2.gz BMSACGIPXPPTPJ-UHFFFAOYSA-N 0 3 276.424 2.354 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccc(N)c1 ZINC000094440902 364274091 /nfs/dbraw/zinc/27/40/91/364274091.db2.gz PIYFGHNOJZSHCS-CZUORRHYSA-N 0 3 259.397 2.327 10 0 CEAEHN C[C@]1(C(=O)Nc2cc(Br)ccc2[O-])CCC[NH2+]1 ZINC000094573767 364279155 /nfs/dbraw/zinc/27/91/55/364279155.db2.gz MASXBTJFLJJISY-GFCCVEGCSA-N 0 3 299.168 2.235 10 0 CEAEHN CCC[C@H](C(=O)N1CCCC[C@@H](SC)C1)N(C)C ZINC000161780924 283762958 /nfs/dbraw/zinc/76/29/58/283762958.db2.gz GUCPIKIDPPCGQV-CHWSQXEVSA-N 0 3 272.458 2.461 10 0 CEAEHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)COC)c1ccccc1 ZINC000103360143 364643914 /nfs/dbraw/zinc/64/39/14/364643914.db2.gz JRCOPWVIQRZVEA-HOCLYGCPSA-N 0 3 292.423 2.468 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C/c1cncc(F)c1 ZINC000104327534 364693463 /nfs/dbraw/zinc/69/34/63/364693463.db2.gz ZEJPLMMXGGKFGM-LLYBFZRZSA-N 0 3 293.386 2.326 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)CSc1ccccc1 ZINC000113223744 364876331 /nfs/dbraw/zinc/87/63/31/364876331.db2.gz FZOURKHDMSEUEN-UONOGXRCSA-N 0 3 290.432 2.474 10 0 CEAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(N(C)C)cc1 ZINC000113444900 364894547 /nfs/dbraw/zinc/89/45/47/364894547.db2.gz DHOPGGGVETWERB-XJKSGUPXSA-N 0 3 287.407 2.061 10 0 CEAEHN COC(=O)c1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000116313571 365049794 /nfs/dbraw/zinc/04/97/94/365049794.db2.gz ZBSBGYQHDSTUSY-OAHLLOKOSA-N 0 3 299.374 2.196 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)c2cccc3ccccc32)CCO1 ZINC000116790388 365068637 /nfs/dbraw/zinc/06/86/37/365068637.db2.gz MNEMPYCTDQUAGY-OAHLLOKOSA-N 0 3 298.386 2.242 10 0 CEAEHN CC(C)CCC[C@@H](C)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117023674 365088707 /nfs/dbraw/zinc/08/87/07/365088707.db2.gz JUHQSMAZNBDVJU-HUUCEWRRSA-N 0 3 299.459 2.173 10 0 CEAEHN CCS[C@@H](C(=O)N1CCN2CCC[C@H]2C1)C(C)C ZINC000245404273 370814472 /nfs/dbraw/zinc/81/44/72/370814472.db2.gz OREYXSXAWDNIAB-QWHCGFSZSA-N 0 3 270.442 2.071 10 0 CEAEHN CN(Cc1cccc(O)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120243250 365394163 /nfs/dbraw/zinc/39/41/63/365394163.db2.gz HVWVNRBIGGBWQF-OAHLLOKOSA-N 0 3 298.390 2.283 10 0 CEAEHN CC[C@H]1CN(Cc2ccsc2)CCN1C[C@@H](C)O ZINC000120762197 365471465 /nfs/dbraw/zinc/47/14/65/365471465.db2.gz OKIRQWFBGXVHDC-OCCSQVGLSA-N 0 3 268.426 2.025 10 0 CEAEHN Cc1ccc(CC(=O)N[C@H](CC(C)C)CN(C)C)cn1 ZINC000120958392 365502509 /nfs/dbraw/zinc/50/25/09/365502509.db2.gz UWOATLCHFHUWJF-OAHLLOKOSA-N 0 3 277.412 2.025 10 0 CEAEHN COC[C@H](N)c1ccc(OC(F)(F)F)c(F)c1 ZINC000584643897 367174603 /nfs/dbraw/zinc/17/46/03/367174603.db2.gz VUBJKFPOLWXAOL-QMMMGPOBSA-N 0 3 253.195 2.371 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)CC[C@H]1CCCCO1 ZINC000245430699 370818674 /nfs/dbraw/zinc/81/86/74/370818674.db2.gz MATWUDMSMRSQHL-HUUCEWRRSA-N 0 3 282.428 2.278 10 0 CEAEHN CCC[C@@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)N(C)C ZINC000162364653 367154732 /nfs/dbraw/zinc/15/47/32/367154732.db2.gz RATIVJFPLAOBKW-ZDUSSCGKSA-N 0 3 292.358 2.049 10 0 CEAEHN Cc1cccc(CCCN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000245534333 370833320 /nfs/dbraw/zinc/83/33/20/370833320.db2.gz DUTBXOONUQFSLO-DLBZAZTESA-N 0 3 290.451 2.315 10 0 CEAEHN c1ccc2[nH]c(-c3ccc(N4CCNCC4)nc3)nc2c1 ZINC000165527030 367308864 /nfs/dbraw/zinc/30/88/64/367308864.db2.gz PZYHCWMZXVNWHV-UHFFFAOYSA-N 0 3 279.347 2.035 10 0 CEAEHN CN(C)CCOc1ccc2c(c1)CCc1c[nH]nc1-2 ZINC000169320660 367368651 /nfs/dbraw/zinc/36/86/51/367368651.db2.gz LKJQQGAHVVRFBG-UHFFFAOYSA-N 0 3 257.337 2.116 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)CCn2ccc3ccccc32)C1 ZINC000170859231 367433011 /nfs/dbraw/zinc/43/30/11/367433011.db2.gz MWDUDNZIHAFEKW-HNNXBMFYSA-N 0 3 285.391 2.194 10 0 CEAEHN O=C(NCC1(c2ccccc2)CC1)N1CCN2CCC[C@@H]2C1 ZINC000171899710 367635339 /nfs/dbraw/zinc/63/53/39/367635339.db2.gz MWLHKBXXTOYNBQ-MRXNPFEDSA-N 0 3 299.418 2.208 10 0 CEAEHN CC[C@H](O)CN1CCN([C@@H](C)CCc2ccccc2)CC1 ZINC000172355753 367725679 /nfs/dbraw/zinc/72/56/79/367725679.db2.gz JEQDNCKYCWVYGO-WMZOPIPTSA-N 0 3 290.451 2.396 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)cc2C)CCN1C[C@H](C)O ZINC000245767244 370871056 /nfs/dbraw/zinc/87/10/56/370871056.db2.gz QZMDWDSGGPTNBD-YOEHRIQHSA-N 0 3 294.414 2.411 10 0 CEAEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000245857899 370880000 /nfs/dbraw/zinc/88/00/00/370880000.db2.gz NYOAIXMZKAQFFL-FMKPAKJESA-N 0 3 290.407 2.191 10 0 CEAEHN C/C(=C\c1ccccc1)CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245803342 370875173 /nfs/dbraw/zinc/87/51/73/370875173.db2.gz YEPKEDXJSIUJIN-JBAYFQIUSA-N 0 3 288.435 2.477 10 0 CEAEHN c1nc2n(n1)C[C@H](N[C@@H]1CCCOc3ccccc31)CC2 ZINC000180581506 368387768 /nfs/dbraw/zinc/38/77/68/368387768.db2.gz DBTNAFRVHFBHII-TZMCWYRMSA-N 0 3 284.363 2.096 10 0 CEAEHN CC[C@H](O)CN1CCN(CCCc2cccc(C)c2)CC1 ZINC000181122016 368424329 /nfs/dbraw/zinc/42/43/29/368424329.db2.gz PFSVPBYZBNQRFJ-SFHVURJKSA-N 0 3 290.451 2.316 10 0 CEAEHN COC[C@@H](NC[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000181698813 368484249 /nfs/dbraw/zinc/48/42/49/368484249.db2.gz BLNWCOZMMUHIDO-LSDHHAIUSA-N 0 3 281.396 2.140 10 0 CEAEHN O[C@@]12CCCC[C@H]1CN(Cc1cccc3nccn31)CC2 ZINC000246015797 370899982 /nfs/dbraw/zinc/89/99/82/370899982.db2.gz ZKYZMRYLRXYKMW-WMLDXEAASA-N 0 3 285.391 2.461 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCCCCSC)C1 ZINC000184678883 368710618 /nfs/dbraw/zinc/71/06/18/368710618.db2.gz XSSUMDIMNSVTAF-ZDUSSCGKSA-N 0 3 287.473 2.303 10 0 CEAEHN Cc1ccc(C)c(OC[C@@H](O)CN2CCS[C@@H](C)C2)c1 ZINC000246100627 370908289 /nfs/dbraw/zinc/90/82/89/370908289.db2.gz HXIQTNOJWBWXTN-GJZGRUSLSA-N 0 3 295.448 2.480 10 0 CEAEHN CC(C)c1noc([C@H](C)N2CCN3CCCC[C@H]3C2)n1 ZINC000246249809 370936144 /nfs/dbraw/zinc/93/61/44/370936144.db2.gz WISFBVLSMMSKQM-STQMWFEESA-N 0 3 278.400 2.424 10 0 CEAEHN CC[C@H](O)CN1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000185718707 368848410 /nfs/dbraw/zinc/84/84/10/368848410.db2.gz YJMAYIOVXYWBDX-HNNXBMFYSA-N 0 3 299.418 2.436 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@@H](CO)C(C)C)c1C ZINC000348297566 368990893 /nfs/dbraw/zinc/99/08/93/368990893.db2.gz ZQYULPRIXHCFRE-RISCZKNCSA-N 0 3 267.417 2.435 10 0 CEAEHN CC(C)OCCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188075491 369290998 /nfs/dbraw/zinc/29/09/98/369290998.db2.gz ZEAGQQLVBMAEGZ-KBPBESRZSA-N 0 3 269.410 2.181 10 0 CEAEHN CC[C@H](N[C@H]1CCc2ncnn2C1)c1cccc(F)c1 ZINC000188182562 369312270 /nfs/dbraw/zinc/31/22/70/369312270.db2.gz UHGARELNJGDEQW-KBPBESRZSA-N 0 3 274.343 2.473 10 0 CEAEHN CC[C@H](CC(=O)N1CCN2CCC[C@H]2C1)C(C)C ZINC000246361313 370950586 /nfs/dbraw/zinc/95/05/86/370950586.db2.gz FJVJQQZRZZHDMX-KGLIPLIRSA-N 0 3 252.402 2.365 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(Cc2cncc(C)c2)C1 ZINC000189833278 369572545 /nfs/dbraw/zinc/57/25/45/369572545.db2.gz DPCMUFUTXNLIRH-HNNXBMFYSA-N 0 3 285.395 2.381 10 0 CEAEHN CCCCOC[C@H](O)CN(C)[C@@H](C)c1ccccn1 ZINC000195203823 370114671 /nfs/dbraw/zinc/11/46/71/370114671.db2.gz YSOKKHIUPVHILN-UONOGXRCSA-N 0 3 266.385 2.252 10 0 CEAEHN COc1cc(C)nc(CN[C@@H](CC(C)C)CN(C)C)c1 ZINC000214142636 370171306 /nfs/dbraw/zinc/17/13/06/370171306.db2.gz LRLDZOGMWMFLNF-HNNXBMFYSA-N 0 3 279.428 2.465 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000637919770 370171580 /nfs/dbraw/zinc/17/15/80/370171580.db2.gz UEIYCZWEFJGADR-RKDXNWHRSA-N 0 3 256.296 2.140 10 0 CEAEHN Cn1nc(CN[C@@H]2CCCC[C@@H]2CO)c2ccccc21 ZINC000219005477 370216056 /nfs/dbraw/zinc/21/60/56/370216056.db2.gz FHXCRSDTEQNOHI-TZMCWYRMSA-N 0 3 273.380 2.214 10 0 CEAEHN C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1[NH+](C)C ZINC000235675133 370573846 /nfs/dbraw/zinc/57/38/46/370573846.db2.gz OOJALXGIJMJYAU-TVQRCGJNSA-N 0 3 282.771 2.068 10 0 CEAEHN CCC[C@H](N)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000236796688 370630345 /nfs/dbraw/zinc/63/03/45/370630345.db2.gz FBLVOURQGXLPRF-CVEARBPZSA-N 0 3 290.407 2.322 10 0 CEAEHN COCCCCN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000246769621 371007542 /nfs/dbraw/zinc/00/75/42/371007542.db2.gz VAQDVXDKSHNVTH-IHRRRGAJSA-N 0 3 269.385 2.219 10 0 CEAEHN Cc1nnsc1CNC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000639134403 371012473 /nfs/dbraw/zinc/01/24/73/371012473.db2.gz ADFZQCQRRDBYQY-DOFRTFSJSA-N 0 3 255.387 2.140 10 0 CEAEHN Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000247049584 371054139 /nfs/dbraw/zinc/05/41/39/371054139.db2.gz IGZDGBRAVDFLHL-HIFRSBDPSA-N 0 3 260.381 2.454 10 0 CEAEHN Cc1ccc2oc(C(=O)N3C[C@H]4CCCN4C[C@H]3C)cc2n1 ZINC000247100932 371064553 /nfs/dbraw/zinc/06/45/53/371064553.db2.gz IKUVAEZRWFXESV-CHWSQXEVSA-N 0 3 299.374 2.445 10 0 CEAEHN C[C@H](O)CN1CCN([C@@H](C)c2ccccc2)C[C@@H]1C ZINC000247872335 371143662 /nfs/dbraw/zinc/14/36/62/371143662.db2.gz XTGZEVCWMGMWIW-KKUMJFAQSA-N 0 3 262.397 2.135 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCCS1 ZINC000247410224 371104788 /nfs/dbraw/zinc/10/47/88/371104788.db2.gz RRSYKMTYLGELAU-QWHCGFSZSA-N 0 3 285.457 2.008 10 0 CEAEHN COCCN1CCN(CCOc2cccc(C)c2)C[C@@H]1C ZINC000247437403 371108237 /nfs/dbraw/zinc/10/82/37/371108237.db2.gz ZJTXOVALYMDXKV-INIZCTEOSA-N 0 3 292.423 2.026 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000247485072 371114067 /nfs/dbraw/zinc/11/40/67/371114067.db2.gz TUBJKUGWXXMDKP-QWRGUYRKSA-N 0 3 279.771 2.044 10 0 CEAEHN C[C@@H](Cc1cccs1)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247505834 371117722 /nfs/dbraw/zinc/11/77/22/371117722.db2.gz ONATWCXXFCYQOO-STQMWFEESA-N 0 3 293.436 2.169 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)c(F)c2)CCN1C[C@H](C)O ZINC000247590870 371128516 /nfs/dbraw/zinc/12/85/16/371128516.db2.gz JOUQFPDOIWLYRG-JSGCOSHPSA-N 0 3 298.377 2.242 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)N(C)Cc1ccccc1 ZINC000248421084 371191440 /nfs/dbraw/zinc/19/14/40/371191440.db2.gz AOPVHQLPFZDRLY-ZBFHGGJFSA-N 0 3 287.407 2.407 10 0 CEAEHN COc1ccccc1OCCN1CCN2CCCC[C@H]2C1 ZINC000248325006 371174537 /nfs/dbraw/zinc/17/45/37/371174537.db2.gz AZIOYLMXPQHSEG-HNNXBMFYSA-N 0 3 290.407 2.244 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@H]2C1)c1ccc(F)cc1F ZINC000248331257 371176045 /nfs/dbraw/zinc/17/60/45/371176045.db2.gz DWWWGKBCSRTKKW-BBRMVZONSA-N 0 3 296.361 2.168 10 0 CEAEHN c1ccc2oc(CN3CCN4CCCC[C@H]4C3)nc2c1 ZINC000248343726 371177772 /nfs/dbraw/zinc/17/77/72/371177772.db2.gz KQOPKHULFGKWHO-ZDUSSCGKSA-N 0 3 271.364 2.498 10 0 CEAEHN CN(CCN(C)C[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000248495918 371202824 /nfs/dbraw/zinc/20/28/24/371202824.db2.gz QNLOTARIVXXNTL-MRXNPFEDSA-N 0 3 280.387 2.368 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H]1CCC=CO1 ZINC000248824564 371250426 /nfs/dbraw/zinc/25/04/26/371250426.db2.gz FUJIBLNRUMOTIZ-XGUBFFRZSA-N 0 3 279.380 2.485 10 0 CEAEHN O[C@H](Cc1ccccc1)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000249717404 371354514 /nfs/dbraw/zinc/35/45/14/371354514.db2.gz JNZMOMZBOQPZQY-BRWVUGGUSA-N 0 3 275.392 2.233 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1cccc(N)c1 ZINC000251828407 371418630 /nfs/dbraw/zinc/41/86/30/371418630.db2.gz PIYFGHNOJZSHCS-BBRMVZONSA-N 0 3 259.397 2.327 10 0 CEAEHN O=C(/C=C\c1ccnc(Cl)c1)N1CCN2CCC[C@@H]2C1 ZINC000255238475 371569554 /nfs/dbraw/zinc/56/95/54/371569554.db2.gz JVNSFKVMCFNPRI-DHCBQETCSA-N 0 3 291.782 2.055 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC/C=C\c2ccccc2)C1 ZINC000255331920 371577906 /nfs/dbraw/zinc/57/79/06/371577906.db2.gz RPEQEIABQLSJPR-CXSQMQJXSA-N 0 3 287.407 2.483 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000263523269 371940107 /nfs/dbraw/zinc/94/01/07/371940107.db2.gz SAXHASYOILMSFB-FKQQDJLNSA-N 0 3 282.428 2.338 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000262650860 371891192 /nfs/dbraw/zinc/89/11/92/371891192.db2.gz WSYVMKBBAMTVHW-JOYOIKCWSA-N 0 3 274.324 2.049 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000262712831 371898597 /nfs/dbraw/zinc/89/85/97/371898597.db2.gz SDVJRZIAHCOLII-MFKMUULPSA-N 0 3 252.358 2.153 10 0 CEAEHN CCCOc1ccc([C@@H](C)NCCn2cncn2)cc1 ZINC000268787510 372222134 /nfs/dbraw/zinc/22/21/34/372222134.db2.gz ATQBHBKISKSYBP-CYBMUJFWSA-N 0 3 274.368 2.418 10 0 CEAEHN C[C@H](NCCn1cncn1)c1cnc2ccsc2c1 ZINC000268794947 372226934 /nfs/dbraw/zinc/22/69/34/372226934.db2.gz DIESLZFGBCSNSB-JTQLQIEISA-N 0 3 273.365 2.239 10 0 CEAEHN CC[C@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1O ZINC000270493588 372812473 /nfs/dbraw/zinc/81/24/73/372812473.db2.gz AXFPBXDRSWBHPC-BLLLJJGKSA-N 0 3 256.349 2.438 10 0 CEAEHN CC(C)CCN(CCC(C)C)C(=O)[C@@H]1CNCCOC1 ZINC000643615613 373222994 /nfs/dbraw/zinc/22/29/94/373222994.db2.gz RMJLNECAAASPEO-OAHLLOKOSA-N 0 3 284.444 2.143 10 0 CEAEHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CNCCOC1 ZINC000643634967 373226729 /nfs/dbraw/zinc/22/67/29/373226729.db2.gz PIUUSJNMULVWBH-YPMHNXCESA-N 0 3 296.798 2.095 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2cccc3cccnc32)C[C@@H]1C ZINC000247169168 220218834 /nfs/dbraw/zinc/21/88/34/220218834.db2.gz MUNOEDGZSHNXGU-GJZGRUSLSA-N 0 3 299.418 2.122 10 0 CEAEHN CC1(C)CN[C@@H]1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000645295926 373975013 /nfs/dbraw/zinc/97/50/13/373975013.db2.gz KSNFDKDGNATXOP-LPEHRKFASA-N 0 3 278.318 2.222 10 0 CEAEHN CC[C@@](C)(O)CN1CCC(c2nccs2)CC1 ZINC000372504862 374145782 /nfs/dbraw/zinc/14/57/82/374145782.db2.gz OTFMRRBAKSEWCP-CYBMUJFWSA-N 0 3 254.399 2.484 10 0 CEAEHN CCN1CC[C@@H](NCc2nn(CC)c3ccccc23)C1 ZINC000389208860 375300971 /nfs/dbraw/zinc/30/09/71/375300971.db2.gz BGTZUEPUWUYTFQ-CYBMUJFWSA-N 0 3 272.396 2.240 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000282130570 375408984 /nfs/dbraw/zinc/40/89/84/375408984.db2.gz GGGJGAOOVLMOCX-CLLJXQQHSA-N 0 3 264.369 2.389 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cc(Cl)cc2c1OCC2 ZINC000282279938 375446600 /nfs/dbraw/zinc/44/66/00/375446600.db2.gz IBYQTPVDTNQQOD-TVQRCGJNSA-N 0 3 294.782 2.032 10 0 CEAEHN CSc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282299492 375451434 /nfs/dbraw/zinc/45/14/34/375451434.db2.gz JQJDRCPCWQZCOZ-GXFFZTMASA-N 0 3 264.394 2.165 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC(OC2CCC2)CC1 ZINC000419295469 376433884 /nfs/dbraw/zinc/43/38/84/376433884.db2.gz CDLBUMQETNPLGT-AWEZNQCLSA-N 0 3 285.428 2.198 10 0 CEAEHN C[C@@H]1CN(C)C[C@@]1(O)c1ccc(Br)cc1 ZINC000521401983 379529985 /nfs/dbraw/zinc/52/99/85/379529985.db2.gz UPXSLLBSSCNPTI-SKDRFNHKSA-N 0 3 270.170 2.218 10 0 CEAEHN CSC[C@@H](O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000187860000 183664804 /nfs/dbraw/zinc/66/48/04/183664804.db2.gz BBIZKCIDNMAFDR-NEPJUHHUSA-N 0 3 286.466 2.355 10 0 CEAEHN C[C@@H]1COC[C@H](C)N1CCN(C)Cc1ccc(F)cc1 ZINC000181714890 542274943 /nfs/dbraw/zinc/27/49/43/542274943.db2.gz PVVFLCYGUNVDMA-OKILXGFUSA-N 0 3 280.387 2.367 10 0 CEAEHN C[C@@H](NCC(=O)N(C)CC1CC1)c1cccs1 ZINC000182544950 542282489 /nfs/dbraw/zinc/28/24/89/542282489.db2.gz MHALCJKHUARUCC-SNVBAGLBSA-N 0 3 252.383 2.267 10 0 CEAEHN C[C@@H](NCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCO1 ZINC000183106900 542287147 /nfs/dbraw/zinc/28/71/47/542287147.db2.gz HCUHSGUWBRYXHA-NOZJJQNGSA-N 0 3 284.306 2.060 10 0 CEAEHN CC(C)C[C@H](C)N(C)C(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000183137563 542287364 /nfs/dbraw/zinc/28/73/64/542287364.db2.gz FIGIYSVRHJTJOA-IHRRRGAJSA-N 0 3 270.417 2.037 10 0 CEAEHN c1cn(C[C@@H]2CCCN2Cc2cccc3nccn32)cn1 ZINC000188411922 542321683 /nfs/dbraw/zinc/32/16/83/542321683.db2.gz ICQNWIAJFAMARU-AWEZNQCLSA-N 0 3 281.363 2.195 10 0 CEAEHN CCOCCNC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000037892896 184543098 /nfs/dbraw/zinc/54/30/98/184543098.db2.gz XUSOYVOYOLKSQQ-GFCCVEGCSA-N 0 3 277.286 2.365 10 0 CEAEHN CN1C(=O)CC[C@H](N)[C@@H]1c1ccc2ccccc2c1 ZINC000070985432 184574289 /nfs/dbraw/zinc/57/42/89/184574289.db2.gz XARGTDQHFPJQDU-HOCLYGCPSA-N 0 3 254.333 2.460 10 0 CEAEHN CNCc1cccc(S(=O)(=O)N(C)[C@H](C)C2CC2)c1C ZINC000088962768 184615824 /nfs/dbraw/zinc/61/58/24/184615824.db2.gz IUCDRLHLYTUULG-GFCCVEGCSA-N 0 3 296.436 2.133 10 0 CEAEHN CNCc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000088963524 184615890 /nfs/dbraw/zinc/61/58/90/184615890.db2.gz PFBBJYJDKYAQGE-ZDUSSCGKSA-N 0 3 298.452 2.379 10 0 CEAEHN CC[C@H](NC)[C@@H](C)S(=O)(=O)c1ccc(F)cc1F ZINC000081932376 177901017 /nfs/dbraw/zinc/90/10/17/177901017.db2.gz LRGKLZQWTUVMMB-KCJUWKMLSA-N 0 3 277.336 2.125 10 0 CEAEHN CCOC(=O)CCCN[C@@H](C)c1scnc1C ZINC000081545777 177815202 /nfs/dbraw/zinc/81/52/02/177815202.db2.gz MHKOPRSEAUVPSF-VIFPVBQESA-N 0 3 256.371 2.445 10 0 CEAEHN CCCCN(CC(F)(F)F)C(=O)[C@](C)(N)CC ZINC000094235030 184767307 /nfs/dbraw/zinc/76/73/07/184767307.db2.gz MGGXKMODSLNVOS-SNVBAGLBSA-N 0 3 254.296 2.305 10 0 CEAEHN CCC(N)(CC)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000094244774 184769097 /nfs/dbraw/zinc/76/90/97/184769097.db2.gz UCLDJSDQTSMYGA-NSHDSACASA-N 0 3 265.357 2.164 10 0 CEAEHN Cc1nn([C@H]2CCO[C@@]3(CCSC3)C2)c(C)c1CN ZINC000094412305 184794393 /nfs/dbraw/zinc/79/43/93/184794393.db2.gz CUKZZKWRGODCJB-JSGCOSHPSA-N 0 3 281.425 2.186 10 0 CEAEHN CCC(=O)CCN1CCC(c2cnn(CC)c2)CC1 ZINC000190206777 130073478 /nfs/dbraw/zinc/07/34/78/130073478.db2.gz FHFGLIMDOIJPKU-UHFFFAOYSA-N 0 3 263.385 2.452 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000262592808 131238158 /nfs/dbraw/zinc/23/81/58/131238158.db2.gz VIHNFRRRZXWNLJ-BPNCWPANSA-N 0 3 282.359 2.145 10 0 CEAEHN C[C@H](CNCc1ccc([C@@H]2C[C@H]2C)o1)N1CCOCC1 ZINC000263165659 131285152 /nfs/dbraw/zinc/28/51/52/131285152.db2.gz PXQXMWZMNJMUQM-UMVBOHGHSA-N 0 3 278.396 2.213 10 0 CEAEHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(CC)cc1 ZINC000087955053 285555105 /nfs/dbraw/zinc/55/51/05/285555105.db2.gz CUDZOFIZBJJJNX-RYUDHWBXSA-N 0 3 291.395 2.134 10 0 CEAEHN C[C@@H]1CN(c2ccc(Br)cc2F)CCN1 ZINC000083061064 135013607 /nfs/dbraw/zinc/01/36/07/135013607.db2.gz AUGGXBATIGSMHI-MRVPVSSYSA-N 0 3 273.149 2.386 10 0 CEAEHN CC[C@H]1CNCCN1c1ncc(Br)cc1C ZINC000086709040 135048604 /nfs/dbraw/zinc/04/86/04/135048604.db2.gz FVJGZJJPCOUFLI-NSHDSACASA-N 0 3 284.201 2.341 10 0 CEAEHN C[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccco1 ZINC000089733166 135060466 /nfs/dbraw/zinc/06/04/66/135060466.db2.gz KYSIUIVHHLVCOI-CHWSQXEVSA-N 0 3 272.352 2.389 10 0 CEAEHN Cc1ccc2c(c1)CCCN2c1cncc(CN)n1 ZINC000091418927 135069306 /nfs/dbraw/zinc/06/93/06/135069306.db2.gz BXRCUMODXAWGDR-UHFFFAOYSA-N 0 3 254.337 2.328 10 0 CEAEHN CNCc1cncc(N2CCCc3ccccc32)n1 ZINC000091418873 135069465 /nfs/dbraw/zinc/06/94/65/135069465.db2.gz XTMSYUZKEBQPSW-UHFFFAOYSA-N 0 3 254.337 2.280 10 0 CEAEHN CCOc1cc(N2CCN3CCCC[C@@H]3C2)c(N)cc1F ZINC000094439059 135088047 /nfs/dbraw/zinc/08/80/47/135088047.db2.gz UDWUBRNWTGEPAJ-GFCCVEGCSA-N 0 3 293.386 2.481 10 0 CEAEHN COc1c(C)cnc(CN[C@@H](C)[C@@H]2CCCO2)c1C ZINC000035735735 394494263 /nfs/dbraw/zinc/49/42/63/394494263.db2.gz PFRALRBXFSZNRM-JSGCOSHPSA-N 0 3 264.369 2.364 10 0 CEAEHN C[C@@H]1CN(C[C@H](O)COCc2ccccc2)C[C@@H](C)S1 ZINC000070384748 394586917 /nfs/dbraw/zinc/58/69/17/394586917.db2.gz GLDUWTVWYYESIM-FMKPAKJESA-N 0 3 295.448 2.390 10 0 CEAEHN CCNc1ncc(C(=O)N(C)C[C@H]2CCCN2CC)s1 ZINC000129559633 394868395 /nfs/dbraw/zinc/86/83/95/394868395.db2.gz LOXCZKVSBXEQEH-LLVKDONJSA-N 0 3 296.440 2.131 10 0 CEAEHN CC(C)(C(=O)Nc1ccc(Cl)cc1F)N1CCNCC1 ZINC000129628949 394870363 /nfs/dbraw/zinc/87/03/63/394870363.db2.gz GDAKDOIJDJBLBB-UHFFFAOYSA-N 0 3 299.777 2.101 10 0 CEAEHN C[C@@H](CN[C@@H]1CCCOc2ccccc21)N1CCOCC1 ZINC000123429722 394827761 /nfs/dbraw/zinc/82/77/61/394827761.db2.gz XLBUCKZGZPFKNA-GOEBONIOSA-N 0 3 290.407 2.211 10 0 CEAEHN CN(C)C[C@@H]1CN(CC2CCCCCC2)CCO1 ZINC000128228522 394853753 /nfs/dbraw/zinc/85/37/53/394853753.db2.gz UKBWYYKQVUZIBL-OAHLLOKOSA-N 0 3 254.418 2.219 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nc(C)cs1 ZINC000131085077 394903462 /nfs/dbraw/zinc/90/34/62/394903462.db2.gz MCGAAWNATQVFJC-LBPRGKRZSA-N 0 3 253.415 2.368 10 0 CEAEHN c1ccc(CCN2CC[C@@H](Oc3cccnc3)C2)nc1 ZINC000152220941 394990751 /nfs/dbraw/zinc/99/07/51/394990751.db2.gz WTEKWLSRJJWUTH-MRXNPFEDSA-N 0 3 269.348 2.172 10 0 CEAEHN CCc1nnc(CN[C@H]2CCCC[C@H]2CC)n1C ZINC000163297351 395083027 /nfs/dbraw/zinc/08/30/27/395083027.db2.gz DXTJXNDDMFQSFK-NEPJUHHUSA-N 0 3 250.390 2.436 10 0 CEAEHN O[C@H]1CCC[C@@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000383269984 395184588 /nfs/dbraw/zinc/18/45/88/395184588.db2.gz FSYQLOHLNFZRQP-WBVHZDCISA-N 0 3 274.408 2.360 10 0 CEAEHN C[C@@H]1CN(CCN(C)Cc2ccc(F)cc2)[C@H](C)CO1 ZINC000186502264 395291603 /nfs/dbraw/zinc/29/16/03/395291603.db2.gz XCURFOLVNOAAHF-ZIAGYGMSSA-N 0 3 280.387 2.367 10 0 CEAEHN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccs1 ZINC000192941349 395396484 /nfs/dbraw/zinc/39/64/84/395396484.db2.gz GOEUBMFRPHOEOT-WDEREUQCSA-N 0 3 297.424 2.269 10 0 CEAEHN N[C@@]1(c2ccns2)CCN(Cc2ccccc2)C1 ZINC000575451605 395664416 /nfs/dbraw/zinc/66/44/16/395664416.db2.gz SVSUCDCHSBLSCT-AWEZNQCLSA-N 0 3 259.378 2.203 10 0 CEAEHN CCC[C@H](C(=O)NCC1(CCOC)CCCC1)N(C)C ZINC000154829088 289156487 /nfs/dbraw/zinc/15/64/87/289156487.db2.gz YMGYQRQFOFQERN-CQSZACIVSA-N 0 3 284.444 2.430 10 0 CEAEHN COc1ccc([C@@H](C)N[C@@H]2CCCNC(=O)C2)cc1OC ZINC000111826027 400273755 /nfs/dbraw/zinc/27/37/55/400273755.db2.gz HPTVEWTZFMAVSO-DGCLKSJQSA-N 0 3 292.379 2.023 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000111891448 400274831 /nfs/dbraw/zinc/27/48/31/400274831.db2.gz KJRRRSXNUGCIOS-BZUAXINKSA-N 0 3 287.407 2.136 10 0 CEAEHN Cc1cc(CN[C@@H](C)CN(C)Cc2ccccc2)n(C)n1 ZINC000309763295 400340955 /nfs/dbraw/zinc/34/09/55/400340955.db2.gz YTEGQSWNFZXBQB-HNNXBMFYSA-N 0 3 286.423 2.339 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1c[nH]nc1C(C)C ZINC000189490875 153092865 /nfs/dbraw/zinc/09/28/65/153092865.db2.gz OKGUCPJSLJLLLA-GFCCVEGCSA-N 0 3 280.416 2.239 10 0 CEAEHN C[C@H]1OCCC[C@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000189858057 153111314 /nfs/dbraw/zinc/11/13/14/153111314.db2.gz FPZKCXQZWKALGY-HUUCEWRRSA-N 0 3 296.455 2.382 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)NCC(C)(C)N1CCCCC1 ZINC000190619630 153138355 /nfs/dbraw/zinc/13/83/55/153138355.db2.gz JCOKVNNENNEYMW-UONOGXRCSA-N 0 3 282.428 2.182 10 0 CEAEHN O=C(CCCc1cccs1)N1CCN2CCC[C@H]2C1 ZINC000195310196 153282596 /nfs/dbraw/zinc/28/25/96/153282596.db2.gz PBJDJUZDCRVTAO-ZDUSSCGKSA-N 0 3 278.421 2.377 10 0 CEAEHN O=C(C1CCN(C2CC2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000195361809 153288225 /nfs/dbraw/zinc/28/82/25/153288225.db2.gz LDXUIAVNBGDIHB-JKSUJKDBSA-N 0 3 292.423 2.031 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H](C)C[C@@H](C)O)c1C ZINC000228090031 153358087 /nfs/dbraw/zinc/35/80/87/153358087.db2.gz JMYCKULEMFAKAB-MXWKQRLJSA-N 0 3 253.390 2.330 10 0 CEAEHN CC(C)c1cc(NC(=O)[C@@]2(C)CCCCN2)n[nH]1 ZINC000228340427 153365127 /nfs/dbraw/zinc/36/51/27/153365127.db2.gz DCTZGZGJQPCTDT-CYBMUJFWSA-N 0 3 250.346 2.004 10 0 CEAEHN CO[C@H](C)c1cccc(NC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261745359 153825734 /nfs/dbraw/zinc/82/57/34/153825734.db2.gz DNTOALKKPWZGBI-IAQYHMDHSA-N 0 3 292.379 2.086 10 0 CEAEHN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C1(N)CCCC1 ZINC000262495296 153954814 /nfs/dbraw/zinc/95/48/14/153954814.db2.gz YYGQUFOYGPOCQT-OAHLLOKOSA-N 0 3 290.407 2.148 10 0 CEAEHN C[C@H]1CCC[C@@H]1[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263461921 154100144 /nfs/dbraw/zinc/10/01/44/154100144.db2.gz BXJCGZKGZKCPHX-LLGZUXRYSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H]1CCC[C@@H]1NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461921 154100152 /nfs/dbraw/zinc/10/01/52/154100152.db2.gz BXJCGZKGZKCPHX-LLGZUXRYSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H]1CCC[C@@H]1NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263461921 154100155 /nfs/dbraw/zinc/10/01/55/154100155.db2.gz BXJCGZKGZKCPHX-LLGZUXRYSA-N 0 3 280.412 2.092 10 0 CEAEHN O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC000166462460 162350032 /nfs/dbraw/zinc/35/00/32/162350032.db2.gz WGEOOQFORRDJEL-QMMMGPOBSA-N 0 3 288.269 2.349 10 0 CEAEHN CCCC[C@@H](C(=O)OC)N1CCC(c2ccn[nH]2)CC1 ZINC000171235433 162378842 /nfs/dbraw/zinc/37/88/42/162378842.db2.gz ONHNJHGHTPPLDG-AWEZNQCLSA-N 0 3 279.384 2.321 10 0 CEAEHN Cc1nn(C)c(Cl)c1CN1CCC(c2ccn[nH]2)CC1 ZINC000170748669 165040338 /nfs/dbraw/zinc/04/03/38/165040338.db2.gz GLZSACKHDNXPAA-UHFFFAOYSA-N 0 3 293.802 2.485 10 0 CEAEHN C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173927910 165092390 /nfs/dbraw/zinc/09/23/90/165092390.db2.gz DGAXPCHQFPJNOZ-CJNGLKHVSA-N 0 3 278.371 2.293 10 0 CEAEHN C[C@H](NCc1c[nH]cn1)c1cccc(-n2ccnc2)c1 ZINC000174651456 165112374 /nfs/dbraw/zinc/11/23/74/165112374.db2.gz CEQQDBBXRIYXID-LBPRGKRZSA-N 0 3 267.336 2.446 10 0 CEAEHN C[C@H](NCc1cnc[nH]1)c1cccc(-n2ccnc2)c1 ZINC000174651456 165112378 /nfs/dbraw/zinc/11/23/78/165112378.db2.gz CEQQDBBXRIYXID-LBPRGKRZSA-N 0 3 267.336 2.446 10 0 CEAEHN CCCSCC(=O)N1C[C@H]2CCCN2C[C@@H]1CC ZINC000175039063 165122861 /nfs/dbraw/zinc/12/28/61/165122861.db2.gz MVHVDTSXGPSLHL-QWHCGFSZSA-N 0 3 270.442 2.215 10 0 CEAEHN CCCSCC(=O)N1C[C@@H]2CCCN2C[C@@H]1CC ZINC000175039046 165123529 /nfs/dbraw/zinc/12/35/29/165123529.db2.gz MVHVDTSXGPSLHL-STQMWFEESA-N 0 3 270.442 2.215 10 0 CEAEHN CC[C@H](CSC)N(C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000179596782 165284860 /nfs/dbraw/zinc/28/48/60/165284860.db2.gz VUYNHBVXQHRSHV-QWHCGFSZSA-N 0 3 287.473 2.254 10 0 CEAEHN CC(C)n1nnnc1CN[C@H](Cc1ccccc1)C1CC1 ZINC000181556535 165348092 /nfs/dbraw/zinc/34/80/92/165348092.db2.gz UARACFWTBASXCQ-OAHLLOKOSA-N 0 3 285.395 2.365 10 0 CEAEHN CCOc1ccc([C@@H](CN)N2CCSCC2)cc1 ZINC000020257041 171112019 /nfs/dbraw/zinc/11/20/19/171112019.db2.gz JFMJRBHFDOCUAW-CQSZACIVSA-N 0 3 266.410 2.134 10 0 CEAEHN CC[C@H]([C@@H](N)c1ccccc1)N1CCN(CC)CC1 ZINC000020260059 171116158 /nfs/dbraw/zinc/11/61/58/171116158.db2.gz YIWUMKODFNNSNO-CVEARBPZSA-N 0 3 261.413 2.103 10 0 CEAEHN Cc1c(CN)nnn1-c1cccc(C(F)(F)F)c1 ZINC000020391421 171179989 /nfs/dbraw/zinc/17/99/89/171179989.db2.gz ZRSNQCOHNKPJJS-UHFFFAOYSA-N 0 3 256.231 2.053 10 0 CEAEHN C[C@@H](Oc1ccccc1[C@H](C)N)C(=O)N1CCCC1 ZINC000020419477 171184399 /nfs/dbraw/zinc/18/43/99/171184399.db2.gz GLNMPXZYHWHHTR-NWDGAFQWSA-N 0 3 262.353 2.096 10 0 CEAEHN COc1ccccc1[C@H](N)c1ccc2c(c1)CC(=O)N2C ZINC000020431205 171196030 /nfs/dbraw/zinc/19/60/30/171196030.db2.gz DMHJORPEEWTPHY-QGZVFWFLSA-N 0 3 282.343 2.262 10 0 CEAEHN CCCN(CCC)CC(=O)Nc1ccc(F)cc1N ZINC000022155668 171362602 /nfs/dbraw/zinc/36/26/02/171362602.db2.gz DCNBDZWZJSPCEF-UHFFFAOYSA-N 0 3 267.348 2.468 10 0 CEAEHN CCN1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1N ZINC000022166595 171366367 /nfs/dbraw/zinc/36/63/67/171366367.db2.gz DAELHJYLGVVRAY-NSHDSACASA-N 0 3 281.787 2.136 10 0 CEAEHN COc1ccc([C@H](CN)N(C)C(C)C)c(OC)c1 ZINC000022167743 171366878 /nfs/dbraw/zinc/36/68/78/171366878.db2.gz SLWVQTKUVPWDKA-ZDUSSCGKSA-N 0 3 252.358 2.044 10 0 CEAEHN C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(CN)c1 ZINC000022175059 171370060 /nfs/dbraw/zinc/37/00/60/171370060.db2.gz KCFMUNNOJXJKCM-QMMMGPOBSA-N 0 3 276.258 2.051 10 0 CEAEHN Cc1ccc(NC(=O)COc2ccccc2CN)cc1 ZINC000022219768 171377455 /nfs/dbraw/zinc/37/74/55/171377455.db2.gz CVZWMROVYNPDLN-UHFFFAOYSA-N 0 3 270.332 2.471 10 0 CEAEHN COc1ccc2cc([C@H](CN)N3CCOCC3)ccc2c1 ZINC000022222510 171378680 /nfs/dbraw/zinc/37/86/80/171378680.db2.gz LOLNYXDDDVSHDS-KRWDZBQOSA-N 0 3 286.375 2.180 10 0 CEAEHN CCNC(=O)[C@@H](C)N(Cc1cccc(N)c1)C(C)C ZINC000035365630 172155879 /nfs/dbraw/zinc/15/58/79/172155879.db2.gz YBXKJWLLRIBXAT-GFCCVEGCSA-N 0 3 263.385 2.004 10 0 CEAEHN CNCc1c(N(C)C2CCCC2)nc2sccn12 ZINC000035430128 172198579 /nfs/dbraw/zinc/19/85/79/172198579.db2.gz QIRZNWDONODMLA-UHFFFAOYSA-N 0 3 264.398 2.494 10 0 CEAEHN CN[C@@H](c1cnn(C)c1)c1cccc(Br)c1 ZINC000035500094 172233829 /nfs/dbraw/zinc/23/38/29/172233829.db2.gz ZMAXOHNITGKXPQ-GFCCVEGCSA-N 0 3 280.169 2.491 10 0 CEAEHN CN(Cc1ccco1)c1nc2ccccn2c1CN ZINC000035716309 172370037 /nfs/dbraw/zinc/37/00/37/172370037.db2.gz FWRZPNZWXZGYGR-UHFFFAOYSA-N 0 3 256.309 2.022 10 0 CEAEHN CC(C)c1ccc2c(c1)[C@@H](N)C[C@@H](C)S2(=O)=O ZINC000035752295 172396712 /nfs/dbraw/zinc/39/67/12/172396712.db2.gz AGKVPIWLHNKXSZ-SKDRFNHKSA-N 0 3 253.367 2.376 10 0 CEAEHN Cc1c([C@H](C)N)nnn1-c1ccc(F)c(F)c1F ZINC000036916845 172802915 /nfs/dbraw/zinc/80/29/15/172802915.db2.gz AHRZZSDMGLJGIY-YFKPBYRVSA-N 0 3 256.231 2.013 10 0 CEAEHN CC[C@@H]1CCCCN1S(=O)(=O)c1cccc(CN)c1 ZINC000037083318 172940927 /nfs/dbraw/zinc/94/09/27/172940927.db2.gz SWTKCIURHWNTAF-CYBMUJFWSA-N 0 3 282.409 2.099 10 0 CEAEHN COCCOCCCNCc1ccc(CSC)o1 ZINC000037237747 173055281 /nfs/dbraw/zinc/05/52/81/173055281.db2.gz FHSNWPVBTDQARZ-UHFFFAOYSA-N 0 3 273.398 2.285 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000037386235 173168544 /nfs/dbraw/zinc/16/85/44/173168544.db2.gz XWYRNAFYDHTLOD-MRVPVSSYSA-N 0 3 286.278 2.335 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc3cc(Cl)ccc3n2C)C1 ZINC000037440320 173210343 /nfs/dbraw/zinc/21/03/43/173210343.db2.gz BNIWGQPZZFRNTG-KOLCDFICSA-N 0 3 265.744 2.276 10 0 CEAEHN N[C@H](Cc1cccc(Br)c1)c1cnccn1 ZINC000037467122 173226781 /nfs/dbraw/zinc/22/67/81/173226781.db2.gz PEAQMGIWWQRZDQ-LLVKDONJSA-N 0 3 278.153 2.482 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCCC1)c1ccccc1F ZINC000037764273 173690877 /nfs/dbraw/zinc/69/08/77/173690877.db2.gz VOFLAMSVPUXYCS-JTQLQIEISA-N 0 3 250.317 2.274 10 0 CEAEHN CNCc1c(N2CCC[C@@H]2C)nc2sccn12 ZINC000037911837 173844443 /nfs/dbraw/zinc/84/44/43/173844443.db2.gz SFKZAELVKLSLOL-VIFPVBQESA-N 0 3 250.371 2.104 10 0 CEAEHN COc1cccc([C@](C)(NC2CCCCC2)C(N)=O)c1 ZINC000037971216 173922420 /nfs/dbraw/zinc/92/24/20/173922420.db2.gz CKHCSGACPSKRJV-INIZCTEOSA-N 0 3 276.380 2.318 10 0 CEAEHN C[C@H](NCc1cc(-c2ccccc2)cs1)C(N)=O ZINC000038030795 174023443 /nfs/dbraw/zinc/02/34/43/174023443.db2.gz XFKXRNXTBFWFPA-JTQLQIEISA-N 0 3 260.362 2.379 10 0 CEAEHN CN(c1c(F)cc(N)cc1F)C1CCN(C)CC1 ZINC000038039814 174039531 /nfs/dbraw/zinc/03/95/31/174039531.db2.gz FENDTKPQCRNRHY-UHFFFAOYSA-N 0 3 255.312 2.077 10 0 CEAEHN CC[C@@H](C)N[C@@H](C(N)=O)c1ccc(SC)cc1 ZINC000038064832 174075554 /nfs/dbraw/zinc/07/55/54/174075554.db2.gz LUBFCEQDPUQYNG-BXKDBHETSA-N 0 3 252.383 2.323 10 0 CEAEHN CC[C@@H](C)N[C@@H](C(N)=O)c1ccc(OC(F)F)cc1 ZINC000038065272 174076270 /nfs/dbraw/zinc/07/62/70/174076270.db2.gz RDMSQJKHGTWRIA-LDYMZIIASA-N 0 3 272.295 2.203 10 0 CEAEHN CC[C@@H](C)N[C@@](C)(C(N)=O)c1ccc(SC)cc1 ZINC000038065770 174076841 /nfs/dbraw/zinc/07/68/41/174076841.db2.gz WNBBLNVSOWAEHF-QMTHXVAHSA-N 0 3 266.410 2.497 10 0 CEAEHN COc1cc([C@H](CN)N2CCCCC2)cc(OC)c1OC ZINC000038809059 174156704 /nfs/dbraw/zinc/15/67/04/174156704.db2.gz ZGJLTMYKSKVVTB-ZDUSSCGKSA-N 0 3 294.395 2.198 10 0 CEAEHN CC1CCN([C@@H](CN)c2ccc3c(c2)OCO3)CC1 ZINC000039174829 174165189 /nfs/dbraw/zinc/16/51/89/174165189.db2.gz PUHNVNHYGXSXBN-ZDUSSCGKSA-N 0 3 262.353 2.147 10 0 CEAEHN CC(=O)c1nc2ccccc2n1C(=O)CCN1CCCC1 ZINC000039757728 174172447 /nfs/dbraw/zinc/17/24/47/174172447.db2.gz CCIJUGUIAKAXPZ-UHFFFAOYSA-N 0 3 285.347 2.365 10 0 CEAEHN CNCc1nc2cc(Cl)ccc2n1CCOC ZINC000040404817 174253985 /nfs/dbraw/zinc/25/39/85/174253985.db2.gz YGNYNBJNDBSWNR-UHFFFAOYSA-N 0 3 253.733 2.056 10 0 CEAEHN COc1nc(N(C)C)sc1CNCC(C)(C)C ZINC000040492883 174292891 /nfs/dbraw/zinc/29/28/91/174292891.db2.gz NPBLVGXJJAZMBQ-UHFFFAOYSA-N 0 3 257.403 2.353 10 0 CEAEHN Cc1ccc(OC[C@@H](C)N[C@@H]2CCCCNC2=O)cc1 ZINC000040499922 174296293 /nfs/dbraw/zinc/29/62/93/174296293.db2.gz ZVKVCOMOMDXVJW-UKRRQHHQSA-N 0 3 276.380 2.021 10 0 CEAEHN Cc1ccc(OC[C@H](C)NC(=O)[C@@](C)(N)C2CC2)cc1 ZINC000040500223 174296831 /nfs/dbraw/zinc/29/68/31/174296831.db2.gz BWRQCHHVAINXSD-LRDDRELGSA-N 0 3 276.380 2.006 10 0 CEAEHN NCc1ccccc1N1C(=O)C[C@@H](c2ccccc2)C1=O ZINC000040605791 174352994 /nfs/dbraw/zinc/35/29/94/174352994.db2.gz ATJCUOMQFDSUET-AWEZNQCLSA-N 0 3 280.327 2.192 10 0 CEAEHN CO[C@@H]1CN[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000040629691 174357784 /nfs/dbraw/zinc/35/77/84/174357784.db2.gz YUBZJBFXUONOPF-KWQFWETISA-N 0 3 289.162 2.309 10 0 CEAEHN CCOc1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2)cc1Cl ZINC000040634163 174360541 /nfs/dbraw/zinc/36/05/41/174360541.db2.gz BHTOZYJNKASDMG-ZYHUDNBSSA-N 0 3 298.770 2.054 10 0 CEAEHN CN1CCC[C@@H](Nc2ccc3ncccc3c2N)C1 ZINC000040715807 174382645 /nfs/dbraw/zinc/38/26/45/174382645.db2.gz YOROHNUJXURQJJ-LLVKDONJSA-N 0 3 256.353 2.323 10 0 CEAEHN CCCc1ccc([C@@H](N)Cn2cnc(C)cc2=O)cc1 ZINC000040728061 174387731 /nfs/dbraw/zinc/38/77/31/174387731.db2.gz BQEJTCUTOHHOSI-HNNXBMFYSA-N 0 3 271.364 2.204 10 0 CEAEHN Cc1cc(=O)n(C[C@@H](N)c2ccc(OC(C)C)cc2)cn1 ZINC000040728071 174387936 /nfs/dbraw/zinc/38/79/36/174387936.db2.gz PLAGKOIYNAECMB-OAHLLOKOSA-N 0 3 287.363 2.039 10 0 CEAEHN Cc1nn([C@H](C)C(=O)Nc2ccccc2CN)c(C)c1C ZINC000040728951 174388111 /nfs/dbraw/zinc/38/81/11/174388111.db2.gz LXOHMSZZDJIGKG-CYBMUJFWSA-N 0 3 286.379 2.467 10 0 CEAEHN CCNCc1c(C)nn(C)c1-n1nc(C)c(CC)c1C ZINC000040733465 174388670 /nfs/dbraw/zinc/38/86/70/174388670.db2.gz HVUVYBBMVKLHKG-UHFFFAOYSA-N 0 3 275.400 2.203 10 0 CEAEHN CC(C)(N)c1cn(Cc2coc(-c3cccs3)n2)nn1 ZINC000070118492 414766139 /nfs/dbraw/zinc/76/61/39/414766139.db2.gz NHYMETVUMMQULN-UHFFFAOYSA-N 0 3 289.364 2.237 10 0 CEAEHN CCCCOC[C@@H](O)CN1CC(C)(C)OC[C@H]1CC ZINC000403932928 414770492 /nfs/dbraw/zinc/77/04/92/414770492.db2.gz IEBIESJHUHXNEU-KGLIPLIRSA-N 0 3 273.417 2.053 10 0 CEAEHN C(CN1CC[C@@H]2OCCN[C@@H]2C1)C1CCCCC1 ZINC000403995596 414771585 /nfs/dbraw/zinc/77/15/85/414771585.db2.gz KXKKQJNVXBGBRK-CABCVRRESA-N 0 3 252.402 2.020 10 0 CEAEHN CCC[C@H](N)C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000404884585 414791067 /nfs/dbraw/zinc/79/10/67/414791067.db2.gz DJMXVZSMUWGOSV-WFASDCNBSA-N 0 3 260.381 2.302 10 0 CEAEHN CN(C(=O)c1ccc(Cl)c(F)c1)[C@@H](CN)C(F)(F)F ZINC000662985336 414818204 /nfs/dbraw/zinc/81/82/04/414818204.db2.gz UOSLKBFZTNOEIY-VIFPVBQESA-N 0 3 298.667 2.441 10 0 CEAEHN CCCOc1ccc([C@H](N)Cn2nc(C)nc2C)cc1 ZINC000041633484 174588111 /nfs/dbraw/zinc/58/81/11/174588111.db2.gz JNAMGNGETRBNSB-OAHLLOKOSA-N 0 3 274.368 2.384 10 0 CEAEHN COCc1nc(CNC[C@H]2CCN2C(C)(C)C)cs1 ZINC000657522256 414986449 /nfs/dbraw/zinc/98/64/49/414986449.db2.gz AEOMDRJKBAKKMS-GFCCVEGCSA-N 0 3 283.441 2.252 10 0 CEAEHN CN1C[C@@H](CNCc2cc(Cl)ccc2F)CC1=O ZINC000657694323 415050949 /nfs/dbraw/zinc/05/09/49/415050949.db2.gz CUKMKRJKQIGYNP-SECBINFHSA-N 0 3 270.735 2.047 10 0 CEAEHN Cc1ccc(CNC[C@H]2CC(=O)N(C)C2)c(Cl)c1 ZINC000657696239 415051285 /nfs/dbraw/zinc/05/12/85/415051285.db2.gz GDOWWRWLFMTBLW-LLVKDONJSA-N 0 3 266.772 2.216 10 0 CEAEHN CS[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000042853426 174892184 /nfs/dbraw/zinc/89/21/84/174892184.db2.gz BRKTYVYGLWAQDX-YPMHNXCESA-N 0 3 266.410 2.157 10 0 CEAEHN CCN[C@H](c1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000043315514 175004690 /nfs/dbraw/zinc/00/46/90/175004690.db2.gz ZMSFVFQARNCYJD-HIFRSBDPSA-N 0 3 281.421 2.389 10 0 CEAEHN Cc1cccc([C@@H](CN)N2CCOC(C)(C)C2)c1C ZINC000043314690 175004739 /nfs/dbraw/zinc/00/47/39/175004739.db2.gz HQIQWKJGNQYEFZ-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN C[C@H](N)[C@@H](c1ccco1)N(C)C[C@@H]1CCCCO1 ZINC000043335727 175011077 /nfs/dbraw/zinc/01/10/77/175011077.db2.gz HCPOCRDUWJQCCI-OBJOEFQTSA-N 0 3 252.358 2.169 10 0 CEAEHN NC[C@@H](Sc1nnc2n1CCCCC2)c1ccco1 ZINC000043338205 175012486 /nfs/dbraw/zinc/01/24/86/175012486.db2.gz OAYUAEMNIHAOGC-LLVKDONJSA-N 0 3 278.381 2.390 10 0 CEAEHN COC1CCN([C@H](c2ccc(C)o2)[C@H](C)N)CC1 ZINC000043364101 175024976 /nfs/dbraw/zinc/02/49/76/175024976.db2.gz KXOIUGQGILYZPV-FZMZJTMJSA-N 0 3 252.358 2.087 10 0 CEAEHN COc1ccc(CN(C)c2nc(C)ccc2CN)cc1 ZINC000043395809 175035824 /nfs/dbraw/zinc/03/58/24/175035824.db2.gz GBLVBXHURPUAEI-UHFFFAOYSA-N 0 3 271.364 2.494 10 0 CEAEHN CCN[C@@H](CN(C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043813392 175111216 /nfs/dbraw/zinc/11/12/16/175111216.db2.gz HNABWCWVILLWNZ-ZDUSSCGKSA-N 0 3 264.369 2.406 10 0 CEAEHN CN[C@@H](CN1CCCCC1)c1ccc(OC)cc1OC ZINC000043813879 175111666 /nfs/dbraw/zinc/11/16/66/175111666.db2.gz KWOKUZIAMPWUHP-HNNXBMFYSA-N 0 3 278.396 2.450 10 0 CEAEHN CN[C@@H](CN1CC[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000043908165 175123386 /nfs/dbraw/zinc/12/33/86/175123386.db2.gz UJTDAAUVBKEECB-OCCSQVGLSA-N 0 3 276.380 2.060 10 0 CEAEHN CN[C@@H](CN(C)[C@@H](C)COC)c1cc(C)ccc1OC ZINC000043969110 175130497 /nfs/dbraw/zinc/13/04/97/175130497.db2.gz WZKJCPTUYLFJIS-ZFWWWQNUSA-N 0 3 280.412 2.231 10 0 CEAEHN COc1ccc([C@@H](O)CN2CCC[C@@H](C)C2)cc1OC ZINC000044117821 175142169 /nfs/dbraw/zinc/14/21/69/175142169.db2.gz LQUOMQNHPKFGQH-OCCSQVGLSA-N 0 3 279.380 2.469 10 0 CEAEHN Cc1cc(N)ccc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000044749069 175244384 /nfs/dbraw/zinc/24/43/84/175244384.db2.gz MYDUDORIKWSCOU-ZDUSSCGKSA-N 0 3 275.396 2.181 10 0 CEAEHN CC[C@H](C)NC(=O)CCn1c(N)nc2cc(C)ccc21 ZINC000045005593 175288107 /nfs/dbraw/zinc/28/81/07/175288107.db2.gz UUGWKOPXGFOKBI-NSHDSACASA-N 0 3 274.368 2.232 10 0 CEAEHN CC[C@@H](C)NC(=O)CCNC1=N[C@H](CC(C)C)CS1 ZINC000045005984 175288147 /nfs/dbraw/zinc/28/81/47/175288147.db2.gz WLJMUHOWOUUMCK-VXGBXAGGSA-N 0 3 285.457 2.398 10 0 CEAEHN CC1(C)C[C@H]1NCC(=O)N1CCc2sccc2C1 ZINC000045119469 175312193 /nfs/dbraw/zinc/31/21/93/175312193.db2.gz MUTPIUPUUIQSOP-GFCCVEGCSA-N 0 3 264.394 2.021 10 0 CEAEHN CCN[C@@H](C)c1cccc(S(=O)(=O)N[C@H]2CC2(C)C)c1 ZINC000045138154 175314865 /nfs/dbraw/zinc/31/48/65/175314865.db2.gz OOXLYFUQYPMFPF-FZMZJTMJSA-N 0 3 296.436 2.434 10 0 CEAEHN CCCCN(C)C[C@@](C)(NCCC)C(=O)OCC ZINC000045222072 175330933 /nfs/dbraw/zinc/33/09/33/175330933.db2.gz FWSMZEOUXFNVCI-CQSZACIVSA-N 0 3 258.406 2.040 10 0 CEAEHN CCCCN(CC)C[C@@](C)(NC(C)C)C(=O)OC ZINC000045223313 175331143 /nfs/dbraw/zinc/33/11/43/175331143.db2.gz OKQBYWKWQXBZSW-CQSZACIVSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCCN(CC)C[C@](NC)(C(=O)OC)c1ccccc1 ZINC000045223217 175331420 /nfs/dbraw/zinc/33/14/20/175331420.db2.gz VAJFIXYMWVYGJP-QGZVFWFLSA-N 0 3 292.423 2.396 10 0 CEAEHN CCOC(=O)[C@](C)(CN1C[C@H](C)C[C@H](C)C1)NC(C)C ZINC000045224542 175332605 /nfs/dbraw/zinc/33/26/05/175332605.db2.gz ONZAFVLGKPZDNV-LZWOXQAQSA-N 0 3 284.444 2.284 10 0 CEAEHN CCN[C@@](C)(CCN1CCC(C)CC1)C(=O)OCC ZINC000045225546 175333049 /nfs/dbraw/zinc/33/30/49/175333049.db2.gz KPFPFADFSZTQSG-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN(C)C[C@@H](C)CC)C(=O)[O-] ZINC000045268425 175340492 /nfs/dbraw/zinc/34/04/92/175340492.db2.gz VVHJDTKTOBPDPA-JSGCOSHPSA-N 0 3 258.406 2.197 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)[C@@H](C)C1CC1)NC(C)C ZINC000045270277 175341669 /nfs/dbraw/zinc/34/16/69/175341669.db2.gz GUYAHRFHNLVLLF-WFASDCNBSA-N 0 3 270.417 2.037 10 0 CEAEHN CCOC(=O)[C@](CN(C)CC1CC1)(NC)c1ccccc1 ZINC000045272911 175343967 /nfs/dbraw/zinc/34/39/67/175343967.db2.gz ODVNFUKPTMQUFA-QGZVFWFLSA-N 0 3 290.407 2.006 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)CC1CCCCC1)NC ZINC000045281549 175352480 /nfs/dbraw/zinc/35/24/80/175352480.db2.gz BMTXEORPRXYGAN-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@@H](C)C2(CO)CC2)c1C ZINC000658160862 415239718 /nfs/dbraw/zinc/23/97/18/415239718.db2.gz PRERUGCTZIXJHX-MFKMUULPSA-N 0 3 265.401 2.331 10 0 CEAEHN COc1ccc(C[C@@H](N)c2cc(C)cnc2N)cc1 ZINC000070404716 175912650 /nfs/dbraw/zinc/91/26/50/175912650.db2.gz ILLQFKNJWHHMHJ-CQSZACIVSA-N 0 3 257.337 2.223 10 0 CEAEHN CC1CC(C(=O)N2CCNC3(CCCCC3)C2)C1 ZINC000656364923 415681464 /nfs/dbraw/zinc/68/14/64/415681464.db2.gz ZKBKXGONLVPOKK-UHFFFAOYSA-N 0 3 250.386 2.167 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000070824356 176007482 /nfs/dbraw/zinc/00/74/82/176007482.db2.gz PPTMLZBXMLQHEM-LDYMZIIASA-N 0 3 259.136 2.272 10 0 CEAEHN Cc1ccc([C@@H]2[C@H](N)CCC(=O)N2C2CC2)cc1F ZINC000070987210 176018630 /nfs/dbraw/zinc/01/86/30/176018630.db2.gz WDXFQOKJMABDKG-UKRRQHHQSA-N 0 3 262.328 2.287 10 0 CEAEHN Cc1ccsc1[C@@H]1[C@@H](N)CCC(=O)N1C1CC1 ZINC000070987142 176018660 /nfs/dbraw/zinc/01/86/60/176018660.db2.gz CVTHJJQLGDCGAN-JQWIXIFHSA-N 0 3 250.367 2.210 10 0 CEAEHN Cc1ccc([C@@H]2[C@@H](N)CCC(=O)N2C2CC2)cc1F ZINC000070987214 176018711 /nfs/dbraw/zinc/01/87/11/176018711.db2.gz WDXFQOKJMABDKG-DZGCQCFKSA-N 0 3 262.328 2.287 10 0 CEAEHN COC(=O)c1sccc1N1CCC[C@@H](NC(C)C)C1=O ZINC000071032499 176023441 /nfs/dbraw/zinc/02/34/41/176023441.db2.gz PPRFSYDRXSXVOK-SNVBAGLBSA-N 0 3 296.392 2.028 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000071033454 176023644 /nfs/dbraw/zinc/02/36/44/176023644.db2.gz JLUMNFMHRDPAES-GFCCVEGCSA-N 0 3 254.280 2.068 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000071032920 176023681 /nfs/dbraw/zinc/02/36/81/176023681.db2.gz AUQHNEISUBPRNJ-LLVKDONJSA-N 0 3 254.280 2.068 10 0 CEAEHN CCCN[C@@H]1CCN(c2nc(C3CC3)cs2)C1=O ZINC000071036495 176026065 /nfs/dbraw/zinc/02/60/65/176026065.db2.gz HZAUPUBIHZYQAS-SNVBAGLBSA-N 0 3 265.382 2.125 10 0 CEAEHN C[C@@H](C1CCCC1)N1CCC[C@H](NC2CC2)C1=O ZINC000071043958 176030003 /nfs/dbraw/zinc/03/00/03/176030003.db2.gz LFUYUOOJFSYHGW-FZMZJTMJSA-N 0 3 250.386 2.308 10 0 CEAEHN COC(=O)CCCNCc1ccc2c(c1)CC(C)(C)O2 ZINC000071170248 176051091 /nfs/dbraw/zinc/05/10/91/176051091.db2.gz IUCINBPOVZNQIQ-UHFFFAOYSA-N 0 3 277.364 2.443 10 0 CEAEHN CN(Cc1ccc(Cl)cc1)c1cnc(CN)cn1 ZINC000071177871 176055694 /nfs/dbraw/zinc/05/56/94/176055694.db2.gz LCSJEIKQJMQMFK-UHFFFAOYSA-N 0 3 262.744 2.225 10 0 CEAEHN CCN[C@@H](C)c1cc(C)ccc1O[C@H]1CCN(C)C1=O ZINC000071182994 176058067 /nfs/dbraw/zinc/05/80/67/176058067.db2.gz DRFATIAQKVQTHL-WFASDCNBSA-N 0 3 276.380 2.275 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1O[C@@H]1CCN(C)C1=O ZINC000071183188 176058642 /nfs/dbraw/zinc/05/86/42/176058642.db2.gz FVPJFWCASNUUIZ-GXFFZTMASA-N 0 3 280.343 2.106 10 0 CEAEHN C[C@@H](C(=O)c1ccc(F)cc1)N(C)C[C@@H]1CCN(C)C1 ZINC000071189781 176065219 /nfs/dbraw/zinc/06/52/19/176065219.db2.gz YFNOMSWPIKDINY-QWHCGFSZSA-N 0 3 278.371 2.280 10 0 CEAEHN CCC(CC)N(C)S(=O)(=O)c1ccc(F)c(CN)c1 ZINC000071240377 176094436 /nfs/dbraw/zinc/09/44/36/176094436.db2.gz SPABOJWBBBRMML-UHFFFAOYSA-N 0 3 288.388 2.094 10 0 CEAEHN CN(Cc1ccc(F)cc1C(N)=S)CC1CC1 ZINC000071265865 176099149 /nfs/dbraw/zinc/09/91/49/176099149.db2.gz YMOGMCHCQAOVTB-UHFFFAOYSA-N 0 3 252.358 2.302 10 0 CEAEHN CCCN1CCN(CCCCCC(=O)OCC)CC1 ZINC000071292790 176111269 /nfs/dbraw/zinc/11/12/69/176111269.db2.gz NFOFRVMJAFRTOW-UHFFFAOYSA-N 0 3 270.417 2.138 10 0 CEAEHN c1cc2c(cc1[C@@H]1CNC[C@H](C3CC3)O1)OCCCO2 ZINC000071308802 176116296 /nfs/dbraw/zinc/11/62/96/176116296.db2.gz FYFJELGSCHXVIB-CVEARBPZSA-N 0 3 275.348 2.287 10 0 CEAEHN COc1ccc([C@H]2CNC[C@@H](C3CC3)O2)cc1F ZINC000071308493 176116310 /nfs/dbraw/zinc/11/63/10/176116310.db2.gz YTUTUEGCTHFGQG-UONOGXRCSA-N 0 3 251.301 2.274 10 0 CEAEHN CNCc1cc(C)ccc1O[C@H](C)C(=O)NC(C)C ZINC000071403679 176155537 /nfs/dbraw/zinc/15/55/37/176155537.db2.gz ZXXAGNZFHFKFJF-GFCCVEGCSA-N 0 3 264.369 2.006 10 0 CEAEHN CO[C@@H](CNC(=O)[C@]1(C)CCCCN1)C1CCCCC1 ZINC000662733766 415946698 /nfs/dbraw/zinc/94/66/98/415946698.db2.gz MWQYYSJLXNVSPG-HOCLYGCPSA-N 0 3 282.428 2.230 10 0 CEAEHN COc1cc(CNCCOCC(C)C)cc2c1OCCO2 ZINC000075818870 176794877 /nfs/dbraw/zinc/79/48/77/176794877.db2.gz WPMLLUIDVLCWQL-UHFFFAOYSA-N 0 3 295.379 2.229 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000078516226 177349013 /nfs/dbraw/zinc/34/90/13/177349013.db2.gz VLWMNCZLZZQGJK-NVXWUHKLSA-N 0 3 274.408 2.374 10 0 CEAEHN NCc1cccc(Oc2cncc(Br)c2)n1 ZINC000078766719 177384242 /nfs/dbraw/zinc/38/42/42/177384242.db2.gz VLJNALFHFGNONH-UHFFFAOYSA-N 0 3 280.125 2.490 10 0 CEAEHN CCOc1ccc([C@H]2N[C@@H](C)C[C@@H](C)[C@@H]2C(N)=O)cc1 ZINC000080104751 177608997 /nfs/dbraw/zinc/60/89/97/177608997.db2.gz FGEKCOHDRFDLFM-FDRIWYBQSA-N 0 3 276.380 2.246 10 0 CEAEHN C[C@H](CCN[C@H](C)c1nccn1C)NC(=O)OC(C)(C)C ZINC000183202180 260063553 /nfs/dbraw/zinc/06/35/53/260063553.db2.gz OHOOLLAEDFFGLQ-VXGBXAGGSA-N 0 3 296.415 2.374 10 0 CEAEHN Cc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)ccc1O ZINC000226718558 270310593 /nfs/dbraw/zinc/31/05/93/270310593.db2.gz CDSGPMINEZAFAQ-CQSZACIVSA-N 0 3 278.396 2.407 10 0 CEAEHN CC(C)(C)OC(=O)NCCC(C)(C)NCc1cc[nH]n1 ZINC000397442115 270354423 /nfs/dbraw/zinc/35/44/23/270354423.db2.gz FQLURXJHLLHRAC-UHFFFAOYSA-N 0 3 282.388 2.193 10 0 CEAEHN C[C@H]1CC[C@@H](O)CN1CCOc1ccccc1F ZINC000399170244 270366852 /nfs/dbraw/zinc/36/68/52/270366852.db2.gz CHFNWNZZTNHSCF-NWDGAFQWSA-N 0 3 253.317 2.050 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)C2CCC2)cc1F ZINC000399226588 270367571 /nfs/dbraw/zinc/36/75/71/270367571.db2.gz NFLGORKTYXZJKE-YGRLFVJLSA-N 0 3 264.344 2.439 10 0 CEAEHN CN1C(=O)C[C@@H](N)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062208846 273863450 /nfs/dbraw/zinc/86/34/50/273863450.db2.gz ZTQYNKILRPFDCR-KOLCDFICSA-N 0 3 259.136 2.224 10 0 CEAEHN c1ccc2[nH]c(N3CCN4CCCC[C@@H]4C3)nc2c1 ZINC000270547493 275068933 /nfs/dbraw/zinc/06/89/33/275068933.db2.gz FCRWTDRQZITOER-GFCCVEGCSA-N 0 3 256.353 2.237 10 0 CEAEHN CCC[C@H](C(=O)N1CCCC[C@H](SC)C1)N(C)C ZINC000161780664 276037395 /nfs/dbraw/zinc/03/73/95/276037395.db2.gz GUCPIKIDPPCGQV-QWHCGFSZSA-N 0 3 272.458 2.461 10 0 CEAEHN CCC[C@H](N)C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000262530431 276043046 /nfs/dbraw/zinc/04/30/46/276043046.db2.gz IBKAIHRMDVLGQV-AWEZNQCLSA-N 0 3 260.381 2.434 10 0 CEAEHN CC(C)c1ccc(-c2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263203998 276047916 /nfs/dbraw/zinc/04/79/16/276047916.db2.gz JMTKKHIPSMWQEV-CQSZACIVSA-N 0 3 286.379 2.436 10 0 CEAEHN CC(C)c1ccc([C@H](C)N[C@H](C)C(=O)NC(N)=O)cc1 ZINC000048433739 276057792 /nfs/dbraw/zinc/05/77/92/276057792.db2.gz RIRRMEOGOBWDHW-WDEREUQCSA-N 0 3 277.368 2.044 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]CC2CCC(C)CC2)C1 ZINC000263459113 276087485 /nfs/dbraw/zinc/08/74/85/276087485.db2.gz BHMDDGHZMMUDKU-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NCC2CCC(C)CC2)C1 ZINC000263459113 276087486 /nfs/dbraw/zinc/08/74/86/276087486.db2.gz BHMDDGHZMMUDKU-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NCC2CCC(C)CC2)C1 ZINC000263459113 276087488 /nfs/dbraw/zinc/08/74/88/276087488.db2.gz BHMDDGHZMMUDKU-UHFFFAOYSA-N 0 3 282.428 2.340 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000263524152 276315341 /nfs/dbraw/zinc/31/53/41/276315341.db2.gz SMPUFNBBDRXKHC-LMRVLLHPSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000263524152 276315343 /nfs/dbraw/zinc/31/53/43/276315343.db2.gz SMPUFNBBDRXKHC-LMRVLLHPSA-N 0 3 282.428 2.340 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000263524152 276315345 /nfs/dbraw/zinc/31/53/45/276315345.db2.gz SMPUFNBBDRXKHC-LMRVLLHPSA-N 0 3 282.428 2.340 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCSC(C)(C)C2)C1 ZINC000175706895 276374708 /nfs/dbraw/zinc/37/47/08/276374708.db2.gz QQMZWWLUHGYOMV-LBPRGKRZSA-N 0 3 285.457 2.008 10 0 CEAEHN CN1CCO[C@H](CN[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000183196667 277128029 /nfs/dbraw/zinc/12/80/29/277128029.db2.gz MDZOVQWQOVUZQG-GDBMZVCRSA-N 0 3 278.371 2.123 10 0 CEAEHN CN1c2ccccc2[C@@H](NCCc2cccnc2)CC1=O ZINC000037718227 277218011 /nfs/dbraw/zinc/21/80/11/277218011.db2.gz ULOSYVALRCEOFK-HNNXBMFYSA-N 0 3 281.359 2.322 10 0 CEAEHN COCC[C@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000081705873 277239067 /nfs/dbraw/zinc/23/90/67/277239067.db2.gz JTHANMBANIQOOG-WCQYABFASA-N 0 3 262.353 2.109 10 0 CEAEHN CS[C@@H]1CCC[C@@H](NC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246943744 278143974 /nfs/dbraw/zinc/14/39/74/278143974.db2.gz CJCOWOOXOSBHPH-HZSPNIEDSA-N 0 3 297.468 2.150 10 0 CEAEHN C[C@H](NC(=O)[C@H]1NCCCC1(C)C)C1CCCC1 ZINC000235517320 278250107 /nfs/dbraw/zinc/25/01/07/278250107.db2.gz SWXFWKNRKYKFRT-WCQYABFASA-N 0 3 252.402 2.460 10 0 CEAEHN C[C@H](O)CN1CCN(C/C=C\c2ccc(F)cc2)C[C@@H]1C ZINC000299736448 278294449 /nfs/dbraw/zinc/29/44/49/278294449.db2.gz NJMJCYFPCCMBOQ-CGXNLCPXSA-N 0 3 292.398 2.226 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1Nc1ccnc2ccccc21 ZINC000281660549 279027368 /nfs/dbraw/zinc/02/73/68/279027368.db2.gz ONMCJLTUXBOIFU-JQWIXIFHSA-N 0 3 255.321 2.314 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)c1ncnc(Cl)c1NC ZINC000125029302 279302281 /nfs/dbraw/zinc/30/22/81/279302281.db2.gz LWMYZTRWCMCBDW-SNVBAGLBSA-N 0 3 283.807 2.092 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)C1(CCOC)CCC1 ZINC000121806909 279324564 /nfs/dbraw/zinc/32/45/64/279324564.db2.gz XRNJHCYQYAODTK-AWEZNQCLSA-N 0 3 282.428 2.136 10 0 CEAEHN CCOC(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473189 279573079 /nfs/dbraw/zinc/57/30/79/279573079.db2.gz QGUJKBAITSCXSD-GFCCVEGCSA-N 0 3 272.414 2.046 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H]3CCC[C@H]32)C1 ZINC000245678859 280255691 /nfs/dbraw/zinc/25/56/91/280255691.db2.gz GFBHZXQRXCRIQB-SOUVJXGZSA-N 0 3 279.428 2.445 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@H]2CSC)C1 ZINC000247350088 280327485 /nfs/dbraw/zinc/32/74/85/280327485.db2.gz YAYWEBRIPBMKAC-STQMWFEESA-N 0 3 285.457 2.008 10 0 CEAEHN COC[C@H](C)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000249182107 280387676 /nfs/dbraw/zinc/38/76/76/280387676.db2.gz IVMHBIVGURSHQB-SYQHCUMBSA-N 0 3 269.385 2.075 10 0 CEAEHN CC(C)c1cccc(N(C)C(=O)C2(N)CCOCC2)c1 ZINC000261802463 280635404 /nfs/dbraw/zinc/63/54/04/280635404.db2.gz IYBRCLAFDVCAIF-UHFFFAOYSA-N 0 3 276.380 2.281 10 0 CEAEHN Cc1ccc2nccc(N3CC[C@@H](N4CCOCC4)C3)c2c1 ZINC000185736457 281170396 /nfs/dbraw/zinc/17/03/96/281170396.db2.gz ALUYSYMZOJEAPL-OAHLLOKOSA-N 0 3 297.402 2.454 10 0 CEAEHN CCC[C@@H](NC[C@@H](C)N1CCOCC1)c1ccccn1 ZINC000158557435 289236004 /nfs/dbraw/zinc/23/60/04/289236004.db2.gz GYDDRFSCYJGEHL-HUUCEWRRSA-N 0 3 277.412 2.233 10 0 CEAEHN CCC[C@H](C(=O)NCC(C)(C)N1CCCCC1)N(C)C ZINC000158880163 289241850 /nfs/dbraw/zinc/24/18/50/289241850.db2.gz MZWYTRDELWAYRF-CQSZACIVSA-N 0 3 283.460 2.097 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCC[C@H](SCC)C1 ZINC000262460816 289259698 /nfs/dbraw/zinc/25/96/98/289259698.db2.gz JSYVGZKRVUDIMV-SRVKXCTJSA-N 0 3 258.431 2.294 10 0 CEAEHN C[C@H]1CC2(CCC2)CN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000334551769 290362314 /nfs/dbraw/zinc/36/23/14/290362314.db2.gz YRJWWEODYIQSGZ-DZGCQCFKSA-N 0 3 292.423 2.031 10 0 CEAEHN NC1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000037616677 303356172 /nfs/dbraw/zinc/35/61/72/303356172.db2.gz CPIJHHYXXUEDJR-NXEZZACHSA-N 0 3 278.318 2.495 10 0 CEAEHN CC(C)n1nnnc1CN[C@H](C)C1CCCCC1 ZINC000182933449 321703853 /nfs/dbraw/zinc/70/38/53/321703853.db2.gz NBPAUQPMLTXECH-LLVKDONJSA-N 0 3 251.378 2.312 10 0 CEAEHN OC[C@@H]1C[C@H]1NCc1ccc(C(F)(F)F)s1 ZINC000381576866 321835199 /nfs/dbraw/zinc/83/51/99/321835199.db2.gz BOAYWQDEZXKUMC-POYBYMJQSA-N 0 3 251.273 2.237 10 0 CEAEHN CC(C)C[C@@H]1CSC(N[C@H]2CCN3CCC[C@H]23)=N1 ZINC000049569652 519277045 /nfs/dbraw/zinc/27/70/45/519277045.db2.gz VNEBCDSTYRMKMR-FRRDWIJNSA-N 0 3 267.442 2.330 10 0 CEAEHN CC(C)NC(=O)[C@@H](CN)Cc1cc2ccccc2o1 ZINC000068811038 519713949 /nfs/dbraw/zinc/71/39/49/519713949.db2.gz RPJJZGOTIBMVQX-GFCCVEGCSA-N 0 3 260.337 2.075 10 0 CEAEHN CCNCc1cc(CN2C[C@H](C)C[C@H](C)C2)on1 ZINC000052420673 519992023 /nfs/dbraw/zinc/99/20/23/519992023.db2.gz OBYVVNIZZCULTQ-TXEJJXNPSA-N 0 3 251.374 2.262 10 0 CEAEHN CCCN[C@@H](CCc1ccccc1)CS(C)(=O)=O ZINC000052789201 520007368 /nfs/dbraw/zinc/00/73/68/520007368.db2.gz PEFRVQKMPMQAQQ-AWEZNQCLSA-N 0 3 269.410 2.032 10 0 CEAEHN CCNCc1ccoc1CN(CC)[C@H](C)COC ZINC000052504761 520009772 /nfs/dbraw/zinc/00/97/72/520009772.db2.gz GJNXEPXMENTPGP-GFCCVEGCSA-N 0 3 254.374 2.246 10 0 CEAEHN CCCN[C@@H](CN(C)C(C)(C)CC)C(=O)OCC ZINC000069446470 520006355 /nfs/dbraw/zinc/00/63/55/520006355.db2.gz BBSNHLDQXBITLN-LBPRGKRZSA-N 0 3 258.406 2.038 10 0 CEAEHN CCNCc1nc(-n2nc(C)nc2C)ccc1Cl ZINC000051488302 520021472 /nfs/dbraw/zinc/02/14/72/520021472.db2.gz ANEKCVWZRKCUGB-UHFFFAOYSA-N 0 3 265.748 2.042 10 0 CEAEHN CCNCc1nc(CN(CCOC)CC(C)C)cs1 ZINC000052508328 520019796 /nfs/dbraw/zinc/01/97/96/520019796.db2.gz UQRNLHWJJXDJED-UHFFFAOYSA-N 0 3 285.457 2.357 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1CCCC(C)(C)C1)C(=O)[O-] ZINC000069516967 520036254 /nfs/dbraw/zinc/03/62/54/520036254.db2.gz APODBBYAYDVORR-HNNXBMFYSA-N 0 3 270.417 2.341 10 0 CEAEHN CCCN[C@H](CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439119 520071657 /nfs/dbraw/zinc/07/16/57/520071657.db2.gz LIQGLFVLJULCFE-CQSZACIVSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCN[C@H](CC[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439119 520071668 /nfs/dbraw/zinc/07/16/68/520071668.db2.gz LIQGLFVLJULCFE-CQSZACIVSA-N 0 3 270.417 2.484 10 0 CEAEHN CCCCCNC(=O)[C@@H](C)N[C@H](CC(C)C)CN(C)C ZINC000049555838 520211316 /nfs/dbraw/zinc/21/13/16/520211316.db2.gz TZRCIOOLNXMBAM-HUUCEWRRSA-N 0 3 285.476 2.247 10 0 CEAEHN CCNc1ncccc1CN1CCC[C@H]1CCCO ZINC000052763228 520378916 /nfs/dbraw/zinc/37/89/16/520378916.db2.gz RPABWRXHNHQELZ-AWEZNQCLSA-N 0 3 263.385 2.250 10 0 CEAEHN CCC[C@@H](N[C@H](C)C(=O)NC(=O)NC)c1cccs1 ZINC000049544527 520790896 /nfs/dbraw/zinc/79/08/96/520790896.db2.gz DGNXTUHJYJXUBS-NXEZZACHSA-N 0 3 283.397 2.023 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1ccc(N)cc1OC ZINC000069427731 521300155 /nfs/dbraw/zinc/30/01/55/521300155.db2.gz WCOIXAKHJOCRPR-UHFFFAOYSA-N 0 3 279.384 2.336 10 0 CEAEHN CCC(C)(C)N(C)CC(=O)Nc1ccccc1C(N)=S ZINC000069433863 521301487 /nfs/dbraw/zinc/30/14/87/521301487.db2.gz RDGVUNFZYFUZMC-UHFFFAOYSA-N 0 3 293.436 2.380 10 0 CEAEHN CCCc1nc(N(CC)CCOC)sc1CN ZINC000055000722 521531342 /nfs/dbraw/zinc/53/13/42/521531342.db2.gz CKGIOCCHWMDVOJ-UHFFFAOYSA-N 0 3 257.403 2.027 10 0 CEAEHN CCC(CC)N(CCOC)c1ncc(CN)s1 ZINC000054898388 521562129 /nfs/dbraw/zinc/56/21/29/521562129.db2.gz PLRJQSVAPQJCDN-UHFFFAOYSA-N 0 3 257.403 2.243 10 0 CEAEHN CN[C@@H](C)c1cnc(N2CCC(OC)CC2)s1 ZINC000054903184 522338117 /nfs/dbraw/zinc/33/81/17/522338117.db2.gz GEKDRRKFRXPLHZ-VIFPVBQESA-N 0 3 255.387 2.039 10 0 CEAEHN CN[C@H](CSC)c1ccc2c(c1)OCCCO2 ZINC000055229736 522470120 /nfs/dbraw/zinc/47/01/20/522470120.db2.gz LCTCHYOIENUODP-LLVKDONJSA-N 0 3 253.367 2.471 10 0 CEAEHN Cc1cc(NCc2ccc3c(c2)CNC3)nc(C)n1 ZINC000097830053 533999271 /nfs/dbraw/zinc/99/92/71/533999271.db2.gz NVSVHLIYMJHPSM-UHFFFAOYSA-N 0 3 254.337 2.309 10 0 CEAEHN Cc1cc(C)nc(NCc2ccc3c(c2)CNC3)n1 ZINC000097830145 534142283 /nfs/dbraw/zinc/14/22/83/534142283.db2.gz OWRNULBEULPAHR-UHFFFAOYSA-N 0 3 254.337 2.309 10 0 CEAEHN CC(C)(C)C1CCN(CC[C@@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062530620 518607254 /nfs/dbraw/zinc/60/72/54/518607254.db2.gz AHDXFTAVJWCIFV-CQSZACIVSA-N 0 3 282.428 2.340 10 0 CEAEHN CC(C)(C)C1CC[NH+](CC[C@@H](NC2CC2)C(=O)[O-])CC1 ZINC000062530620 518607262 /nfs/dbraw/zinc/60/72/62/518607262.db2.gz AHDXFTAVJWCIFV-CQSZACIVSA-N 0 3 282.428 2.340 10 0 CEAEHN CC(C)(C)NC(=O)[C@@H](CN)Cc1cc2ccccc2o1 ZINC000068811058 518744362 /nfs/dbraw/zinc/74/43/62/518744362.db2.gz NEBNGZLFWNHMRQ-GFCCVEGCSA-N 0 3 274.364 2.465 10 0 CEAEHN CC(C)(C)NCc1nc(Cn2cccn2)cs1 ZINC000052574784 518768256 /nfs/dbraw/zinc/76/82/56/518768256.db2.gz LMJQLIDSUFRYCR-UHFFFAOYSA-N 0 3 250.371 2.276 10 0 CEAEHN CC(C)Cc1ccc([C@@H](N)CN2CCN(C)C2=O)cc1 ZINC000052885760 519446582 /nfs/dbraw/zinc/44/65/82/519446582.db2.gz ONUQCWPMFZYFHT-HNNXBMFYSA-N 0 3 275.396 2.252 10 0 CEAEHN CC(C)NCc1cc2ccccc2nc1N1CC[C@H](O)C1 ZINC000061711282 519726903 /nfs/dbraw/zinc/72/69/03/519726903.db2.gz RZDHYNJRBWAYAY-HNNXBMFYSA-N 0 3 285.391 2.304 10 0 CEAEHN CC(C)N[C@H](CCSc1cc(F)ccc1F)C(N)=O ZINC000062600693 519738430 /nfs/dbraw/zinc/73/84/30/519738430.db2.gz GLMZHARWOBVYCV-LLVKDONJSA-N 0 3 288.363 2.299 10 0 CEAEHN CC(=O)Nc1ccccc1OCc1cccnc1CN ZINC000061657296 519751294 /nfs/dbraw/zinc/75/12/94/519751294.db2.gz WUSPSZDKVYDFBB-UHFFFAOYSA-N 0 3 271.320 2.078 10 0 CEAEHN CCCN1CCN(CCNc2ccccc2F)CC1 ZINC000053344715 519858595 /nfs/dbraw/zinc/85/85/95/519858595.db2.gz WCFWAMVWBWENLY-UHFFFAOYSA-N 0 3 265.376 2.265 10 0 CEAEHN CCCNC(=O)COc1ccc2c(c1)OC[C@H]2NCCC ZINC000062805235 519881099 /nfs/dbraw/zinc/88/10/99/519881099.db2.gz KHLNEWLPUSIGAK-CQSZACIVSA-N 0 3 292.379 2.025 10 0 CEAEHN CCCC1CCC(N[C@@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000049543836 519899495 /nfs/dbraw/zinc/89/94/95/519899495.db2.gz HWIGWSXEBJPYHG-ORHYLEIMSA-N 0 3 278.396 2.225 10 0 CEAEHN CCCC1CCN(CC[C@H](NC)C(=O)OCC)CC1 ZINC000062531017 519901539 /nfs/dbraw/zinc/90/15/39/519901539.db2.gz CKTZVQJHECXEKX-AWEZNQCLSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCC1CCN(CC[C@@H](NCC)C(=O)OC)CC1 ZINC000062531157 519901649 /nfs/dbraw/zinc/90/16/49/519901649.db2.gz JQYLVUBXCRLIEI-CQSZACIVSA-N 0 3 270.417 2.040 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000061287018 519907155 /nfs/dbraw/zinc/90/71/55/519907155.db2.gz HVOIGFBNLRWPJK-UHFFFAOYSA-N 0 3 266.341 2.030 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccnc1OC(C)C ZINC000061298962 519907969 /nfs/dbraw/zinc/90/79/69/519907969.db2.gz PXFUZHZPWRSKJU-UHFFFAOYSA-N 0 3 265.357 2.195 10 0 CEAEHN CCCNCc1coc(CN(CCOC)[C@H](C)COC)c1 ZINC000052572391 519964324 /nfs/dbraw/zinc/96/43/24/519964324.db2.gz PWUOPLNSVQVUGN-CQSZACIVSA-N 0 3 298.427 2.263 10 0 CEAEHN CCNCc1c(C)nn(C)c1N(CC)CC1CC1 ZINC000069238800 519982913 /nfs/dbraw/zinc/98/29/13/519982913.db2.gz MBXWTNDCWHTIJZ-UHFFFAOYSA-N 0 3 250.390 2.074 10 0 CEAEHN CCNCc1cc(Cl)ccc1OC[C@@H](O)COCC ZINC000069274963 519990695 /nfs/dbraw/zinc/99/06/95/519990695.db2.gz IJZCJRWPBGULOT-ZDUSSCGKSA-N 0 3 287.787 2.226 10 0 CEAEHN CCCN[C@@H](CCN1CCC(CC)CC1)C(=O)OCC ZINC000062526322 520000084 /nfs/dbraw/zinc/00/00/84/520000084.db2.gz XTMOGLLECPTSIV-HNNXBMFYSA-N 0 3 284.444 2.430 10 0 CEAEHN CCNCc1cccc(OC)c1OCc1ncccn1 ZINC000054458443 520007008 /nfs/dbraw/zinc/00/70/08/520007008.db2.gz ZHTRNBXJHSCTAL-UHFFFAOYSA-N 0 3 273.336 2.174 10 0 CEAEHN CCCN[C@@H](Cc1cccc(Cl)c1)CS(C)(=O)=O ZINC000052789171 520012790 /nfs/dbraw/zinc/01/27/90/520012790.db2.gz IZFSIECCOBVLLC-ZDUSSCGKSA-N 0 3 289.828 2.295 10 0 CEAEHN CCCN[C@@H]1CCN(c2ccc(F)c(F)c2F)C1=O ZINC000049647355 520025408 /nfs/dbraw/zinc/02/54/08/520025408.db2.gz GUNHYEZETACBET-SECBINFHSA-N 0 3 272.270 2.209 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCC(=O)OC(C)C)ccc21 ZINC000062804965 520027385 /nfs/dbraw/zinc/02/73/85/520027385.db2.gz RLOSKIZRWWVFDI-CQSZACIVSA-N 0 3 293.363 2.450 10 0 CEAEHN CCN[C@@H](C)c1cc(C)ccc1OC[C@@H](O)COC ZINC000069053638 520074229 /nfs/dbraw/zinc/07/42/29/520074229.db2.gz LZLOQRWBQKQFPL-STQMWFEESA-N 0 3 267.369 2.052 10 0 CEAEHN CCCN[C@H](c1ccc2c(c1)CCO2)[C@H]1COCCO1 ZINC000055300473 520090314 /nfs/dbraw/zinc/09/03/14/520090314.db2.gz BUQASXQQETVKCR-HZPDHXFCSA-N 0 3 277.364 2.078 10 0 CEAEHN CCN[C@@H](c1cc(C)ccc1OCC)[C@@H]1COCCO1 ZINC000055301429 520107537 /nfs/dbraw/zinc/10/75/37/520107537.db2.gz RLEFWSXZMKGCRC-HOTGVXAUSA-N 0 3 279.380 2.460 10 0 CEAEHN CCN(C(=O)c1cc[nH]c(=NN)c1)c1ccc(C)cc1 ZINC000051114015 520109777 /nfs/dbraw/zinc/10/97/77/520109777.db2.gz UNOFRWKDTOFEGK-UHFFFAOYSA-N 0 3 270.336 2.342 10 0 CEAEHN CCCN[C@](CN1CCC(C)CC1)(C(=O)OC)C1CC1 ZINC000069092484 520121973 /nfs/dbraw/zinc/12/19/73/520121973.db2.gz VXXDAHFPNYOQGP-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCCN[C@](CO[C@@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196124 520123073 /nfs/dbraw/zinc/12/30/73/520123073.db2.gz RJWUOTDDKROIAB-BJJXKVORSA-N 0 3 282.428 2.215 10 0 CEAEHN CCN[C@@H]1COc2cc(OCc3cnn(C)c3)ccc21 ZINC000062804675 520123959 /nfs/dbraw/zinc/12/39/59/520123959.db2.gz QCPDXNNBUWECSO-CQSZACIVSA-N 0 3 273.336 2.042 10 0 CEAEHN CCN[C@H](C)c1ccccc1OCCCC(=O)NC ZINC000068816331 520181548 /nfs/dbraw/zinc/18/15/48/520181548.db2.gz XKYYLJSKKWLMRW-GFCCVEGCSA-N 0 3 264.369 2.262 10 0 CEAEHN CCCNc1ccnc(C(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000061655983 520182680 /nfs/dbraw/zinc/18/26/80/520182680.db2.gz WZPLBPKAUZPOQY-CQSZACIVSA-N 0 3 290.411 2.070 10 0 CEAEHN CCCNc1ncccc1C(=O)N[C@H](CN(C)C)C(C)C ZINC000050779694 520193880 /nfs/dbraw/zinc/19/38/80/520193880.db2.gz SKGKXQOGQJPUDV-CQSZACIVSA-N 0 3 292.427 2.220 10 0 CEAEHN CCN[C@H](Cc1ccc(OC)cc1)c1nccn1C ZINC000069473624 520202631 /nfs/dbraw/zinc/20/26/31/520202631.db2.gz WAVJDFKUFUAUPM-CQSZACIVSA-N 0 3 259.353 2.322 10 0 CEAEHN CCN[C@H](Cn1ncccc1=O)c1ccc(CC)cc1 ZINC000061402155 520206483 /nfs/dbraw/zinc/20/64/83/520206483.db2.gz YAIAPDXMSXQDSZ-OAHLLOKOSA-N 0 3 271.364 2.157 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)CCC2)[C@H]1COCCO1 ZINC000055300135 520210423 /nfs/dbraw/zinc/21/04/23/520210423.db2.gz NPMAJUXLFGNDJI-HZPDHXFCSA-N 0 3 261.365 2.241 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1cccc(OCC)c1)C(N)=O ZINC000068658311 520243420 /nfs/dbraw/zinc/24/34/20/520243420.db2.gz ISDMGADESMWQIB-BLLLJJGKSA-N 0 3 294.395 2.096 10 0 CEAEHN CCNc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000061656055 520283626 /nfs/dbraw/zinc/28/36/26/520283626.db2.gz GRHLPKZBVBQISF-OAHLLOKOSA-N 0 3 275.396 2.285 10 0 CEAEHN CCO[C@@H]1CCCN(c2ncc([C@@H](C)NC)s2)C1 ZINC000054909592 520322386 /nfs/dbraw/zinc/32/23/86/520322386.db2.gz SWYFJZQDKITLJA-GHMZBOCLSA-N 0 3 269.414 2.429 10 0 CEAEHN CCCOc1ccc(O[C@@H](C)C[C@](C)(NC)C(N)=O)cc1 ZINC000068657277 520410109 /nfs/dbraw/zinc/41/01/09/520410109.db2.gz YMIFXQBPNMQCTF-LRDDRELGSA-N 0 3 294.395 2.096 10 0 CEAEHN CC1(C)CN(Cc2ccoc2CNC2CC2)CCO1 ZINC000052481809 520487992 /nfs/dbraw/zinc/48/79/92/520487992.db2.gz OTUMIXGPYCQYSH-UHFFFAOYSA-N 0 3 264.369 2.142 10 0 CEAEHN CCCC[N@H+](CC[C@@H](NCC)C(=O)[O-])[C@@H](C)CC ZINC000062527614 520539298 /nfs/dbraw/zinc/53/92/98/520539298.db2.gz XPTTVLHKERIOSH-QWHCGFSZSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCC[N@@H+](CC[C@@H](NCC)C(=O)[O-])[C@@H](C)CC ZINC000062527614 520539304 /nfs/dbraw/zinc/53/93/04/520539304.db2.gz XPTTVLHKERIOSH-QWHCGFSZSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCCN(C[C@](NC1CC1)(C(=O)OC)C1CC1)C1CC1 ZINC000069131799 520542145 /nfs/dbraw/zinc/54/21/45/520542145.db2.gz HTTOQCMWQPCENN-QGZVFWFLSA-N 0 3 294.439 2.325 10 0 CEAEHN CC[NH+](CC)[C@H]1CCN(CC(=O)c2cc(F)ccc2[O-])C1 ZINC000062966961 520873159 /nfs/dbraw/zinc/87/31/59/520873159.db2.gz MVYANXPWONRNKT-ZDUSSCGKSA-N 0 3 294.370 2.130 10 0 CEAEHN CCN(CC1CC1)[C@H](C)C(=O)Nc1cc(N)ccc1OC ZINC000069237161 520967495 /nfs/dbraw/zinc/96/74/95/520967495.db2.gz KZYCJZXOJGGCPL-LLVKDONJSA-N 0 3 291.395 2.336 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCC[C@@H](CC)C1)NC(C)C ZINC000062449664 521244408 /nfs/dbraw/zinc/24/44/08/521244408.db2.gz JKICLJCKLYPHAK-CABCVRRESA-N 0 3 284.444 2.428 10 0 CEAEHN CCOc1cccc(CNC(C)(C)C)c1O[C@H](C)C(N)=O ZINC000062732680 521358437 /nfs/dbraw/zinc/35/84/37/521358437.db2.gz HINDIGPFZPHCII-LLVKDONJSA-N 0 3 294.395 2.226 10 0 CEAEHN CCCc1ccc([C@@H](N)CN2CCN(C)C2=O)cc1 ZINC000052885716 521413943 /nfs/dbraw/zinc/41/39/43/521413943.db2.gz XSDGYDKHXUEYQG-AWEZNQCLSA-N 0 3 261.369 2.006 10 0 CEAEHN CCCc1ccc([C@H](N)CN2CCN(C)C2=O)cc1 ZINC000052885715 521419646 /nfs/dbraw/zinc/41/96/46/521419646.db2.gz XSDGYDKHXUEYQG-CQSZACIVSA-N 0 3 261.369 2.006 10 0 CEAEHN CCN(Cc1nc(NN)ccc1Cl)C[C@H]1CCCO1 ZINC000061631329 521452604 /nfs/dbraw/zinc/45/26/04/521452604.db2.gz FJMRETQKJQGQOS-SNVBAGLBSA-N 0 3 284.791 2.022 10 0 CEAEHN CCN(Cc1occc1CNC1CC1)[C@H](C)COC ZINC000052504767 521470830 /nfs/dbraw/zinc/47/08/30/521470830.db2.gz KAZIKTISGBSYEC-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN CCOc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000183173230 521529312 /nfs/dbraw/zinc/52/93/12/521529312.db2.gz XOZKSYRFNABJGJ-OCCSQVGLSA-N 0 3 292.379 2.181 10 0 CEAEHN CCOc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000183173247 521529852 /nfs/dbraw/zinc/52/98/52/521529852.db2.gz XOZKSYRFNABJGJ-GXTWGEPZSA-N 0 3 292.379 2.181 10 0 CEAEHN CCCc1noc(COc2c(CNC)cccc2OC)n1 ZINC000049338855 521586264 /nfs/dbraw/zinc/58/62/64/521586264.db2.gz OCRSDZCXPDOJQJ-UHFFFAOYSA-N 0 3 291.351 2.329 10 0 CEAEHN CCN1CCC[C@H](N2C(=S)N=NC2C2CC2)C1 ZINC000049219375 521650569 /nfs/dbraw/zinc/65/05/69/521650569.db2.gz AOPJDRUOMZRUIP-JTQLQIEISA-N 0 3 252.387 2.101 10 0 CEAEHN CCOC1CCN(c2ccccc2CNCCOC)CC1 ZINC000062736620 521658219 /nfs/dbraw/zinc/65/82/19/521658219.db2.gz LEGLUUVLUNCPQC-UHFFFAOYSA-N 0 3 292.423 2.428 10 0 CEAEHN CCCN(CCO)Cc1cc2ccccc2nc1N ZINC000050815772 521667047 /nfs/dbraw/zinc/66/70/47/521667047.db2.gz KBQWFKRJZSLTCG-UHFFFAOYSA-N 0 3 259.353 2.021 10 0 CEAEHN CCN1CCN([C@H](CN)c2cc3ccccc3o2)CC1 ZINC000068810794 521694959 /nfs/dbraw/zinc/69/49/59/521694959.db2.gz OSMKAGBFYNALEA-CQSZACIVSA-N 0 3 273.380 2.070 10 0 CEAEHN CCSc1cccc(CNC[C@H]2CN(C)CCO2)c1 ZINC000185518848 521756621 /nfs/dbraw/zinc/75/66/21/521756621.db2.gz GSJHJTKCLNREIW-AWEZNQCLSA-N 0 3 280.437 2.219 10 0 CEAEHN CN(C)C[C@@H](NC(=O)Nc1ccon1)c1ccccc1 ZINC000183541971 521823921 /nfs/dbraw/zinc/82/39/21/521823921.db2.gz CRUOAGOXOZIEKV-GFCCVEGCSA-N 0 3 274.324 2.099 10 0 CEAEHN COCC[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000052807919 521824045 /nfs/dbraw/zinc/82/40/45/521824045.db2.gz ODBDFKGHJDWEPS-CHWSQXEVSA-N 0 3 294.395 2.082 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1nc2c(s1)[C@H](O)CCC2 ZINC000061655537 521845624 /nfs/dbraw/zinc/84/56/24/521845624.db2.gz FDBRUMFKHKJSQP-CMPLNLGQSA-N 0 3 281.425 2.043 10 0 CEAEHN CCc1ccccc1O[C@@H](C)C[C@@](C)(NC1CC1)C(N)=O ZINC000068657439 521925685 /nfs/dbraw/zinc/92/56/85/521925685.db2.gz AEGGMYUBWHLQJV-YVEFUNNKSA-N 0 3 290.407 2.402 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000163606433 522053586 /nfs/dbraw/zinc/05/35/86/522053586.db2.gz SHOXFGXZPHSFRO-YRGRVCCFSA-N 0 3 294.345 2.231 10 0 CEAEHN CC[C@@H](C)N(C)c1ncc(CNCCOC)s1 ZINC000054902722 522067225 /nfs/dbraw/zinc/06/72/25/522067225.db2.gz RQCLQFCWXULBJI-SNVBAGLBSA-N 0 3 257.403 2.114 10 0 CEAEHN CC[C@@H](C)N(CCOC)Cc1ccc(NC)nc1 ZINC000050817003 522092021 /nfs/dbraw/zinc/09/20/21/522092021.db2.gz SHVZHNMBXOJETO-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@H](C)C(=O)NC1CC1 ZINC000062746504 522332637 /nfs/dbraw/zinc/33/26/37/522332637.db2.gz KIVVYXBSMJTCPF-VHSXEESVSA-N 0 3 280.343 2.152 10 0 CEAEHN CN[C@@H]1COc2cc(OCc3cc(C)no3)ccc21 ZINC000062804184 522400371 /nfs/dbraw/zinc/40/03/71/522400371.db2.gz BUPPQMJIILZIPH-CYBMUJFWSA-N 0 3 260.293 2.215 10 0 CEAEHN CN[C@@H]1COc2cc(O[C@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000062804386 522400551 /nfs/dbraw/zinc/40/05/51/522400551.db2.gz ZMDXOQDSPPVBLK-ZWNOBZJWSA-N 0 3 292.379 2.022 10 0 CEAEHN CN[C@@](C)(C[C@@H](C)Oc1ccccc1C(C)C)C(N)=O ZINC000068657023 522416043 /nfs/dbraw/zinc/41/60/43/522416043.db2.gz TZQAOGZTKMXDLX-WBMJQRKESA-N 0 3 278.396 2.431 10 0 CEAEHN CN[C@H](C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000052395851 522438256 /nfs/dbraw/zinc/43/82/56/522438256.db2.gz KOLJCYUCTQGIPT-CYBMUJFWSA-N 0 3 275.396 2.469 10 0 CEAEHN CN[C@H](c1cnccn1)C1(c2ccccc2)CCOCC1 ZINC000069499936 522485140 /nfs/dbraw/zinc/48/51/40/522485140.db2.gz BUMIQSQOHYEYOE-MRXNPFEDSA-N 0 3 283.375 2.486 10 0 CEAEHN CNc1c(F)cc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1F ZINC000063007235 522543665 /nfs/dbraw/zinc/54/36/65/522543665.db2.gz FTPTVFXMPUFSNZ-NSHDSACASA-N 0 3 297.349 2.173 10 0 CEAEHN CCn1c2cccc(F)c2nc1[C@H](N)CCOC ZINC000052785261 523271943 /nfs/dbraw/zinc/27/19/43/523271943.db2.gz KPONGDOMRZNHTK-SNVBAGLBSA-N 0 3 251.305 2.232 10 0 CEAEHN CC[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(CN)c2)C1 ZINC000068602168 523305235 /nfs/dbraw/zinc/30/52/35/523305235.db2.gz GJJHVYPHPCSICF-OCCSQVGLSA-N 0 3 296.436 2.392 10 0 CEAEHN CC[C@H]1COCCN1Cc1occc1CNC(C)C ZINC000052481432 523335848 /nfs/dbraw/zinc/33/58/48/523335848.db2.gz KWCJYMNCUACQJN-AWEZNQCLSA-N 0 3 266.385 2.388 10 0 CEAEHN CN(Cc1ccccc1)C(=O)[C@H](CN)c1ccccc1 ZINC000061610771 523337930 /nfs/dbraw/zinc/33/79/30/523337930.db2.gz HWSQHKHCDXKLEO-MRXNPFEDSA-N 0 3 268.360 2.388 10 0 CEAEHN CC[C@H]1COCCN1c1nc2c(s1)[C@H](N)CCC2 ZINC000054896011 523338148 /nfs/dbraw/zinc/33/81/48/523338148.db2.gz XBAHSSPGVHDRCF-VHSXEESVSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@H]1CO[C@@H](C)CN1Cc1cc(CN)oc1C ZINC000052571058 523344670 /nfs/dbraw/zinc/34/46/70/523344670.db2.gz RLTUJPFTXNLYBK-GWCFXTLKSA-N 0 3 252.358 2.046 10 0 CEAEHN CC[C@@H]1CC[C@H](N)[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000061702556 523368175 /nfs/dbraw/zinc/36/81/75/523368175.db2.gz DWLTZYFNNKCMAR-KWCYVHTRSA-N 0 3 267.394 2.366 10 0 CEAEHN CN(Cc1ccnc(C(=N)N)c1)Cc1ccccc1F ZINC000068761311 523452596 /nfs/dbraw/zinc/45/25/96/523452596.db2.gz AYFDCOOTOZMQMU-UHFFFAOYSA-N 0 3 272.327 2.137 10 0 CEAEHN CC[C@@H]1COCCN1c1ccc(F)cc1CNCCOC ZINC000062736317 523500943 /nfs/dbraw/zinc/50/09/43/523500943.db2.gz QXRAQPDYSQQXOY-OAHLLOKOSA-N 0 3 296.386 2.177 10 0 CEAEHN CN(Cc1nc(NN)ccc1Cl)CC1CCC1 ZINC000061639142 523555152 /nfs/dbraw/zinc/55/51/52/523555152.db2.gz ZSDHOEZQINYSAR-UHFFFAOYSA-N 0 3 254.765 2.253 10 0 CEAEHN COc1ccc(C(C)=O)cc1CN1CCC[C@@H]1CN(C)C ZINC000061645748 523793047 /nfs/dbraw/zinc/79/30/47/523793047.db2.gz HNWMCJPLGZPLLR-MRXNPFEDSA-N 0 3 290.407 2.424 10 0 CEAEHN COc1ccc(C)cc1Cn1nc(C)c(CN)c1C ZINC000050705863 523817855 /nfs/dbraw/zinc/81/78/55/523817855.db2.gz AEYQZQQFPJPODO-UHFFFAOYSA-N 0 3 259.353 2.324 10 0 CEAEHN COCCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000049507499 523909248 /nfs/dbraw/zinc/90/92/48/523909248.db2.gz ICCFKPSLIWLAAD-WDEREUQCSA-N 0 3 284.425 2.167 10 0 CEAEHN CC[C@H](C)N(CCOC)c1ccc(CNCC(C)C)nn1 ZINC000051517799 523939448 /nfs/dbraw/zinc/93/94/48/523939448.db2.gz IBIDEDJUXQZWCV-AWEZNQCLSA-N 0 3 294.443 2.474 10 0 CEAEHN COCCNC[C@@H](O)c1cccc(Cl)c1Cl ZINC000055030373 523939932 /nfs/dbraw/zinc/93/99/32/523939932.db2.gz LMOXHKJHGDMKEA-SNVBAGLBSA-N 0 3 264.152 2.263 10 0 CEAEHN COCCNCc1ccccc1N(C)C1CCOCC1 ZINC000062736295 523954756 /nfs/dbraw/zinc/95/47/56/523954756.db2.gz VBZHXUMGLNDPDY-UHFFFAOYSA-N 0 3 278.396 2.038 10 0 CEAEHN CC[C@H](C)N1CCN(c2ccc(N)cc2F)CC1 ZINC000055066355 523960949 /nfs/dbraw/zinc/96/09/49/523960949.db2.gz IDRFVRUEVYRQBA-NSHDSACASA-N 0 3 251.349 2.328 10 0 CEAEHN COCCN[C@@](CO)(CC(C)C)c1ccccc1 ZINC000053292615 523961160 /nfs/dbraw/zinc/96/11/60/523961160.db2.gz DSYNDNCANCUAGG-OAHLLOKOSA-N 0 3 251.370 2.156 10 0 CEAEHN CN1CC[C@H](Nc2ccc(Cl)cc2C(N)=S)C1 ZINC000052858612 523989461 /nfs/dbraw/zinc/98/94/61/523989461.db2.gz JZWAOQQJZGVATM-VIFPVBQESA-N 0 3 269.801 2.090 10 0 CEAEHN Cc1ccc(C)c(CC(=O)N2[C@H](C)CNC[C@H]2C)c1 ZINC000069133230 524090676 /nfs/dbraw/zinc/09/06/76/524090676.db2.gz UHEPBNCXWNCHMU-ZIAGYGMSSA-N 0 3 260.381 2.055 10 0 CEAEHN C[C@@H]1CCC[N@H+](CC[C@](C)(NC2CC2)C(=O)[O-])[C@@H]1C ZINC000050567266 524230178 /nfs/dbraw/zinc/23/01/78/524230178.db2.gz XFPVNRCYJPJSBB-JMSVASOKSA-N 0 3 268.401 2.092 10 0 CEAEHN C[C@@H]1CCC[N@@H+](CC[C@](C)(NC2CC2)C(=O)[O-])[C@@H]1C ZINC000050567266 524230194 /nfs/dbraw/zinc/23/01/94/524230194.db2.gz XFPVNRCYJPJSBB-JMSVASOKSA-N 0 3 268.401 2.092 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(F)c(F)c2)N1 ZINC000049575594 524267746 /nfs/dbraw/zinc/26/77/46/524267746.db2.gz NLPLQJZFXPSGSP-RNCFNFMXSA-N 0 3 268.307 2.112 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1ccc(Cl)c(N)c1 ZINC000049149106 524316225 /nfs/dbraw/zinc/31/62/25/524316225.db2.gz KNIKPIBCPVPGKA-SNVBAGLBSA-N 0 3 281.787 2.136 10 0 CEAEHN C[C@H]1CC[C@H](C(=O)N(CCN(C)C)Cc2ccccc2)O1 ZINC000151038625 524378442 /nfs/dbraw/zinc/37/84/42/524378442.db2.gz UMHBTCXHENZIPU-GOEBONIOSA-N 0 3 290.407 2.144 10 0 CEAEHN Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC[C@H](C)O2)o1 ZINC000151040841 524405499 /nfs/dbraw/zinc/40/54/99/524405499.db2.gz QWEVEFLSEOLEEZ-ZFWWWQNUSA-N 0 3 294.395 2.046 10 0 CEAEHN C[C@@H](CN1CCCC1)N1C(=S)N=NC1c1ccccn1 ZINC000049184529 524595121 /nfs/dbraw/zinc/59/51/21/524595121.db2.gz WECBGYFMUVNREU-NSHDSACASA-N 0 3 289.408 2.286 10 0 CEAEHN C[C@H]1CN(Cc2cc(CNC(C)(C)C)co2)CCO1 ZINC000052382594 524612533 /nfs/dbraw/zinc/61/25/33/524612533.db2.gz ONHIKQSARUFERI-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN C[C@H]1CN(c2cc(Cl)ccc2CN)C[C@H](C)O1 ZINC000062786721 524666877 /nfs/dbraw/zinc/66/68/77/524666877.db2.gz PMLDYQZNMUPUTR-UWVGGRQHSA-N 0 3 254.761 2.412 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc2ccccc2n1 ZINC000069133405 524699710 /nfs/dbraw/zinc/69/97/10/524699710.db2.gz MPSNMOURJAVUMN-RYUDHWBXSA-N 0 3 269.348 2.057 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc2ncccc2c1 ZINC000069133232 524700283 /nfs/dbraw/zinc/70/02/83/524700283.db2.gz BOIHFDIDYOCMDQ-RYUDHWBXSA-N 0 3 269.348 2.057 10 0 CEAEHN Cc1cccc(O[C@@H](C)C[C@](C)(NC(C)C)C(N)=O)c1 ZINC000068656269 524777398 /nfs/dbraw/zinc/77/73/98/524777398.db2.gz KEMNMKAZSNHBRD-BBRMVZONSA-N 0 3 278.396 2.394 10 0 CEAEHN Cc1cc(F)ccc1NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049630877 524997052 /nfs/dbraw/zinc/99/70/52/524997052.db2.gz BEHFZVLUNAPCDQ-GFCCVEGCSA-N 0 3 286.372 2.018 10 0 CEAEHN Cc1cc(F)ccc1[C@@H](CN)N1CCOC(C)(C)C1 ZINC000050578632 525003577 /nfs/dbraw/zinc/00/35/77/525003577.db2.gz GHTHVYMLPYFKHV-CQSZACIVSA-N 0 3 266.360 2.245 10 0 CEAEHN Cc1cc(F)ccc1[C@@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000050578096 525003902 /nfs/dbraw/zinc/00/39/02/525003902.db2.gz BAQJVUNCTGXJLF-TYNCELHUSA-N 0 3 266.360 2.243 10 0 CEAEHN C[C@@H]1CN(c2nc3c(cc2CN)CCC3)CC(C)(C)O1 ZINC000045661270 525073549 /nfs/dbraw/zinc/07/35/49/525073549.db2.gz NKISZCFWZOZLEZ-LLVKDONJSA-N 0 3 275.396 2.033 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc2ccccc2o1 ZINC000069132592 525097695 /nfs/dbraw/zinc/09/76/95/525097695.db2.gz SWTFXZUGYMPAMP-GHMZBOCLSA-N 0 3 258.321 2.255 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccc(Cl)s1 ZINC000068913233 525101196 /nfs/dbraw/zinc/10/11/96/525101196.db2.gz YLIRTBIMRGWQSD-OCAPTIKFSA-N 0 3 258.774 2.224 10 0 CEAEHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1c(F)cccc1Cl ZINC000062665706 525104758 /nfs/dbraw/zinc/10/47/58/525104758.db2.gz NDOYRQPLCYHOJH-DTWKUNHWSA-N 0 3 270.735 2.302 10 0 CEAEHN Cc1ccccc1CN(C)C(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000183191737 525120658 /nfs/dbraw/zinc/12/06/58/525120658.db2.gz ANVVPXAMJNEQRX-GOEBONIOSA-N 0 3 290.407 2.111 10 0 CEAEHN C[C@H](NC(=O)[C@@H](CN)c1ccccc1)c1ccncc1 ZINC000061611307 525129759 /nfs/dbraw/zinc/12/97/59/525129759.db2.gz RMKYDVWCQUDBST-WFASDCNBSA-N 0 3 269.348 2.001 10 0 CEAEHN COc1ccc([C@H](N)c2ccc3c(c2)CC(=O)N3)cc1F ZINC000061668811 525363655 /nfs/dbraw/zinc/36/36/55/525363655.db2.gz JZBRVTVMIMPTPS-MRXNPFEDSA-N 0 3 286.306 2.377 10 0 CEAEHN Cc1nc[nH]c1CN[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000054796372 525462857 /nfs/dbraw/zinc/46/28/57/525462857.db2.gz LSQDILGCOLQYAC-VIFPVBQESA-N 0 3 273.340 2.060 10 0 CEAEHN C[C@@H](N[C@@H](C)CN1CCCCC1)C(=O)Nc1ccccc1 ZINC000049501964 525600383 /nfs/dbraw/zinc/60/03/83/525600383.db2.gz ABRHQRRHLZTMNQ-LSDHHAIUSA-N 0 3 289.423 2.478 10 0 CEAEHN C[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](CN)c1ccccc1 ZINC000061613311 525635039 /nfs/dbraw/zinc/63/50/39/525635039.db2.gz CHEJVIDTFMVNPU-GUTXKFCHSA-N 0 3 260.381 2.376 10 0 CEAEHN C[C@@](N)(C(=O)Nc1nc(C2CC2)cs1)C1CC1 ZINC000049237158 525748397 /nfs/dbraw/zinc/74/83/97/525748397.db2.gz JAGZHSDDFYLUGT-LBPRGKRZSA-N 0 3 251.355 2.086 10 0 CEAEHN Cc1ccc(=O)n(C[C@@H](N)c2cccc(C(F)(F)F)c2)n1 ZINC000061810427 525975631 /nfs/dbraw/zinc/97/56/31/525975631.db2.gz UWGVDYXGXHNESC-GFCCVEGCSA-N 0 3 297.280 2.271 10 0 CEAEHN Cc1nn(Cc2cccnc2CN)c(C)c1Cl ZINC000061657126 526298984 /nfs/dbraw/zinc/29/89/84/526298984.db2.gz VJUPIZPJCIACBX-UHFFFAOYSA-N 0 3 250.733 2.055 10 0 CEAEHN Cc1nnc(COc2cc(F)ccc2[C@@H](C)N)o1 ZINC000062745354 526346421 /nfs/dbraw/zinc/34/64/21/526346421.db2.gz GFNLDFZBNBSPGI-SSDOTTSWSA-N 0 3 251.261 2.116 10 0 CEAEHN O=C(NCCOc1ccccc1)c1ccc2c(c1)CNC2 ZINC000156743256 526364457 /nfs/dbraw/zinc/36/44/57/526364457.db2.gz SZUYGPNNIWJOIM-UHFFFAOYSA-N 0 3 282.343 2.099 10 0 CEAEHN Cc1csc(Cc2ncc3c(n2)CCC[C@H]3N)n1 ZINC000055269736 526369768 /nfs/dbraw/zinc/36/97/68/526369768.db2.gz SJNITPFRVWIDPU-SNVBAGLBSA-N 0 3 260.366 2.168 10 0 CEAEHN Cc1oc(CN2CCSCC2)cc1CNC1CC1 ZINC000052425542 526771591 /nfs/dbraw/zinc/77/15/91/526771591.db2.gz OOIOSOMAGCBGOL-UHFFFAOYSA-N 0 3 266.410 2.389 10 0 CEAEHN NC(=O)[C@](N)(CSc1cccc(Cl)c1)C1CC1 ZINC000069189533 527016727 /nfs/dbraw/zinc/01/67/27/527016727.db2.gz IYPPSGLUHHQMFU-LBPRGKRZSA-N 0 3 270.785 2.025 10 0 CEAEHN NC(=S)c1cc(Cl)ccc1N[C@@H]1CN2CCC1CC2 ZINC000052857725 527114936 /nfs/dbraw/zinc/11/49/36/527114936.db2.gz DACWGLYKVNLDMA-CYBMUJFWSA-N 0 3 295.839 2.480 10 0 CEAEHN O=C1c2ccccc2C(=O)N1c1ccc2c(c1)CNCC2 ZINC000069052862 527131269 /nfs/dbraw/zinc/13/12/69/527131269.db2.gz IWNJRJFUUHKUBT-UHFFFAOYSA-N 0 3 278.311 2.133 10 0 CEAEHN NC[C@@H](c1ccccc1F)N(CCO)Cc1ccccc1 ZINC000050514076 527208239 /nfs/dbraw/zinc/20/82/39/527208239.db2.gz ZVSSCDNKSYCFTF-KRWDZBQOSA-N 0 3 288.366 2.320 10 0 CEAEHN O=C(Cc1ccc(Cl)cc1)[N-]OCC[NH+]1CCCC1 ZINC000062578307 527222470 /nfs/dbraw/zinc/22/24/70/527222470.db2.gz OYMVKYLLINEIAQ-UHFFFAOYSA-N 0 3 282.771 2.026 10 0 CEAEHN NC[C@H](C(=O)NCc1ccccc1F)c1ccccc1 ZINC000061610868 527223314 /nfs/dbraw/zinc/22/33/14/527223314.db2.gz WDBANLGKYILNQK-AWEZNQCLSA-N 0 3 272.323 2.184 10 0 CEAEHN NC[C@H](C(=O)NCc1ccc(F)cc1F)c1ccccc1 ZINC000061613331 527223666 /nfs/dbraw/zinc/22/36/66/527223666.db2.gz HTDWHQLUNHKUEB-AWEZNQCLSA-N 0 3 290.313 2.324 10 0 CEAEHN NCc1cc(CN2CCC[C@H]2c2ccncc2)ccn1 ZINC000068749658 527247291 /nfs/dbraw/zinc/24/72/91/527247291.db2.gz FAYNUOIUEWSSFA-INIZCTEOSA-N 0 3 268.364 2.272 10 0 CEAEHN NCc1ccc(Cl)cc1N1CCCC[C@@H]1CO ZINC000062786879 527253595 /nfs/dbraw/zinc/25/35/95/527253595.db2.gz GLHFVDUMRZXGAC-GFCCVEGCSA-N 0 3 254.761 2.150 10 0 CEAEHN NCc1coc(CN2CCN(c3ccccc3)CC2)c1 ZINC000052417326 527263484 /nfs/dbraw/zinc/26/34/84/527263484.db2.gz KPLXIANGBOSDHY-UHFFFAOYSA-N 0 3 271.364 2.061 10 0 CEAEHN NCc1oc2ccccc2c1CN1CCN(C2CC2)CC1 ZINC000052371312 527267746 /nfs/dbraw/zinc/26/77/46/527267746.db2.gz LGHWZYGVWNSDLG-UHFFFAOYSA-N 0 3 285.391 2.172 10 0 CEAEHN NNc1cc(C(=O)Nc2ccc(Cl)c(F)c2)ccn1 ZINC000051120283 527272265 /nfs/dbraw/zinc/27/22/65/527272265.db2.gz ILUPTXCFSUDJFT-UHFFFAOYSA-N 0 3 280.690 2.412 10 0 CEAEHN NN=c1cc(C(=O)Nc2ccc(Cl)c(F)c2)cc[nH]1 ZINC000051120283 527272273 /nfs/dbraw/zinc/27/22/73/527272273.db2.gz ILUPTXCFSUDJFT-UHFFFAOYSA-N 0 3 280.690 2.412 10 0 CEAEHN O=C(Nc1ccc2c(c1)CNCC2)[C@H](O)c1ccccc1 ZINC000069052619 527278923 /nfs/dbraw/zinc/27/89/23/527278923.db2.gz OJSGNCXQHTWIRG-MRXNPFEDSA-N 0 3 282.343 2.004 10 0 CEAEHN N[C@@H](c1cc(Cl)ccc1Cl)[C@H]1COCCO1 ZINC000055299137 527338096 /nfs/dbraw/zinc/33/80/96/527338096.db2.gz RCNUUOVCVIFMTP-MNOVXSKESA-N 0 3 262.136 2.409 10 0 CEAEHN CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(CC)C2)CCS1 ZINC000174235052 529369514 /nfs/dbraw/zinc/36/95/14/529369514.db2.gz WNFKXSGIGMBLKH-CHWSQXEVSA-N 0 3 285.457 2.008 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc([C@H](C)O)c(O)c2)CC1 ZINC000093672549 535566391 /nfs/dbraw/zinc/56/63/91/535566391.db2.gz GKSYMZHEADGRLG-OLZOCXBDSA-N 0 3 278.396 2.366 10 0 CEAEHN CN[C@@H]1CCCN(c2c(C)cccc2Cl)C1=O ZINC000090535798 536365466 /nfs/dbraw/zinc/36/54/66/536365466.db2.gz ICEYUOAQPLWWQK-LLVKDONJSA-N 0 3 252.745 2.363 10 0 CEAEHN FC(F)(F)[C@H]1CCC[C@@]2(C1)NCC1(COC1)CO2 ZINC000757145900 574510403 /nfs/dbraw/zinc/51/04/03/574510403.db2.gz QSFQFOKJMIQIKN-GXSJLCMTSA-N 0 3 265.275 2.072 10 0 CEAEHN CCCc1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000127741866 623912656 /nfs/dbraw/zinc/91/26/56/623912656.db2.gz ARXIPRXGZLLLKS-UHFFFAOYSA-N 0 3 262.353 2.086 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000177757302 625873093 /nfs/dbraw/zinc/87/30/93/625873093.db2.gz BZVHCZAIKPWAKG-CJNGLKHVSA-N 0 3 296.361 2.168 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000249074746 628718987 /nfs/dbraw/zinc/71/89/87/628718987.db2.gz LYXDTBHIYXFNFH-UBHSHLNASA-N 0 3 286.331 2.149 10 0 CEAEHN CCc1ccc([C@@H](C)NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000236954677 629131388 /nfs/dbraw/zinc/13/13/88/629131388.db2.gz UFKWZWPBVFILQA-CZUORRHYSA-N 0 3 290.407 2.195 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000237010664 629150508 /nfs/dbraw/zinc/15/05/08/629150508.db2.gz JYKMFLUNGOCXIY-PRHODGIISA-N 0 3 278.381 2.450 10 0 CEAEHN CNC(=O)NC(=O)CN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154385156 640880464 /nfs/dbraw/zinc/88/04/64/640880464.db2.gz XQZKPPTXPPMGGD-LLVKDONJSA-N 0 3 291.395 2.090 10 0 CEAEHN COC(=O)C[C@H](N)c1cscc1Br ZINC000238364865 641474782 /nfs/dbraw/zinc/47/47/82/641474782.db2.gz UFRZFPXWEBPZFU-ZETCQYMHSA-N 0 3 264.144 2.074 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(F)(F)c1ccccc1 ZINC000113231527 644299197 /nfs/dbraw/zinc/29/91/97/644299197.db2.gz DFPCKTYQBQTELF-TZMCWYRMSA-N 0 3 294.345 2.474 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccc(OC)nc2C)C1 ZINC000124406231 187135927 /nfs/dbraw/zinc/13/59/27/187135927.db2.gz MVSHJWPPHDLUKO-GFCCVEGCSA-N 0 3 292.383 2.004 10 0 CEAEHN CS(=O)(=O)c1ccc([C@H](N)CCC(F)(F)F)cc1 ZINC000095770891 185027743 /nfs/dbraw/zinc/02/77/43/185027743.db2.gz MVQHMMMCSDIJED-SNVBAGLBSA-N 0 3 281.299 2.432 10 0 CEAEHN COCCNCc1nc2ccc(Br)cc2[nH]1 ZINC000082583209 178120144 /nfs/dbraw/zinc/12/01/44/178120144.db2.gz QUINMXVSRHFDPW-UHFFFAOYSA-N 0 3 284.157 2.061 10 0 CEAEHN C[C@@H]1CC[C@H](C(=O)NCCCN(C)Cc2ccccc2)O1 ZINC000124641424 187147026 /nfs/dbraw/zinc/14/70/26/187147026.db2.gz DAQOGKMAZGBEKN-GDBMZVCRSA-N 0 3 290.407 2.192 10 0 CEAEHN NCc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000082661980 178150124 /nfs/dbraw/zinc/15/01/24/178150124.db2.gz OLODIAZDFSKQBR-UHFFFAOYSA-N 0 3 259.206 2.489 10 0 CEAEHN CN1c2ccc([C@@H](N)c3ccccc3F)cc2CC1=O ZINC000034940649 361798261 /nfs/dbraw/zinc/79/82/61/361798261.db2.gz IQKILVDTGPDPHL-MRXNPFEDSA-N 0 3 270.307 2.393 10 0 CEAEHN CCN1CCC[C@@H](NCc2ccn(-c3ccccc3)n2)C1 ZINC000124901488 187160136 /nfs/dbraw/zinc/16/01/36/187160136.db2.gz HOLJDDFXSTWZQL-MRXNPFEDSA-N 0 3 284.407 2.446 10 0 CEAEHN C[C@@H]1NCCO[C@@H]1c1cccc(Br)c1 ZINC000096884378 185120254 /nfs/dbraw/zinc/12/02/54/185120254.db2.gz BACMQQRWZKODEZ-KWQFWETISA-N 0 3 256.143 2.499 10 0 CEAEHN C[C@H]1CNC[C@@H](c2ccccc2Br)O1 ZINC000036673171 361850863 /nfs/dbraw/zinc/85/08/63/361850863.db2.gz CQFGVXSNTPGXLO-KWQFWETISA-N 0 3 256.143 2.499 10 0 CEAEHN FC(F)(F)[C@H]1CCN(Cc2ccccc2)CCN1 ZINC000096897571 185126228 /nfs/dbraw/zinc/12/62/28/185126228.db2.gz LRQZRBYSHHJXHA-GFCCVEGCSA-N 0 3 258.287 2.413 10 0 CEAEHN C[C@@H](N)C(=O)Nc1ccc(Br)cc1Cl ZINC000036963724 361874355 /nfs/dbraw/zinc/87/43/55/361874355.db2.gz FNBBJKGWAPKFNZ-RXMQYKEDSA-N 0 3 277.549 2.388 10 0 CEAEHN NC1(C(=O)N[C@@H]2CCCc3ccccc32)CCCC1 ZINC000037616207 361911832 /nfs/dbraw/zinc/91/18/32/361911832.db2.gz RIDSNPOSMHOHDM-CQSZACIVSA-N 0 3 258.365 2.452 10 0 CEAEHN CC(C)(C)OC(=O)N1Cc2cscc2[C@@H](N)C1 ZINC000096958632 185142716 /nfs/dbraw/zinc/14/27/16/185142716.db2.gz RAXAKPKQGDSFOB-JTQLQIEISA-N 0 3 254.355 2.499 10 0 CEAEHN CN(C)[C@H]1CCN(c2ncc(Br)cc2F)C1 ZINC000229537364 539166999 /nfs/dbraw/zinc/16/69/99/539166999.db2.gz QSILTLJPTKBMEX-VIFPVBQESA-N 0 3 288.164 2.124 10 0 CEAEHN N[C@H]1C[C@]12CNc1c2cc(Br)cc1Cl ZINC000725247494 539192727 /nfs/dbraw/zinc/19/27/27/539192727.db2.gz OJVUEEFXZFAXMS-WCBMZHEXSA-N 0 3 273.561 2.497 10 0 CEAEHN COc1cccc(CN2CC[C@H](CCO)C2)c1F ZINC000124330492 539188479 /nfs/dbraw/zinc/18/84/79/539188479.db2.gz CFQVRAJGURGRTN-LLVKDONJSA-N 0 3 253.317 2.039 10 0 CEAEHN CC[C@H]1CN2CCCC[C@H]2CN1CCOCC1CC1 ZINC000300404433 539249954 /nfs/dbraw/zinc/24/99/54/539249954.db2.gz XLMHFORZPCKFBB-HOTGVXAUSA-N 0 3 266.429 2.362 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1Cc1cc(OC)ns1 ZINC000399013694 539263372 /nfs/dbraw/zinc/26/33/72/539263372.db2.gz BFCFSXZUSITCOW-NEPJUHHUSA-N 0 3 281.425 2.210 10 0 CEAEHN Cc1cnn(CCN[C@@H]2CCCc3cccnc32)c1 ZINC000236009673 539300870 /nfs/dbraw/zinc/30/08/70/539300870.db2.gz PKNLFEVXZYMJMW-CQSZACIVSA-N 0 3 256.353 2.254 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000082285872 282261146 /nfs/dbraw/zinc/26/11/46/282261146.db2.gz HGCFBRWBSGDFQI-AWEZNQCLSA-N 0 3 260.381 2.127 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000037164971 343426076 /nfs/dbraw/zinc/42/60/76/343426076.db2.gz WWYBZWQPFFHQAC-HOCLYGCPSA-N 0 3 271.364 2.265 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000037803943 343431507 /nfs/dbraw/zinc/43/15/07/343431507.db2.gz CMKLLOJFTNFESF-BDJLRTHQSA-N 0 3 285.391 2.426 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000127345780 365743509 /nfs/dbraw/zinc/74/35/09/365743509.db2.gz KRXUXKVYPBYYGR-RISCZKNCSA-N 0 3 264.413 2.268 10 0 CEAEHN NCc1cnnn1-c1ccc(OCc2ccccc2)cc1 ZINC000062261525 343670711 /nfs/dbraw/zinc/67/07/11/343670711.db2.gz IQYLTRCGOQDSIM-UHFFFAOYSA-N 0 3 280.331 2.305 10 0 CEAEHN CCCn1ccc(CN[C@H](C)CC[S@@](C)=O)c1 ZINC000128026792 187346807 /nfs/dbraw/zinc/34/68/07/187346807.db2.gz LMMHDESHDYZSNF-PXAZEXFGSA-N 0 3 256.415 2.145 10 0 CEAEHN Cc1cc(C)cc(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000128113143 187351593 /nfs/dbraw/zinc/35/15/93/187351593.db2.gz FIVDEBVLPFMJRZ-MRXNPFEDSA-N 0 3 262.397 2.066 10 0 CEAEHN CCOC(=O)[C@H](C)C[C@@H](N)c1c(OC)cccc1OC ZINC000167821521 344479157 /nfs/dbraw/zinc/47/91/57/344479157.db2.gz DDXVDPMWBLARCZ-GHMZBOCLSA-N 0 3 281.352 2.293 10 0 CEAEHN Cc1cc(Cl)ccc1OCC(=O)N1CC[C@H](N(C)C)C1 ZINC000170863478 344491930 /nfs/dbraw/zinc/49/19/30/344491930.db2.gz FNTAQCDWQMEHRT-ZDUSSCGKSA-N 0 3 296.798 2.190 10 0 CEAEHN Cc1ccc(NC(=O)N2CC[C@H](N(C)C)C2)c(F)c1 ZINC000171070270 344495303 /nfs/dbraw/zinc/49/53/03/344495303.db2.gz HQZOQOZIGHJVGX-NSHDSACASA-N 0 3 265.332 2.302 10 0 CEAEHN C[C@H](N)c1cc2cccc(Cl)c2nc1SCC(N)=O ZINC000230450251 344572746 /nfs/dbraw/zinc/57/27/46/344572746.db2.gz JAZAZBUNLKVFQE-ZETCQYMHSA-N 0 3 295.795 2.485 10 0 CEAEHN C[C@@H](N[C@@H]1CCCNC1=O)c1ccc2c(c1)CCC2 ZINC000050394783 362418444 /nfs/dbraw/zinc/41/84/44/362418444.db2.gz KNANDIWNJCPKST-IAQYHMDHSA-N 0 3 258.365 2.105 10 0 CEAEHN COC(=O)c1oc(CN2CCC[C@@H]2CCCO)cc1C ZINC000052762211 362473348 /nfs/dbraw/zinc/47/33/48/362473348.db2.gz AAGUWIZZMPOESQ-GFCCVEGCSA-N 0 3 281.352 2.112 10 0 CEAEHN C[C@@H](CCN1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000248884390 344626350 /nfs/dbraw/zinc/62/63/50/344626350.db2.gz LQCHMSWTBXLYIM-UONOGXRCSA-N 0 3 260.381 2.391 10 0 CEAEHN C[C@H]([C@@H](N)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000307144014 344720372 /nfs/dbraw/zinc/72/03/72/344720372.db2.gz LKTXRDJQQSLQOD-IAQYHMDHSA-N 0 3 280.327 2.371 10 0 CEAEHN C[C@H]1CS[C@]2(CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000306594049 344715314 /nfs/dbraw/zinc/71/53/14/344715314.db2.gz XHRUYGWQJFUQCZ-CABZTGNLSA-N 0 3 258.387 2.048 10 0 CEAEHN C[C@@H]1CS[C@@]2(CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000306594048 344715341 /nfs/dbraw/zinc/71/53/41/344715341.db2.gz XHRUYGWQJFUQCZ-BXKDBHETSA-N 0 3 258.387 2.048 10 0 CEAEHN CCCOc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000392927751 344839705 /nfs/dbraw/zinc/83/97/05/344839705.db2.gz CXZRRRPIDTYNEX-DOMZBBRYSA-N 0 3 276.380 2.232 10 0 CEAEHN CCOC(=O)CN(Cc1ccccc1)C[C@H]1CCCN1C ZINC000387384075 344832960 /nfs/dbraw/zinc/83/29/60/344832960.db2.gz JMKIIRHIAXPQIP-MRXNPFEDSA-N 0 3 290.407 2.146 10 0 CEAEHN Fc1ccc(CN2CC[C@@H]3OCCN[C@H]3C2)c(Cl)c1 ZINC000404288513 344879002 /nfs/dbraw/zinc/87/90/02/344879002.db2.gz ZBRXOPMTBANROM-KBPBESRZSA-N 0 3 284.762 2.042 10 0 CEAEHN Fc1ccc(CN2CC[C@H]3OCCN[C@@H]3C2)c(Cl)c1 ZINC000404288778 344879170 /nfs/dbraw/zinc/87/91/70/344879170.db2.gz ZBRXOPMTBANROM-ZIAGYGMSSA-N 0 3 284.762 2.042 10 0 CEAEHN CN[C@H](COC)c1cc(Br)cs1 ZINC000084100668 178789716 /nfs/dbraw/zinc/78/97/16/178789716.db2.gz HMWAILIXFVLAAA-SSDOTTSWSA-N 0 3 250.161 2.418 10 0 CEAEHN CCOc1ccc([C@H](O)[C@H](C)N2CCCN(C)CC2)cc1 ZINC000584617101 344965896 /nfs/dbraw/zinc/96/58/96/344965896.db2.gz IAUOVIZMDZJGOS-WMLDXEAASA-N 0 3 292.423 2.145 10 0 CEAEHN CN1CCC2(CC1)OC(=O)c1ccc(Cl)cc12 ZINC000584651525 344973450 /nfs/dbraw/zinc/97/34/50/344973450.db2.gz JGCJYJWAJJXPPT-UHFFFAOYSA-N 0 3 251.713 2.431 10 0 CEAEHN CCc1cc2c(ncnc2N2CCNC[C@H]2C)s1 ZINC000054375264 362533941 /nfs/dbraw/zinc/53/39/41/362533941.db2.gz QDYCKSSQQIDOTB-SECBINFHSA-N 0 3 262.382 2.052 10 0 CEAEHN Cc1ccccc1CN(CCN(C)C)Cc1ncc[nH]1 ZINC000055108051 362544307 /nfs/dbraw/zinc/54/43/07/362544307.db2.gz OLDCWTQYRLGWFL-UHFFFAOYSA-N 0 3 272.396 2.282 10 0 CEAEHN CCCCN(CC)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000057870112 362597498 /nfs/dbraw/zinc/59/74/98/362597498.db2.gz WOIKBPGWWRKRBO-CYBMUJFWSA-N 0 3 255.406 2.302 10 0 CEAEHN CCc1cc(C[C@@H](N)c2cncc(F)c2)n(CC)n1 ZINC000097280017 185578019 /nfs/dbraw/zinc/57/80/19/185578019.db2.gz UUFLGDZNVCIYRB-CQSZACIVSA-N 0 3 262.332 2.242 10 0 CEAEHN CN[C@@H](c1cccc2c1OCCO2)C1=COCCC1 ZINC000097389359 185595864 /nfs/dbraw/zinc/59/58/64/185595864.db2.gz AZLATRCNNFONLX-CQSZACIVSA-N 0 3 261.321 2.413 10 0 CEAEHN CN(C)C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1 ZINC000176584833 232331535 /nfs/dbraw/zinc/33/15/35/232331535.db2.gz LSIZZGHOSIJEFI-PMPSAXMXSA-N 0 3 272.392 2.452 10 0 CEAEHN Cc1csc(C[C@H](NN)C2(N3CCCC3)CCCC2)n1 ZINC000097588357 185633783 /nfs/dbraw/zinc/63/37/83/185633783.db2.gz CDYRVRSGFBTUMR-ZDUSSCGKSA-N 0 3 294.468 2.235 10 0 CEAEHN CCCCOC[C@](CO)(NCC)c1ccccc1 ZINC000085286615 179003801 /nfs/dbraw/zinc/00/38/01/179003801.db2.gz OPRYQBIOVXZUAO-HNNXBMFYSA-N 0 3 251.370 2.300 10 0 CEAEHN CCCCOC[C@@](CO)(NCC)c1ccccc1 ZINC000085286619 179004209 /nfs/dbraw/zinc/00/42/09/179004209.db2.gz OPRYQBIOVXZUAO-OAHLLOKOSA-N 0 3 251.370 2.300 10 0 CEAEHN CCCN[C@@](CO)(CSCCOC)c1ccccc1 ZINC000085298005 179009005 /nfs/dbraw/zinc/00/90/05/179009005.db2.gz KSDYZZOJYYETRT-HNNXBMFYSA-N 0 3 283.437 2.253 10 0 CEAEHN CN[C@](C)(CO)CSc1nc2ccccc2s1 ZINC000085298787 179009502 /nfs/dbraw/zinc/00/95/02/179009502.db2.gz GMPOZTJGFFNRGU-GFCCVEGCSA-N 0 3 268.407 2.359 10 0 CEAEHN COC(OC)[C@H](C)N[C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000085402130 179052185 /nfs/dbraw/zinc/05/21/85/179052185.db2.gz GMAVPZODYWMRAN-YNEHKIRRSA-N 0 3 273.417 2.423 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2nc(Cl)ccc2Cl)C1 ZINC000062969313 362737326 /nfs/dbraw/zinc/73/73/26/362737326.db2.gz QDEXQXCQGLMHJV-MRVPVSSYSA-N 0 3 288.178 2.165 10 0 CEAEHN COCCOCCN1C[C@@H](c2ccccc2)NCC1(C)C ZINC000085507613 179085422 /nfs/dbraw/zinc/08/54/22/179085422.db2.gz RTEWLGKOHXATSQ-INIZCTEOSA-N 0 3 292.423 2.075 10 0 CEAEHN C[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2[C@H]1O ZINC000085564529 179094379 /nfs/dbraw/zinc/09/43/79/179094379.db2.gz JUXRVSRUBIFVKE-BBDZHYCFSA-N 0 3 256.349 2.119 10 0 endogenous,in-man CEAEHN COC(=O)C[C@H](N)c1ccc(Br)c(C)c1 ZINC000085707484 179122584 /nfs/dbraw/zinc/12/25/84/179122584.db2.gz NXMDZSYFCJWGLB-JTQLQIEISA-N 0 3 272.142 2.320 10 0 CEAEHN CCCn1cc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cn1 ZINC000129357326 365850926 /nfs/dbraw/zinc/85/09/26/365850926.db2.gz ZXWAHYKKLNFTMY-HZPDHXFCSA-N 0 3 277.412 2.420 10 0 CEAEHN O=C(CNC[C@H]1CCCC[C@H]1O)Nc1cccc(Cl)c1 ZINC000085985787 179211279 /nfs/dbraw/zinc/21/12/79/179211279.db2.gz HVMICDOZFNZCSY-BXUZGUMPSA-N 0 3 296.798 2.419 10 0 CEAEHN O=C(CNC[C@@H]1CCCC[C@@H]1O)Nc1cccc(Cl)c1 ZINC000085985784 179211360 /nfs/dbraw/zinc/21/13/60/179211360.db2.gz HVMICDOZFNZCSY-FZMZJTMJSA-N 0 3 296.798 2.419 10 0 CEAEHN Cc1ccccc1NC(=O)CNC[C@H]1CCCC[C@H]1O ZINC000085985807 179211552 /nfs/dbraw/zinc/21/15/52/179211552.db2.gz OGLNYZGOYOEVNT-UKRRQHHQSA-N 0 3 276.380 2.074 10 0 CEAEHN C[C@@H]1CC[C@@H](NC(=O)[C@@H](CN)c2ccccc2)[C@@H]1C ZINC000086073942 179224906 /nfs/dbraw/zinc/22/49/06/179224906.db2.gz VHEUFQAMLORGDK-RJZRQDKASA-N 0 3 260.381 2.280 10 0 CEAEHN CCN[C@H](c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086021237 179218414 /nfs/dbraw/zinc/21/84/14/179218414.db2.gz FNTQKKQOKGQCGX-KWQFWETISA-N 0 3 293.841 2.487 10 0 CEAEHN CCc1ccc(CC)c([C@@H](N)[C@H]2CCS(=O)(=O)C2)c1 ZINC000086022901 179218605 /nfs/dbraw/zinc/21/86/05/179218605.db2.gz AKHPKCVPLBNPMQ-ZFWWWQNUSA-N 0 3 281.421 2.246 10 0 CEAEHN CCCN[C@@H](c1ccc(CC)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000086022613 179219065 /nfs/dbraw/zinc/21/90/65/179219065.db2.gz AFJGMWOCXATFKL-BXUZGUMPSA-N 0 3 285.409 2.317 10 0 CEAEHN CC[C@H]1CC[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H]1C ZINC000086093984 179229000 /nfs/dbraw/zinc/22/90/00/179229000.db2.gz HGZGCNLDWDFNNR-NOOOWODRSA-N 0 3 258.431 2.008 10 0 CEAEHN NC[C@H](NC[C@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333406 179273157 /nfs/dbraw/zinc/27/31/57/179273157.db2.gz UZFXKVKLAPBXAK-ZJUUUORDSA-N 0 3 260.790 2.170 10 0 CEAEHN CCN[C@H]1CCCc2sc(N3CCN(CC)CC3)nc21 ZINC000086442002 179293938 /nfs/dbraw/zinc/29/39/38/179293938.db2.gz CRPLFOVXTIUMBK-LBPRGKRZSA-N 0 3 294.468 2.272 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1c1nc2c(s1)CCC[C@@H]2N ZINC000086443785 179294134 /nfs/dbraw/zinc/29/41/34/179294134.db2.gz ZTQCGRMIBXMIIA-MXWKQRLJSA-N 0 3 281.425 2.483 10 0 CEAEHN CN(c1nc2c(s1)CCC[C@@H]2O)C1CCN(C)CC1 ZINC000086444367 179294548 /nfs/dbraw/zinc/29/45/48/179294548.db2.gz SBTGBHXZAFKBID-NSHDSACASA-N 0 3 281.425 2.043 10 0 CEAEHN CC[C@@H]1CN(C(=O)COc2ccccc2)[C@H](CC)CN1 ZINC000086446560 179294998 /nfs/dbraw/zinc/29/49/98/179294998.db2.gz YEAMTKHWNIXAFL-ZIAGYGMSSA-N 0 3 276.380 2.054 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)[C@@H](CC)CN1 ZINC000086447891 179295894 /nfs/dbraw/zinc/29/58/94/179295894.db2.gz OFBXXLSWMAUKSU-CABCVRRESA-N 0 3 289.423 2.355 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)Cc1ccccc1F ZINC000086447317 179295950 /nfs/dbraw/zinc/29/59/50/179295950.db2.gz ZZASFTGTWDLAEK-UONOGXRCSA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)[C@H](CC)CN1 ZINC000086447168 179295977 /nfs/dbraw/zinc/29/59/77/179295977.db2.gz FDHLFTSWXMNNKQ-GHMZBOCLSA-N 0 3 269.776 2.271 10 0 CEAEHN CCCc1cc(NN)nc([C@H]2Cc3ccccc32)n1 ZINC000086490639 179302376 /nfs/dbraw/zinc/30/23/76/179302376.db2.gz LNYNSGUUZULZSJ-ZDUSSCGKSA-N 0 3 254.337 2.403 10 0 CEAEHN CCCn1cc(Cl)cc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000086467724 179298231 /nfs/dbraw/zinc/29/82/31/179298231.db2.gz VWSKIZRLTYMNTR-WDEREUQCSA-N 0 3 283.803 2.374 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000086467837 179298308 /nfs/dbraw/zinc/29/83/08/179298308.db2.gz CUNOGNKCFYXCQY-UWVGGRQHSA-N 0 3 282.771 2.171 10 0 CEAEHN C[C@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](C)CN1 ZINC000086468372 179300012 /nfs/dbraw/zinc/30/00/12/179300012.db2.gz MYMQQYLAMOWXRI-HOGDBLQHSA-N 0 3 291.439 2.347 10 0 CEAEHN Cc1cnc([C@@H](C)NC(=O)C[C@H](N)c2ccccc2)o1 ZINC000231743556 539580845 /nfs/dbraw/zinc/58/08/45/539580845.db2.gz XZTAXDAJGYMSGB-YPMHNXCESA-N 0 3 273.336 2.250 10 0 CEAEHN CC[C@@H]1CN([C@@H](CN)c2ccc(OC)c(Cl)c2)CCO1 ZINC000086586492 179310119 /nfs/dbraw/zinc/31/01/19/179310119.db2.gz HJTSRRSTMZOWHI-OCCSQVGLSA-N 0 3 298.814 2.459 10 0 CEAEHN CS(=O)(=O)[C@@H]1CCC[C@@H]1NCCCc1ccccc1 ZINC000086671053 179317773 /nfs/dbraw/zinc/31/77/73/179317773.db2.gz ZHHZOEDFBNLKQG-LSDHHAIUSA-N 0 3 281.421 2.175 10 0 CEAEHN Cc1ccccc1CN[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086674776 179318823 /nfs/dbraw/zinc/31/88/23/179318823.db2.gz RSESOHLLAIQQFG-KBPBESRZSA-N 0 3 267.394 2.050 10 0 CEAEHN CCOC(=O)[C@@]1(NCCN(CC)CC)CCC[C@H]1C ZINC000086678043 179319496 /nfs/dbraw/zinc/31/94/96/179319496.db2.gz DGJQSCGMKCCJCR-UKRRQHHQSA-N 0 3 270.417 2.040 10 0 CEAEHN CN[C@H](C)C(=O)Nc1cccc(Br)c1C ZINC000232211103 539596286 /nfs/dbraw/zinc/59/62/86/539596286.db2.gz RDQNOLIQNLMUCV-MRVPVSSYSA-N 0 3 271.158 2.304 10 0 CEAEHN CCC(N)(CC)C(=O)Nc1ncccc1Br ZINC000086814126 179342579 /nfs/dbraw/zinc/34/25/79/179342579.db2.gz IGAJAPZPMGUKSP-UHFFFAOYSA-N 0 3 286.173 2.300 10 0 CEAEHN CCCN1CCC[C@H]([NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000086868578 179360201 /nfs/dbraw/zinc/36/02/01/179360201.db2.gz YQMAZLFDLGSGKX-AWEZNQCLSA-N 0 3 268.401 2.048 10 0 CEAEHN CCC[N@@H+]1CCC[C@H](N2CCC(C(=O)[O-])CC2)CC1 ZINC000086868578 179360203 /nfs/dbraw/zinc/36/02/03/179360203.db2.gz YQMAZLFDLGSGKX-AWEZNQCLSA-N 0 3 268.401 2.048 10 0 CEAEHN CCC[N@H+]1CCC[C@H](N2CCC(C(=O)[O-])CC2)CC1 ZINC000086868578 179360206 /nfs/dbraw/zinc/36/02/06/179360206.db2.gz YQMAZLFDLGSGKX-AWEZNQCLSA-N 0 3 268.401 2.048 10 0 CEAEHN CCN1CCC[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)CC1 ZINC000086868701 179361694 /nfs/dbraw/zinc/36/16/94/179361694.db2.gz LSNMBZULYDDLLA-ROKHWSDSSA-N 0 3 268.401 2.094 10 0 CEAEHN CCCN1CCC[C@@](NC(C)C)(C(=O)OCC)CC1 ZINC000086849783 179358251 /nfs/dbraw/zinc/35/82/51/179358251.db2.gz INNNYIIHFGEHFN-HNNXBMFYSA-N 0 3 270.417 2.182 10 0 CEAEHN CCN1CCC[C@](N)(c2nc3c(s2)CCC3)CC1 ZINC000086851342 179359219 /nfs/dbraw/zinc/35/92/19/179359219.db2.gz SXTRCNNLKAZABK-CQSZACIVSA-N 0 3 265.426 2.292 10 0 CEAEHN CNCc1cc(C)nc([C@@H]2CSCCS2)n1 ZINC000086985373 179373629 /nfs/dbraw/zinc/37/36/29/179373629.db2.gz FUJJCGLENSNVHS-JTQLQIEISA-N 0 3 255.412 2.026 10 0 CEAEHN COCCCc1noc([C@@H]2C[C@@H]3CCCC[C@@H]3N2)n1 ZINC000086962958 179369539 /nfs/dbraw/zinc/36/95/39/179369539.db2.gz WYPAOXKEEGZCBY-SRVKXCTJSA-N 0 3 265.357 2.242 10 0 CEAEHN CCS(=O)(=O)CCCOc1cc(C)ccc1[C@@H](C)NC ZINC000086973109 179371353 /nfs/dbraw/zinc/37/13/53/179371353.db2.gz XJIOGVLNYIIRRZ-CYBMUJFWSA-N 0 3 299.436 2.479 10 0 CEAEHN CC(C)(O)CNCC(=O)Nc1c(Cl)cccc1Cl ZINC000087018194 179380526 /nfs/dbraw/zinc/38/05/26/179380526.db2.gz GAENKICJOBXKKM-UHFFFAOYSA-N 0 3 291.178 2.292 10 0 CEAEHN CCC(O)(CC)CN[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087028317 179381898 /nfs/dbraw/zinc/38/18/98/179381898.db2.gz FNHODEGHBWOJPC-CYBMUJFWSA-N 0 3 278.396 2.463 10 0 CEAEHN N[C@H]1CCCc2sc([C@@H]3CSCCO3)nc21 ZINC000086989894 179374868 /nfs/dbraw/zinc/37/48/68/179374868.db2.gz OAJPVJVZNQXKER-YUMQZZPRSA-N 0 3 256.396 2.284 10 0 CEAEHN c1[nH]c([C@@H]2CSCCS2)nc1CNC1CC1 ZINC000086985459 179374884 /nfs/dbraw/zinc/37/48/84/179374884.db2.gz CDHMVHAFTUKESF-JTQLQIEISA-N 0 3 255.412 2.183 10 0 CEAEHN c1nc([C@@H]2CSCCS2)[nH]c1CNC1CC1 ZINC000086985459 179374886 /nfs/dbraw/zinc/37/48/86/179374886.db2.gz CDHMVHAFTUKESF-JTQLQIEISA-N 0 3 255.412 2.183 10 0 CEAEHN COc1ccc([C@@H]2[C@@H](N)CCC(=O)N2C(C)C)cc1F ZINC000086995177 179375974 /nfs/dbraw/zinc/37/59/74/179375974.db2.gz MKJPMHPZEUPUMN-SWLSCSKDSA-N 0 3 280.343 2.234 10 0 CEAEHN CCC1CCC(O)(CN[C@H](C)c2cnccn2)CC1 ZINC000087053500 179389444 /nfs/dbraw/zinc/38/94/44/179389444.db2.gz JNGRSBSDYPYOTI-DNOWBOINSA-N 0 3 263.385 2.459 10 0 CEAEHN CCC1CCC(O)(CNCc2ccc(CO)o2)CC1 ZINC000087053247 179388829 /nfs/dbraw/zinc/38/88/29/179388829.db2.gz LURMTCTTXTUROD-UHFFFAOYSA-N 0 3 267.369 2.193 10 0 CEAEHN Cn1cc([C@@H](CN)OCc2ccc(Cl)cc2)cn1 ZINC000087092859 179394320 /nfs/dbraw/zinc/39/43/20/179394320.db2.gz JWEUKTLCLNAXGP-CYBMUJFWSA-N 0 3 265.744 2.290 10 0 CEAEHN CCSCc1nc(C)c(CNCCOC)c(C)n1 ZINC000087106540 179394723 /nfs/dbraw/zinc/39/47/23/179394723.db2.gz MMEYRWBRXBBYSB-UHFFFAOYSA-N 0 3 269.414 2.083 10 0 CEAEHN Cc1cccc(NC(=O)CNC[C@@]2(O)CCC[C@H](C)C2)c1 ZINC000087065328 179389872 /nfs/dbraw/zinc/38/98/72/179389872.db2.gz UIWDMFCSQPULGZ-WMLDXEAASA-N 0 3 290.407 2.464 10 0 CEAEHN Cc1nc(C)c(CN2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000670991202 539614436 /nfs/dbraw/zinc/61/44/36/539614436.db2.gz GYHMLUBKOZYNIB-DZGCQCFKSA-N 0 3 264.369 2.418 10 0 CEAEHN CC[C@H]1CNC[C@@H](c2ccc(OC)cc2OC)O1 ZINC000087090343 179394140 /nfs/dbraw/zinc/39/41/40/179394140.db2.gz HPADKTXUECYTIM-HZMBPMFUSA-N 0 3 251.326 2.143 10 0 CEAEHN NC1=NCCN1c1ccc(Cl)c(Br)c1 ZINC000087153605 179398290 /nfs/dbraw/zinc/39/82/90/179398290.db2.gz RBOZOEPTINRIAI-UHFFFAOYSA-N 0 3 274.549 2.237 10 0 CEAEHN COc1ccc(Cl)cc1C[C@]1(O)CCN(C2CC2)C1 ZINC000087166317 179398662 /nfs/dbraw/zinc/39/86/62/179398662.db2.gz YBNVGUFRDFMFPY-OAHLLOKOSA-N 0 3 281.783 2.490 10 0 CEAEHN OCCc1ccc([C@H]2CNCCN2Cc2ccccc2)cc1 ZINC000616635438 348541803 /nfs/dbraw/zinc/54/18/03/348541803.db2.gz CNOBROAHHXJIRN-LJQANCHMSA-N 0 3 296.414 2.368 10 0 CEAEHN CCN1CCOCC[C@H]1c1cccc(NC(C)=O)c1 ZINC000616598237 348529267 /nfs/dbraw/zinc/52/92/67/348529267.db2.gz NPMDIWPUFRAQMN-HNNXBMFYSA-N 0 3 262.353 2.428 10 0 CEAEHN CCN1CCCOC[C@@H]1c1ccc2ccnnc2c1 ZINC000616599987 348530399 /nfs/dbraw/zinc/53/03/99/348530399.db2.gz VHOBACPFXAKNIP-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN CCN1CCO[C@@H](CCNC(=O)OC(C)(C)C)CC1 ZINC000616666398 348555462 /nfs/dbraw/zinc/55/54/62/348555462.db2.gz QZELALBIGLBSRF-LBPRGKRZSA-N 0 3 272.389 2.012 10 0 CEAEHN CCN1CCO[C@H](c2cc3ccccc3nn2)CC1 ZINC000616686406 348560944 /nfs/dbraw/zinc/56/09/44/348560944.db2.gz JVNRSPVQFFGOCT-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN Cc1ccc([C@H](N)Cn2c3ncccc3oc2=O)cc1C ZINC000088396893 179590976 /nfs/dbraw/zinc/59/09/76/179590976.db2.gz MBTUYRQKIFJPAX-CYBMUJFWSA-N 0 3 283.331 2.306 10 0 CEAEHN N[C@H]1COC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000090378763 179979573 /nfs/dbraw/zinc/97/95/73/179979573.db2.gz BQWOFPZRXSCOBH-HOTGVXAUSA-N 0 3 294.439 2.454 10 0 CEAEHN CCn1c2c(cccc2Cl)nc1[C@]1(C)COC[C@H]1N ZINC000090571810 180007684 /nfs/dbraw/zinc/00/76/84/180007684.db2.gz ZACLHVZYAALOEP-BXUZGUMPSA-N 0 3 279.771 2.325 10 0 CEAEHN CC(C)n1c2ccccc2nc1[C@]1(C)COC[C@@H]1N ZINC000090571668 180007714 /nfs/dbraw/zinc/00/77/14/180007714.db2.gz HRCYJYMZMDYYIO-DZGCQCFKSA-N 0 3 259.353 2.232 10 0 CEAEHN C[C@@]1(c2nc3ccccc3n2CC(F)(F)F)COC[C@H]1N ZINC000090571875 180007883 /nfs/dbraw/zinc/00/78/83/180007883.db2.gz ANIZLJZNXUEKIJ-DGCLKSJQSA-N 0 3 299.296 2.214 10 0 CEAEHN CC(C)n1c2ccc(F)cc2nc1[C@]1(C)COC[C@H]1N ZINC000090571726 180007995 /nfs/dbraw/zinc/00/79/95/180007995.db2.gz AJNLVORXSKUDII-UKRRQHHQSA-N 0 3 277.343 2.372 10 0 CEAEHN CC(C)c1cccc(NC(=O)[C@]2(C)COC[C@H]2N)c1 ZINC000090582356 180008449 /nfs/dbraw/zinc/00/84/49/180008449.db2.gz HDJMXRFUKTYWNQ-UKRRQHHQSA-N 0 3 262.353 2.112 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc(Cl)cc2Cl)COC[C@@H]1N ZINC000090580347 180008463 /nfs/dbraw/zinc/00/84/63/180008463.db2.gz XQMTVMYRFWNFBF-CMPLNLGQSA-N 0 3 289.162 2.296 10 0 CEAEHN CCC(C)(C)C1CCC(NC(=O)[C@@]2(C)COC[C@H]2N)CC1 ZINC000090585353 180009640 /nfs/dbraw/zinc/00/96/40/180009640.db2.gz UBVAVMBBFSMJLF-GROLMSMHSA-N 0 3 296.455 2.461 10 0 CEAEHN CCCN(Cc1ccc(C)cc1)C(=O)[C@]1(C)COC[C@@H]1N ZINC000090590687 180010098 /nfs/dbraw/zinc/01/00/98/180010098.db2.gz ABPPINMUDJTBID-DOTOQJQBSA-N 0 3 290.407 2.097 10 0 CEAEHN CC(C)COc1cccc(NC(=O)[C@@]2(C)COC[C@H]2N)c1 ZINC000090589877 180010267 /nfs/dbraw/zinc/01/02/67/180010267.db2.gz RHLBXCPZFZPYQT-ZBFHGGJFSA-N 0 3 292.379 2.024 10 0 CEAEHN Cn1nccc1CNC[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090904784 180059895 /nfs/dbraw/zinc/05/98/95/180059895.db2.gz DIONRJUDRNAPDI-CYBMUJFWSA-N 0 3 277.755 2.167 10 0 CEAEHN CCN[C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cccc(OC)c1 ZINC000090905989 180060844 /nfs/dbraw/zinc/06/08/44/180060844.db2.gz AYOSSUJJKANMGD-IXDOHACOSA-N 0 3 290.407 2.209 10 0 CEAEHN NC[C@H](c1ccc2ncccc2c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905930 180061042 /nfs/dbraw/zinc/06/10/42/180061042.db2.gz LVYRTLUMQIQPOF-HLLBOEOZSA-N 0 3 283.375 2.098 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)NC[C@@H]1Cc2ccccc21 ZINC000090992598 180081921 /nfs/dbraw/zinc/08/19/21/180081921.db2.gz KZCUTKFSXXMKMR-JSGCOSHPSA-N 0 3 260.381 2.173 10 0 CEAEHN Cn1c(Cl)cnc1Cn1cccc1CNC1CC1 ZINC000091001407 180083436 /nfs/dbraw/zinc/08/34/36/180083436.db2.gz IHPJHTHYVGONRE-UHFFFAOYSA-N 0 3 264.760 2.175 10 0 CEAEHN CN1CCC2(CC1)C(=O)Nc1cc(Br)ccc12 ZINC000091303218 180129553 /nfs/dbraw/zinc/12/95/53/180129553.db2.gz SOWJEYXVGLHJTF-UHFFFAOYSA-N 0 3 295.180 2.365 10 0 CEAEHN O=C(Nc1ccncc1)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091359087 180140755 /nfs/dbraw/zinc/14/07/55/180140755.db2.gz IVMKOIILWRFZME-XBFCOCLRSA-N 0 3 259.353 2.331 10 0 CEAEHN c1cn([C@H]2CCC[C@H]2NCc2cncn2C2CC2)cn1 ZINC000091275122 180119072 /nfs/dbraw/zinc/11/90/72/180119072.db2.gz ARJJKRBIRFYVGO-CABCVRRESA-N 0 3 271.368 2.298 10 0 CEAEHN Fc1ccc(-c2noc(C[C@H]3CNCCO3)n2)cc1Cl ZINC000091295112 180124730 /nfs/dbraw/zinc/12/47/30/180124730.db2.gz QAVUQMSKVRFLEL-VIFPVBQESA-N 0 3 297.717 2.060 10 0 CEAEHN c1c2ccccc2oc1-c1noc(C[C@@H]2CNCCO2)n1 ZINC000091295113 180124972 /nfs/dbraw/zinc/12/49/72/180124972.db2.gz KCBGVSOBBBPLBB-LLVKDONJSA-N 0 3 285.303 2.014 10 0 CEAEHN CCNCc1cncc(Oc2ccccc2OC)n1 ZINC000091434696 180154250 /nfs/dbraw/zinc/15/42/50/180154250.db2.gz RIPGVOJEYOGVRO-UHFFFAOYSA-N 0 3 259.309 2.387 10 0 CEAEHN C[C@@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccncc1 ZINC000091437267 180155158 /nfs/dbraw/zinc/15/51/58/180155158.db2.gz XRGCLWWDSXMYMP-BNOWGMLFSA-N 0 3 282.409 2.088 10 0 CEAEHN CC(C)CN(C)c1cncc(CNC(C)(C)C)n1 ZINC000091419183 180150472 /nfs/dbraw/zinc/15/04/72/180150472.db2.gz YCDSATQOXRAGQQ-UHFFFAOYSA-N 0 3 250.390 2.457 10 0 CEAEHN CCCNCc1cncc(N(C)C[C@@H](C)CC)n1 ZINC000091419208 180150482 /nfs/dbraw/zinc/15/04/82/180150482.db2.gz FWBJRYZKFVPTQW-LBPRGKRZSA-N 0 3 250.390 2.459 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](N(C)C)C2)o1 ZINC000105087005 186040706 /nfs/dbraw/zinc/04/07/06/186040706.db2.gz WTDGMGVMLGARLE-STQMWFEESA-N 0 3 279.384 2.385 10 0 CEAEHN COc1ccc(C)cc1[C@@H](N)C(C)(C)N1CCOCC1 ZINC000091566394 180194099 /nfs/dbraw/zinc/19/40/99/180194099.db2.gz JFNLNMXIVUHOND-OAHLLOKOSA-N 0 3 278.396 2.114 10 0 CEAEHN Cc1cc(CC(=O)C(C)(C)N2CCCCCC2)n(C)n1 ZINC000091567253 180194679 /nfs/dbraw/zinc/19/46/79/180194679.db2.gz MATLOQDBDRPQQR-UHFFFAOYSA-N 0 3 277.412 2.495 10 0 CEAEHN CC[C@](C)([C@@H](NC)c1cc(Cl)cnc1N)N(C)C ZINC000091570343 180195755 /nfs/dbraw/zinc/19/57/55/180195755.db2.gz WYMWOINVSYWYJU-WCQYABFASA-N 0 3 270.808 2.308 10 0 CEAEHN CC[C@](C)([C@H](N)c1ccc(F)cc1F)N1CCOCC1 ZINC000091611630 180206139 /nfs/dbraw/zinc/20/61/39/180206139.db2.gz HDSHHBWUAWNVOQ-HUUCEWRRSA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cc(F)ccc1F)N1CCOCC1 ZINC000091611588 180206456 /nfs/dbraw/zinc/20/64/56/180206456.db2.gz AZLZWSMYNZIUMA-LSDHHAIUSA-N 0 3 284.350 2.466 10 0 CEAEHN CC[C@](C)([C@H](O)C1CCCCC1)N1CCOCC1 ZINC000091611254 180206851 /nfs/dbraw/zinc/20/68/51/180206851.db2.gz KEXHYQGTMOEXDX-HUUCEWRRSA-N 0 3 255.402 2.429 10 0 CEAEHN CC[C@@](C)([C@H](NC)c1ccccc1OC)N1CCOCC1 ZINC000091612277 180207041 /nfs/dbraw/zinc/20/70/41/180207041.db2.gz WKAWYGVVLNVOPA-SJORKVTESA-N 0 3 292.423 2.457 10 0 CEAEHN CCN[C@@H](c1ccnn1CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612788 180207197 /nfs/dbraw/zinc/20/71/97/180207197.db2.gz SJEDEGIJKMAENT-JKSUJKDBSA-N 0 3 294.443 2.055 10 0 CEAEHN CCN[C@H](c1cnn(CC)c1)[C@@](C)(CC)N1CCOCC1 ZINC000091612998 180207327 /nfs/dbraw/zinc/20/73/27/180207327.db2.gz MEOWRJXSAPBRFI-HZPDHXFCSA-N 0 3 294.443 2.055 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cccc(F)c1F)N1CCOCC1 ZINC000091612108 180207443 /nfs/dbraw/zinc/20/74/43/180207443.db2.gz PFDJBJGCQGDJBM-LSDHHAIUSA-N 0 3 284.350 2.466 10 0 CEAEHN COc1ccc([C@H](O)C(C)(C)N(C)C)c(OC)c1 ZINC000091528326 180179968 /nfs/dbraw/zinc/17/99/68/180179968.db2.gz SNZHEIKFGBWOJL-ZDUSSCGKSA-N 0 3 253.342 2.077 10 0 CEAEHN CCN[C@@H](c1cc(Cl)cnc1N)C(C)(C)N(C)C ZINC000091528940 180180733 /nfs/dbraw/zinc/18/07/33/180180733.db2.gz XBKISWXLYZUZPX-NSHDSACASA-N 0 3 270.808 2.308 10 0 CEAEHN CC(C)CCC[C@H](C)N[C@H]1CC(=O)N(C2CC2)C1=O ZINC000105028399 186038680 /nfs/dbraw/zinc/03/86/80/186038680.db2.gz ZVFNPQWFXUECFG-AAEUAGOBSA-N 0 3 266.385 2.081 10 0 CEAEHN O[C@H](CCC1CC1)C1(N2CCOCC2)CCCC1 ZINC000091642724 180214325 /nfs/dbraw/zinc/21/43/25/180214325.db2.gz OEUMDEMNCKHQDF-CQSZACIVSA-N 0 3 253.386 2.183 10 0 CEAEHN Cc1cc(CC(=O)[C@]2(N(C)C)CCC[C@@H](C)C2)n(C)n1 ZINC000091649661 180216466 /nfs/dbraw/zinc/21/64/66/180216466.db2.gz LMXBDPOMUPCLGY-WBMJQRKESA-N 0 3 277.412 2.351 10 0 CEAEHN CN[C@H](c1cnccn1)C1(N(C)C)CCCCCC1 ZINC000091654417 180217391 /nfs/dbraw/zinc/21/73/91/180217391.db2.gz PYGDRKBCYROPII-CQSZACIVSA-N 0 3 262.401 2.392 10 0 CEAEHN CN1CCC[C@@H](CNc2nc(Cl)ncc2F)C1 ZINC000091655514 180218023 /nfs/dbraw/zinc/21/80/23/180218023.db2.gz GUCMTENPFHNYJF-QMMMGPOBSA-N 0 3 258.728 2.023 10 0 CEAEHN CN[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CN(C)CCO1 ZINC000091717602 180231942 /nfs/dbraw/zinc/23/19/42/180231942.db2.gz GRLBTYBMSOYTPU-CHWSQXEVSA-N 0 3 288.313 2.297 10 0 CEAEHN CN[C@H](c1ccc(C(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091717731 180232517 /nfs/dbraw/zinc/23/25/17/180232517.db2.gz HXCBFCXERNBILJ-JKSUJKDBSA-N 0 3 262.397 2.401 10 0 CEAEHN CCN[C@H](c1ccc(F)c(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718291 180233277 /nfs/dbraw/zinc/23/32/77/180233277.db2.gz SQUCSIIAUMCTJW-LSDHHAIUSA-N 0 3 266.360 2.115 10 0 CEAEHN CCCN[C@@H](c1ccc(F)cc1F)[C@H]1CN(C)CCO1 ZINC000091718984 180233386 /nfs/dbraw/zinc/23/33/86/180233386.db2.gz PZNGWMKODIIVAU-CABCVRRESA-N 0 3 284.350 2.336 10 0 CEAEHN CCN[C@@H](c1ccc(C)c(C)c1)[C@H]1CN(C)CCO1 ZINC000091718700 180233700 /nfs/dbraw/zinc/23/37/00/180233700.db2.gz LQTOVMGJAJBKDF-CVEARBPZSA-N 0 3 262.397 2.285 10 0 CEAEHN CCN[C@H](c1ccc(C)s1)[C@@H]1CN(C)CCO1 ZINC000091718895 180233790 /nfs/dbraw/zinc/23/37/90/180233790.db2.gz PJEOQDDGSMMELV-AAEUAGOBSA-N 0 3 254.399 2.038 10 0 CEAEHN CCCN[C@@H](c1cccc(OC)c1)[C@@H]1CN(C)CCO1 ZINC000091719042 180234060 /nfs/dbraw/zinc/23/40/60/180234060.db2.gz AEPSWFDWUPSTAK-HOTGVXAUSA-N 0 3 278.396 2.067 10 0 CEAEHN N[C@H](c1cccc(Cl)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091720524 180236046 /nfs/dbraw/zinc/23/60/46/180236046.db2.gz WYRGCTZFBUCEOH-MGPQQGTHSA-N 0 3 266.772 2.203 10 0 CEAEHN Cc1cc([C@H](C)N[C@@H]2CCOC[C@@H]2O)c(C)s1 ZINC000624235361 350238582 /nfs/dbraw/zinc/23/85/82/350238582.db2.gz JEBRIBYIBRPSQI-BIMULSAOSA-N 0 3 255.383 2.165 10 0 CEAEHN CCc1ccc(C(=O)N[C@@H](CN)c2ccccc2)o1 ZINC000091777290 180251885 /nfs/dbraw/zinc/25/18/85/180251885.db2.gz QENYVYHPSFTESV-ZDUSSCGKSA-N 0 3 258.321 2.272 10 0 CEAEHN Cc1ccc(C)n1NC(=O)C[C@H](N)c1ccccc1 ZINC000091795708 180257961 /nfs/dbraw/zinc/25/79/61/180257961.db2.gz QRDWPEXQQCYDQL-AWEZNQCLSA-N 0 3 257.337 2.265 10 0 CEAEHN CCCN[C@H](C)c1cnc([C@@H]2CN(C)CCO2)s1 ZINC000091722507 180240030 /nfs/dbraw/zinc/24/00/30/180240030.db2.gz XGVIMDMKEWGOSM-MNOVXSKESA-N 0 3 269.414 2.207 10 0 CEAEHN CC(C)NCc1cnc([C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722442 180240706 /nfs/dbraw/zinc/24/07/06/180240706.db2.gz RBHHFVIWYHTFBF-YPMHNXCESA-N 0 3 281.425 2.177 10 0 CEAEHN Cc1noc(CCNCc2cccc(OC(C)C)c2)n1 ZINC000105469460 186058700 /nfs/dbraw/zinc/05/87/00/186058700.db2.gz VDZHJNKNJNYDJM-UHFFFAOYSA-N 0 3 275.352 2.498 10 0 CEAEHN CCOc1cccc(CNCCc2nc(C)no2)c1 ZINC000105469400 186059408 /nfs/dbraw/zinc/05/94/08/186059408.db2.gz GHLYKFOEKWAFNV-UHFFFAOYSA-N 0 3 261.325 2.109 10 0 CEAEHN CN1CCO[C@@H](CNCc2ccc(Cl)c(Cl)c2)C1 ZINC000105472159 186059441 /nfs/dbraw/zinc/05/94/41/186059441.db2.gz LWKFSQSEFMIHNY-NSHDSACASA-N 0 3 289.206 2.414 10 0 CEAEHN C/C(=C\c1ccccc1)CNC[C@@H]1CN(C)CCO1 ZINC000105470955 186059796 /nfs/dbraw/zinc/05/97/96/186059796.db2.gz BLSPXSPUVOTRRH-HFQYIWAZSA-N 0 3 260.381 2.010 10 0 CEAEHN CCN(C(=O)c1ccc([O-])cc1)C1CCC([NH3+])CC1 ZINC000091850334 180272231 /nfs/dbraw/zinc/27/22/31/180272231.db2.gz GHZGEIUBVXJECR-UHFFFAOYSA-N 0 3 262.353 2.124 10 0 CEAEHN CNCc1nc(C)ccc1OCc1cn2ccccc2n1 ZINC000091994530 180300811 /nfs/dbraw/zinc/30/08/11/180300811.db2.gz MMUYSEZFEHADMX-UHFFFAOYSA-N 0 3 282.347 2.336 10 0 CEAEHN Cc1ccc(OCC(C)(C)O)c(CNC(C)(C)C)n1 ZINC000091996203 180302075 /nfs/dbraw/zinc/30/20/75/180302075.db2.gz ORICGISQYPKFED-UHFFFAOYSA-N 0 3 266.385 2.428 10 0 CEAEHN COC(=O)[C@@H](C)Oc1ccc(C)nc1CNCC(C)C ZINC000091996433 180302422 /nfs/dbraw/zinc/30/24/22/180302422.db2.gz IWHGJLIALNHJQM-GFCCVEGCSA-N 0 3 280.368 2.076 10 0 CEAEHN COc1cc(N)ccc1NC(=O)[C@H](C)N1C[C@H](C)[C@H](C)C1 ZINC000092080655 180318418 /nfs/dbraw/zinc/31/84/18/180318418.db2.gz SRULROHKRCJOOG-TUAOUCFPSA-N 0 3 291.395 2.192 10 0 CEAEHN CCCNCc1c(C)nn(C)c1N1C[C@@H](C)[C@H](C)C1 ZINC000092086764 180320324 /nfs/dbraw/zinc/32/03/24/180320324.db2.gz UIPXEYFCWDNXIN-VXGBXAGGSA-N 0 3 264.417 2.320 10 0 CEAEHN CCNc1cccc(CN(CC)[C@H](C)COC)n1 ZINC000092368747 180370378 /nfs/dbraw/zinc/37/03/78/180370378.db2.gz IQDYNJKEMRJPKN-GFCCVEGCSA-N 0 3 251.374 2.370 10 0 CEAEHN Cc1ccc(C)c([C@H](C)NC[C@@H]2CN(C)CCO2)c1 ZINC000106388086 186112715 /nfs/dbraw/zinc/11/27/15/186112715.db2.gz RHGUNGFEQKEULV-LSDHHAIUSA-N 0 3 262.397 2.285 10 0 CEAEHN CC(C)[C@H]1CSC(NC[C@H]2CCCCN2C)=N1 ZINC000092402491 180377551 /nfs/dbraw/zinc/37/75/51/180377551.db2.gz QHKRWPHJUSYDQY-VXGBXAGGSA-N 0 3 255.431 2.188 10 0 CEAEHN CCc1nn(C)cc1CN[C@H]1CCCC[C@H]1OC ZINC000092409423 180379864 /nfs/dbraw/zinc/37/98/64/180379864.db2.gz REAXXQAOPIOVEF-UONOGXRCSA-N 0 3 251.374 2.030 10 0 CEAEHN CNc1ccnc(Cn2cc(C(F)(F)F)cn2)c1 ZINC000092419862 180382696 /nfs/dbraw/zinc/38/26/96/180382696.db2.gz BOEHKSTUSXQCPU-UHFFFAOYSA-N 0 3 256.231 2.387 10 0 CEAEHN CCCC[C@H](C)N[C@H]1CC(=O)N(C(CC)CC)C1=O ZINC000106785130 186135564 /nfs/dbraw/zinc/13/55/64/186135564.db2.gz CGKKKVGSWKSQDM-AAEUAGOBSA-N 0 3 268.401 2.471 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@H](n1cc(C)cn1)CC2 ZINC000092386110 180373398 /nfs/dbraw/zinc/37/33/98/180373398.db2.gz PSHXFHYYYSUBAG-HUUCEWRRSA-N 0 3 257.337 2.387 10 0 CEAEHN CCOCCO[C@@H]1CCc2ccc(OC)cc2[C@@H]1NC ZINC000092386385 180373473 /nfs/dbraw/zinc/37/34/73/180373473.db2.gz AZVXEAARFGCLPV-CVEARBPZSA-N 0 3 279.380 2.324 10 0 CEAEHN COc1ccc2c(c1)[C@](CN)(NCC(F)(F)F)CCC2 ZINC000092384849 180373916 /nfs/dbraw/zinc/37/39/16/180373916.db2.gz CRKBLLBJZVDDRA-ZDUSSCGKSA-N 0 3 288.313 2.337 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)C[C@H]1CCCOC1 ZINC000107835486 186194199 /nfs/dbraw/zinc/19/41/99/186194199.db2.gz DNEBPAJSTRXUCD-HUUCEWRRSA-N 0 3 299.459 2.031 10 0 CEAEHN CCN[C@H](COC)Cc1nc(-c2ccc(F)cc2)no1 ZINC000109502691 186257271 /nfs/dbraw/zinc/25/72/71/186257271.db2.gz OADHSKSQSKGFEU-LBPRGKRZSA-N 0 3 279.315 2.043 10 0 CEAEHN Cn1cnnc1CCN[C@@H]1CCSc2ccccc21 ZINC000109421060 186251432 /nfs/dbraw/zinc/25/14/32/186251432.db2.gz QCSMXRABPTZCRW-GFCCVEGCSA-N 0 3 274.393 2.184 10 0 CEAEHN C[C@H](C(N)=S)N1CCN(Cc2ccccc2Cl)CC1 ZINC000109468585 186253705 /nfs/dbraw/zinc/25/37/05/186253705.db2.gz RGMRRFVVXQNHJX-LLVKDONJSA-N 0 3 297.855 2.132 10 0 CEAEHN CNCc1oc2ccccc2c1CO[C@@H]1CCOC1 ZINC000110532758 186301963 /nfs/dbraw/zinc/30/19/63/186301963.db2.gz KENKVYQJGIQIOP-LLVKDONJSA-N 0 3 261.321 2.458 10 0 CEAEHN COc1cc2c(cc1F)[nH]c(=S)n2CCCN(C)C ZINC000110628234 186306611 /nfs/dbraw/zinc/30/66/11/186306611.db2.gz BBRKHQHUCSWAAW-UHFFFAOYSA-N 0 3 283.372 2.424 10 0 CEAEHN CC[C@H](C)N1CCN(c2cc(OC)c(F)cc2N)CC1 ZINC000110627829 186306727 /nfs/dbraw/zinc/30/67/27/186306727.db2.gz IPCYBPBQAYTWRC-NSHDSACASA-N 0 3 281.375 2.337 10 0 CEAEHN COc1cc(N2CCN(CC(C)C)CC2)c(N)cc1F ZINC000110627832 186306946 /nfs/dbraw/zinc/30/69/46/186306946.db2.gz GVPZSUWJNOHTFV-UHFFFAOYSA-N 0 3 281.375 2.195 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1O[C@H]1CCS(=O)(=O)C1 ZINC000110960688 186336449 /nfs/dbraw/zinc/33/64/49/186336449.db2.gz RCQVJSKREYXBJC-OLZOCXBDSA-N 0 3 297.420 2.231 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1OCC(=O)NC1CC1 ZINC000110960611 186336651 /nfs/dbraw/zinc/33/66/51/186336651.db2.gz YRBYKMYDWUHIRS-GFCCVEGCSA-N 0 3 276.380 2.323 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1O[C@@H](C)C(=O)OC ZINC000110960306 186336817 /nfs/dbraw/zinc/33/68/17/186336817.db2.gz ZXSHNESLXHQCJG-QWRGUYRKSA-N 0 3 251.326 2.216 10 0 CEAEHN Cc1ccc([C@H](O)[C@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110736507 186318951 /nfs/dbraw/zinc/31/89/51/186318951.db2.gz ZNSNNUVWUBBKBA-GOEBONIOSA-N 0 3 276.424 2.443 10 0 CEAEHN CCOC(CCN1CCO[C@@H]2CCCC[C@@H]21)OCC ZINC000110785391 186324062 /nfs/dbraw/zinc/32/40/62/186324062.db2.gz GFOMRJPXCLQPLE-UONOGXRCSA-N 0 3 271.401 2.419 10 0 CEAEHN CC1CCN(CCNC(=O)c2c(N)cccc2Cl)CC1 ZINC000111011484 186343086 /nfs/dbraw/zinc/34/30/86/186343086.db2.gz RSHDMYMSYYQECS-UHFFFAOYSA-N 0 3 295.814 2.384 10 0 CEAEHN CCOC1CCN([C@@H](CN)c2cccc(F)c2F)CC1 ZINC000111039387 186346487 /nfs/dbraw/zinc/34/64/87/186346487.db2.gz COZOGKSYNGBLAV-AWEZNQCLSA-N 0 3 284.350 2.466 10 0 CEAEHN CCCOCCOC[C@H](NC)c1ccc(OC)cc1 ZINC000111107902 186352319 /nfs/dbraw/zinc/35/23/19/186352319.db2.gz IJYPJNKPUKINBV-HNNXBMFYSA-N 0 3 267.369 2.399 10 0 CEAEHN CCCOCCO[C@@H]1CCc2cc(OC)ccc2[C@H]1N ZINC000111107329 186353058 /nfs/dbraw/zinc/35/30/58/186353058.db2.gz MHKYYMZSHUYPKX-HZPDHXFCSA-N 0 3 279.380 2.453 10 0 CEAEHN CCNCc1occc1CN(CC)CCOCC ZINC000111123776 186354792 /nfs/dbraw/zinc/35/47/92/186354792.db2.gz RCZCLZYINAMXHR-UHFFFAOYSA-N 0 3 254.374 2.248 10 0 CEAEHN COc1ccc(C(C)=O)cc1CN(C)CCCN(C)C ZINC000111139999 186357258 /nfs/dbraw/zinc/35/72/58/186357258.db2.gz GTSZNOQCCVZSMX-UHFFFAOYSA-N 0 3 278.396 2.281 10 0 CEAEHN CCOc1ccccc1C(=O)CN(C)CCCN(C)C ZINC000111140071 186357452 /nfs/dbraw/zinc/35/74/52/186357452.db2.gz ZCKWLYILBPKRRR-UHFFFAOYSA-N 0 3 278.396 2.152 10 0 CEAEHN CN(C)c1nnc(Sc2ccc(F)cc2CN)s1 ZINC000111316244 186395945 /nfs/dbraw/zinc/39/59/45/186395945.db2.gz GATAGDHYLHMNEY-UHFFFAOYSA-N 0 3 284.385 2.353 10 0 CEAEHN Cc1ccsc1[C@@H](CN)N1CCN(C)C(C)(C)C1 ZINC000111237360 186372952 /nfs/dbraw/zinc/37/29/52/186372952.db2.gz DCLPZVGXYVAZKB-GFCCVEGCSA-N 0 3 267.442 2.082 10 0 CEAEHN Cc1cc(Sc2ccc(F)cc2CN)n(C)n1 ZINC000111238459 186373779 /nfs/dbraw/zinc/37/37/79/186373779.db2.gz RQNXKQAIYOSSEH-UHFFFAOYSA-N 0 3 251.330 2.478 10 0 CEAEHN CC[C@@H](C)c1noc(-c2cnc(C3([NH3+])CCC3)[n-]2)n1 ZINC000111274283 186384875 /nfs/dbraw/zinc/38/48/75/186384875.db2.gz OKAFAPKJJIXOHF-MRVPVSSYSA-N 0 3 261.329 2.311 10 0 CEAEHN CC[C@@H](C)c1noc(-c2c[nH]c(C3(N)CCC3)n2)n1 ZINC000111274283 186384877 /nfs/dbraw/zinc/38/48/77/186384877.db2.gz OKAFAPKJJIXOHF-MRVPVSSYSA-N 0 3 261.329 2.311 10 0 CEAEHN Cc1nc(Cl)c(C)c(OCCN2CCCC2)n1 ZINC000111294089 186391155 /nfs/dbraw/zinc/39/11/55/186391155.db2.gz FCUOQSUKQYGBPJ-UHFFFAOYSA-N 0 3 255.749 2.221 10 0 CEAEHN CCOCCCN1C[C@@H]2CCCCN2C[C@H]1CC ZINC000251921217 539810926 /nfs/dbraw/zinc/81/09/26/539810926.db2.gz YMPANZZEQSGVSX-CABCVRRESA-N 0 3 254.418 2.362 10 0 CEAEHN CC(C)OC[C@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000116404435 186712048 /nfs/dbraw/zinc/71/20/48/186712048.db2.gz WXUUPSKZEUDRSC-CHWSQXEVSA-N 0 3 253.342 2.202 10 0 CEAEHN CN(C)C[C@H](NC(=O)c1ccc(F)nc1)c1ccccc1 ZINC000070083911 363031062 /nfs/dbraw/zinc/03/10/62/363031062.db2.gz CWKWFMYUABGILX-AWEZNQCLSA-N 0 3 287.338 2.253 10 0 CEAEHN O=C(c1ccc2cc[nH]c2c1)N1CCN2CCC[C@H]2C1 ZINC000070165652 363041203 /nfs/dbraw/zinc/04/12/03/363041203.db2.gz BIAIDKMLSXKKRH-AWEZNQCLSA-N 0 3 269.348 2.088 10 0 CEAEHN CC(C)[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000121987222 187009117 /nfs/dbraw/zinc/00/91/17/187009117.db2.gz OLIBJDLRTDOKNP-STQMWFEESA-N 0 3 269.410 2.483 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CCSC1 ZINC000123031856 187066775 /nfs/dbraw/zinc/06/67/75/187066775.db2.gz CIPOCZWHBXLHAI-OLZOCXBDSA-N 0 3 287.473 2.110 10 0 CEAEHN C[C@H](CN[C@@H](C)c1ccc(F)cc1F)N1CCOCC1 ZINC000123300913 187083838 /nfs/dbraw/zinc/08/38/38/187083838.db2.gz YBZIDMANNOFQOM-NEPJUHHUSA-N 0 3 284.350 2.336 10 0 CEAEHN CCc1ccc([C@@H](C)NC[C@H](C)N2CCOCC2)o1 ZINC000123569334 187098994 /nfs/dbraw/zinc/09/89/94/187098994.db2.gz MZKNGCMLTMYHDP-QWHCGFSZSA-N 0 3 266.385 2.213 10 0 CEAEHN NC(=O)CC1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000123954081 187115643 /nfs/dbraw/zinc/11/56/43/187115643.db2.gz LXJGKEMXPODJBS-UHFFFAOYSA-N 0 3 283.375 2.322 10 0 CEAEHN OC[C@@H]1CN(C[C@H]2Cc3ccccc32)CCC1(F)F ZINC000291953056 198116222 /nfs/dbraw/zinc/11/62/22/198116222.db2.gz UPWXNEFKGBIKBN-OLZOCXBDSA-N 0 3 267.319 2.276 10 0 CEAEHN O[C@H]1CCC[C@H](NCc2ccncc2Br)C1 ZINC000631050168 351938338 /nfs/dbraw/zinc/93/83/38/351938338.db2.gz QRIPMAHIHXPXME-QWRGUYRKSA-N 0 3 285.185 2.237 10 0 CEAEHN C[C@@H]1CN(c2cccc(Br)c2)CCN1 ZINC000071576404 363110380 /nfs/dbraw/zinc/11/03/80/363110380.db2.gz WYJHLGRREDUOSD-SECBINFHSA-N 0 3 255.159 2.247 10 0 CEAEHN CC(C)COCCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000072012921 363120085 /nfs/dbraw/zinc/12/00/85/363120085.db2.gz XRLBTIWCZYTRQX-CQSZACIVSA-N 0 3 272.433 2.142 10 0 CEAEHN N[C@H](CO)c1c(F)c(Cl)ccc1C(F)(F)F ZINC000072199264 363121028 /nfs/dbraw/zinc/12/10/28/363121028.db2.gz NYBZKJKLRWUMDH-ZCFIWIBFSA-N 0 3 257.614 2.490 10 0 CEAEHN COc1cccc(NC(=O)CCN2CCS[C@@H](C)C2)c1 ZINC000072608025 363148419 /nfs/dbraw/zinc/14/84/19/363148419.db2.gz FKIWUMHGSOFTEZ-LBPRGKRZSA-N 0 3 294.420 2.461 10 0 CEAEHN C[C@H]1CC(C(=O)N2CC[C@@H](N(C)C)C2)C[C@H](C)C1 ZINC000248528343 290329667 /nfs/dbraw/zinc/32/96/67/290329667.db2.gz DJMIRZIMQFSBAV-YRGRVCCFSA-N 0 3 252.402 2.221 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nc2c(s1)CCC2 ZINC000678830334 539927047 /nfs/dbraw/zinc/92/70/47/539927047.db2.gz KMNWLAWRICWBLZ-VXGBXAGGSA-N 0 3 277.437 2.300 10 0 CEAEHN CN(C)C[C@@H](NC(=O)NC(C)(C)C)c1ccccc1 ZINC000153835033 188106494 /nfs/dbraw/zinc/10/64/94/188106494.db2.gz KAPRXEYVYSUHBD-CYBMUJFWSA-N 0 3 263.385 2.387 10 0 CEAEHN CCOc1ccc(NC(=O)C2(N)CCOCC2)cc1Cl ZINC000132146988 366120977 /nfs/dbraw/zinc/12/09/77/366120977.db2.gz QFOKTKIGHSBMBV-UHFFFAOYSA-N 0 3 298.770 2.185 10 0 CEAEHN Cc1ccc2cccc(C(=O)N3CC[C@H](N(C)C)C3)c2n1 ZINC000132779766 366171069 /nfs/dbraw/zinc/17/10/69/366171069.db2.gz WBWTXYYNEDHKPI-AWEZNQCLSA-N 0 3 283.375 2.319 10 0 CEAEHN Fc1cccc2c1ncnc2N1CCCN(C2CC2)CC1 ZINC000302918466 283025413 /nfs/dbraw/zinc/02/54/13/283025413.db2.gz XSXVYVKEYZFKMQ-UHFFFAOYSA-N 0 3 286.354 2.443 10 0 CEAEHN CS[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000172539026 188810850 /nfs/dbraw/zinc/81/08/50/188810850.db2.gz BMWCXTYUEFDKNG-KBPBESRZSA-N 0 3 278.421 2.253 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2cccnc2)=C[C@@H](N)C1 ZINC000675078760 540119013 /nfs/dbraw/zinc/11/90/13/540119013.db2.gz SEEJRZBIFFREKU-CYBMUJFWSA-N 0 3 275.352 2.043 10 0 CEAEHN CCN[S@](=O)(=NCC(C)C)c1ccc(N)cc1 ZINC000675074221 540115872 /nfs/dbraw/zinc/11/58/72/540115872.db2.gz DUXHKAOVRRFJNO-KRWDZBQOSA-N 0 3 255.387 2.276 10 0 CEAEHN NN1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000075442918 363464540 /nfs/dbraw/zinc/46/45/40/363464540.db2.gz XRCBYIPHXRTHAN-UHFFFAOYSA-N 0 3 281.403 2.310 10 0 CEAEHN CCN1CCO[C@@H](CNCc2ccc(C3CC3)cc2)C1 ZINC000165910307 540327273 /nfs/dbraw/zinc/32/72/73/540327273.db2.gz AWLQMQYJQFGXTB-KRWDZBQOSA-N 0 3 274.408 2.374 10 0 CEAEHN NC(=O)[C@@H](NCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000038000903 283313853 /nfs/dbraw/zinc/31/38/53/283313853.db2.gz SGGOYAXQPKMJQP-NSHDSACASA-N 0 3 272.270 2.231 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C1 ZINC000136580277 366516534 /nfs/dbraw/zinc/51/65/34/366516534.db2.gz OPEGECMQGSFBEZ-AAEUAGOBSA-N 0 3 293.436 2.471 10 0 CEAEHN CNCc1cc(C)nc(C(Cl)(Cl)Cl)n1 ZINC000685959694 540658981 /nfs/dbraw/zinc/65/89/81/540658981.db2.gz QTGFTNBGDRMBJE-UHFFFAOYSA-N 0 3 254.548 2.331 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1ccc(F)cc1 ZINC000177025052 189022002 /nfs/dbraw/zinc/02/20/02/189022002.db2.gz OHHYENADEUKDJI-OAHLLOKOSA-N 0 3 293.386 2.451 10 0 CEAEHN O=C(N1CCN2CCC[C@H]2C1)C1(Cc2ccccc2)CC1 ZINC000177473087 189053247 /nfs/dbraw/zinc/05/32/47/189053247.db2.gz DVEFBHYGOSIFFK-INIZCTEOSA-N 0 3 284.403 2.316 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@@H]2C1)c1ccccc1F ZINC000177766858 189067976 /nfs/dbraw/zinc/06/79/76/189067976.db2.gz OFXMXFHXCXUVOI-CJNGLKHVSA-N 0 3 278.371 2.029 10 0 CEAEHN Cc1cc(CN2CCC[C@H]2Cn2ccnc2C)on1 ZINC000178306802 189104642 /nfs/dbraw/zinc/10/46/42/189104642.db2.gz CUBNXPXOFGJJOA-ZDUSSCGKSA-N 0 3 260.341 2.153 10 0 CEAEHN C[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000178398777 189113192 /nfs/dbraw/zinc/11/31/92/189113192.db2.gz MYVBBYMURILNNX-SWLSCSKDSA-N 0 3 260.381 2.452 10 0 CEAEHN Cc1ccc2cc(C(=O)N3CCN4CCC[C@H]4C3)ccc2n1 ZINC000178525475 189123856 /nfs/dbraw/zinc/12/38/56/189123856.db2.gz XHOPZCZXAZZVHQ-INIZCTEOSA-N 0 3 295.386 2.463 10 0 CEAEHN Cc1cc(C)c(CC(=O)N2CCN3CCC[C@H]3C2)c(C)c1 ZINC000179913183 189227900 /nfs/dbraw/zinc/22/79/00/189227900.db2.gz SRZJLMGNMRSGCY-INIZCTEOSA-N 0 3 286.419 2.461 10 0 CEAEHN CSc1cc(C(=O)N2CCN3CCC[C@@H]3C2)ccc1F ZINC000179813986 189221809 /nfs/dbraw/zinc/22/18/09/189221809.db2.gz JQIHHOADTXEDHW-GFCCVEGCSA-N 0 3 294.395 2.468 10 0 CEAEHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc2ccccc2n1 ZINC000180490501 189258059 /nfs/dbraw/zinc/25/80/59/189258059.db2.gz PGVNADQWMNPOGX-ZFWWWQNUSA-N 0 3 285.391 2.216 10 0 CEAEHN CCC[C@@H](N)C(=O)NC[C@H](C)Oc1ccccc1C ZINC000083479124 363775306 /nfs/dbraw/zinc/77/53/06/363775306.db2.gz WSSZQSKDINFZAI-QWHCGFSZSA-N 0 3 264.369 2.006 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccnc1Cl ZINC000083550575 363780120 /nfs/dbraw/zinc/78/01/20/363780120.db2.gz ZVNFXVFCXHEVCL-GHMZBOCLSA-N 0 3 279.771 2.044 10 0 CEAEHN CCN1CCc2c(cccc2Nc2ncnc3n[nH]cc32)C1 ZINC000301679798 201132785 /nfs/dbraw/zinc/13/27/85/201132785.db2.gz FCUXXWAAKNPGGM-UHFFFAOYSA-N 0 3 294.362 2.475 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)cn1 ZINC000184252500 189380544 /nfs/dbraw/zinc/38/05/44/189380544.db2.gz SIZMWIVNKXWNCN-CYBMUJFWSA-N 0 3 276.384 2.338 10 0 CEAEHN c1csc(-c2noc(CN3CCN4CCC[C@H]4C3)n2)c1 ZINC000022932726 361590915 /nfs/dbraw/zinc/59/09/15/361590915.db2.gz YFXLVGCCGRCHFS-NSHDSACASA-N 0 3 290.392 2.078 10 0 CEAEHN Cc1cc(Cl)cc(CN[C@H]2CCC(=O)N[C@H]2C)c1 ZINC000334597166 364063629 /nfs/dbraw/zinc/06/36/29/364063629.db2.gz OWOCURYXWBJHOB-GWCFXTLKSA-N 0 3 266.772 2.405 10 0 CEAEHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000092632802 364092881 /nfs/dbraw/zinc/09/28/81/364092881.db2.gz HYEXTRIKVDFQBX-CYBMUJFWSA-N 0 3 276.380 2.257 10 0 CEAEHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000092632802 364092888 /nfs/dbraw/zinc/09/28/88/364092888.db2.gz HYEXTRIKVDFQBX-CYBMUJFWSA-N 0 3 276.380 2.257 10 0 CEAEHN Cc1cccc(NC[C@H]2CCN(Cc3cc[nH]n3)C2)n1 ZINC000092813420 364109535 /nfs/dbraw/zinc/10/95/35/364109535.db2.gz WQPBJFPGHSZAMT-CYBMUJFWSA-N 0 3 271.368 2.047 10 0 CEAEHN CCCNCC(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000095081986 364336013 /nfs/dbraw/zinc/33/60/13/364336013.db2.gz SFAALUVAWUALEG-UHFFFAOYSA-N 0 3 282.212 2.320 10 0 CEAEHN CCn1nc(C)c([C@@H](C)N[C@H](C)CCCO)c1C ZINC000094942436 364309907 /nfs/dbraw/zinc/30/99/07/364309907.db2.gz LNZACWCSQXPJSB-GHMZBOCLSA-N 0 3 253.390 2.331 10 0 CEAEHN O=C(CN1CCN2CCC[C@@H]2C1)c1c[nH]c2ccccc12 ZINC000113412476 364893257 /nfs/dbraw/zinc/89/32/57/364893257.db2.gz XEMYBIQLDPYXID-CYBMUJFWSA-N 0 3 283.375 2.131 10 0 CEAEHN COC[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114642003 364954333 /nfs/dbraw/zinc/95/43/33/364954333.db2.gz YFPGKWMSTJRNAD-HOCLYGCPSA-N 0 3 290.407 2.050 10 0 CEAEHN Cn1c(CNC[C@H]2CCc3nccn3C2)nc2ccccc21 ZINC000275452835 193044288 /nfs/dbraw/zinc/04/42/88/193044288.db2.gz GRTVHMQGBNUCJF-CYBMUJFWSA-N 0 3 295.390 2.122 10 0 CEAEHN CN(C)CCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119333919 365255686 /nfs/dbraw/zinc/25/56/86/365255686.db2.gz MCXNDRIBXVLVQH-CQSZACIVSA-N 0 3 279.359 2.064 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1ccc(C(=O)OC)s1 ZINC000119565282 365292229 /nfs/dbraw/zinc/29/22/29/365292229.db2.gz MVGLFAPXUTUFNQ-GFCCVEGCSA-N 0 3 296.436 2.451 10 0 CEAEHN COCc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000159077115 366874085 /nfs/dbraw/zinc/87/40/85/366874085.db2.gz VFXUGWUIJNPZDG-CJNGLKHVSA-N 0 3 290.407 2.292 10 0 CEAEHN CC[C@@H]1CN(Cc2c(F)cccc2F)CCN1C[C@@H](C)O ZINC000120762709 365471334 /nfs/dbraw/zinc/47/13/34/365471334.db2.gz NHVAHGSAKSBEHT-CHWSQXEVSA-N 0 3 298.377 2.242 10 0 CEAEHN CCC[C@H](C(=O)NCCc1cccc(C)c1)N(C)C ZINC000161879985 367119144 /nfs/dbraw/zinc/11/91/44/367119144.db2.gz MLIXKJSVJWFMSS-OAHLLOKOSA-N 0 3 262.397 2.384 10 0 CEAEHN C[C@H](c1ccccn1)N(C)C[C@@H](O)COC(C)(C)C ZINC000245545891 370836909 /nfs/dbraw/zinc/83/69/09/370836909.db2.gz UOYBYHHGZXEOEX-CHWSQXEVSA-N 0 3 266.385 2.250 10 0 CEAEHN CCc1nnc([C@H]2C[N@H+](C[C@@H]3CC=CCC3)CCO2)[n-]1 ZINC000245505594 370829402 /nfs/dbraw/zinc/82/94/02/370829402.db2.gz MJZOELYIGNAQLI-CHWSQXEVSA-N 0 3 276.384 2.097 10 0 CEAEHN CCc1nnc([C@H]2C[N@@H+](C[C@@H]3CC=CCC3)CCO2)[n-]1 ZINC000245505594 370829404 /nfs/dbraw/zinc/82/94/04/370829404.db2.gz MJZOELYIGNAQLI-CHWSQXEVSA-N 0 3 276.384 2.097 10 0 CEAEHN C[C@H](O)CN1CCN(CCCc2cccc(F)c2)C[C@H]1C ZINC000245529270 370833081 /nfs/dbraw/zinc/83/30/81/370833081.db2.gz RGILBWDXZCDZKE-CABCVRRESA-N 0 3 294.414 2.145 10 0 CEAEHN CCc1nn(C)c(CC)c1CN1CCN2CCCC[C@H]2C1 ZINC000245572406 370842938 /nfs/dbraw/zinc/84/29/38/370842938.db2.gz YHZKNBVJSQPRJH-AWEZNQCLSA-N 0 3 290.455 2.215 10 0 CEAEHN CN(C1CCCC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245600140 370846151 /nfs/dbraw/zinc/84/61/51/370846151.db2.gz IRABUODVDIHLKK-QWHCGFSZSA-N 0 3 259.415 2.217 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N[C@H]2CC23CCCCC3)C1 ZINC000245595722 370846474 /nfs/dbraw/zinc/84/64/74/370846474.db2.gz IKQNPGZHCXQWLM-KBPBESRZSA-N 0 3 279.428 2.493 10 0 CEAEHN C[C@H]1CC(CNCc2cn(C(C)(C)C)nn2)C[C@H](C)O1 ZINC000341462500 367344204 /nfs/dbraw/zinc/34/42/04/367344204.db2.gz OQSIBUOEFOTTJG-RYUDHWBXSA-N 0 3 280.416 2.326 10 0 CEAEHN CC/C=C\CCN1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000342252627 367398430 /nfs/dbraw/zinc/39/84/30/367398430.db2.gz SRLFQCYCRUFXBZ-BEWKBBBFSA-N 0 3 254.418 2.120 10 0 CEAEHN CCc1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)s1 ZINC000170830540 367427254 /nfs/dbraw/zinc/42/72/54/367427254.db2.gz OOWRDBQHQRBKKB-NSHDSACASA-N 0 3 281.425 2.156 10 0 CEAEHN C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000170854860 367431164 /nfs/dbraw/zinc/43/11/64/367431164.db2.gz LSEOTQVGWFRYLL-WFASDCNBSA-N 0 3 278.371 2.167 10 0 CEAEHN Cc1nc(-c2ccco2)ccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170868231 367435729 /nfs/dbraw/zinc/43/57/29/367435729.db2.gz SWODZQIHSQNFKZ-ZDUSSCGKSA-N 0 3 299.374 2.426 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000170874691 367438492 /nfs/dbraw/zinc/43/84/92/367438492.db2.gz HUAQSNIHNOXDSY-SNVBAGLBSA-N 0 3 280.397 2.188 10 0 CEAEHN CCOC(=O)CCCN1CCC(c2cnn(CC)c2)CC1 ZINC000171037474 367466004 /nfs/dbraw/zinc/46/60/04/367466004.db2.gz FGRJGGHBOLBKJS-UHFFFAOYSA-N 0 3 293.411 2.426 10 0 CEAEHN C[C@H]1CN(C(=O)c2ccc(CN(C)C)cc2)CCS1 ZINC000171568075 367568249 /nfs/dbraw/zinc/56/82/49/367568249.db2.gz MZRUSMABPVCHOZ-LBPRGKRZSA-N 0 3 278.421 2.326 10 0 CEAEHN C/C(=C\C(=O)N1CC[C@H](N(C)C)C1)c1cccc(F)c1 ZINC000171777946 367613488 /nfs/dbraw/zinc/61/34/88/367613488.db2.gz IKFRBSWJUPGIIW-RZXPCSSPSA-N 0 3 276.355 2.392 10 0 CEAEHN FC(F)(F)c1cccnc1N1CCN2CCC[C@@H]2C1 ZINC000171939006 367642919 /nfs/dbraw/zinc/64/29/19/367642919.db2.gz XMSRNGPZQPEBAO-SNVBAGLBSA-N 0 3 271.286 2.385 10 0 CEAEHN Cc1cc(CNC(=O)N2CCN3CCC[C@H]3C2)ccc1F ZINC000171899641 367635545 /nfs/dbraw/zinc/63/55/45/367635545.db2.gz OEQWPFATHPQXNE-AWEZNQCLSA-N 0 3 291.370 2.124 10 0 CEAEHN CC(C)OC(=O)CCN1CC[C@H](CNc2ccccn2)C1 ZINC000173778806 367943145 /nfs/dbraw/zinc/94/31/45/367943145.db2.gz IOAPRLJPKBDOEH-CQSZACIVSA-N 0 3 291.395 2.157 10 0 CEAEHN Cc1ccc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000173885388 367954711 /nfs/dbraw/zinc/95/47/11/367954711.db2.gz MWPDSJPMODPBCX-ZFWWWQNUSA-N 0 3 296.436 2.002 10 0 CEAEHN C[C@@H](COCc1ccccc1)NCc1cncn1C ZINC000174619881 368049742 /nfs/dbraw/zinc/04/97/42/368049742.db2.gz MVUCFHYNYSJOJG-ZDUSSCGKSA-N 0 3 259.353 2.115 10 0 CEAEHN CCCCO[C@H](C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000176970500 368256222 /nfs/dbraw/zinc/25/62/22/368256222.db2.gz CCVTZZKNIKXHFW-KGLIPLIRSA-N 0 3 270.417 2.134 10 0 CEAEHN CCCCO[C@@H](C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000176970514 368256817 /nfs/dbraw/zinc/25/68/17/368256817.db2.gz CCVTZZKNIKXHFW-UONOGXRCSA-N 0 3 270.417 2.134 10 0 CEAEHN C[C@H](NC(=O)N(C)CCN(C)C)c1ccc(F)c(F)c1 ZINC000176128566 368205442 /nfs/dbraw/zinc/20/54/42/368205442.db2.gz MSHDUBCYYUUNLZ-JTQLQIEISA-N 0 3 285.338 2.229 10 0 CEAEHN CC[C@@H](OC1CCCCC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177549944 368273283 /nfs/dbraw/zinc/27/32/83/368273283.db2.gz RPJKGDKXRPDZQQ-GDBMZVCRSA-N 0 3 294.439 2.421 10 0 CEAEHN CCc1oc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1C ZINC000246078026 370905974 /nfs/dbraw/zinc/90/59/74/370905974.db2.gz ZGVXPZSFHMFXQV-OLZOCXBDSA-N 0 3 276.380 2.459 10 0 CEAEHN C[C@@H](c1ccccn1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000246157660 370916914 /nfs/dbraw/zinc/91/69/14/370916914.db2.gz IHSZQBJEOIDYLR-QWHCGFSZSA-N 0 3 256.353 2.366 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)[C@H](C)OCc2ccccc2)C1 ZINC000185921026 368887681 /nfs/dbraw/zinc/88/76/81/368887681.db2.gz YFDCCJSDHZHEHU-GOEBONIOSA-N 0 3 290.407 2.192 10 0 CEAEHN CCO[C@H]1C[C@H](NCc2ccccn2)C12CCOCC2 ZINC000186197914 368935850 /nfs/dbraw/zinc/93/58/50/368935850.db2.gz GYIOCZKNTPUKQJ-GJZGRUSLSA-N 0 3 276.380 2.145 10 0 CEAEHN CCO[C@@H]1C[C@@H](NCc2c(C)noc2C)C12CCOCC2 ZINC000186275465 368949520 /nfs/dbraw/zinc/94/95/20/368949520.db2.gz QLSXWWXOCUIUCW-HUUCEWRRSA-N 0 3 294.395 2.355 10 0 CEAEHN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)CCC1CC1 ZINC000186388917 368966491 /nfs/dbraw/zinc/96/64/91/368966491.db2.gz UNQHIRBBQSCGRV-WCQYABFASA-N 0 3 278.400 2.428 10 0 CEAEHN C[C@@]1(NCc2cnc(-c3cccnc3)s2)CCOC1 ZINC000225511139 189756030 /nfs/dbraw/zinc/75/60/30/189756030.db2.gz RCDQFNPGVYDFHG-CQSZACIVSA-N 0 3 275.377 2.474 10 0 CEAEHN O=C(c1cccnc1C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000188364411 369344727 /nfs/dbraw/zinc/34/47/27/369344727.db2.gz MHWPOHLEWRGPLN-SNVBAGLBSA-N 0 3 299.296 2.021 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000189170033 369470222 /nfs/dbraw/zinc/47/02/22/369470222.db2.gz JVLMIZXWKULINP-GJZGRUSLSA-N 0 3 285.428 2.053 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCC(C)(C)C(C)C)C1 ZINC000189965860 369583314 /nfs/dbraw/zinc/58/33/14/369583314.db2.gz YFFILCIUAJFHJV-ZDUSSCGKSA-N 0 3 269.433 2.452 10 0 CEAEHN C[C@H]1OCCC[C@H]1C(=O)N(CCN(C)C)C1CCCC1 ZINC000191678824 369732079 /nfs/dbraw/zinc/73/20/79/369732079.db2.gz PCNLCOKMLHYION-UKRRQHHQSA-N 0 3 282.428 2.134 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)C1CC1 ZINC000193304383 369922372 /nfs/dbraw/zinc/92/23/72/369922372.db2.gz MSOFAFLAWUPBFS-WCQYABFASA-N 0 3 255.406 2.060 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCN(C2CCCCC2)CC1 ZINC000193384428 369936371 /nfs/dbraw/zinc/93/63/71/369936371.db2.gz NMFWEESDXKNUQW-KRWDZBQOSA-N 0 3 298.471 2.114 10 0 CEAEHN COCCN1CCN(Cc2ccc(C)c(OC)c2)C[C@H]1C ZINC000193900127 369990145 /nfs/dbraw/zinc/99/01/45/369990145.db2.gz NDYZAMFAFSKBJM-OAHLLOKOSA-N 0 3 292.423 2.156 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1 ZINC000195383948 370127892 /nfs/dbraw/zinc/12/78/92/370127892.db2.gz BYRLWHQNCVADFR-DZGCQCFKSA-N 0 3 290.411 2.268 10 0 CEAEHN CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000637884873 370146497 /nfs/dbraw/zinc/14/64/97/370146497.db2.gz UNBOCBBZBLWSBP-BYCMXARLSA-N 0 3 276.380 2.103 10 0 CEAEHN CC(C)CC[C@@H](N)C(=O)N[C@H](C)COCc1ccccc1 ZINC000638020599 370246494 /nfs/dbraw/zinc/24/64/94/370246494.db2.gz JYHATARTZDVURQ-GDBMZVCRSA-N 0 3 292.423 2.471 10 0 CEAEHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000223176997 370261487 /nfs/dbraw/zinc/26/14/87/370261487.db2.gz YDLPRPJVKXGGTA-ZKYQVNSYSA-N 0 3 282.409 2.173 10 0 CEAEHN CCCCc1noc([C@@H](C)N2CCN3CCC[C@H]3C2)n1 ZINC000246990777 371042263 /nfs/dbraw/zinc/04/22/63/371042263.db2.gz AXUAAGZIGXMDBK-OLZOCXBDSA-N 0 3 278.400 2.253 10 0 CEAEHN CC[C@@H]1CN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCS1 ZINC000247091476 371063476 /nfs/dbraw/zinc/06/34/76/371063476.db2.gz JMQKOCHOFGOOTO-MCIONIFRSA-N 0 3 299.484 2.252 10 0 CEAEHN C[C@H](c1ccc(F)cc1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247772605 371141447 /nfs/dbraw/zinc/14/14/47/371141447.db2.gz PQGRZUMKLXFRGY-MELADBBJSA-N 0 3 280.387 2.274 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)COc2ccc(F)cc2)C1 ZINC000247405073 371103974 /nfs/dbraw/zinc/10/39/74/371103974.db2.gz RIOLAAGYPLMTOO-SWLSCSKDSA-N 0 3 294.370 2.049 10 0 CEAEHN CC[C@H](O)CN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000247575903 371127630 /nfs/dbraw/zinc/12/76/30/371127630.db2.gz HTPBKYGAEGXJAG-NEPJUHHUSA-N 0 3 254.399 2.402 10 0 CEAEHN CN[C@@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000054072922 541841202 /nfs/dbraw/zinc/84/12/02/541841202.db2.gz UEVBJEZPQMRBHJ-BDAKNGLRSA-N 0 3 285.185 2.234 10 0 CEAEHN O[C@H](CN1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000248202976 371170087 /nfs/dbraw/zinc/17/00/87/371170087.db2.gz ZHAJLSZUUJEVGX-USXIJHARSA-N 0 3 293.382 2.486 10 0 CEAEHN CCC[C@@H]1C[C@H](C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CCO1 ZINC000248627368 371225991 /nfs/dbraw/zinc/22/59/91/371225991.db2.gz ZDYTWXXAVWBSPV-ZJIFWQFVSA-N 0 3 294.439 2.277 10 0 CEAEHN COC(CN1CCC[C@H]1C[C@@H](O)c1ccccc1)OC ZINC000248726477 371239858 /nfs/dbraw/zinc/23/98/58/371239858.db2.gz NFTZARVVKIZPOG-LSDHHAIUSA-N 0 3 279.380 2.193 10 0 CEAEHN OC[C@H]1CN(Cc2cccnc2)C[C@@H]1c1ccsc1 ZINC000249527930 371331580 /nfs/dbraw/zinc/33/15/80/371331580.db2.gz AJURISJGVRQKID-HUUCEWRRSA-N 0 3 274.389 2.351 10 0 CEAEHN Cc1ccc(CN2C[C@@H]3CCCCN3C[C@H]2C)cn1 ZINC000250920944 371394615 /nfs/dbraw/zinc/39/46/15/371394615.db2.gz NHAZDPVBZUDWAT-ZBFHGGJFSA-N 0 3 259.397 2.449 10 0 CEAEHN O[C@@]12CCCC[C@H]1CN(Cc1cnc3ccccn13)CC2 ZINC000252653155 371462161 /nfs/dbraw/zinc/46/21/61/371462161.db2.gz RKACTEMXZVYXCD-WMLDXEAASA-N 0 3 285.391 2.461 10 0 CEAEHN CCC(C)(C)NC(=O)CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253104713 371498835 /nfs/dbraw/zinc/49/88/35/371498835.db2.gz ZOUIYFIHGISFEL-RBSFLKMASA-N 0 3 296.455 2.307 10 0 CEAEHN COc1cccc(CN2CCC3(CC[C@@H]3OC)CC2)n1 ZINC000257180132 371602232 /nfs/dbraw/zinc/60/22/32/371602232.db2.gz KEEBPJLQZMDIHP-AWEZNQCLSA-N 0 3 276.380 2.481 10 0 CEAEHN CC(C)(C)[C@H]1CCCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261762117 371723199 /nfs/dbraw/zinc/72/31/99/371723199.db2.gz LVIVNCWNYBLUHG-GJZGRUSLSA-N 0 3 296.455 2.415 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000262701024 371899607 /nfs/dbraw/zinc/89/96/07/371899607.db2.gz HYFUJMMVURWBMM-RWMBFGLXSA-N 0 3 270.417 2.071 10 0 CEAEHN COC[C@@]1(C(=O)Nc2cccc(Cl)c2)CCCN1 ZINC000643614589 373221317 /nfs/dbraw/zinc/22/13/17/373221317.db2.gz DASDUAUAMNOUTR-CYBMUJFWSA-N 0 3 268.744 2.047 10 0 CEAEHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CNCCOC1 ZINC000643620562 373224780 /nfs/dbraw/zinc/22/47/80/373224780.db2.gz AQSONRRQOIPUIO-HOCLYGCPSA-N 0 3 290.407 2.050 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)N1CCS[C@@H](C)C1 ZINC000247189112 220219977 /nfs/dbraw/zinc/21/99/77/220219977.db2.gz LFAGVKYJHJGKTJ-UONOGXRCSA-N 0 3 299.484 2.398 10 0 CEAEHN CC(C)c1nc([C@H]2CCCN(C[C@H]3CCOC3)C2)no1 ZINC000377489439 374864679 /nfs/dbraw/zinc/86/46/79/374864679.db2.gz ADSCTLTWTNIMMQ-OLZOCXBDSA-N 0 3 279.384 2.409 10 0 CEAEHN C[C@H]1[C@@H](O)CCCN1CCOc1ccc(F)cc1 ZINC000384938578 375222936 /nfs/dbraw/zinc/22/29/36/375222936.db2.gz UBYYGJKWWBUPQL-FZMZJTMJSA-N 0 3 253.317 2.050 10 0 CEAEHN Cc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)cc1Cl ZINC000282327637 375457797 /nfs/dbraw/zinc/45/77/97/375457797.db2.gz LKPXAGSYYLIFEU-GWCFXTLKSA-N 0 3 266.772 2.405 10 0 CEAEHN COc1cccc(CNCC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000282180746 375422335 /nfs/dbraw/zinc/42/23/35/375422335.db2.gz JZAQFQXAKQXKMD-RYUDHWBXSA-N 0 3 264.369 2.383 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(F)c(Cl)c1 ZINC000282232112 375433871 /nfs/dbraw/zinc/43/38/71/375433871.db2.gz FPEBXCWQQUVXCG-UFBFGSQYSA-N 0 3 270.735 2.236 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(Cl)cc1 ZINC000282257852 375442511 /nfs/dbraw/zinc/44/25/11/375442511.db2.gz GWUKYLQIQMUHMF-CABZTGNLSA-N 0 3 252.745 2.097 10 0 CEAEHN C[C@H]1NC(=O)CC[C@@H]1NCc1cccc(C(F)F)c1 ZINC000282268435 375443666 /nfs/dbraw/zinc/44/36/66/375443666.db2.gz HMKIADANPLWETF-SKDRFNHKSA-N 0 3 268.307 2.381 10 0 CEAEHN C[C@H](CNCc1cccn1C)N(C)C(=O)OC(C)(C)C ZINC000282913818 375611607 /nfs/dbraw/zinc/61/16/07/375611607.db2.gz VIIUMRJZXUZMHR-GFCCVEGCSA-N 0 3 281.400 2.370 10 0 CEAEHN O=C(c1ccc2c(c1)CNC2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000156712141 296233978 /nfs/dbraw/zinc/23/39/78/296233978.db2.gz FEXNTYZQFGNJBD-HZPDHXFCSA-N 0 3 286.375 2.073 10 0 CEAEHN CCCCOC[C@@H](O)CN1CC(C)(C)OC(C)(C)C1 ZINC000311401759 376668948 /nfs/dbraw/zinc/66/89/48/376668948.db2.gz SSAJQSAIQNLDKB-ZDUSSCGKSA-N 0 3 273.417 2.053 10 0 CEAEHN O[C@@]12CCCC[C@@H]1CN(CCn1cc(Cl)cn1)CC2 ZINC000312899415 376732842 /nfs/dbraw/zinc/73/28/42/376732842.db2.gz LDNYFQDYLJCUMS-TZMCWYRMSA-N 0 3 283.803 2.164 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1C[C@@H](O)c1ccccc1 ZINC000313552808 376749555 /nfs/dbraw/zinc/74/95/55/376749555.db2.gz NJNKXOZYLOKOLR-BHYGNILZSA-N 0 3 274.408 2.279 10 0 CEAEHN CO[C@@H]1C[C@@H](CO)N(Cc2cc(C)nc3ccccc23)C1 ZINC000314678653 376781157 /nfs/dbraw/zinc/78/11/57/376781157.db2.gz ZGOVLYNTGNNPQN-LSDHHAIUSA-N 0 3 286.375 2.125 10 0 CEAEHN COc1cc(F)cc(CNC[C@@H]2CCC[C@@H]2O)c1 ZINC000312567971 249374122 /nfs/dbraw/zinc/37/41/22/249374122.db2.gz YBECDNLLLDDOTN-FZMZJTMJSA-N 0 3 253.317 2.085 10 0 CEAEHN C[C@@H](CN(C)Cc1ccccc1)N[C@H]1CCn2ccnc21 ZINC000293831788 377778843 /nfs/dbraw/zinc/77/88/43/377778843.db2.gz BIAAHLHRDPOEDA-HOCLYGCPSA-N 0 3 284.407 2.438 10 0 CEAEHN CN1CCO[C@@H](CNCc2ccsc2C(F)(F)F)C1 ZINC000527652646 379784969 /nfs/dbraw/zinc/78/49/69/379784969.db2.gz GLDVUAZGNTWYLK-JTQLQIEISA-N 0 3 294.342 2.187 10 0 CEAEHN C[C@H]1C[C@H](O)CN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000334745948 207005854 /nfs/dbraw/zinc/00/58/54/207005854.db2.gz LNWAILVPOJXFSF-BBRMVZONSA-N 0 3 271.364 2.075 10 0 CEAEHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)COCc1ccccc1 ZINC000183045584 542286382 /nfs/dbraw/zinc/28/63/82/542286382.db2.gz FAHUJHWHMCOEDJ-KBPBESRZSA-N 0 3 299.436 2.005 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@@H](C)c2c[nH]nc2C)C12CCOCC2 ZINC000186314540 542308658 /nfs/dbraw/zinc/30/86/58/542308658.db2.gz IXOWLVRIFRPZKS-TUKIKUTGSA-N 0 3 293.411 2.343 10 0 CEAEHN CCOC(=O)CCN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000092825377 184630073 /nfs/dbraw/zinc/63/00/73/184630073.db2.gz IEYXLJMTEYUPCS-JTQLQIEISA-N 0 3 269.316 2.438 10 0 CEAEHN CCN[C@@H](C)[C@H](C)S(=O)(=O)c1cc(F)ccc1F ZINC000081945951 177907190 /nfs/dbraw/zinc/90/71/90/177907190.db2.gz MARVMMYXUPROTK-IUCAKERBSA-N 0 3 277.336 2.125 10 0 CEAEHN CCCN[C@H](C)[C@@H](C)S(=O)(=O)c1ccc(OC)cc1 ZINC000081923164 177896656 /nfs/dbraw/zinc/89/66/56/177896656.db2.gz HCJMETWYJPTGSM-VXGBXAGGSA-N 0 3 285.409 2.246 10 0 CEAEHN COCC1CCN(c2nc([C@H](C)N)cs2)CC1 ZINC000080832151 177713446 /nfs/dbraw/zinc/71/34/46/177713446.db2.gz LAPKWWNZCBULFM-VIFPVBQESA-N 0 3 255.387 2.026 10 0 CEAEHN CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H](N2CCC(C)CC2)C1 ZINC000093822867 184726074 /nfs/dbraw/zinc/72/60/74/184726074.db2.gz MYEGPJYKQRJMLE-DZGCQCFKSA-N 0 3 268.401 2.092 10 0 CEAEHN O=C([O-])[C@@]1(NC2CC2)CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000093748891 184712860 /nfs/dbraw/zinc/71/28/60/184712860.db2.gz KNTHYCSWXWZVGR-GOEBONIOSA-N 0 3 280.412 2.380 10 0 CEAEHN CN[C@]1(C(=O)OC)CCC[C@@H](N2Cc3ccccc3C2)C1 ZINC000093753026 184714025 /nfs/dbraw/zinc/71/40/25/184714025.db2.gz UBTJEVOESZNDGP-NVXWUHKLSA-N 0 3 288.391 2.076 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1)[C@H]1CN(CC)CCO1 ZINC000093915504 184742429 /nfs/dbraw/zinc/74/24/29/184742429.db2.gz TUQXUDKKMABWGU-IAGOWNOFSA-N 0 3 292.423 2.457 10 0 CEAEHN CC[C@@](C)(N)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000094234813 184767337 /nfs/dbraw/zinc/76/73/37/184767337.db2.gz JSDNNAADADRPIT-OAHLLOKOSA-N 0 3 264.344 2.444 10 0 CEAEHN CNCc1cc(F)c(O[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000094346384 184786098 /nfs/dbraw/zinc/78/60/98/184786098.db2.gz RAILBCPFBZIZRR-QWHCGFSZSA-N 0 3 271.307 2.367 10 0 CEAEHN CC(C)(C)NCc1cn([C@@H]2CCOC3(CCC3)C2)nn1 ZINC000094419110 184794963 /nfs/dbraw/zinc/79/49/63/184794963.db2.gz CENPDEDEIABQTP-CYBMUJFWSA-N 0 3 278.400 2.440 10 0 CEAEHN Cc1cc(F)c([C@H](C)NCCN2CCOCC2)cc1F ZINC000094735992 184848874 /nfs/dbraw/zinc/84/88/74/184848874.db2.gz YSUWVKDYMRZNAL-LBPRGKRZSA-N 0 3 284.350 2.256 10 0 CEAEHN Cc1ccn2nc(N[C@@H](CN(C)C)C(C)C)nc2c1 ZINC000094604315 184825010 /nfs/dbraw/zinc/82/50/10/184825010.db2.gz YJSXKXLMAVDLSG-LBPRGKRZSA-N 0 3 261.373 2.036 10 0 CEAEHN CN[C@@H](c1cccnc1)c1cc(OC)cc(OC)c1 ZINC000094650877 184835206 /nfs/dbraw/zinc/83/52/06/184835206.db2.gz NBEWXKXVKNJSJH-HNNXBMFYSA-N 0 3 258.321 2.408 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000262113724 131192201 /nfs/dbraw/zinc/19/22/01/131192201.db2.gz HXAWYVUUTNDCGG-SUHUHFCYSA-N 0 3 282.384 2.155 10 0 CEAEHN Cc1cc([C@H](NC(=O)[C@@H](C)N)C2CC2)ccc1F ZINC000262694654 131251977 /nfs/dbraw/zinc/25/19/77/131251977.db2.gz CJOFIMVAWDSIQE-NOZJJQNGSA-N 0 3 250.317 2.049 10 0 CEAEHN CC[C@H]1CNCCN1c1ccc(C(F)(F)F)cn1 ZINC000083431694 135020972 /nfs/dbraw/zinc/02/09/72/135020972.db2.gz HDDZITNYCLKKKQ-JTQLQIEISA-N 0 3 259.275 2.289 10 0 CEAEHN Cc1ncsc1CNC1CCN(c2ncccn2)CC1 ZINC000088869025 135057763 /nfs/dbraw/zinc/05/77/63/135057763.db2.gz DAUPLOUPOVMPSJ-UHFFFAOYSA-N 0 3 289.408 2.000 10 0 CEAEHN CC(C)(C)NCc1cccc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090907730 135066462 /nfs/dbraw/zinc/06/64/62/135066462.db2.gz JGMVRWGUEOEJAJ-OKILXGFUSA-N 0 3 275.396 2.337 10 0 CEAEHN CC(C)NCc1cncc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000091418823 135069371 /nfs/dbraw/zinc/06/93/71/135069371.db2.gz WXZJKQFPNXTFMP-CHWSQXEVSA-N 0 3 262.401 2.457 10 0 CEAEHN CC[C@](C)(N)C(=O)N1CCSc2ccccc21 ZINC000094236989 135084423 /nfs/dbraw/zinc/08/44/23/135084423.db2.gz LSISMQPCBFBTPD-ZDUSSCGKSA-N 0 3 250.367 2.253 10 0 CEAEHN C[C@H](O)CN1CCN(C/C=C\c2ccc(F)cc2)C[C@H]1C ZINC000299736449 394450834 /nfs/dbraw/zinc/45/08/34/394450834.db2.gz NJMJCYFPCCMBOQ-OVNWPICBSA-N 0 3 292.398 2.226 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1ccc(Cl)cc1OC ZINC000236880279 394488733 /nfs/dbraw/zinc/48/87/33/394488733.db2.gz NQAJABVUPOWJDC-NSHDSACASA-N 0 3 270.760 2.092 10 0 CEAEHN COc1c(C)cnc(CN[C@@H](C)[C@H]2CCCO2)c1C ZINC000035735737 394494113 /nfs/dbraw/zinc/49/41/13/394494113.db2.gz PFRALRBXFSZNRM-GXTWGEPZSA-N 0 3 264.369 2.364 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCc2cccc(F)c2)C1 ZINC000052502484 394557953 /nfs/dbraw/zinc/55/79/53/394557953.db2.gz ZBVKMGFACXEQIG-OAHLLOKOSA-N 0 3 293.386 2.152 10 0 CEAEHN CC(C)(C)c1ncc(CNCC2CC(O)C2)s1 ZINC000091525065 394657707 /nfs/dbraw/zinc/65/77/07/394657707.db2.gz JOKZVOCLQAZGMJ-UHFFFAOYSA-N 0 3 254.399 2.301 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@H](c2ccncc2)[C@H](N)C1 ZINC000096032663 394675337 /nfs/dbraw/zinc/67/53/37/394675337.db2.gz AGHANFLAWQUQJX-CHWSQXEVSA-N 0 3 277.368 2.133 10 0 CEAEHN C[C@@H]1C[C@@H](O)CN(CCCC(=O)c2ccccc2)C1 ZINC000401761651 533673114 /nfs/dbraw/zinc/67/31/14/533673114.db2.gz SHONJMXJJDYJIF-UKRRQHHQSA-N 0 3 261.365 2.352 10 0 CEAEHN CC[C@](C)(O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000123016700 394822105 /nfs/dbraw/zinc/82/21/05/394822105.db2.gz PFBVLEFHYYWBGK-HKMNZKMDSA-N 0 3 288.435 2.478 10 0 CEAEHN CN(C[C@@H](O)CN1CCCC[C@@H]1c1nccs1)C1CC1 ZINC000336836044 394880971 /nfs/dbraw/zinc/88/09/71/394880971.db2.gz KHNNBIKUMXLIQB-ZIAGYGMSSA-N 0 3 295.452 2.125 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Cc2cnc3ccccc3c2)C1 ZINC000130747610 394895271 /nfs/dbraw/zinc/89/52/71/394895271.db2.gz SZOSNZMVMQHOMB-INIZCTEOSA-N 0 3 297.402 2.378 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCS[C@H](C)[C@@H]2C)C1 ZINC000132479198 394931294 /nfs/dbraw/zinc/93/12/94/394931294.db2.gz YOAJVDVMKJYMDH-RQJABVFESA-N 0 3 299.484 2.251 10 0 CEAEHN CCC[C@@H](C(=O)N1CC[C@H](Nc2ccccc2)C1)N(C)C ZINC000161985467 395068475 /nfs/dbraw/zinc/06/84/75/395068475.db2.gz QZADQSGZSTTZTJ-HOTGVXAUSA-N 0 3 289.423 2.430 10 0 CEAEHN CC[C@@](C)(O)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000162051353 395069307 /nfs/dbraw/zinc/06/93/07/395069307.db2.gz OZELFFGQGUMXHK-IAGOWNOFSA-N 0 3 275.392 2.321 10 0 CEAEHN CCc1nc(NC(=O)N2CC[C@H](N(C)C)C2)sc1C ZINC000174357105 395122795 /nfs/dbraw/zinc/12/27/95/395122795.db2.gz GNPQYXZPMPACIT-JTQLQIEISA-N 0 3 282.413 2.182 10 0 CEAEHN CC(C)[C@@H](CO)CN[C@@H](C)c1nc2ccccc2n1C ZINC000348295609 395141078 /nfs/dbraw/zinc/14/10/78/395141078.db2.gz UHIZPQCCVMXWQW-QWHCGFSZSA-N 0 3 275.396 2.488 10 0 CEAEHN COc1ccc([C@H](C)NC[C@@H](O)CSC)cc1OC ZINC000188219803 395312177 /nfs/dbraw/zinc/31/21/77/395312177.db2.gz AXGNLQOUYYOPPF-CMPLNLGQSA-N 0 3 285.409 2.078 10 0 CEAEHN C[C@@H]1C[C@H](C(=O)N2CCO[C@H](CN(C)C)C2)CC(C)(C)C1 ZINC000183821369 395263465 /nfs/dbraw/zinc/26/34/65/395263465.db2.gz KBCPZHQOQCXMLR-QLFBSQMISA-N 0 3 296.455 2.238 10 0 CEAEHN CC(C)CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccs1 ZINC000192941362 395397135 /nfs/dbraw/zinc/39/71/35/395397135.db2.gz GOEUBMFRPHOEOT-QWRGUYRKSA-N 0 3 297.424 2.269 10 0 CEAEHN Cc1nc2ccccc2cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000195324145 395464361 /nfs/dbraw/zinc/46/43/61/395464361.db2.gz DVVDJKKTSOOJFD-HNNXBMFYSA-N 0 3 295.386 2.463 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NC[C@@H]2Cc3ccccc32)C1 ZINC000194169528 395427754 /nfs/dbraw/zinc/42/77/54/395427754.db2.gz KWZOLOKQLWOTHB-LSDHHAIUSA-N 0 3 287.407 2.110 10 0 CEAEHN COc1cccc(NC(=O)CN[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000646093094 396289855 /nfs/dbraw/zinc/28/98/55/396289855.db2.gz ULNMJNQAHFMYHF-NILFDRSVSA-N 0 3 274.364 2.412 10 0 CEAEHN CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1(C)C ZINC000187788700 286305987 /nfs/dbraw/zinc/30/59/87/286305987.db2.gz NIWOHWLRRCEGBA-UMPJEAMMSA-N 0 3 294.439 2.168 10 0 CEAEHN Cc1cnccc1-n1cc(I)cn1 ZINC000070679802 176001375 /nfs/dbraw/zinc/00/13/75/176001375.db2.gz JHAXEFCLWMGKBG-UHFFFAOYSA-N 0 3 285.088 2.180 10 0 CEAEHN c1cn(C[C@@H]2CCCN2Cc2ccc3c(c2)OCCO3)cn1 ZINC000188412369 153054445 /nfs/dbraw/zinc/05/44/45/153054445.db2.gz ZLMAKPPBICKMHW-HNNXBMFYSA-N 0 3 299.374 2.319 10 0 CEAEHN CCn1cc(C2CCN(CCOCC(F)F)CC2)cn1 ZINC000188990002 153078717 /nfs/dbraw/zinc/07/87/17/153078717.db2.gz KTFURSBQRPAYPU-UHFFFAOYSA-N 0 3 287.354 2.364 10 0 CEAEHN C[C@H](NCc1ccc2c(c1)sc(=O)n2C)[C@H]1CCCO1 ZINC000192470074 153208276 /nfs/dbraw/zinc/20/82/76/153208276.db2.gz TXUGZAHJQNEYEM-GXFFZTMASA-N 0 3 292.404 2.257 10 0 CEAEHN C[C@@H](NCCN1C(=O)CCC1=O)c1ccc(Cl)s1 ZINC000193116543 153226789 /nfs/dbraw/zinc/22/67/89/153226789.db2.gz HNTRMMWWGWUXOY-MRVPVSSYSA-N 0 3 286.784 2.201 10 0 CEAEHN Cc1cnn([C@@H]2CCCN(CCO[C@@H]3CCCCO3)C2)c1 ZINC000193051119 153227778 /nfs/dbraw/zinc/22/77/78/153227778.db2.gz JEAITAJENIRMGJ-HZPDHXFCSA-N 0 3 293.411 2.372 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N2CCc3ccccc32)C1 ZINC000194315744 153253397 /nfs/dbraw/zinc/25/33/97/153253397.db2.gz MTJQYFJPUAHYLL-CQSZACIVSA-N 0 3 273.380 2.243 10 0 CEAEHN Cc1[nH]c2ccccc2c1CC(=O)N1CCN2CCC[C@H]2C1 ZINC000195330852 153285973 /nfs/dbraw/zinc/28/59/73/153285973.db2.gz IIAGVFKOENHFHK-AWEZNQCLSA-N 0 3 297.402 2.325 10 0 CEAEHN CCn1cnnc1[C@@H]1CCCN(CCOC(C)(C)C)C1 ZINC000195520315 153293857 /nfs/dbraw/zinc/29/38/57/153293857.db2.gz FTRXAEWCZHROIF-CYBMUJFWSA-N 0 3 280.416 2.293 10 0 CEAEHN Cc1ccccc1[C@@H]1C[C@@H]1c1nc([C@@H]2CNCCN2C)no1 ZINC000263221716 154037594 /nfs/dbraw/zinc/03/75/94/154037594.db2.gz LZTACJUSLGQESE-KKUMJFAQSA-N 0 3 298.390 2.225 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(C2CCCCCC2)n1 ZINC000263229785 154038374 /nfs/dbraw/zinc/03/83/74/154038374.db2.gz NFHZMAXULRIOEM-GFCCVEGCSA-N 0 3 264.373 2.084 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]CC(C(C)C)C(C)C)C1 ZINC000263496722 154105401 /nfs/dbraw/zinc/10/54/01/154105401.db2.gz JVQANAKIPZUWER-UHFFFAOYSA-N 0 3 284.444 2.442 10 0 CEAEHN CC[C@@H]1CCC[C@H]([NH2+]C2CC(N(CC)CC(=O)[O-])C2)C1 ZINC000263494132 154107015 /nfs/dbraw/zinc/10/70/15/154107015.db2.gz JHMKPXWJBFCVBU-DNDYEEKYSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@@H]1CCC[C@H](NC2CC([N@H+](CC)CC(=O)[O-])C2)C1 ZINC000263494132 154107024 /nfs/dbraw/zinc/10/70/24/154107024.db2.gz JHMKPXWJBFCVBU-DNDYEEKYSA-N 0 3 282.428 2.482 10 0 CEAEHN CC[C@@H]1CCC[C@H](NC2CC([N@@H+](CC)CC(=O)[O-])C2)C1 ZINC000263494132 154107029 /nfs/dbraw/zinc/10/70/29/154107029.db2.gz JHMKPXWJBFCVBU-DNDYEEKYSA-N 0 3 282.428 2.482 10 0 CEAEHN CC(C)CCCN1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263517179 154112416 /nfs/dbraw/zinc/11/24/16/154112416.db2.gz PDRHZCFBQHANGU-AWEZNQCLSA-N 0 3 270.417 2.294 10 0 CEAEHN CC(C)CCCN1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263517179 154112420 /nfs/dbraw/zinc/11/24/20/154112420.db2.gz PDRHZCFBQHANGU-AWEZNQCLSA-N 0 3 270.417 2.294 10 0 CEAEHN Cc1cccc2[nH]cc(CC(=O)N3CCN4CCC[C@@H]4C3)c21 ZINC000170894075 162374817 /nfs/dbraw/zinc/37/48/17/162374817.db2.gz BIGZRYLZNONRGO-OAHLLOKOSA-N 0 3 297.402 2.325 10 0 CEAEHN CCOc1cc(C(=O)N2CCN3CCC[C@@H]3C2)ccc1C ZINC000172020179 162396640 /nfs/dbraw/zinc/39/66/40/162396640.db2.gz HANUNCZFJMYZJL-OAHLLOKOSA-N 0 3 288.391 2.314 10 0 CEAEHN O=C(NC[C@@H]1CCc2ccccc21)N1CCN2CCC[C@@H]2C1 ZINC000171909354 165053508 /nfs/dbraw/zinc/05/35/08/165053508.db2.gz TXNXBWXTDRFJTN-JKSUJKDBSA-N 0 3 299.418 2.206 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C)o1)CC2 ZINC000180611439 165315624 /nfs/dbraw/zinc/31/56/24/165315624.db2.gz FFPSXZNKAJJDOV-RYUDHWBXSA-N 0 3 274.368 2.408 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1ccoc1)CC2 ZINC000180623855 165317479 /nfs/dbraw/zinc/31/74/79/165317479.db2.gz YWMZHWZMDWPVPS-ZYHUDNBSSA-N 0 3 260.341 2.099 10 0 CEAEHN COc1ccc([C@H](CN)N(C)CC(C)C)c(OC)c1 ZINC000020226493 171091893 /nfs/dbraw/zinc/09/18/93/171091893.db2.gz NVJPZRFVVLNFAM-AWEZNQCLSA-N 0 3 266.385 2.291 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc([C@@H](CN)N2CCSCC2)o1 ZINC000020257184 171111971 /nfs/dbraw/zinc/11/19/71/171111971.db2.gz OBUUDSORQRPDEU-GRYCIOLGSA-N 0 3 266.410 2.452 10 0 CEAEHN COc1cccc([C@H](N)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000020431195 171196085 /nfs/dbraw/zinc/19/60/85/171196085.db2.gz YPNFIYXMOUAXNG-KRWDZBQOSA-N 0 3 282.343 2.262 10 0 CEAEHN Cc1nn(C)c(Oc2ccc(F)cc2F)c1CN ZINC000020470158 171211293 /nfs/dbraw/zinc/21/12/93/171211293.db2.gz ZZQRQVUYZUXQIV-UHFFFAOYSA-N 0 3 253.252 2.258 10 0 CEAEHN CCN1CCC[C@H]1CN1C(=S)N=NC1C(C)C ZINC000020590098 171261022 /nfs/dbraw/zinc/26/10/22/171261022.db2.gz AJLSKNKBQJVPIL-JTQLQIEISA-N 0 3 254.403 2.175 10 0 CEAEHN CCN(CC)CCc1noc(-c2cccc(N)c2)n1 ZINC000021817518 171333405 /nfs/dbraw/zinc/33/34/05/171333405.db2.gz GQJVXHGCQIXJLV-UHFFFAOYSA-N 0 3 260.341 2.203 10 0 CEAEHN C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)c1cccc(CN)c1 ZINC000022173427 171369500 /nfs/dbraw/zinc/36/95/00/171369500.db2.gz BFQDKNSJDNTJNV-ZOWXZIJZSA-N 0 3 296.436 2.248 10 0 CEAEHN C[C@H](NS(=O)(=O)c1cccc(CN)c1)c1ccccc1 ZINC000022177729 171371424 /nfs/dbraw/zinc/37/14/24/171371424.db2.gz GQMSOUYUOHTPRZ-LBPRGKRZSA-N 0 3 290.388 2.185 10 0 CEAEHN COc1ccccc1OCC(=O)Nc1ccccc1CN ZINC000022221038 171377794 /nfs/dbraw/zinc/37/77/94/171377794.db2.gz LQLUZOPXNOLSMK-UHFFFAOYSA-N 0 3 286.331 2.171 10 0 CEAEHN NCc1cccc(NC(=O)CCCOCC(F)(F)F)c1 ZINC000022223114 171379338 /nfs/dbraw/zinc/37/93/38/171379338.db2.gz BWSLLBAPBYIJHN-UHFFFAOYSA-N 0 3 290.285 2.443 10 0 CEAEHN N[C@H](CN1CCOCC1)c1cccc2ccccc21 ZINC000022565545 171391965 /nfs/dbraw/zinc/39/19/65/171391965.db2.gz SBJIEGZLPHBHPZ-MRXNPFEDSA-N 0 3 256.349 2.172 10 0 CEAEHN CCN(CC(C)C)c1nc2sccn2c1CN ZINC000035430218 172199261 /nfs/dbraw/zinc/19/92/61/172199261.db2.gz IAWWPQLRHZUTPP-UHFFFAOYSA-N 0 3 252.387 2.337 10 0 CEAEHN CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H](c2ccccc2F)C1 ZINC000035571751 172267389 /nfs/dbraw/zinc/26/73/89/172267389.db2.gz WKQFPVZPKMAOHI-DGCLKSJQSA-N 0 3 280.343 2.487 10 0 CEAEHN CCCN[C@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760519 172398245 /nfs/dbraw/zinc/39/82/45/172398245.db2.gz BOTMFKMQMYGFSM-LBPRGKRZSA-N 0 3 253.367 2.295 10 0 CEAEHN COc1cccc(CN)c1OC[C@H]1CCCCO1 ZINC000036230814 172527783 /nfs/dbraw/zinc/52/77/83/172527783.db2.gz WKCGBBUEDBLRFH-GFCCVEGCSA-N 0 3 251.326 2.102 10 0 CEAEHN Cc1cn2c(CN[C@@H]3CCC[C@@H](O)C3)c(C)nc2s1 ZINC000037166156 173000672 /nfs/dbraw/zinc/00/06/72/173000672.db2.gz WSFAAWRERSOHJZ-VXGBXAGGSA-N 0 3 279.409 2.406 10 0 CEAEHN Cc1ccc([C@@H](CN)N2CCOC(C)(C)C2)cc1C ZINC000037180173 173013188 /nfs/dbraw/zinc/01/31/88/173013188.db2.gz KNQVHZJNROAMIH-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN COC1CCN(C[C@H](N)c2ccc(C)c(C)c2)CC1 ZINC000037266110 173076342 /nfs/dbraw/zinc/07/63/42/173076342.db2.gz SEXKXDNDMFGIEN-INIZCTEOSA-N 0 3 262.397 2.414 10 0 CEAEHN Cc1nc2sccn2c1CN[C@H]1CCC[C@@H](O)C1 ZINC000037321075 173122266 /nfs/dbraw/zinc/12/22/66/173122266.db2.gz DMUSPNCTUDJDIB-WDEREUQCSA-N 0 3 265.382 2.097 10 0 CEAEHN CO[C@H]1CN[C@@H](c2nc3cc(Br)ccc3[nH]2)C1 ZINC000037441249 173210810 /nfs/dbraw/zinc/21/08/10/173210810.db2.gz OANIAVVLVXYVSE-LDYMZIIASA-N 0 3 296.168 2.375 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(N(C)CC(=O)[O-])CC1 ZINC000263520748 287283281 /nfs/dbraw/zinc/28/32/81/287283281.db2.gz QUBDPAKUGNIOAB-ZIAGYGMSSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CN1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000263520748 287283284 /nfs/dbraw/zinc/28/32/84/287283284.db2.gz QUBDPAKUGNIOAB-ZIAGYGMSSA-N 0 3 282.428 2.294 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1CN1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000263520748 287283286 /nfs/dbraw/zinc/28/32/86/287283286.db2.gz QUBDPAKUGNIOAB-ZIAGYGMSSA-N 0 3 282.428 2.294 10 0 CEAEHN Nc1cccc2c1CCN(C[C@@H](O)c1ccccc1)C2 ZINC000038032923 174030037 /nfs/dbraw/zinc/03/00/37/174030037.db2.gz DOSQRRHVAVGVDJ-QGZVFWFLSA-N 0 3 268.360 2.361 10 0 CEAEHN C[C@@H]1c2ccsc2CCN1C(=O)C1(N)CCCC1 ZINC000038100933 174116480 /nfs/dbraw/zinc/11/64/80/174116480.db2.gz BNFNOGQLNNTKOZ-SNVBAGLBSA-N 0 3 264.394 2.465 10 0 CEAEHN CCCCN(C(=O)[C@@H](N)CCSC)[C@H](C)CC ZINC000040467543 174275319 /nfs/dbraw/zinc/27/53/19/174275319.db2.gz QJKIXVLJTOMSFH-NEPJUHHUSA-N 0 3 260.447 2.494 10 0 CEAEHN Cc1cc(C)c(CN)c(OCCc2ccccn2)n1 ZINC000040509721 174304028 /nfs/dbraw/zinc/30/40/28/174304028.db2.gz LGNFXZOEDOJRIG-UHFFFAOYSA-N 0 3 257.337 2.174 10 0 CEAEHN COC(=O)[C@@H](C)CN[C@H](C)c1sc(C)nc1C ZINC000040518634 174308096 /nfs/dbraw/zinc/30/80/96/174308096.db2.gz SJIZRMPGQFLILX-JGVFFNPUSA-N 0 3 256.371 2.220 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)[C@@](C)(N)C2CC2)s1 ZINC000040519120 174308785 /nfs/dbraw/zinc/30/87/85/174308785.db2.gz OEQYYMLWZUAYLH-OQPBUACISA-N 0 3 267.398 2.065 10 0 CEAEHN COc1cc2c(cc1OC)[C@]13C[C@@H](O)C=CC1=CCN3CC2 ZINC000040576240 174341759 /nfs/dbraw/zinc/34/17/59/174341759.db2.gz JEBFJSHKHYDVNP-KSSFIOAISA-N 0 3 299.370 2.018 10 0 CEAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000040629902 174357959 /nfs/dbraw/zinc/35/79/59/174357959.db2.gz MRYBSHBHHUISQN-GZMMTYOYSA-N 0 3 288.269 2.021 10 0 CEAEHN CO[C@H]1CN[C@@H](C(=O)Nc2ccccc2OCC(C)C)C1 ZINC000040634344 174360414 /nfs/dbraw/zinc/36/04/14/174360414.db2.gz AATNXALPLWFROP-TZMCWYRMSA-N 0 3 292.379 2.037 10 0 CEAEHN CC[C@@H](C)N[C@H](C(N)=O)c1cccc(OC(C)C)c1 ZINC000040666550 174366498 /nfs/dbraw/zinc/36/64/98/174366498.db2.gz VFMDHZNDAXKHSO-RISCZKNCSA-N 0 3 264.369 2.388 10 0 CEAEHN NNc1ncnc(Oc2cccc3ccccc32)c1N ZINC000040683274 174375418 /nfs/dbraw/zinc/37/54/18/174375418.db2.gz MTCGDVZORNBFCC-UHFFFAOYSA-N 0 3 267.292 2.290 10 0 CEAEHN Cc1nn([C@@H](C)C(=O)Nc2cccc(CN)c2)c(C)c1C ZINC000040729165 174388285 /nfs/dbraw/zinc/38/82/85/174388285.db2.gz YMYPWIDPOWYNKI-ZDUSSCGKSA-N 0 3 286.379 2.467 10 0 CEAEHN Cc1nn([C@@H](C)C(=O)Nc2ccccc2CN)c(C)c1C ZINC000040728948 174388402 /nfs/dbraw/zinc/38/84/02/174388402.db2.gz LXOHMSZZDJIGKG-ZDUSSCGKSA-N 0 3 286.379 2.467 10 0 CEAEHN N[C@H](CC(=O)Nc1ccc(CCO)cc1)c1ccccc1 ZINC000040739205 174390181 /nfs/dbraw/zinc/39/01/81/174390181.db2.gz YWELXJQLUCASMP-MRXNPFEDSA-N 0 3 284.359 2.250 10 0 CEAEHN C[C@H]1C[S@@](=O)c2c(Br)cccc2[C@@H]1N ZINC000040977279 174444983 /nfs/dbraw/zinc/44/49/83/174444983.db2.gz VCEFHKKCQQUNAL-GJANQFNCSA-N 0 3 274.183 2.206 10 0 CEAEHN CC(C)(N)c1cn(Cc2nc3ccccc3s2)nn1 ZINC000070118068 414766214 /nfs/dbraw/zinc/76/62/14/414766214.db2.gz DHZPVJBCXOOSJW-UHFFFAOYSA-N 0 3 273.365 2.130 10 0 CEAEHN CCCCOC[C@H](O)CN1CC(C)(C)OC[C@H]1CC ZINC000403932930 414770753 /nfs/dbraw/zinc/77/07/53/414770753.db2.gz IEBIESJHUHXNEU-ZIAGYGMSSA-N 0 3 273.417 2.053 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@H](OC(C)C)C1 ZINC000404519638 414787039 /nfs/dbraw/zinc/78/70/39/414787039.db2.gz HQXAYMRJCPRSQH-CABCVRRESA-N 0 3 273.417 2.053 10 0 CEAEHN CN(C(=O)c1cc(Cl)ccc1F)[C@@H](CN)C(F)(F)F ZINC000662980118 414816730 /nfs/dbraw/zinc/81/67/30/414816730.db2.gz ZVQJGYGLYMCDCD-VIFPVBQESA-N 0 3 298.667 2.441 10 0 CEAEHN C[C@@H]1CCC[C@@H](C(=O)N(C)[C@H](CN)C(F)(F)F)C1 ZINC000662976517 414816755 /nfs/dbraw/zinc/81/67/55/414816755.db2.gz GALUPSVXRPPYSH-OPRDCNLKSA-N 0 3 266.307 2.161 10 0 CEAEHN CN(C(=O)c1ccccc1Cl)[C@H](CN)C(F)(F)F ZINC000662977558 414817164 /nfs/dbraw/zinc/81/71/64/414817164.db2.gz VWGCHCNMCDGUMD-SECBINFHSA-N 0 3 280.677 2.302 10 0 CEAEHN CC(C)n1ccnc1CNC[C@H]1CCCC[C@H]1O ZINC000657372249 414892553 /nfs/dbraw/zinc/89/25/53/414892553.db2.gz DXGBGNLZHWYZSN-CHWSQXEVSA-N 0 3 251.374 2.105 10 0 CEAEHN CC(C)N(CC1CC1)c1nc2sccn2c1CN ZINC000042588994 174810813 /nfs/dbraw/zinc/81/08/13/174810813.db2.gz GAFQCHMQNMRZPR-UHFFFAOYSA-N 0 3 264.398 2.479 10 0 CEAEHN N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000043299939 175000238 /nfs/dbraw/zinc/00/02/38/175000238.db2.gz ISIAKCXOABRYCN-WRWORJQWSA-N 0 3 294.203 2.428 10 0 CEAEHN CN[C@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300436 175000858 /nfs/dbraw/zinc/00/08/58/175000858.db2.gz RAZZOQBGZGTOBA-CMPLNLGQSA-N 0 3 273.785 2.035 10 0 CEAEHN N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299998 175001216 /nfs/dbraw/zinc/00/12/16/175001216.db2.gz PYOVNOPZZWJWQM-MWLCHTKSSA-N 0 3 293.310 2.140 10 0 CEAEHN CCCN[C@@H](c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000043301221 175002023 /nfs/dbraw/zinc/00/20/23/175002023.db2.gz YHHLZJAZOFEQEU-SWLSCSKDSA-N 0 3 297.420 2.171 10 0 CEAEHN C[C@H](N)[C@@H](c1ccco1)N(C)CCc1ccncc1 ZINC000043335413 175011171 /nfs/dbraw/zinc/01/11/71/175011171.db2.gz HBDIFGLPRKUKLH-WFASDCNBSA-N 0 3 259.353 2.237 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccco1)N1CCOC(C)(C)C1 ZINC000043335311 175011476 /nfs/dbraw/zinc/01/14/76/175011476.db2.gz MASJFWGIAUTZLC-AAEUAGOBSA-N 0 3 252.358 2.169 10 0 CEAEHN NC[C@@H](Sc1nnnn1-c1ccccc1)c1ccco1 ZINC000043338292 175012489 /nfs/dbraw/zinc/01/24/89/175012489.db2.gz OXYWRFWMFIBKHQ-GFCCVEGCSA-N 0 3 287.348 2.047 10 0 CEAEHN NC[C@H](c1ccncc1)N1CCc2sccc2C1 ZINC000043352935 175020309 /nfs/dbraw/zinc/02/03/09/175020309.db2.gz TXHMRUVVRMFRGQ-CYBMUJFWSA-N 0 3 259.378 2.201 10 0 CEAEHN NC[C@@H](c1ccncc1)N1CCC[C@@H]1c1cccnc1 ZINC000043353622 175020808 /nfs/dbraw/zinc/02/08/08/175020808.db2.gz HCPICLHFGWEGCZ-CVEARBPZSA-N 0 3 268.364 2.314 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccc(C)o1)N1CCOC[C@@H]1CC ZINC000043364469 175025617 /nfs/dbraw/zinc/02/56/17/175025617.db2.gz FCCQWQTVNHRKEB-GZBFAFLISA-N 0 3 266.385 2.477 10 0 CEAEHN CN[C@H](CN1CCCC1)c1ccc(OC)cc1OC ZINC000043806962 175108608 /nfs/dbraw/zinc/10/86/08/175108608.db2.gz OQWYVBRBNXETBN-CQSZACIVSA-N 0 3 264.369 2.060 10 0 CEAEHN CN[C@@H](CN1CCOCC1)c1cc2ccccc2o1 ZINC000043808154 175108865 /nfs/dbraw/zinc/10/88/65/175108865.db2.gz YEWVCPULYYNXEZ-ZDUSSCGKSA-N 0 3 260.337 2.026 10 0 CEAEHN CCCN[C@@H](CN1CCOCC1)c1ccccc1OCC ZINC000043808698 175109061 /nfs/dbraw/zinc/10/90/61/175109061.db2.gz NRDUFRQRVMYSGC-INIZCTEOSA-N 0 3 292.423 2.458 10 0 CEAEHN CCN(CC)C[C@@H](NC)c1ccc(OC)c(OC)c1 ZINC000043809041 175109895 /nfs/dbraw/zinc/10/98/95/175109895.db2.gz FCPYDSCRDYAMOH-CYBMUJFWSA-N 0 3 266.385 2.306 10 0 CEAEHN CN[C@H](CN(C)C1CC1)c1ccc(OC)c(OC)c1 ZINC000043822800 175114311 /nfs/dbraw/zinc/11/43/11/175114311.db2.gz JDNPWHNTMJTSBU-CYBMUJFWSA-N 0 3 264.369 2.059 10 0 CEAEHN CCCN[C@@H]1c2ccccc2OC[C@H]1N1CCOC[C@@H]1C ZINC000043891915 175118807 /nfs/dbraw/zinc/11/88/07/175118807.db2.gz GJDCCPWEKXLHBS-YSVLISHTSA-N 0 3 290.407 2.209 10 0 CEAEHN CN[C@@H](CN(C)Cc1ccccn1)c1ccccc1OC ZINC000043894268 175119558 /nfs/dbraw/zinc/11/95/58/175119558.db2.gz AOCZQSSWLPTQOR-INIZCTEOSA-N 0 3 285.391 2.483 10 0 CEAEHN CN[C@H]1c2ccccc2OC[C@@H]1N(C)CC(F)(F)F ZINC000043900809 175122050 /nfs/dbraw/zinc/12/20/50/175122050.db2.gz YDLLVGDDBTVYBR-JQWIXIFHSA-N 0 3 274.286 2.202 10 0 CEAEHN CC[C@@H]1CO[C@H](C)CN1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043913925 175124138 /nfs/dbraw/zinc/12/41/38/175124138.db2.gz FLZNXYOVGBGSLH-SMKXDYDZSA-N 0 3 290.407 2.207 10 0 CEAEHN CCOc1ccc([C@H](CN2CCOCC2(C)C)NC)cc1 ZINC000043916725 175125855 /nfs/dbraw/zinc/12/58/55/175125855.db2.gz BOABBSRYKASDLN-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCO[C@H]1CCCN([C@@H]2COc3ccccc3[C@@H]2NC)C1 ZINC000043971463 175132924 /nfs/dbraw/zinc/13/29/24/175132924.db2.gz YHPBYIRISXMVSG-LXZKKBNFSA-N 0 3 290.407 2.209 10 0 CEAEHN CCCc1ccc([C@H](O)CN(CCOC)CCOC)cc1 ZINC000044177058 175150085 /nfs/dbraw/zinc/15/00/85/175150085.db2.gz SMVHXPHJXXYOJJ-QGZVFWFLSA-N 0 3 295.423 2.267 10 0 CEAEHN CN(C(=O)[C@@H](CN)Cc1ccccc1)C1CCCC1 ZINC000044800437 175255741 /nfs/dbraw/zinc/25/57/41/175255741.db2.gz ZYVXONKFZUNDLX-CQSZACIVSA-N 0 3 260.381 2.205 10 0 CEAEHN C[C@H](CN[C@@H](C)C(=O)Nc1ccccc1)N1CCCCC1 ZINC000044993148 175286535 /nfs/dbraw/zinc/28/65/35/175286535.db2.gz AFXDIRKZPNJINU-CABCVRRESA-N 0 3 289.423 2.478 10 0 CEAEHN CN[C@H](C)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138144 175314821 /nfs/dbraw/zinc/31/48/21/175314821.db2.gz VCVGZIUKYQPSCO-ZWNOBZJWSA-N 0 3 282.409 2.044 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1CCCCCC1)C(=O)[O-] ZINC000045228842 175334435 /nfs/dbraw/zinc/33/44/35/175334435.db2.gz XYVSZBGPQOUYJB-CQSZACIVSA-N 0 3 256.390 2.095 10 0 CEAEHN CCN[C@@](CN(C)CC(C)C)(C(=O)OC)c1ccccc1 ZINC000045263466 175337834 /nfs/dbraw/zinc/33/78/34/175337834.db2.gz KAIWODNOHMZWET-QGZVFWFLSA-N 0 3 292.423 2.252 10 0 CEAEHN CN[C@@](CN(C)[C@@H](C)C1CC1)(C(=O)OC)c1ccccc1 ZINC000045270193 175341912 /nfs/dbraw/zinc/34/19/12/175341912.db2.gz IIJOHJQXZYMISU-SUMWQHHRSA-N 0 3 290.407 2.005 10 0 CEAEHN CCN(C[C@](C)(NC(C)C)C(N)=O)c1cccc(C)c1 ZINC000045273191 175344145 /nfs/dbraw/zinc/34/41/45/175344145.db2.gz KKZHKQDJKDILIY-INIZCTEOSA-N 0 3 277.412 2.063 10 0 CEAEHN CCCCN(CC[C@](C)([NH2+]CC)C(=O)[O-])C1CC1 ZINC000045276300 175346490 /nfs/dbraw/zinc/34/64/90/175346490.db2.gz KLLKCPDZHVIROY-AWEZNQCLSA-N 0 3 256.390 2.094 10 0 CEAEHN CC(C)C[N@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C(C)C ZINC000045280742 175351159 /nfs/dbraw/zinc/35/11/59/175351159.db2.gz DQNDZRJHSFJLHZ-OAHLLOKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CC(C)C[N@@H+](CC[C@@](C)(NC1CC1)C(=O)[O-])C(C)C ZINC000045280742 175351161 /nfs/dbraw/zinc/35/11/61/175351161.db2.gz DQNDZRJHSFJLHZ-OAHLLOKOSA-N 0 3 270.417 2.338 10 0 CEAEHN CCC[NH2+][C@](C)(CCN1CCC(CC)CC1)C(=O)[O-] ZINC000045281418 175351770 /nfs/dbraw/zinc/35/17/70/175351770.db2.gz BAHSXYUJBSBRMQ-OAHLLOKOSA-N 0 3 270.417 2.341 10 0 CEAEHN CCN[C@](C)(CCN1CCC(CC)CC1)C(=O)OCC ZINC000045281453 175353156 /nfs/dbraw/zinc/35/31/56/175353156.db2.gz HQOOVAPNCHDWGL-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCN(C[C@@H](NC(C)C)C(=O)OCC)C(C)C ZINC000045385733 175372250 /nfs/dbraw/zinc/37/22/50/175372250.db2.gz RLMNCKROIPVDGY-CYBMUJFWSA-N 0 3 258.406 2.037 10 0 CEAEHN C[C@@H](NC[C@H]1CC(=O)N(C)C1)c1cccc(F)c1F ZINC000658241642 415273599 /nfs/dbraw/zinc/27/35/99/415273599.db2.gz YNOGDCAQHLEBMY-NXEZZACHSA-N 0 3 268.307 2.094 10 0 CEAEHN C[C@]1(C(=O)N2CCC[C@@H](OC3CCC3)C2)CCCCN1 ZINC000655494615 415304597 /nfs/dbraw/zinc/30/45/97/415304597.db2.gz DUNXDJKTZRMLCX-GDBMZVCRSA-N 0 3 280.412 2.079 10 0 CEAEHN C[C@@H](NC1CC(CO)C1)c1ccc(Br)cn1 ZINC000658352363 415332326 /nfs/dbraw/zinc/33/23/26/415332326.db2.gz FOAIYTKLFSWXHI-FKTRJACZSA-N 0 3 285.185 2.266 10 0 CEAEHN NCc1ccnn1Cc1ccc(Br)s1 ZINC000070708219 176002277 /nfs/dbraw/zinc/00/22/77/176002277.db2.gz UZWQEWHOXRVPNW-UHFFFAOYSA-N 0 3 272.171 2.214 10 0 CEAEHN NCc1ccnn1Cc1ccc(F)c(Br)c1 ZINC000070708248 176002661 /nfs/dbraw/zinc/00/26/61/176002661.db2.gz ORRQNWSNAYFZQI-UHFFFAOYSA-N 0 3 284.132 2.292 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000070824498 176008015 /nfs/dbraw/zinc/00/80/15/176008015.db2.gz ZYWUOOHXBIRLEQ-KCJUWKMLSA-N 0 3 259.136 2.272 10 0 CEAEHN N[C@H]1CCC(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000070824500 176008018 /nfs/dbraw/zinc/00/80/18/176008018.db2.gz ZYWUOOHXBIRLEQ-GZMMTYOYSA-N 0 3 259.136 2.272 10 0 CEAEHN COc1ccc(Cl)c(N2CC[C@@H](NC3CC3)C2=O)c1 ZINC000071031621 176022936 /nfs/dbraw/zinc/02/29/36/176022936.db2.gz WEVOIDZLCRSCDU-GFCCVEGCSA-N 0 3 280.755 2.206 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1Cc1ccc(F)c(F)c1 ZINC000071034463 176024590 /nfs/dbraw/zinc/02/45/90/176024590.db2.gz RMGSPRMELDDXQL-CQSZACIVSA-N 0 3 280.318 2.208 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1Cc1ccc(F)cc1F ZINC000071042061 176028530 /nfs/dbraw/zinc/02/85/30/176028530.db2.gz XRMDJHQCGHKYQX-AWEZNQCLSA-N 0 3 280.318 2.208 10 0 CEAEHN COc1ccc(N2CCC[C@@H](NC3CC3)C2=O)c(C)c1 ZINC000071042635 176028816 /nfs/dbraw/zinc/02/88/16/176028816.db2.gz FAWZKFADMKLYPO-CQSZACIVSA-N 0 3 274.364 2.251 10 0 CEAEHN CC[C@@H](CC1CC1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071043915 176030019 /nfs/dbraw/zinc/03/00/19/176030019.db2.gz UEFZHXQLZBNNGI-UONOGXRCSA-N 0 3 250.386 2.308 10 0 CEAEHN CCC[C@@H](N[C@H]1CCN(C)C1=O)c1cccs1 ZINC000071183727 176059208 /nfs/dbraw/zinc/05/92/08/176059208.db2.gz CPWHIOFFQGLCEK-MNOVXSKESA-N 0 3 252.383 2.410 10 0 CEAEHN C[C@@H](N)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000071209860 176082194 /nfs/dbraw/zinc/08/21/94/176082194.db2.gz DXQHMTDCHBYIHM-MISXGVKJSA-N 0 3 282.409 2.173 10 0 CEAEHN CCN(Cc1ccc(F)cc1C(N)=S)C[C@@H]1CCCO1 ZINC000071265951 176099514 /nfs/dbraw/zinc/09/95/14/176099514.db2.gz OGYCGZXPPLSJRX-ZDUSSCGKSA-N 0 3 296.411 2.461 10 0 CEAEHN C[C@H](Cc1cccs1)NCC(=O)NC(C)(C)C ZINC000071270205 176104017 /nfs/dbraw/zinc/10/40/17/176104017.db2.gz CTMWFEXXYHMUDC-SNVBAGLBSA-N 0 3 254.399 2.183 10 0 CEAEHN COc1ccc([C@@H]2CNC[C@@H](C3CC3)O2)cc1OC ZINC000071308852 176116006 /nfs/dbraw/zinc/11/60/06/176116006.db2.gz QAVZBLLPYGUBNF-GJZGRUSLSA-N 0 3 263.337 2.143 10 0 CEAEHN c1ccc2c(c1)C[C@H](CNC1=NC[C@H](C3CC3)S1)O2 ZINC000071307909 176116139 /nfs/dbraw/zinc/11/61/39/176116139.db2.gz NEQJHVKHBUOITL-TZMCWYRMSA-N 0 3 274.389 2.461 10 0 CEAEHN CCCCOCCNC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335870 176127344 /nfs/dbraw/zinc/12/73/44/176127344.db2.gz OAARNZDRUHPMDO-UHFFFAOYSA-N 0 3 272.389 2.012 10 0 CEAEHN Cc1ccc(OCC(=O)Nc2ccccc2)c(CN)c1 ZINC000071403438 176154628 /nfs/dbraw/zinc/15/46/28/176154628.db2.gz VDWSEDLVKCXQIE-UHFFFAOYSA-N 0 3 270.332 2.471 10 0 CEAEHN Cc1ccc(OCC(=O)NC(C)C)c(CNC(C)C)c1 ZINC000071406671 176156190 /nfs/dbraw/zinc/15/61/90/176156190.db2.gz LGBVXFWOAUFEIP-UHFFFAOYSA-N 0 3 278.396 2.396 10 0 CEAEHN Brc1cccc(CC[C@H]2COCCN2)c1 ZINC000071601292 176228394 /nfs/dbraw/zinc/22/83/94/176228394.db2.gz SIKCRMOQHUNADQ-LBPRGKRZSA-N 0 3 270.170 2.370 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@H](OC)C1CCCCC1 ZINC000662734278 415948478 /nfs/dbraw/zinc/94/84/78/415948478.db2.gz PZIOPCFRWZIQHX-FPMFFAJLSA-N 0 3 270.417 2.071 10 0 CEAEHN CNCC(=O)N[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000076368869 177005976 /nfs/dbraw/zinc/00/59/76/177005976.db2.gz XFPDKLDJHSXKJM-NSHDSACASA-N 0 3 264.369 2.261 10 0 CEAEHN CC(C)CCN(Cc1ccccc1F)C(=O)CN ZINC000076656759 177045745 /nfs/dbraw/zinc/04/57/45/177045745.db2.gz MJJSKGZARGJXEB-UHFFFAOYSA-N 0 3 252.333 2.159 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)COc1ccccc1 ZINC000077729766 177296692 /nfs/dbraw/zinc/29/66/92/177296692.db2.gz YMLBGQNTWOQWMZ-CQSZACIVSA-N 0 3 278.396 2.158 10 0 CEAEHN Cc1nn(C)c(Sc2ncccc2Cl)c1CN ZINC000079445601 177491390 /nfs/dbraw/zinc/49/13/90/177491390.db2.gz USPLEHMQMAFUJT-UHFFFAOYSA-N 0 3 268.773 2.387 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000135894695 419440071 /nfs/dbraw/zinc/44/00/71/419440071.db2.gz LDJGFJGPOPGCBW-GZMMTYOYSA-N 0 3 252.362 2.019 10 0 CEAEHN COCc1nc(CNC[C@@H]2C[C@@H](C)O[C@@H]2C)cs1 ZINC000666429315 419663171 /nfs/dbraw/zinc/66/31/71/419663171.db2.gz PKVCKTHNPNILBB-MXWKQRLJSA-N 0 3 270.398 2.193 10 0 CEAEHN Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cn1 ZINC000029954528 270223907 /nfs/dbraw/zinc/22/39/07/270223907.db2.gz WRMVSBPFIIDEHW-MRXNPFEDSA-N 0 3 283.375 2.423 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1cccc(C(F)(F)F)c1 ZINC000392906072 270341701 /nfs/dbraw/zinc/34/17/01/270341701.db2.gz RNJPJHHULWDXAS-JOYOIKCWSA-N 0 3 286.297 2.462 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC000248482327 276178392 /nfs/dbraw/zinc/17/83/92/276178392.db2.gz UAFMJWYOXZNCCI-GZBFAFLISA-N 0 3 252.402 2.269 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccnc1Cl ZINC000092627371 276181924 /nfs/dbraw/zinc/18/19/24/276181924.db2.gz NWINNLJRARTLRU-NSHDSACASA-N 0 3 281.787 2.291 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000177696255 276377533 /nfs/dbraw/zinc/37/75/33/276377533.db2.gz SEECWBMAQFLXDA-HOCLYGCPSA-N 0 3 295.471 2.240 10 0 CEAEHN CC(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NC(N)=O)cc1 ZINC000048433734 278049094 /nfs/dbraw/zinc/04/90/94/278049094.db2.gz RIRRMEOGOBWDHW-QWRGUYRKSA-N 0 3 277.368 2.044 10 0 CEAEHN CCC[C@](C)(N)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000262592807 278966409 /nfs/dbraw/zinc/96/64/09/278966409.db2.gz VIDDWDBGAXYQDW-ZOWXZIJZSA-N 0 3 270.417 2.214 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CCc2c1cccc2F ZINC000282048626 279027309 /nfs/dbraw/zinc/02/73/09/279027309.db2.gz AYCGAHJMUKLUJR-HERUPUMHSA-N 0 3 262.328 2.070 10 0 CEAEHN CCN1CCC[C@H]1CN(C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000245473580 279327181 /nfs/dbraw/zinc/32/71/81/279327181.db2.gz QBKAFSCIUILPQX-CVEARBPZSA-N 0 3 297.487 2.296 10 0 CEAEHN CC[C@H](SC)C(=O)N1C[C@@H]2CCCN2C[C@@H]1CC ZINC000246081079 288146241 /nfs/dbraw/zinc/14/62/41/288146241.db2.gz GEGALWRGXIKEGG-AVGNSLFASA-N 0 3 270.442 2.213 10 0 CEAEHN CCC[C@@H](CC)NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000195394211 280203723 /nfs/dbraw/zinc/20/37/23/280203723.db2.gz IBMFJEKKDKCJQL-CHWSQXEVSA-N 0 3 255.406 2.349 10 0 CEAEHN CCC[C@H](C)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000245648537 280254915 /nfs/dbraw/zinc/25/49/15/280254915.db2.gz GLYLZJMUAKLTIA-UONOGXRCSA-N 0 3 251.374 2.020 10 0 CEAEHN C[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccccc1F ZINC000246235504 280282315 /nfs/dbraw/zinc/28/23/15/280282315.db2.gz HUGRXOWECVQXLI-STQMWFEESA-N 0 3 276.355 2.236 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2[C@H](C)CC[C@H]2C)C1 ZINC000246309503 280286673 /nfs/dbraw/zinc/28/66/73/280286673.db2.gz DTUJKXRJCZACAO-UPJWGTAASA-N 0 3 253.390 2.053 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC000247406815 280328530 /nfs/dbraw/zinc/32/85/30/280328530.db2.gz RLGYMIJNHVDNRM-XJKSGUPXSA-N 0 3 285.391 2.398 10 0 CEAEHN CC/C=C/CCN1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000248632561 280356059 /nfs/dbraw/zinc/35/60/59/280356059.db2.gz SRLFQCYCRUFXBZ-KXLSMFKISA-N 0 3 254.418 2.120 10 0 CEAEHN CCCCOC[C@H](O)CN1CCS[C@@H](C(C)C)C1 ZINC000248646905 280357101 /nfs/dbraw/zinc/35/71/01/280357101.db2.gz HYGWHVMLUOUMSP-ZIAGYGMSSA-N 0 3 275.458 2.237 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)[C@H](C)c1ccncc1 ZINC000248650304 280357481 /nfs/dbraw/zinc/35/74/81/280357481.db2.gz LYYCQGMQFHAGKB-HIFRSBDPSA-N 0 3 266.385 2.252 10 0 CEAEHN CCc1ccccc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249081422 280382618 /nfs/dbraw/zinc/38/26/18/280382618.db2.gz ADWCUVHUZLVZPT-GJZGRUSLSA-N 0 3 276.424 2.136 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000255423908 280495766 /nfs/dbraw/zinc/49/57/66/280495766.db2.gz XWXQIEWGGKWBRR-ZPIQOJFGSA-N 0 3 295.386 2.411 10 0 CEAEHN CC[C@H](N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000036871078 280875940 /nfs/dbraw/zinc/87/59/40/280875940.db2.gz MICIWSJWRKYDNE-JNRDSBMFSA-N 0 3 264.413 2.445 10 0 CEAEHN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CNC)o1 ZINC000193131571 281432258 /nfs/dbraw/zinc/43/22/58/281432258.db2.gz VWOZGVOJDKBURZ-WCQYABFASA-N 0 3 264.369 2.361 10 0 CEAEHN CC(=O)N[C@@H]1CCCN(Cc2ccc(C)s2)C1 ZINC000153848191 289125060 /nfs/dbraw/zinc/12/50/60/289125060.db2.gz MQTOCHISEGOLLR-GFCCVEGCSA-N 0 3 252.383 2.157 10 0 CEAEHN COc1cccc(OCCN2CCN3CCCC[C@@H]3C2)c1 ZINC000157556581 289216758 /nfs/dbraw/zinc/21/67/58/289216758.db2.gz MGSMLAFSMRXJGH-OAHLLOKOSA-N 0 3 290.407 2.244 10 0 CEAEHN Cc1nc2cc(NC(=O)N3CC[C@H](N(C)C)C3)ccc2o1 ZINC000159196257 289248418 /nfs/dbraw/zinc/24/84/18/289248418.db2.gz IJKBGKWFJUGDDP-LBPRGKRZSA-N 0 3 288.351 2.304 10 0 CEAEHN Cc1c(CN[C@@]2(C)CCN(Cc3ccccc3)C2)cnn1C ZINC000406025963 289293316 /nfs/dbraw/zinc/29/33/16/289293316.db2.gz HHZZSXPYXGFQKF-SFHVURJKSA-N 0 3 298.434 2.483 10 0 CEAEHN NC1(C(=O)NCC23CC4CC(CC(C4)C2)C3)CCC1 ZINC000148124471 295202924 /nfs/dbraw/zinc/20/29/24/295202924.db2.gz GFEQLSTZIDDIIO-UHFFFAOYSA-N 0 3 262.397 2.200 10 0 CEAEHN CCN(CC)c1ncc(CN[C@@H]2CCN(CC)C2)s1 ZINC000389584422 321891659 /nfs/dbraw/zinc/89/16/59/321891659.db2.gz YSDPTZFKHUWRLX-GFCCVEGCSA-N 0 3 282.457 2.173 10 0 CEAEHN CC1CCN([C@@H]2CNC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536961277 330384335 /nfs/dbraw/zinc/38/43/35/330384335.db2.gz YSCMBBGJKBYAOV-KBPBESRZSA-N 0 3 282.428 2.038 10 0 CEAEHN CC(C)NCc1cc(CN2CCC(C)CC2)on1 ZINC000052376999 519726345 /nfs/dbraw/zinc/72/63/45/519726345.db2.gz HHASGHGBJMSPHB-UHFFFAOYSA-N 0 3 251.374 2.405 10 0 CEAEHN CCNCc1nc(CN(CCN(C)C)CC(C)C)cs1 ZINC000052503235 520019853 /nfs/dbraw/zinc/01/98/53/520019853.db2.gz VGRXRKGKVCXKAF-UHFFFAOYSA-N 0 3 298.500 2.272 10 0 CEAEHN CCC[NH2+][C@@](C)(C[C@H](C)N(CC1CC1)C1CC1)C(=O)[O-] ZINC000068648336 520045833 /nfs/dbraw/zinc/04/58/33/520045833.db2.gz ZXEIXMHJUOVVOB-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCN[C@@](C)(C[C@H](C)[N@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648336 520045842 /nfs/dbraw/zinc/04/58/42/520045842.db2.gz ZXEIXMHJUOVVOB-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCN[C@@](C)(C[C@H](C)[N@@H+](CC1CC1)C1CC1)C(=O)[O-] ZINC000068648336 520045853 /nfs/dbraw/zinc/04/58/53/520045853.db2.gz ZXEIXMHJUOVVOB-LRDDRELGSA-N 0 3 282.428 2.482 10 0 CEAEHN CCCN[C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460996 520075111 /nfs/dbraw/zinc/07/51/11/520075111.db2.gz CTLAMELLDMYVPN-HUUCEWRRSA-N 0 3 282.428 2.484 10 0 CEAEHN CCCN[C@H](CC[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000062460996 520075124 /nfs/dbraw/zinc/07/51/24/520075124.db2.gz CTLAMELLDMYVPN-HUUCEWRRSA-N 0 3 282.428 2.484 10 0 CEAEHN CCOC[C@@H](O)COc1ccc(Cl)cc1[C@@H](C)NC ZINC000069275804 520106328 /nfs/dbraw/zinc/10/63/28/520106328.db2.gz RVRKBAYDCGAVHU-ZYHUDNBSSA-N 0 3 287.787 2.397 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1cc(C)ccc1C)C(N)=O ZINC000068655938 520147481 /nfs/dbraw/zinc/14/74/81/520147481.db2.gz HAAGUDBMKAIQSA-BBRMVZONSA-N 0 3 278.396 2.314 10 0 CEAEHN CCN[C@H](C)c1cc(Cl)ccc1OC[C@H](O)COC ZINC000069053763 520176117 /nfs/dbraw/zinc/17/61/17/520176117.db2.gz HVTDVFDRWFXNDI-ZYHUDNBSSA-N 0 3 287.787 2.397 10 0 CEAEHN CCN[C@H](c1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000050544506 520207449 /nfs/dbraw/zinc/20/74/49/520207449.db2.gz TUNCEZTUBUHFJC-GXTWGEPZSA-N 0 3 285.384 2.219 10 0 CEAEHN CCNc1cc(CN(CC)[C@@H](C)COC)ccn1 ZINC000052724127 520271523 /nfs/dbraw/zinc/27/15/23/520271523.db2.gz QHFLQBDDXVDCTJ-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN CCCCN(C)C[C@@](NCCC)(C(=O)OC)C1CC1 ZINC000069088812 520414391 /nfs/dbraw/zinc/41/43/91/520414391.db2.gz MYELXNBVUUUBAF-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN(CC1CC1)[C@H]1COc2ccccc2[C@@H]1NC ZINC000069238058 520970515 /nfs/dbraw/zinc/97/05/15/520970515.db2.gz GDYUKYGQGHMRCL-HOCLYGCPSA-N 0 3 260.381 2.440 10 0 CEAEHN CCOC(=O)[C@@H](CN1CCCC(C)(C)C1)NC(C)C ZINC000069516577 521064352 /nfs/dbraw/zinc/06/43/52/521064352.db2.gz WDPOKXWBRCMQSJ-CYBMUJFWSA-N 0 3 270.417 2.038 10 0 CEAEHN CCOC(=O)[C@](CN1[C@@H](C)CCC[C@@H]1C)(NC)C1CC1 ZINC000069096136 521338762 /nfs/dbraw/zinc/33/87/62/521338762.db2.gz PXRBAFLYZROTOH-HEHGZKQESA-N 0 3 282.428 2.181 10 0 CEAEHN CCOc1cccc(CNC)c1OC[C@H](O)C(F)(F)F ZINC000068876303 521358948 /nfs/dbraw/zinc/35/89/48/521358948.db2.gz MUWWHMCIFKPWAN-NSHDSACASA-N 0 3 293.285 2.107 10 0 CEAEHN CCCc1nc(N2CCOC[C@H]2CC)sc1CNC ZINC000054997941 521533661 /nfs/dbraw/zinc/53/36/61/521533661.db2.gz YUYPZHCKIBAFBE-LLVKDONJSA-N 0 3 283.441 2.430 10 0 CEAEHN COC[C@@H](C)N(C)Cc1ccc(CNCC(C)C)o1 ZINC000052511520 522221300 /nfs/dbraw/zinc/22/13/00/522221300.db2.gz IYXJILUWEAQOHV-CYBMUJFWSA-N 0 3 268.401 2.492 10 0 CEAEHN CN[C@H](Cc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000050542654 522475106 /nfs/dbraw/zinc/47/51/06/522475106.db2.gz NASSRVZKICTLKT-CYBMUJFWSA-N 0 3 251.280 2.202 10 0 CEAEHN CCC(CC)([C@H](NN)c1cc(OC)ccc1OC)N(C)C ZINC000097586574 517535059 /nfs/dbraw/zinc/53/50/59/517535059.db2.gz AHJQDPIFTUGUMM-OAHLLOKOSA-N 0 3 295.427 2.329 10 0 CEAEHN CC(C)N[C@H](CCOc1ccc(C(C)C)cc1)C(N)=O ZINC000062547946 519738595 /nfs/dbraw/zinc/73/85/95/519738595.db2.gz SRIANYGTXCKJBK-OAHLLOKOSA-N 0 3 278.396 2.431 10 0 CEAEHN CC(C)CNCc1cn(CCO[C@H](C)CC(C)C)nn1 ZINC000052603569 519748469 /nfs/dbraw/zinc/74/84/69/519748469.db2.gz MXUWUKPIBVOZPU-CQSZACIVSA-N 0 3 282.432 2.475 10 0 CEAEHN CC(C)CNCc1nnnn1-c1ccccc1C(F)(F)F ZINC000054744811 519748822 /nfs/dbraw/zinc/74/88/22/519748822.db2.gz UIXALOMPZDDKFM-UHFFFAOYSA-N 0 3 299.300 2.427 10 0 CEAEHN CCCn1nccc1[C@@H](N)Cc1csc(C)n1 ZINC000069472254 519891965 /nfs/dbraw/zinc/89/19/65/519891965.db2.gz WPWOQFAZFJXFBB-NSHDSACASA-N 0 3 250.371 2.301 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)NC ZINC000062746475 519893683 /nfs/dbraw/zinc/89/36/83/519893683.db2.gz HDKRVPSTJIFSEV-MNOVXSKESA-N 0 3 282.359 2.400 10 0 CEAEHN CCCNC(=O)c1ccccc1NC(=O)C(C)(C)NCC ZINC000061287993 519904841 /nfs/dbraw/zinc/90/48/41/519904841.db2.gz OYULDVKWHQHMKM-UHFFFAOYSA-N 0 3 291.395 2.153 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000061293135 519906518 /nfs/dbraw/zinc/90/65/18/519906518.db2.gz FFTPRALOALQPCF-UHFFFAOYSA-N 0 3 277.368 2.280 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(-c2nnco2)cc1C ZINC000061293129 519906833 /nfs/dbraw/zinc/90/68/33/519906833.db2.gz FZFFYJHDVNZBMT-UHFFFAOYSA-N 0 3 288.351 2.372 10 0 CEAEHN CCCNCc1nccn1Cc1ccc(C(=O)OC)cc1 ZINC000051005200 519966906 /nfs/dbraw/zinc/96/69/06/519966906.db2.gz JNSOYAUBOLFVKG-UHFFFAOYSA-N 0 3 287.363 2.218 10 0 CEAEHN CCCNCc1occc1CN(C)[C@@H](C)COC ZINC000052511564 519972408 /nfs/dbraw/zinc/97/24/08/519972408.db2.gz AUKNKZPYUZQWNZ-LBPRGKRZSA-N 0 3 254.374 2.246 10 0 CEAEHN CCNCc1cc(CN2C[C@@H](C)O[C@H](C)C2)oc1C ZINC000052380324 519991165 /nfs/dbraw/zinc/99/11/65/519991165.db2.gz DSIIEOVBLKFREN-VXGBXAGGSA-N 0 3 266.385 2.307 10 0 CEAEHN CCNCc1cn(CCN2CCC[C@H]3CCCC[C@@H]32)nn1 ZINC000052482554 520012514 /nfs/dbraw/zinc/01/25/14/520012514.db2.gz STGHTZZWOUBURA-ZBFHGGJFSA-N 0 3 291.443 2.042 10 0 CEAEHN CCCN[C@@H](c1cc(OC)ccc1OC)[C@H]1COCCO1 ZINC000055300459 520015191 /nfs/dbraw/zinc/01/51/91/520015191.db2.gz UKQLMPRUAMNGLG-CVEARBPZSA-N 0 3 295.379 2.160 10 0 CEAEHN CCCN[C@@H](c1cc(OC)ccc1OC)[C@@H]1COCCO1 ZINC000055300456 520015297 /nfs/dbraw/zinc/01/52/97/520015297.db2.gz UKQLMPRUAMNGLG-HOTGVXAUSA-N 0 3 295.379 2.160 10 0 CEAEHN CCCN[C@@H]1CCN(c2cnc3ccccc3c2)C1=O ZINC000055142135 520024374 /nfs/dbraw/zinc/02/43/74/520024374.db2.gz BDPWSTGQTJENCB-OAHLLOKOSA-N 0 3 269.348 2.340 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCc3cnn(C)c3)ccc21 ZINC000062805065 520026411 /nfs/dbraw/zinc/02/64/11/520026411.db2.gz RUBPGWBODFWNGG-OAHLLOKOSA-N 0 3 287.363 2.432 10 0 CEAEHN CCN[C@@H](C)c1cc(Cl)ccc1OCC(=O)NC ZINC000050210120 520073969 /nfs/dbraw/zinc/07/39/69/520073969.db2.gz YSWOTVVPUIKGKS-VIFPVBQESA-N 0 3 270.760 2.135 10 0 CEAEHN CCN[C@@H](C)c1ccc(F)cc1OCC(=O)N1CCCC1 ZINC000062747072 520075158 /nfs/dbraw/zinc/07/51/58/520075158.db2.gz SDPUFBNZQBZQIG-LBPRGKRZSA-N 0 3 294.370 2.497 10 0 CEAEHN CCCN[C@H](CS(C)(=O)=O)c1cccc(C)c1 ZINC000052789190 520084779 /nfs/dbraw/zinc/08/47/79/520084779.db2.gz VDOKJOGSNXVWJA-CYBMUJFWSA-N 0 3 255.383 2.080 10 0 CEAEHN CCN[C@@H](Cc1csc(C)n1)c1cnn(C)c1 ZINC000055295632 520105671 /nfs/dbraw/zinc/10/56/71/520105671.db2.gz XDWFFZGDVIJHCH-LBPRGKRZSA-N 0 3 250.371 2.078 10 0 CEAEHN CCN[C@@H](c1ccc2[nH]c(=O)oc2c1)[C@H]1CCCCO1 ZINC000050962216 520111618 /nfs/dbraw/zinc/11/16/18/520111618.db2.gz WQLYJWHGZSWJRI-OCCSQVGLSA-N 0 3 276.336 2.341 10 0 CEAEHN CCCN[C@](CO[C@H]1CCCC[C@@H]1C)(C(N)=O)C1CC1 ZINC000069196126 520124536 /nfs/dbraw/zinc/12/45/36/520124536.db2.gz RJWUOTDDKROIAB-NOLJZWGESA-N 0 3 282.428 2.215 10 0 CEAEHN CCN[C@H](C)c1cnc(N2CCN(C(C)C)CC2)s1 ZINC000054903696 520181409 /nfs/dbraw/zinc/18/14/09/520181409.db2.gz ZFNUGNZVXIOBDV-GFCCVEGCSA-N 0 3 282.457 2.344 10 0 CEAEHN CCN[C@H](CCSc1nc2ccccc2s1)C(N)=O ZINC000062597763 520194366 /nfs/dbraw/zinc/19/43/66/520194366.db2.gz HPIRFSNSYADZMU-SNVBAGLBSA-N 0 3 295.433 2.242 10 0 CEAEHN CCN[C@H](CCSc1cccc(Cl)c1)C(N)=O ZINC000062603360 520195125 /nfs/dbraw/zinc/19/51/25/520195125.db2.gz GAZUAAMZMWQVRU-LLVKDONJSA-N 0 3 272.801 2.286 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1ccc(CC)cc1)C(N)=O ZINC000068655641 520236483 /nfs/dbraw/zinc/23/64/83/520236483.db2.gz QZDHWDAQSUIGPJ-MLGOLLRUSA-N 0 3 278.396 2.260 10 0 CEAEHN CCN[C@](C)(C[C@H](C)[NH+](CC1CC1)CC1CC1)C(=O)[O-] ZINC000068647962 520240563 /nfs/dbraw/zinc/24/05/63/520240563.db2.gz QISDOWIHTRYOSK-BLLLJJGKSA-N 0 3 282.428 2.340 10 0 CEAEHN CCN[C@](C)(C[C@H](C)Oc1cccc(CC)c1)C(N)=O ZINC000068654365 520241529 /nfs/dbraw/zinc/24/15/29/520241529.db2.gz RWELAHOQDPTQQV-BLLLJJGKSA-N 0 3 278.396 2.260 10 0 CEAEHN CCNc1ccc(C(=O)N[C@H](CC(C)C)CN(C)C)cn1 ZINC000050777057 520292587 /nfs/dbraw/zinc/29/25/87/520292587.db2.gz MXRICKWYYWMNGC-CQSZACIVSA-N 0 3 292.427 2.220 10 0 CEAEHN CCCOc1ccc([C@@H](NCC(C)C)C(N)=O)cc1 ZINC000052920237 520417973 /nfs/dbraw/zinc/41/79/73/520417973.db2.gz AGDVUYVBHPACAV-CQSZACIVSA-N 0 3 264.369 2.247 10 0 CEAEHN CCCCN(CC)C[C@](NCCC)(C(=O)OC)C1CC1 ZINC000069090142 520479623 /nfs/dbraw/zinc/47/96/23/520479623.db2.gz BIVVPHOBZXNDMW-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CC1(C)CN(c2ncc(CNC3CC3)s2)CCO1 ZINC000054904515 520497566 /nfs/dbraw/zinc/49/75/66/520497566.db2.gz HIICXJNTUHFCIT-UHFFFAOYSA-N 0 3 267.398 2.010 10 0 CEAEHN CC1(C)COCCN1[C@H](CN)c1cc(F)c(F)c(F)c1 ZINC000062710587 520506951 /nfs/dbraw/zinc/50/69/51/520506951.db2.gz CPONXHAUSXFWLG-GFCCVEGCSA-N 0 3 288.313 2.215 10 0 CEAEHN CCN(CC)C(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)N ZINC000062745768 520521955 /nfs/dbraw/zinc/52/19/55/520521955.db2.gz HLFSLSCXRQYVEJ-GHMZBOCLSA-N 0 3 282.359 2.481 10 0 CEAEHN CCCCNC(=O)COc1ccc2c(c1)OC[C@H]2NCC ZINC000062804592 520623811 /nfs/dbraw/zinc/62/38/11/520623811.db2.gz NWHNLKKAZYLPHB-CQSZACIVSA-N 0 3 292.379 2.025 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1cccc(COCC)c1 ZINC000157756210 521119168 /nfs/dbraw/zinc/11/91/68/521119168.db2.gz XMDNMGPNGGDMQP-ZDUSSCGKSA-N 0 3 250.342 2.289 10 0 CEAEHN CCOC(=O)[C@@](C)(N)CCCN1Cc2ccccc2C1 ZINC000050912260 521154990 /nfs/dbraw/zinc/15/49/90/521154990.db2.gz VUYMIEXBNWFPOX-INIZCTEOSA-N 0 3 276.380 2.063 10 0 CEAEHN CCOC(=O)[C@@](CN(C)CC(C)(C)C)(NC1CC1)C1CC1 ZINC000069132517 521165008 /nfs/dbraw/zinc/16/50/08/521165008.db2.gz DAYIGUHBKGHFCN-KRWDZBQOSA-N 0 3 296.455 2.428 10 0 CEAEHN CCOC(=O)[C@H](CCN1CCC(C)(C)CC1)NC(C)C ZINC000062532967 521243390 /nfs/dbraw/zinc/24/33/90/521243390.db2.gz GMJVDVMJRVVTGJ-AWEZNQCLSA-N 0 3 284.444 2.428 10 0 CEAEHN CCOC(=O)[C@](CN(C)C[C@@H]1C[C@@H]1C)(NC(C)C)C1CC1 ZINC000069233510 521336923 /nfs/dbraw/zinc/33/69/23/521336923.db2.gz LFIWANCBBKYSLS-GRDNDAEWSA-N 0 3 296.455 2.284 10 0 CEAEHN CCCc1nc(N2CCCC2)sc1CNCCOC ZINC000054995136 521530608 /nfs/dbraw/zinc/53/06/08/521530608.db2.gz USQQPLKJBSGOFJ-UHFFFAOYSA-N 0 3 283.441 2.432 10 0 CEAEHN CCC(CC)N(CCOC)Cc1csc(CN)n1 ZINC000052573352 521562368 /nfs/dbraw/zinc/56/23/68/521562368.db2.gz LEEVFJKWBXHKED-UHFFFAOYSA-N 0 3 271.430 2.239 10 0 CEAEHN CCCc1noc(Cn2ccnc2CNC(C)(C)C)n1 ZINC000051015259 521591264 /nfs/dbraw/zinc/59/12/64/521591264.db2.gz DYZBANPJOANVPJ-UHFFFAOYSA-N 0 3 277.372 2.155 10 0 CEAEHN CCS(=O)(=O)CCN[C@H](c1cccs1)C(C)C ZINC000049556199 521643999 /nfs/dbraw/zinc/64/39/99/521643999.db2.gz BKGDLOKIEODMQU-LBPRGKRZSA-N 0 3 275.439 2.470 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547332 521837228 /nfs/dbraw/zinc/83/72/28/521837228.db2.gz BIXKEZSHUJBKNF-OPQQBVKSSA-N 0 3 250.342 2.052 10 0 CEAEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1N ZINC000061641655 521863637 /nfs/dbraw/zinc/86/36/37/521863637.db2.gz WIBBJZNCLAIKCZ-LLVKDONJSA-N 0 3 281.787 2.088 10 0 CEAEHN CN(C)C[C@H]1CCCN1CC(=O)c1ccc(F)c(F)c1 ZINC000061645715 521865636 /nfs/dbraw/zinc/86/56/36/521865636.db2.gz PZKHETWVRCNSTM-GFCCVEGCSA-N 0 3 282.334 2.174 10 0 CEAEHN CCc1ccccc1NC(=O)c1ccnc(NN)c1 ZINC000051112178 521906437 /nfs/dbraw/zinc/90/64/37/521906437.db2.gz GETYJTSGEPQOOB-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CCc1ccccc1NC(=O)c1cc[nH]c(=NN)c1 ZINC000051112178 521906441 /nfs/dbraw/zinc/90/64/41/521906441.db2.gz GETYJTSGEPQOOB-UHFFFAOYSA-N 0 3 256.309 2.182 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000061316447 521943571 /nfs/dbraw/zinc/94/35/71/521943571.db2.gz SDBCJFLRIQAOEC-UHFFFAOYSA-N 0 3 288.294 2.233 10 0 CEAEHN CNC(C)(C)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000061316708 521943613 /nfs/dbraw/zinc/94/36/13/521943613.db2.gz YVJXKUXJXFELII-UHFFFAOYSA-N 0 3 276.258 2.364 10 0 CEAEHN CNCc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)oc1C ZINC000052573095 522107321 /nfs/dbraw/zinc/10/73/21/522107321.db2.gz MWJMBZHZVRAMMU-JKSUJKDBSA-N 0 3 278.396 2.451 10 0 CEAEHN CNCc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000052573225 522107460 /nfs/dbraw/zinc/10/74/60/522107460.db2.gz AAPKNQJPLMVALH-JKSUJKDBSA-N 0 3 278.396 2.451 10 0 CEAEHN CC[C@@H](C)N1CCN(c2ccc(N)c(OC(C)C)n2)CC1 ZINC000055066392 522133687 /nfs/dbraw/zinc/13/36/87/522133687.db2.gz GMNKBZZPTZRMHD-CYBMUJFWSA-N 0 3 292.427 2.372 10 0 CEAEHN CN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)NC(C)C ZINC000062746493 522331901 /nfs/dbraw/zinc/33/19/01/522331901.db2.gz DAKVXMDTIRDYNR-QWRGUYRKSA-N 0 3 282.359 2.398 10 0 CEAEHN CCc1nc(CN[C@H](CN(C)C)C(C)C)cs1 ZINC000049591364 522354802 /nfs/dbraw/zinc/35/48/02/522354802.db2.gz LWFHWJJDRKJRMW-GFCCVEGCSA-N 0 3 255.431 2.381 10 0 CEAEHN CN[C@@H]1CC(C)(C)Oc2cc(OCCC(=O)OC)ccc21 ZINC000069317356 522375807 /nfs/dbraw/zinc/37/58/07/522375807.db2.gz LCMOOFGDUAEVJY-CYBMUJFWSA-N 0 3 293.363 2.450 10 0 CEAEHN CN(C1CCCCCC1)S(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631166 522414414 /nfs/dbraw/zinc/41/44/14/522414414.db2.gz XVPLGBAKLVSEPD-ZDUSSCGKSA-N 0 3 288.457 2.113 10 0 CEAEHN CN[C@H](c1cnn(C)c1)c1ccc2ncccc2c1 ZINC000062802274 522487577 /nfs/dbraw/zinc/48/75/77/522487577.db2.gz IAKDJLDXUWZAMZ-HNNXBMFYSA-N 0 3 252.321 2.277 10 0 CEAEHN CN[C@H]1COc2cc(OCc3nc(C(C)C)no3)ccc21 ZINC000062804027 522508195 /nfs/dbraw/zinc/50/81/95/522508195.db2.gz JBJJRXMXTBKCKD-LBPRGKRZSA-N 0 3 289.335 2.425 10 0 CEAEHN CN[C@](C)(C[C@H](C)Oc1ccc2c(c1)CCCC2)C(N)=O ZINC000068652526 522522640 /nfs/dbraw/zinc/52/26/40/522522640.db2.gz BXKIQXYCJSGEQG-YVEFUNNKSA-N 0 3 290.407 2.186 10 0 CEAEHN CNc1c(F)cccc1C(=O)N1CCC[C@H]1CN(C)C ZINC000061656074 522544207 /nfs/dbraw/zinc/54/42/07/522544207.db2.gz FIQLRYIHQKMMNK-NSHDSACASA-N 0 3 279.359 2.034 10 0 CEAEHN C[N@H+](CC[C@H](NC1CC1)C(=O)[O-])CC1CCCCC1 ZINC000062526695 522933400 /nfs/dbraw/zinc/93/34/00/522933400.db2.gz ZKTXYIWVZGOLEX-AWEZNQCLSA-N 0 3 268.401 2.094 10 0 CEAEHN C[N@@H+](CC[C@H](NC1CC1)C(=O)[O-])CC1CCCCC1 ZINC000062526695 522933406 /nfs/dbraw/zinc/93/34/06/522933406.db2.gz ZKTXYIWVZGOLEX-AWEZNQCLSA-N 0 3 268.401 2.094 10 0 CEAEHN CN(CC[C@H]([NH2+]C1CC1)C(=O)[O-])CC1CCCCC1 ZINC000062526695 522933409 /nfs/dbraw/zinc/93/34/09/522933409.db2.gz ZKTXYIWVZGOLEX-AWEZNQCLSA-N 0 3 268.401 2.094 10 0 CEAEHN COc1cc([C@H](O)[C@@H](N)c2ccccc2)ccc1O ZINC000054681661 522952916 /nfs/dbraw/zinc/95/29/16/522952916.db2.gz PTDDSWKGFXSPGZ-GJZGRUSLSA-N 0 3 259.305 2.134 10 0 CEAEHN CC[C@@H]1CCCN(Cc2ccnc(C(N)=S)c2)C1 ZINC000068752031 523251955 /nfs/dbraw/zinc/25/19/55/523251955.db2.gz ITVAOXDAQFRXCY-LLVKDONJSA-N 0 3 263.410 2.338 10 0 CEAEHN CN(Cc1ccc(F)cc1)c1ncc(CN)s1 ZINC000054898837 523252575 /nfs/dbraw/zinc/25/25/75/523252575.db2.gz MVNVCXYRARWLBC-UHFFFAOYSA-N 0 3 251.330 2.377 10 0 CEAEHN COCCCN(CCOC)Cc1cc(CNC(C)C)co1 ZINC000052543272 523255955 /nfs/dbraw/zinc/25/59/55/523255955.db2.gz JNABXXBIRPXRPV-UHFFFAOYSA-N 0 3 298.427 2.263 10 0 CEAEHN CC[C@H]1CN(c2nc(C3CC3)c(CN)s2)CCN1C ZINC000069182951 523308502 /nfs/dbraw/zinc/30/85/02/523308502.db2.gz QCHNPXYVABSUQP-NSHDSACASA-N 0 3 280.441 2.010 10 0 CEAEHN CC[C@H]1CN(c2nc(C3CC3)c(CNC)s2)CCO1 ZINC000069147046 523309185 /nfs/dbraw/zinc/30/91/85/523309185.db2.gz UMZAQODCTRXRDG-NSHDSACASA-N 0 3 281.425 2.355 10 0 CEAEHN CCn1cc(COc2ccc3c(c2)OC[C@@H]3NC)cn1 ZINC000062804221 523392033 /nfs/dbraw/zinc/39/20/33/523392033.db2.gz IWOCTUJMQBWPIR-AWEZNQCLSA-N 0 3 273.336 2.135 10 0 CEAEHN CC[C@@H]1CN(c2nc(C3CC3)c(CN)s2)CCO1 ZINC000069147043 523472665 /nfs/dbraw/zinc/47/26/65/523472665.db2.gz YHWHZYAXZCYOGM-SNVBAGLBSA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1c1ncc([C@@H](C)N)s1 ZINC000054898185 523510838 /nfs/dbraw/zinc/51/08/38/523510838.db2.gz SDGYYIGGQXVDEV-IVZWLZJFSA-N 0 3 255.387 2.167 10 0 CEAEHN CCn1ccnc1[C@H](N)Cc1ccc(OC)c(OC)c1 ZINC000069497812 523560544 /nfs/dbraw/zinc/56/05/44/523560544.db2.gz CVMUAXCOVMUMQV-GFCCVEGCSA-N 0 3 275.352 2.163 10 0 CEAEHN CN(Cc1occc1CNC1CC1)[C@@H]1CCSC1 ZINC000052453171 523617149 /nfs/dbraw/zinc/61/71/49/523617149.db2.gz PHCDOUFUMAWBLA-CYBMUJFWSA-N 0 3 266.410 2.469 10 0 CEAEHN COc1ccc(C(C)=O)cc1CN1CCC[C@H]1CN(C)C ZINC000061645749 523792156 /nfs/dbraw/zinc/79/21/56/523792156.db2.gz HNWMCJPLGZPLLR-INIZCTEOSA-N 0 3 290.407 2.424 10 0 CEAEHN CN1CCCC[C@H]1CNc1nc(Cl)nc(Cl)n1 ZINC000061518977 523799706 /nfs/dbraw/zinc/79/97/06/523799706.db2.gz UYBQRBGTNOXBCY-ZETCQYMHSA-N 0 3 276.171 2.075 10 0 CEAEHN COC(=O)[C@@](CN(C)CC(C)(C)C)(NC1CC1)C1CC1 ZINC000069132495 523821905 /nfs/dbraw/zinc/82/19/05/523821905.db2.gz GBXDOZQIDJDTKF-INIZCTEOSA-N 0 3 282.428 2.038 10 0 CEAEHN CCc1ccc(C(=O)N2[C@H](C)CNC[C@H]2C)s1 ZINC000069133140 523888949 /nfs/dbraw/zinc/88/89/49/523888949.db2.gz UGDAJJJPQFFDKB-NXEZZACHSA-N 0 3 252.383 2.133 10 0 CEAEHN CC[C@H](C)N(CCOC)Cc1csc(CNC)n1 ZINC000052547166 523938844 /nfs/dbraw/zinc/93/88/44/523938844.db2.gz GUVXGPHZCVFRLS-NSHDSACASA-N 0 3 271.430 2.109 10 0 CEAEHN COCCNCc1c(N2CCC[C@H]2C)nc2sccn12 ZINC000062736498 523948434 /nfs/dbraw/zinc/94/84/34/523948434.db2.gz WTZXXHZIODLVEI-LLVKDONJSA-N 0 3 294.424 2.121 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2cccnc2NC)CC1 ZINC000055071207 523957130 /nfs/dbraw/zinc/95/71/30/523957130.db2.gz XQRRUKUGTKBNII-ZDUSSCGKSA-N 0 3 262.401 2.039 10 0 CEAEHN COC(=O)[C@](C)(C[C@@H](C)N1CCCCC1)NC(C)C ZINC000068620293 524000409 /nfs/dbraw/zinc/00/04/09/524000409.db2.gz SFTAQPRJJARDDM-HIFRSBDPSA-N 0 3 270.417 2.181 10 0 CEAEHN COCCOCc1cc(C)c(CNCC(C)C)o1 ZINC000052628378 524027753 /nfs/dbraw/zinc/02/77/53/524027753.db2.gz ILUQCEVEEZRBAC-UHFFFAOYSA-N 0 3 255.358 2.497 10 0 CEAEHN COCCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)N2)cc1 ZINC000066146436 524048832 /nfs/dbraw/zinc/04/88/32/524048832.db2.gz MTMSAUJWOGEYGG-DOMZBBRYSA-N 0 3 292.379 2.181 10 0 CEAEHN CNC(=O)CCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2N ZINC000068816613 524065494 /nfs/dbraw/zinc/06/54/94/524065494.db2.gz YUVATMCMDPLVJL-ZDUSSCGKSA-N 0 3 292.379 2.153 10 0 CEAEHN C[C@H](CCC(=O)[O-])[NH+]1CCC(N2CCCCC2)CC1 ZINC000050956749 524120409 /nfs/dbraw/zinc/12/04/09/524120409.db2.gz HHSGVECSVKEOIU-CYBMUJFWSA-N 0 3 268.401 2.190 10 0 CEAEHN Cc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1[O-] ZINC000049560327 524206042 /nfs/dbraw/zinc/20/60/42/524206042.db2.gz ZXCDYJQLYUTVHC-ZDUSSCGKSA-N 0 3 278.396 2.407 10 0 CEAEHN C[C@H](CCc1ccc(O)cc1)NCc1ccncn1 ZINC000054789507 524234612 /nfs/dbraw/zinc/23/46/12/524234612.db2.gz RMPWPRNQGONOSH-GFCCVEGCSA-N 0 3 257.337 2.293 10 0 CEAEHN C[C@@H]1CCCN[C@H]1C(=O)Nc1c(F)cccc1F ZINC000051792415 524263391 /nfs/dbraw/zinc/26/33/91/524263391.db2.gz BEAJQPVZDNBUSX-LDYMZIIASA-N 0 3 254.280 2.291 10 0 CEAEHN Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC[C@@H](C)O2)o1 ZINC000151040968 524407459 /nfs/dbraw/zinc/40/74/59/524407459.db2.gz QWEVEFLSEOLEEZ-UKRRQHHQSA-N 0 3 294.395 2.046 10 0 CEAEHN COc1ccccc1C[C@H](C)NCc1cnccn1 ZINC000054766510 524511363 /nfs/dbraw/zinc/51/13/63/524511363.db2.gz YIZKONAKMRKIRD-LBPRGKRZSA-N 0 3 257.337 2.206 10 0 CEAEHN Cc1cccc(N(C)Cc2ccnc(C(=N)N)c2)c1 ZINC000068761786 524519650 /nfs/dbraw/zinc/51/96/50/524519650.db2.gz HAMVUIOUWXCCTE-UHFFFAOYSA-N 0 3 254.337 2.310 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1cccc2c1CCCN2 ZINC000061412278 524592890 /nfs/dbraw/zinc/59/28/90/524592890.db2.gz FERYHCGRQXSDAH-ZDUSSCGKSA-N 0 3 287.407 2.259 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)N2)cc1C ZINC000049532366 524596458 /nfs/dbraw/zinc/59/64/58/524596458.db2.gz RUSFGFORVYECAM-YPMHNXCESA-N 0 3 262.353 2.473 10 0 CEAEHN C[C@H]1CN(Cc2ccc(CNC(C)(C)C)o2)CCO1 ZINC000052382396 524618731 /nfs/dbraw/zinc/61/87/31/524618731.db2.gz RHUVIALSWDNMEH-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN Cc1cc(CN(C)C[C@H]2CCCCO2)oc1CN ZINC000052507444 524661055 /nfs/dbraw/zinc/66/10/55/524661055.db2.gz VEACBEWGHSFGAN-GFCCVEGCSA-N 0 3 252.358 2.048 10 0 CEAEHN C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2CN)C[C@@H]1C ZINC000068583033 524703536 /nfs/dbraw/zinc/70/35/36/524703536.db2.gz VHXHFCUCOPBEOL-DYEKYZERSA-N 0 3 296.436 2.248 10 0 CEAEHN Cc1cccc(SC[C@](NC2CC2)(C(N)=O)C2CC2)c1 ZINC000069188611 524811211 /nfs/dbraw/zinc/81/12/11/524811211.db2.gz QSFZOPPCCOULFE-MRXNPFEDSA-N 0 3 290.432 2.473 10 0 CEAEHN C[C@H]([NH3+])[C@@]([O-])(c1cc(F)ccc1F)C(F)(F)F ZINC000062784615 524846721 /nfs/dbraw/zinc/84/67/21/524846721.db2.gz DOWMMUVALXMRSD-SSDLBLMSSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H](C[C@@](C)(N)C(N)=O)Oc1cccc2ccccc21 ZINC000068656744 524852596 /nfs/dbraw/zinc/85/25/96/524852596.db2.gz GUCFMVHHABOMAN-MEDUHNTESA-N 0 3 272.348 2.200 10 0 CEAEHN C[C@H]([NH3+])[C@]([O-])(c1ccc(F)c(F)c1)C(F)(F)F ZINC000062784727 524861965 /nfs/dbraw/zinc/86/19/65/524861965.db2.gz ZZZKXTFESXLJRO-CDUCUWFYSA-N 0 3 255.186 2.062 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(N)=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000068652744 524862919 /nfs/dbraw/zinc/86/29/19/524862919.db2.gz URYZTKQHQGWXAF-FIRUKDTASA-N 0 3 282.428 2.356 10 0 CEAEHN Cc1cccc([C@H](C)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069140681 524874841 /nfs/dbraw/zinc/87/48/41/524874841.db2.gz QOWHXRCMOXUBCR-GXTWGEPZSA-N 0 3 267.394 2.223 10 0 CEAEHN COc1csc(C(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000161682659 524950147 /nfs/dbraw/zinc/95/01/47/524950147.db2.gz HVNDCWSIWMVYNQ-GFCCVEGCSA-N 0 3 276.361 2.187 10 0 CEAEHN COc1ccc(O[C@H](C)C[C@@](C)(NC(C)C)C(N)=O)cc1 ZINC000068656836 524989348 /nfs/dbraw/zinc/98/93/48/524989348.db2.gz JZQZGVMBSXTVAO-MLGOLLRUSA-N 0 3 294.395 2.095 10 0 CEAEHN C[C@@H](N)C(=O)Nc1cc(Br)ccc1Cl ZINC000061692448 524989599 /nfs/dbraw/zinc/98/95/99/524989599.db2.gz XPDDVUHELJYITP-RXMQYKEDSA-N 0 3 277.549 2.388 10 0 CEAEHN C[C@@H]([NH3+])[C@]([O-])(c1ccc(F)c(F)c1F)C(F)(F)F ZINC000062784776 525023570 /nfs/dbraw/zinc/02/35/70/525023570.db2.gz YESHPFDKCCHYAN-MOFOKWOHSA-N 0 3 273.176 2.201 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cc(F)c(F)c(F)c2)CCCO1 ZINC000062711795 525055331 /nfs/dbraw/zinc/05/53/31/525055331.db2.gz XOHPQLSAPSVKMS-RNCFNFMXSA-N 0 3 288.313 2.215 10 0 CEAEHN Cc1ccc(NC(=O)CN[C@@H](C)CN2CCCC2)cc1 ZINC000049180359 525063077 /nfs/dbraw/zinc/06/30/77/525063077.db2.gz OFINCFDVKPXMNL-AWEZNQCLSA-N 0 3 275.396 2.007 10 0 CEAEHN C[C@@H]1CSCCN1CCC(=O)Nc1ccc(F)cc1N ZINC000070219010 525171744 /nfs/dbraw/zinc/17/17/44/525171744.db2.gz ZAEOKFXJELPLRD-SNVBAGLBSA-N 0 3 297.399 2.174 10 0 CEAEHN CS(=O)(=O)[C@H](c1ccccc1)[C@@H](N)Cc1ccccc1 ZINC000054930072 525235739 /nfs/dbraw/zinc/23/57/39/525235739.db2.gz HNQWEKPDGGIRND-JKSUJKDBSA-N 0 3 289.400 2.342 10 0 CEAEHN Cc1cc(NC[C@H]2CCCN(C)C2)nc(Cl)n1 ZINC000052814874 525274309 /nfs/dbraw/zinc/27/43/09/525274309.db2.gz NKGGWEYIDPEBJI-SNVBAGLBSA-N 0 3 254.765 2.192 10 0 CEAEHN C[C@]1(c2ccccc2)CN(Cc2ccncc2)CCN1 ZINC000068693746 525332528 /nfs/dbraw/zinc/33/25/28/525332528.db2.gz UVKRHAGWZGFUTA-QGZVFWFLSA-N 0 3 267.376 2.402 10 0 CEAEHN C[C@@H]1C[C@H]1NCC(=O)Nc1cccc(Br)c1 ZINC000052287812 525497097 /nfs/dbraw/zinc/49/70/97/525497097.db2.gz GNJFQJGUXBUDNU-LDYMZIIASA-N 0 3 283.169 2.386 10 0 CEAEHN C[C@@H]1Cc2ccccc2N1c1ccnc(C(=N)N)c1 ZINC000061813998 525536426 /nfs/dbraw/zinc/53/64/26/525536426.db2.gz LOPAYDVJPCJULH-SNVBAGLBSA-N 0 3 252.321 2.448 10 0 CEAEHN Cc1cc2ncn(Cc3ccnc(C(=N)N)c3)c2cc1C ZINC000068762094 525685927 /nfs/dbraw/zinc/68/59/27/525685927.db2.gz NKIZDUCZOUIBEP-UHFFFAOYSA-N 0 3 279.347 2.381 10 0 CEAEHN Cc1c(Cl)cccc1NS(=O)(=O)CCNC(C)C ZINC000049640663 525778954 /nfs/dbraw/zinc/77/89/54/525778954.db2.gz XRFGQGCAOQBHHQ-UHFFFAOYSA-N 0 3 290.816 2.388 10 0 CEAEHN Cc1ccc(=O)n(C[C@H](N)c2ccc3ccccc3c2)n1 ZINC000061810450 525978486 /nfs/dbraw/zinc/97/84/86/525978486.db2.gz SUAUTJYLYYKOJF-INIZCTEOSA-N 0 3 279.343 2.405 10 0 CEAEHN Cc1ccc(C(C)C)cc1O[C@H](C)C[C@](C)(N)C(N)=O ZINC000068650813 526250701 /nfs/dbraw/zinc/25/07/01/526250701.db2.gz FQGUYAIDHPHGJK-WBMJQRKESA-N 0 3 278.396 2.479 10 0 CEAEHN O[C@H](CNC1CC1)c1ccc(Br)s1 ZINC000049850142 526276265 /nfs/dbraw/zinc/27/62/65/526276265.db2.gz MOCPTTOYRZYXBG-SSDOTTSWSA-N 0 3 262.172 2.296 10 0 CEAEHN O=C(NCCc1cccc(F)c1)c1ccc2c(c1)CNC2 ZINC000156657066 526418252 /nfs/dbraw/zinc/41/82/52/526418252.db2.gz MTGZWKHAKWZYBZ-UHFFFAOYSA-N 0 3 284.334 2.401 10 0 CEAEHN Cc1nc(-c2ccncc2)nc(C)c1CNC1CC1 ZINC000054854381 526618005 /nfs/dbraw/zinc/61/80/05/526618005.db2.gz NIIIHRRDZCTWTG-UHFFFAOYSA-N 0 3 254.337 2.407 10 0 CEAEHN Cc1nc(C)n(Cc2cc(C)c(CNC(C)C)o2)n1 ZINC000052574557 526764499 /nfs/dbraw/zinc/76/44/99/526764499.db2.gz VSOWLJOOVVVWTH-UHFFFAOYSA-N 0 3 262.357 2.343 10 0 CEAEHN CC(C)(C)c1nnc(NC[C@@H](O)CN2CCCCC2)s1 ZINC000153104924 526895399 /nfs/dbraw/zinc/89/53/99/526895399.db2.gz VUMBMHKVEULDGZ-LLVKDONJSA-N 0 3 298.456 2.094 10 0 CEAEHN Cc1nc(Cc2cc(F)cc(F)c2)nc(C)c1CN ZINC000054836920 526926179 /nfs/dbraw/zinc/92/61/79/526926179.db2.gz QISYNNMFFBJFEH-UHFFFAOYSA-N 0 3 263.291 2.421 10 0 CEAEHN NC(=O)[C@@H](NCC1CC1)c1csc2ccccc21 ZINC000054464983 526955730 /nfs/dbraw/zinc/95/57/30/526955730.db2.gz AZHHCCLRUDWEHI-ZDUSSCGKSA-N 0 3 260.362 2.427 10 0 CEAEHN NC(=O)[C@@](CSCC1CCCC1)(NC1CC1)C1CC1 ZINC000069190748 526988712 /nfs/dbraw/zinc/98/87/12/526988712.db2.gz BPIQWMTVOYKQDQ-HNNXBMFYSA-N 0 3 282.453 2.296 10 0 CEAEHN NCc1cc(CN2CC[C@H](c3ccccc3)C2)on1 ZINC000052373099 527246804 /nfs/dbraw/zinc/24/68/04/527246804.db2.gz XRZRQWPOZODDFK-ZDUSSCGKSA-N 0 3 257.337 2.123 10 0 CEAEHN NCc1ccc(Cl)cc1N1CCn2ccnc2C1 ZINC000062787075 527253794 /nfs/dbraw/zinc/25/37/94/527253794.db2.gz DOOBYUNPWJXFHA-UHFFFAOYSA-N 0 3 262.744 2.015 10 0 CEAEHN NCc1ccc(F)cc1CS(=O)(=O)c1ccccc1F ZINC000069403918 527255064 /nfs/dbraw/zinc/25/50/64/527255064.db2.gz XTYKPZWIKPJDKA-UHFFFAOYSA-N 0 3 297.326 2.397 10 0 CEAEHN NCc1cccc(C(=O)N2CCOc3ccccc3C2)c1 ZINC000063012378 527259374 /nfs/dbraw/zinc/25/93/74/527259374.db2.gz OTWJESMZPDWHQA-UHFFFAOYSA-N 0 3 282.343 2.180 10 0 CEAEHN NCc1occc1CN1CCN(Cc2ccccc2)CC1 ZINC000052417116 527268426 /nfs/dbraw/zinc/26/84/26/527268426.db2.gz GGKQNYJXANWCPE-UHFFFAOYSA-N 0 3 285.391 2.056 10 0 CEAEHN NNc1ccc(Cl)c(Cn2ncc3ccccc32)n1 ZINC000061639367 527279904 /nfs/dbraw/zinc/27/99/04/527279904.db2.gz YMMVKUPPLIFMIB-UHFFFAOYSA-N 0 3 273.727 2.419 10 0 CEAEHN Cc1nccc(CNc2ccccc2CN(C)C)n1 ZINC000054790648 527341143 /nfs/dbraw/zinc/34/11/43/527341143.db2.gz GYSDVPUNPMAAPW-UHFFFAOYSA-N 0 3 256.353 2.459 10 0 CEAEHN N[C@@H]1CCN(c2cc(Br)ccc2Cl)C1=O ZINC000061691690 527364384 /nfs/dbraw/zinc/36/43/84/527364384.db2.gz IIOAMJXMDWERRF-MRVPVSSYSA-N 0 3 289.560 2.167 10 0 CEAEHN N[C@H]1COc2cc(OCCCOCC(F)(F)F)ccc21 ZINC000062803507 527417579 /nfs/dbraw/zinc/41/75/79/527417579.db2.gz ILTGCBVMDSPGQH-NSHDSACASA-N 0 3 291.269 2.427 10 0 CEAEHN Nc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000061702165 527497378 /nfs/dbraw/zinc/49/73/78/527497378.db2.gz LRDZGDOCXPGUBO-OAHLLOKOSA-N 0 3 269.348 2.317 10 0 CEAEHN Cn1nccc1[C@H](N)Cc1ccc(F)cc1Cl ZINC000069467952 527628172 /nfs/dbraw/zinc/62/81/72/527628172.db2.gz XJZHRSKAHRXRRO-LLVKDONJSA-N 0 3 253.708 2.455 10 0 CEAEHN O[C@@H](CNC1CC1)c1ccc(Br)cc1F ZINC000055029288 527651596 /nfs/dbraw/zinc/65/15/96/527651596.db2.gz ODEATQIEEQEXDR-NSHDSACASA-N 0 3 274.133 2.374 10 0 CEAEHN O[C@@H](CNC1CC1)c1ccc(Br)s1 ZINC000049850144 527651931 /nfs/dbraw/zinc/65/19/31/527651931.db2.gz MOCPTTOYRZYXBG-ZETCQYMHSA-N 0 3 262.172 2.296 10 0 CEAEHN FC(F)(F)CO[C@H]1CCC[C@H](NCc2cnccn2)C1 ZINC000054766386 527672232 /nfs/dbraw/zinc/67/22/32/527672232.db2.gz SKERBUGKCTUALI-JQWIXIFHSA-N 0 3 289.301 2.456 10 0 CEAEHN FC(F)(F)CO[C@H]1CCC[C@@H](NCc2cnccn2)C1 ZINC000054766385 527672251 /nfs/dbraw/zinc/67/22/51/527672251.db2.gz SKERBUGKCTUALI-PWSUYJOCSA-N 0 3 289.301 2.456 10 0 CEAEHN O[C@@H]1CCC[C@H](NCc2cc(F)c(F)c(F)c2)C1 ZINC000062707717 527672936 /nfs/dbraw/zinc/67/29/36/527672936.db2.gz KEABKHNERXOYEJ-VHSXEESVSA-N 0 3 259.271 2.497 10 0 CEAEHN O[C@@H]1CCN(c2cccc(Cl)c2CNC2CC2)C1 ZINC000061711228 527675248 /nfs/dbraw/zinc/67/52/48/527675248.db2.gz AFHYXYXRUFXFCF-LLVKDONJSA-N 0 3 266.772 2.163 10 0 CEAEHN CCN1CCC[C@H](NC(=O)CCSc2ccccn2)C1 ZINC000152295552 529087435 /nfs/dbraw/zinc/08/74/35/529087435.db2.gz DBXCHPHKFCOKLB-ZDUSSCGKSA-N 0 3 293.436 2.164 10 0 CEAEHN CN[C@@H](C)c1cc(F)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090906377 536350965 /nfs/dbraw/zinc/35/09/65/536350965.db2.gz QEGXADCPXWHQTA-WCFLWFBJSA-N 0 3 264.344 2.474 10 0 CEAEHN Cn1cc(CNCC[C@@H]2CCCO2)c(C(C)(C)C)n1 ZINC000093947450 538798431 /nfs/dbraw/zinc/79/84/31/538798431.db2.gz LXHDSZZIKXWLFS-ZDUSSCGKSA-N 0 3 265.401 2.376 10 0 CEAEHN CC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@@H](C)C1 ZINC000309832227 625322590 /nfs/dbraw/zinc/32/25/90/625322590.db2.gz YVVUKEUDBLEJEU-RDEBWYJNSA-N 0 3 265.184 2.152 10 0 CEAEHN CCOc1ccccc1[C@H](C)NC1CCS(=O)(=O)CC1 ZINC000036331372 622668412 /nfs/dbraw/zinc/66/84/12/622668412.db2.gz SMOFRRAGOAWLSZ-LBPRGKRZSA-N 0 3 297.420 2.313 10 0 CEAEHN C[C@@H]1CN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000891400452 623594982 /nfs/dbraw/zinc/59/49/82/623594982.db2.gz AIGPWGMBOYJGIX-SYQHCUMBSA-N 0 3 298.427 2.399 10 0 CEAEHN CCC[C@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000236876973 628680533 /nfs/dbraw/zinc/68/05/33/628680533.db2.gz HYFUJMMVURWBMM-AGIUHOORSA-N 0 3 270.417 2.071 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000262331781 630688481 /nfs/dbraw/zinc/68/84/81/630688481.db2.gz VTMVSIMTLDGNGS-ZDUSSCGKSA-N 0 3 292.383 2.282 10 0 CEAEHN CN(C)C[C@H](NC(=O)C1=CCCCO1)c1ccccc1 ZINC000173722858 639873674 /nfs/dbraw/zinc/87/36/74/639873674.db2.gz OZLHPNWMIMCNOQ-AWEZNQCLSA-N 0 3 274.364 2.100 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2sccc2C1 ZINC000019441483 649366921 /nfs/dbraw/zinc/36/69/21/649366921.db2.gz WLRIHJDLEAUPBR-JOYOIKCWSA-N 0 3 252.383 2.006 10 0 CEAEHN CCOc1ccccc1[C@H](C)NCC[S@@](C)=O ZINC000131423841 652424424 /nfs/dbraw/zinc/42/44/24/652424424.db2.gz QFTCVEPTWBHJNK-GTNSWQLSSA-N 0 3 255.383 2.114 10 0 CEAEHN COCCNCc1sc(N(C)C)nc1C(C)C ZINC000082434675 178011678 /nfs/dbraw/zinc/01/16/78/178011678.db2.gz ZEVPOIBDVKYHJW-UHFFFAOYSA-N 0 3 257.403 2.069 10 0 CEAEHN Cn1c2ncccc2nc1[C@H](N)Cc1ccccc1 ZINC000082556000 178092456 /nfs/dbraw/zinc/09/24/56/178092456.db2.gz JGSDUCVXXZYDLO-GFCCVEGCSA-N 0 3 252.321 2.211 10 0 CEAEHN O=S1(=O)CC(CCN2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000336427309 365574936 /nfs/dbraw/zinc/57/49/36/365574936.db2.gz NICCKRNERAYEEO-KBPBESRZSA-N 0 3 271.426 2.076 10 0 CEAEHN Cc1nc2c(Br)cc(F)cn2c1CN ZINC000082693625 178187440 /nfs/dbraw/zinc/18/74/40/178187440.db2.gz JOLHIDHZZCFXHW-UHFFFAOYSA-N 0 3 258.094 2.003 10 0 CEAEHN COCCN1CCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096077973 185089819 /nfs/dbraw/zinc/08/98/19/185089819.db2.gz MVJIZWKCRKPMKW-UHFFFAOYSA-N 0 3 294.420 2.075 10 0 CEAEHN C[C@H](CN)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000082789852 178295268 /nfs/dbraw/zinc/29/52/68/178295268.db2.gz GTPCHJZGRQTHCE-ZCFIWIBFSA-N 0 3 268.165 2.114 10 0 CEAEHN COc1c(CNC[C@]2(C)CCCS2)c(C)nn1C ZINC000124698117 365656622 /nfs/dbraw/zinc/65/66/22/365656622.db2.gz ZFYSNXOHEQWDMB-ZDUSSCGKSA-N 0 3 269.414 2.112 10 0 CEAEHN Cc1ccc(C(=O)CCN2C[C@@H](C)[C@H](N(C)C)C2)cc1 ZINC000125181121 187173737 /nfs/dbraw/zinc/17/37/37/187173737.db2.gz UNUOPIPOHVQPNN-GDBMZVCRSA-N 0 3 274.408 2.450 10 0 CEAEHN Cc1ccc(S(=O)(=O)C[C@H]2CCCCN2)c(C)c1 ZINC000083309110 178380325 /nfs/dbraw/zinc/38/03/25/178380325.db2.gz WORLPWBQMLQFPS-CYBMUJFWSA-N 0 3 267.394 2.219 10 0 CEAEHN CCNc1nc(NC2CCC(C)CC2)nc(N(C)C)n1 ZINC000097030853 185154766 /nfs/dbraw/zinc/15/47/66/185154766.db2.gz GQYLAKHKXSJLFS-UHFFFAOYSA-N 0 3 278.404 2.360 10 0 CEAEHN O=C(OCc1ccccc1)N1CC[C@H](NC2CC2)[C@@H](F)C1 ZINC000214838279 539030959 /nfs/dbraw/zinc/03/09/59/539030959.db2.gz MXXHIMMQMBVVGB-GJZGRUSLSA-N 0 3 292.354 2.488 10 0 CEAEHN CCc1cc(C)c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)o1 ZINC000125840060 365688911 /nfs/dbraw/zinc/68/89/11/365688911.db2.gz JPMWJEJNJPHWPC-QWHCGFSZSA-N 0 3 276.380 2.459 10 0 CEAEHN CN(C)[C@@H]1CCN(c2ncc(Br)cc2F)C1 ZINC000229537358 539166947 /nfs/dbraw/zinc/16/69/47/539166947.db2.gz QSILTLJPTKBMEX-SECBINFHSA-N 0 3 288.164 2.124 10 0 CEAEHN CCCn1cc(CN2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000188401308 539178902 /nfs/dbraw/zinc/17/89/02/539178902.db2.gz MOYLQLKHMMJTCS-OAHLLOKOSA-N 0 3 273.384 2.154 10 0 CEAEHN CC(C)(C)CCNC(=O)[C@@H](N)CCc1ccccc1 ZINC000083456809 178472223 /nfs/dbraw/zinc/47/22/23/178472223.db2.gz JMVQQBFZJFSZHR-AWEZNQCLSA-N 0 3 262.397 2.499 10 0 CEAEHN Cc1cc(F)c(C(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000133897195 539276400 /nfs/dbraw/zinc/27/64/00/539276400.db2.gz ZAGLEGSSCWRNFY-JTQLQIEISA-N 0 3 268.307 2.049 10 0 CEAEHN CN(C)CCN(Cc1ccccn1)c1ccccn1 ZINC000002012478 343351552 /nfs/dbraw/zinc/35/15/52/343351552.db2.gz RWGIRAQEBOXWTA-UHFFFAOYSA-N 0 3 256.353 2.045 10 0 CEAEHN CCOC(=O)[C@@H]1CCCN(C[C@@](C)(O)c2ccccc2)C1 ZINC000126771464 187260605 /nfs/dbraw/zinc/26/06/05/187260605.db2.gz OCYDAJIDGPWTGV-RHSMWYFYSA-N 0 3 291.391 2.169 10 0 CEAEHN O[C@@H](COc1cccc2c1CCC2)CN1CCCCC1 ZINC000033856447 343418254 /nfs/dbraw/zinc/41/82/54/343418254.db2.gz OSQXNJFIVXOZLL-OAHLLOKOSA-N 0 3 275.392 2.401 10 0 CEAEHN COC(=O)C[C@H](N)c1cc(Br)ccc1OC ZINC000034961682 343421118 /nfs/dbraw/zinc/42/11/18/343421118.db2.gz DCBGEQZCKQFXFC-VIFPVBQESA-N 0 3 288.141 2.021 10 0 CEAEHN CC(C)(C)n1cc(CNCC[C@@H]2CCCO2)cn1 ZINC000037996947 343432987 /nfs/dbraw/zinc/43/29/87/343432987.db2.gz JYZWZOAIBUSRNR-ZDUSSCGKSA-N 0 3 251.374 2.297 10 0 CEAEHN C[C@@H](NC(=O)NC1CCN(C)CC1)c1cccs1 ZINC000047885161 362230490 /nfs/dbraw/zinc/23/04/90/362230490.db2.gz WZJSSQVATARNIR-SNVBAGLBSA-N 0 3 267.398 2.203 10 0 CEAEHN C[C@H](NCC1(O)CCSCC1)c1cncc(F)c1 ZINC000305118156 539323506 /nfs/dbraw/zinc/32/35/06/539323506.db2.gz IRTNCPGHMQTDHZ-JTQLQIEISA-N 0 3 270.373 2.129 10 0 CEAEHN CCc1nc(CN[C@H]2CCCC[C@@H]2CO)cs1 ZINC000152332087 529740825 /nfs/dbraw/zinc/74/08/25/529740825.db2.gz RTGCSRMUIPOEEG-PWSUYJOCSA-N 0 3 254.399 2.346 10 0 CEAEHN CCC1CCC(CNC(=O)C(C)(C)N2CCNCC2)CC1 ZINC000129669852 344346335 /nfs/dbraw/zinc/34/63/35/344346335.db2.gz NNPPNSXTSJUSOH-UHFFFAOYSA-N 0 3 295.471 2.003 10 0 CEAEHN CC(=O)[C@@H]1C[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)C1(C)C ZINC000129849508 344347681 /nfs/dbraw/zinc/34/76/81/344347681.db2.gz FJRCZOWGJBMFOF-QLFBSQMISA-N 0 3 296.455 2.330 10 0 CEAEHN NC[C@H](F)Cc1ccc(F)c(Br)c1 ZINC000158054684 344449605 /nfs/dbraw/zinc/44/96/05/344449605.db2.gz BVAZGPATPNBMPL-SSDOTTSWSA-N 0 3 250.086 2.428 10 0 CEAEHN CCc1nc(N)cc(N2CCC(OCC(C)C)CC2)n1 ZINC000170084474 344484131 /nfs/dbraw/zinc/48/41/31/344484131.db2.gz MQARDHLNPRUJCE-UHFFFAOYSA-N 0 3 278.400 2.263 10 0 CEAEHN NCc1cccc(CN2C(=O)c3ccccc3C2=O)c1F ZINC000221857653 344540107 /nfs/dbraw/zinc/54/01/07/344540107.db2.gz OMSWILDMGYYYKQ-UHFFFAOYSA-N 0 3 284.290 2.081 10 0 CEAEHN CC(C)N1CCN(CCOc2ccc(N)cc2Cl)CC1 ZINC000224888090 344544902 /nfs/dbraw/zinc/54/49/02/344544902.db2.gz VUKITGIGVVTUHH-UHFFFAOYSA-N 0 3 297.830 2.327 10 0 CEAEHN Cc1ccc(Cl)c(NC(=O)C(C)(C)N2CCNCC2)c1 ZINC000226306831 344549188 /nfs/dbraw/zinc/54/91/88/344549188.db2.gz WBNSHEQHKOINTH-UHFFFAOYSA-N 0 3 295.814 2.271 10 0 CEAEHN Nc1ccnc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000227991536 344558183 /nfs/dbraw/zinc/55/81/83/344558183.db2.gz FCHKAXFNCHQLQM-CQSZACIVSA-N 0 3 283.379 2.135 10 0 CEAEHN C[C@@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)C(C)(C)C ZINC000246747198 344618051 /nfs/dbraw/zinc/61/80/51/344618051.db2.gz ZBFXZZXBGQFWPI-JHJVBQTASA-N 0 3 269.433 2.403 10 0 CEAEHN NCc1cc(OC(F)(F)F)c(Br)cn1 ZINC000238674553 344607763 /nfs/dbraw/zinc/60/77/63/344607763.db2.gz JPKVITORAGYSHD-UHFFFAOYSA-N 0 3 271.036 2.201 10 0 CEAEHN C[C@]1(C(=O)NC[C@H]2CC3CCC2CC3)CCCCN1 ZINC000400130398 344860915 /nfs/dbraw/zinc/86/09/15/344860915.db2.gz URPTWMSWWCDTDV-UWTIDYAISA-N 0 3 264.413 2.461 10 0 CEAEHN CN[C@H](C)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000054073337 362509107 /nfs/dbraw/zinc/50/91/07/362509107.db2.gz BSUFWGDSMDGVPM-KCJUWKMLSA-N 0 3 268.357 2.087 10 0 CEAEHN CN[C@@](C)(C[C@H](C)Sc1cc(F)ccc1F)C(N)=O ZINC000084350467 178863328 /nfs/dbraw/zinc/86/33/28/178863328.db2.gz BFGAOQNLLYGDSF-SDBXPKJASA-N 0 3 288.363 2.299 10 0 CEAEHN Cc1nn(C(C)C)c(N2CCN(C(C)(C)C)CC2)c1N ZINC000097144442 185547330 /nfs/dbraw/zinc/54/73/30/185547330.db2.gz LICCVDLMCWJAJD-UHFFFAOYSA-N 0 3 279.432 2.275 10 0 CEAEHN CC(C)CCO[C@@H]1CCN(C[C@H](O)COC(C)(C)C)C1 ZINC000083689019 539472425 /nfs/dbraw/zinc/47/24/25/539472425.db2.gz BZJTXCALBONFEL-LSDHHAIUSA-N 0 3 287.444 2.299 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2CCCCCC2)C1 ZINC000057870586 362598039 /nfs/dbraw/zinc/59/80/39/362598039.db2.gz PEJBPIDMJXRFFT-ZDUSSCGKSA-N 0 3 253.390 2.056 10 0 CEAEHN CCc1cc(C[C@H](NC)c2cncc(C)c2)n(C)n1 ZINC000097277090 185577041 /nfs/dbraw/zinc/57/70/41/185577041.db2.gz PEPYQHQCBZRSSZ-HNNXBMFYSA-N 0 3 258.369 2.189 10 0 CEAEHN CCc1cc([C@H](N)Cc2nn(C)c3ccccc23)n(C)n1 ZINC000097279270 185577444 /nfs/dbraw/zinc/57/74/44/185577444.db2.gz HBNKDCWEHKGHAU-CYBMUJFWSA-N 0 3 283.379 2.112 10 0 CEAEHN CCc1cc(C[C@H](N)c2cncc(F)c2)n(CC)n1 ZINC000097280016 185577589 /nfs/dbraw/zinc/57/75/89/185577589.db2.gz UUFLGDZNVCIYRB-AWEZNQCLSA-N 0 3 262.332 2.242 10 0 CEAEHN N[C@H](c1cnsn1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000097340484 185587772 /nfs/dbraw/zinc/58/77/72/185587772.db2.gz PPSFVCLFJWPSJT-KOLCDFICSA-N 0 3 285.438 2.230 10 0 CEAEHN COc1cccc([C@@H](NN)C(C)(C)N2CCCC2)c1 ZINC000097581298 185629823 /nfs/dbraw/zinc/62/98/23/185629823.db2.gz VYZSSYKKZMEUCI-CQSZACIVSA-N 0 3 263.385 2.074 10 0 CEAEHN CCCN[C@@](CO)(COCCC)c1ccccc1 ZINC000085286603 179003939 /nfs/dbraw/zinc/00/39/39/179003939.db2.gz HUNHNFBYKYBPFO-HNNXBMFYSA-N 0 3 251.370 2.300 10 0 CEAEHN Cc1ccc(-c2noc(-c3ccnc(NN)c3)n2)cc1 ZINC000085345929 179028365 /nfs/dbraw/zinc/02/83/65/179028365.db2.gz QXJLSXTVEZMZCN-UHFFFAOYSA-N 0 3 267.292 2.393 10 0 CEAEHN Cc1ccc(-c2noc(-c3cc[nH]c(=NN)c3)n2)cc1 ZINC000085345929 179028366 /nfs/dbraw/zinc/02/83/66/179028366.db2.gz QXJLSXTVEZMZCN-UHFFFAOYSA-N 0 3 267.292 2.393 10 0 CEAEHN CC(C)(C)N1CCN(c2ncc(Br)cn2)CC1 ZINC000111751787 136532202 /nfs/dbraw/zinc/53/22/02/136532202.db2.gz VOGFXMKMBKQSID-UHFFFAOYSA-N 0 3 299.216 2.160 10 0 CEAEHN C[C@@H](NC[C@H]1CCC(=O)N1)c1cnc2ccsc2c1 ZINC000085434165 179061027 /nfs/dbraw/zinc/06/10/27/179061027.db2.gz KTGAUKRDHDGKHR-MWLCHTKSSA-N 0 3 275.377 2.226 10 0 CEAEHN CCOCCN1C[C@@H](c2ccccc2)NC[C@@H]1C1CC1 ZINC000085506905 179084830 /nfs/dbraw/zinc/08/48/30/179084830.db2.gz IESMGUMCSCDYNP-DLBZAZTESA-N 0 3 274.408 2.448 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCCc2ccccc2C1 ZINC000062945956 362736701 /nfs/dbraw/zinc/73/67/01/362736701.db2.gz JEGKADBFVUTTAL-IUODEOHRSA-N 0 3 260.381 2.335 10 0 CEAEHN Cc1ccc(F)c(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000085560181 179093714 /nfs/dbraw/zinc/09/37/14/179093714.db2.gz PPPPDJDDOIOKPW-BDJLRTHQSA-N 0 3 294.370 2.288 10 0 CEAEHN COC[C@H](C)N(C)Cc1ccoc1CNCC(C)C ZINC000052511963 522595170 /nfs/dbraw/zinc/59/51/70/522595170.db2.gz NBJWDQDSDUXTPK-ZDUSSCGKSA-N 0 3 268.401 2.492 10 0 CEAEHN CCO[C@H]1C[C@@H](N[C@@H](C)C(OC)OC)C12CCCC2 ZINC000085681657 179114052 /nfs/dbraw/zinc/11/40/52/179114052.db2.gz XEVLWLRORHGHOR-XQQFMLRXSA-N 0 3 271.401 2.321 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000236901792 370651167 /nfs/dbraw/zinc/65/11/67/370651167.db2.gz AYACSDOYWQOOGX-ONGXEEELSA-N 0 3 268.332 2.139 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H](C)c1nc2ccccc2n1CC ZINC000236922178 370655718 /nfs/dbraw/zinc/65/57/18/370655718.db2.gz ZQUBFOGVUJFVGQ-NEPJUHHUSA-N 0 3 288.395 2.361 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000236927997 370657655 /nfs/dbraw/zinc/65/76/55/370657655.db2.gz SETZTOJYQOZNAO-STQMWFEESA-N 0 3 250.317 2.057 10 0 CEAEHN CCOc1ccc(C)cc1[C@H](NC)[C@@H]1CCS(=O)(=O)C1 ZINC000086022536 179218805 /nfs/dbraw/zinc/21/88/05/179218805.db2.gz TWDZSXOJBPHXOX-IUODEOHRSA-N 0 3 297.420 2.089 10 0 CEAEHN c1ccc([C@H]2CN(CCc3ccncc3)CCN2)cc1 ZINC000086142004 179237773 /nfs/dbraw/zinc/23/77/73/179237773.db2.gz VXXVRCOBMYEIBL-QGZVFWFLSA-N 0 3 267.376 2.271 10 0 CEAEHN Clc1cccc2c(N3CCNCC3)nsc21 ZINC000065739373 362844947 /nfs/dbraw/zinc/84/49/47/362844947.db2.gz WJJKSAHZKIEDHU-UHFFFAOYSA-N 0 3 253.758 2.359 10 0 in-vitro CEAEHN c1csc(CCN2CCNC[C@@H]2c2ccccc2)n1 ZINC000086177822 179246580 /nfs/dbraw/zinc/24/65/80/179246580.db2.gz AKJFDDAJHRMPBB-CQSZACIVSA-N 0 3 273.405 2.332 10 0 CEAEHN CN(CCNc1nc(Br)cs1)C1CC1 ZINC000086279848 179263380 /nfs/dbraw/zinc/26/33/80/179263380.db2.gz KEYSAHAHJLKFFG-UHFFFAOYSA-N 0 3 276.203 2.412 10 0 CEAEHN CN(CC(F)(F)F)c1nc2c(s1)CCC[C@@H]2N ZINC000086443001 179293617 /nfs/dbraw/zinc/29/36/17/179293617.db2.gz KNVPCPNMAHMQKP-LURJTMIESA-N 0 3 265.304 2.478 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)[C@@H](CC)CN1 ZINC000086447570 179295409 /nfs/dbraw/zinc/29/54/09/179295409.db2.gz VABLBBDBJCNYGK-STQMWFEESA-N 0 3 286.379 2.166 10 0 CEAEHN CC[C@@H]1CN(C(=O)C[C@H]2C=CCC2)[C@@H](CC)CN1 ZINC000086447573 179295548 /nfs/dbraw/zinc/29/55/48/179295548.db2.gz HJXUHJQRDKBKCC-MJBXVCDLSA-N 0 3 250.386 2.332 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)NC1CCCCC1 ZINC000086448227 179295645 /nfs/dbraw/zinc/29/56/45/179295645.db2.gz PTFOLWMJKJVOJU-GXTWGEPZSA-N 0 3 267.417 2.491 10 0 CEAEHN CN[C@H](Cc1ccc(Br)s1)C(OC)OC ZINC000086452215 179296250 /nfs/dbraw/zinc/29/62/50/179296250.db2.gz YIDMVOCSHMBRPM-MRVPVSSYSA-N 0 3 294.214 2.260 10 0 CEAEHN Cc1nc(Sc2ccc(CN)cn2)nc(C)c1C ZINC000086644036 179315853 /nfs/dbraw/zinc/31/58/53/179315853.db2.gz HNGYCXBHWOQHSV-UHFFFAOYSA-N 0 3 260.366 2.407 10 0 CEAEHN CCN1CCC(O)([C@H]2CCc3ccccc3N2)CC1 ZINC000086666659 179317182 /nfs/dbraw/zinc/31/71/82/179317182.db2.gz QXOANEGSZJEYRG-OAHLLOKOSA-N 0 3 260.381 2.260 10 0 CEAEHN CS(=O)(=O)[C@H]1CCC[C@@H]1NCc1cc2c(s1)CCC2 ZINC000086675449 179318535 /nfs/dbraw/zinc/31/85/35/179318535.db2.gz RXQJKWGPJUUMAM-JSGCOSHPSA-N 0 3 299.461 2.292 10 0 CEAEHN CC[C@](C)(N)c1nc2cc(Br)cnc2[nH]1 ZINC000086797363 179336409 /nfs/dbraw/zinc/33/64/09/179336409.db2.gz QKZVMGRGXKPQTI-JTQLQIEISA-N 0 3 269.146 2.304 10 0 CEAEHN CC[C@@](C)(N)C(=O)NCc1ccc(Br)s1 ZINC000086803967 179337880 /nfs/dbraw/zinc/33/78/80/179337880.db2.gz SKIUCVOYCRPAJV-SNVBAGLBSA-N 0 3 291.214 2.254 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](CC)CCC(=O)[O-])CC1 ZINC000086868858 179362103 /nfs/dbraw/zinc/36/21/03/179362103.db2.gz GSVZRTUOZJFLBD-CYBMUJFWSA-N 0 3 256.390 2.048 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](CC)CCC(=O)[O-])CC1 ZINC000086868858 179362104 /nfs/dbraw/zinc/36/21/04/179362104.db2.gz GSVZRTUOZJFLBD-CYBMUJFWSA-N 0 3 256.390 2.048 10 0 CEAEHN CC(C)N1CCC[C@H]([NH+]2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000086869071 179362343 /nfs/dbraw/zinc/36/23/43/179362343.db2.gz SWFSMAUVIXUIAG-AWEZNQCLSA-N 0 3 282.428 2.436 10 0 CEAEHN CCCN1CCC[C@H]([N@@H+]2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000086869346 179363589 /nfs/dbraw/zinc/36/35/89/179363589.db2.gz FJIBRNXCJYZHHX-ZFWWWQNUSA-N 0 3 268.401 2.190 10 0 CEAEHN CCCN1CCC[C@H]([N@H+]2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000086869346 179363590 /nfs/dbraw/zinc/36/35/90/179363590.db2.gz FJIBRNXCJYZHHX-ZFWWWQNUSA-N 0 3 268.401 2.190 10 0 CEAEHN CCC[C@@H]1CCC[C@](NCCN(C)C)(C(=O)OC)CC1 ZINC000086949891 179368564 /nfs/dbraw/zinc/36/85/64/179368564.db2.gz WFAOADSZRPTFJC-GDBMZVCRSA-N 0 3 284.444 2.430 10 0 CEAEHN CN[C@H](CCCOC)c1cc(OC)ccc1OC ZINC000086970009 179370686 /nfs/dbraw/zinc/37/06/86/179370686.db2.gz ADQIWTLIBKITSE-CYBMUJFWSA-N 0 3 253.342 2.391 10 0 CEAEHN COCCCc1nc(NN)cc(-c2ccccc2)n1 ZINC000086971445 179370813 /nfs/dbraw/zinc/37/08/13/179370813.db2.gz VYVNGXRCAQVVGU-UHFFFAOYSA-N 0 3 258.325 2.008 10 0 CEAEHN CCS(=O)(=O)CCCOc1cc(F)ccc1[C@H](C)N ZINC000086973033 179371455 /nfs/dbraw/zinc/37/14/55/179371455.db2.gz HZTZFQSXHINJIR-JTQLQIEISA-N 0 3 289.372 2.049 10 0 CEAEHN Cc1cc([C@H](N)[C@@H]2COCCO2)sc1Br ZINC000087019097 179381359 /nfs/dbraw/zinc/38/13/59/179381359.db2.gz PNSDEEJAXHEIHJ-IONNQARKSA-N 0 3 292.198 2.234 10 0 CEAEHN N[C@H]1CCCc2nc([C@@H]3CSCCO3)sc21 ZINC000086989836 179374531 /nfs/dbraw/zinc/37/45/31/179374531.db2.gz XEVWICGKOLYJOL-CBAPKCEASA-N 0 3 256.396 2.284 10 0 CEAEHN C[C@@H]1CCC[C@@](O)(CN[C@@H]2COc3cc(O)ccc32)C1 ZINC000087048647 179388205 /nfs/dbraw/zinc/38/82/05/179388205.db2.gz DNDHKMHRZQFLIP-XFJVYGCCSA-N 0 3 277.364 2.357 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2cc(OC)ccc2OC)O1 ZINC000087090348 179394329 /nfs/dbraw/zinc/39/43/29/179394329.db2.gz ZUGQZOAYRPUSMD-QMTHXVAHSA-N 0 3 251.326 2.143 10 0 CEAEHN C[C@H](O)CN1CCN(Cc2cccc3cnccc32)C[C@@H]1C ZINC000248393917 539632989 /nfs/dbraw/zinc/63/29/89/539632989.db2.gz XJRSRLRMYPRMJR-GJZGRUSLSA-N 0 3 299.418 2.122 10 0 CEAEHN CN[C@@](C)(CC(=O)OC)c1cccc(OC(F)F)c1 ZINC000087553109 179445085 /nfs/dbraw/zinc/44/50/85/179445085.db2.gz DWJODUDFYYFYEL-ZDUSSCGKSA-N 0 3 273.279 2.286 10 0 CEAEHN CC(C)(C)OC(=O)NCC[C@H]1CN(C(C)(C)C)CCO1 ZINC000616645820 348546281 /nfs/dbraw/zinc/54/62/81/348546281.db2.gz UDYZCYBXHJBNKH-LBPRGKRZSA-N 0 3 286.416 2.401 10 0 CEAEHN CCN1CCCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616649861 348547771 /nfs/dbraw/zinc/54/77/71/348547771.db2.gz MHVJTQYOYNZOHT-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN CC(C)=CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000616569784 348523530 /nfs/dbraw/zinc/52/35/30/348523530.db2.gz KEKQDCDKHUZGNN-LSDHHAIUSA-N 0 3 276.355 2.435 10 0 CEAEHN CC(C)(C)N1CCCOC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616599758 348529906 /nfs/dbraw/zinc/52/99/06/348529906.db2.gz OQJVHRBZPGASAU-CQSZACIVSA-N 0 3 276.380 2.347 10 0 CEAEHN COCCNCc1cc(Cl)ccc1OCOC ZINC000087888214 179512197 /nfs/dbraw/zinc/51/21/97/179512197.db2.gz YMFHMZXRSVUNQL-UHFFFAOYSA-N 0 3 259.733 2.059 10 0 CEAEHN CCNCc1cc(S(=O)(=O)N[C@@H](C)CC)c(C)cc1C ZINC000088978095 179689714 /nfs/dbraw/zinc/68/97/14/179689714.db2.gz XAPRDOVANCPZEC-ZDUSSCGKSA-N 0 3 298.452 2.490 10 0 CEAEHN CCc1cc(C[C@H](NC)c2ncccc2C)n(C)n1 ZINC000089193847 179749688 /nfs/dbraw/zinc/74/96/88/179749688.db2.gz LQDMFZCWXLSLRW-AWEZNQCLSA-N 0 3 258.369 2.189 10 0 CEAEHN CN1C[C@H](CNCc2csc(C(F)(F)F)c2)CC1=O ZINC000623570706 350053514 /nfs/dbraw/zinc/05/35/14/350053514.db2.gz BGKPQIAFCBCYLK-QMMMGPOBSA-N 0 3 292.326 2.335 10 0 CEAEHN C[C@@]1(c2nc3cc(F)ccc3n2C2CC2)COC[C@H]1N ZINC000090571731 180007909 /nfs/dbraw/zinc/00/79/09/180007909.db2.gz SGYDVISRESMZKC-UKRRQHHQSA-N 0 3 275.327 2.126 10 0 CEAEHN CCC(C)(C)C1CCC(NC(=O)[C@]2(C)COC[C@@H]2N)CC1 ZINC000090585345 180009072 /nfs/dbraw/zinc/00/90/72/180009072.db2.gz UBVAVMBBFSMJLF-TXBNBULBSA-N 0 3 296.455 2.461 10 0 CEAEHN CC(C)(C)c1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090586073 180009318 /nfs/dbraw/zinc/00/93/18/180009318.db2.gz FGNAAHYLPSZTQT-BBRMVZONSA-N 0 3 276.380 2.286 10 0 CEAEHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@]1(C)COC[C@@H]1N ZINC000090590677 180010066 /nfs/dbraw/zinc/01/00/66/180010066.db2.gz WLBWJPXXRQZOMS-QRTARXTBSA-N 0 3 290.407 2.178 10 0 CEAEHN CCOc1ccc(NC(=O)[C@@]2(C)COC[C@@H]2N)cc1Cl ZINC000090589797 180010122 /nfs/dbraw/zinc/01/01/22/180010122.db2.gz NEEXEJCGBJTZCB-JSGCOSHPSA-N 0 3 298.770 2.041 10 0 CEAEHN CC(C)CCCCCCNC(=O)[C@]1(C)COC[C@H]1N ZINC000090598592 180010463 /nfs/dbraw/zinc/01/04/63/180010463.db2.gz MTSAEXZCIAWOAK-UKRRQHHQSA-N 0 3 270.417 2.073 10 0 CEAEHN CCN[C@@](CO)(CO[C@H](C)C(F)(F)F)c1ccccc1 ZINC000090675980 180022602 /nfs/dbraw/zinc/02/26/02/180022602.db2.gz YXWQFZAHLQURRD-YPMHNXCESA-N 0 3 291.313 2.451 10 0 CEAEHN CNCc1c(C)nn(C[C@H]2Cc3ccccc3O2)c1C ZINC000090876341 180051951 /nfs/dbraw/zinc/05/19/51/180051951.db2.gz CYSUABUJHPLREO-CQSZACIVSA-N 0 3 271.364 2.223 10 0 CEAEHN CNCc1cnc(C)n1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895630 180056463 /nfs/dbraw/zinc/05/64/63/180056463.db2.gz BZBCWWWEQNPBTN-CQSZACIVSA-N 0 3 275.327 2.054 10 0 CEAEHN Cc1ccc2c(c1)C[C@H](CNCc1cnc(C)cn1)O2 ZINC000090897968 180057257 /nfs/dbraw/zinc/05/72/57/180057257.db2.gz NTOZBRKPWOSMOD-OAHLLOKOSA-N 0 3 269.348 2.187 10 0 CEAEHN NC[C@@H](c1ccc(Cl)s1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905602 180059622 /nfs/dbraw/zinc/05/96/22/180059622.db2.gz NFKPKBDBXWFFOC-AEJSXWLSSA-N 0 3 272.801 2.265 10 0 CEAEHN CN[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1cc(C)ccc1OC ZINC000090906134 180060712 /nfs/dbraw/zinc/06/07/12/180060712.db2.gz AQCYVJLLFYJZNX-LZWOXQAQSA-N 0 3 290.407 2.127 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2csc([C@H](C)N)n2)CC1 ZINC000090958536 180074488 /nfs/dbraw/zinc/07/44/88/180074488.db2.gz BRXJHBDWVLYALA-RYUDHWBXSA-N 0 3 282.457 2.079 10 0 CEAEHN CO[C@H]1CCC[C@@H]1NCc1sccc1NC(C)=O ZINC000090960556 180075339 /nfs/dbraw/zinc/07/53/39/180075339.db2.gz JFBJIKBBTBHOHF-JQWIXIFHSA-N 0 3 268.382 2.364 10 0 CEAEHN CC(=O)Nc1ccccc1CN[C@H]1CCCC[C@H]1O ZINC000090962552 180077500 /nfs/dbraw/zinc/07/75/00/180077500.db2.gz FIIQYXDYXLZMOV-LSDHHAIUSA-N 0 3 262.353 2.038 10 0 CEAEHN CC(C)c1nc(Cn2cccc2CNC2CC2)no1 ZINC000091001475 180083328 /nfs/dbraw/zinc/08/33/28/180083328.db2.gz YHBMQADNHFTRLQ-UHFFFAOYSA-N 0 3 260.341 2.295 10 0 CEAEHN CCCn1ccc(CNCCCC(=O)OCC)c1 ZINC000091015893 180086472 /nfs/dbraw/zinc/08/64/72/180086472.db2.gz MNRZVUFRBKMRHV-UHFFFAOYSA-N 0 3 252.358 2.331 10 0 CEAEHN CCn1cccc1CNC[C@@H]1COc2ccccc2O1 ZINC000091022965 180088735 /nfs/dbraw/zinc/08/87/35/180088735.db2.gz CUQZFBKBBKRICA-CQSZACIVSA-N 0 3 272.348 2.438 10 0 CEAEHN Cc1cc2nc(C[C@H]3CSCCN3)[nH]c2cc1C ZINC000091128647 180100301 /nfs/dbraw/zinc/10/03/01/180100301.db2.gz SMIHNWMRBIAPTG-NSHDSACASA-N 0 3 261.394 2.427 10 0 CEAEHN COc1ccc(-n2ncc(CN)c2C(F)F)cc1 ZINC000091338747 180136490 /nfs/dbraw/zinc/13/64/90/180136490.db2.gz DNXXBIURKQTPRE-UHFFFAOYSA-N 0 3 253.252 2.277 10 0 CEAEHN Cc1ccnc(Cl)c1NC(=O)C[C@H]1CSCCN1 ZINC000091291780 180122621 /nfs/dbraw/zinc/12/26/21/180122621.db2.gz QVFBQNCSNZGTGO-VIFPVBQESA-N 0 3 285.800 2.077 10 0 CEAEHN CCC(CC)[C@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000091291468 180122896 /nfs/dbraw/zinc/12/28/96/180122896.db2.gz CICJFJOZHXPCBB-JQWIXIFHSA-N 0 3 258.431 2.022 10 0 CEAEHN CNCc1cncc(Oc2ccc(F)c(F)c2)n1 ZINC000091434963 180154278 /nfs/dbraw/zinc/15/42/78/180154278.db2.gz AUYCIIKKJNIYCW-UHFFFAOYSA-N 0 3 251.236 2.267 10 0 CEAEHN CNCc1cncc(OCc2ccccc2Cl)n1 ZINC000091433518 180154437 /nfs/dbraw/zinc/15/44/37/180154437.db2.gz AGEYXOBJCOSDHW-UHFFFAOYSA-N 0 3 263.728 2.428 10 0 CEAEHN C[C@@H](C(=O)c1ccccc1)N1CCC[C@H](N(C)C)C1 ZINC000091394782 180146556 /nfs/dbraw/zinc/14/65/56/180146556.db2.gz OLCYPQUEQBJHGH-ZFWWWQNUSA-N 0 3 260.381 2.284 10 0 CEAEHN C[C@H](O)C(C)(C)CN1CCN(Cc2ccccc2)CC1 ZINC000091405643 180147720 /nfs/dbraw/zinc/14/77/20/180147720.db2.gz IKBAIMXHFFRXEQ-HNNXBMFYSA-N 0 3 276.424 2.211 10 0 CEAEHN C[C@@H](c1ccccc1F)N(C)c1cncc(CN)n1 ZINC000091421290 180150937 /nfs/dbraw/zinc/15/09/37/180150937.db2.gz NWCCEDROLXRVIB-JTQLQIEISA-N 0 3 260.316 2.272 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)N(C)C2CC2)o1 ZINC000105087027 186040454 /nfs/dbraw/zinc/04/04/54/186040454.db2.gz IADNSBCEAPFQJA-PWSUYJOCSA-N 0 3 279.384 2.431 10 0 CEAEHN CN[C@H](c1c(F)cccc1F)C(C)(C)N1CCOCC1 ZINC000091566554 180194233 /nfs/dbraw/zinc/19/42/33/180194233.db2.gz GFTHGPZTQYKQBE-CQSZACIVSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCn1ccnc1[C@@H](NC)[C@@](C)(CC)N(C)C ZINC000091570785 180195642 /nfs/dbraw/zinc/19/56/42/180195642.db2.gz XDPVQLMXAYOZOU-TZMCWYRMSA-N 0 3 252.406 2.284 10 0 CEAEHN CCCc1nn(C)c(NC[C@H](C)N2CCCCC2)c1N ZINC000091579133 180198237 /nfs/dbraw/zinc/19/82/37/180198237.db2.gz ZKLRUHUUIOGNKC-LBPRGKRZSA-N 0 3 279.432 2.241 10 0 CEAEHN CC(C)c1nn(C)c(N[C@@H](C)CN2CCCC2)c1N ZINC000091580867 180198873 /nfs/dbraw/zinc/19/88/73/180198873.db2.gz XVWJFMPMTKRXRN-NSHDSACASA-N 0 3 265.405 2.022 10 0 CEAEHN CC[C@@](C)([C@@H](O)Cc1ccc(C)cc1)N1CCOCC1 ZINC000091611327 180206183 /nfs/dbraw/zinc/20/61/83/180206183.db2.gz UFJYYANPWVCQAQ-IRXDYDNUSA-N 0 3 277.408 2.399 10 0 CEAEHN CC[C@](C)([C@@H](N)c1ccccc1OC)N1CCOCC1 ZINC000091611636 180206211 /nfs/dbraw/zinc/20/62/11/180206211.db2.gz GUYZWWOGEOVYER-JKSUJKDBSA-N 0 3 278.396 2.196 10 0 CEAEHN CC[C@](C)([C@H](O)CC1CCCC1)N1CCOCC1 ZINC000091611214 180206383 /nfs/dbraw/zinc/20/63/83/180206383.db2.gz AKXASBBTILOFLN-HUUCEWRRSA-N 0 3 255.402 2.429 10 0 CEAEHN CCN(CC)C1([C@@H](NC)c2nccn2C)CCCC1 ZINC000091639488 180212270 /nfs/dbraw/zinc/21/22/70/180212270.db2.gz YCBWUVYPOWCCMM-ZDUSSCGKSA-N 0 3 264.417 2.335 10 0 CEAEHN COc1cccc([C@H](N)C2(N3CCOCC3)CCCC2)c1 ZINC000091642885 180214166 /nfs/dbraw/zinc/21/41/66/180214166.db2.gz GSKCBJMFSFBFPK-INIZCTEOSA-N 0 3 290.407 2.340 10 0 CEAEHN CC(C)n1ncnc1CC(=O)C1(N(C)C)CCCCC1 ZINC000091646520 180215268 /nfs/dbraw/zinc/21/52/68/180215268.db2.gz UOLGOQAQJZTDJU-UHFFFAOYSA-N 0 3 278.400 2.235 10 0 CEAEHN CN[C@@H](c1cnccn1)C1(N(C)C)CCCCCC1 ZINC000091654416 180216974 /nfs/dbraw/zinc/21/69/74/180216974.db2.gz PYGDRKBCYROPII-AWEZNQCLSA-N 0 3 262.401 2.392 10 0 CEAEHN CCCN(CCN(C)C)c1nc(Cl)ncc1C ZINC000091658824 180218244 /nfs/dbraw/zinc/21/82/44/180218244.db2.gz PHARWFBEFOSIBB-UHFFFAOYSA-N 0 3 256.781 2.216 10 0 CEAEHN Cc1cnc(Cl)nc1N1CC[C@H](N2CCCC2)C1 ZINC000091659079 180218818 /nfs/dbraw/zinc/21/88/18/180218818.db2.gz SYKITFVQBPWFCD-NSHDSACASA-N 0 3 266.776 2.113 10 0 CEAEHN Cc1nc(NC[C@H]2CN3CCC[C@@H]3CO2)sc1C ZINC000091672620 180223866 /nfs/dbraw/zinc/22/38/66/180223866.db2.gz ALRZXJDMFQUQJV-NEPJUHHUSA-N 0 3 267.398 2.035 10 0 CEAEHN Cc1ccc([C@H](O)[C@@H]2CN3CCC[C@@H]3CO2)c(C)c1 ZINC000091715622 180232115 /nfs/dbraw/zinc/23/21/15/180232115.db2.gz GFMDKIGRARWBTQ-KBMXLJTQSA-N 0 3 261.365 2.200 10 0 CEAEHN CCCN[C@@H](c1ccccc1OC)[C@H]1CN(C)CCO1 ZINC000091718988 180233534 /nfs/dbraw/zinc/23/35/34/180233534.db2.gz RXMZTKJEGSACFW-CVEARBPZSA-N 0 3 278.396 2.067 10 0 CEAEHN CCCN[C@H](c1cccs1)[C@H]1CN(C)CCO1 ZINC000091719541 180234369 /nfs/dbraw/zinc/23/43/69/180234369.db2.gz WKPLMHNIAGTBPN-YPMHNXCESA-N 0 3 254.399 2.119 10 0 CEAEHN CCN[C@H]1CC(C)(C)Cc2nc(CN(C)C)ncc21 ZINC000091722681 180239649 /nfs/dbraw/zinc/23/96/49/180239649.db2.gz CFTYQNTVKBSSOM-LBPRGKRZSA-N 0 3 262.401 2.161 10 0 CEAEHN CN[C@H](c1ccc(F)cc1F)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091720938 180236567 /nfs/dbraw/zinc/23/65/67/180236567.db2.gz AUIQFEHXSVSXGR-BYCMXARLSA-N 0 3 282.334 2.089 10 0 CEAEHN C[C@H](N)c1cccn1CC(=O)Nc1ccccc1F ZINC000091800079 180259389 /nfs/dbraw/zinc/25/93/89/180259389.db2.gz QOBRWDUSNRIULB-JTQLQIEISA-N 0 3 261.300 2.286 10 0 CEAEHN CCCNCc1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000091722562 180240085 /nfs/dbraw/zinc/24/00/85/180240085.db2.gz HKOMTIPUPYBVDA-OLZOCXBDSA-N 0 3 281.425 2.178 10 0 CEAEHN CCN[C@H](C)c1cnc([C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000091722495 180240674 /nfs/dbraw/zinc/24/06/74/180240674.db2.gz OCQAPQAATZLVQF-UTUOFQBUSA-N 0 3 281.425 2.349 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@H]2C[C@H](OC)C2)c1C ZINC000624298703 350255068 /nfs/dbraw/zinc/25/50/68/350255068.db2.gz XSEFVGISAZOHBX-XDTLVQLUSA-N 0 3 251.374 2.348 10 0 CEAEHN CCCn1cncc1CN(C)C1CCC2(CC1)OCCO2 ZINC000091853678 180273542 /nfs/dbraw/zinc/27/35/42/180273542.db2.gz XGBJWFZOBIHRNE-UHFFFAOYSA-N 0 3 293.411 2.411 10 0 CEAEHN C[C@@]1(c2nc3ccc(F)cc3s2)COC[C@@H]1N ZINC000091939626 180289610 /nfs/dbraw/zinc/28/96/10/180289610.db2.gz SAMKPPORSFOBGZ-CMPLNLGQSA-N 0 3 252.314 2.051 10 0 CEAEHN C[C@H]1CCCN(C(=O)N[C@H](CN)c2ccccc2)C1 ZINC000091972832 180296016 /nfs/dbraw/zinc/29/60/16/180296016.db2.gz DQGCNFSYFABYFK-GXTWGEPZSA-N 0 3 261.369 2.128 10 0 CEAEHN C[C@@H]1CCCN(C(=O)N2CCNCC23CCCCC3)C1 ZINC000091991391 180299820 /nfs/dbraw/zinc/29/98/20/180299820.db2.gz CFPGPUMXPGNAHI-CQSZACIVSA-N 0 3 279.428 2.446 10 0 CEAEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2n2ccnc2)n1 ZINC000091994159 180301080 /nfs/dbraw/zinc/30/10/80/180301080.db2.gz ZJHBQIVWUYZJRG-OCCSQVGLSA-N 0 3 272.352 2.176 10 0 CEAEHN CCNCc1nc(C)ccc1O[C@@H](C)C(=O)N(CC)CC ZINC000091994663 180301415 /nfs/dbraw/zinc/30/14/15/180301415.db2.gz FRSIBYBJQWHSPH-ZDUSSCGKSA-N 0 3 293.411 2.135 10 0 CEAEHN Cc1ccc(OCC(=O)NC(C)(C)C)c(CNC(C)C)n1 ZINC000091995579 180301864 /nfs/dbraw/zinc/30/18/64/180301864.db2.gz LOADMOAFYVVVMG-UHFFFAOYSA-N 0 3 293.411 2.182 10 0 CEAEHN CCCNCc1nc(C)ccc1OC[C@@H](O)CC ZINC000091995154 180302229 /nfs/dbraw/zinc/30/22/29/180302229.db2.gz XTPZIHGEPGAXMR-LBPRGKRZSA-N 0 3 252.358 2.039 10 0 CEAEHN Cc1ccc(OCc2cncn2C)c(CNC(C)C)n1 ZINC000091995404 180302554 /nfs/dbraw/zinc/30/25/54/180302554.db2.gz FZUDZAHUJBYINL-UHFFFAOYSA-N 0 3 274.368 2.201 10 0 CEAEHN Cc1ccc([O-])c(CN2CCC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000091996088 180302568 /nfs/dbraw/zinc/30/25/68/180302568.db2.gz OBDSOZFDDJPNSF-AWEZNQCLSA-N 0 3 277.412 2.306 10 0 CEAEHN CCCCN(CC)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115519 180327278 /nfs/dbraw/zinc/32/72/78/180327278.db2.gz JXUSQRFTKMOLCC-UHFFFAOYSA-N 0 3 288.388 2.095 10 0 CEAEHN COc1cccc([C@H](CN)N2C[C@H](C)[C@H](C)C2)c1OC ZINC000092082799 180319417 /nfs/dbraw/zinc/31/94/17/180319417.db2.gz OQNJSUNWGCTGTQ-SCRDCRAPSA-N 0 3 278.396 2.291 10 0 CEAEHN Cc1nn(C)c(N2C[C@H](C)[C@H](C)C2)c1CNC1CC1 ZINC000092086718 180320148 /nfs/dbraw/zinc/32/01/48/180320148.db2.gz CLVYUHLTWSZSES-PHIMTYICSA-N 0 3 262.401 2.073 10 0 CEAEHN CCNCc1ccnn1C[C@@H]1COc2ccccc21 ZINC000092306712 180360186 /nfs/dbraw/zinc/36/01/86/180360186.db2.gz BGXDOSXZDGASIS-GFCCVEGCSA-N 0 3 257.337 2.169 10 0 CEAEHN CSc1ccccc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000092232192 180348783 /nfs/dbraw/zinc/34/87/83/180348783.db2.gz QPQOBGGCZXAXKN-GHMZBOCLSA-N 0 3 264.394 2.231 10 0 CEAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)cc1 ZINC000105871171 186081016 /nfs/dbraw/zinc/08/10/16/186081016.db2.gz VELJRYFZBKWPIZ-GWCFXTLKSA-N 0 3 260.316 2.083 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(Cl)nc2)CCN1C[C@@H](C)O ZINC000105826681 186073373 /nfs/dbraw/zinc/07/33/73/186073373.db2.gz ZQIPUCXEBVVBQH-OCCSQVGLSA-N 0 3 297.830 2.012 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(Cl)nc2)CCN1C[C@@H](C)O ZINC000105826678 186074636 /nfs/dbraw/zinc/07/46/36/186074636.db2.gz ZQIPUCXEBVVBQH-TZMCWYRMSA-N 0 3 297.830 2.012 10 0 CEAEHN CCCCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105820629 186074958 /nfs/dbraw/zinc/07/49/58/186074958.db2.gz DHZNJOSOISRFTG-MRXNPFEDSA-N 0 3 262.397 2.138 10 0 CEAEHN CCOCCN1CCN(CCc2ccccc2)C[C@@H]1C ZINC000105834966 186076317 /nfs/dbraw/zinc/07/63/17/186076317.db2.gz BMRHUFNZVVEBSQ-INIZCTEOSA-N 0 3 276.424 2.272 10 0 CEAEHN CCNCc1nccn1C[C@H]1COc2ccccc21 ZINC000092304785 180360025 /nfs/dbraw/zinc/36/00/25/180360025.db2.gz UENVJHFHVTUVHD-LBPRGKRZSA-N 0 3 257.337 2.169 10 0 CEAEHN CCOc1cc(CNCCn2cc(C)cn2)ccc1OC ZINC000105908775 186088400 /nfs/dbraw/zinc/08/84/00/186088400.db2.gz WMYMQUBECAGTRD-UHFFFAOYSA-N 0 3 289.379 2.389 10 0 CEAEHN CCOCCN1CCN(CCCOC(C)C)C[C@@H]1CC ZINC000105914806 186090013 /nfs/dbraw/zinc/09/00/13/186090013.db2.gz SAHDJRZQBURDNG-INIZCTEOSA-N 0 3 286.460 2.234 10 0 CEAEHN COCCN1CCN([C@@H](C)c2ccccc2)C[C@@H]1C ZINC000106110138 186102466 /nfs/dbraw/zinc/10/24/66/186102466.db2.gz KJSBMXYEYWIDLW-GJZGRUSLSA-N 0 3 262.397 2.400 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)cc2)CCN1CCOC ZINC000106113386 186102892 /nfs/dbraw/zinc/10/28/92/186102892.db2.gz NGVAHFUXQRLZTN-INIZCTEOSA-N 0 3 280.387 2.368 10 0 CEAEHN CCOCCN(CC)[C@@H]1CCc2ccc(OC)cc2[C@@H]1O ZINC000092387956 180374481 /nfs/dbraw/zinc/37/44/81/180374481.db2.gz AKVRPRRMHKRNAE-SJORKVTESA-N 0 3 293.407 2.402 10 0 CEAEHN CC(C)[C@H]1CSC(N[C@@H](C)CN2CCCC2)=N1 ZINC000092402318 180377845 /nfs/dbraw/zinc/37/78/45/180377845.db2.gz SHPDUTRRQODYAY-NWDGAFQWSA-N 0 3 255.431 2.188 10 0 CEAEHN Nc1ccnc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000092419390 180382022 /nfs/dbraw/zinc/38/20/22/180382022.db2.gz ANVHTHXWPJXYMT-SECBINFHSA-N 0 3 259.275 2.438 10 0 CEAEHN CCCC[C@H](C)N[C@H]1CC(=O)N([C@@H](C)CC)C1=O ZINC000106785140 186135640 /nfs/dbraw/zinc/13/56/40/186135640.db2.gz FKFPNHRDNAEJKG-SRVKXCTJSA-N 0 3 254.374 2.081 10 0 CEAEHN CCOCCO[C@@H]1CCc2ccc(OC)cc2[C@H]1NC ZINC000092386390 180373409 /nfs/dbraw/zinc/37/34/09/180373409.db2.gz AZVXEAARFGCLPV-HZPDHXFCSA-N 0 3 279.380 2.324 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H]1CCc2ccc(OC)cc2[C@@H]1N ZINC000092385608 180373952 /nfs/dbraw/zinc/37/39/52/180373952.db2.gz TXBWKBFOYNYEAZ-XYPHTWIQSA-N 0 3 290.407 2.121 10 0 CEAEHN CC(C)(C)NCC(=O)Nc1cc(F)cc(F)c1F ZINC000092461160 180390216 /nfs/dbraw/zinc/39/02/16/180390216.db2.gz ADRRTBAWHWJVGB-UHFFFAOYSA-N 0 3 260.259 2.431 10 0 CEAEHN C[C@H](C(=O)N1CC[C@H](N(C)C)C1)c1ccccc1F ZINC000108994232 186240202 /nfs/dbraw/zinc/24/02/02/186240202.db2.gz HCNLDFGRXQDNDL-RYUDHWBXSA-N 0 3 264.344 2.092 10 0 CEAEHN CC[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(C)cc1 ZINC000109041118 186240708 /nfs/dbraw/zinc/24/07/08/186240708.db2.gz BLYNBHPJWQZECU-AWEZNQCLSA-N 0 3 298.452 2.364 10 0 CEAEHN Cc1ccc(C)c([C@@H](C)NCC(C)(C)NS(C)(=O)=O)c1 ZINC000109041974 186241431 /nfs/dbraw/zinc/24/14/31/186241431.db2.gz IRDAXMITRAQNMJ-CYBMUJFWSA-N 0 3 298.452 2.282 10 0 CEAEHN CN1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000109081783 186242668 /nfs/dbraw/zinc/24/26/68/186242668.db2.gz JQWDKRBOLVVEGB-STQMWFEESA-N 0 3 294.345 2.279 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@@H](N[C@@H](C)Cc2ccccc2)C1=O ZINC000108859488 186233961 /nfs/dbraw/zinc/23/39/61/186233961.db2.gz MBYRXGGHLWUDOB-KCQAQPDRSA-N 0 3 288.391 2.133 10 0 CEAEHN C[C@H](N)c1c(F)cccc1N1CCCO[C@H](C)C1 ZINC000109571825 186264276 /nfs/dbraw/zinc/26/42/76/186264276.db2.gz HPHKLHNUPHUTRV-MNOVXSKESA-N 0 3 252.333 2.461 10 0 CEAEHN Cc1cc(C)cc(CN2CCN([C@H](C)C(N)=S)CC2)c1 ZINC000109468512 186253853 /nfs/dbraw/zinc/25/38/53/186253853.db2.gz ZXCWOTDFTOBRCO-CQSZACIVSA-N 0 3 291.464 2.096 10 0 CEAEHN CCOC(=O)[C@](C)(CN(CCC(C)C)C1CC1)NC ZINC000109956390 186280915 /nfs/dbraw/zinc/28/09/15/186280915.db2.gz JULAWLWEUIGNJK-HNNXBMFYSA-N 0 3 270.417 2.038 10 0 CEAEHN CCN[C@](C)(CN(CCC(C)C)C1CC1)C(=O)OC ZINC000109956405 186281468 /nfs/dbraw/zinc/28/14/68/186281468.db2.gz UKZBRBAZDMIECS-OAHLLOKOSA-N 0 3 270.417 2.038 10 0 CEAEHN CCOc1cc(N(C)[C@H]2CCCN(C)C2)c(N)cc1F ZINC000110634545 186307330 /nfs/dbraw/zinc/30/73/30/186307330.db2.gz ORZBLZQENJPVQN-NSHDSACASA-N 0 3 281.375 2.337 10 0 CEAEHN CCCN[C@@H](C)c1ccc(C)cc1OCCS(C)(=O)=O ZINC000110961434 186337355 /nfs/dbraw/zinc/33/73/55/186337355.db2.gz BCLNOLMBMUNAGJ-ZDUSSCGKSA-N 0 3 299.436 2.479 10 0 CEAEHN C[C@@H]1C[C@H]1c1ccc([C@@H](CN)N2CCN(C)C(C)(C)C2)o1 ZINC000110711879 186316447 /nfs/dbraw/zinc/31/64/47/186316447.db2.gz VEFYOWMIGCXNSZ-MGPQQGTHSA-N 0 3 291.439 2.429 10 0 CEAEHN CN(C)c1ccc2nc(-c3ccncc3)c(N)n2c1 ZINC000110782772 186324732 /nfs/dbraw/zinc/32/47/32/186324732.db2.gz FYOOKRHMFPKHQJ-UHFFFAOYSA-N 0 3 253.309 2.045 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2cccc(F)c2F)CCO1 ZINC000111039270 186346616 /nfs/dbraw/zinc/34/66/16/186346616.db2.gz WJYZMMDKSPEVLH-GWCFXTLKSA-N 0 3 270.323 2.075 10 0 CEAEHN CCN1CCC[C@@H](Nc2ccc(F)cc2C(N)=S)C1 ZINC000111031056 186347300 /nfs/dbraw/zinc/34/73/00/186347300.db2.gz UHIJDJURCNLNON-LLVKDONJSA-N 0 3 281.400 2.356 10 0 CEAEHN CCCNc1ccc(C)cc1C(=O)N(C)CCN(C)C ZINC000111151667 186360531 /nfs/dbraw/zinc/36/05/31/186360531.db2.gz IJWKJKAKIHSZNV-UHFFFAOYSA-N 0 3 277.412 2.451 10 0 CEAEHN CCCOCCOCCCC(=O)Nc1ccccc1CN ZINC000111106476 186352689 /nfs/dbraw/zinc/35/26/89/186352689.db2.gz NTHVUYOPXGHCDA-UHFFFAOYSA-N 0 3 294.395 2.307 10 0 CEAEHN CCOCCN(CC)c1nc2c(cc1CN)CCCC2 ZINC000111116264 186353295 /nfs/dbraw/zinc/35/32/95/186353295.db2.gz XGBZXSMKAZALGI-UHFFFAOYSA-N 0 3 277.412 2.282 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N(CC)CCOCC ZINC000111118800 186354384 /nfs/dbraw/zinc/35/43/84/186354384.db2.gz IJRQABORGDIOBJ-WBVHZDCISA-N 0 3 292.423 2.457 10 0 CEAEHN CCn1c(C)cc(C(=O)CN(C)CCCN(C)C)c1C ZINC000111139901 186357954 /nfs/dbraw/zinc/35/79/54/186357954.db2.gz WBAVOAQPXUXDDC-UHFFFAOYSA-N 0 3 279.428 2.191 10 0 CEAEHN CN(CC1CCOCC1)c1ccc(Cl)c(CN)n1 ZINC000111174405 186365232 /nfs/dbraw/zinc/36/52/32/186365232.db2.gz AQHGYDMHNRMPMB-UHFFFAOYSA-N 0 3 269.776 2.057 10 0 CEAEHN Cc1nc(Cl)c(C)c(N[C@@H]2CN3CCC2CC3)n1 ZINC000111295897 186391990 /nfs/dbraw/zinc/39/19/90/186391990.db2.gz NDCPNWHABPQOHO-LLVKDONJSA-N 0 3 266.776 2.253 10 0 CEAEHN CCc1c(Cl)ncnc1OCCN1CCCC1 ZINC000111294091 186392019 /nfs/dbraw/zinc/39/20/19/186392019.db2.gz JLUXLKBWWBHMKP-UHFFFAOYSA-N 0 3 255.749 2.167 10 0 CEAEHN C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000112046185 186468974 /nfs/dbraw/zinc/46/89/74/186468974.db2.gz URKMVWUPXADYHW-HIFRSBDPSA-N 0 3 260.381 2.028 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2ccc(Br)cn2)C1 ZINC000069938654 363014938 /nfs/dbraw/zinc/01/49/38/363014938.db2.gz PNARKODXGCRHSG-ZYHUDNBSSA-N 0 3 285.185 2.237 10 0 CEAEHN Cc1ccccc1-c1cc2c(N3CCNCC3)nccn2n1 ZINC000070459159 363087279 /nfs/dbraw/zinc/08/72/79/363087279.db2.gz OGXOYBIXJNESFA-UHFFFAOYSA-N 0 3 293.374 2.114 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)C1CCOCC1 ZINC000123071976 187069234 /nfs/dbraw/zinc/06/92/34/187069234.db2.gz DGBDHYHDQBSONU-DZGCQCFKSA-N 0 3 284.444 2.142 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2cccc(C)c2C)CC1 ZINC000123531078 187096680 /nfs/dbraw/zinc/09/66/80/187096680.db2.gz ZBMLKHCCLZSMJS-KRWDZBQOSA-N 0 3 276.424 2.192 10 0 CEAEHN NCc1ccnc(-c2ccc(Br)s2)n1 ZINC000070598036 363101066 /nfs/dbraw/zinc/10/10/66/363101066.db2.gz QRRVTRJRNUDNTA-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(C)cc2OC)C1 ZINC000252743629 539897778 /nfs/dbraw/zinc/89/77/78/539897778.db2.gz QBBHCEYBXBFKMS-CABCVRRESA-N 0 3 292.423 2.375 10 0 CEAEHN CN(C)C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)CCO1 ZINC000156639950 188273828 /nfs/dbraw/zinc/27/38/28/188273828.db2.gz FHQSUZGIMBJHPL-GFCCVEGCSA-N 0 3 286.778 2.242 10 0 CEAEHN C[C@H](C[C@@H]1COCCN1)N[C@H](C)c1cc(F)ccc1F ZINC000252972146 540011664 /nfs/dbraw/zinc/01/16/64/540011664.db2.gz YYSXJAJBJREJRL-NQBHXWOUSA-N 0 3 284.350 2.382 10 0 CEAEHN Fc1ccc2c(c1)[C@H](N[C@H]1CCc3ncnn3C1)CC2 ZINC000175010513 283007611 /nfs/dbraw/zinc/00/76/11/283007611.db2.gz TUAZSONIZZTOHB-GXTWGEPZSA-N 0 3 272.327 2.009 10 0 CEAEHN Cc1cc(Br)c(F)c2cc(CN)c(=O)[nH]c12 ZINC000675070025 540111694 /nfs/dbraw/zinc/11/16/94/540111694.db2.gz ONHKUKCERYHAMW-UHFFFAOYSA-N 0 3 285.116 2.197 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(c2ccsn2)=C[C@H](N)C1 ZINC000675078792 540118895 /nfs/dbraw/zinc/11/88/95/540118895.db2.gz SOWJFNQSONHHCN-JTQLQIEISA-N 0 3 281.381 2.105 10 0 CEAEHN CC[C@@](C)(N)c1ccc(I)cn1 ZINC000575557858 366296594 /nfs/dbraw/zinc/29/65/94/366296594.db2.gz ABFJRFRVXJOVNP-SECBINFHSA-N 0 3 276.121 2.270 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C)C(C)C ZINC000079122292 363580834 /nfs/dbraw/zinc/58/08/34/363580834.db2.gz DIQSQADQQLYHRL-OLZOCXBDSA-N 0 3 257.422 2.306 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1cccc(OC)c1 ZINC000176963775 189017751 /nfs/dbraw/zinc/01/77/51/189017751.db2.gz XTZKFTDBGNASRK-HNNXBMFYSA-N 0 3 290.407 2.180 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC000176980991 189018417 /nfs/dbraw/zinc/01/84/17/189018417.db2.gz PQUFPAJPWDRXLW-NSHDSACASA-N 0 3 267.398 2.008 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccnc(SC)c1 ZINC000176980556 189018777 /nfs/dbraw/zinc/01/87/77/189018777.db2.gz POGAVTMXFXTQMP-CYBMUJFWSA-N 0 3 293.436 2.360 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC000176997088 189020151 /nfs/dbraw/zinc/02/01/51/189020151.db2.gz COTKVFNXBUZKSK-SNVBAGLBSA-N 0 3 270.760 2.489 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccncc1 ZINC000177024982 189021779 /nfs/dbraw/zinc/02/17/79/189021779.db2.gz BRPGNUYYMWYFPS-ZDUSSCGKSA-N 0 3 262.357 2.030 10 0 CEAEHN CCC[C@@H](N)C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000236982924 370671080 /nfs/dbraw/zinc/67/10/80/370671080.db2.gz KGLDHIMIEYIQRU-CMPLNLGQSA-N 0 3 294.399 2.422 10 0 CEAEHN O=C1NCC[C@H]1NC1CC(c2cccc(Cl)c2)C1 ZINC000676234674 540907577 /nfs/dbraw/zinc/90/75/77/540907577.db2.gz JBPKFGIVGOMGSG-KGPNIALWSA-N 0 3 264.756 2.064 10 0 CEAEHN Cc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1F ZINC000179999848 189231445 /nfs/dbraw/zinc/23/14/45/189231445.db2.gz HNPUHSMDNVTSNA-LLVKDONJSA-N 0 3 265.332 2.302 10 0 CEAEHN CCn1nccc1CN1CCC[C@@H]1Cn1ccnc1C ZINC000180126854 189238379 /nfs/dbraw/zinc/23/83/79/189238379.db2.gz ORBDNEZALURCFF-CQSZACIVSA-N 0 3 273.384 2.073 10 0 CEAEHN Cc1cc(F)ccc1CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000180231127 189245153 /nfs/dbraw/zinc/24/51/53/189245153.db2.gz GIBUDWHDYJLRCR-WMLDXEAASA-N 0 3 292.398 2.287 10 0 CEAEHN CC(C)C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccccn1 ZINC000180597771 189264804 /nfs/dbraw/zinc/26/48/04/189264804.db2.gz QDYPTZIXCHKATH-UKRRQHHQSA-N 0 3 285.395 2.365 10 0 CEAEHN Cc1cccnc1CN1CC[C@H](c2cnn(C)c2)C1 ZINC000180498997 189258838 /nfs/dbraw/zinc/25/88/38/189258838.db2.gz RCPYLYAGGYBZLG-ZDUSSCGKSA-N 0 3 256.353 2.113 10 0 CEAEHN COc1ccc([C@H](C)NCC[C@@H]2CCOC2=O)cc1OC ZINC000180886443 189281832 /nfs/dbraw/zinc/28/18/32/189281832.db2.gz JXJMORUKOWSUHY-NWDGAFQWSA-N 0 3 293.363 2.308 10 0 CEAEHN CCC(CC)CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000153911864 366744057 /nfs/dbraw/zinc/74/40/57/366744057.db2.gz GHSWPAAWDFWPSX-OAHLLOKOSA-N 0 3 265.401 2.329 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000082284810 363758867 /nfs/dbraw/zinc/75/88/67/363758867.db2.gz IEVZECLDORKJGM-SNVBAGLBSA-N 0 3 252.745 2.116 10 0 CEAEHN OCCNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000083397002 363771588 /nfs/dbraw/zinc/77/15/88/363771588.db2.gz OGVTVBAKXYMZFB-UHFFFAOYSA-N 0 3 253.651 2.441 10 0 CEAEHN CCCCOCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000083705054 363784978 /nfs/dbraw/zinc/78/49/78/363784978.db2.gz UVNGUTXYOGQRAX-LSDHHAIUSA-N 0 3 254.418 2.362 10 0 CEAEHN Cc1cccc2c(NC[C@@H](O)c3cnn(C)c3)ccnc12 ZINC000301678313 201132917 /nfs/dbraw/zinc/13/29/17/201132917.db2.gz QYCMHPSVIHRDQW-OAHLLOKOSA-N 0 3 282.347 2.422 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000019424168 361534955 /nfs/dbraw/zinc/53/49/55/361534955.db2.gz FNJYUMFEZCGETN-QMTHXVAHSA-N 0 3 278.352 2.160 10 0 CEAEHN O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccc(Cl)cc1 ZINC000023249605 361595945 /nfs/dbraw/zinc/59/59/45/361595945.db2.gz ZIDPSLGTDQXIGS-CQSZACIVSA-N 0 3 293.798 2.059 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nnsc1Cl ZINC000092628238 364090265 /nfs/dbraw/zinc/09/02/65/364090265.db2.gz ZUZHHBJJDDNJKN-VIFPVBQESA-N 0 3 274.821 2.108 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc2[nH]cnc2c1 ZINC000092667313 364096371 /nfs/dbraw/zinc/09/63/71/364096371.db2.gz NBVXAOQNEKPYGH-CYBMUJFWSA-N 0 3 286.379 2.119 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccc(F)c1N ZINC000156399319 366832412 /nfs/dbraw/zinc/83/24/12/366832412.db2.gz JBFFCFNERCOWRT-TZMCWYRMSA-N 0 3 277.387 2.467 10 0 CEAEHN Cn1cc([C@H]2CCN(CCOc3cccc(F)c3)C2)cn1 ZINC000116315751 365049910 /nfs/dbraw/zinc/04/99/10/365049910.db2.gz QKQZGXZGPKWAMF-ZDUSSCGKSA-N 0 3 289.354 2.428 10 0 CEAEHN COc1csc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000159047079 366871875 /nfs/dbraw/zinc/87/18/75/366871875.db2.gz YLABZVDWZLBNEV-PWSUYJOCSA-N 0 3 282.409 2.215 10 0 CEAEHN CCc1noc([C@H](C)N2CCN(C[C@H](C)CC)CC2)n1 ZINC000120502612 365434437 /nfs/dbraw/zinc/43/44/37/365434437.db2.gz ZQQOEYVYFMTHSR-OLZOCXBDSA-N 0 3 280.416 2.357 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1coc2ccccc12 ZINC000336173452 365511497 /nfs/dbraw/zinc/51/14/97/365511497.db2.gz LKHGQTBFEVLRQT-ZWNOBZJWSA-N 0 3 258.321 2.190 10 0 CEAEHN COCCN1CCN(C/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000120829742 365480763 /nfs/dbraw/zinc/48/07/63/365480763.db2.gz ZOSCPZKEWCKGNM-BWPKMQGJSA-N 0 3 292.398 2.491 10 0 CEAEHN CC[C@@H]1CN(Cc2ccsc2)CCN1CCOC ZINC000120972963 365505836 /nfs/dbraw/zinc/50/58/36/365505836.db2.gz BCLFKCOCLXEGIO-CQSZACIVSA-N 0 3 268.426 2.291 10 0 CEAEHN COc1c(CN[C@H](C)CC2CCC2)c(C)nn1C ZINC000680857308 541464274 /nfs/dbraw/zinc/46/42/74/541464274.db2.gz HQBADJFPUXEXAH-SNVBAGLBSA-N 0 3 251.374 2.405 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCO2)N(C)C ZINC000161550898 367097336 /nfs/dbraw/zinc/09/73/36/367097336.db2.gz ZUFXQPYELKZQAR-WCQYABFASA-N 0 3 292.379 2.323 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@H](C)N(C)c1ccccc1)N(C)C ZINC000161585008 367099503 /nfs/dbraw/zinc/09/95/03/367099503.db2.gz RAAKBJVFSXVGPF-HOCLYGCPSA-N 0 3 291.439 2.358 10 0 CEAEHN Cc1ccc([C@@H](C)CNC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000162257818 367147950 /nfs/dbraw/zinc/14/79/50/367147950.db2.gz IADCUKUPNYZPNS-GOEBONIOSA-N 0 3 289.423 2.444 10 0 CEAEHN CCC[C@@H](C(=O)NC[C@@H](C)Oc1cccc(F)c1)N(C)C ZINC000162319207 367150914 /nfs/dbraw/zinc/15/09/14/367150914.db2.gz FJUGHPWTOFZISE-DOMZBBRYSA-N 0 3 296.386 2.440 10 0 CEAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000245481390 370827134 /nfs/dbraw/zinc/82/71/34/370827134.db2.gz YGIHLDPOYZUXKJ-CVEARBPZSA-N 0 3 295.471 2.050 10 0 CEAEHN CC(=O)c1ccc(N[C@@H]2CN(C(C)C)C[C@H]2C)nc1 ZINC000245595518 370847280 /nfs/dbraw/zinc/84/72/80/370847280.db2.gz IGTJRBJVFOZURB-BXUZGUMPSA-N 0 3 261.369 2.425 10 0 CEAEHN CCN(CC)c1ccc(C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170859465 367432416 /nfs/dbraw/zinc/43/24/16/367432416.db2.gz UHXHXRYCMHPXNP-INIZCTEOSA-N 0 3 289.423 2.309 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)C1 ZINC000170856065 367432996 /nfs/dbraw/zinc/43/29/96/367432996.db2.gz RMWFPRMKVSVUKT-ZDUSSCGKSA-N 0 3 294.370 2.146 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)COc2ccc3ccccc3c2)C1 ZINC000170863032 367434108 /nfs/dbraw/zinc/43/41/08/367434108.db2.gz FFULVLLPRNCEPZ-INIZCTEOSA-N 0 3 298.386 2.381 10 0 CEAEHN CCn1cc(CC(=O)N2CC[C@H](N(C)C)C2)c2ccccc21 ZINC000170863936 367434649 /nfs/dbraw/zinc/43/46/49/367434649.db2.gz UOHSKYXBDVDEAB-HNNXBMFYSA-N 0 3 299.418 2.366 10 0 CEAEHN C/C(=C\C(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000170864448 367436384 /nfs/dbraw/zinc/43/63/84/367436384.db2.gz ZTNAHFKPVRAYED-HBIYDYFMSA-N 0 3 276.355 2.392 10 0 CEAEHN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCN2CCC[C@H]2C1 ZINC000171585694 367573493 /nfs/dbraw/zinc/57/34/93/367573493.db2.gz JQGGTGOESGKUAQ-QMMMGPOBSA-N 0 3 288.178 2.242 10 0 CEAEHN Cn1cc([C@@H]2CCCN2CCc2cccnc2)cn1 ZINC000172161149 367686391 /nfs/dbraw/zinc/68/63/91/367686391.db2.gz XYLARLHBUGRNHA-HNNXBMFYSA-N 0 3 256.353 2.195 10 0 CEAEHN CC[C@@H]1CN(Cc2ccsc2)CCN1C[C@H](C)O ZINC000245754734 370869928 /nfs/dbraw/zinc/86/99/28/370869928.db2.gz OKIRQWFBGXVHDC-GXTWGEPZSA-N 0 3 268.426 2.025 10 0 CEAEHN O[C@]12CCCC[C@H]1CN(Cc1cnn3ccccc13)CC2 ZINC000245717841 370863961 /nfs/dbraw/zinc/86/39/61/370863961.db2.gz HHONUDSKDSPXJG-RDJZCZTQSA-N 0 3 285.391 2.461 10 0 CEAEHN C[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1c(F)cccc1F ZINC000245730742 370865092 /nfs/dbraw/zinc/86/50/92/370865092.db2.gz YRRPKYWIZKWDGU-NEPJUHHUSA-N 0 3 294.345 2.375 10 0 CEAEHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000245933475 370890498 /nfs/dbraw/zinc/89/04/98/370890498.db2.gz KBGUAMMVVFBVCP-MJBXVCDLSA-N 0 3 290.432 2.467 10 0 CEAEHN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](N3CC=CC3)C2)o1 ZINC000173464715 367912072 /nfs/dbraw/zinc/91/20/72/367912072.db2.gz CQRISHTUWIQZIB-KBPBESRZSA-N 0 3 289.379 2.305 10 0 CEAEHN Cc1ccc(-c2ocnc2C(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000173500551 367916631 /nfs/dbraw/zinc/91/66/31/367916631.db2.gz XCMRSCUNVPJSHE-AWEZNQCLSA-N 0 3 299.374 2.426 10 0 CEAEHN C[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1cccc(F)c1 ZINC000173500238 367916859 /nfs/dbraw/zinc/91/68/59/367916859.db2.gz HEWLNRWHWXXLEG-BXUZGUMPSA-N 0 3 264.344 2.092 10 0 CEAEHN CSCCCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173674979 367932055 /nfs/dbraw/zinc/93/20/55/367932055.db2.gz JNJCRCBNPHQNFB-MRXNPFEDSA-N 0 3 294.464 2.091 10 0 CEAEHN CCCCCNC(=O)N(C)C[C@@H]1CCCN1CC ZINC000176367738 368229987 /nfs/dbraw/zinc/22/99/87/368229987.db2.gz UGCWVPTWSNNSMA-ZDUSSCGKSA-N 0 3 255.406 2.302 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc3c(c2)COC3)C1 ZINC000179406721 368336920 /nfs/dbraw/zinc/33/69/20/368336920.db2.gz ZXKXJHMKDQPSMW-HNNXBMFYSA-N 0 3 289.379 2.323 10 0 CEAEHN C[C@@H]1CCC[C@@H]1CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000184712801 368713953 /nfs/dbraw/zinc/71/39/53/368713953.db2.gz IWORGTMDVZIBRR-MGPQQGTHSA-N 0 3 250.386 2.119 10 0 CEAEHN Cn1cc(CN2CCCN([C@@H]3C=CCCC3)CC2)cn1 ZINC000246309202 370945232 /nfs/dbraw/zinc/94/52/32/370945232.db2.gz XYUNMGKHBRNECI-MRXNPFEDSA-N 0 3 274.412 2.037 10 0 CEAEHN COC1(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCCCC1 ZINC000185684757 368843197 /nfs/dbraw/zinc/84/31/97/368843197.db2.gz KGOBHHYGSTXTNF-KBPBESRZSA-N 0 3 282.428 2.181 10 0 CEAEHN C[C@]1(C(=O)N2CCCC(F)(F)CC2)CCCCN1 ZINC000634738666 368851763 /nfs/dbraw/zinc/85/17/63/368851763.db2.gz WKEPQDDMFQCKGF-GFCCVEGCSA-N 0 3 260.328 2.166 10 0 CEAEHN Cc1ccc([C@H](C)N[C@@H]2CCCS(=O)(=O)CC2)o1 ZINC000634950432 368985408 /nfs/dbraw/zinc/98/54/08/368985408.db2.gz RQGILZRVKRWQEQ-NWDGAFQWSA-N 0 3 271.382 2.206 10 0 CEAEHN C[C@H](NCc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCCO1 ZINC000187120131 369105545 /nfs/dbraw/zinc/10/55/45/369105545.db2.gz DETIXCOIQLONJW-LRDDRELGSA-N 0 3 288.391 2.253 10 0 CEAEHN Cc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)co1 ZINC000188803586 369410571 /nfs/dbraw/zinc/41/05/71/369410571.db2.gz VYSIWRNNEPAKMZ-CYBMUJFWSA-N 0 3 252.358 2.294 10 0 CEAEHN O=C(N[C@H]1CCC12CCCC2)N1CCN2CCC[C@H]2C1 ZINC000335832446 284168461 /nfs/dbraw/zinc/16/84/61/284168461.db2.gz WJWQHMGJNCBLLV-KBPBESRZSA-N 0 3 277.412 2.199 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC000192397550 369809208 /nfs/dbraw/zinc/80/92/08/369809208.db2.gz BORLSJXXQINFER-SNVBAGLBSA-N 0 3 270.760 2.489 10 0 CEAEHN CCN[C@@H](C)C(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000637892931 370151930 /nfs/dbraw/zinc/15/19/30/370151930.db2.gz DQBPGRGXRFVUPY-RYUDHWBXSA-N 0 3 264.369 2.179 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(NC)c1 ZINC000638109879 370305498 /nfs/dbraw/zinc/30/54/98/370305498.db2.gz XFIGZDGEWPRKHY-HNNXBMFYSA-N 0 3 275.396 2.285 10 0 CEAEHN CC[C@@H](CC(=O)N[C@@H](CN)C(F)(F)F)C(C)(C)C ZINC000638396106 370496752 /nfs/dbraw/zinc/49/67/52/370496752.db2.gz HBLHNAYYXZFJPR-IUCAKERBSA-N 0 3 268.323 2.455 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)nc1 ZINC000246787310 371010570 /nfs/dbraw/zinc/01/05/70/371010570.db2.gz BJVCRCNVOZVOCJ-PWSUYJOCSA-N 0 3 279.771 2.044 10 0 CEAEHN CCc1nc(Cl)c(C)c(N2CCN3CCC[C@H]3C2)n1 ZINC000247033552 371050928 /nfs/dbraw/zinc/05/09/28/371050928.db2.gz SNHLUHCJGGZQBT-NSHDSACASA-N 0 3 280.803 2.285 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1scnc1C ZINC000246910227 371030413 /nfs/dbraw/zinc/03/04/13/371030413.db2.gz IFTUPMZZJHMZJJ-NEPJUHHUSA-N 0 3 279.409 2.150 10 0 CEAEHN C[C@H](O)CN1CCN(C[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000246956608 371036312 /nfs/dbraw/zinc/03/63/12/371036312.db2.gz DCDWKJPDRJUEIN-PMPSAXMXSA-N 0 3 276.424 2.177 10 0 CEAEHN CC(C)CC[C@H](C)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247599432 371129467 /nfs/dbraw/zinc/12/94/67/371129467.db2.gz TYTQFKFARMOEEP-KBPBESRZSA-N 0 3 267.417 2.301 10 0 CEAEHN O[C@H](CN1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1F ZINC000247990461 371153386 /nfs/dbraw/zinc/15/33/86/371153386.db2.gz JIOAGWSHSXCELT-XKQJLSEDSA-N 0 3 293.382 2.486 10 0 CEAEHN Cn1cc([C@@H]2CCCN2C[C@@H](O)CC2CCCC2)cn1 ZINC000248990125 371279574 /nfs/dbraw/zinc/27/95/74/371279574.db2.gz XYMBLBRQXKLRJY-HOTGVXAUSA-N 0 3 277.412 2.498 10 0 CEAEHN CC[C@@H](C(=O)OC(C)(C)C)N1CCN2CCCC[C@H]2C1 ZINC000248916240 371269700 /nfs/dbraw/zinc/26/97/00/371269700.db2.gz ZUXARIZNKXZBGB-KBPBESRZSA-N 0 3 282.428 2.277 10 0 CEAEHN COC(=O)[C@H](CC(C)C)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000351877220 284273127 /nfs/dbraw/zinc/27/31/27/284273127.db2.gz BCIKBAZGCWGILQ-YCPHGPKFSA-N 0 3 283.412 2.201 10 0 CEAEHN CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCO[C@H]1C ZINC000250978314 371395742 /nfs/dbraw/zinc/39/57/42/371395742.db2.gz VLTXTOCKMYHMCW-ZNMIVQPWSA-N 0 3 282.428 2.182 10 0 CEAEHN OC[C@@H]1CN(Cc2cncs2)C[C@H]1c1ccsc1 ZINC000249958653 371371693 /nfs/dbraw/zinc/37/16/93/371371693.db2.gz JLRYMOVUQSHSKD-AAEUAGOBSA-N 0 3 280.418 2.413 10 0 CEAEHN C[C@H]1CN2CCCC[C@H]2CN1CCc1cccnc1 ZINC000252662310 371463521 /nfs/dbraw/zinc/46/35/21/371463521.db2.gz XGVMXYLTNGPSRL-HOCLYGCPSA-N 0 3 259.397 2.183 10 0 CEAEHN C[C@H](CCC(C)(C)C)NC(=O)[C@H](N)C1CCOCC1 ZINC000261605596 371674856 /nfs/dbraw/zinc/67/48/56/371674856.db2.gz AOLFMINUUJXDAM-DGCLKSJQSA-N 0 3 270.417 2.071 10 0 CEAEHN CCC[C@](C)(N)C(=O)N(CC)C[C@@H](O)c1ccc(C)cc1 ZINC000262607582 371883661 /nfs/dbraw/zinc/88/36/61/371883661.db2.gz CBTDYSGYWKUDFP-WBVHZDCISA-N 0 3 292.423 2.394 10 0 CEAEHN C[C@@H](C(=O)Nc1ccnc2ccncc21)N1CCCCCC1 ZINC000333383790 205275475 /nfs/dbraw/zinc/27/54/75/205275475.db2.gz XUZUCCNYQGLFDE-ZDUSSCGKSA-N 0 3 298.390 2.255 10 0 CEAEHN CC[C@@H](NC(=O)[C@H]1CNCCOC1)c1cccc(Cl)c1 ZINC000643633807 373227601 /nfs/dbraw/zinc/22/76/01/373227601.db2.gz SADWQBXEMRCEOU-GXTWGEPZSA-N 0 3 296.798 2.143 10 0 CEAEHN COC[C@@]1(C(=O)Nc2ccc(Cl)c(OC)c2)CCCN1 ZINC000643773952 373266181 /nfs/dbraw/zinc/26/61/81/373266181.db2.gz BPAPGFUFJQQSOV-CQSZACIVSA-N 0 3 298.770 2.056 10 0 CEAEHN CC[N@@H+]1CC[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000389294590 375300598 /nfs/dbraw/zinc/30/05/98/375300598.db2.gz YIQRHCHQHKFGML-NSHDSACASA-N 0 3 254.761 2.229 10 0 CEAEHN CC[N@H+]1CC[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000389294590 375300604 /nfs/dbraw/zinc/30/06/04/375300604.db2.gz YIQRHCHQHKFGML-NSHDSACASA-N 0 3 254.761 2.229 10 0 CEAEHN Cc1cc(CN2C[C@H]3CCCCN3C[C@H]2C)ccn1 ZINC000391235466 375315593 /nfs/dbraw/zinc/31/55/93/375315593.db2.gz CEBVAOJPOKENQS-GDBMZVCRSA-N 0 3 259.397 2.449 10 0 CEAEHN CC(C)Oc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282516117 375505450 /nfs/dbraw/zinc/50/54/50/375505450.db2.gz XWTQOZUHKYPWLT-SWLSCSKDSA-N 0 3 276.380 2.231 10 0 CEAEHN C[NH+](C)[C@@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC000315276292 376797388 /nfs/dbraw/zinc/79/73/88/376797388.db2.gz NWYCEDQAZVOCOB-LLVKDONJSA-N 0 3 299.212 2.291 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCCc1ccccn1 ZINC000177014677 542243261 /nfs/dbraw/zinc/24/32/61/542243261.db2.gz ZIJLTNMIIBADGD-INIZCTEOSA-N 0 3 289.423 2.347 10 0 CEAEHN Cc1cc2ncc([C@H](C)N[C@@H]3CCC[C@H](O)C3)c(C)n2n1 ZINC000037163569 542278798 /nfs/dbraw/zinc/27/87/98/542278798.db2.gz RSYUSMFWWSSQSA-YUTCNCBUSA-N 0 3 288.395 2.300 10 0 CEAEHN CCc1ccc(NC(=O)CN[C@H](C)[C@@H]2CCCO2)cc1 ZINC000183139192 542287818 /nfs/dbraw/zinc/28/78/18/542287818.db2.gz CALSIOUJIGCCDI-DOMZBBRYSA-N 0 3 276.380 2.345 10 0 CEAEHN CNC(=O)[C@H](NCc1c(C)cc(C)cc1C)C(C)C ZINC000183656850 542293830 /nfs/dbraw/zinc/29/38/30/542293830.db2.gz LWXCPVHZWAFBAD-OAHLLOKOSA-N 0 3 262.397 2.472 10 0 CEAEHN COc1ccc2c(c1)nc([C@H](N)CCSC)n2C ZINC000074297767 184580270 /nfs/dbraw/zinc/58/02/70/184580270.db2.gz XMPOTAJPBBICPB-SNVBAGLBSA-N 0 3 265.382 2.335 10 0 CEAEHN COC(=O)c1ccccc1CNC[C@H]1CCCC[C@H]1CO ZINC000089522404 184616084 /nfs/dbraw/zinc/61/60/84/184616084.db2.gz DDENWZFMLRHLNH-HIFRSBDPSA-N 0 3 291.391 2.362 10 0 CEAEHN CN[C@H]1c2cc(OC)ccc2C[C@H]1SCCOC ZINC000092911623 184633869 /nfs/dbraw/zinc/63/38/69/184633869.db2.gz QYRTZGFLEIRNAW-KGLIPLIRSA-N 0 3 267.394 2.260 10 0 CEAEHN CCOC(OCC)[C@H](N)CCc1ccc(OC)cc1 ZINC000093306529 184661960 /nfs/dbraw/zinc/66/19/60/184661960.db2.gz UJUCCNJUFRBSHX-CQSZACIVSA-N 0 3 267.369 2.354 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000245481391 285241123 /nfs/dbraw/zinc/24/11/23/285241123.db2.gz YGIHLDPOYZUXKJ-HZPDHXFCSA-N 0 3 295.471 2.050 10 0 CEAEHN CCN[C@H](CSCCO)c1ccccc1OCC ZINC000081797071 177862341 /nfs/dbraw/zinc/86/23/41/177862341.db2.gz PVOCYYOORDGCIZ-CYBMUJFWSA-N 0 3 269.410 2.461 10 0 CEAEHN CC[C@](C)(N)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000094231198 184766796 /nfs/dbraw/zinc/76/67/96/184766796.db2.gz UBSRMMSKYJSFCK-NSHDSACASA-N 0 3 272.251 2.074 10 0 CEAEHN CCC(N)(CC)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000094243684 184769094 /nfs/dbraw/zinc/76/90/94/184769094.db2.gz QZQUBARKXDUJFG-ZDUSSCGKSA-N 0 3 261.369 2.263 10 0 CEAEHN C[C@H](Cc1cccs1)N(C)c1ccc(N)c(N)n1 ZINC000094260667 184770722 /nfs/dbraw/zinc/77/07/22/184770722.db2.gz DRGMNFDWMGXSGQ-SECBINFHSA-N 0 3 262.382 2.375 10 0 CEAEHN COC[C@H](C)N(C)c1nc(C(F)(F)F)ccc1CN ZINC000094334187 184782470 /nfs/dbraw/zinc/78/24/70/184782470.db2.gz UMZJZLOUIWQGBT-QMMMGPOBSA-N 0 3 277.290 2.030 10 0 CEAEHN Cc1n[nH]cc1CCCNc1nc2cc(N)ccc2[nH]1 ZINC000094770822 184857824 /nfs/dbraw/zinc/85/78/24/184857824.db2.gz XLJBXVMFACQJIU-UHFFFAOYSA-N 0 3 270.340 2.221 10 0 CEAEHN CCCc1ccc([C@H](NCC)[C@H]2CN3CCN2CC3)cc1 ZINC000094510086 184811923 /nfs/dbraw/zinc/81/19/23/184811923.db2.gz VPIPDBVTRVMYEG-MSOLQXFVSA-N 0 3 287.451 2.290 10 0 CEAEHN CCCN[C@@H](c1ccc(C)cc1)[C@H]1CN2CCN1CC2 ZINC000094510718 184812263 /nfs/dbraw/zinc/81/22/63/184812263.db2.gz XCYVONOZBHZHTD-SJORKVTESA-N 0 3 273.424 2.036 10 0 CEAEHN CNCc1ccnn1Cc1nc(C(C)(C)C)cs1 ZINC000094978839 184910006 /nfs/dbraw/zinc/91/00/06/184910006.db2.gz YZEDNNCBPYOKIS-UHFFFAOYSA-N 0 3 264.398 2.405 10 0 CEAEHN COc1ccc(C[C@H](N)c2ncc[nH]2)cc1Br ZINC000094938069 184897161 /nfs/dbraw/zinc/89/71/61/184897161.db2.gz PAMJKBXLHJFJFE-JTQLQIEISA-N 0 3 296.168 2.423 10 0 CEAEHN C[C@H](CC(=O)N1CCO[C@H](CN(C)C)C1)C1CCCCC1 ZINC000116783517 533638219 /nfs/dbraw/zinc/63/82/19/533638219.db2.gz YQDWJLFQTLYFOI-GDBMZVCRSA-N 0 3 296.455 2.382 10 0 CEAEHN C[C@H](NCC(=O)N1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000189915478 130038434 /nfs/dbraw/zinc/03/84/34/130038434.db2.gz FYCWVQHCJRIPCN-AWEZNQCLSA-N 0 3 298.390 2.145 10 0 CEAEHN c1nc2n(n1)C[C@@H](NCc1ccc(OCC3CC3)cc1)CC2 ZINC000190973156 130167849 /nfs/dbraw/zinc/16/78/49/130167849.db2.gz XOBNORHFRUUUDS-HNNXBMFYSA-N 0 3 298.390 2.172 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1c1ccc(F)c(F)c1 ZINC000071032955 134954591 /nfs/dbraw/zinc/95/45/91/134954591.db2.gz SRPOLYHFFRMOCI-ZDUSSCGKSA-N 0 3 266.291 2.212 10 0 CEAEHN Cc1cc(Br)cc(C)c1N1CCNCC1 ZINC000083512202 135025772 /nfs/dbraw/zinc/02/57/72/135025772.db2.gz PFCSOGHQVXCWQG-UHFFFAOYSA-N 0 3 269.186 2.476 10 0 CEAEHN Cc1cc(Br)cnc1N1C[C@@H](C)N[C@H](C)C1 ZINC000086707129 135048373 /nfs/dbraw/zinc/04/83/73/135048373.db2.gz BWESVKOSGRAOEH-NXEZZACHSA-N 0 3 284.201 2.339 10 0 CEAEHN C[C@H]1CNCCN1c1c2nsnc2ccc1Cl ZINC000088128566 135052545 /nfs/dbraw/zinc/05/25/45/135052545.db2.gz DJRHJHHGSLMLIB-ZETCQYMHSA-N 0 3 268.773 2.143 10 0 CEAEHN COc1ccccc1N1CCN(CC(C)(C)[C@H](C)O)CC1 ZINC000091405708 135068815 /nfs/dbraw/zinc/06/88/15/135068815.db2.gz VPULGYQOCQBGND-AWEZNQCLSA-N 0 3 292.423 2.224 10 0 CEAEHN Cc1ncccc1N1CCN[C@@H](Cc2ccccc2)C1 ZINC000091498319 135070955 /nfs/dbraw/zinc/07/09/55/135070955.db2.gz SPNFPJNDHVAFKK-INIZCTEOSA-N 0 3 267.376 2.411 10 0 CEAEHN NCc1c(F)cccc1N1CCO[C@H]2CCCC[C@@H]21 ZINC000093395391 135080461 /nfs/dbraw/zinc/08/04/61/135080461.db2.gz WOCFSEUYZSKKGU-GJZGRUSLSA-N 0 3 264.344 2.432 10 0 CEAEHN Cc1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)c2ccccc2n1 ZINC000301635528 394463661 /nfs/dbraw/zinc/46/36/61/394463661.db2.gz DXRZOIZSIGBWSC-IRXDYDNUSA-N 0 3 283.375 2.062 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2ccccc2F)C1 ZINC000052592405 394558167 /nfs/dbraw/zinc/55/81/67/394558167.db2.gz GTQULFJUIUULHF-AWEZNQCLSA-N 0 3 293.386 2.451 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N(C)Cc2cccc(F)c2)C1 ZINC000052593278 394558192 /nfs/dbraw/zinc/55/81/92/394558192.db2.gz CSZQICIHBDYQBX-HNNXBMFYSA-N 0 3 293.386 2.451 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCc2ccc(F)c(C)c2)C1 ZINC000052520355 394558275 /nfs/dbraw/zinc/55/82/75/394558275.db2.gz NGCLGGHMKPDPCX-CQSZACIVSA-N 0 3 293.386 2.418 10 0 CEAEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000253278604 394576375 /nfs/dbraw/zinc/57/63/75/394576375.db2.gz OFIDJTREUWDQHQ-LXTVHRRPSA-N 0 3 282.428 2.038 10 0 CEAEHN CS[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000246905760 394523044 /nfs/dbraw/zinc/52/30/44/394523044.db2.gz APLLSKSKXUJPRN-FRRDWIJNSA-N 0 3 285.457 2.006 10 0 CEAEHN Fc1ccc2c(c1)[C@@H](N1CC[C@@H](N3CCOCC3)C1)CC2 ZINC000248343463 394538407 /nfs/dbraw/zinc/53/84/07/394538407.db2.gz KIMDIGMLMCBZQQ-WBVHZDCISA-N 0 3 290.382 2.220 10 0 CEAEHN Cc1ccc(C(=O)N(C)C[C@H]2CCN(C)C2)c(F)c1 ZINC000094216690 394670340 /nfs/dbraw/zinc/67/03/40/394670340.db2.gz MNBZHHJFQQKLTC-LBPRGKRZSA-N 0 3 264.344 2.158 10 0 CEAEHN C[C@H]1CNCCN1c1nc2ccccc2nc1Cl ZINC000095069584 394672038 /nfs/dbraw/zinc/67/20/38/394672038.db2.gz YGXLIFXMOYKPAJ-VIFPVBQESA-N 0 3 262.744 2.081 10 0 CEAEHN CC[C@@](C)(O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000123598392 394829248 /nfs/dbraw/zinc/82/92/48/394829248.db2.gz PRKSYVPTLYIMCB-UYSNPLJNSA-N 0 3 268.445 2.344 10 0 CEAEHN Cc1nnc([C@@H](C)N2CCN3CCCC[C@H]3C2)s1 ZINC000338273962 394911427 /nfs/dbraw/zinc/91/14/27/394911427.db2.gz HZCKHQJGEZVNAO-PWSUYJOCSA-N 0 3 266.414 2.078 10 0 CEAEHN CSCCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152181384 394989593 /nfs/dbraw/zinc/98/95/93/394989593.db2.gz AVWWMUTWFJIWGG-CYBMUJFWSA-N 0 3 252.383 2.288 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2cc(OC)ccc2F)C1 ZINC000151876243 394979647 /nfs/dbraw/zinc/97/96/47/394979647.db2.gz XHHBVNOMTLQMRQ-NSHDSACASA-N 0 3 295.358 2.440 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000158247462 395041447 /nfs/dbraw/zinc/04/14/47/395041447.db2.gz LWUGTRHGNRWOFI-MNOVXSKESA-N 0 3 291.317 2.006 10 0 CEAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(C)nc1 ZINC000175025691 395130933 /nfs/dbraw/zinc/13/09/33/395130933.db2.gz HRSLPNKJBDZVHN-LSDHHAIUSA-N 0 3 273.380 2.089 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)CNC2CC2)c2ccccc21 ZINC000182712234 395246464 /nfs/dbraw/zinc/24/64/64/395246464.db2.gz XHRCNFATMMDARH-ABAIWWIYSA-N 0 3 258.365 2.493 10 0 CEAEHN CC(C)N1C[C@H](NC(=O)N2CCSC[C@@H](C)C2)[C@@H](C)C1 ZINC000192345764 395381022 /nfs/dbraw/zinc/38/10/22/395381022.db2.gz RVTQHJLYKSEIBX-IHRRRGAJSA-N 0 3 299.484 2.110 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NCCCOC2CCCC2)C1 ZINC000194689110 395446425 /nfs/dbraw/zinc/44/64/25/395446425.db2.gz IOGBNFSYFNVBSI-AWEZNQCLSA-N 0 3 297.443 2.119 10 0 CEAEHN CCN1CCC[C@H](NC(=O)NC[C@@H]2Cc3ccccc32)C1 ZINC000194169511 395427392 /nfs/dbraw/zinc/42/73/92/395427392.db2.gz KWZOLOKQLWOTHB-GJZGRUSLSA-N 0 3 287.407 2.110 10 0 CEAEHN CN(Cc1ccccc1)C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000584615145 395665527 /nfs/dbraw/zinc/66/55/27/395665527.db2.gz PFHNMOKBDRTIBU-QGZVFWFLSA-N 0 3 287.359 2.050 10 0 CEAEHN COc1ccnc(CN[C@@H]2CCC[C@H]3C[C@H]32)c1OC ZINC000646088998 396288422 /nfs/dbraw/zinc/28/84/22/396288422.db2.gz DNJZMCRXQOBSPV-QJPTWQEYSA-N 0 3 262.353 2.377 10 0 CEAEHN CCc1nccn1[C@@H]1CCCN(CCOCC(F)F)C1 ZINC000189218250 153086725 /nfs/dbraw/zinc/08/67/25/153086725.db2.gz XUONCZIQADDXBY-GFCCVEGCSA-N 0 3 287.354 2.364 10 0 CEAEHN C[C@H]1OCCC[C@@H]1C(=O)NCC(C)(C)N1CCCCC1 ZINC000190619645 153140084 /nfs/dbraw/zinc/14/00/84/153140084.db2.gz JCOKVNNENNEYMW-KGLIPLIRSA-N 0 3 282.428 2.182 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccnc(N)c1 ZINC000191487234 153176408 /nfs/dbraw/zinc/17/64/08/153176408.db2.gz JNHHPCHMHUWYFL-AWEZNQCLSA-N 0 3 285.395 2.351 10 0 CEAEHN C[C@H](NCC(=O)N1c2ccccc2C[C@@H]1C)[C@@H]1CCCO1 ZINC000193124698 153228411 /nfs/dbraw/zinc/22/84/11/153228411.db2.gz HJHGZQJHCIBAKB-XEZPLFJOSA-N 0 3 288.391 2.121 10 0 CEAEHN CCc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195315555 153280443 /nfs/dbraw/zinc/28/04/43/153280443.db2.gz HVDFJQVPXAVTDL-OAHLLOKOSA-N 0 3 258.365 2.169 10 0 CEAEHN CCc1csc([C@H]2CCCN(CCCNC(C)=O)C2)n1 ZINC000195384197 153288557 /nfs/dbraw/zinc/28/85/57/153288557.db2.gz IXZMFEASPMIRTJ-ZDUSSCGKSA-N 0 3 295.452 2.411 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCC[C@@H](C)O)c1C ZINC000228028442 153353148 /nfs/dbraw/zinc/35/31/48/153353148.db2.gz IBTJYUKCKHCEJF-GHMZBOCLSA-N 0 3 253.390 2.331 10 0 CEAEHN CC[C@H](c1nc([C@H]2CNCCN2C)no1)c1ccccc1 ZINC000263149426 154025423 /nfs/dbraw/zinc/02/54/23/154025423.db2.gz CZSRHZYXRTYNCA-UONOGXRCSA-N 0 3 286.379 2.188 10 0 CEAEHN Cc1cccc([C@@H](C)c2nc([C@H]3CNCCN3C)no2)c1 ZINC000263223654 154037160 /nfs/dbraw/zinc/03/71/60/154037160.db2.gz MKRWEMJEDGURKA-TZMCWYRMSA-N 0 3 286.379 2.106 10 0 CEAEHN CCS[C@@H](c1nc([C@@H]2CNCCN2C)no1)C(C)C ZINC000263245721 154042245 /nfs/dbraw/zinc/04/22/45/154042245.db2.gz PFXDSUWNMRNAIC-WDEREUQCSA-N 0 3 284.429 2.096 10 0 CEAEHN CCC[C@@H](C)CNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514900 154109218 /nfs/dbraw/zinc/10/92/18/154109218.db2.gz OJKZABNWLIZNBB-LRVUVFPRSA-N 0 3 282.428 2.340 10 0 CEAEHN CCC[C@@H](C)CNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514900 154109222 /nfs/dbraw/zinc/10/92/22/154109222.db2.gz OJKZABNWLIZNBB-LRVUVFPRSA-N 0 3 282.428 2.340 10 0 CEAEHN CCC[C@@H](C)C[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263514900 154109225 /nfs/dbraw/zinc/10/92/25/154109225.db2.gz OJKZABNWLIZNBB-LRVUVFPRSA-N 0 3 282.428 2.340 10 0 CEAEHN COc1cccc([C@@H](C)N2CCO[C@H](CN(C)C)C2)c1 ZINC000175653570 286461688 /nfs/dbraw/zinc/46/16/88/286461688.db2.gz VIGWIHMWYUWGIS-CZUORRHYSA-N 0 3 278.396 2.019 10 0 CEAEHN COCCCN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874591 292340020 /nfs/dbraw/zinc/34/00/20/292340020.db2.gz OZWMUJOBDOMNDG-AWEZNQCLSA-N 0 3 298.452 2.090 10 0 CEAEHN CN(C)c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171885527 165049400 /nfs/dbraw/zinc/04/94/00/165049400.db2.gz QJDQZKJYAFIIBE-OAHLLOKOSA-N 0 3 288.395 2.065 10 0 CEAEHN CC[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1nccs1 ZINC000172617072 165057760 /nfs/dbraw/zinc/05/77/60/165057760.db2.gz OHCPZQFKYDXQQJ-VXGBXAGGSA-N 0 3 294.424 2.084 10 0 CEAEHN CCCCCC[C@@H](C)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000173792196 165083243 /nfs/dbraw/zinc/08/32/43/165083243.db2.gz FYDMZJAJRBHZFW-HUUCEWRRSA-N 0 3 284.444 2.382 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)NC(C1CC1)C1CC1 ZINC000177342137 165196072 /nfs/dbraw/zinc/19/60/72/165196072.db2.gz VKYSIAINJQWSQM-AWEZNQCLSA-N 0 3 279.428 2.301 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCCOCC(C)C ZINC000177337799 165196725 /nfs/dbraw/zinc/19/67/25/165196725.db2.gz FXTXYCLHNKROHC-OAHLLOKOSA-N 0 3 299.459 2.175 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCOC1CCCC1 ZINC000177485051 165198206 /nfs/dbraw/zinc/19/82/06/165198206.db2.gz JFICSOUUWMWCCP-CQSZACIVSA-N 0 3 297.443 2.071 10 0 CEAEHN CCC1(CNC(=O)N2CCN3CCC[C@@H]3C2)CCCC1 ZINC000177638301 165204171 /nfs/dbraw/zinc/20/41/71/165204171.db2.gz PLRUKKDKWDBKHL-CQSZACIVSA-N 0 3 279.428 2.446 10 0 CEAEHN c1cc(C2CCN(Cc3cnn4ccccc34)CC2)n[nH]1 ZINC000179850289 165292080 /nfs/dbraw/zinc/29/20/80/165292080.db2.gz MIQKKAGGMUNEOR-UHFFFAOYSA-N 0 3 281.363 2.437 10 0 CEAEHN COc1ccc(Cl)cc1[C@@H](C)NC[C@@H]1CN(C)CCO1 ZINC000180489293 165313295 /nfs/dbraw/zinc/31/32/95/165313295.db2.gz STEQOJKDBFYWIW-DGCLKSJQSA-N 0 3 298.814 2.330 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@@H]1CCc3ccccc31)CC2 ZINC000180611358 165317620 /nfs/dbraw/zinc/31/76/20/165317620.db2.gz BFJLBDJLOHVWIR-DZGCQCFKSA-N 0 3 282.391 2.432 10 0 CEAEHN CC[C@H](N)CS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000011896731 170456832 /nfs/dbraw/zinc/45/68/32/170456832.db2.gz NNABKKMIEJDDNT-LBPRGKRZSA-N 0 3 255.383 2.321 10 0 CEAEHN COc1ccc(OC)c([C@@H](CN)N(C)CC(C)C)c1 ZINC000020226462 171090850 /nfs/dbraw/zinc/09/08/50/171090850.db2.gz GAPVKNHVFMGMDX-CQSZACIVSA-N 0 3 266.385 2.291 10 0 CEAEHN CCCN(C)[C@H](CN)c1ccc(OC)cc1OC ZINC000020226491 171090951 /nfs/dbraw/zinc/09/09/51/171090951.db2.gz COKXRPOADXVXOD-CYBMUJFWSA-N 0 3 252.358 2.045 10 0 CEAEHN C[C@H]1CN(Cc2cnc(-c3ccccc3)[nH]2)CCN1C ZINC000020992424 171283653 /nfs/dbraw/zinc/28/36/53/171283653.db2.gz MZZQMNURTKQAOR-ZDUSSCGKSA-N 0 3 270.380 2.213 10 0 CEAEHN Brc1ccc(N[C@@H]2CN3CCC2CC3)nc1 ZINC000021011728 171287127 /nfs/dbraw/zinc/28/71/27/171287127.db2.gz PMRWTRRKMBLJOB-LLVKDONJSA-N 0 3 282.185 2.350 10 0 CEAEHN NCc1ccccc1CS(=O)(=O)Nc1ccccc1 ZINC000022148040 171357118 /nfs/dbraw/zinc/35/71/18/171357118.db2.gz RAYYGIKKUCHYKX-UHFFFAOYSA-N 0 3 276.361 2.087 10 0 CEAEHN NCc1cccc(NC(=O)COc2cccc(F)c2)c1 ZINC000022171841 171368135 /nfs/dbraw/zinc/36/81/35/171368135.db2.gz UIJYYSDDEQRPHX-UHFFFAOYSA-N 0 3 274.295 2.302 10 0 CEAEHN NCc1ccccc1OCC(=O)Nc1ccc(F)c(F)c1 ZINC000022213886 171374999 /nfs/dbraw/zinc/37/49/99/171374999.db2.gz ACGJPAUCYXSOJI-UHFFFAOYSA-N 0 3 292.285 2.441 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc(Cl)c2)CCO1 ZINC000022218640 171376835 /nfs/dbraw/zinc/37/68/35/171376835.db2.gz VWZSQHHQNAMTMK-MFKMUULPSA-N 0 3 254.761 2.061 10 0 CEAEHN C[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000035140751 172008295 /nfs/dbraw/zinc/00/82/95/172008295.db2.gz NRUZZHRLEBERRB-MRVPVSSYSA-N 0 3 277.755 2.465 10 0 CEAEHN CN(C)CCNCC(=O)Nc1c(Cl)cccc1Cl ZINC000035154812 172017178 /nfs/dbraw/zinc/01/71/78/172017178.db2.gz UHFKDBNLJMYHHI-UHFFFAOYSA-N 0 3 290.194 2.083 10 0 CEAEHN Fc1cccc(CN[C@@H]2CN3CCC2CC3)c1F ZINC000035223671 172067894 /nfs/dbraw/zinc/06/78/94/172067894.db2.gz XYLAGPINSRUZML-CYBMUJFWSA-N 0 3 252.308 2.149 10 0 CEAEHN COc1cccc(CO)c1OCCN1CCCCC1 ZINC000035413129 172185412 /nfs/dbraw/zinc/18/54/12/172185412.db2.gz OJGUZVSSOBIDFY-UHFFFAOYSA-N 0 3 265.353 2.052 10 0 CEAEHN c1cn2c(CNC3CC3)c(N3CCCC3)nc2s1 ZINC000035429553 172197430 /nfs/dbraw/zinc/19/74/30/172197430.db2.gz ZJYGXYMQQDCRSX-UHFFFAOYSA-N 0 3 262.382 2.248 10 0 CEAEHN C[C@@H](O)c1ccc(N(C)C2CCN(C)CC2)c(F)c1 ZINC000035631322 172313765 /nfs/dbraw/zinc/31/37/65/172313765.db2.gz BMMBCGANRLFSAL-LLVKDONJSA-N 0 3 266.360 2.409 10 0 CEAEHN CC(C)N[C@@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760536 172398827 /nfs/dbraw/zinc/39/88/27/172398827.db2.gz BBHSDXHXNVMCJZ-GFCCVEGCSA-N 0 3 253.367 2.293 10 0 CEAEHN CCN[C@@H]1c2cc(Cl)ccc2S(=O)(=O)C[C@@H]1C ZINC000035760906 172399511 /nfs/dbraw/zinc/39/95/11/172399511.db2.gz CFGLDJRGASSOOT-UFBFGSQYSA-N 0 3 273.785 2.414 10 0 CEAEHN CC[C@H]1COCCN1[C@@H](CN)c1ccc(C)c(C)c1 ZINC000037180183 173012685 /nfs/dbraw/zinc/01/26/85/173012685.db2.gz ALCIAIOAADTRPG-HOTGVXAUSA-N 0 3 262.397 2.414 10 0 CEAEHN C[C@@H](N[C@H](c1cccs1)C1CCCC1)C(N)=O ZINC000037261547 173071175 /nfs/dbraw/zinc/07/11/75/173071175.db2.gz WBMOCFHIIBOUPT-SKDRFNHKSA-N 0 3 252.383 2.443 10 0 CEAEHN COC1CCN([C@@H](CN)c2ccc(C)s2)CC1 ZINC000037265912 173074543 /nfs/dbraw/zinc/07/45/43/173074543.db2.gz UGKCVNBENYGZTO-LBPRGKRZSA-N 0 3 254.399 2.167 10 0 CEAEHN COC(=O)c1cc(CN[C@H](CC(C)C)CN(C)C)oc1C ZINC000037321654 173122041 /nfs/dbraw/zinc/12/20/41/173122041.db2.gz ZVTSVKVAZWRLFM-CYBMUJFWSA-N 0 3 296.411 2.441 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000037386236 173169003 /nfs/dbraw/zinc/16/90/03/173169003.db2.gz XWYRNAFYDHTLOD-QMMMGPOBSA-N 0 3 286.278 2.335 10 0 CEAEHN CCCNC(=O)c1ccccc1NC(=O)CN[C@H](C)CC ZINC000037394608 173175236 /nfs/dbraw/zinc/17/52/36/173175236.db2.gz AWNALZCFTDFBNJ-GFCCVEGCSA-N 0 3 291.395 2.153 10 0 CEAEHN COC(=O)CCCNCc1c(C)nc2scc(C)n12 ZINC000037416412 173193451 /nfs/dbraw/zinc/19/34/51/173193451.db2.gz XGPBHTCJBIGTNV-UHFFFAOYSA-N 0 3 281.381 2.055 10 0 CEAEHN CCOc1cccc(NC(=O)CN[C@@H](C)CC)c1 ZINC000037768498 173698721 /nfs/dbraw/zinc/69/87/21/173698721.db2.gz ZXCUFVDVLRGCHZ-NSHDSACASA-N 0 3 250.342 2.412 10 0 CEAEHN COc1ccccc1[C@H](C)N(C)C(=O)[C@@H](N)C(C)C ZINC000037808291 173751077 /nfs/dbraw/zinc/75/10/77/173751077.db2.gz SAPHHVRNQTVBPS-FZMZJTMJSA-N 0 3 264.369 2.198 10 0 CEAEHN CC[C@@H](C)N[C@@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000038065144 174076333 /nfs/dbraw/zinc/07/63/33/174076333.db2.gz ZIHIMHYSSUIQGW-BXUZGUMPSA-N 0 3 264.369 2.388 10 0 CEAEHN CC[C@H](C)N[C@@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000038065643 174076920 /nfs/dbraw/zinc/07/69/20/174076920.db2.gz RXMDODWMIRMXEH-TVQRCGJNSA-N 0 3 254.761 2.429 10 0 CEAEHN C[C@H]1c2ccsc2CCN1C(=O)[C@@](C)(N)C1CC1 ZINC000038100932 174116487 /nfs/dbraw/zinc/11/64/87/174116487.db2.gz XCZBAWWPPJUPSK-XPTSAGLGSA-N 0 3 264.394 2.321 10 0 CEAEHN COc1cccc(-c2nc(CN)cs2)c1OC ZINC000040419377 174256727 /nfs/dbraw/zinc/25/67/27/174256727.db2.gz DJHPONLLSAQREZ-UHFFFAOYSA-N 0 3 250.323 2.286 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000040487159 174289430 /nfs/dbraw/zinc/28/94/30/174289430.db2.gz RBPLHJKCJXAQGU-XBFCOCLRSA-N 0 3 261.369 2.119 10 0 CEAEHN CC(C)(C)CNS(=O)(=O)c1ccc(CNC2CC2)cc1 ZINC000040495068 174293852 /nfs/dbraw/zinc/29/38/52/174293852.db2.gz CHUCGXNGIJUIRZ-UHFFFAOYSA-N 0 3 296.436 2.263 10 0 CEAEHN CN[C@@H](C)c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495030 174294004 /nfs/dbraw/zinc/29/40/04/174294004.db2.gz JTLVQJAJKYRFDX-NSHDSACASA-N 0 3 284.425 2.291 10 0 CEAEHN CCOC(=O)CCN[C@@H](C)COc1ccc(C)cc1 ZINC000040499866 174296595 /nfs/dbraw/zinc/29/65/95/174296595.db2.gz MKNQCMWANJVHGG-ZDUSSCGKSA-N 0 3 265.353 2.305 10 0 CEAEHN CCN1CCC[C@H](NCc2cc(OC)ccc2OC)C1 ZINC000040502367 174298751 /nfs/dbraw/zinc/29/87/51/174298751.db2.gz ARAOJCWBVGFWND-AWEZNQCLSA-N 0 3 278.396 2.278 10 0 CEAEHN Cc1nc(C)c([C@H](C)NC(=O)[C@H]2CCCCN2)s1 ZINC000040519025 174308551 /nfs/dbraw/zinc/30/85/51/174308551.db2.gz DVLIPFQVCCXSEA-GXSJLCMTSA-N 0 3 267.398 2.079 10 0 CEAEHN CCCC[C@H](N)C(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519132 174308713 /nfs/dbraw/zinc/30/87/13/174308713.db2.gz HGHOVURMLSKXOO-KOLCDFICSA-N 0 3 269.414 2.455 10 0 CEAEHN CCN(CC)[C@@H](CNC(=O)N(C)C)c1ccc(OC)cc1 ZINC000040614929 174353672 /nfs/dbraw/zinc/35/36/72/174353672.db2.gz XMLMZCZRKIZIPU-HNNXBMFYSA-N 0 3 293.411 2.349 10 0 CEAEHN Cn1ccnc1CCNCc1cc2ccccc2o1 ZINC000040638911 174363026 /nfs/dbraw/zinc/36/30/26/174363026.db2.gz VXNUHYZTOMLKGV-UHFFFAOYSA-N 0 3 255.321 2.499 10 0 CEAEHN CCOC1CCN(Cc2cccc(C(N)=S)c2)CC1 ZINC000040689465 174376277 /nfs/dbraw/zinc/37/62/77/174376277.db2.gz NTKACHQRKOJPNQ-UHFFFAOYSA-N 0 3 278.421 2.322 10 0 CEAEHN Cc1sc(C(=O)NCCN2CCCCCC2)cc1N ZINC000040766993 174398100 /nfs/dbraw/zinc/39/81/00/174398100.db2.gz AGFZGEOXOMKGRV-UHFFFAOYSA-N 0 3 281.425 2.245 10 0 CEAEHN Cc1cccc(C(=O)NCCN2CCCCCC2)c1N ZINC000040766870 174398481 /nfs/dbraw/zinc/39/84/81/174398481.db2.gz CCQCQMBTJLXWTI-UHFFFAOYSA-N 0 3 275.396 2.183 10 0 CEAEHN Fc1ccc(CN2CC[C@@H]3OCCN[C@@H]3C2)cc1Cl ZINC000404253515 414779702 /nfs/dbraw/zinc/77/97/02/414779702.db2.gz KNJNNGNZBPWBBA-KGLIPLIRSA-N 0 3 284.762 2.042 10 0 CEAEHN Cc1cccc(C(=O)N(C)[C@H](CN)C(F)(F)F)c1C ZINC000662975853 414815632 /nfs/dbraw/zinc/81/56/32/414815632.db2.gz KNCQLFMZJSDWMQ-LLVKDONJSA-N 0 3 274.286 2.265 10 0 CEAEHN Cc1ccc(C(=O)N(C)[C@H](CN)C(F)(F)F)cc1C ZINC000662978202 414817412 /nfs/dbraw/zinc/81/74/12/414817412.db2.gz ZGAXTYZKDSDPAR-LLVKDONJSA-N 0 3 274.286 2.265 10 0 CEAEHN CN(C(=O)c1cccc2[nH]ccc21)[C@H](CN)C(F)(F)F ZINC000662986429 414818115 /nfs/dbraw/zinc/81/81/15/414818115.db2.gz FLPRSXBTYFNODO-LLVKDONJSA-N 0 3 285.269 2.130 10 0 CEAEHN CCC(C)(C)CC(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662982495 414819170 /nfs/dbraw/zinc/81/91/70/414819170.db2.gz VKXVTGPMGKKNQH-MRVPVSSYSA-N 0 3 254.296 2.161 10 0 CEAEHN CC[C@@H]1C[C@@H](N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CO1 ZINC000657298643 414843264 /nfs/dbraw/zinc/84/32/64/414843264.db2.gz WJTGKHFRIPUOIP-MRVWCRGKSA-N 0 3 297.420 2.308 10 0 CEAEHN CC[C@@H](N)[C@H](c1ccsc1)N(C)CC(=O)N1CCCC1 ZINC000043123461 174976962 /nfs/dbraw/zinc/97/69/62/174976962.db2.gz NZOUBBIKUNXENI-HIFRSBDPSA-N 0 3 295.452 2.081 10 0 CEAEHN Cc1cc(C)c([C@H](N)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000043300045 175000797 /nfs/dbraw/zinc/00/07/97/175000797.db2.gz SILVORKIXSAGPU-TZMCWYRMSA-N 0 3 267.394 2.046 10 0 CEAEHN CN[C@@H](c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300434 175000869 /nfs/dbraw/zinc/00/08/69/175000869.db2.gz RAZZOQBGZGTOBA-JQWIXIFHSA-N 0 3 273.785 2.035 10 0 CEAEHN CCN[C@H](c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300940 175001285 /nfs/dbraw/zinc/00/12/85/175001285.db2.gz MLZSKVYVRFRBDQ-UONOGXRCSA-N 0 3 267.394 2.080 10 0 CEAEHN CN[C@@H](c1cccc(OC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300717 175001527 /nfs/dbraw/zinc/00/15/27/175001527.db2.gz RXYVSPWKPFBJOG-HIFRSBDPSA-N 0 3 297.420 2.169 10 0 CEAEHN Cc1cccc([C@H](CN)N2CCOCC2(C)C)c1C ZINC000043314837 175004623 /nfs/dbraw/zinc/00/46/23/175004623.db2.gz VQSHSLFIEGYUTQ-HNNXBMFYSA-N 0 3 262.397 2.414 10 0 CEAEHN CC[C@H](N)[C@H](c1ccco1)N(C)Cc1cc(C)on1 ZINC000043335286 175011227 /nfs/dbraw/zinc/01/12/27/175011227.db2.gz JRZVRSGBBJKGCB-GXTWGEPZSA-N 0 3 263.341 2.486 10 0 CEAEHN C[C@H](N)[C@@H](c1ccco1)N(C)Cc1cscn1 ZINC000043336325 175012441 /nfs/dbraw/zinc/01/24/41/175012441.db2.gz DMJRLPVFSJACRK-CABZTGNLSA-N 0 3 251.355 2.256 10 0 CEAEHN CC(=O)Nc1ccccc1O[C@@H](CN)c1ccccn1 ZINC000043342506 175015767 /nfs/dbraw/zinc/01/57/67/175015767.db2.gz NCPJWRNTOOLUAK-HNNXBMFYSA-N 0 3 271.320 2.119 10 0 CEAEHN NC[C@H](Oc1ccc(F)c(F)c1)c1ccncc1 ZINC000043356194 175023563 /nfs/dbraw/zinc/02/35/63/175023563.db2.gz QBXVPASLBQTPAA-ZDUSSCGKSA-N 0 3 250.248 2.439 10 0 CEAEHN Cc1ccc([C@H](CN)Oc2ccc3c(c2)OCO3)o1 ZINC000043366600 175027006 /nfs/dbraw/zinc/02/70/06/175027006.db2.gz BJDSYSZFHHDJBL-AWEZNQCLSA-N 0 3 261.277 2.396 10 0 CEAEHN CCN[C@@H](CN(CC)CC)c1ccc2c(c1)OCO2 ZINC000043809276 175109656 /nfs/dbraw/zinc/10/96/56/175109656.db2.gz HAGVMZDBQBNUGX-ZDUSSCGKSA-N 0 3 264.369 2.408 10 0 CEAEHN CCN[C@H](CN(C)CC)c1ccc2c(c1)OCCO2 ZINC000043820464 175114083 /nfs/dbraw/zinc/11/40/83/175114083.db2.gz LNKGLVULAYUPLG-CYBMUJFWSA-N 0 3 264.369 2.060 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N1CCOC(C)(C)C1 ZINC000043897926 175120294 /nfs/dbraw/zinc/12/02/94/175120294.db2.gz OZBBHTATHIJUDM-GDBMZVCRSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N(C)CC1CC1 ZINC000043906170 175122467 /nfs/dbraw/zinc/12/24/67/175122467.db2.gz ZBIOHOGMNYDLND-GOEBONIOSA-N 0 3 260.381 2.440 10 0 CEAEHN CCOC1CCN([C@H]2COc3ccccc3[C@H]2NC)CC1 ZINC000043907141 175123093 /nfs/dbraw/zinc/12/30/93/175123093.db2.gz LRZJBQAOUALSAS-DOTOQJQBSA-N 0 3 290.407 2.209 10 0 CEAEHN CCOc1ccccc1[C@H](CN(CCOC)C1CC1)NC ZINC000043969747 175131377 /nfs/dbraw/zinc/13/13/77/175131377.db2.gz SMCDMDKETULANK-INIZCTEOSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCNC(=O)[C@@H](C)N[C@H]1CCCc2cc(O)ccc21 ZINC000044747154 175242676 /nfs/dbraw/zinc/24/26/76/175242676.db2.gz FTXGSZNCVCEVTF-ABAIWWIYSA-N 0 3 276.380 2.274 10 0 CEAEHN CCCN(CCC)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044796533 175254739 /nfs/dbraw/zinc/25/47/39/175254739.db2.gz PHXYRAMEDBVAMV-OAHLLOKOSA-N 0 3 262.397 2.453 10 0 CEAEHN CC(C)[C@@H](C)N(C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044802000 175255511 /nfs/dbraw/zinc/25/55/11/175255511.db2.gz VUFYFWTTYVLUGK-UKRRQHHQSA-N 0 3 262.397 2.307 10 0 CEAEHN CC[C@@H](N)c1cccc(S(=O)(=O)N[C@@H]2CC2(C)C)c1 ZINC000045138169 175314424 /nfs/dbraw/zinc/31/44/24/175314424.db2.gz BNBPGHXBRXHKGO-CHWSQXEVSA-N 0 3 282.409 2.173 10 0 CEAEHN CCn1nc(C)c(-c2csc(N3CCNCC3)n2)c1C ZINC000045167987 175319192 /nfs/dbraw/zinc/31/91/92/175319192.db2.gz PSNNVJRWXQAROU-UHFFFAOYSA-N 0 3 291.424 2.053 10 0 CEAEHN CCn1nc(C)c(-c2c[nH]c(CNC(C)C)n2)c1C ZINC000045169439 175319713 /nfs/dbraw/zinc/31/97/13/175319713.db2.gz OJXGFNVMLYTEKJ-UHFFFAOYSA-N 0 3 261.373 2.408 10 0 CEAEHN CCN1CCC[C@H](N[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045172084 175321684 /nfs/dbraw/zinc/32/16/84/175321684.db2.gz YRNHFFWNUGLLOL-FZMZJTMJSA-N 0 3 264.417 2.172 10 0 CEAEHN CCC[NH2+][C@@](C)(CCN1CCC[C@@H]1CC)C(=O)[O-] ZINC000045221243 175330049 /nfs/dbraw/zinc/33/00/49/175330049.db2.gz ZMUNCPXTCUGXJB-JSGCOSHPSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCCN(C)C[C@@](NC(C)C)(C(N)=O)c1ccccc1 ZINC000045221950 175330955 /nfs/dbraw/zinc/33/09/55/175330955.db2.gz MDVBTMFVPKRKRS-KRWDZBQOSA-N 0 3 291.439 2.097 10 0 CEAEHN CCCCN(CC)C[C@](C)(NCCC)C(=O)OC ZINC000045223296 175331247 /nfs/dbraw/zinc/33/12/47/175331247.db2.gz ZXUOABAQZGPQHB-AWEZNQCLSA-N 0 3 258.406 2.040 10 0 CEAEHN CCN[C@](C)(CN1CCCCCCC1)C(=O)OCC ZINC000045223669 175331529 /nfs/dbraw/zinc/33/15/29/175331529.db2.gz GQECBSBJQKNTOP-OAHLLOKOSA-N 0 3 270.417 2.184 10 0 CEAEHN CCOC(=O)[C@](C)(CCN1CCC(C)CC1)NC(C)C ZINC000045225584 175332649 /nfs/dbraw/zinc/33/26/49/175332649.db2.gz IYJUYCUPBADGSX-INIZCTEOSA-N 0 3 284.444 2.428 10 0 CEAEHN CCC[NH+](CCC)CC[C@](C)(NC(C)C)C(=O)[O-] ZINC000045230409 175334566 /nfs/dbraw/zinc/33/45/66/175334566.db2.gz NSRGUIGULUAAIH-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CCCN(CCC)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045230409 175334568 /nfs/dbraw/zinc/33/45/68/175334568.db2.gz NSRGUIGULUAAIH-AWEZNQCLSA-N 0 3 258.406 2.340 10 0 CEAEHN CC[NH2+][C@](C)(CCN1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231859 175335405 /nfs/dbraw/zinc/33/54/05/175335405.db2.gz ALZZIFAZGISVAL-SGMGOOAPSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN[C@](C)(CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000045231859 175335406 /nfs/dbraw/zinc/33/54/06/175335406.db2.gz ALZZIFAZGISVAL-SGMGOOAPSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN(CC(C)C)C[C@@](NC)(C(=O)OC)c1ccccc1 ZINC000045264050 175337772 /nfs/dbraw/zinc/33/77/72/175337772.db2.gz ZCNAPZDQUIHMIB-KRWDZBQOSA-N 0 3 292.423 2.252 10 0 CEAEHN CCN(C[C@](NC(C)C)(C(N)=O)c1ccccc1)C(C)C ZINC000045265424 175338363 /nfs/dbraw/zinc/33/83/63/175338363.db2.gz FOAZPPUBGGIULV-QGZVFWFLSA-N 0 3 291.439 2.096 10 0 CEAEHN CCOC(=O)[C@](C)(CN(CC)C(C)C)NC(C)C ZINC000045265545 175338653 /nfs/dbraw/zinc/33/86/53/175338653.db2.gz DRMATFXWLRWRIW-AWEZNQCLSA-N 0 3 258.406 2.037 10 0 CEAEHN CCCN(CC)C[C@](NC(C)C)(C(N)=O)c1ccccc1 ZINC000045267472 175339600 /nfs/dbraw/zinc/33/96/00/175339600.db2.gz RBTWOVVXIXBMKA-QGZVFWFLSA-N 0 3 291.439 2.097 10 0 CEAEHN CCCN(CC[C@@](C)([NH2+]C(C)C)C(=O)[O-])C1CC1 ZINC000045267946 175340222 /nfs/dbraw/zinc/34/02/22/175340222.db2.gz PIYPAORLENFUJU-CQSZACIVSA-N 0 3 256.390 2.092 10 0 CEAEHN CCOC(=O)[C@](C)(CN(C)C[C@@H](C)CC)NC(C)C ZINC000045268399 175340793 /nfs/dbraw/zinc/34/07/93/175340793.db2.gz WBSBNMFXTYFPIW-ZFWWWQNUSA-N 0 3 272.433 2.284 10 0 CEAEHN CC(C)CCN(C)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045281266 175351519 /nfs/dbraw/zinc/35/15/19/175351519.db2.gz GVEJZKXKPUKJFI-AWEZNQCLSA-N 0 3 258.406 2.196 10 0 CEAEHN C[C@@H](NC[C@@H]1CC(=O)N(C)C1)c1ccccc1Cl ZINC000658243737 415277254 /nfs/dbraw/zinc/27/72/54/415277254.db2.gz GGGVJTAJFQBUDN-MNOVXSKESA-N 0 3 266.772 2.469 10 0 CEAEHN COc1ccc([C@@H](C)NC2CC(CO)C2)cc1OC ZINC000658352087 415331998 /nfs/dbraw/zinc/33/19/98/415331998.db2.gz SJESVHQOQCHYMH-XSRFYTQQSA-N 0 3 265.353 2.125 10 0 CEAEHN CCN1CCO[C@@H](CN)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000070287857 175886455 /nfs/dbraw/zinc/88/64/55/175886455.db2.gz DBXUFCACKJSDFC-HOTGVXAUSA-N 0 3 278.396 2.194 10 0 CEAEHN Cc1nc(CN(C)c2nc(CN)cs2)cs1 ZINC000070682282 176001292 /nfs/dbraw/zinc/00/12/92/176001292.db2.gz YNNDUAMVTPBNCJ-UHFFFAOYSA-N 0 3 254.384 2.003 10 0 CEAEHN CNCc1cnn(Cc2cc(Br)cs2)c1 ZINC000070708688 176002266 /nfs/dbraw/zinc/00/22/66/176002266.db2.gz LQNKFZPYTPYSPH-UHFFFAOYSA-N 0 3 286.198 2.475 10 0 CEAEHN N[C@@H]1CCC(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000070824447 176007671 /nfs/dbraw/zinc/00/76/71/176007671.db2.gz UUPRWXWIYKBQFR-MWLCHTKSSA-N 0 3 259.136 2.272 10 0 CEAEHN Nc1cccc(Cl)c1SC[C@@H]1CNCCO1 ZINC000070834402 176007909 /nfs/dbraw/zinc/00/79/09/176007909.db2.gz MZQZKMYKNFFIGM-QMMMGPOBSA-N 0 3 258.774 2.003 10 0 CEAEHN N[C@H]1CCC(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000070824459 176007937 /nfs/dbraw/zinc/00/79/37/176007937.db2.gz UUPRWXWIYKBQFR-ONGXEEELSA-N 0 3 259.136 2.272 10 0 CEAEHN C[C@@H](Cc1ccc(F)cc1)N1CCC[C@H](NC2CC2)C1=O ZINC000071031281 176022742 /nfs/dbraw/zinc/02/27/42/176022742.db2.gz UKNASYAVVSVZCC-LRDDRELGSA-N 0 3 290.382 2.500 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1CCc1cccs1 ZINC000071033452 176023728 /nfs/dbraw/zinc/02/37/28/176023728.db2.gz DLFASEOMLCIAAR-CYBMUJFWSA-N 0 3 264.394 2.034 10 0 CEAEHN C[C@H](c1cccc(F)c1)N1CC[C@@H](NC2CC2)C1=O ZINC000071034926 176024770 /nfs/dbraw/zinc/02/47/70/176024770.db2.gz GSZALWPIFVLEAJ-QMTHXVAHSA-N 0 3 262.328 2.240 10 0 CEAEHN Cc1cc([C@H](C)N2CC[C@@H](NC3CC3)C2=O)c(C)o1 ZINC000071035192 176024817 /nfs/dbraw/zinc/02/48/17/176024817.db2.gz JYYOFJADCNFFCR-IINYFYTJSA-N 0 3 262.353 2.310 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1cccc2ncccc21 ZINC000071037556 176026854 /nfs/dbraw/zinc/02/68/54/176026854.db2.gz DKFWBRVCJPOHAS-CQSZACIVSA-N 0 3 267.332 2.092 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1c1ccc(Cl)cc1F ZINC000071039967 176027412 /nfs/dbraw/zinc/02/74/12/176027412.db2.gz FFDYTSPXGKYORA-LLVKDONJSA-N 0 3 268.719 2.336 10 0 CEAEHN Cc1noc(C)c1CN[C@@]1(CO)CCC[C@H](C)C1 ZINC000071137724 176036488 /nfs/dbraw/zinc/03/64/88/176036488.db2.gz GFIWVNPTHAIZOL-HZMBPMFUSA-N 0 3 252.358 2.322 10 0 CEAEHN C[C@H]1CCC[C@H](N2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000071148294 176044227 /nfs/dbraw/zinc/04/42/27/176044227.db2.gz SKGSLTRGDRHGNU-STQMWFEESA-N 0 3 283.485 2.247 10 0 CEAEHN NCc1cnc(N(Cc2ccccc2)C2CC2)cn1 ZINC000071177807 176055583 /nfs/dbraw/zinc/05/55/83/176055583.db2.gz GXWCNVAUULUDHD-UHFFFAOYSA-N 0 3 254.337 2.104 10 0 CEAEHN CCc1ccc(CN(C)c2cnc(CN)cn2)cc1 ZINC000071177826 176055730 /nfs/dbraw/zinc/05/57/30/176055730.db2.gz KKNXNXKMIDHPQG-UHFFFAOYSA-N 0 3 256.353 2.134 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1O[C@H]1CCN(C)C1=O ZINC000071183261 176058737 /nfs/dbraw/zinc/05/87/37/176058737.db2.gz ISXOFYYOMARQAL-OCCSQVGLSA-N 0 3 276.380 2.275 10 0 CEAEHN CN1CC[C@H](NCCc2ccc(Cl)cc2Cl)C1=O ZINC000071183478 176059087 /nfs/dbraw/zinc/05/90/87/176059087.db2.gz IHQAELUJZMTWNF-LBPRGKRZSA-N 0 3 287.190 2.356 10 0 CEAEHN CN(C)c1ccncc1NCc1cnn2ccccc12 ZINC000071372863 176138667 /nfs/dbraw/zinc/13/86/67/176138667.db2.gz MRNNARDADZRMDF-UHFFFAOYSA-N 0 3 267.336 2.407 10 0 CEAEHN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1CN ZINC000071403374 176154597 /nfs/dbraw/zinc/15/45/97/176154597.db2.gz SNDDMPUXBSGOTH-NEPJUHHUSA-N 0 3 264.369 2.136 10 0 CEAEHN CNCc1cc(C)ccc1OCCCC(=O)OC ZINC000071403565 176154602 /nfs/dbraw/zinc/15/46/02/176154602.db2.gz MMEVAVMYYUVEAD-UHFFFAOYSA-N 0 3 251.326 2.046 10 0 CEAEHN CCNCc1cc(C)ccc1OCc1ncccn1 ZINC000071403896 176155434 /nfs/dbraw/zinc/15/54/34/176155434.db2.gz QVSXSQQZIWVHJM-UHFFFAOYSA-N 0 3 257.337 2.474 10 0 CEAEHN CC[C@@H](Oc1ccc(C)cc1CNC(C)C)C(N)=O ZINC000071406568 176156001 /nfs/dbraw/zinc/15/60/01/176156001.db2.gz SXMCMWPENHGKMX-CYBMUJFWSA-N 0 3 264.369 2.136 10 0 CEAEHN Cc1cc2c(nc(C)n(CCN3CCCC3)c2=O)s1 ZINC000071527832 176194304 /nfs/dbraw/zinc/19/43/04/176194304.db2.gz UNXMTWXHEWZQKE-UHFFFAOYSA-N 0 3 277.393 2.171 10 0 CEAEHN CNCc1ncc(-c2ccc3c(c2)OCCO3)s1 ZINC000071588641 176217090 /nfs/dbraw/zinc/21/70/90/176217090.db2.gz CGHXXZWMUZOEQZ-UHFFFAOYSA-N 0 3 262.334 2.301 10 0 CEAEHN O[C@@H]1CCC[C@H]1N1CCC(c2nccs2)CC1 ZINC000656698740 415817775 /nfs/dbraw/zinc/81/77/75/415817775.db2.gz AZTZBRPQIBIFGH-VXGBXAGGSA-N 0 3 252.383 2.236 10 0 CEAEHN CO[C@H](CNC(=O)[C@@]1(C)CCCCN1)C1CCCCC1 ZINC000662733764 415947874 /nfs/dbraw/zinc/94/78/74/415947874.db2.gz MWQYYSJLXNVSPG-GDBMZVCRSA-N 0 3 282.428 2.230 10 0 CEAEHN CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCCCN1 ZINC000662734327 415949056 /nfs/dbraw/zinc/94/90/56/415949056.db2.gz PTMPIJIYGWSELH-FLTXBFBQSA-N 0 3 250.386 2.308 10 0 CEAEHN c1ccc(CN2CC[C@@H](Nc3cncnc3)C2)cc1 ZINC000076695194 177059780 /nfs/dbraw/zinc/05/97/80/177059780.db2.gz YAMLEEFAXDCNAA-CQSZACIVSA-N 0 3 254.337 2.163 10 0 CEAEHN CN[C@@H](C)c1cn2ccc(Br)cc2n1 ZINC000076792942 177097880 /nfs/dbraw/zinc/09/78/80/177097880.db2.gz CSCMLYJUTALYPJ-ZETCQYMHSA-N 0 3 254.131 2.377 10 0 CEAEHN CCCCCS(=O)(=O)Cc1cccc(CN)c1 ZINC000076981366 177137431 /nfs/dbraw/zinc/13/74/31/177137431.db2.gz LOQILIPSLPHGSV-UHFFFAOYSA-N 0 3 255.383 2.250 10 0 CEAEHN Cc1cc2ncc(CNC[C@]3(O)CCC[C@H](C)C3)cn2n1 ZINC000078638666 177363652 /nfs/dbraw/zinc/36/36/52/177363652.db2.gz MASPACIYOBFFNA-LRDDRELGSA-N 0 3 288.395 2.069 10 0 CEAEHN CN(Cc1cc(Cl)cc2c1OCOC2)CC(C)(C)O ZINC000078779390 177386973 /nfs/dbraw/zinc/38/69/73/177386973.db2.gz VNNZPBZZSMBOPX-UHFFFAOYSA-N 0 3 285.771 2.409 10 0 CEAEHN N[C@H](CC(=O)Nc1ccccc1O)c1ccccc1 ZINC000079052534 177422517 /nfs/dbraw/zinc/42/25/17/177422517.db2.gz KJOCSXCAUYEELZ-GFCCVEGCSA-N 0 3 256.305 2.421 10 0 CEAEHN CCN[C@@](CSc1ncccc1Cl)(C(N)=O)C1CC1 ZINC000079448811 177492096 /nfs/dbraw/zinc/49/20/96/177492096.db2.gz NGQDUXRRLFNSRX-CYBMUJFWSA-N 0 3 299.827 2.071 10 0 CEAEHN CN(C)C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000667770091 419795761 /nfs/dbraw/zinc/79/57/61/419795761.db2.gz OMTFDPQIHLWBMA-IKGGRYGDSA-N 0 3 274.408 2.446 10 0 CEAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cccc(N)c1 ZINC000094440903 262384867 /nfs/dbraw/zinc/38/48/67/262384867.db2.gz PIYFGHNOJZSHCS-XJKSGUPXSA-N 0 3 259.397 2.327 10 0 CEAEHN C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CCCO1 ZINC000044276749 270229169 /nfs/dbraw/zinc/22/91/69/270229169.db2.gz DLWZADLYDXLQFZ-WFASDCNBSA-N 0 3 291.395 2.437 10 0 CEAEHN CC/C=C/CCN1CCN(CCOCC)[C@H](C)C1 ZINC000184520443 270243592 /nfs/dbraw/zinc/24/35/92/270243592.db2.gz WGIFGJZZLWVABM-LQYUOIDQSA-N 0 3 254.418 2.385 10 0 CEAEHN COc1ccc([C@@H](C)CNCc2cc(C(N)=O)co2)cc1 ZINC000189417733 270262146 /nfs/dbraw/zinc/26/21/46/270262146.db2.gz QWPYFHBHRLGXFH-NSHDSACASA-N 0 3 288.347 2.280 10 0 CEAEHN Cc1csc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)n1 ZINC000398713286 270361614 /nfs/dbraw/zinc/36/16/14/270361614.db2.gz PJGVQVNJKWVHAB-SRVKXCTJSA-N 0 3 252.383 2.044 10 0 CEAEHN COC(=O)C1CCC(N[C@@H]2COc3ccccc32)CC1 ZINC000192445202 273977165 /nfs/dbraw/zinc/97/71/65/273977165.db2.gz FHUXTCTXHVZLHQ-ORHYLEIMSA-N 0 3 275.348 2.442 10 0 CEAEHN CC(C)[C@H]1CCCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261967671 276026101 /nfs/dbraw/zinc/02/61/01/276026101.db2.gz LJFOISPFNKYWDH-ZFWWWQNUSA-N 0 3 282.428 2.025 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245438841 276181252 /nfs/dbraw/zinc/18/12/52/276181252.db2.gz YPKPDYKWQINBLX-BYNSBNAKSA-N 0 3 264.413 2.365 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+]CC2CCCCC2)C1 ZINC000263481804 276315418 /nfs/dbraw/zinc/31/54/18/276315418.db2.gz GMESEVCJHAAYDS-UHFFFAOYSA-N 0 3 268.401 2.094 10 0 CEAEHN CC[N@H+](CC(=O)[O-])C1CC(NCC2CCCCC2)C1 ZINC000263481804 276315419 /nfs/dbraw/zinc/31/54/19/276315419.db2.gz GMESEVCJHAAYDS-UHFFFAOYSA-N 0 3 268.401 2.094 10 0 CEAEHN CC[N@@H+](CC(=O)[O-])C1CC(NCC2CCCCC2)C1 ZINC000263481804 276315420 /nfs/dbraw/zinc/31/54/20/276315420.db2.gz GMESEVCJHAAYDS-UHFFFAOYSA-N 0 3 268.401 2.094 10 0 CEAEHN COC(=O)[C@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1 ZINC000029483536 277139700 /nfs/dbraw/zinc/13/97/00/277139700.db2.gz OSKZYLPFYNARRX-CORIIIEPSA-N 0 3 284.359 2.301 10 0 CEAEHN CC(C)(C)c1ncc(CNC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000336829120 277276059 /nfs/dbraw/zinc/27/60/59/277276059.db2.gz GLRWKYTUHRYORG-KBPBESRZSA-N 0 3 277.412 2.415 10 0 CEAEHN C/C(=C/c1nc([C@@H]2CNCCN2C)no1)C(C)(C)C ZINC000263229788 277729103 /nfs/dbraw/zinc/72/91/03/277729103.db2.gz NFMPEHJCWDNGAW-IEHMKBBKSA-N 0 3 264.373 2.095 10 0 CEAEHN CS[C@@H]1CCC[C@@H](NC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000172341661 278144102 /nfs/dbraw/zinc/14/41/02/278144102.db2.gz CJCOWOOXOSBHPH-MGPQQGTHSA-N 0 3 297.468 2.150 10 0 CEAEHN C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000190494435 279040650 /nfs/dbraw/zinc/04/06/50/279040650.db2.gz YCBDIBJSWGGLPG-IMJJTQAJSA-N 0 3 290.407 2.221 10 0 CEAEHN CC(C)C[C@H](CN(C)C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345359252 279133909 /nfs/dbraw/zinc/13/39/09/279133909.db2.gz XOAKAZCJSKPCSE-MGPQQGTHSA-N 0 3 264.417 2.455 10 0 CEAEHN C[C@H](Cc1ccccc1)CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248618630 279380889 /nfs/dbraw/zinc/38/08/89/279380889.db2.gz ZQMCRYPJURWHSG-ZACQAIPSSA-N 0 3 290.451 2.252 10 0 CEAEHN COc1ccc(CN(C)C)cc1NCc1cnn(C)c1C ZINC000093649557 279712607 /nfs/dbraw/zinc/71/26/07/279712607.db2.gz CLCYMUXEGCHTMQ-UHFFFAOYSA-N 0 3 288.395 2.411 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000245873677 280218366 /nfs/dbraw/zinc/21/83/66/280218366.db2.gz AGPQZHLSJVPPLI-MELADBBJSA-N 0 3 267.417 2.157 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000246457694 280294671 /nfs/dbraw/zinc/29/46/71/280294671.db2.gz NDDXMPIAFDAMOO-HZSPNIEDSA-N 0 3 252.402 2.125 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc(N(C)C)c2)C1 ZINC000246582830 280302323 /nfs/dbraw/zinc/30/23/23/280302323.db2.gz YIJYIRPKGFNMPD-XJKSGUPXSA-N 0 3 289.423 2.211 10 0 CEAEHN C[C@@H]1CCC[C@@H](CNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246695929 280306476 /nfs/dbraw/zinc/30/64/76/280306476.db2.gz AOZJSTAAIVNLAL-KFWWJZLASA-N 0 3 279.428 2.302 10 0 CEAEHN C(c1nc(C2CCCC2)no1)N1CCN2CCC[C@H]2C1 ZINC000246723497 280308016 /nfs/dbraw/zinc/30/80/16/280308016.db2.gz OFWFICLGXYUXBM-ZDUSSCGKSA-N 0 3 276.384 2.007 10 0 CEAEHN Cc1ccc(CN(C)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)o1 ZINC000249282679 280391089 /nfs/dbraw/zinc/39/10/89/280391089.db2.gz NEAVOZRSSJSJRX-IUODEOHRSA-N 0 3 293.411 2.458 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H]1CCSC1 ZINC000300271122 288298997 /nfs/dbraw/zinc/29/89/97/288298997.db2.gz PVIGQWARCYNHIN-RDBSUJKOSA-N 0 3 254.443 2.298 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCOC(C)(C)C ZINC000376514343 288294117 /nfs/dbraw/zinc/29/41/17/288294117.db2.gz YBHMTLPJLLMOQG-ZIAGYGMSSA-N 0 3 254.418 2.360 10 0 CEAEHN Cc1ccc2nccc(NC[C@H]3CN(C)CCO3)c2c1 ZINC000185561486 281171350 /nfs/dbraw/zinc/17/13/50/281171350.db2.gz IGHWSBDICWJOII-ZDUSSCGKSA-N 0 3 271.364 2.286 10 0 CEAEHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)cc1[O-] ZINC000175437778 288310300 /nfs/dbraw/zinc/31/03/00/288310300.db2.gz KJHOYPWTFAIJNA-UONOGXRCSA-N 0 3 288.391 2.399 10 0 CEAEHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)cc1[O-] ZINC000175437778 288310306 /nfs/dbraw/zinc/31/03/06/288310306.db2.gz KJHOYPWTFAIJNA-UONOGXRCSA-N 0 3 288.391 2.399 10 0 CEAEHN CCC[C@H](C(=O)N(C)CCc1ccccc1OC)N(C)C ZINC000152590027 289093393 /nfs/dbraw/zinc/09/33/93/289093393.db2.gz MTNSSICDNQUSSX-OAHLLOKOSA-N 0 3 292.423 2.426 10 0 CEAEHN CCC[C@@H](C(=O)N(CC)Cc1ccccn1)N(C)C ZINC000152676545 289095740 /nfs/dbraw/zinc/09/57/40/289095740.db2.gz CINIPDFGPMLOKO-AWEZNQCLSA-N 0 3 263.385 2.160 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000171077206 297474059 /nfs/dbraw/zinc/47/40/59/297474059.db2.gz GFVVYXQWVMOIDV-ZDUSSCGKSA-N 0 3 299.378 2.040 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000173763160 312683150 /nfs/dbraw/zinc/68/31/50/312683150.db2.gz OCGOIAXZTVOWNA-ZFWWWQNUSA-N 0 3 290.432 2.180 10 0 CEAEHN CCCNCc1nc(CN(C)[C@@H](C)COC)cs1 ZINC000052511216 519965250 /nfs/dbraw/zinc/96/52/50/519965250.db2.gz WLPYFTSGTUXEAP-NSHDSACASA-N 0 3 271.430 2.109 10 0 CEAEHN CCCN[C@@](CN(C)[C@@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069096703 520050306 /nfs/dbraw/zinc/05/03/06/520050306.db2.gz RCTMQOPFISZYAF-XJKSGUPXSA-N 0 3 284.444 2.428 10 0 CEAEHN CCCN[C@H](CCOc1c(C)cc(C)cc1C)C(N)=O ZINC000062541318 520078207 /nfs/dbraw/zinc/07/82/07/520078207.db2.gz SFZYWWYYGJLDDT-CQSZACIVSA-N 0 3 278.396 2.234 10 0 CEAEHN CCN[C@@H](CCSc1cccc(Cl)c1)C(N)=O ZINC000062603358 520095011 /nfs/dbraw/zinc/09/50/11/520095011.db2.gz GAZUAAMZMWQVRU-NSHDSACASA-N 0 3 272.801 2.286 10 0 CEAEHN CCCN[C@](CN(CC)CCC)(C(=O)OC)C1CC1 ZINC000069098003 520120272 /nfs/dbraw/zinc/12/02/72/520120272.db2.gz CMOWLWZHOUPZKL-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@H](C)c1cnc(Cc2ccccn2)nc1C ZINC000054962993 520180666 /nfs/dbraw/zinc/18/06/66/520180666.db2.gz CIQIRCCQFDEMOB-LLVKDONJSA-N 0 3 256.353 2.441 10 0 CEAEHN CCNc1cc(CN2CCCSCC2)ccn1 ZINC000052730883 520271555 /nfs/dbraw/zinc/27/15/55/520271555.db2.gz ODUHOXXJJNYCEW-UHFFFAOYSA-N 0 3 251.399 2.452 10 0 CEAEHN CCC[C@H](C)N(C)Cc1ccnc(C(N)=S)c1 ZINC000068752023 521036093 /nfs/dbraw/zinc/03/60/93/521036093.db2.gz FFEUJXNELWLPDX-JTQLQIEISA-N 0 3 251.399 2.336 10 0 CEAEHN CCOC(=O)[C@](CN(CC)C(C)C)(NC(C)C)C1CC1 ZINC000069097220 521339412 /nfs/dbraw/zinc/33/94/12/521339412.db2.gz OFYUADLIZQFBPC-MRXNPFEDSA-N 0 3 284.444 2.427 10 0 CEAEHN COCC[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000052792086 521942459 /nfs/dbraw/zinc/94/24/59/521942459.db2.gz XSQTVOPGVGNZSP-UONOGXRCSA-N 0 3 282.359 2.003 10 0 CEAEHN CN[C@](C)(C[C@H](C)[N@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632776 522522328 /nfs/dbraw/zinc/52/23/28/522522328.db2.gz RXFPXLDUSIARTC-JGGQBBKZSA-N 0 3 282.428 2.482 10 0 CEAEHN CC(C)(C)N1CCN(CCOc2ccccc2N)CC1 ZINC000048926387 518711218 /nfs/dbraw/zinc/71/12/18/518711218.db2.gz PDCZVQFCRLZGOQ-UHFFFAOYSA-N 0 3 277.412 2.064 10 0 CEAEHN CC(C)(C)NCc1ccccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000062729329 518765842 /nfs/dbraw/zinc/76/58/42/518765842.db2.gz ARELVLMMMIFXDD-CYBMUJFWSA-N 0 3 297.420 2.141 10 0 CEAEHN CC(C)N(CCCO)Cc1cc2ccccc2nc1N ZINC000050818051 519644532 /nfs/dbraw/zinc/64/45/32/519644532.db2.gz APIHRVJIRYOBLL-UHFFFAOYSA-N 0 3 273.380 2.410 10 0 CEAEHN CC(C)CN(CCN(C)C)c1nc(Cl)nc(Cl)n1 ZINC000061518920 519716800 /nfs/dbraw/zinc/71/68/00/519716800.db2.gz PZHWNPAFYHLYJI-UHFFFAOYSA-N 0 3 292.214 2.202 10 0 CEAEHN CC(C)CN(CCN(C)C)Cc1nc(N)ccc1Cl ZINC000061631579 519716964 /nfs/dbraw/zinc/71/69/64/519716964.db2.gz DXQILOBQWGTFSU-UHFFFAOYSA-N 0 3 284.835 2.337 10 0 CEAEHN CC(C)CN1CCN(CCc2ccccc2N)CC1 ZINC000055076951 519726013 /nfs/dbraw/zinc/72/60/13/519726013.db2.gz ZMQZSEUBBZINAI-UHFFFAOYSA-N 0 3 261.413 2.085 10 0 CEAEHN CC(C)CN1CCN([C@H](C)[C@H](O)c2ccccc2)CC1 ZINC000055080955 519728168 /nfs/dbraw/zinc/72/81/68/519728168.db2.gz VYWHXTWFDFCBNB-WBVHZDCISA-N 0 3 276.424 2.382 10 0 CEAEHN CC(C)CN1CCN([C@H]2CCc3ccccc3[C@H]2O)CC1 ZINC000055080772 519728532 /nfs/dbraw/zinc/72/85/32/519728532.db2.gz OYMBEJYFHGKIRS-ZWKOTPCHSA-N 0 3 288.435 2.308 10 0 CEAEHN CC(C)CN1CCN(c2ncc(CNC3CC3)s2)CC1 ZINC000055076346 519729068 /nfs/dbraw/zinc/72/90/68/519729068.db2.gz BVLPUJHOPPVZDU-UHFFFAOYSA-N 0 3 294.468 2.173 10 0 CEAEHN CC(C)CNCc1nnnn1-c1cccc(C(F)(F)F)c1 ZINC000054744729 519748971 /nfs/dbraw/zinc/74/89/71/519748971.db2.gz YMAFFEQBGJRLDI-UHFFFAOYSA-N 0 3 299.300 2.427 10 0 CEAEHN CC(C)[C@@H](CN(C)C)N[C@@H](c1ccco1)c1nccn1C ZINC000049198430 519793928 /nfs/dbraw/zinc/79/39/28/519793928.db2.gz KOLSFXXTTVXLOA-HIFRSBDPSA-N 0 3 290.411 2.278 10 0 CEAEHN CC(C)[C@H](CN(C)C)Nc1nc(Cl)nc(Cl)n1 ZINC000061518666 519814953 /nfs/dbraw/zinc/81/49/53/519814953.db2.gz RPZVVRKEMSYXRT-ZETCQYMHSA-N 0 3 278.187 2.177 10 0 CEAEHN CCCN1CCN(Cc2c3ccccc3oc2CN)CC1 ZINC000052421870 519858641 /nfs/dbraw/zinc/85/86/41/519858641.db2.gz RCHIZQKNKHTAHZ-UHFFFAOYSA-N 0 3 287.407 2.419 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(C(=O)OC)cc1C ZINC000061292874 519906466 /nfs/dbraw/zinc/90/64/66/519906466.db2.gz DIYLZNLPLZVKEV-UHFFFAOYSA-N 0 3 278.352 2.108 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000061291274 519906920 /nfs/dbraw/zinc/90/69/20/519906920.db2.gz QNWINKYQVLDKSA-UHFFFAOYSA-N 0 3 276.384 2.008 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000061292251 519906970 /nfs/dbraw/zinc/90/69/70/519906970.db2.gz IFDJZGZUEGCIGA-UHFFFAOYSA-N 0 3 293.342 2.037 10 0 CEAEHN CCCNCc1cccc(OC)c1OCCC(=O)OC ZINC000069317158 519954504 /nfs/dbraw/zinc/95/45/04/519954504.db2.gz URQAGAKXQJDJQW-UHFFFAOYSA-N 0 3 281.352 2.137 10 0 CEAEHN CCNCc1cc(CN(C)[C@@H](C)COC)c(C)o1 ZINC000052511916 519988599 /nfs/dbraw/zinc/98/85/99/519988599.db2.gz AKFREHJBFTVUIS-NSHDSACASA-N 0 3 254.374 2.164 10 0 CEAEHN CCNCc1ccoc1CN(C)CC(F)(F)F ZINC000052483261 520010410 /nfs/dbraw/zinc/01/04/10/520010410.db2.gz HARZFNLJYDKCDT-UHFFFAOYSA-N 0 3 250.264 2.383 10 0 CEAEHN CCNCc1cccc(OCC)c1OCCCC(=O)NC ZINC000068816242 520006570 /nfs/dbraw/zinc/00/65/70/520006570.db2.gz UINMIPAXQOZJLY-UHFFFAOYSA-N 0 3 294.395 2.100 10 0 CEAEHN CCNCc1ccccc1OC[C@H](O)C(F)(F)F ZINC000068875940 520011235 /nfs/dbraw/zinc/01/12/35/520011235.db2.gz BCCJHVNQONOBEU-NSHDSACASA-N 0 3 263.259 2.098 10 0 CEAEHN CCNCc1ccoc1Cn1nnc(-c2ccccc2)n1 ZINC000052574620 520012611 /nfs/dbraw/zinc/01/26/11/520012611.db2.gz GJALSFRVJMTWGI-UHFFFAOYSA-N 0 3 283.335 2.091 10 0 CEAEHN CCCN[C@@H](Cc1csc(C)n1)c1ccnn1C ZINC000069467904 520015251 /nfs/dbraw/zinc/01/52/51/520015251.db2.gz VCRZQCJZWFAUAL-LBPRGKRZSA-N 0 3 264.398 2.468 10 0 CEAEHN CCNCc1cnc(N2CCO[C@H](CC)C2)c(Cl)c1 ZINC000051444533 520015565 /nfs/dbraw/zinc/01/55/65/520015565.db2.gz XTRDMEXDJZCIQA-GFCCVEGCSA-N 0 3 283.803 2.460 10 0 CEAEHN CCCN[C@@H](c1ccc2c(c1)CCCO2)[C@H]1COCCO1 ZINC000055301026 520018471 /nfs/dbraw/zinc/01/84/71/520018471.db2.gz COJFPXGILKQQAP-SJORKVTESA-N 0 3 291.391 2.468 10 0 CEAEHN CCNCc1nccn1Cc1ncc(C)c(OC)c1C ZINC000051004795 520023335 /nfs/dbraw/zinc/02/33/35/520023335.db2.gz MFJDYOCLBJWTDP-UHFFFAOYSA-N 0 3 274.368 2.061 10 0 CEAEHN CCCN[C@@H]1COc2cc(OCCCC(=O)OC)ccc21 ZINC000062805071 520026966 /nfs/dbraw/zinc/02/69/66/520026966.db2.gz CMHGOXODAHXSRJ-CQSZACIVSA-N 0 3 293.363 2.452 10 0 CEAEHN CCNCc1oc(CN2CCSCC2)cc1C ZINC000052443343 520027735 /nfs/dbraw/zinc/02/77/35/520027735.db2.gz KHUOEJVTXQUTER-UHFFFAOYSA-N 0 3 254.399 2.246 10 0 CEAEHN CCCN[C@H](c1ccc(OC)c(OC)c1)[C@@H]1COCCO1 ZINC000055300393 520091096 /nfs/dbraw/zinc/09/10/96/520091096.db2.gz XYMNCLFEAHWCPY-JKSUJKDBSA-N 0 3 295.379 2.160 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1ccc(OCC)cc1 ZINC000052885532 520099247 /nfs/dbraw/zinc/09/92/47/520099247.db2.gz YQURJCGPZFCALK-HNNXBMFYSA-N 0 3 291.395 2.103 10 0 CEAEHN CCCN[C@](CN(C)[C@@H](C)CC)(C(=O)OCC)C1CC1 ZINC000069096702 520118850 /nfs/dbraw/zinc/11/88/50/520118850.db2.gz RCTMQOPFISZYAF-BBRMVZONSA-N 0 3 284.444 2.428 10 0 CEAEHN CCN[C@H](CCOc1cccc2ccccc21)C(N)=O ZINC000062550498 520193436 /nfs/dbraw/zinc/19/34/36/520193436.db2.gz IJOIMZOCWPCJEO-CQSZACIVSA-N 0 3 272.348 2.072 10 0 CEAEHN CCN[C@H](Cc1ccc2ccccc2c1)CS(C)(=O)=O ZINC000070129942 520202001 /nfs/dbraw/zinc/20/20/01/520202001.db2.gz SBHXMHHBJUJRNB-MRXNPFEDSA-N 0 3 291.416 2.405 10 0 CEAEHN CCN[C@H](Cc1nc(C)cs1)c1cnn(C)c1 ZINC000055268882 520206048 /nfs/dbraw/zinc/20/60/48/520206048.db2.gz NBTQEIGFXSAIQO-LLVKDONJSA-N 0 3 250.371 2.078 10 0 CEAEHN CCN[C@H](c1ccccc1)[C@H](CC)S(C)(=O)=O ZINC000054930458 520212316 /nfs/dbraw/zinc/21/23/16/520212316.db2.gz OGFOVIKVKPADNO-QWHCGFSZSA-N 0 3 255.383 2.160 10 0 CEAEHN CCN[C@H]1COc2cc(OC[C@@H](O)C(F)(F)F)ccc21 ZINC000068878121 520222296 /nfs/dbraw/zinc/22/22/96/520222296.db2.gz PBGADURAFSYLGL-CMPLNLGQSA-N 0 3 291.269 2.032 10 0 CEAEHN CCCOc1ccc(-n2nnnc2CNCC(C)C)cc1 ZINC000054745131 520317824 /nfs/dbraw/zinc/31/78/24/520317824.db2.gz VUFXWAUXXBYNGI-UHFFFAOYSA-N 0 3 289.383 2.197 10 0 CEAEHN CCNc1ccccc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000050777551 520337897 /nfs/dbraw/zinc/33/78/97/520337897.db2.gz MIJBRQUHLSOYGL-ZDUSSCGKSA-N 0 3 275.396 2.190 10 0 CEAEHN CCCOc1ccc([C@H](N[C@@H](C)CC)C(N)=O)cc1 ZINC000052920273 520429928 /nfs/dbraw/zinc/42/99/28/520429928.db2.gz NOYCCVZREJRQIM-FZMZJTMJSA-N 0 3 264.369 2.390 10 0 CEAEHN CCCOc1ccc([C@H](NC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000052919592 520430812 /nfs/dbraw/zinc/43/08/12/520430812.db2.gz DLUWRVISFMTRIA-HIFRSBDPSA-N 0 3 297.420 2.171 10 0 CEAEHN CCCOc1ccc([C@H](NC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000052919595 520430985 /nfs/dbraw/zinc/43/09/85/520430985.db2.gz DLUWRVISFMTRIA-ZFWWWQNUSA-N 0 3 297.420 2.171 10 0 CEAEHN CCN(CC)C(=O)COc1cc(F)ccc1[C@@H](C)NC ZINC000062746556 520490097 /nfs/dbraw/zinc/49/00/97/520490097.db2.gz VAVCCNXKJKPEJW-LLVKDONJSA-N 0 3 282.359 2.353 10 0 CEAEHN CCCOc1nc(N2CCN([C@H](C)CC)CC2)ccc1N ZINC000055066412 520495384 /nfs/dbraw/zinc/49/53/84/520495384.db2.gz RFIJXDFUCNTKLU-CYBMUJFWSA-N 0 3 292.427 2.373 10 0 CEAEHN CC1(C)CSC(NCc2ccc3c(c2)OCO3)=N1 ZINC000061675018 520513934 /nfs/dbraw/zinc/51/39/34/520513934.db2.gz QPWNTOJGTUQYKN-UHFFFAOYSA-N 0 3 264.350 2.386 10 0 CEAEHN CCN(CC)C(=O)[C@H](CN)Cc1cc(F)c(F)c(F)c1 ZINC000062706157 520536706 /nfs/dbraw/zinc/53/67/06/520536706.db2.gz YXYJNCWXBHJOTH-JTQLQIEISA-N 0 3 288.313 2.090 10 0 CEAEHN CCC[C@@H](C(=O)N(C)C[C@@H](C)c1nccs1)N(C)C ZINC000183329515 520575005 /nfs/dbraw/zinc/57/50/05/520575005.db2.gz LOMJMCNTIKUPGZ-NEPJUHHUSA-N 0 3 283.441 2.435 10 0 CEAEHN CCC[C@@H](C(=O)NC1Cc2ccccc2C1)N(C)C ZINC000183588852 520585169 /nfs/dbraw/zinc/58/51/69/520585169.db2.gz NQGUGUCWQKZZQJ-HNNXBMFYSA-N 0 3 260.381 2.000 10 0 CEAEHN CCCCNC(=O)COc1cc(F)ccc1[C@@H](C)NC ZINC000062746102 520624338 /nfs/dbraw/zinc/62/43/38/520624338.db2.gz VCLPVVSQMFKQSF-LLVKDONJSA-N 0 3 282.359 2.401 10 0 CEAEHN CCCCNC(=O)COc1ccccc1[C@@H](C)N ZINC000049279630 520626294 /nfs/dbraw/zinc/62/62/94/520626294.db2.gz XTQSTSZIYLZOFL-LLVKDONJSA-N 0 3 250.342 2.001 10 0 CEAEHN CCN(CC)C[C@H](C)Nc1nccn(C(C)(C)C)c1=O ZINC000061766143 520736154 /nfs/dbraw/zinc/73/61/54/520736154.db2.gz SFATVQARWRONIR-LBPRGKRZSA-N 0 3 280.416 2.141 10 0 CEAEHN CCC[C@@H](N[C@H](C)C(=O)NCCOC)c1cccs1 ZINC000049545057 520790473 /nfs/dbraw/zinc/79/04/73/520790473.db2.gz UYLWSVZEYPDBJL-VXGBXAGGSA-N 0 3 284.425 2.330 10 0 CEAEHN CCN(CCOC)[C@H](CN)c1cccc2cccnc21 ZINC000069502637 521137704 /nfs/dbraw/zinc/13/77/04/521137704.db2.gz JCMFORAMAABNJF-OAHLLOKOSA-N 0 3 273.380 2.203 10 0 CEAEHN CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000049569988 521214043 /nfs/dbraw/zinc/21/40/43/521214043.db2.gz ZDWBUWUPIPACBM-JTQLQIEISA-N 0 3 254.305 2.290 10 0 CEAEHN CCC(C)(C)N(C)S(=O)(=O)Cc1ccccc1CN ZINC000069446308 521306366 /nfs/dbraw/zinc/30/63/66/521306366.db2.gz UZXJVDFFKLHOSC-UHFFFAOYSA-N 0 3 284.425 2.096 10 0 CEAEHN CCOC(=O)c1c(C)c(C)sc1NC(=O)C(C)(C)NC ZINC000061318591 521389312 /nfs/dbraw/zinc/38/93/12/521389312.db2.gz ACTXHBDHKMPGGT-UHFFFAOYSA-N 0 3 298.408 2.478 10 0 CEAEHN CCN(c1c(CNC(C)(C)C)c(C)nn1C)[C@H](C)COC ZINC000062737881 521477441 /nfs/dbraw/zinc/47/74/41/521477441.db2.gz DXCBADOIWGKBOX-GFCCVEGCSA-N 0 3 296.459 2.478 10 0 CEAEHN CCN(c1nc(C)c(CNCCOC)s1)C(C)C ZINC000054996491 521504004 /nfs/dbraw/zinc/50/40/04/521504004.db2.gz SAMWTKWOJHXHPU-UHFFFAOYSA-N 0 3 271.430 2.422 10 0 CEAEHN CCC(CC)N(C)Cc1cccnc1C(N)=S ZINC000061659748 521542247 /nfs/dbraw/zinc/54/22/47/521542247.db2.gz NZGXTGAFJHAPDG-UHFFFAOYSA-N 0 3 251.399 2.336 10 0 CEAEHN CCOC1CCN(c2nc(C)c([C@@H](C)N)s2)CC1 ZINC000054896413 521658233 /nfs/dbraw/zinc/65/82/33/521658233.db2.gz SRYCNQTUSPOAGM-SECBINFHSA-N 0 3 269.414 2.477 10 0 CEAEHN CCN1CCN(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2O)CC1 ZINC000054560748 521685571 /nfs/dbraw/zinc/68/55/71/521685571.db2.gz MQORBXSUWZGWHT-PMPSAXMXSA-N 0 3 268.445 2.057 10 0 CEAEHN CCN1CCN([C@@H](CN)c2cc3ccccc3o2)CC1 ZINC000068810789 521691530 /nfs/dbraw/zinc/69/15/30/521691530.db2.gz OSMKAGBFYNALEA-AWEZNQCLSA-N 0 3 273.380 2.070 10 0 CEAEHN CCc1cccc(O[C@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000068654360 521782446 /nfs/dbraw/zinc/78/24/46/521782446.db2.gz MBSMALPVJGISAL-SJKOYZFVSA-N 0 3 290.407 2.402 10 0 CEAEHN CN(C)C[C@@H]1CCCN1CC(=O)c1cccc(F)c1 ZINC000061645608 521838697 /nfs/dbraw/zinc/83/86/97/521838697.db2.gz MXAJTTVRWQLVPI-AWEZNQCLSA-N 0 3 264.344 2.034 10 0 CEAEHN CCc1ccccc1C[C@@H](CN)C(=O)N(CC)CC ZINC000052200815 521845089 /nfs/dbraw/zinc/84/50/89/521845089.db2.gz IDYDURLVIFCFQX-HNNXBMFYSA-N 0 3 262.397 2.235 10 0 CEAEHN CN(C)C[C@H]1CCCN1CC(=O)c1ccc(F)cc1 ZINC000061645650 521866066 /nfs/dbraw/zinc/86/60/66/521866066.db2.gz MRPIVROGUWTTEE-CQSZACIVSA-N 0 3 264.344 2.034 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000061316212 521944797 /nfs/dbraw/zinc/94/47/97/521944797.db2.gz YLBMKBBLYDZXFW-UHFFFAOYSA-N 0 3 270.336 2.080 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(F)cc1OC ZINC000049569911 521955935 /nfs/dbraw/zinc/95/59/35/521955935.db2.gz ARCOIMJARHYGOQ-UFBFGSQYSA-N 0 3 254.305 2.146 10 0 CEAEHN CC[C@H](C)c1ccccc1OC[C@](NC)(C(N)=O)C1CC1 ZINC000069197824 522049810 /nfs/dbraw/zinc/04/98/10/522049810.db2.gz LGXKYGVBVYHXNU-YVEFUNNKSA-N 0 3 290.407 2.432 10 0 CEAEHN CNCc1cc(CN2CC[C@H](c3ccccc3)C2)on1 ZINC000052373084 522105863 /nfs/dbraw/zinc/10/58/63/522105863.db2.gz GYFGEDFNQLFFIO-AWEZNQCLSA-N 0 3 271.364 2.384 10 0 CEAEHN CNCc1ccc(-n2cc(-c3ccccc3)cn2)nn1 ZINC000054961999 522115139 /nfs/dbraw/zinc/11/51/39/522115139.db2.gz RDWZRBWAGRTYPK-UHFFFAOYSA-N 0 3 265.320 2.049 10 0 CEAEHN CNCc1cnc(N2CCO[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000051485741 522148367 /nfs/dbraw/zinc/14/83/67/522148367.db2.gz SDIUYOAOGBZFMP-QWHCGFSZSA-N 0 3 281.787 2.212 10 0 CEAEHN CNCc1oc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1C ZINC000052573249 522161670 /nfs/dbraw/zinc/16/16/70/522161670.db2.gz CEUCTUKFFQVFKN-LSDHHAIUSA-N 0 3 278.396 2.451 10 0 CEAEHN CN[C@@H](c1ccc(OC)cc1OC)[C@H]1CCCOC1 ZINC000062231388 522370133 /nfs/dbraw/zinc/37/01/33/522370133.db2.gz VERGEBKQXGSSFD-XHDPSFHLSA-N 0 3 265.353 2.391 10 0 CEAEHN CN[C@@H](c1ccnn1C)c1cccc(Br)c1 ZINC000069020766 522371771 /nfs/dbraw/zinc/37/17/71/522371771.db2.gz WDKCYYCEXZSDLH-GFCCVEGCSA-N 0 3 280.169 2.491 10 0 CEAEHN CN[C@@](CS[C@@H]1CCC[C@@H](C)C1)(C(N)=O)C1CC1 ZINC000069189615 522433140 /nfs/dbraw/zinc/43/31/40/522433140.db2.gz WBUDTNWFZJVPTR-MPKXVKKWSA-N 0 3 270.442 2.152 10 0 CEAEHN CN[C@H](C)c1cc(Cl)ccc1OC[C@@H](O)COC ZINC000069053759 522443970 /nfs/dbraw/zinc/44/39/70/522443970.db2.gz JMWZKWAOXVFPLT-KOLCDFICSA-N 0 3 273.760 2.007 10 0 CEAEHN CN[C@H](C)c1ccc(F)cc1OCCn1cccn1 ZINC000062746105 522447963 /nfs/dbraw/zinc/44/79/63/522447963.db2.gz HGQXBEIBNLBSKK-LLVKDONJSA-N 0 3 263.316 2.382 10 0 CEAEHN CN[C@H](C)c1cnc(N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000054900568 522453940 /nfs/dbraw/zinc/45/39/40/522453940.db2.gz PHYZGYOCTKEUFX-LPEHRKFASA-N 0 3 255.387 2.037 10 0 CEAEHN CN[C@H](Cn1nc(C)ccc1=O)c1cc(C)ccc1C ZINC000061810242 522475555 /nfs/dbraw/zinc/47/55/55/522475555.db2.gz QOQOYAUVNTUASM-OAHLLOKOSA-N 0 3 271.364 2.129 10 0 CEAEHN CN[C@H](Cc1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000050543172 522475791 /nfs/dbraw/zinc/47/57/91/522475791.db2.gz FOPRKPOHTPELJY-GFCCVEGCSA-N 0 3 269.270 2.341 10 0 CEAEHN CN[C@H]1COc2cc(OCCc3ccccn3)ccc21 ZINC000062804268 522506795 /nfs/dbraw/zinc/50/67/95/522506795.db2.gz SAVJIBNVSHRJEK-HNNXBMFYSA-N 0 3 270.332 2.356 10 0 CEAEHN CN[C@](C)(C[C@@H](C)Oc1ccc(C(C)C)cc1)C(N)=O ZINC000068655289 522520378 /nfs/dbraw/zinc/52/03/78/522520378.db2.gz HOXZNXNVMBVHKR-MLGOLLRUSA-N 0 3 278.396 2.431 10 0 CEAEHN C[NH2+][C@](C)(C[C@@H](C)N1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641737 522520632 /nfs/dbraw/zinc/52/06/32/522520632.db2.gz RHISECNTFSPNPC-UKPHBRMFSA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@](C)(C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641737 522520635 /nfs/dbraw/zinc/52/06/35/522520635.db2.gz RHISECNTFSPNPC-UKPHBRMFSA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@](C)(C[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000068641737 522520638 /nfs/dbraw/zinc/52/06/38/522520638.db2.gz RHISECNTFSPNPC-UKPHBRMFSA-N 0 3 290.407 2.317 10 0 CEAEHN CN[C@](C)(C[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000068632776 522522322 /nfs/dbraw/zinc/52/23/22/522522322.db2.gz RXFPXLDUSIARTC-JGGQBBKZSA-N 0 3 282.428 2.482 10 0 CEAEHN COC[C@H](C)N(C)Cc1csc(CNC(C)C)n1 ZINC000052511221 522595916 /nfs/dbraw/zinc/59/59/16/522595916.db2.gz MXFVVNRDNUBPMT-NSHDSACASA-N 0 3 271.430 2.108 10 0 CEAEHN COc1cc(F)ccc1NC(=O)[C@H]1CCC[C@H](C)N1 ZINC000049570466 522610899 /nfs/dbraw/zinc/61/08/99/522610899.db2.gz JDEKTDPQHOJAQP-JOYOIKCWSA-N 0 3 266.316 2.303 10 0 CEAEHN CNc1ccc(Cl)cc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000050779370 522629092 /nfs/dbraw/zinc/62/90/92/522629092.db2.gz LNKZXTJQQCQUOD-LLVKDONJSA-N 0 3 293.798 2.348 10 0 CEAEHN CC[C@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc(O)cc1 ZINC000069143105 522750571 /nfs/dbraw/zinc/75/05/71/522750571.db2.gz RSLNJTSWMFKNQP-JSGCOSHPSA-N 0 3 283.393 2.010 10 0 CEAEHN COC[C@H](O)COc1c2ccccc2ccc1[C@@H](C)N ZINC000069053623 522807108 /nfs/dbraw/zinc/80/71/08/522807108.db2.gz PYNCDDSAGIXMLM-YPMHNXCESA-N 0 3 275.348 2.246 10 0 CEAEHN COc1cc([C@@H](O)[C@@H](N)c2ccccc2)ccc1O ZINC000054681664 522912615 /nfs/dbraw/zinc/91/26/15/522912615.db2.gz PTDDSWKGFXSPGZ-LSDHHAIUSA-N 0 3 259.305 2.134 10 0 CEAEHN CC[C@H]1CCC(=O)[C@@H](CN(CCOC)[C@@H](C)COC)C1 ZINC000053930482 522993229 /nfs/dbraw/zinc/99/32/29/522993229.db2.gz ONPDCIFLGWZQSM-SOUVJXGZSA-N 0 3 285.428 2.365 10 0 CEAEHN CC[C@H]1CSC(N[C@H](C)CN2CCCCC2)=N1 ZINC000049502345 523355524 /nfs/dbraw/zinc/35/55/24/523355524.db2.gz XFEKWZVCGAIXDA-NEPJUHHUSA-N 0 3 255.431 2.332 10 0 CEAEHN CN(Cc1cccs1)Cc1ccnc(C(=N)N)c1 ZINC000068761136 523447563 /nfs/dbraw/zinc/44/75/63/523447563.db2.gz HDDRJYQDYPOEMC-UHFFFAOYSA-N 0 3 260.366 2.059 10 0 CEAEHN COc1ccc(Br)cc1Cn1cc(CN)cn1 ZINC000054716820 523502211 /nfs/dbraw/zinc/50/22/11/523502211.db2.gz OHYSXWQVQXOOLW-UHFFFAOYSA-N 0 3 296.168 2.161 10 0 CEAEHN CN(c1nc(C2CC2)c(CO)s1)C1CCN(C)CC1 ZINC000069182507 523663571 /nfs/dbraw/zinc/66/35/71/523663571.db2.gz AJGNFJMGUDCATC-UHFFFAOYSA-N 0 3 281.425 2.043 10 0 CEAEHN COc1ccc(C(C)C)cc1C(CN)(OC)OC ZINC000057539467 523794615 /nfs/dbraw/zinc/79/46/15/523794615.db2.gz QSLPLBWSACKNQU-UHFFFAOYSA-N 0 3 253.342 2.223 10 0 CEAEHN COCCNCc1ccc(OC)c(OCCOC(C)C)c1 ZINC000062732659 523951186 /nfs/dbraw/zinc/95/11/86/523951186.db2.gz USHCRCQNJRMWTB-UHFFFAOYSA-N 0 3 297.395 2.235 10 0 CEAEHN COCCNCc1cnc(N(C)CCC(C)C)s1 ZINC000054909262 523956406 /nfs/dbraw/zinc/95/64/06/523956406.db2.gz LOTDHOPNEQOUNR-UHFFFAOYSA-N 0 3 271.430 2.361 10 0 CEAEHN CCc1ccc(N(C)C(=O)c2cc[nH]c(=NN)c2)cc1 ZINC000051116941 523957503 /nfs/dbraw/zinc/95/75/03/523957503.db2.gz DCZFCXBVBWKHLH-UHFFFAOYSA-N 0 3 270.336 2.206 10 0 CEAEHN COC(=O)[C@](CN1CCCC[C@@H]1C)(NC(C)C)C1CC1 ZINC000069093843 524004796 /nfs/dbraw/zinc/00/47/96/524004796.db2.gz JQLSKYMQVYWPHD-XJKSGUPXSA-N 0 3 282.428 2.181 10 0 CEAEHN CCc1ccc([C@@H](CN)N2CCN([C@@H](C)CC)CC2)o1 ZINC000055064341 524028345 /nfs/dbraw/zinc/02/83/45/524028345.db2.gz YFAGYFKYJUKQLV-DZGCQCFKSA-N 0 3 279.428 2.258 10 0 CEAEHN C[C@@H]1CCCN(CC(=O)Nc2ccccc2CN)[C@@H]1C ZINC000050563662 524221309 /nfs/dbraw/zinc/22/13/09/524221309.db2.gz NCJWIJNWEOKUJP-CHWSQXEVSA-N 0 3 275.396 2.204 10 0 CEAEHN C[C@H](CN1CCCC1)NCc1cnc2ccccc2n1 ZINC000049150931 524317396 /nfs/dbraw/zinc/31/73/96/524317396.db2.gz CDFNSSPHPQJMSW-CYBMUJFWSA-N 0 3 270.380 2.204 10 0 CEAEHN C[C@H](CN1CCCCC1)NC(=O)c1cc(N)c(F)cc1F ZINC000049500546 524331482 /nfs/dbraw/zinc/33/14/82/524331482.db2.gz NBVZOOPSRBPEAE-SNVBAGLBSA-N 0 3 297.349 2.151 10 0 CEAEHN Cc1cc(C)cc(OC[C@](NC2CC2)(C(N)=O)C2CC2)c1 ZINC000069197371 524453808 /nfs/dbraw/zinc/45/38/08/524453808.db2.gz IKCFWCDUAOYZPJ-QGZVFWFLSA-N 0 3 288.391 2.068 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1c[nH]c2ccccc12 ZINC000049188997 524589546 /nfs/dbraw/zinc/58/95/46/524589546.db2.gz BXTKPBFEPQRJJC-LBPRGKRZSA-N 0 3 271.364 2.382 10 0 CEAEHN COc1ccc(NC(=O)[C@@H]2CCC[C@H](C)N2)c(C)c1 ZINC000061568482 524595335 /nfs/dbraw/zinc/59/53/35/524595335.db2.gz JSVFIFFPRGZLOT-FZMZJTMJSA-N 0 3 262.353 2.473 10 0 CEAEHN Cc1cc(C)nc(SCc2cccnc2CN)n1 ZINC000061658111 524602086 /nfs/dbraw/zinc/60/20/86/524602086.db2.gz HTRPXYWNUQGROU-UHFFFAOYSA-N 0 3 260.366 2.239 10 0 CEAEHN COc1ccc(NC(=O)[C@H]2NCCC[C@@H]2C)c(C)c1 ZINC000061568492 524618387 /nfs/dbraw/zinc/61/83/87/524618387.db2.gz GWHYXNKJWRKSNU-HZMBPMFUSA-N 0 3 262.353 2.330 10 0 CEAEHN C[C@H]1CN(c2nc(C3CC3)c(CN)s2)CC(C)(C)O1 ZINC000069181045 524675969 /nfs/dbraw/zinc/67/59/69/524675969.db2.gz DVOHQEUFYGGAGQ-VIFPVBQESA-N 0 3 281.425 2.483 10 0 CEAEHN Cc1cc(CNC2CC2)nc(Cc2ccncc2)n1 ZINC000054831963 524752249 /nfs/dbraw/zinc/75/22/49/524752249.db2.gz WTYQYPRYDJPWLS-UHFFFAOYSA-N 0 3 254.337 2.023 10 0 CEAEHN C[C@@H](C[C@](C)(N)C(N)=O)Oc1ccccc1C(F)(F)F ZINC000068654747 524864204 /nfs/dbraw/zinc/86/42/04/524864204.db2.gz SXWJNCMXLVEJDF-UFBFGSQYSA-N 0 3 290.285 2.066 10 0 CEAEHN C[C@@H](N)c1cc(Cl)ccc1O[C@H]1CCCCNC1=O ZINC000050209137 525023238 /nfs/dbraw/zinc/02/32/38/525023238.db2.gz DUWJKGFVSDYDPX-RNCFNFMXSA-N 0 3 282.771 2.407 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1ccc2ncccc2c1 ZINC000069133233 525097710 /nfs/dbraw/zinc/09/77/10/525097710.db2.gz BOIHFDIDYOCMDQ-VXGBXAGGSA-N 0 3 269.348 2.057 10 0 CEAEHN Cc1ccccc1CN(C)Cc1ccnc(C(=N)N)c1 ZINC000068761308 525128524 /nfs/dbraw/zinc/12/85/24/525128524.db2.gz TXNGMKIVZFGFAU-UHFFFAOYSA-N 0 3 268.364 2.306 10 0 CEAEHN C[C@@H]1CSCCN1[C@@H](CN)c1cccc(F)c1 ZINC000070218988 525171693 /nfs/dbraw/zinc/17/16/93/525171693.db2.gz MVQWKIRKVAWTKP-MFKMUULPSA-N 0 3 254.374 2.263 10 0 CEAEHN Cc1ccc(NS(=O)(=O)C[C@H]2CCCCN2)cc1C ZINC000049630803 525294011 /nfs/dbraw/zinc/29/40/11/525294011.db2.gz FCDCLSTUAJVHHH-CQSZACIVSA-N 0 3 282.409 2.187 10 0 CEAEHN C[C@]1(N[C@H]2CCCc3sccc32)CCS(=O)(=O)C1 ZINC000061326118 525302182 /nfs/dbraw/zinc/30/21/82/525302182.db2.gz PIVHIYDMNQPYEB-AAEUAGOBSA-N 0 3 285.434 2.292 10 0 CEAEHN Cc1cc(O[C@@H](C)C[C@](C)(N)C(N)=O)ccc1C(C)C ZINC000068655755 525379989 /nfs/dbraw/zinc/37/99/89/525379989.db2.gz JGSLJRQPASBPGK-LRDDRELGSA-N 0 3 278.396 2.479 10 0 CEAEHN Cc1ccc(O[C@@H](C)C[C@@](C)(NC(C)C)C(N)=O)cc1 ZINC000068653543 525462030 /nfs/dbraw/zinc/46/20/30/525462030.db2.gz NVUAGEMFTDEQGO-XJKSGUPXSA-N 0 3 278.396 2.394 10 0 CEAEHN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)C1CCN(C)CC1 ZINC000050509511 525519423 /nfs/dbraw/zinc/51/94/23/525519423.db2.gz SHGPUTGMIQCHLP-SWLSCSKDSA-N 0 3 276.380 2.132 10 0 CEAEHN C[C@@H](N[C@@H](C)C(=O)NC(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000056194656 525588313 /nfs/dbraw/zinc/58/83/13/525588313.db2.gz KLBPIOAAHGOGMO-MNOVXSKESA-N 0 3 291.395 2.218 10 0 CEAEHN C[C@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)CCC2 ZINC000069141029 525610776 /nfs/dbraw/zinc/61/07/76/525610776.db2.gz LJUUQNZFWCVLQF-LRDDRELGSA-N 0 3 293.432 2.403 10 0 CEAEHN C[C@@H](Oc1cc(F)ccc1[C@H](C)N)C(=O)N1CCCC1 ZINC000062745676 525915900 /nfs/dbraw/zinc/91/59/00/525915900.db2.gz XJANEEVZWONYRL-WDEREUQCSA-N 0 3 280.343 2.235 10 0 CEAEHN C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H]1CCCO ZINC000052762234 525966034 /nfs/dbraw/zinc/96/60/34/525966034.db2.gz ARAZYYBQULIDKC-HUUCEWRRSA-N 0 3 282.428 2.014 10 0 CEAEHN Cc1ccc2c(c1)C(=O)N(C[C@H](N)c1ccccc1)C2=O ZINC000062838753 526141701 /nfs/dbraw/zinc/14/17/01/526141701.db2.gz ATTBXOVMSHGNAR-HNNXBMFYSA-N 0 3 280.327 2.291 10 0 CEAEHN C[C@@H](c1ccncc1)N(C)C(=O)[C@H](CN)c1ccccc1 ZINC000061612217 526150257 /nfs/dbraw/zinc/15/02/57/526150257.db2.gz YBHYOIOHQMTMTD-XJKSGUPXSA-N 0 3 283.375 2.344 10 0 CEAEHN COc1cccc(NC(=O)[C@@H](CN)c2ccccc2)c1 ZINC000061610913 526195015 /nfs/dbraw/zinc/19/50/15/526195015.db2.gz MNMPYDCPFHCZRB-HNNXBMFYSA-N 0 3 270.332 2.376 10 0 CEAEHN O=C([O-])[C@H](CC[N@@H+]1CCC[C@@H]1C1CCCC1)NC1CC1 ZINC000062461012 526301567 /nfs/dbraw/zinc/30/15/67/526301567.db2.gz NESPDAPFGSOYDR-LSDHHAIUSA-N 0 3 280.412 2.236 10 0 CEAEHN O=C([O-])[C@H](CC[N@H+]1CCC[C@@H]1C1CCCC1)NC1CC1 ZINC000062461012 526301572 /nfs/dbraw/zinc/30/15/72/526301572.db2.gz NESPDAPFGSOYDR-LSDHHAIUSA-N 0 3 280.412 2.236 10 0 CEAEHN Cc1nn([C@H]2CCCC[C@H]2O)c(C)c1CNC1CC1 ZINC000054599996 526306979 /nfs/dbraw/zinc/30/69/79/526306979.db2.gz SFAZYBFQDHUMTE-LSDHHAIUSA-N 0 3 263.385 2.228 10 0 CEAEHN Cc1nnc(OCc2cccs2)c(C(=N)N)c1C ZINC000049585678 526376679 /nfs/dbraw/zinc/37/66/79/526376679.db2.gz GINZHSACUHOMIZ-UHFFFAOYSA-N 0 3 262.338 2.018 10 0 CEAEHN c1ccc([C@H]2CN=C(NC[C@H]3CCOC3)S2)cc1 ZINC000061147020 526499251 /nfs/dbraw/zinc/49/92/51/526499251.db2.gz PNXQXQKLZLLRDQ-DGCLKSJQSA-N 0 3 262.378 2.457 10 0 CEAEHN c1cn(-c2ccc(CNC3CC3)cn2)nc1C1CC1 ZINC000052885252 526524282 /nfs/dbraw/zinc/52/42/82/526524282.db2.gz RVRPKHHEPLKAMQ-UHFFFAOYSA-N 0 3 254.337 2.397 10 0 CEAEHN Cc1oc(CN2C[C@@H](C)OC(C)(C)C2)cc1CN ZINC000052543476 526773523 /nfs/dbraw/zinc/77/35/23/526773523.db2.gz IXTAOXNPIRGILK-SNVBAGLBSA-N 0 3 252.358 2.046 10 0 CEAEHN Cc1nc(CN[C@H](CN(C)C)c2ccccc2)c[nH]1 ZINC000054798385 526894978 /nfs/dbraw/zinc/89/49/78/526894978.db2.gz SFADNNGFRPVGTC-OAHLLOKOSA-N 0 3 258.369 2.111 10 0 CEAEHN Cc1ncc(CN[C@H](CN(C)C)c2ccccc2)[nH]1 ZINC000054798385 526894984 /nfs/dbraw/zinc/89/49/84/526894984.db2.gz SFADNNGFRPVGTC-OAHLLOKOSA-N 0 3 258.369 2.111 10 0 CEAEHN Cc1nc(N2CCN(C3CCCC3)CC2)sc1CO ZINC000055003702 526969060 /nfs/dbraw/zinc/96/90/60/526969060.db2.gz SIKBHBLGGCXRQO-UHFFFAOYSA-N 0 3 281.425 2.008 10 0 CEAEHN Cc1nc(N2CCOC(C)(C)C2)sc1[C@@H](C)N ZINC000054895944 526971447 /nfs/dbraw/zinc/97/14/47/526971447.db2.gz GHGCGHVWQGDHDG-MRVPVSSYSA-N 0 3 255.387 2.086 10 0 CEAEHN Cc1nc2ccc(N3CCN(C(=O)C4CCC4)CC3)cc2[nH]1 ZINC000062578702 527140166 /nfs/dbraw/zinc/14/01/66/527140166.db2.gz MMGAQZAPAVCBHN-UHFFFAOYSA-N 0 3 298.390 2.320 10 0 CEAEHN O=Cc1cnc(N2CCC(N3CCCCC3)CC2)s1 ZINC000054862616 527154493 /nfs/dbraw/zinc/15/44/93/527154493.db2.gz ZMWPLPWSABGXPU-UHFFFAOYSA-N 0 3 279.409 2.410 10 0 CEAEHN Cc1nc2ccccc2n1Cc1ccnc(CN)c1 ZINC000068750858 527170987 /nfs/dbraw/zinc/17/09/87/527170987.db2.gz UDGLBDUSCYBXCC-UHFFFAOYSA-N 0 3 252.321 2.247 10 0 CEAEHN NC[C@@H](C(=O)Nc1cccc2c[nH]nc21)c1ccccc1 ZINC000061611802 527201698 /nfs/dbraw/zinc/20/16/98/527201698.db2.gz ZFJGUADLZOYWBK-CYBMUJFWSA-N 0 3 280.331 2.244 10 0 CEAEHN NC[C@H](Oc1cccc(F)c1F)c1cccnc1 ZINC000062612764 527228981 /nfs/dbraw/zinc/22/89/81/527228981.db2.gz IOFAJNANAOBZDX-LBPRGKRZSA-N 0 3 250.248 2.439 10 0 CEAEHN NCc1cn(-c2ccccc2Cc2ccccc2)nn1 ZINC000051040656 527262397 /nfs/dbraw/zinc/26/23/97/527262397.db2.gz MCYHPQDEBNRITP-UHFFFAOYSA-N 0 3 264.332 2.317 10 0 CEAEHN NCc1ncccc1CN1CCC[C@H]1c1cccnc1 ZINC000061656600 527265089 /nfs/dbraw/zinc/26/50/89/527265089.db2.gz IBJRCDIMFDTGOZ-INIZCTEOSA-N 0 3 268.364 2.272 10 0 CEAEHN NCc1nc(OCCc2ccccn2)ccc1Cl ZINC000051543137 527265715 /nfs/dbraw/zinc/26/57/15/527265715.db2.gz UXQANGDMGSCENC-UHFFFAOYSA-N 0 3 263.728 2.210 10 0 CEAEHN NCc1sc(N2CCO[C@H]3CCC[C@@H]32)nc1C1CC1 ZINC000069180397 527269091 /nfs/dbraw/zinc/26/90/91/527269091.db2.gz KGFQCBYBSMAQDL-QWRGUYRKSA-N 0 3 279.409 2.237 10 0 CEAEHN N[C@@H]1CC(=O)N(c2cc(Br)ccc2Cl)C1 ZINC000061692325 527340809 /nfs/dbraw/zinc/34/08/09/527340809.db2.gz HRVMUXWORXATFU-SSDOTTSWSA-N 0 3 289.560 2.167 10 0 CEAEHN N[C@H](CNC(=O)Cc1ccsc1)c1ccccc1 ZINC000062838257 527387444 /nfs/dbraw/zinc/38/74/44/527387444.db2.gz IQIQQWPGCKLKBR-CYBMUJFWSA-N 0 3 260.362 2.107 10 0 CEAEHN N[C@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000054681920 527392913 /nfs/dbraw/zinc/39/29/13/527392913.db2.gz BWRHOZKZKTVQEU-HUUCEWRRSA-N 0 3 257.289 2.149 10 0 CEAEHN Nc1cnccc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000061702181 527536246 /nfs/dbraw/zinc/53/62/46/527536246.db2.gz GKPBAABOMJNBEY-CQSZACIVSA-N 0 3 269.348 2.317 10 0 CEAEHN OC[C@H](NC[C@H]1CCCO1)c1cccc2cccnc21 ZINC000069504737 527608963 /nfs/dbraw/zinc/60/89/63/527608963.db2.gz WFQURJXNJXWUQF-HIFRSBDPSA-N 0 3 272.348 2.037 10 0 CEAEHN O[C@@H](CN[C@H]1CCOc2ccccc21)c1ccco1 ZINC000070140987 527655519 /nfs/dbraw/zinc/65/55/19/527655519.db2.gz ZZGISHMNNPVLNZ-STQMWFEESA-N 0 3 259.305 2.426 10 0 CEAEHN CCO[C@@H]1C[C@@H](N(C)CCN2CCCC2=O)C12CCCC2 ZINC000121124996 527801084 /nfs/dbraw/zinc/80/10/84/527801084.db2.gz QDZPPNQCPAWEEU-HUUCEWRRSA-N 0 3 294.439 2.278 10 0 CEAEHN CCCn1cc(CN[C@H](CC(C)C)CN(C)C)cn1 ZINC000116916432 528846617 /nfs/dbraw/zinc/84/66/17/528846617.db2.gz XLVMPCBOFUHQGY-OAHLLOKOSA-N 0 3 266.433 2.359 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)C(C)C ZINC000176392336 529066263 /nfs/dbraw/zinc/06/62/63/529066263.db2.gz DEMMSRLTYHCTRB-ZIAGYGMSSA-N 0 3 269.433 2.404 10 0 CEAEHN CCCS(=O)(=O)c1ccc(N2CCNC[C@H]2CC)cc1 ZINC000110678399 535306732 /nfs/dbraw/zinc/30/67/32/535306732.db2.gz PSJCDFQNJZFZSG-CYBMUJFWSA-N 0 3 296.436 2.059 10 0 CEAEHN CN[C@@H](C)c1c(F)cccc1N1CCC(O)CC1 ZINC000034839953 536351059 /nfs/dbraw/zinc/35/10/59/536351059.db2.gz NXZJPTSNOTWSPS-JTQLQIEISA-N 0 3 252.333 2.067 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCOCC1CC1 ZINC000227599979 538763256 /nfs/dbraw/zinc/76/32/56/538763256.db2.gz XLMHFORZPCKFBB-HZPDHXFCSA-N 0 3 266.429 2.362 10 0 CEAEHN CCCCN=[S@](=O)(c1ccc(N)cc1)N(C)C ZINC000675074967 567024491 /nfs/dbraw/zinc/02/44/91/567024491.db2.gz KDUBINQSSISNFZ-QGZVFWFLSA-N 0 3 255.387 2.372 10 0 CEAEHN C[C@H](NC1CCS(=O)(=O)CC1)c1ccc(F)c(F)c1 ZINC000036331360 622668929 /nfs/dbraw/zinc/66/89/29/622668929.db2.gz MFZNDCBOCBVTAK-VIFPVBQESA-N 0 3 289.347 2.193 10 0 CEAEHN CC(C)Cc1ccc([C@H](C)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000089755276 623469703 /nfs/dbraw/zinc/46/97/03/623469703.db2.gz RZRYXZGSKBTGPQ-SWLSCSKDSA-N 0 3 288.391 2.341 10 0 CEAEHN COc1ccc(CN[C@@H](C)[C@H](C)O)c(Br)c1 ZINC000309912565 628141852 /nfs/dbraw/zinc/14/18/52/628141852.db2.gz NOCKCJTXRYNXNV-IUCAKERBSA-N 0 3 288.185 2.317 10 0 CEAEHN O=C(CCCOc1ccccc1)N[C@H]1CN2CCC1CC2 ZINC000222573606 629183615 /nfs/dbraw/zinc/18/36/15/629183615.db2.gz NKYOKASOOFDESI-INIZCTEOSA-N 0 3 288.391 2.056 10 0 CEAEHN N[C@@H](C(=O)NCCCC1CCCCC1)C1CCOCC1 ZINC000261782759 629208807 /nfs/dbraw/zinc/20/88/07/629208807.db2.gz NBZBNTWHVDAFOS-OAHLLOKOSA-N 0 3 282.428 2.217 10 0 CEAEHN CCc1ccc([C@H](C)NC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261894064 629305742 /nfs/dbraw/zinc/30/57/42/629305742.db2.gz VWRQGNOKSMSEFF-LRDDRELGSA-N 0 3 290.407 2.180 10 0 CEAEHN O[C@@H](CN1CCCOCC1)c1cc2ccccc2o1 ZINC000061932973 639728064 /nfs/dbraw/zinc/72/80/64/639728064.db2.gz ABAXPFLGHIDURC-ZDUSSCGKSA-N 0 3 261.321 2.189 10 0 CEAEHN c1cnc2cc(-c3noc([C@H]4CCCN4)n3)ccc2n1 ZINC000070432499 641664119 /nfs/dbraw/zinc/66/41/19/641664119.db2.gz ADVMBHGFAMNCRO-LLVKDONJSA-N 0 3 267.292 2.104 10 0 CEAEHN C[C@H](NCC[S@](C)=O)c1cccc(Br)c1 ZINC000128674118 651535176 /nfs/dbraw/zinc/53/51/76/651535176.db2.gz LAQRFZNSFDMOMQ-BJOHPYRUSA-N 0 3 290.226 2.478 10 0 CEAEHN Clc1cc(N2CCN(C3CCCC3)CC2)ncn1 ZINC000052064206 721851830 /nfs/dbraw/zinc/85/18/30/721851830.db2.gz BQUBUXRHUWJRET-UHFFFAOYSA-N 0 3 266.776 2.195 10 0 CEAEHN N[C@@H](Cc1ncc[nH]1)c1sccc1Br ZINC000082613856 178126414 /nfs/dbraw/zinc/12/64/14/178126414.db2.gz VPKSVPJUUAPVIL-ZETCQYMHSA-N 0 3 272.171 2.476 10 0 CEAEHN CNCc1ccc(Br)cc1Sc1nc[nH]n1 ZINC000082615991 178126589 /nfs/dbraw/zinc/12/65/89/178126589.db2.gz RIYFKADTGVDYPJ-UHFFFAOYSA-N 0 3 299.197 2.438 10 0 CEAEHN CN1CCC(NC(=O)N[C@@H]2CCC23CCCC3)CC1 ZINC000336322997 365555523 /nfs/dbraw/zinc/55/55/23/365555523.db2.gz RSVLHGCAARTIBA-CYBMUJFWSA-N 0 3 265.401 2.103 10 0 CEAEHN c1c2nc([C@@H]3CCCCN3)[nH]c2cc2c1OCCO2 ZINC000034939136 361798317 /nfs/dbraw/zinc/79/83/17/361798317.db2.gz PNLHOTANJFUFIJ-VIFPVBQESA-N 0 3 259.309 2.149 10 0 CEAEHN CN(C)CCc1nc2cc(Br)ccc2[nH]1 ZINC000082821839 178317136 /nfs/dbraw/zinc/31/71/36/178317136.db2.gz WKJWWIIDPVBCLW-UHFFFAOYSA-N 0 3 268.158 2.430 10 0 CEAEHN C[C@H](N)C(=O)Nc1ccc(Br)cc1Cl ZINC000036963723 361874527 /nfs/dbraw/zinc/87/45/27/361874527.db2.gz FNBBJKGWAPKFNZ-YFKPBYRVSA-N 0 3 277.549 2.388 10 0 CEAEHN C[C@H](NC(=O)C1(N)CCCC1)c1ccc(F)cc1F ZINC000037616360 361911644 /nfs/dbraw/zinc/91/16/44/361911644.db2.gz ZKGIWGZLKSDXRG-VIFPVBQESA-N 0 3 268.307 2.414 10 0 CEAEHN CN1CCC[C@]2(C[C@H](O)c3ccc(F)cc3O2)C1 ZINC000097005834 185150559 /nfs/dbraw/zinc/15/05/59/185150559.db2.gz BKRRGMFRMYBNIL-JSGCOSHPSA-N 0 3 251.301 2.106 10 0 CEAEHN CC(C)(C)OC(=O)N1CC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000125728975 187197852 /nfs/dbraw/zinc/19/78/52/187197852.db2.gz YQQZQWVFHGPLFJ-XQQFMLRXSA-N 0 3 296.411 2.009 10 0 CEAEHN Cc1c(CNC[C@@H]2OCCc3ccccc32)cnn1C ZINC000229810537 539178916 /nfs/dbraw/zinc/17/89/16/539178916.db2.gz VLVWHDRMUWXNCI-INIZCTEOSA-N 0 3 271.364 2.132 10 0 CEAEHN CCC[C@@H](N)C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000040833463 362004270 /nfs/dbraw/zinc/00/42/70/362004270.db2.gz NQNADFVNOYBKNF-GFCCVEGCSA-N 0 3 275.356 2.078 10 0 CEAEHN C[C@H](c1cnn(CC2CCC2)c1)N1CCC[C@@H](CO)C1 ZINC000725264283 539212471 /nfs/dbraw/zinc/21/24/71/539212471.db2.gz GZHCVUONMPDRKC-UKRRQHHQSA-N 0 3 277.412 2.449 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C1 ZINC000175980250 282199425 /nfs/dbraw/zinc/19/94/25/282199425.db2.gz XHSIMQQVCMTRHS-HHXXYDBFSA-N 0 3 298.430 2.443 10 0 CEAEHN Cc1cccc(NC[C@H]2CCN(Cc3cncnc3)C2)n1 ZINC000128268166 539253123 /nfs/dbraw/zinc/25/31/23/539253123.db2.gz LWWRIJGWVVOXJM-CQSZACIVSA-N 0 3 283.379 2.114 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CC[C@@H]1CCOC1 ZINC000300420443 539250083 /nfs/dbraw/zinc/25/00/83/539250083.db2.gz JIIULZUPHIFAPE-OAGGEKHMSA-N 0 3 266.429 2.362 10 0 CEAEHN Cc1ccc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)cc1F ZINC000126114343 187218338 /nfs/dbraw/zinc/21/83/38/187218338.db2.gz QBXDMFQUEBKHIA-HZMBPMFUSA-N 0 3 264.344 2.138 10 0 CEAEHN CCOc1ccc([C@@H](C)NC[C@H]2CN(CC)CCO2)cc1 ZINC000223622180 539268547 /nfs/dbraw/zinc/26/85/47/539268547.db2.gz QRVSMPBXIDQRJP-PBHICJAKSA-N 0 3 292.423 2.457 10 0 CEAEHN COc1c(CN[C@@H]2CCC(F)(F)C2)c(C)nn1C ZINC000310775208 539279953 /nfs/dbraw/zinc/27/99/53/539279953.db2.gz AKJIVYOCEZJWOB-SECBINFHSA-N 0 3 259.300 2.015 10 0 CEAEHN CCN1CCO[C@H](CN[C@@H](C)c2cccc(OC)c2)C1 ZINC000135735424 539288976 /nfs/dbraw/zinc/28/89/76/539288976.db2.gz GGTOPGJIBPSWIO-XJKSGUPXSA-N 0 3 278.396 2.067 10 0 CEAEHN Cc1nc(C)c(CN2C[C@H]3CCCCN3C[C@@H]2C)o1 ZINC000311863338 539286765 /nfs/dbraw/zinc/28/67/65/539286765.db2.gz SHIORJJYCXYFSW-SMDDNHRTSA-N 0 3 263.385 2.350 10 0 CEAEHN Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CO2 ZINC000013775979 343367528 /nfs/dbraw/zinc/36/75/28/343367528.db2.gz DYWYWIOQKKRAST-AWEZNQCLSA-N 0 3 271.316 2.322 10 0 CEAEHN O[C@@H]1CCC[C@@H](NCc2cccc3c2OCCCO3)C1 ZINC000037164075 343426191 /nfs/dbraw/zinc/42/61/91/343426191.db2.gz FOVGOKPPPYJCKW-ZIAGYGMSSA-N 0 3 277.364 2.241 10 0 CEAEHN COCCC1(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCCC1 ZINC000127364707 365742948 /nfs/dbraw/zinc/74/29/48/365742948.db2.gz SPRGUODNCDDQOP-GJZGRUSLSA-N 0 3 296.455 2.428 10 0 CEAEHN C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000004077111 539321556 /nfs/dbraw/zinc/32/15/56/539321556.db2.gz BVMKOCVADNIHAQ-LLVKDONJSA-N 0 3 257.341 2.241 10 0 CEAEHN C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000004077111 539321557 /nfs/dbraw/zinc/32/15/57/539321557.db2.gz BVMKOCVADNIHAQ-LLVKDONJSA-N 0 3 257.341 2.241 10 0 CEAEHN C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000004077111 539321558 /nfs/dbraw/zinc/32/15/58/539321558.db2.gz BVMKOCVADNIHAQ-LLVKDONJSA-N 0 3 257.341 2.241 10 0 CEAEHN C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000004077111 539321559 /nfs/dbraw/zinc/32/15/59/539321559.db2.gz BVMKOCVADNIHAQ-LLVKDONJSA-N 0 3 257.341 2.241 10 0 CEAEHN CCCc1nnc(NC[C@@H]2CCCN(C)C2)s1 ZINC000091482854 344164691 /nfs/dbraw/zinc/16/46/91/344164691.db2.gz NDZWOCODGBQGQZ-JTQLQIEISA-N 0 3 254.403 2.244 10 0 CEAEHN CC(C)(C)c1nc(C(F)F)cc(N2CCNCC2)n1 ZINC000117034618 344287901 /nfs/dbraw/zinc/28/79/01/344287901.db2.gz LFMXFLATDVKFQB-UHFFFAOYSA-N 0 3 270.327 2.121 10 0 CEAEHN Nc1nc2c([nH]1)-c1ccc(Br)cc1C2 ZINC000128051899 344333735 /nfs/dbraw/zinc/33/37/35/344333735.db2.gz DKWZFWXXLAGMEV-UHFFFAOYSA-N 0 3 250.099 2.326 10 0 CEAEHN COC(=O)c1csc(CN2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000602472190 347046930 /nfs/dbraw/zinc/04/69/30/347046930.db2.gz OXUXDXZEYHBUKM-DGCLKSJQSA-N 0 3 294.420 2.203 10 0 CEAEHN CC(C)(C(=O)Nc1ccc(Cl)c(F)c1)N1CCNCC1 ZINC000129629603 344345661 /nfs/dbraw/zinc/34/56/61/344345661.db2.gz OMVPLXIGVLYIQT-UHFFFAOYSA-N 0 3 299.777 2.101 10 0 CEAEHN COc1ccc2oc(Cc3cccnc3)c([O-])c2c1 ZINC000137411222 344387912 /nfs/dbraw/zinc/38/79/12/344387912.db2.gz PMZCPMAZTLGQLT-AWEZNQCLSA-N 0 3 255.273 2.277 10 0 CEAEHN COc1ccc2c(c1)C(=O)C(Cc1cccnc1)O2 ZINC000137411222 344387914 /nfs/dbraw/zinc/38/79/14/344387914.db2.gz PMZCPMAZTLGQLT-AWEZNQCLSA-N 0 3 255.273 2.277 10 0 CEAEHN O[C@]1(c2ccc(Br)cc2)CN2CCC1CC2 ZINC000140214519 344397161 /nfs/dbraw/zinc/39/71/61/344397161.db2.gz RMLARMRXQRUGCT-ZDUSSCGKSA-N 0 3 282.181 2.362 10 0 CEAEHN COc1ccc(Cn2nc(C(=N)N)cc2C2CC2)cc1 ZINC000148002396 344413149 /nfs/dbraw/zinc/41/31/49/344413149.db2.gz VXSIHRUGOPIKOA-UHFFFAOYSA-N 0 3 270.336 2.101 10 0 CEAEHN CC(C)Oc1ccccc1CC(=O)N1CC[C@H](N(C)C)C1 ZINC000170864005 344491682 /nfs/dbraw/zinc/49/16/82/344491682.db2.gz MWPGNHHAFNCQSN-HNNXBMFYSA-N 0 3 290.407 2.179 10 0 CEAEHN NCc1ccc(N2C(=O)c3ccccc3C2=O)cc1F ZINC000307034742 344719635 /nfs/dbraw/zinc/71/96/35/344719635.db2.gz UELJRAGSWHRSSC-UHFFFAOYSA-N 0 3 270.263 2.085 10 0 CEAEHN C[C@@H]1CN[C@]2(CCN(C(=O)OC(C)(C)C)C2)S1 ZINC000306586127 344715106 /nfs/dbraw/zinc/71/51/06/344715106.db2.gz RDBUOXUHBWPXHS-BXKDBHETSA-N 0 3 258.387 2.048 10 0 CEAEHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC1=NCCS1 ZINC000306889057 344718252 /nfs/dbraw/zinc/71/82/52/344718252.db2.gz WXBWTYZZQOVURU-GXTWGEPZSA-N 0 3 275.421 2.199 10 0 CEAEHN COCC[S@](=O)C[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000084035953 178775257 /nfs/dbraw/zinc/77/52/57/178775257.db2.gz LIHQFHQJMVKJIY-IFXJQAMLSA-N 0 3 283.437 2.379 10 0 CEAEHN COc1cccc([C@H]2CN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000584633715 344970697 /nfs/dbraw/zinc/97/06/97/344970697.db2.gz JCIYXQUNIYISDV-HOTGVXAUSA-N 0 3 298.386 2.298 10 0 CEAEHN O=C1CC2(CCCC2)CC(=O)N1CCN1CCCCC1 ZINC000584640446 344971970 /nfs/dbraw/zinc/97/19/70/344971970.db2.gz IVCJFMARHKRRIJ-UHFFFAOYSA-N 0 3 278.396 2.182 10 0 CEAEHN Nc1cnc2ccc(OCC(F)(F)F)cc2c1N ZINC000584882268 344996013 /nfs/dbraw/zinc/99/60/13/344996013.db2.gz YITBLFPWPMLRNT-UHFFFAOYSA-N 0 3 257.215 2.171 10 0 CEAEHN CN[C@H](C)C(=O)NCc1ccc2cc(OC)ccc2c1 ZINC000054076332 362510452 /nfs/dbraw/zinc/51/04/52/362510452.db2.gz NRWKYNBIFSIALE-LLVKDONJSA-N 0 3 272.348 2.073 10 0 CEAEHN CN[C@](C)(C[C@H](C)Sc1ccccc1F)C(N)=O ZINC000084346288 178860110 /nfs/dbraw/zinc/86/01/10/178860110.db2.gz HICKLNJYFBKPOC-TVQRCGJNSA-N 0 3 270.373 2.160 10 0 CEAEHN CN(CCO)CCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000623091686 349936217 /nfs/dbraw/zinc/93/62/17/349936217.db2.gz NYXDQTLFCZRPLG-UHFFFAOYSA-N 0 3 290.329 2.061 10 0 CEAEHN CCN[C@@H](Cc1c(Cl)c(C)nn1C)c1snnc1C ZINC000097273838 185575474 /nfs/dbraw/zinc/57/54/74/185575474.db2.gz ORROEVAYPPNFNT-VIFPVBQESA-N 0 3 299.831 2.435 10 0 CEAEHN Cc1cncc([C@@H](NN)C2(N(C)C)CCCCC2)c1 ZINC000097589193 185633834 /nfs/dbraw/zinc/63/38/34/185633834.db2.gz YKVUVUOCASGCRK-CQSZACIVSA-N 0 3 262.401 2.159 10 0 CEAEHN Cc1ccccc1OC[C@](O)(CN)c1ccccc1 ZINC000085307047 179012586 /nfs/dbraw/zinc/01/25/86/179012586.db2.gz XCIMXQGNLMMNMD-MRXNPFEDSA-N 0 3 257.333 2.220 10 0 CEAEHN N[C@@H]1COC[C@@H]1c1nc2cccc(Cl)c2s1 ZINC000085352959 179029568 /nfs/dbraw/zinc/02/95/68/179029568.db2.gz BKMOBPAEGZZCRA-POYBYMJQSA-N 0 3 254.742 2.391 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)CCc1ccccc1O ZINC000128940337 365811867 /nfs/dbraw/zinc/81/18/67/365811867.db2.gz ANPYOLNHFWVKDS-OAHLLOKOSA-N 0 3 292.423 2.417 10 0 CEAEHN C[C@](O)(CN[C@@H](CO)c1ccccc1)c1ccccc1 ZINC000063002183 362741153 /nfs/dbraw/zinc/74/11/53/362741153.db2.gz NNWBEWCINRQOQL-IRXDYDNUSA-N 0 3 271.360 2.217 10 0 CEAEHN C[C@](O)(CN[C@H](CO)c1ccccc1)c1ccccc1 ZINC000063002185 362741544 /nfs/dbraw/zinc/74/15/44/362741544.db2.gz NNWBEWCINRQOQL-SJORKVTESA-N 0 3 271.360 2.217 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)N[C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085673851 179111692 /nfs/dbraw/zinc/11/16/92/179111692.db2.gz YLTMFRUYFKBATA-XUXIUFHCSA-N 0 3 282.428 2.037 10 0 CEAEHN C[C@H](CNc1nc(Cl)ncc1Br)N(C)C ZINC000085787767 179171644 /nfs/dbraw/zinc/17/16/44/179171644.db2.gz XDRGPFDXMGSLNQ-ZCFIWIBFSA-N 0 3 293.596 2.255 10 0 CEAEHN CN(C)C[C@H](O)Cc1ccc(F)cc1Br ZINC000085794518 179173206 /nfs/dbraw/zinc/17/32/06/179173206.db2.gz MNFMQIOZQLDEDQ-SNVBAGLBSA-N 0 3 276.149 2.053 10 0 CEAEHN Cc1nc(CN(C)C[C@@H]2Cc3ccccc3CN2C)c[nH]1 ZINC000065385669 362815290 /nfs/dbraw/zinc/81/52/90/362815290.db2.gz DGAFLTHJOFDPEM-KRWDZBQOSA-N 0 3 284.407 2.207 10 0 CEAEHN Cc1ncc(CN(C)C[C@@H]2Cc3ccccc3CN2C)[nH]1 ZINC000065385669 362815293 /nfs/dbraw/zinc/81/52/93/362815293.db2.gz DGAFLTHJOFDPEM-KRWDZBQOSA-N 0 3 284.407 2.207 10 0 CEAEHN CCCCc1ccc([C@@H](N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000086020047 179217667 /nfs/dbraw/zinc/21/76/67/179217667.db2.gz CNYMYSUPKSPQBD-LSDHHAIUSA-N 0 3 281.421 2.464 10 0 CEAEHN CCN[C@@H](c1ccc(CC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000086020958 179217821 /nfs/dbraw/zinc/21/78/21/179217821.db2.gz NNWLACZKTJFJFN-GXFFZTMASA-N 0 3 287.450 2.396 10 0 CEAEHN O=C(CNC[C@H]1CCCC[C@H]1O)Nc1ccc(Cl)cc1 ZINC000085987022 179212130 /nfs/dbraw/zinc/21/21/30/179212130.db2.gz FVTNMHFTFZOIBA-BXUZGUMPSA-N 0 3 296.798 2.419 10 0 CEAEHN C[C@@H]1CC[C@H](NCc2nc3ccccc3c(=O)[nH]2)[C@@H]1C ZINC000086075545 179225761 /nfs/dbraw/zinc/22/57/61/179225761.db2.gz VVBCGMGKFMFOPL-WZRBSPASSA-N 0 3 271.364 2.447 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000086021991 179218846 /nfs/dbraw/zinc/21/88/46/179218846.db2.gz DTILVXLOEVITHJ-DOMZBBRYSA-N 0 3 297.420 2.089 10 0 CEAEHN NC[C@@H](NC[C@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333405 179273803 /nfs/dbraw/zinc/27/38/03/179273803.db2.gz UZFXKVKLAPBXAK-NXEZZACHSA-N 0 3 260.790 2.170 10 0 CEAEHN N[C@H]1CCCc2sc(N3CCCSCC3)nc21 ZINC000086443912 179294264 /nfs/dbraw/zinc/29/42/64/179294264.db2.gz WSDYKGKVTVLARP-VIFPVBQESA-N 0 3 269.439 2.423 10 0 CEAEHN C[C@H]1CSCCN1c1nc2c(s1)CCC[C@@H]2N ZINC000086444265 179294778 /nfs/dbraw/zinc/29/47/78/179294778.db2.gz FLTOBHAGYKJAFH-IUCAKERBSA-N 0 3 269.439 2.421 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(OC)c(F)c1 ZINC000086446603 179294979 /nfs/dbraw/zinc/29/49/79/179294979.db2.gz RUOQSBMSGDOGKL-QWHCGFSZSA-N 0 3 294.370 2.437 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2cccs2)[C@H](CC)CN1 ZINC000086447603 179295636 /nfs/dbraw/zinc/29/56/36/179295636.db2.gz IHOVQVVJGXKTMC-VXGBXAGGSA-N 0 3 266.410 2.280 10 0 CEAEHN C[C@H](NC1CCN(C(=O)C2CC2)CC1)c1nccs1 ZINC000086509746 179304174 /nfs/dbraw/zinc/30/41/74/179304174.db2.gz UFBOOZIFLARIRP-JTQLQIEISA-N 0 3 279.409 2.195 10 0 CEAEHN C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)CN1 ZINC000086467926 179298670 /nfs/dbraw/zinc/29/86/70/179298670.db2.gz XGTJEWOVTMSBDU-INOYMQOOSA-N 0 3 276.424 2.412 10 0 CEAEHN O[C@@H](CNC1CC1)c1cscc1Br ZINC000086558349 179307612 /nfs/dbraw/zinc/30/76/12/179307612.db2.gz GGUGIRBWBGKSMZ-VIFPVBQESA-N 0 3 262.172 2.296 10 0 CEAEHN CCN(CCOC)[C@@H](CN)c1ccc(OC)c(Cl)c1 ZINC000086594966 179310709 /nfs/dbraw/zinc/31/07/09/179310709.db2.gz RGRCYRRCRMAJCU-ZDUSSCGKSA-N 0 3 286.803 2.317 10 0 CEAEHN C[C@H](CO)CNCC(=O)Nc1c(Cl)cccc1Cl ZINC000086631462 179315148 /nfs/dbraw/zinc/31/51/48/179315148.db2.gz PENFVKJFXAYSDU-QMMMGPOBSA-N 0 3 291.178 2.150 10 0 CEAEHN C[C@H](N[C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(F)cc1 ZINC000086670914 179318093 /nfs/dbraw/zinc/31/80/93/179318093.db2.gz MQYDORZNCBTQMT-BPNCWPANSA-N 0 3 285.384 2.442 10 0 CEAEHN C[C@H]1CCC[C@@H](N(C)Cc2c[nH]c(=NN)s2)C1 ZINC000086767520 179325447 /nfs/dbraw/zinc/32/54/47/179325447.db2.gz QZWAVAKLXLGLQZ-VHSXEESVSA-N 0 3 254.403 2.439 10 0 CEAEHN CN(Cc1cnc(Cl)s1)[C@H]1CCCN(C)C1 ZINC000086776819 179329245 /nfs/dbraw/zinc/32/92/45/179329245.db2.gz QZOIMPHLHFTRRR-VIFPVBQESA-N 0 3 259.806 2.323 10 0 CEAEHN CCN1CCC[C@@](NCCOC)(c2nccs2)CC1 ZINC000086851709 179359600 /nfs/dbraw/zinc/35/96/00/179359600.db2.gz XWOUFQODTWJUKQ-AWEZNQCLSA-N 0 3 283.441 2.080 10 0 CEAEHN CC[NH+](CC)[C@@]1(C(=O)[O-])CCCN(C(C)C)CC1 ZINC000086867799 179360891 /nfs/dbraw/zinc/36/08/91/179360891.db2.gz ODPJPTZSVGQBML-AWEZNQCLSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@@H]([N@H+](C)[C@@H](CC)C(=O)[O-])CC1 ZINC000086869230 179361835 /nfs/dbraw/zinc/36/18/35/179361835.db2.gz ONJIEQLVERLGOF-OLZOCXBDSA-N 0 3 256.390 2.046 10 0 CEAEHN CCCN1CCC[C@@H]([N@@H+](C)[C@@H](CC)C(=O)[O-])CC1 ZINC000086869230 179361836 /nfs/dbraw/zinc/36/18/36/179361836.db2.gz ONJIEQLVERLGOF-OLZOCXBDSA-N 0 3 256.390 2.046 10 0 CEAEHN CC[C@H](C)[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868839 179362881 /nfs/dbraw/zinc/36/28/81/179362881.db2.gz RQVGKBRDOCOHGI-UONOGXRCSA-N 0 3 270.417 2.434 10 0 CEAEHN CC[C@H](C)[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(C)C)CC1 ZINC000086868839 179362883 /nfs/dbraw/zinc/36/28/83/179362883.db2.gz RQVGKBRDOCOHGI-UONOGXRCSA-N 0 3 270.417 2.434 10 0 CEAEHN CCOC(=O)[C@]1(NCCN(C)C)CCC[C@H](C)CC1 ZINC000086891991 179366211 /nfs/dbraw/zinc/36/62/11/179366211.db2.gz OXTPMPFXSZNCHB-ZFWWWQNUSA-N 0 3 270.417 2.040 10 0 CEAEHN CCS(=O)(=O)CCCOc1ccc(C)cc1[C@@H](C)N ZINC000086972884 179371492 /nfs/dbraw/zinc/37/14/92/179371492.db2.gz PPGXUYBWLNZKKN-GFCCVEGCSA-N 0 3 285.409 2.218 10 0 CEAEHN CC[C@@](C)(O)CN[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087027807 179381880 /nfs/dbraw/zinc/38/18/80/179381880.db2.gz MLBCDVDRQNRMQA-SWLSCSKDSA-N 0 3 264.369 2.073 10 0 CEAEHN COc1ccc([C@H](CN)NC(=O)OC(C)(C)C)cc1F ZINC000086991939 179375270 /nfs/dbraw/zinc/37/52/70/179375270.db2.gz DJISSLZFLNGBSY-NSHDSACASA-N 0 3 284.331 2.359 10 0 CEAEHN O=C(CNCC1(O)CCCCCC1)Nc1ccc(F)cc1 ZINC000087089236 179393330 /nfs/dbraw/zinc/39/33/30/179393330.db2.gz IUVRJRRUGPMDPC-UHFFFAOYSA-N 0 3 294.370 2.439 10 0 CEAEHN COc1ccc(Cl)cc1C[C@@]1(O)CCN(C2CC2)C1 ZINC000087166318 179398669 /nfs/dbraw/zinc/39/86/69/179398669.db2.gz YBNVGUFRDFMFPY-HNNXBMFYSA-N 0 3 281.783 2.490 10 0 CEAEHN CC(C)C[C@H](C)N(C)C(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000248568065 539637058 /nfs/dbraw/zinc/63/70/58/539637058.db2.gz FIGIYSVRHJTJOA-MELADBBJSA-N 0 3 270.417 2.037 10 0 CEAEHN c1ccc(CN2CCN[C@H](c3ccccn3)C2)cc1 ZINC000616631889 348540979 /nfs/dbraw/zinc/54/09/79/348540979.db2.gz HWWVTKWRCKFFRI-INIZCTEOSA-N 0 3 253.349 2.228 10 0 CEAEHN c1ccc(CN2CCCO[C@@H](c3cccnn3)C2)cc1 ZINC000616651039 348547623 /nfs/dbraw/zinc/54/76/23/348547623.db2.gz IPRLMINCQAIVCU-MRXNPFEDSA-N 0 3 269.348 2.440 10 0 CEAEHN CCN1CCCO[C@H](c2cnnc3ccccc32)C1 ZINC000616649845 348547977 /nfs/dbraw/zinc/54/79/77/348547977.db2.gz LLNZLKVFQOOYHJ-HNNXBMFYSA-N 0 3 257.337 2.413 10 0 CEAEHN C[C@H](Nc1ccc(OCCN(C)C)cc1)C(C)(C)O ZINC000087818483 179492334 /nfs/dbraw/zinc/49/23/34/179492334.db2.gz ISSXBQXZLYHZBA-LBPRGKRZSA-N 0 3 266.385 2.198 10 0 CEAEHN Nc1ccc([C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000616652756 348549226 /nfs/dbraw/zinc/54/92/26/348549226.db2.gz OQLNMOUFEKSYTH-INIZCTEOSA-N 0 3 283.375 2.458 10 0 CEAEHN CC(C)(C)OC(=O)NC[C@H]1CN(C(C)(C)C)CCCO1 ZINC000616653665 348549287 /nfs/dbraw/zinc/54/92/87/348549287.db2.gz STIDCPVSVKJMAA-LBPRGKRZSA-N 0 3 286.416 2.401 10 0 CEAEHN CCN1CCCOC[C@@H]1c1cnnc2ccccc21 ZINC000616599801 348530511 /nfs/dbraw/zinc/53/05/11/348530511.db2.gz PTFXALRYVPIVLI-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN OCCN1CCC(c2cccc3ccncc32)CC1 ZINC000616609354 348533427 /nfs/dbraw/zinc/53/34/27/348533427.db2.gz SDKKTUIQCGCGIM-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN CC(=O)Nc1ccccc1[C@@H]1CCCCN1CCO ZINC000616610462 348534017 /nfs/dbraw/zinc/53/40/17/348534017.db2.gz JFEXNTLHJAGUPR-HNNXBMFYSA-N 0 3 262.353 2.164 10 0 CEAEHN OCCN1CCC(c2ccc3ncccc3c2)CC1 ZINC000616619151 348536294 /nfs/dbraw/zinc/53/62/94/348536294.db2.gz HBXYPZYZUCYYSD-UHFFFAOYSA-N 0 3 256.349 2.407 10 0 CEAEHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C1(N)CC1 ZINC000088130206 179553500 /nfs/dbraw/zinc/55/35/00/179553500.db2.gz MMNJYEQRGDQGLR-NSHDSACASA-N 0 3 262.353 2.209 10 0 CEAEHN CCOC(=O)c1cccc([C@@H]2COCCN(CC)C2)c1 ZINC000616661838 348553016 /nfs/dbraw/zinc/55/30/16/348553016.db2.gz SQUOVHDMHCUJNE-HNNXBMFYSA-N 0 3 277.364 2.299 10 0 CEAEHN CN1CCc2ccccc2[C@H]1c1ccccc1C(N)=O ZINC000616679180 348558382 /nfs/dbraw/zinc/55/83/82/348558382.db2.gz LRSJNBCUTHHHCY-INIZCTEOSA-N 0 3 266.344 2.363 10 0 CEAEHN CC(C)(C)NS(=O)(=O)c1cccc(CNC2CC2)c1 ZINC000088976352 179688456 /nfs/dbraw/zinc/68/84/56/179688456.db2.gz OTQPZZUARHOPSG-UHFFFAOYSA-N 0 3 282.409 2.015 10 0 CEAEHN CC(C)(O)c1cc(CC2(NC3CCCCC3)COC2)no1 ZINC000067897911 362930288 /nfs/dbraw/zinc/93/02/88/362930288.db2.gz CQJKZRKSHMFCDL-UHFFFAOYSA-N 0 3 294.395 2.136 10 0 CEAEHN Cc1c(CN)cccc1S(=O)(=O)N1CCC[C@@H]1C(C)C ZINC000089051038 179693566 /nfs/dbraw/zinc/69/35/66/179693566.db2.gz KRVPXJHAELGSLN-CQSZACIVSA-N 0 3 296.436 2.263 10 0 CEAEHN CC1CCC(CO)(CN2CCOC(C)(C)C2)CC1 ZINC000089585087 179824783 /nfs/dbraw/zinc/82/47/83/179824783.db2.gz JHHAYEJNFKUGAF-UHFFFAOYSA-N 0 3 255.402 2.286 10 0 CEAEHN C[C@]1(c2nc(-c3ccc(F)c(Cl)c3)no2)COC[C@@H]1N ZINC000090573815 180007894 /nfs/dbraw/zinc/00/78/94/180007894.db2.gz ZDJISRPMUJKEGM-GWCFXTLKSA-N 0 3 297.717 2.144 10 0 CEAEHN CCN(Cc1cccc(Cl)c1)C(=O)[C@@]1(C)COC[C@@H]1N ZINC000090592285 180009926 /nfs/dbraw/zinc/00/99/26/180009926.db2.gz QOHARZQLKBDCQS-ZFWWWQNUSA-N 0 3 296.798 2.052 10 0 CEAEHN Cn1ncc2c1CCC[C@@H]2NCCc1cscn1 ZINC000104438898 186002347 /nfs/dbraw/zinc/00/23/47/186002347.db2.gz DCPDSDDHVIJFOA-LBPRGKRZSA-N 0 3 262.382 2.086 10 0 CEAEHN C[C@@H](O[C@H](C)C(F)(F)F)C(=O)Nc1ccccc1CN ZINC000090671989 180021101 /nfs/dbraw/zinc/02/11/01/180021101.db2.gz HBKHWLYFJXOWQO-RKDXNWHRSA-N 0 3 290.285 2.440 10 0 CEAEHN CC(C)Oc1cc(Nc2ccccc2CN)ncn1 ZINC000090786632 180041006 /nfs/dbraw/zinc/04/10/06/180041006.db2.gz ROQOBHXJQLHDEJ-UHFFFAOYSA-N 0 3 258.325 2.466 10 0 CEAEHN CCOc1ncnc(N[C@@H]2CCCN(CC)C2)c1C ZINC000090790927 180042275 /nfs/dbraw/zinc/04/22/75/180042275.db2.gz OKJCCUJVAIQOCQ-GFCCVEGCSA-N 0 3 264.373 2.080 10 0 CEAEHN CCOc1ncnc(NC2CCN(CC)CC2)c1C ZINC000090790919 180042298 /nfs/dbraw/zinc/04/22/98/180042298.db2.gz UGUCMMPKUSWBKC-UHFFFAOYSA-N 0 3 264.373 2.080 10 0 CEAEHN COc1ncnc(NCCN2CCCCCC2)c1C ZINC000090790956 180042865 /nfs/dbraw/zinc/04/28/65/180042865.db2.gz ZWZDVJODBSXMII-UHFFFAOYSA-N 0 3 264.373 2.082 10 0 CEAEHN CCOc1ncnc(N[C@@H](CN(C)C)C(C)C)c1C ZINC000090791054 180042981 /nfs/dbraw/zinc/04/29/81/180042981.db2.gz JRIYNIPZWWHSSK-LBPRGKRZSA-N 0 3 266.389 2.182 10 0 CEAEHN C[C@H](CN[C@@H](C)c1ccnc(Cl)c1)[S@](C)=O ZINC000090843041 180044641 /nfs/dbraw/zinc/04/46/41/180044641.db2.gz MJDKQOWOIOSAAH-YNEJBJPTSA-N 0 3 260.790 2.153 10 0 CEAEHN CCOC(=O)[C@@H](C)Sc1cccc(CNCCOC)c1 ZINC000090873255 180050250 /nfs/dbraw/zinc/05/02/50/180050250.db2.gz ORYCTRRFRLNLSN-GFCCVEGCSA-N 0 3 297.420 2.466 10 0 CEAEHN Cc1ccc2c(c1)C[C@@H](CNCc1cccnc1)O2 ZINC000090897283 180057206 /nfs/dbraw/zinc/05/72/06/180057206.db2.gz KJBOHDVFDQERQJ-HNNXBMFYSA-N 0 3 254.333 2.483 10 0 CEAEHN OC[C@@H]1CCCN1C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090901079 180059313 /nfs/dbraw/zinc/05/93/13/180059313.db2.gz UDKBYYUYLPMZDM-QWHCGFSZSA-N 0 3 267.756 2.100 10 0 CEAEHN CCOc1ccc([C@H](CN2C[C@H]3CC[C@@H](C2)O3)NC)cc1 ZINC000090906144 180060741 /nfs/dbraw/zinc/06/07/41/180060741.db2.gz WCLDBWAKNCDKIW-BBWFWOEESA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090908143 180061909 /nfs/dbraw/zinc/06/19/09/180061909.db2.gz UNAMBXSRYKVIEP-GARJFASQSA-N 0 3 267.398 2.181 10 0 CEAEHN CCCNCc1csc(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000090908325 180062142 /nfs/dbraw/zinc/06/21/42/180062142.db2.gz MHBURAYBGUPRRP-TXEJJXNPSA-N 0 3 267.398 2.010 10 0 CEAEHN COCCNCc1cnn([C@@H](C)C2CC2)c1C1CC1 ZINC000091338100 180136566 /nfs/dbraw/zinc/13/65/66/180136566.db2.gz WKVGGZYKIBWMRW-NSHDSACASA-N 0 3 263.385 2.468 10 0 CEAEHN CCc1c(CNCCOC)cnn1CCC(C)C ZINC000091338226 180136603 /nfs/dbraw/zinc/13/66/03/180136603.db2.gz VXTQSJSKGGRYKB-UHFFFAOYSA-N 0 3 253.390 2.228 10 0 CEAEHN Cc1n[nH]c(C)c1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091359576 180140254 /nfs/dbraw/zinc/14/02/54/180140254.db2.gz DQUVZCIIKIYOGE-AGIUHOORSA-N 0 3 276.384 2.276 10 0 CEAEHN O=C(Nc1ccccc1CO)[C@@H]1CC[C@H]2CCCC[C@@H]2N1 ZINC000091359860 180141046 /nfs/dbraw/zinc/14/10/46/180141046.db2.gz CUPRULQODXHVNI-INWMFGNUSA-N 0 3 288.391 2.428 10 0 CEAEHN C[C@H](CO)CSc1nc2ccccc2cc1CN ZINC000091259664 180115905 /nfs/dbraw/zinc/11/59/05/180115905.db2.gz SMMWAVPOJXRVCY-SNVBAGLBSA-N 0 3 262.378 2.414 10 0 CEAEHN Fc1cccc2c1nc(C[C@H]1CNCCO1)n2C1CC1 ZINC000091293294 180124176 /nfs/dbraw/zinc/12/41/76/180124176.db2.gz HRVVPEXSMPMXIH-NSHDSACASA-N 0 3 275.327 2.041 10 0 CEAEHN CC(=O)c1sc(N2CCC[C@H](N(C)C)C2)nc1C ZINC000091432971 180153407 /nfs/dbraw/zinc/15/34/07/180153407.db2.gz HNUNEFAGTBGNSS-NSHDSACASA-N 0 3 267.398 2.185 10 0 CEAEHN CNc1ccc(C)cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000091432724 180153819 /nfs/dbraw/zinc/15/38/19/180153819.db2.gz CFVOWDGMESAMGW-CYBMUJFWSA-N 0 3 275.396 2.203 10 0 CEAEHN OC1CC(N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000091431618 180153915 /nfs/dbraw/zinc/15/39/15/180153915.db2.gz SPLMGJBUOAQDBB-RTYFJBAXSA-N 0 3 298.180 2.386 10 0 CEAEHN CNCc1cncc(OCc2ccc(Cl)cc2)n1 ZINC000091435548 180154184 /nfs/dbraw/zinc/15/41/84/180154184.db2.gz YDJUJSPJDMMJFF-UHFFFAOYSA-N 0 3 263.728 2.428 10 0 CEAEHN Cc1ccc(C(F)(F)F)cc1N1CC[C@@H](N)C1=O ZINC000091480199 180166723 /nfs/dbraw/zinc/16/67/23/180166723.db2.gz ORUDKKCKGYLVLZ-SECBINFHSA-N 0 3 258.243 2.078 10 0 CEAEHN COc1ccc(F)c(CN2C[C@@H](C)[C@](O)(C3CC3)C2)c1 ZINC000091390967 180144568 /nfs/dbraw/zinc/14/45/68/180144568.db2.gz JPHBVBKYQVSOBH-BZNIZROVSA-N 0 3 279.355 2.427 10 0 CEAEHN CC(=O)C(C)(C)CN1CCN(C2CCCC2)CC1 ZINC000091402036 180147540 /nfs/dbraw/zinc/14/75/40/180147540.db2.gz TWUFAORCIRNTHQ-UHFFFAOYSA-N 0 3 252.402 2.162 10 0 CEAEHN COc1cc2c(cc1OC)CN(CC(C)(C)[C@H](C)O)CC2 ZINC000091405705 180147765 /nfs/dbraw/zinc/14/77/65/180147765.db2.gz XHMMQRLQHPTJOJ-LBPRGKRZSA-N 0 3 293.407 2.469 10 0 CEAEHN CNCc1cncc(N2c3ccccc3C[C@H]2C)n1 ZINC000091418629 180150170 /nfs/dbraw/zinc/15/01/70/180150170.db2.gz TYYKSWCAAWRXHV-LLVKDONJSA-N 0 3 254.337 2.279 10 0 CEAEHN CC(C)CNCc1cncc(-n2cc(C(F)(F)F)cn2)n1 ZINC000091422558 180151144 /nfs/dbraw/zinc/15/11/44/180151144.db2.gz KLLZAFPTQWOXPV-UHFFFAOYSA-N 0 3 299.300 2.427 10 0 CEAEHN CCCNCc1cncc(-n2cnc3ccccc32)n1 ZINC000091422370 180151206 /nfs/dbraw/zinc/15/12/06/180151206.db2.gz BFVCHGHSNLAJAQ-UHFFFAOYSA-N 0 3 267.336 2.315 10 0 CEAEHN CN[C@@H](c1cc(C)cnc1N)C(C)(C)N1CCCCC1 ZINC000091564926 180193243 /nfs/dbraw/zinc/19/32/43/180193243.db2.gz DKEKSLPTZAJJEW-AWEZNQCLSA-N 0 3 276.428 2.497 10 0 CEAEHN CCn1nccc1[C@@H](N)C(C)(C)N1CCCCC1 ZINC000091564355 180193305 /nfs/dbraw/zinc/19/33/05/180193305.db2.gz YOXAMTFBOZCPRW-CYBMUJFWSA-N 0 3 250.390 2.167 10 0 CEAEHN CCn1ccnc1[C@@H](NC)C(C)(C)N1CCCCC1 ZINC000091564923 180193739 /nfs/dbraw/zinc/19/37/39/180193739.db2.gz IRBCHXFXHNJZCF-CYBMUJFWSA-N 0 3 264.417 2.428 10 0 CEAEHN CC1CCC([C@H](O)C(C)(C)N2CCOCC2)CC1 ZINC000091566040 180193957 /nfs/dbraw/zinc/19/39/57/180193957.db2.gz XCCUHQTZUWALAS-RUXDESIVSA-N 0 3 255.402 2.284 10 0 CEAEHN CC(C)([C@H](N)c1cccc(F)c1F)N1CCOCC1 ZINC000091566367 180194027 /nfs/dbraw/zinc/19/40/27/180194027.db2.gz KISRWULERKTLHX-CYBMUJFWSA-N 0 3 270.323 2.075 10 0 CEAEHN CC[C@@](C)([C@@H](N)c1ccc(C)cc1)N1CCOCC1 ZINC000091611655 180206149 /nfs/dbraw/zinc/20/61/49/180206149.db2.gz IDORQKXWNVHMDC-HOTGVXAUSA-N 0 3 262.397 2.496 10 0 CEAEHN CC[C@@](C)([C@H](NC)c1ccoc1)N1CCOCC1 ZINC000091612629 180207466 /nfs/dbraw/zinc/20/74/66/180207466.db2.gz XPJYHSHDDHTVSS-KGLIPLIRSA-N 0 3 252.358 2.041 10 0 CEAEHN CN[C@@H](c1cc(OC)ccc1OC)C(C)(C)N(C)C ZINC000091528843 180180292 /nfs/dbraw/zinc/18/02/92/180180292.db2.gz DBOKMJOQESFKOY-AWEZNQCLSA-N 0 3 266.385 2.305 10 0 CEAEHN CN[C@H](c1cccc(Cl)c1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721193 180239209 /nfs/dbraw/zinc/23/92/09/180239209.db2.gz SWSXVHLDMKGAAJ-QLFBSQMISA-N 0 3 280.799 2.464 10 0 CEAEHN CN[C@H](c1cnccn1)C1(N2CCCC2)CCCC1 ZINC000091640876 180213426 /nfs/dbraw/zinc/21/34/26/180213426.db2.gz IAIPMKQKSWIXRO-CQSZACIVSA-N 0 3 260.385 2.146 10 0 CEAEHN N[C@H](c1ccccc1)C1(N2CCOCC2)CCCC1 ZINC000091642952 180214185 /nfs/dbraw/zinc/21/41/85/180214185.db2.gz BYAHRPYOHVERML-OAHLLOKOSA-N 0 3 260.381 2.331 10 0 CEAEHN CN[C@H](c1cncnc1)[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000091652589 180217156 /nfs/dbraw/zinc/21/71/56/180217156.db2.gz URSSWVRGXGMWTA-YUELXQCFSA-N 0 3 262.401 2.248 10 0 CEAEHN CCN1CCC[C@@H]1CNc1nc(Cl)ncc1F ZINC000091655233 180217261 /nfs/dbraw/zinc/21/72/61/180217261.db2.gz YXZLRMBCAQNEPZ-MRVPVSSYSA-N 0 3 258.728 2.165 10 0 CEAEHN CCOc1ccccc1[C@@H](C)NC[C@H]1CN(C)CCO1 ZINC000091666721 180222280 /nfs/dbraw/zinc/22/22/80/180222280.db2.gz JZVHYXGJGJJZPB-KGLIPLIRSA-N 0 3 278.396 2.067 10 0 CEAEHN Cc1nc(Cl)c(NC[C@@H]2CN3CCC[C@@H]3CO2)nc1C ZINC000091677122 180225481 /nfs/dbraw/zinc/22/54/81/180225481.db2.gz ZSLDFUXCBGABPK-VXGBXAGGSA-N 0 3 296.802 2.022 10 0 CEAEHN CN[C@H](c1ccc(OC(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000091717606 180232659 /nfs/dbraw/zinc/23/26/59/180232659.db2.gz RZPMPTUDQWIRFW-HZPDHXFCSA-N 0 3 278.396 2.065 10 0 CEAEHN CCN[C@@H](c1csc(C)c1)[C@@H]1CN(C)CCO1 ZINC000091718810 180233357 /nfs/dbraw/zinc/23/33/57/180233357.db2.gz XECCIUAVKLJUBK-STQMWFEESA-N 0 3 254.399 2.038 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@H]1O)c1ccc(Cl)s1 ZINC000624235088 350238703 /nfs/dbraw/zinc/23/87/03/350238703.db2.gz DFMMYHJFFSGKGD-XHNCKOQMSA-N 0 3 261.774 2.202 10 0 CEAEHN COC(=O)c1ccc([C@@H](C)N(C)[C@@H]2CCCN(C)C2)o1 ZINC000091782211 180253863 /nfs/dbraw/zinc/25/38/63/180253863.db2.gz NLECURJNQGAOTC-VXGBXAGGSA-N 0 3 280.368 2.153 10 0 CEAEHN Cc1ccc(C)n1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000091795685 180258151 /nfs/dbraw/zinc/25/81/51/180258151.db2.gz KMJDVPQTOBYEOP-OAHLLOKOSA-N 0 3 269.348 2.062 10 0 CEAEHN CCCNCc1nc(C)ccc1O[C@H](C)C(=O)OCC ZINC000091995208 180302012 /nfs/dbraw/zinc/30/20/12/180302012.db2.gz XHYRHOOWAREIIJ-GFCCVEGCSA-N 0 3 280.368 2.220 10 0 CEAEHN C[NH2+]CC[C@H]1CCCCN1Cc1nc(C)ccc1[O-] ZINC000091996172 180302083 /nfs/dbraw/zinc/30/20/83/180302083.db2.gz KKLJZNKLHYICGB-CYBMUJFWSA-N 0 3 263.385 2.060 10 0 CEAEHN Cc1ncc(CNC(C)(C)CO)n1-c1ccccc1 ZINC000092128748 180329417 /nfs/dbraw/zinc/32/94/17/180329417.db2.gz BOYUNKPFBCQGCL-UHFFFAOYSA-N 0 3 259.353 2.041 10 0 CEAEHN CCNCc1cnn(C[C@H]2COc3ccccc32)c1 ZINC000092306697 180360816 /nfs/dbraw/zinc/36/08/16/180360816.db2.gz DGOQFFHKXLBECP-ZDUSSCGKSA-N 0 3 257.337 2.169 10 0 CEAEHN CNCc1cnc(C)n1C[C@@H]1COc2ccccc21 ZINC000092306744 180360629 /nfs/dbraw/zinc/36/06/29/180360629.db2.gz BDQGWVVBQNCDIB-GFCCVEGCSA-N 0 3 257.337 2.087 10 0 CEAEHN CCc1nn(-c2ccc(OC)cc2)c(CC)c1CN ZINC000092320066 180361736 /nfs/dbraw/zinc/36/17/36/180361736.db2.gz SRFIGXOGZIPVKL-UHFFFAOYSA-N 0 3 259.353 2.464 10 0 CEAEHN CC[C@H]1CN(Cc2ccc(F)cc2)CCN1C[C@@H](C)O ZINC000106101649 186101262 /nfs/dbraw/zinc/10/12/62/186101262.db2.gz JZVFCYNWBUCZGI-CJNGLKHVSA-N 0 3 280.387 2.103 10 0 CEAEHN CC1(C)C[C@H]1N[C@@H]1CC(=O)N(C2CCCCCC2)C1=O ZINC000106071188 186101932 /nfs/dbraw/zinc/10/19/32/186101932.db2.gz OBHYARIRFYRKAK-CHWSQXEVSA-N 0 3 278.396 2.225 10 0 CEAEHN CCn1cc([C@]2(N)CCCc3ccc(OC)cc32)cn1 ZINC000092367208 180369416 /nfs/dbraw/zinc/36/94/16/180369416.db2.gz DVARWWHXHJRJMH-MRXNPFEDSA-N 0 3 271.364 2.450 10 0 CEAEHN CCNc1cccc(CN(CC)[C@@H](C)COC)n1 ZINC000092368745 180370299 /nfs/dbraw/zinc/37/02/99/180370299.db2.gz IQDYNJKEMRJPKN-LBPRGKRZSA-N 0 3 251.374 2.370 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H]([S@](=O)CC(C)C)CC2 ZINC000092388894 180375491 /nfs/dbraw/zinc/37/54/91/180375491.db2.gz ZDRIQHAFGLUACM-DOXZYTNZSA-N 0 3 281.421 2.415 10 0 CEAEHN CC(C)[C@H]1CSC(NCCOCC(F)(F)F)=N1 ZINC000092402712 180378088 /nfs/dbraw/zinc/37/80/88/180378088.db2.gz DVONTUKSSDKFBZ-MRVPVSSYSA-N 0 3 270.320 2.282 10 0 CEAEHN CCN1CCN(Cc2cc(Cl)ccn2)C[C@@H]1C ZINC000092416771 180380756 /nfs/dbraw/zinc/38/07/56/180380756.db2.gz VKZWRFWMGSOLJW-NSHDSACASA-N 0 3 253.777 2.261 10 0 CEAEHN CCCNc1ccnc(CN2CCSCC2)c1 ZINC000092417886 180381358 /nfs/dbraw/zinc/38/13/58/180381358.db2.gz JNOBRCUSMGUFJR-UHFFFAOYSA-N 0 3 251.399 2.452 10 0 CEAEHN CCNc1ccnc(CN2CCCC[C@H]2CCO)c1 ZINC000092417993 180381594 /nfs/dbraw/zinc/38/15/94/180381594.db2.gz LNEWJVDZNJVZOY-HNNXBMFYSA-N 0 3 263.385 2.250 10 0 CEAEHN Nc1ccnc(CSc2nnc3n2CCCCC3)c1 ZINC000092420819 180382649 /nfs/dbraw/zinc/38/26/49/180382649.db2.gz QYDLNZLBJNOXFJ-UHFFFAOYSA-N 0 3 275.381 2.274 10 0 CEAEHN COc1ccc2c(c1)[C@@H](N)[C@@H](n1ccnc1C)CC2 ZINC000092386062 180373806 /nfs/dbraw/zinc/37/38/06/180373806.db2.gz HNCKXJPVBWPNSY-LSDHHAIUSA-N 0 3 257.337 2.387 10 0 CEAEHN CC[C@@H](C)N[C@]1(C(N)=O)CCCc2ccc(OC)cc21 ZINC000092384978 180373909 /nfs/dbraw/zinc/37/39/09/180373909.db2.gz SGECSRPUEOOLJS-BDJLRTHQSA-N 0 3 276.380 2.100 10 0 CEAEHN CN[C@@H]1c2cc(OC)ccc2CC[C@H]1OC[C@@H]1CCOC1 ZINC000092386742 180374217 /nfs/dbraw/zinc/37/42/17/180374217.db2.gz PWORUANIJYOTCF-CSMYWGQOSA-N 0 3 291.391 2.324 10 0 CEAEHN CC1CCC(CN[C@H]2CC(=O)N(C3CCCC3)C2=O)CC1 ZINC000109180726 186244850 /nfs/dbraw/zinc/24/48/50/186244850.db2.gz NYYMTSHOSAIUCR-PIMMBPRGSA-N 0 3 292.423 2.472 10 0 CEAEHN CCN[C@H](COC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000109496744 186256930 /nfs/dbraw/zinc/25/69/30/186256930.db2.gz ISKRFLJMDYDNDU-ZDUSSCGKSA-N 0 3 275.352 2.212 10 0 CEAEHN CCOc1ccc([C@@H](CO[C@@H]2CCOC2)NC)cc1 ZINC000110526676 186301315 /nfs/dbraw/zinc/30/13/15/186301315.db2.gz HATPPLABERNPRM-HUUCEWRRSA-N 0 3 265.353 2.151 10 0 CEAEHN CCN(C)CCn1c2cc(OC)c(F)cc2[nH]c1=S ZINC000110629050 186306593 /nfs/dbraw/zinc/30/65/93/186306593.db2.gz DXTMGLKKLWMKRN-UHFFFAOYSA-N 0 3 283.372 2.424 10 0 CEAEHN C[C@H](NCc1n[nH]nc1-c1ccccc1)[C@@H]1CCCO1 ZINC000110924510 186333861 /nfs/dbraw/zinc/33/38/61/186333861.db2.gz HJPSJKYYXRQLKD-FZMZJTMJSA-N 0 3 272.352 2.129 10 0 CEAEHN C[C@H](NCc1[nH]nnc1-c1ccccc1)[C@@H]1CCCO1 ZINC000110924510 186333863 /nfs/dbraw/zinc/33/38/63/186333863.db2.gz HJPSJKYYXRQLKD-FZMZJTMJSA-N 0 3 272.352 2.129 10 0 CEAEHN CCN[C@H](C)c1ccc(C)cc1O[C@@H]1CCOC1=O ZINC000110960779 186337533 /nfs/dbraw/zinc/33/75/33/186337533.db2.gz DQTQXWGMRJQRKB-DGCLKSJQSA-N 0 3 263.337 2.360 10 0 CEAEHN CCOc1ccccc1[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000110736542 186318313 /nfs/dbraw/zinc/31/83/13/186318313.db2.gz LZFULISVFNIZMW-HNNXBMFYSA-N 0 3 292.423 2.145 10 0 CEAEHN Cc1ccc([C@@H](O)[C@@H](C)N2CCN(C)C(C)(C)C2)cc1 ZINC000110736504 186318635 /nfs/dbraw/zinc/31/86/35/186318635.db2.gz ZNSNNUVWUBBKBA-ZBFHGGJFSA-N 0 3 276.424 2.443 10 0 CEAEHN CC[C@@H]1CN(Cc2ccoc2CNC(C)C)CCN1C ZINC000110753876 186322181 /nfs/dbraw/zinc/32/21/81/186322181.db2.gz HHGCIECONXGVCY-OAHLLOKOSA-N 0 3 279.428 2.304 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)[C@@](C)(N)C1CC1 ZINC000110777791 186324229 /nfs/dbraw/zinc/32/42/29/186324229.db2.gz XBQSWNLPERODJT-AWEZNQCLSA-N 0 3 296.392 2.299 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc(F)c2F)CCCO1 ZINC000111040002 186346733 /nfs/dbraw/zinc/34/67/33/186346733.db2.gz PBKRCKASUNORCM-MFKMUULPSA-N 0 3 270.323 2.075 10 0 CEAEHN CN(CC1CCOCC1)[C@@H](CN)c1cc(F)ccc1F ZINC000111159844 186361992 /nfs/dbraw/zinc/36/19/92/186361992.db2.gz SYGYAQZLNOHBOP-HNNXBMFYSA-N 0 3 284.350 2.323 10 0 CEAEHN CCCOCCOC[C@H](NC)c1ccc2c(c1)OCCO2 ZINC000111107881 186352586 /nfs/dbraw/zinc/35/25/86/186352586.db2.gz PRTQDHOZMABAIY-AWEZNQCLSA-N 0 3 295.379 2.162 10 0 CEAEHN CCOCCN(CC)C[C@@H](O)c1ccc(OCC)cc1 ZINC000111121408 186354289 /nfs/dbraw/zinc/35/42/89/186354289.db2.gz PMDMMNXBXCLXSF-MRXNPFEDSA-N 0 3 281.396 2.477 10 0 CEAEHN CCCNCc1c(C)nn(C)c1N(CC)CCOCC ZINC000111120617 186354976 /nfs/dbraw/zinc/35/49/76/186354976.db2.gz KEAPGDIGUQDIHE-UHFFFAOYSA-N 0 3 282.432 2.091 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@H](C)COC ZINC000251850446 539808638 /nfs/dbraw/zinc/80/86/38/539808638.db2.gz RSGVMGKRZWMWHP-ZNMIVQPWSA-N 0 3 254.418 2.218 10 0 CEAEHN CC[C@@H]1CN(Cc2c(N)cccc2Cl)CCN1C ZINC000111332540 186401417 /nfs/dbraw/zinc/40/14/17/186401417.db2.gz ULJAMDVHBDAAKF-LLVKDONJSA-N 0 3 267.804 2.448 10 0 CEAEHN CCOC(OCC)c1nc(CCN(CC)CC)no1 ZINC000111347356 186402894 /nfs/dbraw/zinc/40/28/94/186402894.db2.gz JAVKYSDKZNSTBO-UHFFFAOYSA-N 0 3 271.361 2.026 10 0 CEAEHN NCc1ccc(C(=O)NCCC2CCCCC2)nc1 ZINC000111281657 186388153 /nfs/dbraw/zinc/38/81/53/186388153.db2.gz QKQCPGYRXYREAX-UHFFFAOYSA-N 0 3 261.369 2.241 10 0 CEAEHN Clc1ccc(Br)cc1OC1CNC1 ZINC000069717717 362994841 /nfs/dbraw/zinc/99/48/41/362994841.db2.gz SHPNIROIPCAGPF-UHFFFAOYSA-N 0 3 262.534 2.453 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccncc1C ZINC000122076915 187014091 /nfs/dbraw/zinc/01/40/91/187014091.db2.gz OUSUWCFAHXBRHY-ZDUSSCGKSA-N 0 3 276.384 2.338 10 0 CEAEHN CCC[C@@H](C(=O)N(C)CCc1cccs1)N(C)C ZINC000122583092 187039664 /nfs/dbraw/zinc/03/96/64/187039664.db2.gz KLGMIUBOHKTNSG-ZDUSSCGKSA-N 0 3 268.426 2.479 10 0 CEAEHN CC[C@H](O)CN1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000123534576 187097710 /nfs/dbraw/zinc/09/77/10/187097710.db2.gz QYULDCUXLJBEMX-HNNXBMFYSA-N 0 3 280.387 2.023 10 0 CEAEHN O[C@H]1CCCC[C@H]1CNCc1ccncc1Br ZINC000631077496 351951930 /nfs/dbraw/zinc/95/19/30/351951930.db2.gz GGWVQPPUTITFDA-AAEUAGOBSA-N 0 3 299.212 2.485 10 0 CEAEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1nc2c(s1)CCC2 ZINC000678830323 539927478 /nfs/dbraw/zinc/92/74/78/539927478.db2.gz KMNWLAWRICWBLZ-NEPJUHHUSA-N 0 3 277.437 2.300 10 0 CEAEHN COC(=O)[C@H](C)CN[C@H](C)c1cccc(OC)c1 ZINC000148270731 187916755 /nfs/dbraw/zinc/91/67/55/187916755.db2.gz UZVZUPYJLZOCKJ-GHMZBOCLSA-N 0 3 251.326 2.155 10 0 CEAEHN CCOc1cc(NCc2ccc3c(c2)CNC3)nc(C)n1 ZINC000097829945 539953249 /nfs/dbraw/zinc/95/32/49/539953249.db2.gz JICBKHDGGOTQPJ-UHFFFAOYSA-N 0 3 284.363 2.399 10 0 CEAEHN CCC[C@H](C(=O)N(C)CCOCc1ccccc1)N(C)C ZINC000153897794 188110904 /nfs/dbraw/zinc/11/09/04/188110904.db2.gz YPUUVMVONCHSEV-MRXNPFEDSA-N 0 3 292.423 2.392 10 0 CEAEHN Cc1ccoc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155318858 188198816 /nfs/dbraw/zinc/19/88/16/188198816.db2.gz NUUWKNSSIFEBDC-RYUDHWBXSA-N 0 3 250.342 2.047 10 0 CEAEHN C[C@H](N)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000157188382 188301992 /nfs/dbraw/zinc/30/19/92/188301992.db2.gz PYXWFZMLKFMWBB-NSHDSACASA-N 0 3 274.320 2.282 10 0 CEAEHN C[C@@H](N)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000157188539 188302133 /nfs/dbraw/zinc/30/21/33/188302133.db2.gz PYXWFZMLKFMWBB-LLVKDONJSA-N 0 3 274.320 2.282 10 0 CEAEHN CCC[C@@H](C(=O)NCCCNc1ccc(C)cn1)N(C)C ZINC000162402321 188571529 /nfs/dbraw/zinc/57/15/29/188571529.db2.gz YPBGFIUXEFAXQR-AWEZNQCLSA-N 0 3 292.427 2.039 10 0 CEAEHN CCOC(=O)c1csc(N(C)C[C@@H]2CCCN2CC)n1 ZINC000133162172 366200632 /nfs/dbraw/zinc/20/06/32/366200632.db2.gz GWWJXVCEDLQCNB-NSHDSACASA-N 0 3 297.424 2.240 10 0 CEAEHN Cc1cccc([C@H](C)NC[C@@H](O)COC[C@@H]2CCCO2)c1 ZINC000157329821 540038710 /nfs/dbraw/zinc/03/87/10/540038710.db2.gz UROGMSUESHBWKC-UAGQMJEPSA-N 0 3 293.407 2.202 10 0 CEAEHN CCN=[S@](=O)(c1ccc(N)cc1)N(C)C(C)C ZINC000675074578 540116017 /nfs/dbraw/zinc/11/60/17/540116017.db2.gz FZEGVNRXYNTYIH-QGZVFWFLSA-N 0 3 255.387 2.371 10 0 CEAEHN CC[C@H]1CN(C[C@H](O)COCc2ccccc2)CCS1 ZINC000076072658 363517735 /nfs/dbraw/zinc/51/77/35/363517735.db2.gz IEPZOKOYBGRBSV-HOTGVXAUSA-N 0 3 295.448 2.392 10 0 CEAEHN CCc1ncc(CNCCn2cc(C)cn2)s1 ZINC000227760983 538767175 /nfs/dbraw/zinc/76/71/75/538767175.db2.gz BDRHTLVLZMKYLW-UHFFFAOYSA-N 0 3 250.371 2.000 10 0 CEAEHN CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)C(C)C ZINC000079122211 363580390 /nfs/dbraw/zinc/58/03/90/363580390.db2.gz YEVQOVXUYPZIEU-ZDUSSCGKSA-N 0 3 257.422 2.260 10 0 CEAEHN O[C@@H]1CCC[C@H](CN2CCOCC23CCCC3)C1 ZINC000388534048 540327943 /nfs/dbraw/zinc/32/79/43/540327943.db2.gz MLJDURPLNOXZCU-UONOGXRCSA-N 0 3 253.386 2.183 10 0 CEAEHN Cc1ncc(CN(C)C[C@H]2CCC[C@@H](O)C2)s1 ZINC000310098494 540335944 /nfs/dbraw/zinc/33/59/44/540335944.db2.gz AQUXFTXXXHHUQC-NWDGAFQWSA-N 0 3 254.399 2.434 10 0 CEAEHN Cc1ncc(CN(C)C[C@H]2CCC[C@H](O)C2)s1 ZINC000310098495 540336018 /nfs/dbraw/zinc/33/60/18/540336018.db2.gz AQUXFTXXXHHUQC-RYUDHWBXSA-N 0 3 254.399 2.434 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccc(OC)cc2)C1 ZINC000157146001 540351674 /nfs/dbraw/zinc/35/16/74/540351674.db2.gz SSSMZTXFFLNQLU-CZUORRHYSA-N 0 3 278.396 2.067 10 0 CEAEHN CN(C(=O)[C@]1(C)CCCCN1)c1ccc(F)c(F)c1 ZINC000180935022 540363401 /nfs/dbraw/zinc/36/34/01/540363401.db2.gz DQSFALUGIQZDMD-AWEZNQCLSA-N 0 3 268.307 2.460 10 0 CEAEHN COc1cc2c(cc1CN[C@@H]1CCC[C@@H](O)C1)O[C@H](C)C2 ZINC000228983107 540417132 /nfs/dbraw/zinc/41/71/32/540417132.db2.gz IKTDYMZVPJUUPI-KCPJHIHWSA-N 0 3 291.391 2.412 10 0 CEAEHN COC(CN1CCC[C@@H]1C[C@H](O)c1ccccc1)OC ZINC000136776240 366525635 /nfs/dbraw/zinc/52/56/35/366525635.db2.gz NFTZARVVKIZPOG-CABCVRRESA-N 0 3 279.380 2.193 10 0 CEAEHN CCO[C@H]1C[C@@H](N(C)CC(OC)OC)C12CCCC2 ZINC000136795887 366527223 /nfs/dbraw/zinc/52/72/23/366527223.db2.gz XGSMWAMLSAGCIQ-OLZOCXBDSA-N 0 3 271.401 2.275 10 0 CEAEHN CC[C@@H](COC)N[C@@H](CN(C)C)c1ccccc1 ZINC000079707080 363622300 /nfs/dbraw/zinc/62/23/00/363622300.db2.gz RASSDOPVLBFRLH-GJZGRUSLSA-N 0 3 250.386 2.304 10 0 CEAEHN CNC(=O)[C@@H]1CCCN1CC(C)(C)c1ccccc1 ZINC000179786524 542257364 /nfs/dbraw/zinc/25/73/64/542257364.db2.gz PXLBYTDZEQGWEF-AWEZNQCLSA-N 0 3 260.381 2.175 10 0 CEAEHN CC1=[N+]([O-])C2(CCCCC2)[N+]([O-])=C1c1ccccc1 ZINC000144520534 366570825 /nfs/dbraw/zinc/57/08/25/366570825.db2.gz CIQNIHOZKHSLCU-UHFFFAOYSA-N 0 3 260.337 2.414 10 0 CEAEHN c1ccc(CN2CCNC[C@@H]2c2ccccn2)cc1 ZINC000144316308 366571709 /nfs/dbraw/zinc/57/17/09/366571709.db2.gz ZTYKJZAIGOFPJT-MRXNPFEDSA-N 0 3 253.349 2.228 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1cc(Cl)ccc1OC ZINC000236963825 370667405 /nfs/dbraw/zinc/66/74/05/370667405.db2.gz ZFAFEIXWMJTFQE-LLVKDONJSA-N 0 3 270.760 2.092 10 0 CEAEHN Cc1cccnc1NC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000177029286 189021763 /nfs/dbraw/zinc/02/17/63/189021763.db2.gz ZOWWVGYAOTVDDV-STQMWFEESA-N 0 3 276.384 2.240 10 0 CEAEHN COC(=O)[C@@H](C)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000217900781 291219304 /nfs/dbraw/zinc/21/93/04/291219304.db2.gz NPWJOOWAZAFWQK-DTWKUNHWSA-N 0 3 253.264 2.070 10 0 CEAEHN COC(=O)c1cc(CN2CCN3CCCC[C@@H]3C2)oc1C ZINC000177763454 189068156 /nfs/dbraw/zinc/06/81/56/189068156.db2.gz ORCTYQGMEBMTTQ-CYBMUJFWSA-N 0 3 292.379 2.045 10 0 CEAEHN C[C@@H](CS(C)(=O)=O)N[C@@H]1CCCCc2ccccc21 ZINC000081902010 363745452 /nfs/dbraw/zinc/74/54/52/363745452.db2.gz ZETVJIVSQJCZLD-SWLSCSKDSA-N 0 3 281.421 2.477 10 0 CEAEHN Cc1nccn1C[C@@H]1CCCN1CCC(=O)OC(C)(C)C ZINC000178297444 189103819 /nfs/dbraw/zinc/10/38/19/189103819.db2.gz LGVAARNILLXFOJ-AWEZNQCLSA-N 0 3 293.411 2.388 10 0 CEAEHN CCC[C@H](C(=O)NCCOc1ccccc1C)N(C)C ZINC000178651353 189134670 /nfs/dbraw/zinc/13/46/70/189134670.db2.gz MIRSDDISCPFCLO-CQSZACIVSA-N 0 3 278.396 2.220 10 0 CEAEHN CN(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccccc1 ZINC000179651532 189210389 /nfs/dbraw/zinc/21/03/89/189210389.db2.gz KKCUYYIHEIZLBY-IRXDYDNUSA-N 0 3 298.386 2.139 10 0 CEAEHN CN(C)C[C@@H](NC(=O)[C@@H](O)c1ccccc1)c1ccccc1 ZINC000179651543 189210450 /nfs/dbraw/zinc/21/04/50/189210450.db2.gz KKCUYYIHEIZLBY-SJORKVTESA-N 0 3 298.386 2.139 10 0 CEAEHN CCc1cnc(CN[C@H]2CCCCC[C@H]2O)s1 ZINC000342207847 216260622 /nfs/dbraw/zinc/26/06/22/216260622.db2.gz UBYAOBSAKZMDFL-NWDGAFQWSA-N 0 3 254.399 2.489 10 0 CEAEHN O[C@]12CCCC[C@@H]1CN(Cc1cnn3ccccc13)CC2 ZINC000179840241 189223268 /nfs/dbraw/zinc/22/32/68/189223268.db2.gz HHONUDSKDSPXJG-WBVHZDCISA-N 0 3 285.391 2.461 10 0 CEAEHN CCC1(NCc2csc(COC)n2)CCOCC1 ZINC000677752413 541041231 /nfs/dbraw/zinc/04/12/31/541041231.db2.gz YLDYKANGOAUEAV-UHFFFAOYSA-N 0 3 270.398 2.338 10 0 CEAEHN O[C@H]1CCCN[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000003622560 361286629 /nfs/dbraw/zinc/28/66/29/361286629.db2.gz XMOKTMYFZDJYQI-IRXDYDNUSA-N 0 3 283.371 2.035 10 0 CEAEHN CCC[C@H](N)C(=O)NCc1ccc(Cl)cc1OCC ZINC000182702807 189332338 /nfs/dbraw/zinc/33/23/38/189332338.db2.gz QFJZJTYOVTVUMN-LBPRGKRZSA-N 0 3 284.787 2.482 10 0 CEAEHN CCC[C@H](N)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000155066680 366804910 /nfs/dbraw/zinc/80/49/10/366804910.db2.gz HFHDLXYGIOCWOF-ZDUSSCGKSA-N 0 3 291.395 2.199 10 0 CEAEHN OC1CC(CNCc2sccc2Br)C1 ZINC000084449155 363811487 /nfs/dbraw/zinc/81/14/87/363811487.db2.gz IOEXBJIBEARKKZ-UHFFFAOYSA-N 0 3 276.199 2.371 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(Cl)n1 ZINC000092627438 364089374 /nfs/dbraw/zinc/08/93/74/364089374.db2.gz PRDDTHYFUILKQG-NSHDSACASA-N 0 3 281.787 2.291 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1n[nH]c2ccccc21 ZINC000092667291 364096898 /nfs/dbraw/zinc/09/68/98/364096898.db2.gz AVMUOBFPWOXJJJ-GFCCVEGCSA-N 0 3 286.379 2.119 10 0 CEAEHN Cc1ccc(N2CCCN(Cc3ncccc3C)CC2)nn1 ZINC000093172356 364146570 /nfs/dbraw/zinc/14/65/70/364146570.db2.gz JQEHBOBCJNZCGX-UHFFFAOYSA-N 0 3 297.406 2.201 10 0 CEAEHN COc1c(CN2C[C@@H]3CCCC[C@@H]3C2)c(C)nn1C ZINC000093442032 364180926 /nfs/dbraw/zinc/18/09/26/364180926.db2.gz OZJHDMMRVQWKJC-BETUJISGSA-N 0 3 263.385 2.359 10 0 CEAEHN O[C@@H](CCN1CCN2CCCC[C@@H]2C1)c1ccccc1 ZINC000094443027 364276053 /nfs/dbraw/zinc/27/60/53/364276053.db2.gz UJBQPABTRJGAOI-SJORKVTESA-N 0 3 274.408 2.280 10 0 CEAEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1cnc(Cl)s1 ZINC000094342846 364269625 /nfs/dbraw/zinc/26/96/25/364269625.db2.gz SHTSFNXDHZCVLX-NXEZZACHSA-N 0 3 271.817 2.465 10 0 CEAEHN CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccccn2)C1 ZINC000095083971 364335878 /nfs/dbraw/zinc/33/58/78/364335878.db2.gz FUAKTACZTBFCQM-CYBMUJFWSA-N 0 3 291.395 2.428 10 0 CEAEHN Cc1noc(C)c1CNc1nc2cc(N)ccc2[nH]1 ZINC000094771288 364293703 /nfs/dbraw/zinc/29/37/03/364293703.db2.gz DKUKKOGUMCWWLN-UHFFFAOYSA-N 0 3 257.297 2.362 10 0 CEAEHN Cc1noc(C)c1CNc1nc2ccc(N)cc2[nH]1 ZINC000094771288 364293714 /nfs/dbraw/zinc/29/37/14/364293714.db2.gz DKUKKOGUMCWWLN-UHFFFAOYSA-N 0 3 257.297 2.362 10 0 CEAEHN CCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCC1 ZINC000158969209 366863496 /nfs/dbraw/zinc/86/34/96/366863496.db2.gz OQRDKCZILUISOJ-QWHCGFSZSA-N 0 3 252.402 2.412 10 0 CEAEHN CC(C)CCO[C@H](C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158987019 366865809 /nfs/dbraw/zinc/86/58/09/366865809.db2.gz UHBNLBDQRBOZBY-ZNMIVQPWSA-N 0 3 284.444 2.283 10 0 CEAEHN COc1cc(OCCN2CCCCC2)ccc1N ZINC000104248097 364688527 /nfs/dbraw/zinc/68/85/27/364688527.db2.gz ZBLCEAIMVHHMOC-UHFFFAOYSA-N 0 3 250.342 2.142 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(Cc2ccccn2)C1 ZINC000103475504 364659356 /nfs/dbraw/zinc/65/93/56/364659356.db2.gz JHZSZOOXXMWQGZ-ZDUSSCGKSA-N 0 3 271.368 2.073 10 0 CEAEHN CC(C)[C@@H](C)NC(=O)N(C)CC1CCN(C)CC1 ZINC000103507584 364662131 /nfs/dbraw/zinc/66/21/31/364662131.db2.gz YMBCFGXTGVKLEE-GFCCVEGCSA-N 0 3 255.406 2.014 10 0 CEAEHN CC[C@@H](C)CN(C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000111836878 364764017 /nfs/dbraw/zinc/76/40/17/364764017.db2.gz YVYRILBVVCLCSV-CHWSQXEVSA-N 0 3 255.406 2.158 10 0 CEAEHN COc1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)ccc1C ZINC000113227875 364876636 /nfs/dbraw/zinc/87/66/36/364876636.db2.gz HXLVGQIOORKBOM-DZGCQCFKSA-N 0 3 288.391 2.312 10 0 CEAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)cc1F ZINC000335768413 364954092 /nfs/dbraw/zinc/95/40/92/364954092.db2.gz GKXFCISJWBAKTJ-PRHODGIISA-N 0 3 270.735 2.236 10 0 CEAEHN Cc1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)c(C)c1 ZINC000118787104 365179463 /nfs/dbraw/zinc/17/94/63/365179463.db2.gz IFHBOTTVGKDWTM-CQSZACIVSA-N 0 3 291.395 2.098 10 0 CEAEHN CC(C)CCn1cccc1CN[C@@H]1CCc2ncnn2C1 ZINC000119120558 365221113 /nfs/dbraw/zinc/22/11/13/365221113.db2.gz DSOQXDYCHOOREM-CQSZACIVSA-N 0 3 287.411 2.230 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccnc(OC(C)C)c1)N(C)C ZINC000120412428 365421388 /nfs/dbraw/zinc/42/13/88/365421388.db2.gz SOLHZXPUPVUPLG-CQSZACIVSA-N 0 3 293.411 2.215 10 0 CEAEHN CC[C@@H]1CN(Cc2ccc(F)c(C)c2)CCN1C[C@@H](C)O ZINC000120718180 365463895 /nfs/dbraw/zinc/46/38/95/365463895.db2.gz MKIMFKJSTJGCOV-GDBMZVCRSA-N 0 3 294.414 2.411 10 0 CEAEHN CN(C)C[C@@H]1CN(CCCC2CCCC2)CCO1 ZINC000120610888 365449388 /nfs/dbraw/zinc/44/93/88/365449388.db2.gz NAEACGXOIBTNDE-OAHLLOKOSA-N 0 3 254.418 2.219 10 0 CEAEHN CCC[C@H](C(=O)NCc1cc(F)ccc1F)N(C)C ZINC000162021553 367131619 /nfs/dbraw/zinc/13/16/19/367131619.db2.gz NJOODEFSCQXTEW-CYBMUJFWSA-N 0 3 270.323 2.311 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccccc1CN(C)C)N(C)C ZINC000162129445 367139278 /nfs/dbraw/zinc/13/92/78/367139278.db2.gz QNBVXYBKEFJHPK-MRXNPFEDSA-N 0 3 291.439 2.095 10 0 CEAEHN CCC[C@H](C(=O)NCc1ccccc1OCC)N(C)C ZINC000161725663 367109250 /nfs/dbraw/zinc/10/92/50/367109250.db2.gz BHOXJSRAMWHEFH-CQSZACIVSA-N 0 3 278.396 2.432 10 0 CEAEHN CCC[C@H](C(=O)N[C@@H](C)Cc1c(C)noc1C)N(C)C ZINC000162673748 367178241 /nfs/dbraw/zinc/17/82/41/367178241.db2.gz BDVJFPVRWDWQJZ-IINYFYTJSA-N 0 3 281.400 2.069 10 0 CEAEHN CCC[C@H](C(=O)N[C@H](C)c1nc(C(C)(C)C)no1)N(C)C ZINC000162354013 367154960 /nfs/dbraw/zinc/15/49/60/367154960.db2.gz YRVKFZDSXJKIAT-GHMZBOCLSA-N 0 3 296.415 2.275 10 0 CEAEHN CC[C@@H](C(=O)N1CCC[C@H](c2nc(C)cs2)C1)N(C)C ZINC000163788051 367265143 /nfs/dbraw/zinc/26/51/43/367265143.db2.gz BXEQNENAKLJVEC-STQMWFEESA-N 0 3 295.452 2.498 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc3scnc3c2)C1 ZINC000171083740 367474669 /nfs/dbraw/zinc/47/46/69/367474669.db2.gz MQROOHBXZZWWPB-LLVKDONJSA-N 0 3 290.392 2.464 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cccc3ncccc32)C1 ZINC000170856415 367433227 /nfs/dbraw/zinc/43/32/27/367433227.db2.gz FKQDKXYYNPLTDV-LBPRGKRZSA-N 0 3 269.348 2.011 10 0 CEAEHN C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)c(F)c1 ZINC000170861257 367433745 /nfs/dbraw/zinc/43/37/45/367433745.db2.gz GXOVXZPZPUMBNA-ZYHUDNBSSA-N 0 3 297.349 2.371 10 0 CEAEHN Cc1ccccc1C(C)(C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000170864238 367434854 /nfs/dbraw/zinc/43/48/54/367434854.db2.gz XMZKHFCRLFAEHL-CQSZACIVSA-N 0 3 274.408 2.435 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC000170862349 367434939 /nfs/dbraw/zinc/43/49/39/367434939.db2.gz NJEKTPMQJBVAIK-MRVPVSSYSA-N 0 3 258.774 2.178 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000170864489 367435742 /nfs/dbraw/zinc/43/57/42/367435742.db2.gz OXZKUEICISQGFK-CQSZACIVSA-N 0 3 269.348 2.011 10 0 CEAEHN COc1ccccc1[C@@H](C)CC(=O)N1CC[C@H](N(C)C)C1 ZINC000171303152 367519404 /nfs/dbraw/zinc/51/94/04/367519404.db2.gz PCTGCZCDZMEFKN-KBPBESRZSA-N 0 3 290.407 2.351 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000171777963 367614068 /nfs/dbraw/zinc/61/40/68/367614068.db2.gz YKCBLUQXJYBADS-CQSZACIVSA-N 0 3 283.375 2.458 10 0 CEAEHN C[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1cccs1 ZINC000171898098 367635905 /nfs/dbraw/zinc/63/59/05/367635905.db2.gz WRPWMCZQIBTLSI-NWDGAFQWSA-N 0 3 279.409 2.299 10 0 CEAEHN CC[C@@H](O)CN1CCN([C@H](C)CCc2ccccc2)CC1 ZINC000172355762 367724639 /nfs/dbraw/zinc/72/46/39/367724639.db2.gz JEQDNCKYCWVYGO-SJLPKXTDSA-N 0 3 290.451 2.396 10 0 CEAEHN CC[C@@H](C(=O)OC)N1CC[C@H](CNc2cccc(C)n2)C1 ZINC000172434058 367742213 /nfs/dbraw/zinc/74/22/13/367742213.db2.gz ZWSOMUCAZAZOAG-KGLIPLIRSA-N 0 3 291.395 2.075 10 0 CEAEHN CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccs1 ZINC000172604069 367786672 /nfs/dbraw/zinc/78/66/72/367786672.db2.gz HUFJMKBWYQYBJL-UWVGGRQHSA-N 0 3 283.397 2.021 10 0 CEAEHN CCSCCN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000172771272 367815232 /nfs/dbraw/zinc/81/52/32/367815232.db2.gz YDDCNESGIRHGMU-LBPRGKRZSA-N 0 3 269.414 2.386 10 0 CEAEHN C[C@@H](CN[C@@H](C)c1ccc(F)c(F)c1)N1CCOCC1 ZINC000173306936 367894945 /nfs/dbraw/zinc/89/49/45/367894945.db2.gz JAHQATDBNBFIGV-RYUDHWBXSA-N 0 3 284.350 2.336 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000173763147 367941783 /nfs/dbraw/zinc/94/17/83/367941783.db2.gz OCGOIAXZTVOWNA-HIFRSBDPSA-N 0 3 290.432 2.180 10 0 CEAEHN C[C@@H](CCOc1ccccc1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000174288868 368005811 /nfs/dbraw/zinc/00/58/11/368005811.db2.gz PDNALGPPNMPMEL-LSDHHAIUSA-N 0 3 290.407 2.254 10 0 CEAEHN CCN1CCC[C@H]1CN(C)Cc1nc(-c2ccco2)no1 ZINC000175354549 368128563 /nfs/dbraw/zinc/12/85/63/368128563.db2.gz JCGWXUQAPHFJTA-LBPRGKRZSA-N 0 3 290.367 2.246 10 0 CEAEHN CC(C)OC(=O)CCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000181747688 368490413 /nfs/dbraw/zinc/49/04/13/368490413.db2.gz FSFUSXOALFOHQF-GFCCVEGCSA-N 0 3 293.363 2.450 10 0 CEAEHN CCN1CCC[C@@H](Nc2cncc(SC)n2)C1 ZINC000183919254 368656887 /nfs/dbraw/zinc/65/68/87/368656887.db2.gz WEUVXRATCBTQEB-SNVBAGLBSA-N 0 3 252.387 2.095 10 0 CEAEHN CCO[C@@H]1C[C@H](NCc2ccoc2)C12CCOCC2 ZINC000186267504 368947854 /nfs/dbraw/zinc/94/78/54/368947854.db2.gz RQVZROZUXNKELL-UONOGXRCSA-N 0 3 265.353 2.343 10 0 CEAEHN CCc1ccccc1CN1CCN(C[C@@H](O)CC)CC1 ZINC000189042836 369448316 /nfs/dbraw/zinc/44/83/16/369448316.db2.gz BMCABOVLIRDTTB-KRWDZBQOSA-N 0 3 276.424 2.138 10 0 CEAEHN CCCCOC[C@H](O)CN(C)Cc1ccccc1 ZINC000193245513 369909537 /nfs/dbraw/zinc/90/95/37/369909537.db2.gz JXIKWKSPJDVBHJ-OAHLLOKOSA-N 0 3 251.370 2.296 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCn1ccnc1 ZINC000183162311 284189724 /nfs/dbraw/zinc/18/97/24/284189724.db2.gz LXOTVEZEZVELPZ-ILXRZTDVSA-N 0 3 291.395 2.079 10 0 CEAEHN CCN[C@H](C)C(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000637892930 370152001 /nfs/dbraw/zinc/15/20/01/370152001.db2.gz DQBPGRGXRFVUPY-NWDGAFQWSA-N 0 3 264.369 2.179 10 0 CEAEHN C[C@H](O)C1CCN(Cc2cccc3c2NCC3)CC1 ZINC000220369015 370231998 /nfs/dbraw/zinc/23/19/98/370231998.db2.gz MYUDNMXEZONHLA-LBPRGKRZSA-N 0 3 260.381 2.247 10 0 CEAEHN CCN(C[C@H]1CCCO1)C[C@@](C)(O)c1ccccc1 ZINC000226149552 370329154 /nfs/dbraw/zinc/32/91/54/370329154.db2.gz ZEBKUEYOMKPUSP-HZPDHXFCSA-N 0 3 263.381 2.395 10 0 CEAEHN Cc1nn(C)cc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000230944918 370471291 /nfs/dbraw/zinc/47/12/91/370471291.db2.gz HTFPKYXUNRUKQX-OAHLLOKOSA-N 0 3 270.380 2.415 10 0 CEAEHN Cc1cc(Br)cc(NC(=O)[C@@H](C)N)c1 ZINC000232069073 370500201 /nfs/dbraw/zinc/50/02/01/370500201.db2.gz SWBLEFMPERQMIF-SSDOTTSWSA-N 0 3 257.131 2.043 10 0 CEAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1sccc1OC ZINC000246868156 371022365 /nfs/dbraw/zinc/02/23/65/371022365.db2.gz DSEGEHKKDOJSSF-NEPJUHHUSA-N 0 3 294.420 2.456 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC000246961292 371037839 /nfs/dbraw/zinc/03/78/39/371037839.db2.gz FUMUAKRFVMDBJN-IINYFYTJSA-N 0 3 282.334 2.423 10 0 CEAEHN CCCSCC(=O)N1C[C@@H]2CCCN2C[C@H]1CC ZINC000246963470 371038658 /nfs/dbraw/zinc/03/86/58/371038658.db2.gz MVHVDTSXGPSLHL-OLZOCXBDSA-N 0 3 270.442 2.215 10 0 CEAEHN CCOCCN1CCN(CCOCCC(C)C)C[C@H]1C ZINC000247243717 371081431 /nfs/dbraw/zinc/08/14/31/371081431.db2.gz SOYBMCHPZMBFNQ-MRXNPFEDSA-N 0 3 286.460 2.092 10 0 CEAEHN Cc1cnc([C@H](C)NC(=O)N2CCN3CCC[C@H]3C2)s1 ZINC000247250928 371083511 /nfs/dbraw/zinc/08/35/11/371083511.db2.gz UMFLJPJZNZVNNU-RYUDHWBXSA-N 0 3 294.424 2.002 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccccc2F)C1 ZINC000247451259 371109246 /nfs/dbraw/zinc/10/92/46/371109246.db2.gz SSOWSYBHLKPVDD-SMDDNHRTSA-N 0 3 264.344 2.284 10 0 CEAEHN Cc1csc([C@H](C)NC(=O)N2CCN3CCC[C@H]3C2)n1 ZINC000247496031 371115736 /nfs/dbraw/zinc/11/57/36/371115736.db2.gz MREXONKPCDSSCB-RYUDHWBXSA-N 0 3 294.424 2.002 10 0 CEAEHN Cc1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)nc1 ZINC000248429511 371194014 /nfs/dbraw/zinc/19/40/14/371194014.db2.gz ABHOWHIXFPBMRJ-OLZOCXBDSA-N 0 3 276.384 2.240 10 0 CEAEHN C[C@@](O)(CN1CCN2CCCC[C@H]2C1)c1ccccc1 ZINC000248368392 371180676 /nfs/dbraw/zinc/18/06/76/371180676.db2.gz VDOVNDXQHKMBAO-DLBZAZTESA-N 0 3 274.408 2.064 10 0 CEAEHN O[C@@H](CCc1ccccc1)CN1CCN2CCCC[C@H]2C1 ZINC000248599397 371219244 /nfs/dbraw/zinc/21/92/44/371219244.db2.gz UPVPUUNTPLKWQS-ROUUACIJSA-N 0 3 288.435 2.150 10 0 CEAEHN CSC[C@H](O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000249124805 371298046 /nfs/dbraw/zinc/29/80/46/371298046.db2.gz BBIZKCIDNMAFDR-NWDGAFQWSA-N 0 3 286.466 2.355 10 0 CEAEHN COC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCCCC1 ZINC000249290199 371310369 /nfs/dbraw/zinc/31/03/69/371310369.db2.gz KGOBHHYGSTXTNF-ZIAGYGMSSA-N 0 3 282.428 2.181 10 0 CEAEHN Cc1csc([C@@H]2CCCN(C[C@@H](O)COC(C)C)C2)n1 ZINC000249880931 371368608 /nfs/dbraw/zinc/36/86/08/371368608.db2.gz NKANZOLVYWTESN-ZIAGYGMSSA-N 0 3 298.452 2.417 10 0 CEAEHN CC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1CCCO ZINC000251701476 371413498 /nfs/dbraw/zinc/41/34/98/371413498.db2.gz IZCZFZPZUYNZMT-GJZGRUSLSA-N 0 3 282.428 2.014 10 0 CEAEHN C[C@H](C(=O)NCCC[C@H]1CCC[C@@H]1O)N1[C@H](C)CC[C@@H]1C ZINC000252512502 371451115 /nfs/dbraw/zinc/45/11/15/371451115.db2.gz RLLXSWKHUIZCPA-JKJDWNRSSA-N 0 3 296.455 2.305 10 0 CEAEHN COCCN1CCN(C/C=C\c2ccc(F)cc2)C[C@@H]1C ZINC000255559020 371593276 /nfs/dbraw/zinc/59/32/76/371593276.db2.gz ZOSCPZKEWCKGNM-JZIMQPMSSA-N 0 3 292.398 2.491 10 0 CEAEHN C[C@@H]1C[C@H](O)CCN1CCCOc1ccc(F)cc1 ZINC000639941355 371691531 /nfs/dbraw/zinc/69/15/31/371691531.db2.gz NSULTVWFVCHXCD-TZMCWYRMSA-N 0 3 267.344 2.440 10 0 CEAEHN Cc1c(CN2C[C@H](C)NCc3ccccc32)cnn1C ZINC000334879241 291541784 /nfs/dbraw/zinc/54/17/84/291541784.db2.gz AMWCJDAAAMCUNI-LBPRGKRZSA-N 0 3 270.380 2.227 10 0 CEAEHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1ccc(F)c(F)c1 ZINC000644007408 373336304 /nfs/dbraw/zinc/33/63/04/373336304.db2.gz XKRHDGIXKIDGRD-QPUJVOFHSA-N 0 3 268.307 2.140 10 0 CEAEHN C[C@@H](NC(=O)C(N)C(F)(F)F)c1cc(F)ccc1F ZINC000645391550 374024240 /nfs/dbraw/zinc/02/42/40/374024240.db2.gz WBUOXVUAYNXUKK-ANLVUFKYSA-N 0 3 282.212 2.032 10 0 CEAEHN CC(=O)c1nc(N2C[C@@H](C)[C@H](N(C)C)C2)sc1C ZINC000384128549 321850570 /nfs/dbraw/zinc/85/05/70/321850570.db2.gz KUBRZLHNZMDMSG-LDYMZIIASA-N 0 3 267.398 2.040 10 0 CEAEHN COc1ccc([C@H](C)N[C@H]2CCC(=O)N[C@@H]2C)c(F)c1 ZINC000282391850 375473335 /nfs/dbraw/zinc/47/33/35/375473335.db2.gz RDHYRDPXNRJZSP-RBZYPMLTSA-N 0 3 280.343 2.152 10 0 CEAEHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000282176996 375421600 /nfs/dbraw/zinc/42/16/00/375421600.db2.gz FISPVIMJFAZUJB-OUCADQQQSA-N 0 3 276.380 2.321 10 0 CEAEHN CSc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282299494 375451352 /nfs/dbraw/zinc/45/13/52/375451352.db2.gz JQJDRCPCWQZCOZ-MFKMUULPSA-N 0 3 264.394 2.165 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccccc1Cl ZINC000282471618 375492828 /nfs/dbraw/zinc/49/28/28/375492828.db2.gz UTSDMBXTNCMHAU-JOYOIKCWSA-N 0 3 252.745 2.097 10 0 CEAEHN CCCn1ncc(Br)c1[C@H]1C=CCN1 ZINC000306551222 376550171 /nfs/dbraw/zinc/55/01/71/376550171.db2.gz ZWYSCRHUUQAPRY-SECBINFHSA-N 0 3 256.147 2.256 10 0 CEAEHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12NCCS2 ZINC000306378971 376546434 /nfs/dbraw/zinc/54/64/34/376546434.db2.gz PGJSHVYILIWZPA-GXFFZTMASA-N 0 3 272.414 2.296 10 0 CEAEHN CO[C@H]1C[C@H](CO)N(Cc2ccc(C(C)C)cc2)C1 ZINC000311978048 376698176 /nfs/dbraw/zinc/69/81/76/376698176.db2.gz QFKADILBDKBJQZ-CVEARBPZSA-N 0 3 263.381 2.392 10 0 CEAEHN C[C@@H]1COC[C@@H](C)N1CCN(C)Cc1ccc(F)cc1 ZINC000181714927 542275190 /nfs/dbraw/zinc/27/51/90/542275190.db2.gz PVVFLCYGUNVDMA-ZIAGYGMSSA-N 0 3 280.387 2.367 10 0 CEAEHN Cc1cccc(N2CCN(CC3(O)CCC3)CC2)c1 ZINC000334333984 380273379 /nfs/dbraw/zinc/27/33/79/380273379.db2.gz WCBIHCYMFYDGQT-UHFFFAOYSA-N 0 3 260.381 2.032 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C\c2cccc(O)c2)C1 ZINC000492746805 380674379 /nfs/dbraw/zinc/67/43/79/380674379.db2.gz BUOLFRJGJMQEQZ-QIAWRQBBSA-N 0 3 274.364 2.006 10 0 CEAEHN O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCCN1 ZINC000037044815 184539304 /nfs/dbraw/zinc/53/93/04/184539304.db2.gz BJIIOKXHJOBPJN-OAHLLOKOSA-N 0 3 273.380 2.367 10 0 CEAEHN CCOC(CN[C@H](C)c1ccc(O)cc1)OCC ZINC000093447427 184676150 /nfs/dbraw/zinc/67/61/50/184676150.db2.gz YHUMYJBMXFPYIZ-LLVKDONJSA-N 0 3 253.342 2.442 10 0 CEAEHN CCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000081923252 177896627 /nfs/dbraw/zinc/89/66/27/177896627.db2.gz JTMVFHFEVJEHNY-LSDHHAIUSA-N 0 3 297.420 2.390 10 0 CEAEHN N[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1Cl ZINC000081920596 177894320 /nfs/dbraw/zinc/89/43/20/177894320.db2.gz YWAQVGYCPIHDDY-ZYHUDNBSSA-N 0 3 273.785 2.384 10 0 CEAEHN CCOC(=O)CSC[C@H](N)c1ccccc1OCC ZINC000081795376 177862073 /nfs/dbraw/zinc/86/20/73/177862073.db2.gz CMFNFCUYVPCWKC-LBPRGKRZSA-N 0 3 283.393 2.381 10 0 CEAEHN O[C@@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000503718414 285321561 /nfs/dbraw/zinc/32/15/61/285321561.db2.gz UHQXDVKDSNLODR-DLBZAZTESA-N 0 3 286.350 2.399 10 0 CEAEHN Cc1ccc(O[C@H]2CC[C@@](NC3CC3)(C(N)=O)C2)cc1C ZINC000093845856 184731547 /nfs/dbraw/zinc/73/15/47/184731547.db2.gz YEIPAKBXUFURHG-RDJZCZTQSA-N 0 3 288.391 2.211 10 0 CEAEHN CC(C)CNCc1ccc(OCc2ccno2)cn1 ZINC000094212168 184763843 /nfs/dbraw/zinc/76/38/43/184763843.db2.gz VNOJCIGUNRJXJZ-UHFFFAOYSA-N 0 3 261.325 2.394 10 0 CEAEHN C[C@H](CNCc1cc(F)c([O-])c(F)c1)C[NH+]1CCCC1 ZINC000094265584 184771652 /nfs/dbraw/zinc/77/16/52/184771652.db2.gz ODHHVGZIGNSTSP-LLVKDONJSA-N 0 3 284.350 2.492 10 0 CEAEHN NCc1cc(F)c(OCc2ccncc2)c(F)c1 ZINC000094346102 184786613 /nfs/dbraw/zinc/78/66/13/184786613.db2.gz RCZHOFZZNSVPSD-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN CCCN[C@](C)(CN1CCC(C)(C)C1)C(=O)OCC ZINC000094809684 184870809 /nfs/dbraw/zinc/87/08/09/184870809.db2.gz DUJBJKYDZXAKEG-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN Cc1nnc(COc2ccc(F)cc2[C@H](C)N)o1 ZINC000094619818 184828090 /nfs/dbraw/zinc/82/80/90/184828090.db2.gz HDENHWILUAMILV-ZETCQYMHSA-N 0 3 251.261 2.116 10 0 CEAEHN CCCN[C@@H](c1cc(OC)cc(OC)c1)C(OC)OC ZINC000094651591 184834984 /nfs/dbraw/zinc/83/49/84/184834984.db2.gz ISIVXQKJHVUUST-AWEZNQCLSA-N 0 3 283.368 2.363 10 0 CEAEHN CCN[C@H](c1cc(OC)cc(OC)c1)[C@@H]1CSCCO1 ZINC000094651671 184835211 /nfs/dbraw/zinc/83/52/11/184835211.db2.gz BHPUPQLIPSGQIP-LSDHHAIUSA-N 0 3 297.420 2.486 10 0 CEAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(Cl)c1 ZINC000282218175 195541468 /nfs/dbraw/zinc/54/14/68/195541468.db2.gz DUSASSQDOASMCL-CABZTGNLSA-N 0 3 252.745 2.097 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NCc1ccnc(O[C@H](C)CC)c1 ZINC000262101174 131191124 /nfs/dbraw/zinc/19/11/24/131191124.db2.gz CWNMPCOSYYPZAG-MLGOLLRUSA-N 0 3 293.411 2.393 10 0 CEAEHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000262526117 131229788 /nfs/dbraw/zinc/22/97/88/131229788.db2.gz GMBIYAVHSHWBSY-IDTSFGKNSA-N 0 3 296.386 2.391 10 0 CEAEHN CCC[C@@](C)(N)C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000262718837 131254949 /nfs/dbraw/zinc/25/49/49/131254949.db2.gz XMZPVTBXTQHPNJ-MRXNPFEDSA-N 0 3 291.395 2.004 10 0 CEAEHN CCC[C@](C)(N)C(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000262717045 131255359 /nfs/dbraw/zinc/25/53/59/131255359.db2.gz VZOBATWBZGVOQI-LIRRHRJNSA-N 0 3 282.409 2.021 10 0 CEAEHN C[C@H]1CN(c2cc(Br)ccc2CN)CCO1 ZINC000036670660 134820874 /nfs/dbraw/zinc/82/08/74/134820874.db2.gz LNTBJAOAAUNPTE-VIFPVBQESA-N 0 3 285.185 2.133 10 0 CEAEHN C[C@@H]1CNCCN1c1cc(Br)ccc1F ZINC000083086611 135014090 /nfs/dbraw/zinc/01/40/90/135014090.db2.gz NBYBMFMPUHYMLB-MRVPVSSYSA-N 0 3 273.149 2.386 10 0 CEAEHN CCOc1ccc(OCC)c(N2CCNC[C@H]2C)c1 ZINC000086176929 135039766 /nfs/dbraw/zinc/03/97/66/135039766.db2.gz MEVCNKAUSAXXNA-GFCCVEGCSA-N 0 3 264.369 2.282 10 0 CEAEHN c1cc(-c2cnc(N3CCNCC3)c3[nH]cnc32)cs1 ZINC000089203260 135058252 /nfs/dbraw/zinc/05/82/52/135058252.db2.gz ODKXMMQFWGICBK-UHFFFAOYSA-N 0 3 285.376 2.096 10 0 CEAEHN Cc1ccc2c(c1)CCCN2C[C@@H]1Cc2nc[nH]c2CN1 ZINC000092798518 135077403 /nfs/dbraw/zinc/07/74/03/135077403.db2.gz GJXNJAKFABHGMR-AWEZNQCLSA-N 0 3 282.391 2.185 10 0 CEAEHN Cc1cccc(N2CCN([C@@H]3CC[C@H](O)C3)CC2)c1C ZINC000093798449 135082859 /nfs/dbraw/zinc/08/28/59/135082859.db2.gz FANYMYKBKNANFU-CVEARBPZSA-N 0 3 274.408 2.339 10 0 CEAEHN C[C@@H]1C[C@H]1NCc1cc(Br)ncc1F ZINC000306478816 394515780 /nfs/dbraw/zinc/51/57/80/394515780.db2.gz ZYEHWVFKYBQZEW-HZGVNTEJSA-N 0 3 259.122 2.481 10 0 CEAEHN Cc1ccc(-c2noc(N3CCN4CCC[C@H]4C3)n2)cc1 ZINC000245515954 394500726 /nfs/dbraw/zinc/50/07/26/394500726.db2.gz FGTCZQBWBKYOMK-AWEZNQCLSA-N 0 3 284.363 2.329 10 0 CEAEHN CCC[C@H](N[C@H]1CN(C(C)C)C[C@H]1C)C(=O)OCC ZINC000246230271 394511796 /nfs/dbraw/zinc/51/17/96/394511796.db2.gz MLVGEXWOZRTNAV-RDBSUJKOSA-N 0 3 270.417 2.037 10 0 CEAEHN CC1=CCC[C@H](C)[C@@H]1CN1CCO[C@@H](CN(C)C)C1 ZINC000251743452 394569187 /nfs/dbraw/zinc/56/91/87/394569187.db2.gz QRSGFNURBZLDDG-HRCADAONSA-N 0 3 266.429 2.241 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)NCCc2ccccc2)C1 ZINC000048768908 394528350 /nfs/dbraw/zinc/52/83/50/394528350.db2.gz UCUUJBKSHBHVRM-OAHLLOKOSA-N 0 3 275.396 2.013 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1 ZINC000262592810 394620613 /nfs/dbraw/zinc/62/06/13/394620613.db2.gz VIHNFRRRZXWNLJ-LEWSCRJBSA-N 0 3 282.359 2.145 10 0 CEAEHN CC[C@H](C)N(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000080012638 394633194 /nfs/dbraw/zinc/63/31/94/394633194.db2.gz WOEWRGUGHJXFSN-STQMWFEESA-N 0 3 257.422 2.403 10 0 CEAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCOC(C)C ZINC000122131766 394809734 /nfs/dbraw/zinc/80/97/34/394809734.db2.gz GYVOLYHOLWTYQQ-HUUCEWRRSA-N 0 3 254.418 2.360 10 0 CEAEHN CC[C@H](NC(=O)N(C)C[C@@H]1CCCN1CC)[C@H]1CCCO1 ZINC000132525562 394932982 /nfs/dbraw/zinc/93/29/82/394932982.db2.gz DFDYNISRIADGGJ-SOUVJXGZSA-N 0 3 297.443 2.070 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@H]1CCC=CO1 ZINC000369330512 394997379 /nfs/dbraw/zinc/99/73/79/394997379.db2.gz MBQBVGCJOPCVNC-QLFBSQMISA-N 0 3 250.386 2.238 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1C[C@@H]1CCC=CO1 ZINC000369330509 394997996 /nfs/dbraw/zinc/99/79/96/394997996.db2.gz MBQBVGCJOPCVNC-ILXRZTDVSA-N 0 3 250.386 2.238 10 0 CEAEHN Cc1ccc(-c2cc(C(=O)N3CC[C@H](N(C)C)C3)on2)cc1 ZINC000170866505 395093067 /nfs/dbraw/zinc/09/30/67/395093067.db2.gz NNWNPLISJPHWKC-AWEZNQCLSA-N 0 3 299.374 2.426 10 0 CEAEHN COC(=O)[C@@H](c1ccccc1)N1CCN2CCCC[C@@H]2C1 ZINC000177760141 395156092 /nfs/dbraw/zinc/15/60/92/395156092.db2.gz OJYOTTQGVMLBQD-HZPDHXFCSA-N 0 3 288.391 2.071 10 0 CEAEHN CC[C@H](C)[C@@H](CN1CCN2CCCC[C@@H]2C1)OC ZINC000381331869 395173614 /nfs/dbraw/zinc/17/36/14/395173614.db2.gz ZETXYQCPPCNROJ-RRFJBIMHSA-N 0 3 254.418 2.218 10 0 CEAEHN CCC[C@H](C(=O)N1CCc2ccc(OC)cc2C1)N(C)C ZINC000179612113 395197310 /nfs/dbraw/zinc/19/73/10/395197310.db2.gz BHZAFJXYUDFXCB-MRXNPFEDSA-N 0 3 290.407 2.310 10 0 CEAEHN CCOC(=O)[C@H](CC(C)C)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000181015935 395207896 /nfs/dbraw/zinc/20/78/96/395207896.db2.gz RUMJIFABNKOOTC-KKUMJFAQSA-N 0 3 284.444 2.283 10 0 CEAEHN CCOCCCNC(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000192588108 395387798 /nfs/dbraw/zinc/38/77/98/395387798.db2.gz AMPQHLOZDJAMLU-NEPJUHHUSA-N 0 3 284.425 2.330 10 0 CEAEHN Cc1nc2ccccc2cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195324137 395464318 /nfs/dbraw/zinc/46/43/18/395464318.db2.gz DVVDJKKTSOOJFD-OAHLLOKOSA-N 0 3 295.386 2.463 10 0 CEAEHN CN[C@H](C)C(=O)NCc1cccc(Cl)c1Cl ZINC000568235383 395552571 /nfs/dbraw/zinc/55/25/71/395552571.db2.gz NIXPEOOTQWSNLN-SSDOTTSWSA-N 0 3 261.152 2.218 10 0 CEAEHN CCN1CCO[C@@H](CNCc2cc(C)cc(Cl)c2)C1 ZINC000395142390 400555168 /nfs/dbraw/zinc/55/51/68/400555168.db2.gz IDKROQZSWJFQDZ-HNNXBMFYSA-N 0 3 282.815 2.459 10 0 CEAEHN COc1cc(OC)c2c(c1OC)CNCC2(C)C ZINC000057538635 286240418 /nfs/dbraw/zinc/24/04/18/286240418.db2.gz WFCBEMVZYKIHJD-UHFFFAOYSA-N 0 3 251.326 2.093 10 0 CEAEHN CCn1nccc1CN1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000190286608 153123229 /nfs/dbraw/zinc/12/32/29/153123229.db2.gz LHSORUMIWSUCKG-HIFRSBDPSA-N 0 3 291.420 2.172 10 0 CEAEHN Cc1ccc(CCC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000195323633 153284507 /nfs/dbraw/zinc/28/45/07/153284507.db2.gz NLNPPRPHACLTSE-INIZCTEOSA-N 0 3 272.392 2.234 10 0 CEAEHN COCCNCCNc1ncc(C(F)(F)F)cc1Cl ZINC000216315796 153299137 /nfs/dbraw/zinc/29/91/37/153299137.db2.gz AAIWYWDBFGHTFD-UHFFFAOYSA-N 0 3 297.708 2.402 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCCN2CCSCC2)c1C ZINC000223476345 153315599 /nfs/dbraw/zinc/31/55/99/153315599.db2.gz JVVVNNXWOYKKKE-GFCCVEGCSA-N 0 3 296.484 2.219 10 0 CEAEHN CCc1cnc(CN2C[C@@H]3CCCN3C[C@@H]2C)s1 ZINC000230374933 153396543 /nfs/dbraw/zinc/39/65/43/153396543.db2.gz PHMOEMHLSKNMJA-RYUDHWBXSA-N 0 3 265.426 2.374 10 0 CEAEHN CN1CCNC[C@@H]1c1noc(CCC2CCCCC2)n1 ZINC000263196378 154032008 /nfs/dbraw/zinc/03/20/08/154032008.db2.gz IKXAEQNGYMFPDR-CYBMUJFWSA-N 0 3 278.400 2.159 10 0 CEAEHN C[C@H]1CC[C@H](NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511847 154109635 /nfs/dbraw/zinc/10/96/35/154109635.db2.gz NOZFGMGSTSRCEV-UJHNXHIOSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H]1CC[C@H](NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511847 154109640 /nfs/dbraw/zinc/10/96/40/154109640.db2.gz NOZFGMGSTSRCEV-UJHNXHIOSA-N 0 3 280.412 2.092 10 0 CEAEHN C[C@H]1CC[C@H]([NH2+]C2CC(N(CC(=O)[O-])CC3CC3)C2)C1 ZINC000263511847 154109644 /nfs/dbraw/zinc/10/96/44/154109644.db2.gz NOZFGMGSTSRCEV-UJHNXHIOSA-N 0 3 280.412 2.092 10 0 CEAEHN O=C([O-])C[N@H+](CC1CC1)C1CC(NC2CC3(CCC3)C2)C1 ZINC000263532493 154118785 /nfs/dbraw/zinc/11/87/85/154118785.db2.gz XHTKPOHRQISKGJ-UHFFFAOYSA-N 0 3 292.423 2.236 10 0 CEAEHN O=C([O-])C[N@@H+](CC1CC1)C1CC(NC2CC3(CCC3)C2)C1 ZINC000263532493 154118788 /nfs/dbraw/zinc/11/87/88/154118788.db2.gz XHTKPOHRQISKGJ-UHFFFAOYSA-N 0 3 292.423 2.236 10 0 CEAEHN COc1cc(C)nc(CN2CCC[C@@H]2CCCO)c1 ZINC000168888822 162369771 /nfs/dbraw/zinc/36/97/71/162369771.db2.gz YZDNYYLVLHNAND-CQSZACIVSA-N 0 3 264.369 2.136 10 0 CEAEHN CC(C)C[C@@H](C)CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171299684 162382284 /nfs/dbraw/zinc/38/22/84/162382284.db2.gz PBNWHYIOQPXSEW-ZIAGYGMSSA-N 0 3 252.402 2.365 10 0 CEAEHN CN(C)C[C@@H]1CN(C(=O)C2CCCCCCC2)CCO1 ZINC000172932050 165065105 /nfs/dbraw/zinc/06/51/05/165065105.db2.gz ZDEGXYKVFWZMRX-OAHLLOKOSA-N 0 3 282.428 2.136 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000175344958 165135216 /nfs/dbraw/zinc/13/52/16/165135216.db2.gz QEDKHMLKNAQYPI-OWCLPIDISA-N 0 3 295.471 2.192 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)COc1ccc(C)cc1 ZINC000176975170 165181360 /nfs/dbraw/zinc/18/13/60/165181360.db2.gz PSBSECXPNPVYAW-OAHLLOKOSA-N 0 3 290.407 2.317 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)CCCSC ZINC000177023609 165186977 /nfs/dbraw/zinc/18/69/77/165186977.db2.gz KWROTUCSRVDKNE-LBPRGKRZSA-N 0 3 258.431 2.072 10 0 CEAEHN CC(C)CCOC1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000178033272 165218629 /nfs/dbraw/zinc/21/86/29/165218629.db2.gz LGDNXCLURISBNB-AWEZNQCLSA-N 0 3 270.417 2.023 10 0 CEAEHN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C1CCC1 ZINC000178492361 165243388 /nfs/dbraw/zinc/24/33/88/165243388.db2.gz JNZYQKRLHZQEPV-JQWIXIFHSA-N 0 3 264.373 2.038 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1C ZINC000180348540 165304749 /nfs/dbraw/zinc/30/47/49/165304749.db2.gz CRUBAWIEICPHIV-CQSZACIVSA-N 0 3 292.427 2.329 10 0 CEAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccoc1)CC2 ZINC000180623875 165316844 /nfs/dbraw/zinc/31/68/44/165316844.db2.gz YWMZHWZMDWPVPS-PWSUYJOCSA-N 0 3 260.341 2.099 10 0 CEAEHN CN(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000004819364 170022898 /nfs/dbraw/zinc/02/28/98/170022898.db2.gz PIGDJLGVMWCDEX-CYBMUJFWSA-N 0 3 251.370 2.285 10 0 CEAEHN C[C@@H](NCc1cnc(C(C)(C)C)nc1)[C@H]1CCCO1 ZINC000284299059 196024405 /nfs/dbraw/zinc/02/44/05/196024405.db2.gz IQCOQXOFSAXZDS-DGCLKSJQSA-N 0 3 263.385 2.431 10 0 CEAEHN COc1cccc(CN(C)[C@@H](CN)c2ccco2)c1 ZINC000020225260 171087748 /nfs/dbraw/zinc/08/77/48/171087748.db2.gz JOECKFCGMFNHRD-AWEZNQCLSA-N 0 3 260.337 2.420 10 0 CEAEHN CCCCNC(=O)[C@H](C)NCCc1ccc(OC)cc1 ZINC000020364315 171162861 /nfs/dbraw/zinc/16/28/61/171162861.db2.gz NHIDULWZZVJFSW-ZDUSSCGKSA-N 0 3 278.396 2.132 10 0 CEAEHN Cn1cc([C@H](N)c2ccc(C(F)(F)F)cc2)cn1 ZINC000020476763 171221000 /nfs/dbraw/zinc/22/10/00/171221000.db2.gz OECSJZKZQVNBEK-LLVKDONJSA-N 0 3 255.243 2.487 10 0 CEAEHN Cn1cc([C@@H](N)c2cccc(C(F)(F)F)c2)cn1 ZINC000020476889 171221279 /nfs/dbraw/zinc/22/12/79/171221279.db2.gz UGKZCHOSBZBWGM-NSHDSACASA-N 0 3 255.243 2.487 10 0 CEAEHN C[C@H]1CCC[C@@H](C(=O)Nc2c(F)cccc2F)N1 ZINC000020476459 171221286 /nfs/dbraw/zinc/22/12/86/171221286.db2.gz DMIUAXBLJKIJDK-KWQFWETISA-N 0 3 254.280 2.434 10 0 CEAEHN C[C@H](N)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000020549166 171246070 /nfs/dbraw/zinc/24/60/70/171246070.db2.gz JZAOGXGMHBNGCM-LBPRGKRZSA-N 0 3 282.409 2.271 10 0 CEAEHN COC(=O)C[C@@H](N)c1ccccc1Br ZINC000020577463 171256406 /nfs/dbraw/zinc/25/64/06/171256406.db2.gz IJWZWRXYCPBAGA-SECBINFHSA-N 0 3 258.115 2.012 10 0 CEAEHN C[C@@H](C(=O)Nc1cccc(N)c1)N1CCCCCC1 ZINC000022154299 171361372 /nfs/dbraw/zinc/36/13/72/171361372.db2.gz KZPZNXXUCNCUPL-LBPRGKRZSA-N 0 3 261.369 2.472 10 0 CEAEHN COC(=O)CCCN(Cc1ccccc1N)C1CC1 ZINC000035366496 172158538 /nfs/dbraw/zinc/15/85/38/172158538.db2.gz QLOSYSPKFSFYEH-UHFFFAOYSA-N 0 3 262.353 2.186 10 0 CEAEHN CCCOc1ccc(CNC)c(OCCOC)c1 ZINC000035414076 172187437 /nfs/dbraw/zinc/18/74/37/172187437.db2.gz LXMBKBYTSRCELI-UHFFFAOYSA-N 0 3 253.342 2.220 10 0 CEAEHN CNC(=O)[C@@H](C)Oc1c2ccccc2ccc1[C@@H](C)N ZINC000035427243 172194523 /nfs/dbraw/zinc/19/45/23/172194523.db2.gz CLZBXRZYHMPSRL-GHMZBOCLSA-N 0 3 272.348 2.373 10 0 CEAEHN CCNCc1c(N(CC)C2CC2)nc2sccn12 ZINC000035430070 172198122 /nfs/dbraw/zinc/19/81/22/172198122.db2.gz UXTVAOSCLBTMOT-UHFFFAOYSA-N 0 3 264.398 2.494 10 0 CEAEHN CNCc1c(Oc2cccnc2)nc2ccccn21 ZINC000035450431 172204707 /nfs/dbraw/zinc/20/47/07/172204707.db2.gz DMHPOJNDSBDODR-UHFFFAOYSA-N 0 3 254.293 2.241 10 0 CEAEHN CC(C)N[C@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760621 172398634 /nfs/dbraw/zinc/39/86/34/172398634.db2.gz FBZLFVQKXUOOKK-PWSUYJOCSA-N 0 3 253.367 2.292 10 0 CEAEHN CN[C@@H]1c2cccc(Cl)c2S(=O)(=O)C[C@H]1C ZINC000035761275 172399161 /nfs/dbraw/zinc/39/91/61/172399161.db2.gz WVNXRWIUNKBVDK-XCBNKYQSSA-N 0 3 259.758 2.024 10 0 CEAEHN COC(=O)CCNCc1ccc(OC(C)C)cc1 ZINC000037252029 173063806 /nfs/dbraw/zinc/06/38/06/173063806.db2.gz RRVVMFVYFIWZHS-UHFFFAOYSA-N 0 3 251.326 2.127 10 0 CEAEHN C[C@@H](CO)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000037258736 173069235 /nfs/dbraw/zinc/06/92/35/173069235.db2.gz NFLRNKHZPHHOET-GZMMTYOYSA-N 0 3 286.169 2.243 10 0 CEAEHN C[C@H](N[C@@H]1CCS(=O)(=O)c2ccccc21)C1CC1 ZINC000037259306 173069496 /nfs/dbraw/zinc/06/94/96/173069496.db2.gz RCJKLZDUYUEINR-GXFFZTMASA-N 0 3 265.378 2.293 10 0 CEAEHN C[C@@H]1CCCCN1[C@@H](CN)c1ccc2c(c1)OCO2 ZINC000037325589 173126333 /nfs/dbraw/zinc/12/63/33/173126333.db2.gz HSUDDVJAFWAZEB-YPMHNXCESA-N 0 3 262.353 2.290 10 0 CEAEHN CO[C@@H]1CN[C@@H](c2nc3c(cccc3Cl)[nH]2)C1 ZINC000037443845 173212478 /nfs/dbraw/zinc/21/24/78/173212478.db2.gz CCQIBJVIMAXOIU-OIBJUYFYSA-N 0 3 251.717 2.266 10 0 CEAEHN Cc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)c([O-])c1 ZINC000038033060 174029562 /nfs/dbraw/zinc/02/95/62/174029562.db2.gz ZAIWLBYKKRGPIX-UHFFFAOYSA-N 0 3 284.359 2.302 10 0 CEAEHN Cc1ccc([C@@H](C)NC[C@H](O)COC(C)(C)C)o1 ZINC000038097789 174112045 /nfs/dbraw/zinc/11/20/45/174112045.db2.gz GXXUMGCJZHPCHY-NEPJUHHUSA-N 0 3 255.358 2.415 10 0 CEAEHN CC[C@H](N)c1cccc(S(=O)(=O)NCC(C)(C)C)c1 ZINC000040495036 174293641 /nfs/dbraw/zinc/29/36/41/174293641.db2.gz YYFVDZZVJLJLHH-ZDUSSCGKSA-N 0 3 284.425 2.421 10 0 CEAEHN CCN1CCC[C@@H](NCc2cc(OC)ccc2OC)C1 ZINC000040502368 174298741 /nfs/dbraw/zinc/29/87/41/174298741.db2.gz ARAOJCWBVGFWND-CQSZACIVSA-N 0 3 278.396 2.278 10 0 CEAEHN Cc1nnc(Sc2nc(C)cc(C)c2CN)s1 ZINC000040509900 174304332 /nfs/dbraw/zinc/30/43/32/174304332.db2.gz YHWVQIJIGQEBNY-UHFFFAOYSA-N 0 3 266.395 2.468 10 0 CEAEHN COC(=O)C[C@H](C)NCc1cc2c(s1)CCC2 ZINC000040627037 174356944 /nfs/dbraw/zinc/35/69/44/174356944.db2.gz CBNVMUQKBKXTKE-VIFPVBQESA-N 0 3 253.367 2.278 10 0 CEAEHN CCSc1ccccc1NC(=O)[C@H]1C[C@H](OC)CN1 ZINC000040634322 174360294 /nfs/dbraw/zinc/36/02/94/174360294.db2.gz YARVEEGCFRRLEJ-CMPLNLGQSA-N 0 3 280.393 2.114 10 0 CEAEHN CCn1c(CNCCc2nccn2C)nc2ccccc21 ZINC000040639431 174363865 /nfs/dbraw/zinc/36/38/65/174363865.db2.gz PABWGFPTESUAJM-UHFFFAOYSA-N 0 3 283.379 2.122 10 0 CEAEHN O[C@@H]1CCCCC[C@@H]1NCc1cccc2c1OCO2 ZINC000040667319 174367174 /nfs/dbraw/zinc/36/71/74/174367174.db2.gz IVUQCJBQYPAERD-QWHCGFSZSA-N 0 3 263.337 2.199 10 0 CEAEHN CC(C)(N[C@@H]1CCc2cc(Br)ccc21)C(N)=O ZINC000040674771 174373498 /nfs/dbraw/zinc/37/34/98/174373498.db2.gz QYZKKVUHJOYNJX-LLVKDONJSA-N 0 3 297.196 2.290 10 0 CEAEHN CC(C)(C)Nc1ncnc(NCCN2CCCCC2)c1N ZINC000040680525 174374653 /nfs/dbraw/zinc/37/46/53/174374653.db2.gz RPTVKXIGFALYDJ-UHFFFAOYSA-N 0 3 292.431 2.167 10 0 CEAEHN CCOC1CCN(C[C@@H](N)c2ccc(C)cc2)CC1 ZINC000040689293 174376442 /nfs/dbraw/zinc/37/64/42/174376442.db2.gz UZWNEIOSYFNDIN-MRXNPFEDSA-N 0 3 262.397 2.496 10 0 CEAEHN CC(C)C[C@@H](CO)NCC(=O)Nc1ccc(Cl)cc1 ZINC000040778454 174403950 /nfs/dbraw/zinc/40/39/50/174403950.db2.gz HDAVUGJEXDRVGH-ZDUSSCGKSA-N 0 3 284.787 2.275 10 0 CEAEHN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](N)C(C)C ZINC000040851646 174420511 /nfs/dbraw/zinc/42/05/11/174420511.db2.gz NMEOITZOCRBCGZ-LLVKDONJSA-N 0 3 298.408 2.463 10 0 CEAEHN C(CN1CC[C@H]2OCCN[C@@H]2C1)C1CCCCC1 ZINC000403995599 414772117 /nfs/dbraw/zinc/77/21/17/414772117.db2.gz KXKKQJNVXBGBRK-HUUCEWRRSA-N 0 3 252.402 2.020 10 0 CEAEHN CCCCOC[C@H](O)CN1CCC[C@@H](OC(C)C)C1 ZINC000404519640 414786441 /nfs/dbraw/zinc/78/64/41/414786441.db2.gz HQXAYMRJCPRSQH-HUUCEWRRSA-N 0 3 273.417 2.053 10 0 CEAEHN CCC[C@@H](N)C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000404884582 414790667 /nfs/dbraw/zinc/79/06/67/414790667.db2.gz DJMXVZSMUWGOSV-SWLSCSKDSA-N 0 3 260.381 2.302 10 0 CEAEHN Cc1ccc(F)c(C(=O)N(C)[C@@H](CN)C(F)(F)F)c1 ZINC000662978829 414817172 /nfs/dbraw/zinc/81/71/72/414817172.db2.gz IAKLQUUMPZXJEP-JTQLQIEISA-N 0 3 278.249 2.096 10 0 CEAEHN CN(C(=O)C1CCC(F)(F)CC1)[C@H](CN)C(F)(F)F ZINC000662987696 414818550 /nfs/dbraw/zinc/81/85/50/414818550.db2.gz WTESNESJLBPNAF-MRVPVSSYSA-N 0 3 288.260 2.160 10 0 CEAEHN CC(C)(C)[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000660441579 414823328 /nfs/dbraw/zinc/82/33/28/414823328.db2.gz GHIYRESFATWVLT-MCIONIFRSA-N 0 3 255.402 2.284 10 0 CEAEHN CC1(C)COCCN1[C@@H](CN)c1ccccc1Cl ZINC000042461356 174751837 /nfs/dbraw/zinc/75/18/37/174751837.db2.gz VBFRVFFEVXCUIC-ZDUSSCGKSA-N 0 3 268.788 2.451 10 0 CEAEHN OCC1CC(NCc2sccc2Br)C1 ZINC000657811411 415089481 /nfs/dbraw/zinc/08/94/81/415089481.db2.gz WRUMOJQSYYVQDH-UHFFFAOYSA-N 0 3 276.199 2.371 10 0 CEAEHN CC[C@H](N)[C@@H](c1sccc1C)N(CC(N)=O)CC(C)C ZINC000043249004 174993870 /nfs/dbraw/zinc/99/38/70/174993870.db2.gz NYVQUHOYWZKJOA-JSGCOSHPSA-N 0 3 297.468 2.278 10 0 CEAEHN N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043299969 175001128 /nfs/dbraw/zinc/00/11/28/175001128.db2.gz FNYSQJWVAPTLDK-RDDDGLTNSA-N 0 3 294.203 2.428 10 0 CEAEHN CCN[C@H](c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300822 175001415 /nfs/dbraw/zinc/00/14/15/175001415.db2.gz WABGGBONWWRVRT-ZWNOBZJWSA-N 0 3 289.347 2.050 10 0 CEAEHN CCN[C@@H](c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300937 175001462 /nfs/dbraw/zinc/00/14/62/175001462.db2.gz MLZSKVYVRFRBDQ-KGLIPLIRSA-N 0 3 267.394 2.080 10 0 CEAEHN CCN[C@H](c1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301075 175002125 /nfs/dbraw/zinc/00/21/25/175002125.db2.gz QHHPFBBJUASOCA-UKRRQHHQSA-N 0 3 297.420 2.171 10 0 CEAEHN Cc1cccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000043314404 175003871 /nfs/dbraw/zinc/00/38/71/175003871.db2.gz XDMUZBFGNVINLC-ZENOOKHLSA-N 0 3 262.397 2.412 10 0 CEAEHN CCCN(C(=O)c1cc(OC)ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC000043327787 175009755 /nfs/dbraw/zinc/00/97/55/175009755.db2.gz WPZCUBGRZUKPQL-LBPRGKRZSA-N 0 3 292.379 2.005 10 0 CEAEHN CCOC1CCN([C@@H](c2ccco2)[C@@H](C)N)CC1 ZINC000043335485 175011308 /nfs/dbraw/zinc/01/13/08/175011308.db2.gz DOOSJNDQYWAEFC-BXUZGUMPSA-N 0 3 252.358 2.169 10 0 CEAEHN CCN(CC(F)(F)F)[C@@H](c1ccccn1)[C@@H](C)N ZINC000043341128 175015364 /nfs/dbraw/zinc/01/53/64/175015364.db2.gz AJDDYBSQHYBIMU-MWLCHTKSSA-N 0 3 261.291 2.354 10 0 CEAEHN Cc1ccc([C@H]([C@H](C)N)N2CCOC(C)(C)C2)o1 ZINC000043364453 175025365 /nfs/dbraw/zinc/02/53/65/175025365.db2.gz NDMHGJIUTUKQNT-AAEUAGOBSA-N 0 3 252.358 2.087 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N(C)CC(=O)N(CC)CC ZINC000043364922 175025622 /nfs/dbraw/zinc/02/56/22/175025622.db2.gz BRECNJVNDSREBQ-BBRMVZONSA-N 0 3 295.427 2.167 10 0 CEAEHN Cc1cc(C)cc([C@H](CN)N(C)Cc2cnn(C)c2)c1 ZINC000043394390 175035172 /nfs/dbraw/zinc/03/51/72/175035172.db2.gz XVYRIHKZRLSWAF-INIZCTEOSA-N 0 3 272.396 2.169 10 0 CEAEHN CN[C@@H](CN1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000043811711 175110745 /nfs/dbraw/zinc/11/07/45/175110745.db2.gz LOXTXKFFJHTNRW-OCCSQVGLSA-N 0 3 276.380 2.408 10 0 CEAEHN CN[C@@H](CN(C)C(C)C)c1ccc2c(c1)OCO2 ZINC000043813110 175110985 /nfs/dbraw/zinc/11/09/85/175110985.db2.gz PZGYRTZMWFZXHT-LBPRGKRZSA-N 0 3 250.342 2.016 10 0 CEAEHN CCN[C@H]1c2ccccc2OC[C@H]1N1CCO[C@@H](CC)C1 ZINC000043893141 175118603 /nfs/dbraw/zinc/11/86/03/175118603.db2.gz HONNHSJXXDDNBA-LXZKKBNFSA-N 0 3 290.407 2.209 10 0 CEAEHN CCN[C@@H](CN(C)CCOC)c1cc(C)ccc1OC ZINC000043916000 175125177 /nfs/dbraw/zinc/12/51/77/175125177.db2.gz PVXKQAOGEFTYFW-HNNXBMFYSA-N 0 3 280.412 2.232 10 0 CEAEHN CCN[C@H](CN(CCOC)C1CC1)c1ccccc1OC ZINC000043969910 175131236 /nfs/dbraw/zinc/13/12/36/175131236.db2.gz XXYPHTBLZRTBCL-MRXNPFEDSA-N 0 3 292.423 2.457 10 0 CEAEHN C[C@@H]1CCCCN1C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044795525 175254706 /nfs/dbraw/zinc/25/47/06/175254706.db2.gz XYVAJQOWGDHGKK-UKRRQHHQSA-N 0 3 260.381 2.205 10 0 CEAEHN O=S(=O)(C[C@@H]1CCC[NH2+]1)[N-]c1ccc2ccccc2c1 ZINC000044881433 175269870 /nfs/dbraw/zinc/26/98/70/175269870.db2.gz MZEUZGHLNQPVTL-HNNXBMFYSA-N 0 3 290.388 2.334 10 0 CEAEHN CCCOc1ccc([C@@H](C)NCCC(=O)NC)cc1 ZINC000044988075 175284960 /nfs/dbraw/zinc/28/49/60/175284960.db2.gz LABWYVYMZINADG-GFCCVEGCSA-N 0 3 264.369 2.262 10 0 CEAEHN C[C@H](CN[C@H](C)C(=O)Nc1ccccc1)N1CCCCC1 ZINC000044993152 175286601 /nfs/dbraw/zinc/28/66/01/175286601.db2.gz AFXDIRKZPNJINU-HUUCEWRRSA-N 0 3 289.423 2.478 10 0 CEAEHN CC[C@H](C)NC(=O)CCNC1=N[C@H](CC(C)C)CS1 ZINC000045005986 175288334 /nfs/dbraw/zinc/28/83/34/175288334.db2.gz WLJMUHOWOUUMCK-NWDGAFQWSA-N 0 3 285.457 2.398 10 0 CEAEHN CCCC1N=NC(=S)N1C[C@@H](C)N1CCCCC1 ZINC000045005110 175288376 /nfs/dbraw/zinc/28/83/76/175288376.db2.gz RUWNIHUAWYJUOA-LLVKDONJSA-N 0 3 268.430 2.394 10 0 CEAEHN CCCNC(=O)CCN[C@H]1CSCc2ccccc21 ZINC000045072932 175302359 /nfs/dbraw/zinc/30/23/59/175302359.db2.gz UZAGANLGCRZSTR-AWEZNQCLSA-N 0 3 278.421 2.480 10 0 CEAEHN C[C@@](N)(C(=O)N1CCC[C@H]1C1CCCC1)C1CC1 ZINC000045088362 175304353 /nfs/dbraw/zinc/30/43/53/175304353.db2.gz MPSZODUUSMUHIR-ZFWWWQNUSA-N 0 3 250.386 2.295 10 0 CEAEHN Cn1ccnc1CCNCc1cccc(F)c1F ZINC000045134441 175312373 /nfs/dbraw/zinc/31/23/73/175312373.db2.gz YMBXXNSXPUCRRO-UHFFFAOYSA-N 0 3 251.280 2.031 10 0 CEAEHN CC[C@@H](C)[C@@H](N)c1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169388 175320202 /nfs/dbraw/zinc/32/02/02/175320202.db2.gz HSTYENFOOLZFKW-AMIZOPFISA-N 0 3 261.373 2.473 10 0 CEAEHN CCCCN(C)C[C@](C)(NC(C)C)C(=O)OCC ZINC000045222089 175330838 /nfs/dbraw/zinc/33/08/38/175330838.db2.gz OXNOQCLOCKTOPS-AWEZNQCLSA-N 0 3 258.406 2.038 10 0 CEAEHN CCCN[C@](C)(CCN1CCC(C)CC1)C(=O)OC ZINC000045225560 175332909 /nfs/dbraw/zinc/33/29/09/175332909.db2.gz GAKXJQAKGGHXGU-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@@](C)(CN(C)C[C@@H](C)CC)C(=O)OCC ZINC000045268385 175340822 /nfs/dbraw/zinc/34/08/22/175340822.db2.gz ZOHONHHLMGMIRC-ZFWWWQNUSA-N 0 3 272.433 2.286 10 0 CEAEHN CCC(CC)[N@H+](C)CC[C@](C)(NC(C)C)C(=O)[O-] ZINC000045269693 175341309 /nfs/dbraw/zinc/34/13/09/175341309.db2.gz ATCXMXBRQSYLIX-AWEZNQCLSA-N 0 3 258.406 2.338 10 0 CEAEHN CCC(CC)[N@@H+](C)CC[C@](C)(NC(C)C)C(=O)[O-] ZINC000045269693 175341310 /nfs/dbraw/zinc/34/13/10/175341310.db2.gz ATCXMXBRQSYLIX-AWEZNQCLSA-N 0 3 258.406 2.338 10 0 CEAEHN CCC(CC)N(C)CC[C@](C)([NH2+]C(C)C)C(=O)[O-] ZINC000045269693 175341311 /nfs/dbraw/zinc/34/13/11/175341311.db2.gz ATCXMXBRQSYLIX-AWEZNQCLSA-N 0 3 258.406 2.338 10 0 CEAEHN CC[NH2+][C@](C)(CCN(C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274772 175344785 /nfs/dbraw/zinc/34/47/85/175344785.db2.gz UGXGESJSFYZFDH-SMDDNHRTSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274772 175344786 /nfs/dbraw/zinc/34/47/86/175344786.db2.gz UGXGESJSFYZFDH-SMDDNHRTSA-N 0 3 258.406 2.196 10 0 CEAEHN CCN[C@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274772 175344787 /nfs/dbraw/zinc/34/47/87/175344787.db2.gz UGXGESJSFYZFDH-SMDDNHRTSA-N 0 3 258.406 2.196 10 0 CEAEHN CCC[N@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])CC1CC1 ZINC000045276877 175346729 /nfs/dbraw/zinc/34/67/29/175346729.db2.gz CEVWSZHPQVCSER-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CCC[N@@H+](CC[C@@](C)(NC(C)C)C(=O)[O-])CC1CC1 ZINC000045276877 175346730 /nfs/dbraw/zinc/34/67/30/175346730.db2.gz CEVWSZHPQVCSER-OAHLLOKOSA-N 0 3 270.417 2.340 10 0 CEAEHN CCCN[C@](C)(CN(CC(C)C)C1CC1)C(=O)OCC ZINC000045277501 175347574 /nfs/dbraw/zinc/34/75/74/175347574.db2.gz SBPXEVGBVITNAT-MRXNPFEDSA-N 0 3 284.444 2.428 10 0 CEAEHN CN[C@](CN(C)CC(C)(C)C)(C(=O)OC)c1ccccc1 ZINC000045279306 175349330 /nfs/dbraw/zinc/34/93/30/175349330.db2.gz RPAXHHIFOOZJJV-KRWDZBQOSA-N 0 3 292.423 2.252 10 0 CEAEHN CCOC(=O)[C@](N)(CN(C)CCC(C)C)c1ccccc1 ZINC000045281180 175352207 /nfs/dbraw/zinc/35/22/07/175352207.db2.gz ZROHRANUWBFSOR-KRWDZBQOSA-N 0 3 292.423 2.382 10 0 CEAEHN C[C@H](NC[C@@H]1CC(=O)N(C)C1)c1cccc(F)c1F ZINC000658241646 415274351 /nfs/dbraw/zinc/27/43/51/415274351.db2.gz YNOGDCAQHLEBMY-UWVGGRQHSA-N 0 3 268.307 2.094 10 0 CEAEHN COc1ccccc1C[C@@H](N)c1cc(C)cnc1N ZINC000070404704 175912319 /nfs/dbraw/zinc/91/23/19/175912319.db2.gz JTRNSXZDQKIFPM-CYBMUJFWSA-N 0 3 257.337 2.223 10 0 CEAEHN C[C@H]1CCCCCN1S(=O)(=O)Cc1ccccc1CN ZINC000070409208 175913980 /nfs/dbraw/zinc/91/39/80/175913980.db2.gz PRAJMTOMRCHTLL-ZDUSSCGKSA-N 0 3 296.436 2.240 10 0 CEAEHN NCc1ccnn1Cc1cc(Br)cs1 ZINC000070708254 176002467 /nfs/dbraw/zinc/00/24/67/176002467.db2.gz PPLDFHVSALBLQU-UHFFFAOYSA-N 0 3 272.171 2.214 10 0 CEAEHN CNCc1cnn(Cc2ccc(Br)s2)c1 ZINC000070708685 176002560 /nfs/dbraw/zinc/00/25/60/176002560.db2.gz FVMAVNBREUTZIF-UHFFFAOYSA-N 0 3 286.198 2.475 10 0 CEAEHN CC(C)N1C(=O)CC[C@@H](N)[C@@H]1c1cccc(F)c1F ZINC000070987015 176018636 /nfs/dbraw/zinc/01/86/36/176018636.db2.gz FFKABRZRJDQVRK-RISCZKNCSA-N 0 3 268.307 2.364 10 0 CEAEHN C[C@@H](c1ccccc1)N1CCC[C@@H](NC2CC2)C1=O ZINC000071032701 176023373 /nfs/dbraw/zinc/02/33/73/176023373.db2.gz HZSJSORIBVDVBE-SWLSCSKDSA-N 0 3 258.365 2.491 10 0 CEAEHN CCCN[C@H]1CCN(c2nc(CC)c(C)s2)C1=O ZINC000071032265 176023548 /nfs/dbraw/zinc/02/35/48/176023548.db2.gz BROLJXNYDBLIQW-NSHDSACASA-N 0 3 267.398 2.119 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1c1cc(F)c(F)cc1F ZINC000071042662 176028720 /nfs/dbraw/zinc/02/87/20/176028720.db2.gz UMHSGXAAQAUFGJ-GFCCVEGCSA-N 0 3 284.281 2.351 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1c1cc(F)c(F)c(F)c1 ZINC000071042893 176028964 /nfs/dbraw/zinc/02/89/64/176028964.db2.gz GJOVOHTYHXHVEB-LBPRGKRZSA-N 0 3 284.281 2.351 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1c1cc(F)cc(F)c1F ZINC000071042866 176029077 /nfs/dbraw/zinc/02/90/77/176029077.db2.gz JXORHARVXKZBPQ-NSHDSACASA-N 0 3 284.281 2.351 10 0 CEAEHN CCNCCS(=O)(=O)Nc1ccccc1C(C)(C)C ZINC000071174659 176054204 /nfs/dbraw/zinc/05/42/04/176054204.db2.gz DGBJHQVCSDQMCW-UHFFFAOYSA-N 0 3 284.425 2.335 10 0 CEAEHN CC(C)Oc1cncc(Nc2ccccc2CN)n1 ZINC000071177419 176055158 /nfs/dbraw/zinc/05/51/58/176055158.db2.gz CPYFJBWVIUOFFZ-UHFFFAOYSA-N 0 3 258.325 2.466 10 0 CEAEHN Cc1c(Cl)nnc(NCCN2CCCC2)c1C ZINC000071187101 176060843 /nfs/dbraw/zinc/06/08/43/176060843.db2.gz RXCNFXUGYRQMLY-UHFFFAOYSA-N 0 3 254.765 2.255 10 0 CEAEHN NC(=S)c1cc(F)ccc1CN1CCC[C@H]1CCCO ZINC000071266239 176099755 /nfs/dbraw/zinc/09/97/55/176099755.db2.gz ROJRQUXTZHDNDH-ZDUSSCGKSA-N 0 3 296.411 2.197 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@@H](N[C@@H](C)Cc2cccs2)C1=O ZINC000071269476 176103265 /nfs/dbraw/zinc/10/32/65/176103265.db2.gz OSUIXTGYISXONT-GMXVVIOVSA-N 0 3 294.420 2.195 10 0 CEAEHN COc1ccccc1C1CC(NCc2nccn2C)C1 ZINC000071273210 176105268 /nfs/dbraw/zinc/10/52/68/176105268.db2.gz QWIWRHOGAAFQNF-UHFFFAOYSA-N 0 3 271.364 2.465 10 0 CEAEHN CN(CCn1ccc(N)n1)Cc1cccc(Cl)c1 ZINC000071377992 176142646 /nfs/dbraw/zinc/14/26/46/176142646.db2.gz HIWGMECZZBFXAX-UHFFFAOYSA-N 0 3 264.760 2.251 10 0 CEAEHN CC[C@H](C)N1CCN(Cc2cc(C)ccc2N)CC1 ZINC000071384050 176147131 /nfs/dbraw/zinc/14/71/31/176147131.db2.gz RNVMMPIKMQCCKQ-AWEZNQCLSA-N 0 3 261.413 2.493 10 0 CEAEHN NCc1cc2ccccc2nc1OC1CCOCC1 ZINC000071385927 176147394 /nfs/dbraw/zinc/14/73/94/176147394.db2.gz XXATVRJFKRJXCI-UHFFFAOYSA-N 0 3 258.321 2.251 10 0 CEAEHN CCCCNC(=O)[C@H](C)Oc1ccc(C)cc1CNC ZINC000071403677 176155343 /nfs/dbraw/zinc/15/53/43/176155343.db2.gz KBQMIUCPNDNXEI-ZDUSSCGKSA-N 0 3 278.396 2.398 10 0 CEAEHN CCNCc1cc(C)ccc1O[C@@H](C)C(=O)NC(C)C ZINC000071406060 176155634 /nfs/dbraw/zinc/15/56/34/176155634.db2.gz VWHAVWJPXFMHRV-ZDUSSCGKSA-N 0 3 278.396 2.396 10 0 CEAEHN CCCNCc1cc(C)ccc1O[C@H]1CCS(=O)(=O)C1 ZINC000071406171 176155697 /nfs/dbraw/zinc/15/56/97/176155697.db2.gz MLMPBRAFGFHIHB-AWEZNQCLSA-N 0 3 297.420 2.061 10 0 CEAEHN CCNC(=O)CCOc1ccc(C)cc1CNC(C)C ZINC000071406547 176155881 /nfs/dbraw/zinc/15/58/81/176155881.db2.gz GAZBJCIDUIPHLQ-UHFFFAOYSA-N 0 3 278.396 2.398 10 0 CEAEHN CCNCc1cc(C)ccc1OCc1nnc(C)n1C ZINC000071406086 176155942 /nfs/dbraw/zinc/15/59/42/176155942.db2.gz MBLOQNPUSBZPMT-UHFFFAOYSA-N 0 3 274.368 2.120 10 0 CEAEHN Cc1ccc(OCCC(=O)N(C)C)c(CNC2CC2)c1 ZINC000071406776 176156322 /nfs/dbraw/zinc/15/63/22/176156322.db2.gz BXNFRQPJHBJORY-UHFFFAOYSA-N 0 3 276.380 2.104 10 0 CEAEHN CC(C)(C)OC(=O)Nc1cccc([C@@H](N)CO)c1 ZINC000072199167 176339843 /nfs/dbraw/zinc/33/98/43/176339843.db2.gz AINUYRZOJOEQHC-NSHDSACASA-N 0 3 252.314 2.026 10 0 CEAEHN N[C@H](CO)c1ccc(Br)c(Br)c1 ZINC000072199731 176341526 /nfs/dbraw/zinc/34/15/26/176341526.db2.gz ZKWRVFQEEWTNFS-MRVPVSSYSA-N 0 3 294.974 2.204 10 0 CEAEHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C2CCC2)CC1 ZINC000662633229 415913067 /nfs/dbraw/zinc/91/30/67/415913067.db2.gz YBYZKEUFOHSYSQ-BXUZGUMPSA-N 0 3 252.402 2.399 10 0 CEAEHN CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](OC)C1CCCCC1 ZINC000662734280 415948576 /nfs/dbraw/zinc/94/85/76/415948576.db2.gz PZIOPCFRWZIQHX-IACUBPJLSA-N 0 3 270.417 2.071 10 0 CEAEHN CC(C)(N)C(=O)Nc1cc(Br)cs1 ZINC000076358475 177000613 /nfs/dbraw/zinc/00/06/13/177000613.db2.gz RGYBUIPOEKJORZ-UHFFFAOYSA-N 0 3 263.160 2.186 10 0 CEAEHN CNCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1OC ZINC000076368901 177005767 /nfs/dbraw/zinc/00/57/67/177005767.db2.gz OJPJNMSVINIUPR-NSHDSACASA-N 0 3 264.369 2.215 10 0 CEAEHN C[C@@H]1COC[C@@]2(CCCN(Cc3ccccc3)C2)N1 ZINC000076698225 177061674 /nfs/dbraw/zinc/06/16/74/177061674.db2.gz IVHHEJJAJCUDFZ-ZBFHGGJFSA-N 0 3 260.381 2.030 10 0 CEAEHN CC1(C)COC[C@@]2(CCN(Cc3ccccc3)C2)N1 ZINC000076698257 177061874 /nfs/dbraw/zinc/06/18/74/177061874.db2.gz IRSHKBSCPOBWHA-INIZCTEOSA-N 0 3 260.381 2.030 10 0 CEAEHN CCCN(Cc1cc(Cl)ccc1OC)C(=O)CN ZINC000076710747 177067723 /nfs/dbraw/zinc/06/77/23/177067723.db2.gz REGDZJCLSSKUFE-UHFFFAOYSA-N 0 3 270.760 2.046 10 0 CEAEHN CNCc1cn2cc(Br)cc(C)c2n1 ZINC000076792121 177097114 /nfs/dbraw/zinc/09/71/14/177097114.db2.gz BEPFFURLJPSFEE-UHFFFAOYSA-N 0 3 254.131 2.125 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000078516227 177349155 /nfs/dbraw/zinc/34/91/55/177349155.db2.gz VLWMNCZLZZQGJK-DOTOQJQBSA-N 0 3 274.408 2.374 10 0 CEAEHN CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(C)c1[O-] ZINC000078801298 177390415 /nfs/dbraw/zinc/39/04/15/177390415.db2.gz NWEOKSROWVOBII-LBPRGKRZSA-N 0 3 264.369 2.161 10 0 CEAEHN O=C(c1c[nH]c2cc(F)ccc12)N1CCN2CCC[C@@H]2C1 ZINC000192926386 227385932 /nfs/dbraw/zinc/38/59/32/227385932.db2.gz SCORTUDKAIACOB-GFCCVEGCSA-N 0 3 287.338 2.227 10 0 CEAEHN C[C@H](C[C@H]1COCCN1)N[C@@H](C)c1cc(F)ccc1F ZINC000133547775 419432244 /nfs/dbraw/zinc/43/22/44/419432244.db2.gz YYSXJAJBJREJRL-MDZLAQPJSA-N 0 3 284.350 2.382 10 0 CEAEHN CCN1CCC[C@H](NC(=O)/C=C/c2cccc(O)c2)C1 ZINC000186673371 270251391 /nfs/dbraw/zinc/25/13/91/270251391.db2.gz BUOLFRJGJMQEQZ-VFNNOXKTSA-N 0 3 274.364 2.006 10 0 CEAEHN C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCCO1 ZINC000044276752 270229077 /nfs/dbraw/zinc/22/90/77/270229077.db2.gz DLWZADLYDXLQFZ-IUODEOHRSA-N 0 3 291.395 2.437 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCc3occc32)C1 ZINC000194150399 270293614 /nfs/dbraw/zinc/29/36/14/270293614.db2.gz PENGKYVEEHZFTF-TZMCWYRMSA-N 0 3 291.395 2.441 10 0 CEAEHN O=C1C[C@@H](CNCc2cc(Cl)sc2Cl)CN1 ZINC000398463379 270358917 /nfs/dbraw/zinc/35/89/17/270358917.db2.gz SRBGBHZNJQVEGD-LURJTMIESA-N 0 3 279.192 2.281 10 0 CEAEHN CCC[C@@H](C(=O)NCCc1ccsc1)N(C)C ZINC000179484696 280105700 /nfs/dbraw/zinc/10/57/00/280105700.db2.gz YLQHXHXREKHYRY-LBPRGKRZSA-N 0 3 254.399 2.137 10 0 CEAEHN CCOC(=O)c1cnc2ccc(C)cc2c1N1CCNCC1 ZINC000053994918 273692840 /nfs/dbraw/zinc/69/28/40/273692840.db2.gz VXYVJTJEGVHBRS-UHFFFAOYSA-N 0 3 299.374 2.130 10 0 CEAEHN C[C@H](N[C@@H](C)[C@H]1CCCO1)C(=O)Nc1cccnc1Cl ZINC000183141136 274518598 /nfs/dbraw/zinc/51/85/98/274518598.db2.gz TXJQFTZGCYKBBK-JBLDHEPKSA-N 0 3 297.786 2.219 10 0 CEAEHN CC(C)[C@@H](N)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000088445887 275673010 /nfs/dbraw/zinc/67/30/10/275673010.db2.gz VMDOOLBETQBMGB-KXUCPTDWSA-N 0 3 266.307 2.207 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000236927137 276043207 /nfs/dbraw/zinc/04/32/07/276043207.db2.gz PFBYIVCJJAIVES-KBPBESRZSA-N 0 3 264.344 2.447 10 0 CEAEHN CC1CCC(CN2CCO[C@@H](Cn3cccn3)C2)CC1 ZINC000122335491 276188957 /nfs/dbraw/zinc/18/89/57/276188957.db2.gz VEHKCSJBBYXFKQ-UYSNPLJNSA-N 0 3 277.412 2.410 10 0 CEAEHN CCC[C@@H](C(=O)NCCC[C@@H]1CCCCO1)N(C)C ZINC000183431927 276268827 /nfs/dbraw/zinc/26/88/27/276268827.db2.gz KENDZEVVFSGHOU-KBPBESRZSA-N 0 3 270.417 2.182 10 0 CEAEHN CCOCCN1CCN(C[C@H]2CCC(C)(C)O2)C[C@@H]1CC ZINC000248539360 276323244 /nfs/dbraw/zinc/32/32/44/276323244.db2.gz AQJGJZRWWGZGEF-JKSUJKDBSA-N 0 3 298.471 2.377 10 0 CEAEHN CN1CCC[C@@H]1CNC(=O)NC1CCC(C)(C)CC1 ZINC000174353627 277062881 /nfs/dbraw/zinc/06/28/81/277062881.db2.gz PFJDGFZQRGOQFE-CYBMUJFWSA-N 0 3 267.417 2.349 10 0 CEAEHN CN1c2ccccc2[C@@H](NC[C@]2(C)CCCO2)CC1=O ZINC000094796890 277218109 /nfs/dbraw/zinc/21/81/09/277218109.db2.gz BSAJPVDQTKSVOI-BBRMVZONSA-N 0 3 274.364 2.253 10 0 CEAEHN CCN1CCCN(C(=O)N[C@H]2CCC23CCCC3)CC1 ZINC000334996025 279286946 /nfs/dbraw/zinc/28/69/46/279286946.db2.gz VKDGIEYUZYRYQG-AWEZNQCLSA-N 0 3 279.428 2.446 10 0 CEAEHN CCOC[C@H](C)N[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000044691751 279601566 /nfs/dbraw/zinc/60/15/66/279601566.db2.gz ONIOZOAQMJUJSD-WCQYABFASA-N 0 3 262.353 2.109 10 0 CEAEHN CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@@H]1NC ZINC000003603346 279604968 /nfs/dbraw/zinc/60/49/68/279604968.db2.gz PDJZPNKVLDWEKI-GOEBONIOSA-N 0 3 259.349 2.426 10 0 in-vitro CEAEHN C[C@]1(C(=O)Nc2cc(Cl)ccn2)CCCCN1 ZINC000235707613 280150267 /nfs/dbraw/zinc/15/02/67/280150267.db2.gz WMIDEOFLNGMBHV-GFCCVEGCSA-N 0 3 253.733 2.206 10 0 CEAEHN CCC[C@H](C(=O)N[C@H]1C[C@](C)(OC)C1(C)C)N(C)C ZINC000245519219 280247255 /nfs/dbraw/zinc/24/72/55/280247255.db2.gz SDMQRKBHZSBHJA-XUJVJEKNSA-N 0 3 270.417 2.037 10 0 CEAEHN COc1c(CN2CC[C@H](C)[C@@H](C)C2)c(C)nn1C ZINC000245737172 280258935 /nfs/dbraw/zinc/25/89/35/280258935.db2.gz LCSLJTOOMKDJNB-QWRGUYRKSA-N 0 3 251.374 2.215 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@]1(C)CCCS1 ZINC000246657667 280305409 /nfs/dbraw/zinc/30/54/09/280305409.db2.gz PSPTZDXYOQNJIA-UKRRQHHQSA-N 0 3 299.484 2.398 10 0 CEAEHN CC(C)[C@H]1N(C(=O)C23CCCN2CCC3)C[C@]12CCCO2 ZINC000334613295 280446406 /nfs/dbraw/zinc/44/64/06/280446406.db2.gz PDZPHXGHIQLNSJ-RHSMWYFYSA-N 0 3 292.423 2.031 10 0 CEAEHN CC[C@H]1CCCCN1C(=O)CN(C)C[C@H]1CCCN1CC ZINC000245474326 281043026 /nfs/dbraw/zinc/04/30/26/281043026.db2.gz QUNJNCRBVGJPAM-JKSUJKDBSA-N 0 3 295.471 2.194 10 0 CEAEHN CCc1ccc([C@@H](C)NC[C@@H](C)N2CCOCC2)o1 ZINC000123568880 281411997 /nfs/dbraw/zinc/41/19/97/281411997.db2.gz MZKNGCMLTMYHDP-CHWSQXEVSA-N 0 3 266.385 2.213 10 0 CEAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(C)nc2C)C1 ZINC000152333318 289086150 /nfs/dbraw/zinc/08/61/50/289086150.db2.gz UZFCSQZYCZWLNQ-ZDUSSCGKSA-N 0 3 276.384 2.304 10 0 CEAEHN CC[C@@H](O)CN1CCN(CCCSCC(C)C)CC1 ZINC000154471510 289146622 /nfs/dbraw/zinc/14/66/22/289146622.db2.gz HKMRTBXPNLRCDU-OAHLLOKOSA-N 0 3 288.501 2.154 10 0 CEAEHN CCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1SCC ZINC000262442424 289259738 /nfs/dbraw/zinc/25/97/38/289259738.db2.gz BJXQUTLBQDTAAM-QJPTWQEYSA-N 0 3 258.431 2.294 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000152200963 289315561 /nfs/dbraw/zinc/31/55/61/289315561.db2.gz LHBVEHZNUOUJIS-HZPDHXFCSA-N 0 3 272.392 2.343 10 0 CEAEHN CO[C@H](C)[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000189735694 294330038 /nfs/dbraw/zinc/33/00/38/294330038.db2.gz GOMJDOHXLXWJSZ-GZBFAFLISA-N 0 3 293.411 2.012 10 0 CEAEHN CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C(C)C ZINC000171108900 297474420 /nfs/dbraw/zinc/47/44/20/297474420.db2.gz CVVLLXPZPBKIFV-CYBMUJFWSA-N 0 3 257.422 2.403 10 0 CEAEHN Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C)O2)N(C)C)cc1 ZINC000150977143 301796802 /nfs/dbraw/zinc/79/68/02/301796802.db2.gz XSCMRNUWKDWZEL-CWRNSKLLSA-N 0 3 290.407 2.281 10 0 CEAEHN Cc1nc(C(=O)N[C@H](CC(C)C)CN(C)C)c(C)s1 ZINC000179238225 302557846 /nfs/dbraw/zinc/55/78/46/302557846.db2.gz ONWUEMIOMIWSEU-GFCCVEGCSA-N 0 3 283.441 2.466 10 0 CEAEHN CCC[C@H](C(=O)NCCCCOC(C)C)N(C)C ZINC000183341998 321715360 /nfs/dbraw/zinc/71/53/60/321715360.db2.gz ATSZHCBQWXCFAD-CYBMUJFWSA-N 0 3 258.406 2.038 10 0 CEAEHN COCCNCCNc1nc2ccccc2cc1C ZINC000215506327 327243982 /nfs/dbraw/zinc/24/39/82/327243982.db2.gz DJMHBMFENNVZLZ-UHFFFAOYSA-N 0 3 259.353 2.191 10 0 CEAEHN C[C@@H]1C[C@@]2(CO)CN(Cc3ccccc3)CC[C@H]2O1 ZINC000536961035 330384285 /nfs/dbraw/zinc/38/42/85/330384285.db2.gz VGBCYGHICHZLQC-BMFZPTHFSA-N 0 3 261.365 2.048 10 0 CEAEHN CC(C)[C@H](C)N(C)Cc1nc(NN)ccc1Cl ZINC000061631006 519811829 /nfs/dbraw/zinc/81/18/29/519811829.db2.gz MAIBGUBPXYRHKK-VIFPVBQESA-N 0 3 256.781 2.497 10 0 CEAEHN CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)NC ZINC000062746474 519888976 /nfs/dbraw/zinc/88/89/76/519888976.db2.gz HDKRVPSTJIFSEV-GHMZBOCLSA-N 0 3 282.359 2.400 10 0 CEAEHN CCC[NH2+][C@@H](CCN1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443515 520002957 /nfs/dbraw/zinc/00/29/57/520002957.db2.gz WPQQQQKNYFKJOB-XQQFMLRXSA-N 0 3 256.390 2.092 10 0 CEAEHN CCN[C@@H](C)c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052295399 520077932 /nfs/dbraw/zinc/07/79/32/520077932.db2.gz FPHXZCGCUNFKIZ-MJVIPROJSA-N 0 3 282.409 2.044 10 0 CEAEHN CCN[C@@H](CCN1CCC(C(C)(C)C)CC1)C(=O)OC ZINC000062530649 520088908 /nfs/dbraw/zinc/08/89/08/520088908.db2.gz WHELZQLWSUJXPN-AWEZNQCLSA-N 0 3 284.444 2.286 10 0 CEAEHN CCN[C@@H](CN1CCN(C)C1=O)c1ccc(C)cc1 ZINC000052885614 520098956 /nfs/dbraw/zinc/09/89/56/520098956.db2.gz HMQBAFYSSWJRHU-AWEZNQCLSA-N 0 3 261.369 2.013 10 0 CEAEHN CCCN[C@](CN(C)CC1CCC1)(C(=O)OC)C1CC1 ZINC000069231886 520117162 /nfs/dbraw/zinc/11/71/62/520117162.db2.gz NDKYSLDYRIQPDT-INIZCTEOSA-N 0 3 282.428 2.040 10 0 CEAEHN CCN[C@@](C)(CCSCc1cccc(C)c1)C(N)=O ZINC000054966534 520134667 /nfs/dbraw/zinc/13/46/67/520134667.db2.gz SZEPUFCJPSSWMO-HNNXBMFYSA-N 0 3 280.437 2.472 10 0 CEAEHN CCOc1ccc(C)cc1[C@@H](NC)[C@H]1COCCO1 ZINC000055301427 520927569 /nfs/dbraw/zinc/92/75/69/520927569.db2.gz WUYLTWPGLMIRJX-HUUCEWRRSA-N 0 3 265.353 2.070 10 0 CEAEHN CCC(C)(C)[N@H+](C)CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000069443391 521305572 /nfs/dbraw/zinc/30/55/72/521305572.db2.gz LNFGLIIABUDKHQ-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CCC(C)(C)[N@@H+](C)CC[C@](C)(NC1CC1)C(=O)[O-] ZINC000069443391 521305578 /nfs/dbraw/zinc/30/55/78/521305578.db2.gz LNFGLIIABUDKHQ-AWEZNQCLSA-N 0 3 256.390 2.092 10 0 CEAEHN CNC(C)(C)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000061300921 521938868 /nfs/dbraw/zinc/93/88/68/521938868.db2.gz HXZLHUFWNAWKCT-UHFFFAOYSA-N 0 3 284.743 2.063 10 0 CEAEHN CC[C@@H](C)N1CCN(c2cccc(F)c2N)CC1 ZINC000055066633 522133790 /nfs/dbraw/zinc/13/37/90/522133790.db2.gz LJNOUDCZGUSZJM-LLVKDONJSA-N 0 3 251.349 2.328 10 0 CEAEHN CNCc1oc(CN(C)CC(F)(F)F)cc1C ZINC000052483448 522161040 /nfs/dbraw/zinc/16/10/40/522161040.db2.gz STXVIXPMDKNQHF-UHFFFAOYSA-N 0 3 250.264 2.302 10 0 CEAEHN CN[C@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689761 522517974 /nfs/dbraw/zinc/51/79/74/522517974.db2.gz IGBCVVTUGDIQMU-SNVBAGLBSA-N 0 3 262.122 2.015 10 0 CEAEHN CN[C@@H](c1cnn(C)c1)c1cncc2ccccc21 ZINC000087423280 517976182 /nfs/dbraw/zinc/97/61/82/517976182.db2.gz FFVAUYANSJRRLM-HNNXBMFYSA-N 0 3 252.321 2.277 10 0 CEAEHN CC(C)Cn1ccnc(NCCN2CCC(C)CC2)c1=O ZINC000061764470 519519294 /nfs/dbraw/zinc/51/92/94/519519294.db2.gz CQIVWDRKVDMJNJ-UHFFFAOYSA-N 0 3 292.427 2.043 10 0 CEAEHN CC(C)N1CCN(Cc2cc(CNC3CC3)co2)CC1 ZINC000052480084 519682131 /nfs/dbraw/zinc/68/21/31/519682131.db2.gz MTOXDEWITQXCBD-UHFFFAOYSA-N 0 3 277.412 2.058 10 0 CEAEHN CC(C)CN1CCN(C[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000055082372 519726669 /nfs/dbraw/zinc/72/66/69/519726669.db2.gz OSHKPGMSFKYWKF-HOTGVXAUSA-N 0 3 268.445 2.201 10 0 CEAEHN CC(C)N[C@@H](CCSc1ccccc1)C(N)=O ZINC000062597935 519734621 /nfs/dbraw/zinc/73/46/21/519734621.db2.gz NUUPPKIHLOOCLI-LBPRGKRZSA-N 0 3 252.383 2.021 10 0 CEAEHN CC(C)N[C@@](COC1CCCCCC1)(C(N)=O)C1CC1 ZINC000069194453 519737742 /nfs/dbraw/zinc/73/77/42/519737742.db2.gz AGPIMRDDKZRTBK-MRXNPFEDSA-N 0 3 282.428 2.358 10 0 CEAEHN CC(C)C[C@@H](CN(C)C)NC(=O)Nc1cccc(N)c1 ZINC000049560545 519775508 /nfs/dbraw/zinc/77/55/08/519775508.db2.gz ITMMHDLDLKOTNT-AWEZNQCLSA-N 0 3 278.400 2.367 10 0 CEAEHN CC(C)Oc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1 ZINC000062669917 519778162 /nfs/dbraw/zinc/77/81/62/519778162.db2.gz PPWVMMMFEWPSOC-UHFFFAOYSA-N 0 3 286.379 2.274 10 0 CEAEHN CCCN1CCN(Cc2cccnc2NCC)CC1 ZINC000052709703 519859016 /nfs/dbraw/zinc/85/90/16/519859016.db2.gz MGWLPLRDPMXCQQ-UHFFFAOYSA-N 0 3 262.401 2.041 10 0 CEAEHN CCC1CCN(C[C@@](NC2CC2)(C(=O)OC)C2CC2)CC1 ZINC000069183785 519859261 /nfs/dbraw/zinc/85/92/61/519859261.db2.gz ZUIMYXOCUYDPRU-KRWDZBQOSA-N 0 3 294.439 2.182 10 0 CEAEHN CCCN1CCN([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024536 519859630 /nfs/dbraw/zinc/85/96/30/519859630.db2.gz PZYVTZAAYWHYLC-OAHLLOKOSA-N 0 3 291.464 2.432 10 0 CEAEHN CCCC1CCN(CC[C@](C)(NC)C(=O)OCC)CC1 ZINC000050905733 519901644 /nfs/dbraw/zinc/90/16/44/519901644.db2.gz QUXPXZVRPYMYID-INIZCTEOSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCC1CCN(Cc2ccc(C(N)=O)cc2N)CC1 ZINC000050892875 519901985 /nfs/dbraw/zinc/90/19/85/519901985.db2.gz VBLJMDXWILJEIO-UHFFFAOYSA-N 0 3 275.396 2.380 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000061286817 519906502 /nfs/dbraw/zinc/90/65/02/519906502.db2.gz WLOGYVUZFODEPX-UHFFFAOYSA-N 0 3 296.367 2.039 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000061290173 519906911 /nfs/dbraw/zinc/90/69/11/519906911.db2.gz ISEHQXCTQPXOIU-UHFFFAOYSA-N 0 3 277.368 2.280 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccc(OC)c(OCC)c1 ZINC000061292858 519907232 /nfs/dbraw/zinc/90/72/32/519907232.db2.gz YPKUKPHCAOZOFY-UHFFFAOYSA-N 0 3 280.368 2.421 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cccc(OCC)c1 ZINC000061293734 519907896 /nfs/dbraw/zinc/90/78/96/519907896.db2.gz JSWAPSGZQRBLHT-UHFFFAOYSA-N 0 3 250.342 2.412 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1OCC ZINC000061286766 519908198 /nfs/dbraw/zinc/90/81/98/519908198.db2.gz AIJGJXRQXQPYAL-UHFFFAOYSA-N 0 3 250.342 2.412 10 0 CEAEHN CCNCc1cc2c(cc1OC1CCOCC1)OCO2 ZINC000069289142 519992563 /nfs/dbraw/zinc/99/25/63/519992563.db2.gz NPEDAAPKVGCNMZ-UHFFFAOYSA-N 0 3 279.336 2.083 10 0 CEAEHN CCNCc1ccoc1CN1C[C@H](C)OC[C@@H]1CC ZINC000052570882 520013868 /nfs/dbraw/zinc/01/38/68/520013868.db2.gz PAJKNDUADIEDEW-JSGCOSHPSA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1cnc(Cc2cccc(OC)c2)nc1 ZINC000054855641 520015613 /nfs/dbraw/zinc/01/56/13/520015613.db2.gz WDXCOXDCKGABPV-UHFFFAOYSA-N 0 3 257.337 2.186 10 0 CEAEHN CCCN[C@@H](c1ccc(OC)c(C)c1)[C@H]1COCCO1 ZINC000055300744 520017736 /nfs/dbraw/zinc/01/77/36/520017736.db2.gz JRCSIKFGQYOOGW-CVEARBPZSA-N 0 3 279.380 2.460 10 0 CEAEHN CCNCc1occc1CN1C[C@H](C)OC(C)(C)C1 ZINC000052543481 520031222 /nfs/dbraw/zinc/03/12/22/520031222.db2.gz DVVVVSXMYYRYNP-LBPRGKRZSA-N 0 3 266.385 2.388 10 0 CEAEHN CCCN[C@H](CCN1c2ccccc2CC[C@@H]1C)C(N)=O ZINC000062436683 520076954 /nfs/dbraw/zinc/07/69/54/520076954.db2.gz INNIHGQTZXNNPX-DZGCQCFKSA-N 0 3 289.423 2.071 10 0 CEAEHN CCN[C@@H](C)c1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904545 520080781 /nfs/dbraw/zinc/08/07/81/520080781.db2.gz VFDQKNYQKLMTNM-JTQLQIEISA-N 0 3 269.414 2.429 10 0 CEAEHN CCCN[C@H](c1ccc(F)c(F)c1)[C@@H]1COCCO1 ZINC000055300595 520089428 /nfs/dbraw/zinc/08/94/28/520089428.db2.gz RUQLCXVNCZJWJE-UONOGXRCSA-N 0 3 271.307 2.421 10 0 CEAEHN CCCN[C@H](c1ccc(OC)cc1)[C@@H](C)S(C)(=O)=O ZINC000054930579 520090048 /nfs/dbraw/zinc/09/00/48/520090048.db2.gz OOLUSAVTZAZKCV-RISCZKNCSA-N 0 3 285.409 2.169 10 0 CEAEHN CCCN[C@H](c1ccc(OC)c(C)c1)[C@@H]1COCCO1 ZINC000055300742 520090968 /nfs/dbraw/zinc/09/09/68/520090968.db2.gz JRCSIKFGQYOOGW-JKSUJKDBSA-N 0 3 279.380 2.460 10 0 CEAEHN CCCN[C@H]1COc2cc(OC[C@@H](O)CC)ccc21 ZINC000062805120 520098011 /nfs/dbraw/zinc/09/80/11/520098011.db2.gz VHZOSWDHGJIHCZ-FZMZJTMJSA-N 0 3 265.353 2.269 10 0 CEAEHN CCCN[C@](C)(CCN1CCCC(C)(C)C1)C(=O)OC ZINC000069516839 520105067 /nfs/dbraw/zinc/10/50/67/520105067.db2.gz PIMPKTXVJJUBAB-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCN[C@@H](Cn1nc(C)ccc1=O)c1ccccc1C ZINC000061810184 520108260 /nfs/dbraw/zinc/10/82/60/520108260.db2.gz KXXLXRAMRCXNNW-HNNXBMFYSA-N 0 3 271.364 2.211 10 0 CEAEHN CCCN[C@](COc1cccc(CC)c1)(C(N)=O)C1CC1 ZINC000069196622 520123376 /nfs/dbraw/zinc/12/33/76/520123376.db2.gz UWDGUKUMPIRGBC-KRWDZBQOSA-N 0 3 290.407 2.262 10 0 CEAEHN CCN[C@@](C)(CCN1CCCC(C)(C)C1)C(=O)OC ZINC000069517133 520132825 /nfs/dbraw/zinc/13/28/25/520132825.db2.gz OZZXOYVGVNQTRC-HNNXBMFYSA-N 0 3 270.417 2.040 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)N(CC)c1ccccc1C)C(N)=O ZINC000068616686 520139051 /nfs/dbraw/zinc/13/90/51/520139051.db2.gz IFGXDXJXMOEPRC-PBHICJAKSA-N 0 3 291.439 2.453 10 0 CEAEHN CCCNc1ccc(C)cc1C(=O)NC[C@@H](C)N(C)C ZINC000053004145 520154843 /nfs/dbraw/zinc/15/48/43/520154843.db2.gz QGJXNOMFYSMXSP-CYBMUJFWSA-N 0 3 277.412 2.497 10 0 CEAEHN CCN[C@@](CSCC1CCCC1)(C(N)=O)C1CC1 ZINC000069190744 520158888 /nfs/dbraw/zinc/15/88/88/520158888.db2.gz AKRAJBGLAKHYMR-CQSZACIVSA-N 0 3 270.442 2.153 10 0 CEAEHN CCN[C@@](CSc1ccccc1OC)(C(N)=O)C1CC1 ZINC000069188806 520159355 /nfs/dbraw/zinc/15/93/55/520159355.db2.gz QOEYDSHWCWOSEX-OAHLLOKOSA-N 0 3 294.420 2.031 10 0 CEAEHN CCN[C@@](CSc1cccs1)(C(N)=O)C1CC1 ZINC000069185001 520159380 /nfs/dbraw/zinc/15/93/80/520159380.db2.gz VRRHOCLEBFKTSY-GFCCVEGCSA-N 0 3 270.423 2.084 10 0 CEAEHN CCCNc1ccc(Cl)c(C(=O)NC[C@@H](C)N(C)C)n1 ZINC000050779984 520161774 /nfs/dbraw/zinc/16/17/74/520161774.db2.gz FYQASBRHXLDYKT-SNVBAGLBSA-N 0 3 298.818 2.237 10 0 CEAEHN CCN[C@H](CCOc1cccc(C(C)(C)C)c1)C(N)=O ZINC000062594656 520192674 /nfs/dbraw/zinc/19/26/74/520192674.db2.gz LOJAFEKBQAIOKC-CQSZACIVSA-N 0 3 278.396 2.216 10 0 CEAEHN CCCNc1ncccc1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000050777682 520194715 /nfs/dbraw/zinc/19/47/15/520194715.db2.gz VYHHEOJWZFVTNO-CYBMUJFWSA-N 0 3 290.411 2.118 10 0 CEAEHN CCN[C@H](Cc1ncc[nH]1)c1ccc(OC)c(F)c1 ZINC000061668928 520206110 /nfs/dbraw/zinc/20/61/10/520206110.db2.gz LARIUSXGIFQIBG-GFCCVEGCSA-N 0 3 263.316 2.451 10 0 CEAEHN CCN[C@H](c1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000050544504 520207932 /nfs/dbraw/zinc/20/79/32/520207932.db2.gz TUNCEZTUBUHFJC-TZMCWYRMSA-N 0 3 285.384 2.219 10 0 CEAEHN CCN[C@H](c1ccc2[nH]c(=O)oc2c1)[C@H]1CCCCO1 ZINC000050962218 520209576 /nfs/dbraw/zinc/20/95/76/520209576.db2.gz WQLYJWHGZSWJRI-TZMCWYRMSA-N 0 3 276.336 2.341 10 0 CEAEHN CCN[C@](CN(CC)c1ccccc1C)(C(N)=O)C1CC1 ZINC000069089928 520246501 /nfs/dbraw/zinc/24/65/01/520246501.db2.gz XFTNEEAFGBRCFJ-KRWDZBQOSA-N 0 3 289.423 2.065 10 0 CEAEHN CCNc1ccc(CN2CCN(CC(C)C)CC2)cn1 ZINC000055081533 520300798 /nfs/dbraw/zinc/30/07/98/520300798.db2.gz SRPKBVGQCRRJCX-UHFFFAOYSA-N 0 3 276.428 2.287 10 0 CEAEHN CCNc1ccc(CN2CCCC[C@@H]2CCO)cn1 ZINC000050792888 520302101 /nfs/dbraw/zinc/30/21/01/520302101.db2.gz OSYNHKVFFNVREY-CQSZACIVSA-N 0 3 263.385 2.250 10 0 CEAEHN CCCOc1ccc(CN)c(OCCCCCO)c1 ZINC000051019839 520344704 /nfs/dbraw/zinc/34/47/04/520344704.db2.gz OELCYPDIZDURFY-UHFFFAOYSA-N 0 3 267.369 2.476 10 0 CEAEHN CCNc1ncccc1CN1CCCC[C@@H]1CCO ZINC000052717174 520378087 /nfs/dbraw/zinc/37/80/87/520378087.db2.gz YYTIJAAGZDJGDX-CQSZACIVSA-N 0 3 263.385 2.250 10 0 CEAEHN CCCOc1ccc(O[C@H](C)C[C@](C)(NC)C(N)=O)cc1 ZINC000068657280 520410150 /nfs/dbraw/zinc/41/01/50/520410150.db2.gz YMIFXQBPNMQCTF-WBMJQRKESA-N 0 3 294.395 2.096 10 0 CEAEHN CC1(C)CN(Cc2occc2CNC2CC2)CCO1 ZINC000052481781 520488941 /nfs/dbraw/zinc/48/89/41/520488941.db2.gz SPOBSVCYVRNOTI-UHFFFAOYSA-N 0 3 264.369 2.142 10 0 CEAEHN CCN(CC)C(=O)[C@@H](CN)Cc1cccc2cccnc21 ZINC000069500530 520523406 /nfs/dbraw/zinc/52/34/06/520523406.db2.gz HOWUZOAUHPXGDE-OAHLLOKOSA-N 0 3 285.391 2.221 10 0 CEAEHN CCCCNC(=O)COc1cc(F)ccc1[C@H](C)NC ZINC000062746103 520624190 /nfs/dbraw/zinc/62/41/90/520624190.db2.gz VCLPVVSQMFKQSF-NSHDSACASA-N 0 3 282.359 2.401 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)CCC[C@H](C)[C@@H]1C ZINC000068631297 520690079 /nfs/dbraw/zinc/69/00/79/520690079.db2.gz ADADNRLLUZAXJO-OFQRWUPVSA-N 0 3 284.444 2.286 10 0 CEAEHN CCC[C@@H](NCCS(C)(=O)=O)c1cccs1 ZINC000049543954 520775063 /nfs/dbraw/zinc/77/50/63/520775063.db2.gz BPEMKZGXNDDESO-SNVBAGLBSA-N 0 3 261.412 2.224 10 0 CEAEHN CCCCO[C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000068529348 520838380 /nfs/dbraw/zinc/83/83/80/520838380.db2.gz BMERYAGHMAVZGI-ZIAGYGMSSA-N 0 3 272.433 2.284 10 0 CEAEHN CCC[C@H](C(=O)N(C)C[C@H](C)c1nccs1)N(C)C ZINC000183329575 520970058 /nfs/dbraw/zinc/97/00/58/520970058.db2.gz LOMJMCNTIKUPGZ-NWDGAFQWSA-N 0 3 283.441 2.435 10 0 CEAEHN CCN(CC[C@@H](NC(C)C)C(N)=O)c1cccc(C)c1 ZINC000062452990 521155578 /nfs/dbraw/zinc/15/55/78/521155578.db2.gz SQZPFVGVXUHKEW-OAHLLOKOSA-N 0 3 277.412 2.063 10 0 CEAEHN CCN(C[C@H]1CCCO1)c1nc(C2CC2)c(CN)s1 ZINC000069180376 521271357 /nfs/dbraw/zinc/27/13/57/521271357.db2.gz ISWLNCCAVRRDRO-LLVKDONJSA-N 0 3 281.425 2.485 10 0 CEAEHN CCN(Cc1cc(C)c(CNC)o1)[C@@H](C)COC ZINC000052505149 521286278 /nfs/dbraw/zinc/28/62/78/521286278.db2.gz FOKVPOQRJDVLBL-LBPRGKRZSA-N 0 3 254.374 2.164 10 0 CEAEHN CCN(Cc1cc(CN)c(C)o1)CC(F)(F)F ZINC000052503068 521290291 /nfs/dbraw/zinc/29/02/91/521290291.db2.gz XBOAYALUXNYFMO-UHFFFAOYSA-N 0 3 250.264 2.431 10 0 CEAEHN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)NC ZINC000052395750 521391442 /nfs/dbraw/zinc/39/14/42/521391442.db2.gz KCKPFXLGOQOCKO-MRVPVSSYSA-N 0 3 284.381 2.088 10 0 CEAEHN CCN(Cc1ccco1)C(=O)[C@@H](CN)c1ccccc1 ZINC000061612066 521398297 /nfs/dbraw/zinc/39/82/97/521398297.db2.gz OWPMXTUPNUEADF-HNNXBMFYSA-N 0 3 272.348 2.371 10 0 CEAEHN CCN(Cc1ccoc1CNC1CC1)[C@H](C)COC ZINC000052504835 521424270 /nfs/dbraw/zinc/42/42/70/521424270.db2.gz IQRBZTDHBQQRHQ-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN CCN(Cc1ccoc1CNC)Cc1ccncc1 ZINC000052514963 521425191 /nfs/dbraw/zinc/42/51/91/521425191.db2.gz YMZZFWPNSCXURO-UHFFFAOYSA-N 0 3 259.353 2.416 10 0 CEAEHN CCN(c1ncc([C@@H](C)NC)s1)[C@@H](C)COC ZINC000054906535 521507583 /nfs/dbraw/zinc/50/75/83/521507583.db2.gz VVIXRQNNLYCEAG-VHSXEESVSA-N 0 3 257.403 2.285 10 0 CEAEHN CCCc1nc(N2CCN([C@@H](C)CC)CC2)sc1CN ZINC000055076538 521532864 /nfs/dbraw/zinc/53/28/64/521532864.db2.gz WIBPMJGQABUMCN-LBPRGKRZSA-N 0 3 296.484 2.475 10 0 CEAEHN CCC(CC)N(CCOC)C(=O)[C@@H](CN)c1ccccc1 ZINC000061612063 521557000 /nfs/dbraw/zinc/55/70/00/521557000.db2.gz WLWLSXJJVCSWDM-INIZCTEOSA-N 0 3 292.423 2.393 10 0 CEAEHN CCN1CCC[C@@H](N2C(=S)N=NC2C(C)C)C1 ZINC000049219372 521627887 /nfs/dbraw/zinc/62/78/87/521627887.db2.gz LUHKLDMBBUTVTN-SNVBAGLBSA-N 0 3 254.403 2.347 10 0 CEAEHN CCCN(CCN(C)C)Cc1cc(CNC(C)(C)C)no1 ZINC000052544200 521656807 /nfs/dbraw/zinc/65/68/07/521656807.db2.gz HDJXECJPKBVDOE-UHFFFAOYSA-N 0 3 296.459 2.336 10 0 CEAEHN CCN1CCc2nc(CNCC(C)C)sc2C1 ZINC000061799578 521724482 /nfs/dbraw/zinc/72/44/82/521724482.db2.gz CSULIQRNNUWNKJ-UHFFFAOYSA-N 0 3 253.415 2.267 10 0 CEAEHN CCc1cccc(O[C@@H](C)C[C@@](C)(NC2CC2)C(N)=O)c1 ZINC000068654357 521780927 /nfs/dbraw/zinc/78/09/27/521780927.db2.gz MBSMALPVJGISAL-YVEFUNNKSA-N 0 3 290.407 2.402 10 0 CEAEHN COCC[C@H](N)C(=O)Nc1ccccc1C(F)(F)F ZINC000052790763 521949059 /nfs/dbraw/zinc/94/90/59/521949059.db2.gz GSAPNTMRIWCTBF-VIFPVBQESA-N 0 3 276.258 2.008 10 0 CEAEHN CCc1ccsc1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000069132651 521994451 /nfs/dbraw/zinc/99/44/51/521994451.db2.gz KRCVNDURCUFVEC-AOOOYVTPSA-N 0 3 252.383 2.133 10 0 CEAEHN COC(=O)c1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000246248133 522008845 /nfs/dbraw/zinc/00/88/45/522008845.db2.gz VZFHRPRSJWMAAC-INIZCTEOSA-N 0 3 288.391 2.143 10 0 CEAEHN CNCc1c(C)nn(C)c1N(C)c1ccccc1F ZINC000050005969 522101283 /nfs/dbraw/zinc/10/12/83/522101283.db2.gz HSPRJCSZYPDFKK-UHFFFAOYSA-N 0 3 262.332 2.355 10 0 CEAEHN CNCc1cc(Cn2nnc(-c3ccccc3)n2)c(C)o1 ZINC000052574694 522112605 /nfs/dbraw/zinc/11/26/05/522112605.db2.gz PPFMKSTUEFXZDE-UHFFFAOYSA-N 0 3 283.335 2.009 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2ccc(NC)nc2)CC1 ZINC000055071167 522126698 /nfs/dbraw/zinc/12/66/98/522126698.db2.gz VPIGYIPTQLADKE-CYBMUJFWSA-N 0 3 262.401 2.039 10 0 CEAEHN CCc1nc(N2C[C@@H](C)OC[C@@H]2CC)sc1CN ZINC000055001380 522389427 /nfs/dbraw/zinc/38/94/27/522389427.db2.gz MXPLHVXYQHCTEE-ZJUUUORDSA-N 0 3 269.414 2.168 10 0 CEAEHN CCc1nc(N2C[C@H](C)OC[C@@H]2CC)sc1CNC ZINC000055001456 522389964 /nfs/dbraw/zinc/38/99/64/522389964.db2.gz GMGDGWVLCSDRQU-QWRGUYRKSA-N 0 3 283.441 2.429 10 0 CEAEHN CCc1nc(NC(=O)[C@@](C)(N)C2CC2)sc1C ZINC000049184685 522402382 /nfs/dbraw/zinc/40/23/82/522402382.db2.gz AJTDCFVJEIPAFB-LBPRGKRZSA-N 0 3 253.371 2.080 10 0 CEAEHN CN[C@@](C)(C[C@H](C)O[C@@H]1C[C@@H](C)CC(C)(C)C1)C(N)=O ZINC000068653121 522419696 /nfs/dbraw/zinc/41/96/96/522419696.db2.gz FTORRMJWMSUISK-IATRGZMQSA-N 0 3 284.444 2.460 10 0 CEAEHN CN[C@@](CO[C@H]1C[C@@H](C)CC(C)(C)C1)(C(N)=O)C1CC1 ZINC000069195633 522428674 /nfs/dbraw/zinc/42/86/74/522428674.db2.gz KIFJPQIPGRPNRL-PVXIVEMSSA-N 0 3 282.428 2.071 10 0 CEAEHN CN[C@@](COc1ccc2ccccc2c1)(C(N)=O)C1CC1 ZINC000069197784 522430791 /nfs/dbraw/zinc/43/07/91/522430791.db2.gz KMQCSIMPKFDNFM-QGZVFWFLSA-N 0 3 284.359 2.072 10 0 CEAEHN CN[C@H](CCOc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000062542653 522461144 /nfs/dbraw/zinc/46/11/44/522461144.db2.gz JCBDQNSIDCYJDR-MRXNPFEDSA-N 0 3 284.359 2.196 10 0 CEAEHN CN[C@H](Cc1cc(F)cc(F)c1)c1nccn1C ZINC000069473643 522473601 /nfs/dbraw/zinc/47/36/01/522473601.db2.gz BJYKSTOCBJYRPI-GFCCVEGCSA-N 0 3 251.280 2.202 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1CCCCO1 ZINC000050961625 522482232 /nfs/dbraw/zinc/48/22/32/522482232.db2.gz OAQDEJYYJKIYQY-GOEBONIOSA-N 0 3 274.364 2.035 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCCC2)[C@H]1COCCO1 ZINC000055299251 522483022 /nfs/dbraw/zinc/48/30/22/522483022.db2.gz FNFNBYJBUZXFPI-HZPDHXFCSA-N 0 3 261.365 2.241 10 0 CEAEHN CC[C@H](N[C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000069142859 522750156 /nfs/dbraw/zinc/75/01/56/522750156.db2.gz DGLJJPDNOZUNOM-KBPBESRZSA-N 0 3 285.384 2.444 10 0 CEAEHN CC[C@H](Oc1ccc(Cl)cc1[C@@H](C)NC)C(N)=O ZINC000061676044 522872405 /nfs/dbraw/zinc/87/24/05/522872405.db2.gz KXHVPZJAFKIAMZ-KCJUWKMLSA-N 0 3 270.760 2.263 10 0 CEAEHN COCCCN(CCOC)Cc1ccc(CNC(C)C)o1 ZINC000052543239 523256329 /nfs/dbraw/zinc/25/63/29/523256329.db2.gz YAYBQGBEMQYVAC-UHFFFAOYSA-N 0 3 298.427 2.263 10 0 CEAEHN CC[C@H]1CSC(NCc2ccc3c(c2)OCO3)=N1 ZINC000061675017 523354835 /nfs/dbraw/zinc/35/48/35/523354835.db2.gz NDYREAVYEZDOKF-JTQLQIEISA-N 0 3 264.350 2.386 10 0 CEAEHN CN(c1nc(C2CC2)c(CN)s1)C1CCOCC1 ZINC000069179945 523663170 /nfs/dbraw/zinc/66/31/70/523663170.db2.gz DNYUOUOSGGCJKM-UHFFFAOYSA-N 0 3 267.398 2.094 10 0 CEAEHN CN(c1nc2c(s1)[C@H](O)CCC2)C1CCN(C)CC1 ZINC000054910218 523667482 /nfs/dbraw/zinc/66/74/82/523667482.db2.gz OGXIQGLSEDLCEP-GFCCVEGCSA-N 0 3 281.425 2.043 10 0 CEAEHN CCn1nccc1[C@H](N)c1ccc2ncccc2c1 ZINC000069472682 523746105 /nfs/dbraw/zinc/74/61/05/523746105.db2.gz XGVFYZQTAZFXIU-OAHLLOKOSA-N 0 3 252.321 2.499 10 0 CEAEHN COCCN(c1c(CNC(C)(C)C)c(C)nn1C)C1CC1 ZINC000062737374 523782995 /nfs/dbraw/zinc/78/29/95/523782995.db2.gz QSXFQVBPQLJISR-UHFFFAOYSA-N 0 3 294.443 2.232 10 0 CEAEHN COCCN(c1nc2c(s1)[C@@H](N)CCC2)C1CC1 ZINC000054897548 523784788 /nfs/dbraw/zinc/78/47/88/523784788.db2.gz BRAYVEUZLWHDJU-JTQLQIEISA-N 0 3 267.398 2.094 10 0 CEAEHN CN(C(=O)CNC1CCCC1)c1ccccc1F ZINC000050008824 523826266 /nfs/dbraw/zinc/82/62/66/523826266.db2.gz CMLGAXLZHFBWBB-UHFFFAOYSA-N 0 3 250.317 2.321 10 0 CEAEHN CC[C@H](C)N1C(=O)C[C@H](N[C@@H](C)Cc2ccsc2)C1=O ZINC000049163126 523946913 /nfs/dbraw/zinc/94/69/13/523946913.db2.gz JQRWGTOJABLCOW-GVXVVHGQSA-N 0 3 294.420 2.195 10 0 CEAEHN COCCNCc1ccc(OCCOC(C)C)c(OC)c1 ZINC000062731982 523953271 /nfs/dbraw/zinc/95/32/71/523953271.db2.gz LOGDICDJUSLEDC-UHFFFAOYSA-N 0 3 297.395 2.235 10 0 CEAEHN CC[C@H](C)NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000049559586 524003883 /nfs/dbraw/zinc/00/38/83/524003883.db2.gz HJHFEYAHAVFIIA-VIFPVBQESA-N 0 3 267.398 2.349 10 0 CEAEHN CNC(=O)CCCOc1ccc(C)cc1[C@@H](C)NC ZINC000068816472 524065296 /nfs/dbraw/zinc/06/52/96/524065296.db2.gz JKXSDJHZZIUPOB-GFCCVEGCSA-N 0 3 264.369 2.180 10 0 CEAEHN COc1ccc(CNC(C)(C)C)c(O[C@@H]2CCOC2=O)c1 ZINC000062733133 524069021 /nfs/dbraw/zinc/06/90/21/524069021.db2.gz XSZKMTSPDXAXHL-CYBMUJFWSA-N 0 3 293.363 2.278 10 0 CEAEHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)on1 ZINC000052852923 524124489 /nfs/dbraw/zinc/12/44/89/524124489.db2.gz AQNSKRLCJWQINU-ZDUSSCGKSA-N 0 3 273.336 2.016 10 0 CEAEHN C[C@H]1CCCN1c1ncc(Br)cc1CN ZINC000051396093 524125393 /nfs/dbraw/zinc/12/53/93/524125393.db2.gz KDFUMKVVGAQUSK-QMMMGPOBSA-N 0 3 270.174 2.292 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@H](NC1CC1)C(=O)[O-] ZINC000062522666 524130802 /nfs/dbraw/zinc/13/08/02/524130802.db2.gz SFZGFPQQPHZODJ-XBFCOCLRSA-N 0 3 268.401 2.092 10 0 CEAEHN C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@H](NC1CC1)C(=O)[O-] ZINC000062522666 524130810 /nfs/dbraw/zinc/13/08/10/524130810.db2.gz SFZGFPQQPHZODJ-XBFCOCLRSA-N 0 3 268.401 2.092 10 0 CEAEHN Cc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1[O-] ZINC000049560328 524211074 /nfs/dbraw/zinc/21/10/74/524211074.db2.gz ZXCDYJQLYUTVHC-CYBMUJFWSA-N 0 3 278.396 2.407 10 0 CEAEHN COc1ccc(Cl)cc1NC(=O)c1cc[nH]c(=NN)c1 ZINC000051092172 524241904 /nfs/dbraw/zinc/24/19/04/524241904.db2.gz LORRQSYVEVTVBI-UHFFFAOYSA-N 0 3 292.726 2.282 10 0 CEAEHN Cc1cccc(C)c1-n1nnnc1CNCC(C)C ZINC000054744579 524246066 /nfs/dbraw/zinc/24/60/66/524246066.db2.gz YOUHNCYBOGKRMF-UHFFFAOYSA-N 0 3 259.357 2.025 10 0 CEAEHN C[C@@H]1CCCN(c2nc3sccn3c2CN)[C@@H]1C ZINC000050566069 524250389 /nfs/dbraw/zinc/25/03/89/524250389.db2.gz IPSKHDUYTJUGEJ-NXEZZACHSA-N 0 3 264.398 2.479 10 0 CEAEHN C[C@H](CN1CCCC1)NC(=O)c1ccc(Cl)cc1N ZINC000049149112 524315575 /nfs/dbraw/zinc/31/55/75/524315575.db2.gz TULHUCIFLKNNLJ-SNVBAGLBSA-N 0 3 281.787 2.136 10 0 CEAEHN Cc1cccc(N)c1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000049500444 524527823 /nfs/dbraw/zinc/52/78/23/524527823.db2.gz SOIPGRXAUMWTRU-ZDUSSCGKSA-N 0 3 275.396 2.181 10 0 CEAEHN Cc1ccc(CNC(=O)c2c[nH]c(=NN)c(Cl)c2)cc1 ZINC000051112665 524566742 /nfs/dbraw/zinc/56/67/42/524566742.db2.gz OVBQFRZYFNIUSE-UHFFFAOYSA-N 0 3 290.754 2.259 10 0 CEAEHN Cc1cccc(NC(=O)CN[C@@H](CC(C)C)CN(C)C)c1 ZINC000049556012 524597395 /nfs/dbraw/zinc/59/73/95/524597395.db2.gz RDOXIEGCGWBVJZ-INIZCTEOSA-N 0 3 291.439 2.499 10 0 CEAEHN COc1ccccc1O[C@H](C)C[C@@](C)(NC(C)C)C(N)=O ZINC000068656620 524692051 /nfs/dbraw/zinc/69/20/51/524692051.db2.gz ACVYOLACYONBGH-MLGOLLRUSA-N 0 3 294.395 2.095 10 0 CEAEHN Cc1cc(CN2CCN(C)CC2)oc1CNC(C)(C)C ZINC000052379650 524694022 /nfs/dbraw/zinc/69/40/22/524694022.db2.gz YUXXXJNEGYFYER-UHFFFAOYSA-N 0 3 279.428 2.224 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc(Cl)cn1C1CC1 ZINC000069133446 524696364 /nfs/dbraw/zinc/69/63/64/524696364.db2.gz AHFDNDUGMFJDPB-UWVGGRQHSA-N 0 3 281.787 2.299 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc2c(s1)CCC2 ZINC000069133374 524697570 /nfs/dbraw/zinc/69/75/70/524697570.db2.gz LIVLCDYQBRBDLQ-UWVGGRQHSA-N 0 3 264.394 2.059 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)CCCc1cccs1 ZINC000069133042 524697655 /nfs/dbraw/zinc/69/76/55/524697655.db2.gz LHALWQDNDSMSEB-RYUDHWBXSA-N 0 3 266.410 2.280 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccccc1Cl ZINC000069132838 524699626 /nfs/dbraw/zinc/69/96/26/524699626.db2.gz QERIZNRIJNKLFR-UWVGGRQHSA-N 0 3 252.745 2.162 10 0 CEAEHN C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)[C@@H](C)CN1 ZINC000062656413 524756431 /nfs/dbraw/zinc/75/64/31/524756431.db2.gz MQZIKUHXLIUSFJ-OLZOCXBDSA-N 0 3 260.381 2.173 10 0 CEAEHN Cc1ccc(F)cc1[N-]S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630852 524870484 /nfs/dbraw/zinc/87/04/84/524870484.db2.gz CIGZVQDYWZKIEE-LBPRGKRZSA-N 0 3 286.372 2.018 10 0 CEAEHN COc1nc2sccn2c1CN[C@H](CN(C)C)C(C)C ZINC000049198469 524992373 /nfs/dbraw/zinc/99/23/73/524992373.db2.gz MGOZJSBZBLYVFP-LLVKDONJSA-N 0 3 296.440 2.080 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2cccc3cccnc32)C[C@H](C)O1 ZINC000069502188 525055657 /nfs/dbraw/zinc/05/56/57/525055657.db2.gz PQMICXSTELCUNF-ZENOOKHLSA-N 0 3 285.391 2.344 10 0 CEAEHN C[C@@H]1CN(c2cc(Cl)ccc2CN)C[C@@H](C)O1 ZINC000062786722 525062148 /nfs/dbraw/zinc/06/21/48/525062148.db2.gz PMLDYQZNMUPUTR-NXEZZACHSA-N 0 3 254.761 2.412 10 0 CEAEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cccc(OC(F)F)c1 ZINC000069133107 525097601 /nfs/dbraw/zinc/09/76/01/525097601.db2.gz FDVBUDFVLORKKT-NXEZZACHSA-N 0 3 284.306 2.110 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1ccccc1Br ZINC000069132595 525101451 /nfs/dbraw/zinc/10/14/51/525101451.db2.gz QIVHCDGOUQKJSN-AOOOYVTPSA-N 0 3 297.196 2.272 10 0 CEAEHN Cc1ccccc1CN(C)Cc1cccnc1CN ZINC000061656585 525128405 /nfs/dbraw/zinc/12/84/05/525128405.db2.gz YRNFBGGSBMLTDO-UHFFFAOYSA-N 0 3 255.365 2.481 10 0 CEAEHN Cc1cc(NC(=O)[C@H]2NCCC[C@H]2C)ccc1F ZINC000061120318 525238333 /nfs/dbraw/zinc/23/83/33/525238333.db2.gz RACNWKOYTHWSEX-RNCFNFMXSA-N 0 3 250.317 2.461 10 0 CEAEHN C[C@@H](NCC(=O)Nc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000183093526 525410763 /nfs/dbraw/zinc/41/07/63/525410763.db2.gz ZSLTYKDPWCDRIL-RNCFNFMXSA-N 0 3 284.306 2.060 10 0 CEAEHN CSCCCNCC(=O)Nc1ccc(C)cc1 ZINC000069447136 525476976 /nfs/dbraw/zinc/47/69/76/525476976.db2.gz MJXDYXIWHVKIKM-UHFFFAOYSA-N 0 3 252.383 2.276 10 0 CEAEHN CSCCCNCC(=O)Nc1c(F)cccc1F ZINC000069447084 525477748 /nfs/dbraw/zinc/47/77/48/525477748.db2.gz LRWXLSUXZHXLPW-UHFFFAOYSA-N 0 3 274.336 2.246 10 0 CEAEHN C[C@H](NS(=O)(=O)c1ccccc1CN)C1CCCCC1 ZINC000052341341 525511692 /nfs/dbraw/zinc/51/16/92/525511692.db2.gz SCVCCCRMVDVCEM-LBPRGKRZSA-N 0 3 296.436 2.392 10 0 CEAEHN Cc1cc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000050545818 525536163 /nfs/dbraw/zinc/53/61/63/525536163.db2.gz LBKLBLKGKJCTPE-ZOWXZIJZSA-N 0 3 266.360 2.243 10 0 CEAEHN C[C@H](N[C@@H]1CN2CCC1CC2)c1nc2ccccc2[nH]1 ZINC000054376177 525585012 /nfs/dbraw/zinc/58/50/12/525585012.db2.gz SRLGYJISLVQNON-XHDPSFHLSA-N 0 3 270.380 2.308 10 0 CEAEHN C[C@@]1(c2ccccc2)CN(Cc2cccnc2)CCN1 ZINC000068693701 525900945 /nfs/dbraw/zinc/90/09/45/525900945.db2.gz NDPNCWBFRTYAJY-KRWDZBQOSA-N 0 3 267.376 2.402 10 0 CEAEHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](CN2CCOCC2)CC1 ZINC000255188805 534905832 /nfs/dbraw/zinc/90/58/32/534905832.db2.gz LTNDIFQDFIATFF-HDJSIYSDSA-N 0 3 298.427 2.402 10 0 CEAEHN C[C@H](C1CC1)N(C)Cc1nc(NN)ccc1Cl ZINC000061630958 526204765 /nfs/dbraw/zinc/20/47/65/526204765.db2.gz QCERDAOQDDHQJA-MRVPVSSYSA-N 0 3 254.765 2.251 10 0 CEAEHN Cc1nn([C@@H](CN)c2ccco2)c(C)c1Br ZINC000050589160 526303020 /nfs/dbraw/zinc/30/30/20/526303020.db2.gz QCFXQKQJVQELAZ-VIFPVBQESA-N 0 3 284.157 2.404 10 0 CEAEHN O[C@H]1CCCC[C@H]1NCc1cc2c(c(Cl)c1)OCO2 ZINC000051995510 526305667 /nfs/dbraw/zinc/30/56/67/526305667.db2.gz LVGDKFAUSALCRD-NEPJUHHUSA-N 0 3 283.755 2.462 10 0 CEAEHN c1cc(CNC2CC2)c(CN2CCO[C@H]3CCC[C@@H]32)o1 ZINC000052540175 526426354 /nfs/dbraw/zinc/42/63/54/526426354.db2.gz UUTXUWDVRYCAQC-GJZGRUSLSA-N 0 3 276.380 2.285 10 0 CEAEHN c1cc2c(s1)CCc1sc(N3CCNCC3)nc1-2 ZINC000061326137 526446452 /nfs/dbraw/zinc/44/64/52/526446452.db2.gz NHYVGQKABYSHJM-UHFFFAOYSA-N 0 3 277.418 2.380 10 0 CEAEHN Cc1oc(CN2CCOC[C@@H]2C)cc1CNC(C)C ZINC000052475809 526771197 /nfs/dbraw/zinc/77/11/97/526771197.db2.gz SWAPBIFGBOJVAO-LBPRGKRZSA-N 0 3 266.385 2.307 10 0 CEAEHN Cc1oc(CN2CCOCC2(C)C)cc1CNC1CC1 ZINC000052546089 526771691 /nfs/dbraw/zinc/77/16/91/526771691.db2.gz DGHQMKDLJZHKNI-UHFFFAOYSA-N 0 3 278.396 2.451 10 0 CEAEHN Cc1oc(CN)cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573146 526771818 /nfs/dbraw/zinc/77/18/18/526771818.db2.gz RIKGMLUKQSUFQN-GJZGRUSLSA-N 0 3 264.369 2.190 10 0 CEAEHN N=C(N)c1cc(COCCc2cccs2)ccn1 ZINC000068762677 526819898 /nfs/dbraw/zinc/81/98/98/526819898.db2.gz WDCTUFGNZPTDGG-UHFFFAOYSA-N 0 3 261.350 2.186 10 0 CEAEHN N=C(N)c1cc(N2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000061814359 526820976 /nfs/dbraw/zinc/82/09/76/526820976.db2.gz WWGRDACNCFZZQC-CYBMUJFWSA-N 0 3 266.348 2.360 10 0 CEAEHN N=C(N)c1cc(N2CCCc3ccccc32)ccn1 ZINC000061814028 526821107 /nfs/dbraw/zinc/82/11/07/526821107.db2.gz HDRDPGMTYDHNLB-UHFFFAOYSA-N 0 3 252.321 2.450 10 0 CEAEHN Cc1nc(CN[C@H](Cn2ccnc2)C(C)(C)C)c[nH]1 ZINC000054822218 526894177 /nfs/dbraw/zinc/89/41/77/526894177.db2.gz DNGDORMZBNEXAI-CYBMUJFWSA-N 0 3 261.373 2.119 10 0 CEAEHN Cc1ncc(CN[C@H](Cn2ccnc2)C(C)(C)C)[nH]1 ZINC000054822218 526894179 /nfs/dbraw/zinc/89/41/79/526894179.db2.gz DNGDORMZBNEXAI-CYBMUJFWSA-N 0 3 261.373 2.119 10 0 CEAEHN Cc1nc(C[C@@H]2CCCO2)nc(C)c1CNC(C)C ZINC000054854304 526919350 /nfs/dbraw/zinc/91/93/50/526919350.db2.gz FBNJRKUNLQWAQE-ZDUSSCGKSA-N 0 3 263.385 2.313 10 0 CEAEHN NC(=O)[C@@H](CCSc1ccc(Cl)cc1)NC1CC1 ZINC000062597845 526953366 /nfs/dbraw/zinc/95/33/66/526953366.db2.gz MTNCDUVGETYDHQ-GFCCVEGCSA-N 0 3 284.812 2.428 10 0 CEAEHN Cc1nc(N2CCN(c3ccccc3)CC2)sc1CN ZINC000054995981 526968326 /nfs/dbraw/zinc/96/83/26/526968326.db2.gz GFCOZRVGMAQYKI-UHFFFAOYSA-N 0 3 288.420 2.237 10 0 CEAEHN O=S(=O)(C[C@@H]1CCCCN1)Nc1ccc2c(c1)CCC2 ZINC000049630724 527181893 /nfs/dbraw/zinc/18/18/93/527181893.db2.gz ZKACFCHEUQETCE-HNNXBMFYSA-N 0 3 294.420 2.059 10 0 CEAEHN [NH3+]CCc1ccc(C(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC000070330169 527196864 /nfs/dbraw/zinc/19/68/64/527196864.db2.gz YDBUMKIHOSNDOZ-UHFFFAOYSA-N 0 3 274.295 2.285 10 0 CEAEHN NC[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000050911857 527203286 /nfs/dbraw/zinc/20/32/86/527203286.db2.gz WMHYBAQIFXLWEX-QGZVFWFLSA-N 0 3 280.371 2.346 10 0 CEAEHN NC[C@@H](c1cccc(F)c1)N(CCO)Cc1ccccc1 ZINC000050514013 527207579 /nfs/dbraw/zinc/20/75/79/527207579.db2.gz JLENHAJFZHKPCQ-KRWDZBQOSA-N 0 3 288.366 2.320 10 0 CEAEHN NCc1cc(CN2CCCc3ccccc3C2)ccn1 ZINC000068750556 527247438 /nfs/dbraw/zinc/24/74/38/527247438.db2.gz JBNZUWGWZPVALU-UHFFFAOYSA-N 0 3 267.376 2.489 10 0 CEAEHN NCc1cc(CN(CC(F)(F)F)C2CC2)ccn1 ZINC000068750307 527247447 /nfs/dbraw/zinc/24/74/47/527247447.db2.gz AFUILDFAYXBLSO-UHFFFAOYSA-N 0 3 259.275 2.067 10 0 CEAEHN NCc1cc(COc2cc(F)cc(F)c2)ccn1 ZINC000068751914 527247473 /nfs/dbraw/zinc/24/74/73/527247473.db2.gz MULLOCUXYPAQGW-UHFFFAOYSA-N 0 3 250.248 2.398 10 0 CEAEHN NCc1ccc(F)cc1CN1C(=O)c2ccccc2C1=O ZINC000069401909 527254707 /nfs/dbraw/zinc/25/47/07/527254707.db2.gz QBWDVAYNWRNBAX-UHFFFAOYSA-N 0 3 284.290 2.081 10 0 CEAEHN N[C@@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000061702607 527341570 /nfs/dbraw/zinc/34/15/70/527341570.db2.gz CYPZWKGDOHMZSH-OLZOCXBDSA-N 0 3 253.367 2.120 10 0 CEAEHN N[C@H]1COc2cc(OCC(=O)Nc3ccccc3)ccc21 ZINC000062803953 527417324 /nfs/dbraw/zinc/41/73/24/527417324.db2.gz GYENLTXCTFKVMS-AWEZNQCLSA-N 0 3 284.315 2.096 10 0 CEAEHN Nc1ccccc1CCN1CCO[C@H]2CCCC[C@@H]21 ZINC000052918683 527525280 /nfs/dbraw/zinc/52/52/80/527525280.db2.gz BVJOWBJCGHYEND-HOTGVXAUSA-N 0 3 260.381 2.455 10 0 CEAEHN OCCC[C@H]1CCCN1Cc1cn2ccccc2n1 ZINC000052761824 527546030 /nfs/dbraw/zinc/54/60/30/527546030.db2.gz HFOOATMEUPJMBK-CQSZACIVSA-N 0 3 259.353 2.071 10 0 CEAEHN Cn1nccc1[C@H](N)c1ccc(Br)cc1 ZINC000069020278 527628274 /nfs/dbraw/zinc/62/82/74/527628274.db2.gz JXMXFTGCVZYSKL-LLVKDONJSA-N 0 3 266.142 2.231 10 0 CEAEHN O[C@@H]1CCC[C@@H]1CNCc1cncc(Br)c1 ZINC000160585268 527671382 /nfs/dbraw/zinc/67/13/82/527671382.db2.gz INEDANAIOJFMHM-ZYHUDNBSSA-N 0 3 285.185 2.095 10 0 CEAEHN CCc1cc(C(=O)N2CC[C@H](N)c3ccccc32)n(C)n1 ZINC000090125039 536114326 /nfs/dbraw/zinc/11/43/26/536114326.db2.gz COZLLJVSATZZQB-ZDUSSCGKSA-N 0 3 284.363 2.033 10 0 CEAEHN Oc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1F ZINC000891415871 623612793 /nfs/dbraw/zinc/61/27/93/623612793.db2.gz TYVMQAJZCCZRRN-ZDUSSCGKSA-N 0 3 290.342 2.035 10 0 CEAEHN O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000312309550 628226671 /nfs/dbraw/zinc/22/66/71/628226671.db2.gz YXVGAJDMKBAHTE-HLPPOEQASA-N 0 3 270.376 2.036 10 0 CEAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cc(C)no1 ZINC000094434279 628714796 /nfs/dbraw/zinc/71/47/96/628714796.db2.gz PDECIHNETMOXCZ-UONOGXRCSA-N 0 3 263.385 2.432 10 0 CEAEHN Cc1nnsc1CN1CCCCC[C@@H]1C[C@@H](C)O ZINC000385275835 642169475 /nfs/dbraw/zinc/16/94/75/642169475.db2.gz HXBVWGLIXMZCHB-ZYHUDNBSSA-N 0 3 269.414 2.362 10 0 CEAEHN COCc1nc(Cc2ccc(OC)cc2)sc1CN ZINC000082445245 178021984 /nfs/dbraw/zinc/02/19/84/178021984.db2.gz BYRAHFIODKZHCM-UHFFFAOYSA-N 0 3 278.377 2.348 10 0 CEAEHN COCc1nc(N2CCCC[C@@H]2C)sc1CN ZINC000082447180 178025620 /nfs/dbraw/zinc/02/56/20/178025620.db2.gz BWGOVUCBXGBLFX-VIFPVBQESA-N 0 3 255.387 2.127 10 0 CEAEHN CCOCCN1CCN(CCc2ccccc2F)C[C@@H]1C ZINC000121375509 365559948 /nfs/dbraw/zinc/55/99/48/365559948.db2.gz BHIQXOJRQRHMJX-HNNXBMFYSA-N 0 3 294.414 2.411 10 0 CEAEHN CN(C)Cc1cc2c(nccc2Br)[nH]1 ZINC000095937173 185034123 /nfs/dbraw/zinc/03/41/23/185034123.db2.gz GVFBLPZMOQGYSP-UHFFFAOYSA-N 0 3 254.131 2.387 10 0 CEAEHN Cc1ccc(NC(=O)C2(N)CCOCC2)c(Cl)c1 ZINC000127733054 187329145 /nfs/dbraw/zinc/32/91/45/187329145.db2.gz MQVXGGPSEHDDRO-UHFFFAOYSA-N 0 3 268.744 2.095 10 0 CEAEHN Cc1nc2c(Br)cccn2c1[C@@H](C)N ZINC000082695430 178191310 /nfs/dbraw/zinc/19/13/10/178191310.db2.gz JJUKBYHEYGURFO-ZCFIWIBFSA-N 0 3 254.131 2.425 10 0 CEAEHN O=[S@](CCNC1CC1)c1ccccc1Br ZINC000082747345 178268929 /nfs/dbraw/zinc/26/89/29/178268929.db2.gz LQTNIVPZRSRDDU-HNNXBMFYSA-N 0 3 288.210 2.309 10 0 CEAEHN CCC[C@@H](O)CN(CCCOC)Cc1ccco1 ZINC000036096459 361828078 /nfs/dbraw/zinc/82/80/78/361828078.db2.gz YBMVEGQZBIYUJA-CYBMUJFWSA-N 0 3 255.358 2.279 10 0 CEAEHN CN(C)Cc1ccc(C(=O)N[C@H]2CCCCC[C@H]2O)cc1 ZINC000135957599 282147266 /nfs/dbraw/zinc/14/72/66/282147266.db2.gz BDNBHPUAXLTFBL-JKSUJKDBSA-N 0 3 290.407 2.172 10 0 CEAEHN Cc1ccc2c(c1Br)[C@@]1(C[C@H]1N)CN2 ZINC000725247464 539192580 /nfs/dbraw/zinc/19/25/80/539192580.db2.gz NJSSIKHLCONILP-KCJUWKMLSA-N 0 3 253.143 2.152 10 0 CEAEHN N[C@H]1C[C@@]12CNc1ccc(Br)c(Cl)c12 ZINC000725247693 539192706 /nfs/dbraw/zinc/19/27/06/539192706.db2.gz UVCTXCZXPHUPRR-OIBJUYFYSA-N 0 3 273.561 2.497 10 0 CEAEHN Cc1nccnc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000621726103 349680449 /nfs/dbraw/zinc/68/04/49/349680449.db2.gz JYQVZAZDDNECIZ-IMJJTQAJSA-N 0 3 275.396 2.301 10 0 CEAEHN Cc1nc(CC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c(C)s1 ZINC000126091672 187215732 /nfs/dbraw/zinc/21/57/32/187215732.db2.gz UJJOLZHSVIKEBP-HZMBPMFUSA-N 0 3 295.452 2.147 10 0 CEAEHN COc1cc(CN2C[C@@H]3CCCCN3C[C@H]2C)sn1 ZINC000399076674 539263706 /nfs/dbraw/zinc/26/37/06/539263706.db2.gz VBONQKMMJDAPAH-NEPJUHHUSA-N 0 3 281.425 2.210 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@H]2CCCO2)c1C ZINC000045167761 362158147 /nfs/dbraw/zinc/15/81/47/362158147.db2.gz DUWWGBIPJDWSBO-ZWNOBZJWSA-N 0 3 251.374 2.349 10 0 CEAEHN N[C@H](CCO)c1c(F)cc(Br)cc1F ZINC000044235605 362150408 /nfs/dbraw/zinc/15/04/08/362150408.db2.gz SLLWSLBNEUJEGC-MRVPVSSYSA-N 0 3 266.085 2.110 10 0 CEAEHN CN(C)c1ccccc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000173362663 529794673 /nfs/dbraw/zinc/79/46/73/529794673.db2.gz PVGCJCIALSLSJY-HNNXBMFYSA-N 0 3 299.422 2.256 10 0 CEAEHN CN1CCC(N2CC(C)(C)c3ccc(N)cc32)CC1 ZINC000113847475 344278110 /nfs/dbraw/zinc/27/81/10/344278110.db2.gz GQHSFLKTABHEJU-UHFFFAOYSA-N 0 3 259.397 2.461 10 0 CEAEHN CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H](CC(C)C)CN(C)C)C1(C)C ZINC000129849333 344347534 /nfs/dbraw/zinc/34/75/34/344347534.db2.gz FJRCZOWGJBMFOF-SOUVJXGZSA-N 0 3 296.455 2.330 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@]2(C1)NCCS2 ZINC000159131539 344453806 /nfs/dbraw/zinc/45/38/06/344453806.db2.gz PVNUDORCFQVTML-LBPRGKRZSA-N 0 3 258.387 2.050 10 0 CEAEHN OC1(CN[C@@H]2CCSc3c(F)cccc32)CCOCC1 ZINC000162590820 344468141 /nfs/dbraw/zinc/46/81/41/344468141.db2.gz BUMOREMNKUDJKX-CYBMUJFWSA-N 0 3 297.395 2.494 10 0 CEAEHN CNCc1cc(Br)cnc1NC1CC1 ZINC000166347480 344476087 /nfs/dbraw/zinc/47/60/87/344476087.db2.gz BZWYCJLVHMQRBW-UHFFFAOYSA-N 0 3 256.147 2.138 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)NCCC2=CCCCC2)C1 ZINC000170861334 344492119 /nfs/dbraw/zinc/49/21/19/344492119.db2.gz FJZCLYSDBOBHIP-AWEZNQCLSA-N 0 3 265.401 2.222 10 0 CEAEHN C[C@H](N[C@@H]1CCCNC1=O)c1cccc(Br)c1 ZINC000050394411 362418187 /nfs/dbraw/zinc/41/81/87/362418187.db2.gz RJJDWDDCGXCURX-JOYOIKCWSA-N 0 3 297.196 2.378 10 0 CEAEHN CN[C@H](C)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000309838136 344729844 /nfs/dbraw/zinc/72/98/44/344729844.db2.gz VARBWRNCYWDZBR-CQSZACIVSA-N 0 3 298.386 2.490 10 0 CEAEHN N[C@@H](C[C@@H]1CCOC1)c1ccc(Br)o1 ZINC000306591808 344715281 /nfs/dbraw/zinc/71/52/81/344715281.db2.gz VUSOKYSSVQNKEI-YUMQZZPRSA-N 0 3 260.131 2.469 10 0 CEAEHN Cn1ncc([C@@H](N)C2CCCC2)c1Br ZINC000306805766 344717408 /nfs/dbraw/zinc/71/74/08/344717408.db2.gz IFGKGEICQYMGDO-VIFPVBQESA-N 0 3 258.163 2.373 10 0 CEAEHN Cc1cccc(CN2CCO[C@H](CN(C)C)C2)c1C ZINC000128235906 187359328 /nfs/dbraw/zinc/35/93/28/187359328.db2.gz LRIVIFFURCJYGX-MRXNPFEDSA-N 0 3 262.397 2.066 10 0 CEAEHN Fc1ccc(CN2CC[C@H]3OCCN[C@H]3C2)c(Cl)c1 ZINC000404288774 344879573 /nfs/dbraw/zinc/87/95/73/344879573.db2.gz ZBRXOPMTBANROM-UONOGXRCSA-N 0 3 284.762 2.042 10 0 CEAEHN Clc1cc(Br)cc(NC2=NCCN2)c1 ZINC000306313027 539440125 /nfs/dbraw/zinc/44/01/25/539440125.db2.gz XBRXRRASXIWLJC-UHFFFAOYSA-N 0 3 274.549 2.474 10 0 CEAEHN CCc1ccccc1CN1CCC[C@@H](NC2CC2)C1=O ZINC000084208663 178826092 /nfs/dbraw/zinc/82/60/92/178826092.db2.gz UWVMVTNWTFSAGI-MRXNPFEDSA-N 0 3 272.392 2.492 10 0 CEAEHN CCN[C@H](c1ccnn1C)[C@H]1OCCc2ccccc21 ZINC000097187208 185557219 /nfs/dbraw/zinc/55/72/19/185557219.db2.gz UIJUIJCFYCJNNX-CVEARBPZSA-N 0 3 271.364 2.385 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)N(C)CCC(C)C)C1 ZINC000057869643 362598120 /nfs/dbraw/zinc/59/81/20/362598120.db2.gz TYICCHSXESMYGK-CYBMUJFWSA-N 0 3 255.406 2.158 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000155440127 232233199 /nfs/dbraw/zinc/23/31/99/232233199.db2.gz YPTJWHDBPDEHCN-JSGCOSHPSA-N 0 3 276.380 2.159 10 0 CEAEHN Cc1ccc([O-])c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155440127 232233201 /nfs/dbraw/zinc/23/32/01/232233201.db2.gz YPTJWHDBPDEHCN-JSGCOSHPSA-N 0 3 276.380 2.159 10 0 CEAEHN Cn1ncnc1C[C@@H](N)c1cc2cc(F)ccc2s1 ZINC000097275157 185576050 /nfs/dbraw/zinc/57/60/50/185576050.db2.gz HUNCRAOEGZIKFX-SNVBAGLBSA-N 0 3 276.340 2.411 10 0 CEAEHN CC[C@](C)([C@@H](Cc1cc(Cl)ccc1OC)NN)N(C)C ZINC000097583110 185631168 /nfs/dbraw/zinc/63/11/68/185631168.db2.gz QLAQGQXAYQBYAR-HUUCEWRRSA-N 0 3 299.846 2.453 10 0 CEAEHN CC(C)(C)c1ccccc1OC[C@@H](CO)NC1CC1 ZINC000085283293 179000845 /nfs/dbraw/zinc/00/08/45/179000845.db2.gz RWJIPPIFGHNTHI-CYBMUJFWSA-N 0 3 263.381 2.476 10 0 CEAEHN CCNCc1ccnc(N2CCSC[C@H]2C)c1F ZINC000097878953 136523097 /nfs/dbraw/zinc/52/30/97/136523097.db2.gz JCCXMZVPDGJXEG-SNVBAGLBSA-N 0 3 269.389 2.272 10 0 CEAEHN Cc1cccc(OC[C@](O)(CN)c2ccccc2)c1 ZINC000085307032 179012439 /nfs/dbraw/zinc/01/24/39/179012439.db2.gz UPSICFKAWOJUMT-MRXNPFEDSA-N 0 3 257.333 2.220 10 0 CEAEHN CC(=O)NCCN[C@H](C)c1cnc2ccsc2c1 ZINC000085433269 179060519 /nfs/dbraw/zinc/06/05/19/179060519.db2.gz UQJJWEAZLFLVNI-SECBINFHSA-N 0 3 263.366 2.083 10 0 CEAEHN CCC[C@H]1CN[C@H](c2ccccc2)CN1CCOC ZINC000085505996 179084173 /nfs/dbraw/zinc/08/41/73/179084173.db2.gz ASBJMDMDNXXWOQ-HOTGVXAUSA-N 0 3 262.397 2.448 10 0 CEAEHN C[C@@H]1CN[C@@](C)(c2ccccc2)CN1CC(F)F ZINC000085531600 179091413 /nfs/dbraw/zinc/09/14/13/179091413.db2.gz CHUHRFTYHJMDLN-BXUZGUMPSA-N 0 3 254.324 2.461 10 0 CEAEHN Cc1cnc(CN[C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000085676366 179112504 /nfs/dbraw/zinc/11/25/04/179112504.db2.gz QDRIBUOMGSCHMF-IHRRRGAJSA-N 0 3 261.369 2.078 10 0 CEAEHN C[C@H](N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1nnc2ccccn21 ZINC000085632540 179108620 /nfs/dbraw/zinc/10/86/20/179108620.db2.gz JCOJKUOQHWRQAU-IMIFBBOLSA-N 0 3 286.379 2.193 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NC[C@](C)(O)C2CC2)c1C ZINC000336817435 365861982 /nfs/dbraw/zinc/86/19/82/365861982.db2.gz QIDKLMYFTFEHPF-BMIGLBTASA-N 0 3 265.401 2.331 10 0 CEAEHN [NH3+]Cc1ccccc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000085810615 179177949 /nfs/dbraw/zinc/17/79/49/179177949.db2.gz MKLPFMGMUSZJIA-UHFFFAOYSA-N 0 3 294.351 2.226 10 0 CEAEHN NCc1ccccc1NS(=O)(=O)Cc1ccc(F)cc1 ZINC000085810615 179177950 /nfs/dbraw/zinc/17/79/50/179177950.db2.gz MKLPFMGMUSZJIA-UHFFFAOYSA-N 0 3 294.351 2.226 10 0 CEAEHN CN[C@@H](CCO)C[S@@](=O)c1cc(Cl)ccc1Cl ZINC000085926724 179202330 /nfs/dbraw/zinc/20/23/30/179202330.db2.gz CVXQWVONMAGLJP-XYZCENFISA-N 0 3 296.219 2.071 10 0 CEAEHN Cc1cccc(NC(=O)CNC[C@H]2CCCC[C@H]2O)c1 ZINC000085985795 179211398 /nfs/dbraw/zinc/21/13/98/179211398.db2.gz GBAQPAKQUTXXCE-UKRRQHHQSA-N 0 3 276.380 2.074 10 0 CEAEHN C[C@H]1CN(c2ncc(Br)cc2CN)C[C@@H]1C ZINC000086012402 179214382 /nfs/dbraw/zinc/21/43/82/179214382.db2.gz SAOQCLKGZJFOCF-IUCAKERBSA-N 0 3 284.201 2.395 10 0 CEAEHN C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)[C@@H](CN)c1ccccc1 ZINC000086073940 179225162 /nfs/dbraw/zinc/22/51/62/179225162.db2.gz VHEUFQAMLORGDK-NEBZKDRISA-N 0 3 260.381 2.280 10 0 CEAEHN CN[C@@H](c1cc(C)sc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000086020626 179218226 /nfs/dbraw/zinc/21/82/26/179218226.db2.gz VQKSHAPJVRXGKB-ZYHUDNBSSA-N 0 3 273.423 2.060 10 0 CEAEHN CC(C)[C@H](CO)NCc1ccc(Br)o1 ZINC000086121814 179235927 /nfs/dbraw/zinc/23/59/27/179235927.db2.gz BFQMNDMOTDMRPN-VIFPVBQESA-N 0 3 262.147 2.149 10 0 CEAEHN CC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(CN)c2)[C@@H]1C ZINC000086091583 179228859 /nfs/dbraw/zinc/22/88/59/179228859.db2.gz OYNPTOYOMCRTSJ-OSAQELSMSA-N 0 3 296.436 2.248 10 0 CEAEHN Oc1ccc([C@H]2CN[C@@H](c3ccc(O)cc3)CN2)cc1 ZINC000065734883 362845174 /nfs/dbraw/zinc/84/51/74/362845174.db2.gz FPPBMXVCCCEYJD-HZPDHXFCSA-N 0 3 270.332 2.073 10 0 in-vitro CEAEHN c1csc(CCN2CCNC[C@H]2c2ccccc2)n1 ZINC000086177821 179246195 /nfs/dbraw/zinc/24/61/95/179246195.db2.gz AKJFDDAJHRMPBB-AWEZNQCLSA-N 0 3 273.405 2.332 10 0 CEAEHN CCOC[C@@H](C)N1C[C@H](c2ccccc2)NC[C@@H]1C ZINC000086259681 179259386 /nfs/dbraw/zinc/25/93/86/179259386.db2.gz MJDKQMAHXIRHNO-SQWLQELKSA-N 0 3 262.397 2.446 10 0 CEAEHN C[C@@H]1CN[C@@H](c2ccccc2)CN1[C@@H]1CCCOC1 ZINC000086265143 179260873 /nfs/dbraw/zinc/26/08/73/179260873.db2.gz JHLLOCYGLFVGCH-FVQBIDKESA-N 0 3 260.381 2.200 10 0 CEAEHN NC[C@H](NC[C@@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333403 179273562 /nfs/dbraw/zinc/27/35/62/179273562.db2.gz UZFXKVKLAPBXAK-UWVGGRQHSA-N 0 3 260.790 2.170 10 0 CEAEHN CC[C@@H]1COCCN1c1nc2c(s1)CCC[C@@H]2NC ZINC000086442944 179293544 /nfs/dbraw/zinc/29/35/44/179293544.db2.gz CFMWZACKPMTCKR-MNOVXSKESA-N 0 3 281.425 2.355 10 0 CEAEHN COCCN(c1nc2c(s1)CCC[C@@H]2N)C1CC1 ZINC000086443591 179293581 /nfs/dbraw/zinc/29/35/81/179293581.db2.gz LGMMFCJSFKZTQQ-JTQLQIEISA-N 0 3 267.398 2.094 10 0 CEAEHN CN[C@H]1CCCc2sc(N3CCN(C(C)C)CC3)nc21 ZINC000086442770 179293928 /nfs/dbraw/zinc/29/39/28/179293928.db2.gz BJALVFKMDZPDCQ-LBPRGKRZSA-N 0 3 294.468 2.270 10 0 CEAEHN CC1(C)CN(c2nc3c(s2)CCC[C@@H]3N)CCO1 ZINC000086442912 179294074 /nfs/dbraw/zinc/29/40/74/179294074.db2.gz UUTJHBRCPIUWST-VIFPVBQESA-N 0 3 267.398 2.094 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3c[nH]nc3c2)[C@H](CC)CN1 ZINC000086446233 179294633 /nfs/dbraw/zinc/29/46/33/179294633.db2.gz HWQYHDKLKAWDJJ-ZIAGYGMSSA-N 0 3 286.379 2.166 10 0 CEAEHN CC[C@H]1CN(C(=O)c2ccc3c[nH]nc3c2)[C@@H](CC)CN1 ZINC000086446240 179294661 /nfs/dbraw/zinc/29/46/61/179294661.db2.gz HWQYHDKLKAWDJJ-KBPBESRZSA-N 0 3 286.379 2.166 10 0 CEAEHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cc(C)ccc1O ZINC000086446330 179294935 /nfs/dbraw/zinc/29/49/35/179294935.db2.gz REXIUUBYSZLCQL-QWHCGFSZSA-N 0 3 276.380 2.303 10 0 CEAEHN CC[C@@H]1CN(C(=O)CCc2ccco2)[C@H](CC)CN1 ZINC000086447325 179295474 /nfs/dbraw/zinc/29/54/74/179295474.db2.gz HVLLWMJFWPWADI-CHWSQXEVSA-N 0 3 264.369 2.201 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)[C@H](CC)CN1 ZINC000086447441 179295659 /nfs/dbraw/zinc/29/56/59/179295659.db2.gz KRULSTGKVMBQQJ-HUUCEWRRSA-N 0 3 288.391 2.224 10 0 CEAEHN CC[C@@H]1CN(C(=O)Cc2ccccc2F)[C@H](CC)CN1 ZINC000086447313 179295681 /nfs/dbraw/zinc/29/56/81/179295681.db2.gz ZZASFTGTWDLAEK-ZIAGYGMSSA-N 0 3 278.371 2.357 10 0 CEAEHN CC[C@@H]1CN(C(=O)c2cccs2)[C@@H](CC)CN1 ZINC000086447946 179295750 /nfs/dbraw/zinc/29/57/50/179295750.db2.gz APLVDYDQISEKAS-MNOVXSKESA-N 0 3 252.383 2.351 10 0 CEAEHN CCC1(C(=O)[N-]OCc2ccccc2)CC[NH2+]CC1 ZINC000086437215 179292804 /nfs/dbraw/zinc/29/28/04/179292804.db2.gz LVXXOXSQXXPROM-UHFFFAOYSA-N 0 3 262.353 2.014 10 0 CEAEHN CN[C@H]1CCCc2sc(C[C@H]3CCCO3)nc21 ZINC000086439080 179293128 /nfs/dbraw/zinc/29/31/28/179293128.db2.gz RJTUFSSWSQBNRF-ZJUUUORDSA-N 0 3 252.383 2.461 10 0 CEAEHN N[C@H](Cc1ccccc1)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000086567203 179307800 /nfs/dbraw/zinc/30/78/00/179307800.db2.gz TXDPBCMXCOIZQO-HUUCEWRRSA-N 0 3 287.384 2.128 10 0 CEAEHN COc1ccc([C@@H](CN)N2CCC(OC)CC2)cc1Cl ZINC000086586456 179310315 /nfs/dbraw/zinc/31/03/15/179310315.db2.gz GEMGPYHJMSBSHS-CQSZACIVSA-N 0 3 298.814 2.459 10 0 CEAEHN C[C@H](N[C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000086669413 179317379 /nfs/dbraw/zinc/31/73/79/179317379.db2.gz PPQMQVSLLNWMKZ-UBHSHLNASA-N 0 3 267.394 2.303 10 0 CEAEHN COC[C@H](N[C@@H]1COc2cc(O)ccc21)C(C)C ZINC000086682583 179320151 /nfs/dbraw/zinc/32/01/51/179320151.db2.gz FRCCVFQOYZAUBA-QWHCGFSZSA-N 0 3 251.326 2.086 10 0 CEAEHN C[C@H]1CCCC[C@H]1N(C)Cc1c[nH]c(=NN)s1 ZINC000086767658 179325891 /nfs/dbraw/zinc/32/58/91/179325891.db2.gz ZOPMOSPCLDOQAO-GXSJLCMTSA-N 0 3 254.403 2.439 10 0 CEAEHN CN1CCC[C@@](CO)(Nc2ccccc2F)CC1 ZINC000086834330 179350622 /nfs/dbraw/zinc/35/06/22/179350622.db2.gz CKVXBBOWOSAKCH-CQSZACIVSA-N 0 3 252.333 2.084 10 0 CEAEHN CCCN1CCC[C@](NC2CCCC2)(C(=O)OC)CC1 ZINC000086850377 179357789 /nfs/dbraw/zinc/35/77/89/179357789.db2.gz JTQRGLPCXKMJRE-MRXNPFEDSA-N 0 3 282.428 2.326 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC000128734466 187387209 /nfs/dbraw/zinc/38/72/09/187387209.db2.gz JTDJXWJUVRDIOW-CYBMUJFWSA-N 0 3 290.411 2.234 10 0 CEAEHN CCS(=O)(=O)CCC[C@H]1NCc2ccccc21 ZINC000086981511 179372979 /nfs/dbraw/zinc/37/29/79/179372979.db2.gz ZCSVQCHFXQMRCO-CYBMUJFWSA-N 0 3 253.367 2.046 10 0 CEAEHN CCS(=O)(=O)CCC[C@@H](N)c1ccc(F)cc1F ZINC000086979531 179373132 /nfs/dbraw/zinc/37/31/32/179373132.db2.gz FWZJSVCTPKMWDF-GFCCVEGCSA-N 0 3 277.336 2.180 10 0 CEAEHN CCCNCc1ccccc1OCCCS(=O)(=O)CC ZINC000086972717 179371226 /nfs/dbraw/zinc/37/12/26/179371226.db2.gz WRIDQCXUQIHZRK-UHFFFAOYSA-N 0 3 299.436 2.390 10 0 CEAEHN Nc1ncc(Cl)cc1[C@@H](N)[C@H]1CSCCS1 ZINC000086983845 179373907 /nfs/dbraw/zinc/37/39/07/179373907.db2.gz DLYIBLNJKWHZTL-RKDXNWHRSA-N 0 3 275.830 2.166 10 0 CEAEHN CCC(O)(CC)CN[C@H](C)c1c(C)nn(C)c1C ZINC000087014580 179379696 /nfs/dbraw/zinc/37/96/96/179379696.db2.gz NKHRYPOSPOGLMO-SNVBAGLBSA-N 0 3 253.390 2.239 10 0 CEAEHN CCC(O)(CC)CN[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000087028316 179381726 /nfs/dbraw/zinc/38/17/26/179381726.db2.gz FNHODEGHBWOJPC-ZDUSSCGKSA-N 0 3 278.396 2.463 10 0 CEAEHN O=C(CNCC1(O)CCCC1)Nc1ccccc1Cl ZINC000087028885 179382428 /nfs/dbraw/zinc/38/24/28/179382428.db2.gz FUMMQRBNWWLMBQ-UHFFFAOYSA-N 0 3 282.771 2.173 10 0 CEAEHN CC[C@@H]1CNC[C@@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000087090256 179394258 /nfs/dbraw/zinc/39/42/58/179394258.db2.gz NHBVIMIBBPBOFD-RISCZKNCSA-N 0 3 281.352 2.152 10 0 CEAEHN CC[C@@H]1CNC[C@H](c2ccc(OC)c(OC)c2)O1 ZINC000087090246 179394302 /nfs/dbraw/zinc/39/43/02/179394302.db2.gz WXRFZCDNLFVAEM-BXUZGUMPSA-N 0 3 251.326 2.143 10 0 CEAEHN CC1(C)CCC(O)(CNC[C@@H](O)c2ccco2)CC1 ZINC000087063588 179389978 /nfs/dbraw/zinc/38/99/78/179389978.db2.gz IYUHCGZGJIVYJW-GFCCVEGCSA-N 0 3 267.369 2.234 10 0 CEAEHN O=C(CNCC1(O)CCCCCC1)Nc1ccccc1 ZINC000087089410 179393552 /nfs/dbraw/zinc/39/35/52/179393552.db2.gz YUZDZLUOLUCULC-UHFFFAOYSA-N 0 3 276.380 2.300 10 0 CEAEHN C[C@H]1CCC[C@@](N)(C(=O)NCC2(O)CCCCCC2)C1 ZINC000087089881 179393769 /nfs/dbraw/zinc/39/37/69/179393769.db2.gz ZUACLUATXFYIKD-BBRMVZONSA-N 0 3 282.428 2.096 10 0 CEAEHN NCc1cc2ccccc2n(CC[C@H]2CCCO2)c1=O ZINC000087277405 179407359 /nfs/dbraw/zinc/40/73/59/179407359.db2.gz NLKVFSMYHFUPPP-CQSZACIVSA-N 0 3 272.348 2.029 10 0 CEAEHN CCN[C@H](CC(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000087549671 179444411 /nfs/dbraw/zinc/44/44/11/179444411.db2.gz CPBYMBGICGGDRQ-SNVBAGLBSA-N 0 3 260.259 2.231 10 0 CEAEHN CO[C@@H]1CCCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616628468 348540565 /nfs/dbraw/zinc/54/05/65/348540565.db2.gz LPLMGYVXCAFSQG-GFCCVEGCSA-N 0 3 272.389 2.012 10 0 CEAEHN CC(C)(C)N1CCN[C@@H](c2cnnc3ccccc32)C1 ZINC000616631869 348541521 /nfs/dbraw/zinc/54/15/21/348541521.db2.gz HSMKVYRSNQOGFI-OAHLLOKOSA-N 0 3 270.380 2.375 10 0 CEAEHN Nc1ccccc1[C@H]1CNCCN1Cc1ccccc1 ZINC000616637862 348542860 /nfs/dbraw/zinc/54/28/60/348542860.db2.gz ZQAZCNGYRZQTQE-QGZVFWFLSA-N 0 3 267.376 2.415 10 0 CEAEHN CCOC(=O)c1ccc([C@@H]2CNCCN2C(C)C)cc1 ZINC000616637937 348542982 /nfs/dbraw/zinc/54/29/82/348542982.db2.gz SEMNLBNOLADEBG-HNNXBMFYSA-N 0 3 276.380 2.218 10 0 CEAEHN CC(C)N1CCCO[C@H](c2cccc(CCO)c2)C1 ZINC000616649409 348547123 /nfs/dbraw/zinc/54/71/23/348547123.db2.gz IKERQEQRJWEOKF-INIZCTEOSA-N 0 3 263.381 2.393 10 0 CEAEHN CCN1CCCOC[C@@H]1c1ccc2nnccc2c1 ZINC000616598566 348530476 /nfs/dbraw/zinc/53/04/76/348530476.db2.gz DXERDNWCTFCYCO-OAHLLOKOSA-N 0 3 257.337 2.413 10 0 CEAEHN CCN1CCCO[C@@H](c2ccccc2NC(C)=O)C1 ZINC000616598636 348530521 /nfs/dbraw/zinc/53/05/21/348530521.db2.gz OJPOFCGVFZIBOG-OAHLLOKOSA-N 0 3 262.353 2.428 10 0 CEAEHN OCCc1ccccc1[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000616602474 348531106 /nfs/dbraw/zinc/53/11/06/348531106.db2.gz KVEMJMPTQPKJRY-IBGZPJMESA-N 0 3 296.414 2.368 10 0 CEAEHN OCc1ccccc1[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000616604781 348531804 /nfs/dbraw/zinc/53/18/04/348531804.db2.gz ZYBKPLPUZDHKLJ-SFHVURJKSA-N 0 3 282.387 2.325 10 0 CEAEHN CCOC(=O)c1ccccc1[C@@H]1CCCCN(CCO)C1 ZINC000616605835 348532972 /nfs/dbraw/zinc/53/29/72/348532972.db2.gz WLAFCDVQYJJLTC-CQSZACIVSA-N 0 3 291.391 2.425 10 0 CEAEHN CCCN[C@H](Cc1ncnn1C)c1cc(F)ccc1F ZINC000088582240 179629420 /nfs/dbraw/zinc/62/94/20/179629420.db2.gz VGKCATPHMBDDDJ-CYBMUJFWSA-N 0 3 280.322 2.377 10 0 CEAEHN CCCNCCS(=O)(=O)N1CCCCc2ccccc21 ZINC000089049756 179693334 /nfs/dbraw/zinc/69/33/34/179693334.db2.gz WPUSCTOHQHFMJM-UHFFFAOYSA-N 0 3 296.436 2.159 10 0 CEAEHN CNCc1cccc(OC)c1OCc1cc(C)nn1C ZINC000089181379 179745284 /nfs/dbraw/zinc/74/52/84/179745284.db2.gz MODHIOMSEWDJLH-UHFFFAOYSA-N 0 3 275.352 2.036 10 0 CEAEHN Cc1ccc(C)c(OCCN2C[C@@H](C)C[C@H](O)C2)c1 ZINC000401707930 233185464 /nfs/dbraw/zinc/18/54/64/233185464.db2.gz RPYSWVAHMXAILO-ZFWWWQNUSA-N 0 3 263.381 2.385 10 0 CEAEHN CCCn1c2ccc(C)cc2nc1[C@@]1(C)COC[C@H]1N ZINC000090571699 180007221 /nfs/dbraw/zinc/00/72/21/180007221.db2.gz LPGHYFYKFHVKAO-ZBFHGGJFSA-N 0 3 273.380 2.370 10 0 CEAEHN CC(C)(C)n1c2ccccc2nc1[C@@]1(C)COC[C@H]1N ZINC000090571674 180007611 /nfs/dbraw/zinc/00/76/11/180007611.db2.gz QDSYTZKJJUIBQN-CJNGLKHVSA-N 0 3 273.380 2.407 10 0 CEAEHN C[C@]1(c2nc3ccc(F)cc3n2C2CC2)COC[C@@H]1N ZINC000090571864 180007624 /nfs/dbraw/zinc/00/76/24/180007624.db2.gz MQFSCXQKVHNZPB-ZFWWWQNUSA-N 0 3 275.327 2.126 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)COC[C@H]1N ZINC000090580570 180008444 /nfs/dbraw/zinc/00/84/44/180008444.db2.gz IGHGYOCLQOOOMQ-ZYHUDNBSSA-N 0 3 288.269 2.008 10 0 CEAEHN CC(C)c1cccc(NC(=O)[C@@]2(C)COC[C@@H]2N)c1 ZINC000090582354 180008565 /nfs/dbraw/zinc/00/85/65/180008565.db2.gz HDJMXRFUKTYWNQ-ZFWWWQNUSA-N 0 3 262.353 2.112 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc3sccc3c2)COC[C@H]1N ZINC000090586462 180009208 /nfs/dbraw/zinc/00/92/08/180009208.db2.gz YTXIYCMVIRAXCW-OCCSQVGLSA-N 0 3 276.361 2.204 10 0 CEAEHN C[C@@]1(C(=O)Nc2ccc3ccccc3c2)COC[C@@H]1N ZINC000090585800 180009334 /nfs/dbraw/zinc/00/93/34/180009334.db2.gz FAGHZMHRZGHYHB-GOEBONIOSA-N 0 3 270.332 2.142 10 0 CEAEHN C[C@]1(C(=O)Nc2ccc3sccc3c2)COC[C@@H]1N ZINC000090586460 180009434 /nfs/dbraw/zinc/00/94/34/180009434.db2.gz YTXIYCMVIRAXCW-JSGCOSHPSA-N 0 3 276.361 2.204 10 0 CEAEHN CCCNCc1ccc(O[C@H](C)C(F)(F)F)nn1 ZINC000090675423 180022610 /nfs/dbraw/zinc/02/26/10/180022610.db2.gz CSTKDENEKVBRSU-MRVPVSSYSA-N 0 3 263.263 2.306 10 0 CEAEHN CCCOc1cc(Nc2ccccc2CN)ncn1 ZINC000090785701 180040038 /nfs/dbraw/zinc/04/00/38/180040038.db2.gz MSQKKKNAISYPLF-UHFFFAOYSA-N 0 3 258.325 2.468 10 0 CEAEHN C[C@H](CN[C@@H](C)c1ccc2c(c1)OCCCO2)[S@](C)=O ZINC000090841660 180043318 /nfs/dbraw/zinc/04/33/18/180043318.db2.gz JKMAWJVUGZMOBU-XAAFQQQXSA-N 0 3 297.420 2.266 10 0 CEAEHN C[C@H](CN[C@@H](C)c1ccc(F)c(F)c1)[S@](C)=O ZINC000090841302 180043757 /nfs/dbraw/zinc/04/37/57/180043757.db2.gz YXJJOJXZFFXTBE-KSRUKNBBSA-N 0 3 261.337 2.382 10 0 CEAEHN CC(=O)[C@@H]1CCCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000090874988 180050612 /nfs/dbraw/zinc/05/06/12/180050612.db2.gz OOQXZBOPFMPTFW-CABCVRRESA-N 0 3 259.349 2.291 10 0 CEAEHN CCN[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1OC ZINC000090906085 180061241 /nfs/dbraw/zinc/06/12/41/180061241.db2.gz QTJCOQAFDICVGS-LZWOXQAQSA-N 0 3 290.407 2.209 10 0 CEAEHN CC(C)NCc1cnc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000090908107 180061599 /nfs/dbraw/zinc/06/15/99/180061599.db2.gz GHORDEGCDHFGQE-PHIMTYICSA-N 0 3 267.398 2.009 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2csc([C@@H](C)N)n2)CC1 ZINC000090958533 180074519 /nfs/dbraw/zinc/07/45/19/180074519.db2.gz BRXJHBDWVLYALA-VXGBXAGGSA-N 0 3 282.457 2.079 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2csc([C@H](C)N)n2)CC1 ZINC000090958535 180075210 /nfs/dbraw/zinc/07/52/10/180075210.db2.gz BRXJHBDWVLYALA-NEPJUHHUSA-N 0 3 282.457 2.079 10 0 CEAEHN CCOC[C@@H](C)NCc1sccc1NC(C)=O ZINC000090960518 180075313 /nfs/dbraw/zinc/07/53/13/180075313.db2.gz ALVFWNJABCWREM-SECBINFHSA-N 0 3 256.371 2.221 10 0 CEAEHN CCc1cc(Cn2cccc2CNCCOC)n(CC)n1 ZINC000091002226 180083950 /nfs/dbraw/zinc/08/39/50/180083950.db2.gz IRIDLTQUIGJPHQ-UHFFFAOYSA-N 0 3 290.411 2.051 10 0 CEAEHN CCCn1cccc1CN[C@H](CC(C)C)C(=O)NC ZINC000091025283 180089286 /nfs/dbraw/zinc/08/92/86/180089286.db2.gz RZMZRDLLBWLOPC-CQSZACIVSA-N 0 3 265.401 2.148 10 0 CEAEHN CCc1c(CNCCOC)cnn1-c1ccc(OC)cc1 ZINC000091338779 180136318 /nfs/dbraw/zinc/13/63/18/180136318.db2.gz SOYUHYYHHJNAFZ-UHFFFAOYSA-N 0 3 289.379 2.179 10 0 CEAEHN COc1ccc(OC)c([C@@H](N)CSC[C@H](C)CO)c1 ZINC000091261624 180116018 /nfs/dbraw/zinc/11/60/18/180116018.db2.gz URUVTHDCQMBBPH-MFKMUULPSA-N 0 3 285.409 2.065 10 0 CEAEHN CCCN(CCC)[C@@H](CN)c1cncn1C1CC1 ZINC000091276188 180119238 /nfs/dbraw/zinc/11/92/38/180119238.db2.gz UVEBAUNTBZMDAL-ZDUSSCGKSA-N 0 3 250.390 2.340 10 0 CEAEHN Cc1cc([C@H](C)NC(=O)C[C@@H]2CSCCN2)c(C)o1 ZINC000091290657 180121633 /nfs/dbraw/zinc/12/16/33/180121633.db2.gz XWJXRHGHUBGAED-CMPLNLGQSA-N 0 3 282.409 2.169 10 0 CEAEHN O=C(C[C@H]1CSCCN1)Nc1cc(F)cc(F)c1F ZINC000091291129 180122664 /nfs/dbraw/zinc/12/26/64/180122664.db2.gz CQLHEFJKICJINV-QMMMGPOBSA-N 0 3 290.310 2.138 10 0 CEAEHN CCCc1nc(N2CCC[C@@H](N(C)C)C2)sc1C=O ZINC000091433260 180154320 /nfs/dbraw/zinc/15/43/20/180154320.db2.gz CAGFLWJDERYMKI-LLVKDONJSA-N 0 3 281.425 2.439 10 0 CEAEHN CC(C)(C)NCc1cncc(OCC2CCOCC2)n1 ZINC000091435162 180154639 /nfs/dbraw/zinc/15/46/39/180154639.db2.gz XVMGQDJVUARJPK-UHFFFAOYSA-N 0 3 279.384 2.170 10 0 CEAEHN CC1(C)C(C(=O)N[C@@H](CN)c2ccccc2)C1(C)C ZINC000091494701 180171532 /nfs/dbraw/zinc/17/15/32/180171532.db2.gz DMDDFFNCPUZPQZ-LBPRGKRZSA-N 0 3 260.381 2.485 10 0 CEAEHN CN(C)[C@@H]1CCCN(CC(=O)c2ccc3c(c2)CCC3)C1 ZINC000091394271 180146682 /nfs/dbraw/zinc/14/66/82/180146682.db2.gz VWPIOGCUPLLJHH-QGZVFWFLSA-N 0 3 286.419 2.384 10 0 CEAEHN c1ncc(CNC2CCN(Cc3ccccc3)CC2)o1 ZINC000091409059 180148275 /nfs/dbraw/zinc/14/82/75/180148275.db2.gz UARJSTFRQOUNGQ-UHFFFAOYSA-N 0 3 271.364 2.429 10 0 CEAEHN CN(Cc1ccc(Cl)s1)c1cncc(CN)n1 ZINC000091419962 180150788 /nfs/dbraw/zinc/15/07/88/180150788.db2.gz KRFDEJKAIJKMCV-UHFFFAOYSA-N 0 3 268.773 2.287 10 0 CEAEHN CC(C)(C)NCc1cncc(-n2nnc3ccccc32)n1 ZINC000091422390 180151191 /nfs/dbraw/zinc/15/11/91/180151191.db2.gz CIPXIAFMOJXPSX-UHFFFAOYSA-N 0 3 282.351 2.099 10 0 CEAEHN CCCNCc1cncc(-n2nc(C)c(Cl)c2C)n1 ZINC000091422262 180151322 /nfs/dbraw/zinc/15/13/22/180151322.db2.gz TXNOIPMEPVUZIJ-UHFFFAOYSA-N 0 3 279.775 2.432 10 0 CEAEHN CC(C)([C@H](N)c1cc(F)ccc1F)N1CCOCC1 ZINC000091566060 180193950 /nfs/dbraw/zinc/19/39/50/180193950.db2.gz DQMLAYIYLLTCKO-CYBMUJFWSA-N 0 3 270.323 2.075 10 0 CEAEHN CC[C@@](C)(C(=O)Cc1cccnc1N)N1CCCC1 ZINC000091602127 180203491 /nfs/dbraw/zinc/20/34/91/180203491.db2.gz UEGXTBPHXFNOPN-HNNXBMFYSA-N 0 3 261.369 2.040 10 0 CEAEHN CCCn1ccnc1[C@@H](NC)[C@](C)(CC)N1CCOCC1 ZINC000091612660 180206940 /nfs/dbraw/zinc/20/69/40/180206940.db2.gz MWPNYWNQCQKSRQ-ZBFHGGJFSA-N 0 3 294.443 2.055 10 0 CEAEHN CC[C@](C)([C@@H](N)c1cccs1)N1CCOCC1 ZINC000091612184 180206970 /nfs/dbraw/zinc/20/69/70/180206970.db2.gz TUNOHQVMVMJZHB-QWHCGFSZSA-N 0 3 254.399 2.249 10 0 CEAEHN CCN[C@H](c1nccn1C)C(CC)(CC)N(C)C ZINC000091614730 180207786 /nfs/dbraw/zinc/20/77/86/180207786.db2.gz XUIQVJLMTAGHMQ-GFCCVEGCSA-N 0 3 252.406 2.191 10 0 CEAEHN CCN(CC)C1(C(=O)Cc2cnn(C)c2)CCCC1 ZINC000091638594 180212679 /nfs/dbraw/zinc/21/26/79/180212679.db2.gz MBOLRXKOTVFRJY-UHFFFAOYSA-N 0 3 263.385 2.186 10 0 CEAEHN CC1CCC(C(=O)Cc2ccnc(N)c2)(N(C)C)CC1 ZINC000091648194 180215753 /nfs/dbraw/zinc/21/57/53/180215753.db2.gz FWEOUJLMTGHUMP-UHFFFAOYSA-N 0 3 275.396 2.286 10 0 CEAEHN Cc1ccc(F)cc1[C@H](O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091715614 180232843 /nfs/dbraw/zinc/23/28/43/180232843.db2.gz ZTXCVMBMJCZXHF-SNPRPXQTSA-N 0 3 265.328 2.031 10 0 CEAEHN CCN[C@H](c1ccccc1OCC)[C@H]1CN(C)CCO1 ZINC000091718793 180233579 /nfs/dbraw/zinc/23/35/79/180233579.db2.gz ULLXLEIVKSPFTN-HZPDHXFCSA-N 0 3 278.396 2.067 10 0 CEAEHN CCN[C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000091718318 180233711 /nfs/dbraw/zinc/23/37/11/180233711.db2.gz XCIBQDMMNGMJPG-IRXDYDNUSA-N 0 3 292.423 2.455 10 0 CEAEHN CCCN[C@H](c1ccc(C)s1)[C@H]1CN(C)CCO1 ZINC000091719545 180234231 /nfs/dbraw/zinc/23/42/31/180234231.db2.gz NOTWGSGRWBRFSV-OCCSQVGLSA-N 0 3 268.426 2.428 10 0 CEAEHN C[C@H](N[C@@H]1CCOC[C@@H]1O)c1ccccc1OC(F)F ZINC000624235367 350239172 /nfs/dbraw/zinc/23/91/72/350239172.db2.gz JEKUVBWIWVQAFQ-WCQGTBRESA-N 0 3 287.306 2.088 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1cc2ccccc2o1 ZINC000624235987 350239302 /nfs/dbraw/zinc/23/93/02/350239302.db2.gz ULNPZQUUFSVRNS-DRZSPHRISA-N 0 3 261.321 2.233 10 0 CEAEHN C[C@H](N[C@H]1CCOC[C@@H]1O)c1cccc(Cl)c1 ZINC000624235624 350239747 /nfs/dbraw/zinc/23/97/47/350239747.db2.gz NHEVPWXRSYXEHK-XDTLVQLUSA-N 0 3 255.745 2.140 10 0 CEAEHN C[C@@H](N)c1cccn1CC(=O)NC1CCCCCC1 ZINC000091800104 180259220 /nfs/dbraw/zinc/25/92/20/180259220.db2.gz SHJYIZZHTLAQQW-GFCCVEGCSA-N 0 3 263.385 2.347 10 0 CEAEHN CCN[C@H](c1cc(F)cc(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721827 180240340 /nfs/dbraw/zinc/24/03/40/180240340.db2.gz SEKOYYFFPQGRLC-BZUAXINKSA-N 0 3 296.361 2.479 10 0 CEAEHN CCN[C@H](c1cccc(F)c1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721819 180240481 /nfs/dbraw/zinc/24/04/81/180240481.db2.gz PSMAXVSIPCBOCD-BZUAXINKSA-N 0 3 278.371 2.340 10 0 CEAEHN CN(Cc1ccccn1)C1CCC2(CC1)OCCO2 ZINC000091853584 180273904 /nfs/dbraw/zinc/27/39/04/180273904.db2.gz ACRNGRHUYVONFV-UHFFFAOYSA-N 0 3 262.353 2.199 10 0 CEAEHN C[C@H](NCC1(O)CCOCC1)c1ccc(F)c(F)c1 ZINC000091957539 180292105 /nfs/dbraw/zinc/29/21/05/180292105.db2.gz OMOOASCWPVFPEL-JTQLQIEISA-N 0 3 271.307 2.157 10 0 CEAEHN CC1CCN(C(=O)N(C)c2cccc(CN)c2)CC1 ZINC000091972751 180296231 /nfs/dbraw/zinc/29/62/31/180296231.db2.gz RXTWBGSJDSDQTB-UHFFFAOYSA-N 0 3 261.369 2.433 10 0 CEAEHN CNCc1nc(C)ccc1O[C@H]1CCC[C@@H](OC)C1 ZINC000091994354 180301170 /nfs/dbraw/zinc/30/11/70/180301170.db2.gz RSJUEKHUHGDOPJ-OLZOCXBDSA-N 0 3 264.369 2.446 10 0 CEAEHN CNCc1nc(C)ccc1OCc1csc(C)n1 ZINC000091994580 180301407 /nfs/dbraw/zinc/30/14/07/180301407.db2.gz FPCZYVGIBOJAMF-UHFFFAOYSA-N 0 3 263.366 2.453 10 0 CEAEHN Cc1ccc(O[C@H]2CCOC2)c(CNC(C)C)n1 ZINC000091995393 180301821 /nfs/dbraw/zinc/30/18/21/180301821.db2.gz BGMAIHUJIQPHEQ-LBPRGKRZSA-N 0 3 250.342 2.056 10 0 CEAEHN Cc1ccc(O[C@@H]2CCOC2)c(CNC(C)(C)C)n1 ZINC000091996012 180302121 /nfs/dbraw/zinc/30/21/21/180302121.db2.gz YJJQHHVBZOHXFS-GFCCVEGCSA-N 0 3 264.369 2.446 10 0 CEAEHN Cc1nc(Cl)c(C)c(N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000092023772 180308889 /nfs/dbraw/zinc/30/88/89/180308889.db2.gz PUKPCVZNQJCOTI-NEPJUHHUSA-N 0 3 280.803 2.420 10 0 CEAEHN COC(C)(C)c1noc(C[C@@H](N)c2ccccc2)n1 ZINC000092137920 180333898 /nfs/dbraw/zinc/33/38/98/180333898.db2.gz KZNSOGFRBHIYAU-LLVKDONJSA-N 0 3 261.325 2.194 10 0 CEAEHN COc1ccc(CN2C[C@H](C)[C@H](C)C2)cc1C(N)=S ZINC000092085520 180320245 /nfs/dbraw/zinc/32/02/45/180320245.db2.gz PBDLQWYZANHHKY-PHIMTYICSA-N 0 3 278.421 2.417 10 0 CEAEHN CCNCc1cnn(C[C@@H]2COc3ccccc32)c1 ZINC000092306696 180360053 /nfs/dbraw/zinc/36/00/53/180360053.db2.gz DGOQFFHKXLBECP-CYBMUJFWSA-N 0 3 257.337 2.169 10 0 CEAEHN COCCNCc1cccn1C[C@H]1COc2ccccc21 ZINC000092304845 180360402 /nfs/dbraw/zinc/36/04/02/180360402.db2.gz JNGBOYWDISAUOF-AWEZNQCLSA-N 0 3 286.375 2.400 10 0 CEAEHN Cn1nccc1CNC[C@@H]1Cc2ccccc2S1 ZINC000092244277 180352398 /nfs/dbraw/zinc/35/23/98/180352398.db2.gz ADJJEXNMYAXWRE-ZDUSSCGKSA-N 0 3 259.378 2.227 10 0 CEAEHN CNCc1ccnn1C[C@@H]1Cc2ccccc2S1 ZINC000092271914 180356710 /nfs/dbraw/zinc/35/67/10/180356710.db2.gz QBCJTJITSXYQPZ-ZDUSSCGKSA-N 0 3 259.378 2.320 10 0 CEAEHN Cc1cnc(CNC[C@@H]2COc3ccccc32)cn1 ZINC000092300812 180358397 /nfs/dbraw/zinc/35/83/97/180358397.db2.gz XGYFXXLGWNGJHI-GFCCVEGCSA-N 0 3 255.321 2.051 10 0 CEAEHN OC[C@@H](NC[C@H]1COc2ccccc21)c1ccccc1 ZINC000092300915 180358949 /nfs/dbraw/zinc/35/89/49/180358949.db2.gz RAZYEQAKCCRDDC-GOEBONIOSA-N 0 3 269.344 2.486 10 0 CEAEHN Fc1cccc(CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105883327 186083254 /nfs/dbraw/zinc/08/32/54/186083254.db2.gz ARUJPCJFXNVJHH-AWEZNQCLSA-N 0 3 274.343 2.329 10 0 CEAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC000105850364 186079001 /nfs/dbraw/zinc/07/90/01/186079001.db2.gz KXUOCSMUKKNGAF-AWEZNQCLSA-N 0 3 292.427 2.041 10 0 CEAEHN Cc1cnn(CCNCc2cc(F)c(F)c(F)c2)c1 ZINC000105908399 186086896 /nfs/dbraw/zinc/08/68/96/186086896.db2.gz VDPQYRVPUDVYSS-UHFFFAOYSA-N 0 3 269.270 2.399 10 0 CEAEHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCc3ncnn3C2)o1 ZINC000105906408 186087849 /nfs/dbraw/zinc/08/78/49/186087849.db2.gz UHSOPKMTLJJKOL-WZRBSPASSA-N 0 3 272.352 2.099 10 0 CEAEHN CCOC(=O)[C@H](C)CN[C@@H](C)c1c(C)noc1C ZINC000092332356 180364365 /nfs/dbraw/zinc/36/43/65/180364365.db2.gz YMIXREMMBCTCFL-BDAKNGLRSA-N 0 3 254.330 2.141 10 0 CEAEHN Cc1nn(C)c(C)c1CNC[C@H]1Cc2cc(F)ccc2O1 ZINC000092330991 180364494 /nfs/dbraw/zinc/36/44/94/180364494.db2.gz REERDTYQIFCXPK-CQSZACIVSA-N 0 3 289.354 2.269 10 0 CEAEHN CC(C)[C@@H]1CO[C@H](c2ccc3c(c2)OCCO3)CN1 ZINC000092403375 180378214 /nfs/dbraw/zinc/37/82/14/180378214.db2.gz VSERRWYEDJBIOB-WFASDCNBSA-N 0 3 263.337 2.143 10 0 CEAEHN CC[C@H](C)NC(=O)CCNC1=N[C@@H](C(C)C)CS1 ZINC000092402523 180378384 /nfs/dbraw/zinc/37/83/84/180378384.db2.gz FECPZVYFKDWHTD-WDEREUQCSA-N 0 3 271.430 2.008 10 0 CEAEHN CCCNc1ccnc(CN2CCCC[C@@H]2C(=O)NC)c1 ZINC000092418601 180381104 /nfs/dbraw/zinc/38/11/04/180381104.db2.gz BRVGNFCOGRNCQR-OAHLLOKOSA-N 0 3 290.411 2.004 10 0 CEAEHN Cc1cccc(COc2ccc3c(c2)OC[C@H]3N)n1 ZINC000092427680 180383590 /nfs/dbraw/zinc/38/35/90/180383590.db2.gz XIYPZRLCZQYQRE-CQSZACIVSA-N 0 3 256.305 2.361 10 0 CEAEHN COc1ccc2c(c1)[C@H](N)[C@@H](n1ccc(C)n1)CC2 ZINC000092386195 180374153 /nfs/dbraw/zinc/37/41/53/180374153.db2.gz TZPLNODCHMZFLF-GJZGRUSLSA-N 0 3 257.337 2.387 10 0 CEAEHN COc1ccc(OC)c(CN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000107927139 186198063 /nfs/dbraw/zinc/19/80/63/186198063.db2.gz QNYWWJAEPGHOPF-PBWFPOADSA-N 0 3 277.364 2.192 10 0 CEAEHN CCc1ccc(-c2noc(C[C@@H](COC)NC)n2)cc1 ZINC000109505955 186257345 /nfs/dbraw/zinc/25/73/45/186257345.db2.gz JXRJGRUMGRZBDA-ZDUSSCGKSA-N 0 3 275.352 2.076 10 0 CEAEHN NCc1cc(OC2CCOCC2)c2ccccc2n1 ZINC000109589932 186265171 /nfs/dbraw/zinc/26/51/71/186265171.db2.gz DSCNCHNZRMUXFO-UHFFFAOYSA-N 0 3 258.321 2.251 10 0 CEAEHN COc1ccc(NC(=S)N2CCC[C@@H]2CN(C)C)cc1 ZINC000109670933 186269017 /nfs/dbraw/zinc/26/90/17/186269017.db2.gz ZRIAWPGJYOUIFY-CYBMUJFWSA-N 0 3 293.436 2.418 10 0 CEAEHN CCC[C@H](C)CN1CCN([C@H](CC)C(N)=S)CC1 ZINC000109469412 186253565 /nfs/dbraw/zinc/25/35/65/186253565.db2.gz OYJBZVTVBBHLDI-QWHCGFSZSA-N 0 3 271.474 2.105 10 0 CEAEHN CN[C@@H](CO[C@H]1CCOC1)c1cc(C)ccc1OC ZINC000110526806 186300668 /nfs/dbraw/zinc/30/06/68/186300668.db2.gz CPDXDYWESLFXQW-JSGCOSHPSA-N 0 3 265.353 2.070 10 0 CEAEHN CCN[C@@H](CO[C@@H]1CCOC1)c1cc(OC)ccc1OC ZINC000110526280 186300775 /nfs/dbraw/zinc/30/07/75/186300775.db2.gz JOSQBSZTLIDYPO-HIFRSBDPSA-N 0 3 295.379 2.160 10 0 CEAEHN CC[C@H](N)[C@@H](c1sccc1C)N1CCNC(=O)C1(C)C ZINC000110653803 186310822 /nfs/dbraw/zinc/31/08/22/186310822.db2.gz HGAUECIIQCTLQU-RYUDHWBXSA-N 0 3 295.452 2.045 10 0 CEAEHN COC(=O)[C@@](N)(CN1CCC[C@@H](C)CC1)c1ccccc1 ZINC000110809310 186326515 /nfs/dbraw/zinc/32/65/15/186326515.db2.gz VOYMNIQYRUSMNS-RHSMWYFYSA-N 0 3 290.407 2.136 10 0 CEAEHN CN[C@@H](C)c1ccc(C)cc1OCc1nnc(C)n1C ZINC000110959346 186336482 /nfs/dbraw/zinc/33/64/82/186336482.db2.gz GRBWNCMLVJAFKS-NSHDSACASA-N 0 3 274.368 2.291 10 0 CEAEHN CCN[C@@H](C)c1ccc(C)cc1OCC(=O)N(C)C ZINC000110960916 186337704 /nfs/dbraw/zinc/33/77/04/186337704.db2.gz AUXXITGYNYVONS-LBPRGKRZSA-N 0 3 264.369 2.133 10 0 CEAEHN C[C@H]1CN(Cc2ccc(N)cc2Cl)CCN1C ZINC000110702161 186314536 /nfs/dbraw/zinc/31/45/36/186314536.db2.gz SNCPJPZWXAZNJD-JTQLQIEISA-N 0 3 253.777 2.058 10 0 CEAEHN CC[C@@H]1CN(Cc2ccnc(Cl)c2)CCN1C ZINC000110717623 186316081 /nfs/dbraw/zinc/31/60/81/186316081.db2.gz ARCVLILEIKJADT-GFCCVEGCSA-N 0 3 253.777 2.261 10 0 CEAEHN C[C@H]1CCC(=O)[C@@H](CN2CCN(C)C(C)(C)C2)C1 ZINC000110744131 186318619 /nfs/dbraw/zinc/31/86/19/186318619.db2.gz MICCIVTXSXIZMG-QWHCGFSZSA-N 0 3 252.402 2.018 10 0 CEAEHN Cc1cccc(NCCN2CCN(C)C(C)(C)C2)c1 ZINC000110758180 186321270 /nfs/dbraw/zinc/32/12/70/186321270.db2.gz VOPVXPILBIESON-UHFFFAOYSA-N 0 3 261.413 2.433 10 0 CEAEHN CCOC(=O)c1cc(C)sc1NC(=O)C(C)(C)NC ZINC000110777550 186323024 /nfs/dbraw/zinc/32/30/24/186323024.db2.gz BPSBOUMWUJJAAX-UHFFFAOYSA-N 0 3 284.381 2.170 10 0 CEAEHN Cc1cc(N[C@H]2CCC(=O)NC2)c2ccccc2n1 ZINC000111021849 186345075 /nfs/dbraw/zinc/34/50/75/186345075.db2.gz RUJJSTISVAQYFH-NSHDSACASA-N 0 3 255.321 2.234 10 0 CEAEHN CN(C[C@@H]1CCCCO1)[C@@H](CN)c1cccc(F)c1F ZINC000111039521 186347051 /nfs/dbraw/zinc/34/70/51/186347051.db2.gz IWTGGSHXSQZHHJ-FZMZJTMJSA-N 0 3 284.350 2.466 10 0 CEAEHN NC[C@H](c1cccc(F)c1F)N1CCSCC1 ZINC000111039125 186347269 /nfs/dbraw/zinc/34/72/69/186347269.db2.gz QTVXRTRPTAJCSP-LLVKDONJSA-N 0 3 258.337 2.013 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2cccc(F)c2)C1 ZINC000147742867 539807110 /nfs/dbraw/zinc/80/71/10/539807110.db2.gz NEUKAHGFVYHHTN-IUODEOHRSA-N 0 3 266.360 2.197 10 0 CEAEHN CCc1ccc([C@@H](CN)N(C)CC2CCOCC2)o1 ZINC000111159994 186362162 /nfs/dbraw/zinc/36/21/62/186362162.db2.gz IOLSUZJGISRIEF-CQSZACIVSA-N 0 3 266.385 2.200 10 0 CEAEHN C[C@H](O)c1ccc(N(C)CCN(C)C)c(Cl)c1 ZINC000111139262 186357859 /nfs/dbraw/zinc/35/78/59/186357859.db2.gz GZRAHSOGPHXQCM-JTQLQIEISA-N 0 3 256.777 2.391 10 0 CEAEHN Nc1cncc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000111178047 186365394 /nfs/dbraw/zinc/36/53/94/186365394.db2.gz CCJJXBOAYSBZAA-CQSZACIVSA-N 0 3 283.379 2.135 10 0 CEAEHN C[C@@H](CN1CCCC1)NC(=O)c1ccc2[nH]ccc2c1 ZINC000111277440 186386302 /nfs/dbraw/zinc/38/63/02/186386302.db2.gz GBKBEXXSZIARNS-LBPRGKRZSA-N 0 3 271.364 2.382 10 0 CEAEHN CC(C)(C)C1CCN(C(=O)c2ccc(CN)cn2)CC1 ZINC000111282235 186387826 /nfs/dbraw/zinc/38/78/26/186387826.db2.gz ARFBDJOLEWECPP-UHFFFAOYSA-N 0 3 275.396 2.439 10 0 CEAEHN Cc1cccc(C)c1NC(=O)c1ccc(CN)cn1 ZINC000111281139 186388763 /nfs/dbraw/zinc/38/87/63/186388763.db2.gz MVKOKMCKWAXEAS-UHFFFAOYSA-N 0 3 255.321 2.409 10 0 CEAEHN Cc1c(Cl)ncnc1OCCN1CCCCC1 ZINC000111294092 186391845 /nfs/dbraw/zinc/39/18/45/186391845.db2.gz KQXPFKLJNXZXBO-UHFFFAOYSA-N 0 3 255.749 2.303 10 0 CEAEHN N[C@@H](c1ccc2c(c1)COC2)c1ccc2c(c1)CC(=O)N2 ZINC000111305625 186393489 /nfs/dbraw/zinc/39/34/89/186393489.db2.gz GDHBCPYUGFBYKU-KRWDZBQOSA-N 0 3 280.327 2.260 10 0 CEAEHN N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(F)cc(F)c1 ZINC000111367068 186407066 /nfs/dbraw/zinc/40/70/66/186407066.db2.gz GUAXMZXUXYFHME-CABCVRRESA-N 0 3 288.297 2.319 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1[C@H](C)CNC[C@@H]1C ZINC000111903154 186464483 /nfs/dbraw/zinc/46/44/83/186464483.db2.gz PCVJNXJWQYLSFF-AOOOYVTPSA-N 0 3 282.771 2.171 10 0 CEAEHN CCC[C@H](O)CN[C@H](C)c1c(C)nn(CC)c1C ZINC000131106090 366021794 /nfs/dbraw/zinc/02/17/94/366021794.db2.gz NONBZGRJKAYBTN-MFKMUULPSA-N 0 3 253.390 2.331 10 0 CEAEHN Cc1cccc(-c2cc3c(N4CCNCC4)nccn3n2)c1 ZINC000070459161 363087452 /nfs/dbraw/zinc/08/74/52/363087452.db2.gz WQBGNDPLYOPPTM-UHFFFAOYSA-N 0 3 293.374 2.114 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(F)cn1 ZINC000122295040 187025395 /nfs/dbraw/zinc/02/53/95/187025395.db2.gz GCLFPZNFHQRWNM-GFCCVEGCSA-N 0 3 280.347 2.169 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@H]1CCCS1 ZINC000123165754 187074922 /nfs/dbraw/zinc/07/49/22/187074922.db2.gz URUNCOOSNAWHAW-CHWSQXEVSA-N 0 3 287.473 2.158 10 0 CEAEHN CC[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccc(F)cc1 ZINC000123416367 187090420 /nfs/dbraw/zinc/09/04/20/187090420.db2.gz CEBNYHYLEXWSDP-HUUCEWRRSA-N 0 3 278.371 2.482 10 0 CEAEHN CC[C@@H](O)CN1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC000123534830 187097658 /nfs/dbraw/zinc/09/76/58/187097658.db2.gz QYULDCUXLJBEMX-OAHLLOKOSA-N 0 3 280.387 2.023 10 0 CEAEHN CCN1CCO[C@H](CN[C@H](C)c2ccsc2)C1 ZINC000252646005 539884539 /nfs/dbraw/zinc/88/45/39/539884539.db2.gz RHXBAVLDCGSGPK-DGCLKSJQSA-N 0 3 254.399 2.119 10 0 CEAEHN CCCN[C@H](C)c1c(F)cccc1N1CCN(C)C(=O)C1 ZINC000084204771 535192155 /nfs/dbraw/zinc/19/21/55/535192155.db2.gz KQTIKEFIJJDHFS-GFCCVEGCSA-N 0 3 293.386 2.165 10 0 CEAEHN CN(C)C[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC000152483597 188022393 /nfs/dbraw/zinc/02/23/93/188022393.db2.gz SSOLEYWXYKQLHG-ZIAGYGMSSA-N 0 3 260.381 2.452 10 0 CEAEHN Cc1cc(C)cc(CCNC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000156158887 188245952 /nfs/dbraw/zinc/24/59/52/188245952.db2.gz DUBPUXMQIZUKJJ-MRXNPFEDSA-N 0 3 289.423 2.191 10 0 CEAEHN CCN1CCO[C@@H](CN[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000165240395 540015411 /nfs/dbraw/zinc/01/54/11/540015411.db2.gz HXCVGKHFSIMWIW-NHYWBVRUSA-N 0 3 284.350 2.336 10 0 CEAEHN CCCCN(C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000132597517 366156292 /nfs/dbraw/zinc/15/62/92/366156292.db2.gz IGZYJPYGZCUXCK-STQMWFEESA-N 0 3 255.406 2.157 10 0 CEAEHN Cc1occc1CN(C)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000132507614 366149783 /nfs/dbraw/zinc/14/97/83/366149783.db2.gz WIQXFFXOFNXNAQ-WFASDCNBSA-N 0 3 293.411 2.458 10 0 CEAEHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)c(C)n1C(C)C ZINC000170860370 188698208 /nfs/dbraw/zinc/69/82/08/188698208.db2.gz NWWFMMNKMGSJHH-AWEZNQCLSA-N 0 3 277.412 2.462 10 0 CEAEHN CCCC(CCC)C(=O)N[C@@H](CN)C(F)(F)F ZINC000401876952 540100691 /nfs/dbraw/zinc/10/06/91/540100691.db2.gz ODAVSTHYVJIVJN-VIFPVBQESA-N 0 3 254.296 2.209 10 0 CEAEHN C[C@H]1C[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000076074385 363518101 /nfs/dbraw/zinc/51/81/01/363518101.db2.gz OMLQQEDXFNKJLQ-QWHCGFSZSA-N 0 3 297.468 2.056 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCN1CCCCC1 ZINC000077264805 363546166 /nfs/dbraw/zinc/54/61/66/363546166.db2.gz PIEVESYZXHHKAL-JYJNAYRXSA-N 0 3 294.439 2.278 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCn1cc(Cl)cn1 ZINC000336322437 213166530 /nfs/dbraw/zinc/16/65/30/213166530.db2.gz ZRGAQLMXFBHGSK-TZMCWYRMSA-N 0 3 282.819 2.095 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC000155451902 540296693 /nfs/dbraw/zinc/29/66/93/540296693.db2.gz UDQNDGYDISEXSJ-YPMHNXCESA-N 0 3 292.427 2.166 10 0 CEAEHN C[N@@H+]1CCCC12CCN(C(=O)c1cc([O-])ccc1F)CC2 ZINC000336194232 213012157 /nfs/dbraw/zinc/01/21/57/213012157.db2.gz IVAQFAGKMRWZFY-UHFFFAOYSA-N 0 3 292.354 2.232 10 0 CEAEHN C[N@H+]1CCCC12CCN(C(=O)c1cc([O-])ccc1F)CC2 ZINC000336194232 213012160 /nfs/dbraw/zinc/01/21/60/213012160.db2.gz IVAQFAGKMRWZFY-UHFFFAOYSA-N 0 3 292.354 2.232 10 0 CEAEHN CCC[C@@H](N)C(=O)NC[C@H](C)Sc1ccccc1 ZINC000236958679 370665452 /nfs/dbraw/zinc/66/54/52/370665452.db2.gz RAZXZDVMKLBYMO-WCQYABFASA-N 0 3 266.410 2.411 10 0 CEAEHN CN[C@H](CN1CCOCC1)c1cccc(Br)c1 ZINC000148359291 366581140 /nfs/dbraw/zinc/58/11/40/366581140.db2.gz LXCXBWNDTKQXOO-CYBMUJFWSA-N 0 3 299.212 2.042 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1cccc(F)c1 ZINC000176995426 189019025 /nfs/dbraw/zinc/01/90/25/189019025.db2.gz RYILRRDXGKHSMP-OAHLLOKOSA-N 0 3 278.371 2.311 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccncc1 ZINC000177024961 189022045 /nfs/dbraw/zinc/02/20/45/189022045.db2.gz BRPGNUYYMWYFPS-CYBMUJFWSA-N 0 3 262.357 2.030 10 0 CEAEHN CCC[C@@H](C(=O)NCCOc1ccccc1C)N(C)C ZINC000178651228 189134608 /nfs/dbraw/zinc/13/46/08/189134608.db2.gz MIRSDDISCPFCLO-AWEZNQCLSA-N 0 3 278.396 2.220 10 0 CEAEHN CC[C@H](NC[C@@H]1CN(C)CCO1)c1cc(C)ccc1OC ZINC000180490863 189258047 /nfs/dbraw/zinc/25/80/47/189258047.db2.gz RKPLLEFTJSZURI-ZBFHGGJFSA-N 0 3 292.423 2.375 10 0 CEAEHN COc1ccc([C@@H](C)NCC[C@H]2CCOC2=O)cc1OC ZINC000180886493 189281969 /nfs/dbraw/zinc/28/19/69/189281969.db2.gz JXJMORUKOWSUHY-NEPJUHHUSA-N 0 3 293.363 2.308 10 0 CEAEHN CCc1ccnc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000181933488 189310314 /nfs/dbraw/zinc/31/03/14/189310314.db2.gz XEXZDVHSYUHSQR-SWLSCSKDSA-N 0 3 275.396 2.103 10 0 CEAEHN CCC[C@@H](N)C(=O)NCc1ccc(Cl)cc1OCC ZINC000182702822 189332334 /nfs/dbraw/zinc/33/23/34/189332334.db2.gz QFJZJTYOVTVUMN-GFCCVEGCSA-N 0 3 284.787 2.482 10 0 CEAEHN Nc1nc(NC2CCCCC2)nc(N2CCCCC2)n1 ZINC000013800824 361442291 /nfs/dbraw/zinc/44/22/91/361442291.db2.gz OJIFMMPRAKIUDY-UHFFFAOYSA-N 0 3 276.388 2.189 10 0 CEAEHN COc1cccc(OC(=O)c2ccc(NC(=N)N)cc2)c1 ZINC000027560846 361655212 /nfs/dbraw/zinc/65/52/12/361655212.db2.gz AZTUARIVGDJWKF-UHFFFAOYSA-N 0 3 285.303 2.220 10 0 CEAEHN CCN(CC)c1ncc(CNC[C@H]2CCC[C@H]2O)s1 ZINC000089164335 363943696 /nfs/dbraw/zinc/94/36/96/363943696.db2.gz LXGMQICQCBLUEI-DGCLKSJQSA-N 0 3 283.441 2.240 10 0 CEAEHN C[C@H](NCCN1C(=O)CCC1=O)c1cccc(Cl)c1 ZINC000089684875 363992544 /nfs/dbraw/zinc/99/25/44/363992544.db2.gz TVABDUCKMKOUQO-JTQLQIEISA-N 0 3 280.755 2.140 10 0 CEAEHN Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@H](O)COC(C)(C)C ZINC000091080541 364068489 /nfs/dbraw/zinc/06/84/89/364068489.db2.gz ZRWOVEYSSDXVGG-KBPBESRZSA-N 0 3 295.427 2.339 10 0 CEAEHN Cn1cccc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000092812921 364110078 /nfs/dbraw/zinc/11/00/78/364110078.db2.gz SPNMEBRKGWHBSV-CQSZACIVSA-N 0 3 270.380 2.354 10 0 CEAEHN Cc1cc(Br)nc(CN)c1Br ZINC000156749874 366837209 /nfs/dbraw/zinc/83/72/09/366837209.db2.gz MHWVSPSGTYRNCR-UHFFFAOYSA-N 0 3 279.963 2.374 10 0 CEAEHN COC[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000103428395 364651713 /nfs/dbraw/zinc/65/17/13/364651713.db2.gz DEUVYHNGZTVMCP-QWHCGFSZSA-N 0 3 296.436 2.284 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC1CCC1 ZINC000111826906 364762571 /nfs/dbraw/zinc/76/25/71/364762571.db2.gz JPZJOMMLFFXGMG-CQSZACIVSA-N 0 3 269.433 2.404 10 0 CEAEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccccc1Cl ZINC000112453301 364808994 /nfs/dbraw/zinc/80/89/94/364808994.db2.gz QXSZWEBTMPZUDY-NWDGAFQWSA-N 0 3 268.788 2.321 10 0 CEAEHN C[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)C(C)(C)C ZINC000112461183 364811447 /nfs/dbraw/zinc/81/14/47/364811447.db2.gz KRKZDEJRGHSEJP-VXGBXAGGSA-N 0 3 255.406 2.157 10 0 CEAEHN Cc1noc(C)c1CN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116318523 365051018 /nfs/dbraw/zinc/05/10/18/365051018.db2.gz HPIQUPKNMVABMZ-GFCCVEGCSA-N 0 3 260.341 2.014 10 0 CEAEHN Cn1cc([C@H]2CCN(CCOC(C)(C)C)C2)cn1 ZINC000116319048 365051054 /nfs/dbraw/zinc/05/10/54/365051054.db2.gz XLRDLXMEXZZKPV-LBPRGKRZSA-N 0 3 251.374 2.025 10 0 CEAEHN CC(C)COC[C@@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000116404526 365053938 /nfs/dbraw/zinc/05/39/38/365053938.db2.gz DYZYWSQHQWBKDG-UONOGXRCSA-N 0 3 267.369 2.450 10 0 CEAEHN CC(C)CCC[C@H](C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117023681 365089341 /nfs/dbraw/zinc/08/93/41/365089341.db2.gz JUHQSMAZNBDVJU-GJZGRUSLSA-N 0 3 299.459 2.173 10 0 CEAEHN COC(=O)CCCN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000117337864 365102438 /nfs/dbraw/zinc/10/24/38/365102438.db2.gz VVGIDPLBEZZZAY-CQSZACIVSA-N 0 3 291.395 2.077 10 0 CEAEHN CC(=O)N[C@H]1CCCN(C[C@@H](C)c2ccccc2)C1 ZINC000116877549 365078240 /nfs/dbraw/zinc/07/82/40/365078240.db2.gz NFAQVBLVXAXWPX-CJNGLKHVSA-N 0 3 260.381 2.391 10 0 CEAEHN CCC[C@H](C(=O)NCCOc1cccc(F)c1)N(C)C ZINC000161552934 367096422 /nfs/dbraw/zinc/09/64/22/367096422.db2.gz SZMJGJJZYWMGDM-CQSZACIVSA-N 0 3 282.359 2.051 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC000245431841 370818974 /nfs/dbraw/zinc/81/89/74/370818974.db2.gz NMNJIHVVXCKNOB-ZIAGYGMSSA-N 0 3 250.386 2.285 10 0 CEAEHN CN(C)[C@H]1CCN(C(=O)c2cc(F)cc3cccnc32)C1 ZINC000163244750 367225383 /nfs/dbraw/zinc/22/53/83/367225383.db2.gz HWTYFYQBWXWZNC-ZDUSSCGKSA-N 0 3 287.338 2.150 10 0 CEAEHN CCc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000171069827 367471869 /nfs/dbraw/zinc/47/18/69/367471869.db2.gz UKUFHLBCAXMRBA-CQSZACIVSA-N 0 3 261.369 2.417 10 0 CEAEHN COc1c(F)cc(NC(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000171080209 367472456 /nfs/dbraw/zinc/47/24/56/367472456.db2.gz BRUYYBKZXKPWTC-JTQLQIEISA-N 0 3 299.321 2.141 10 0 CEAEHN CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](N(C)C)C1 ZINC000170837055 367429988 /nfs/dbraw/zinc/42/99/88/367429988.db2.gz ZCKLCBJOOAFSCS-CVEARBPZSA-N 0 3 289.423 2.353 10 0 CEAEHN COc1ccc(CCCC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000170864259 367434257 /nfs/dbraw/zinc/43/42/57/367434257.db2.gz DOBFQDSYAXGUPI-OAHLLOKOSA-N 0 3 290.407 2.180 10 0 CEAEHN C[C@H]1CN(C[C@H](O)COCc2cccs2)CCS1 ZINC000170901516 367443817 /nfs/dbraw/zinc/44/38/17/367443817.db2.gz DWXPWKDXTRELHY-RYUDHWBXSA-N 0 3 287.450 2.063 10 0 CEAEHN CCC[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)N(C)C ZINC000245764831 370871804 /nfs/dbraw/zinc/87/18/04/370871804.db2.gz JECRMHBTFHISPL-KFWWJZLASA-N 0 3 292.427 2.023 10 0 CEAEHN CC(C)c1noc([C@H](C)N2CCN3CCCC[C@@H]3C2)n1 ZINC000172800787 367822260 /nfs/dbraw/zinc/82/22/60/367822260.db2.gz WISFBVLSMMSKQM-QWHCGFSZSA-N 0 3 278.400 2.424 10 0 CEAEHN CC[C@@H](O)CN1CCN(C[C@H](C)c2ccccc2)CC1 ZINC000174071566 367978688 /nfs/dbraw/zinc/97/86/88/367978688.db2.gz YTTQMQGJFPSCLI-DOTOQJQBSA-N 0 3 276.424 2.179 10 0 CEAEHN Cc1cnc([C@H](C)NC(=O)N2CCN3CCC[C@@H]3C2)s1 ZINC000174915462 368078895 /nfs/dbraw/zinc/07/88/95/368078895.db2.gz UMFLJPJZNZVNNU-NWDGAFQWSA-N 0 3 294.424 2.002 10 0 CEAEHN CCCc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)[nH]n1 ZINC000175042107 368092174 /nfs/dbraw/zinc/09/21/74/368092174.db2.gz LVTXWLUCVNNCFI-KBPBESRZSA-N 0 3 290.411 2.061 10 0 CEAEHN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1Cc1cc[nH]n1 ZINC000345108339 368155755 /nfs/dbraw/zinc/15/57/55/368155755.db2.gz SIQYEGGKHPENNU-ZNMIVQPWSA-N 0 3 263.385 2.315 10 0 CEAEHN CC[C@@H](O)CN1CCN(CCCc2ccccc2C)CC1 ZINC000175910447 368187581 /nfs/dbraw/zinc/18/75/81/368187581.db2.gz BEELEPJSIBLLHR-GOSISDBHSA-N 0 3 290.451 2.316 10 0 CEAEHN CC(C)(C)OC[C@@H](O)CN[C@@H](CCCO)c1ccccc1 ZINC000179758787 368350009 /nfs/dbraw/zinc/35/00/09/368350009.db2.gz GOUCGRVZLHTVIQ-HOTGVXAUSA-N 0 3 295.423 2.266 10 0 CEAEHN C[C@@H]1COC[C@@H](C)N1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181714589 368486177 /nfs/dbraw/zinc/48/61/77/368486177.db2.gz NVTSJIPVLJLLMZ-ZIAGYGMSSA-N 0 3 296.455 2.380 10 0 CEAEHN Cc1ccc([C@@H](C)NC(=O)N(C)CCN(C)C2CC2)o1 ZINC000185074127 368743250 /nfs/dbraw/zinc/74/32/50/368743250.db2.gz LNYXHRXBELWQHY-GFCCVEGCSA-N 0 3 279.384 2.385 10 0 CEAEHN CC(=O)Oc1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000246291217 370942189 /nfs/dbraw/zinc/94/21/89/370942189.db2.gz WCHLOBYCOWRZQA-INIZCTEOSA-N 0 3 288.391 2.282 10 0 CEAEHN CCc1nnc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)n1C ZINC000187571130 369181215 /nfs/dbraw/zinc/18/12/15/369181215.db2.gz ZASVVUNYSBWSEG-SDDRHHMPSA-N 0 3 250.390 2.292 10 0 CEAEHN CSC[C@@H](O)CN1CCC[C@H](c2nc(C)cs2)C1 ZINC000187860023 369238101 /nfs/dbraw/zinc/23/81/01/369238101.db2.gz BBIZKCIDNMAFDR-RYUDHWBXSA-N 0 3 286.466 2.355 10 0 CEAEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H]1CCCCO1 ZINC000249716384 284167593 /nfs/dbraw/zinc/16/75/93/284167593.db2.gz ITLRVVONLBXLPJ-YJNKXOJESA-N 0 3 281.396 2.362 10 0 CEAEHN COc1ccc(CN(C)[C@H]2CCC[C@H]2O)cc1F ZINC000352666754 369824336 /nfs/dbraw/zinc/82/43/36/369824336.db2.gz IGXQNEYVEMERNE-QWHCGFSZSA-N 0 3 253.317 2.180 10 0 CEAEHN Clc1csc(CN[C@@H]2CCc3ncnn3C2)c1 ZINC000193091959 369891693 /nfs/dbraw/zinc/89/16/93/369891693.db2.gz DANPBBBCZWAAIG-SECBINFHSA-N 0 3 268.773 2.098 10 0 CEAEHN CC(C)(O)CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000193148733 369899030 /nfs/dbraw/zinc/89/90/30/369899030.db2.gz XZCOKLSRSUYUBR-UHFFFAOYSA-N 0 3 283.799 2.394 10 0 CEAEHN CCCCOC[C@H](O)CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000193366733 369933320 /nfs/dbraw/zinc/93/33/20/369933320.db2.gz OBWUXSOYBQRYSC-GXTWGEPZSA-N 0 3 295.379 2.244 10 0 CEAEHN COC(=O)[C@@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1 ZINC000029483533 284192762 /nfs/dbraw/zinc/19/27/62/284192762.db2.gz OSKZYLPFYNARRX-OSAQELSMSA-N 0 3 284.359 2.301 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)[C@@H](C)c1ccncc1 ZINC000195203775 370114593 /nfs/dbraw/zinc/11/45/93/370114593.db2.gz LYYCQGMQFHAGKB-ZFWWWQNUSA-N 0 3 266.385 2.252 10 0 CEAEHN COc1cc(C)nc(CN[C@H](C)[C@H]2CCCO2)c1 ZINC000214088838 370170082 /nfs/dbraw/zinc/17/00/82/370170082.db2.gz UWYYEXGJWGNVEZ-BXUZGUMPSA-N 0 3 250.342 2.056 10 0 CEAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2ccon2)C1 ZINC000195296400 370123116 /nfs/dbraw/zinc/12/31/16/370123116.db2.gz SFOWTPYQNHNGFT-HNNXBMFYSA-N 0 3 286.379 2.024 10 0 CEAEHN COc1c(CNC[C@H](C)c2nccs2)c(C)nn1C ZINC000230692455 370464951 /nfs/dbraw/zinc/46/49/51/370464951.db2.gz VWNLYXVRNDVHNO-VIFPVBQESA-N 0 3 280.397 2.087 10 0 CEAEHN C[C@@H]1CN(CCCCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000246838736 371018611 /nfs/dbraw/zinc/01/86/11/371018611.db2.gz CHENLEJJGDJIBT-HMQPTBHHSA-N 0 3 298.471 2.375 10 0 CEAEHN COc1ccc(F)cc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000247233975 371080522 /nfs/dbraw/zinc/08/05/22/371080522.db2.gz MTPUPPDFWUWQEP-AAEUAGOBSA-N 0 3 292.354 2.143 10 0 CEAEHN Cc1ccc(C)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1 ZINC000247873984 371145270 /nfs/dbraw/zinc/14/52/70/371145270.db2.gz YDMRFLJWRAILMR-CVEARBPZSA-N 0 3 276.424 2.190 10 0 CEAEHN CC(C)CCO[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247459350 371110134 /nfs/dbraw/zinc/11/01/34/371110134.db2.gz UHBNLBDQRBOZBY-RRFJBIMHSA-N 0 3 284.444 2.283 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 ZINC000247475842 371113118 /nfs/dbraw/zinc/11/31/18/371113118.db2.gz SHOXFGXZPHSFRO-MBNYWOFBSA-N 0 3 294.345 2.231 10 0 CEAEHN CCOc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000247482248 371114918 /nfs/dbraw/zinc/11/49/18/371114918.db2.gz STYDSPJUNSFPJE-HIFRSBDPSA-N 0 3 288.391 2.394 10 0 CEAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C1(c2ccccc2)CC1 ZINC000247545504 371123959 /nfs/dbraw/zinc/12/39/59/371123959.db2.gz YTUCPHIMDTVKCZ-HOCLYGCPSA-N 0 3 284.403 2.413 10 0 CEAEHN CCS[C@H](C)c1noc(CN2CCN3CCC[C@H]3C2)n1 ZINC000248215343 371169953 /nfs/dbraw/zinc/16/99/53/371169953.db2.gz ZOOPEZBGHQVXOU-NEPJUHHUSA-N 0 3 296.440 2.164 10 0 CEAEHN CCc1nc(CN2CCN3CCCC[C@H]3C2)cs1 ZINC000248357344 371178450 /nfs/dbraw/zinc/17/84/50/371178450.db2.gz PJWPIAXMEIWLTF-ZDUSSCGKSA-N 0 3 265.426 2.376 10 0 CEAEHN CCN1CCC[C@H](NC(=O)[C@H]2C[C@@]2(C)C(C)C)C1 ZINC000248482326 371201332 /nfs/dbraw/zinc/20/13/32/371201332.db2.gz UAFMJWYOXZNCCI-GUTXKFCHSA-N 0 3 252.402 2.269 10 0 CEAEHN C[C@H]1CN(CCN(C)Cc2ccc(F)cc2)[C@@H](C)CO1 ZINC000248584551 371217492 /nfs/dbraw/zinc/21/74/92/371217492.db2.gz XCURFOLVNOAAHF-KBPBESRZSA-N 0 3 280.387 2.367 10 0 CEAEHN C[C@H](c1cnccn1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248599234 371219590 /nfs/dbraw/zinc/21/95/90/371219590.db2.gz BQYVZAFMIVDGMT-IPYPFGDCSA-N 0 3 261.369 2.165 10 0 CEAEHN CCCCOC[C@@H](O)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000248662222 371232712 /nfs/dbraw/zinc/23/27/12/371232712.db2.gz YCMHUTJTNKRXQK-CVEARBPZSA-N 0 3 295.427 2.006 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1cccc(F)c1N ZINC000251704198 371414168 /nfs/dbraw/zinc/41/41/68/371414168.db2.gz JBFFCFNERCOWRT-OCCSQVGLSA-N 0 3 277.387 2.467 10 0 CEAEHN O[C@@H](CN1CCN2CCCC[C@H]2C1)c1ccccc1F ZINC000252649062 371460632 /nfs/dbraw/zinc/46/06/32/371460632.db2.gz OFXMXFHXCXUVOI-BBRMVZONSA-N 0 3 278.371 2.029 10 0 CEAEHN Cc1occc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000252663394 371463654 /nfs/dbraw/zinc/46/36/54/371463654.db2.gz FSLKTTGCVYYYEN-MFKMUULPSA-N 0 3 250.342 2.047 10 0 CEAEHN CC(C)Cn1cc(N[C@@H]2CCC[C@H]2[C@H]2COCCN2)cn1 ZINC000261952285 371782678 /nfs/dbraw/zinc/78/26/78/371782678.db2.gz ONKNBQRYRAUISI-BZUAXINKSA-N 0 3 292.427 2.108 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000263530549 371941049 /nfs/dbraw/zinc/94/10/49/371941049.db2.gz WGHHQDCKIIWHEA-WMUDQEJXSA-N 0 3 282.428 2.338 10 0 CEAEHN COC[C@]1(C(=O)Nc2ccc(SC)cc2)CCCN1 ZINC000643623219 373225164 /nfs/dbraw/zinc/22/51/64/373225164.db2.gz JNIJZRBGBSMPJN-AWEZNQCLSA-N 0 3 280.393 2.116 10 0 CEAEHN CC[C@@H](NC(=O)[C@H]1CNCCOC1)c1ccc(Cl)cc1 ZINC000643625869 373225262 /nfs/dbraw/zinc/22/52/62/373225262.db2.gz SYKARECRPLIEJP-GXTWGEPZSA-N 0 3 296.798 2.143 10 0 CEAEHN CCn1nc(C)c([C@@H](C)NCC2([S@@](C)=O)CC2)c1C ZINC000380188145 375160268 /nfs/dbraw/zinc/16/02/68/375160268.db2.gz VIIYLKXEWQKHIV-GIGQVBGESA-N 0 3 283.441 2.082 10 0 CEAEHN CCN1CC[C@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC000389262490 375301762 /nfs/dbraw/zinc/30/17/62/375301762.db2.gz OZMGVQHFDHRZEI-AWEZNQCLSA-N 0 3 271.364 2.124 10 0 CEAEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C)c1ccc(F)c(F)c1 ZINC000282500705 375499575 /nfs/dbraw/zinc/49/95/75/375499575.db2.gz WRFVKEBOJVJWFT-MWODSPESSA-N 0 3 268.307 2.283 10 0 CEAEHN C=Cn1cc(CNC[C@H](C)N(C)C(=O)OC(C)(C)C)cn1 ZINC000282850166 375594306 /nfs/dbraw/zinc/59/43/06/375594306.db2.gz PMYNWMPBYOXSHX-LBPRGKRZSA-N 0 3 294.399 2.329 10 0 CEAEHN O[C@@]1(C(F)(F)F)CCN(C[C@@H]2Cc3ccccc32)C1 ZINC000287905859 376339254 /nfs/dbraw/zinc/33/92/54/376339254.db2.gz VCVNBQLAZULZBY-AAEUAGOBSA-N 0 3 271.282 2.325 10 0 CEAEHN Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(=O)[n-]1 ZINC000307223870 376560684 /nfs/dbraw/zinc/56/06/84/376560684.db2.gz KIEGKPJNDHMHOM-CQSZACIVSA-N 0 3 284.363 2.177 10 0 CEAEHN Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(=O)[n-]1 ZINC000307223870 376560689 /nfs/dbraw/zinc/56/06/89/376560689.db2.gz KIEGKPJNDHMHOM-CQSZACIVSA-N 0 3 284.363 2.177 10 0 CEAEHN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180857829 542267276 /nfs/dbraw/zinc/26/72/76/542267276.db2.gz SHOIJZOGGNENGM-CMPLNLGQSA-N 0 3 288.399 2.099 10 0 CEAEHN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000181090491 542270961 /nfs/dbraw/zinc/27/09/61/542270961.db2.gz QZOLQKRYDCAPNL-PWSUYJOCSA-N 0 3 288.399 2.099 10 0 CEAEHN CCN(C)S(=O)(=O)c1cc(CNC(C)C)cc(C)c1C ZINC000088940134 184614323 /nfs/dbraw/zinc/61/43/23/184614323.db2.gz WKPDUUNXOJNRKY-UHFFFAOYSA-N 0 3 298.452 2.442 10 0 CEAEHN CCCNCc1cc(S(=O)(=O)N(C)CC)c(C)s1 ZINC000088940550 184614533 /nfs/dbraw/zinc/61/45/33/184614533.db2.gz YHKVRYLKCGRHNS-UHFFFAOYSA-N 0 3 290.454 2.197 10 0 CEAEHN CC1(C)C(N[C@H]2CC(=O)N(c3ccccc3)C2=O)C1(C)C ZINC000092816256 184627931 /nfs/dbraw/zinc/62/79/31/184627931.db2.gz VSYZNGSPEHXPDC-LBPRGKRZSA-N 0 3 286.375 2.343 10 0 CEAEHN COC(=O)c1ccc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000281421681 195233191 /nfs/dbraw/zinc/23/31/91/195233191.db2.gz YYDXJBGQOUWZMJ-ZSBIGDGJSA-N 0 3 281.352 2.359 10 0 CEAEHN CN[C@@H](C)[C@@H](C)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000081946399 177907677 /nfs/dbraw/zinc/90/76/77/177907677.db2.gz MDQIBJPNKXGSNU-JGVFFNPUSA-N 0 3 279.764 2.249 10 0 CEAEHN CCN(CC)CCN[C@]1(C(=O)OC)CCC[C@H](C2CC2)C1 ZINC000081644113 177834514 /nfs/dbraw/zinc/83/45/14/177834514.db2.gz RURYSTQTFOWTRS-DOTOQJQBSA-N 0 3 296.455 2.430 10 0 CEAEHN O[C@@H]1CCN(Cc2cccc(F)c2)[C@@H]1Cc1cccnc1 ZINC000247745055 256696775 /nfs/dbraw/zinc/69/67/75/256696775.db2.gz QJGNHSCRXUDRHG-IAGOWNOFSA-N 0 3 286.350 2.399 10 0 CEAEHN C[C@@H]1CCC[C@](N)(C(=O)NCc2ccc(F)cc2)C1 ZINC000080906297 177725234 /nfs/dbraw/zinc/72/52/34/177725234.db2.gz NRHZTXZRSZXZPK-IAQYHMDHSA-N 0 3 264.344 2.350 10 0 CEAEHN CCN[C@@H]1CCN([C@H](C)Cc2ccc(C)s2)C1=O ZINC000080247851 177631335 /nfs/dbraw/zinc/63/13/35/177631335.db2.gz LNANCBLFBZAVBJ-ZWNOBZJWSA-N 0 3 266.410 2.198 10 0 CEAEHN CCN[C@H](Cc1ccc(CC)cn1)c1ccncn1 ZINC000094118088 184756066 /nfs/dbraw/zinc/75/60/66/184756066.db2.gz RWBZGQRYSDBNNM-OAHLLOKOSA-N 0 3 256.353 2.327 10 0 CEAEHN CC(C)Cn1ncnc1COc1c(F)cc(CN)cc1F ZINC000094345886 184786199 /nfs/dbraw/zinc/78/61/99/184786199.db2.gz MATLHDMUHSIQKT-UHFFFAOYSA-N 0 3 296.321 2.250 10 0 CEAEHN CN[C@@H](Cc1cccnc1N)c1ccc(Cl)cn1 ZINC000094843780 184879342 /nfs/dbraw/zinc/87/93/42/184879342.db2.gz LPNZLSDWXAJTMF-LBPRGKRZSA-N 0 3 262.744 2.215 10 0 CEAEHN CCN[C@@H](c1cc(C)c(C)cc1C)[C@@H]1CN2CCN1CC2 ZINC000094509880 184812500 /nfs/dbraw/zinc/81/25/00/184812500.db2.gz VFHSKTQRUSTHCE-ROUUACIJSA-N 0 3 287.451 2.262 10 0 CEAEHN CCN[C@@H](C)c1cc(F)ccc1OC[C@@H](O)COCC ZINC000094618704 184828074 /nfs/dbraw/zinc/82/80/74/184828074.db2.gz JWUPZGSWPSRNTL-AAEUAGOBSA-N 0 3 285.359 2.272 10 0 CEAEHN Cc1ccc(NC(=O)[C@H](N)C2CCOCC2)c2cccnc12 ZINC000262122873 131192921 /nfs/dbraw/zinc/19/29/21/131192921.db2.gz WIDHJGDYILPFDA-OAHLLOKOSA-N 0 3 299.374 2.236 10 0 CEAEHN CCC[C@](C)(N)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000262162575 131195923 /nfs/dbraw/zinc/19/59/23/131195923.db2.gz VICFJXAXUKCMBU-ANQUJSFKSA-N 0 3 272.392 2.206 10 0 CEAEHN CCN1CCN(c2ccc(Br)cc2N)CC1 ZINC000019480147 134701366 /nfs/dbraw/zinc/70/13/66/134701366.db2.gz FDVREGYOWVCVTH-UHFFFAOYSA-N 0 3 284.201 2.173 10 0 CEAEHN C[C@@H]1CNCCN1c1ccc(F)cc1Br ZINC000083086687 135014041 /nfs/dbraw/zinc/01/40/41/135014041.db2.gz CKPGBEGDVRBTFK-MRVPVSSYSA-N 0 3 273.149 2.386 10 0 CEAEHN C[C@@H]1CNCCN1c1ccc(Br)c(F)c1 ZINC000083536295 135027126 /nfs/dbraw/zinc/02/71/26/135027126.db2.gz ZAMGPERUIDEXRH-MRVPVSSYSA-N 0 3 273.149 2.386 10 0 CEAEHN NCc1cnc2ccccc2c1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905332 135065956 /nfs/dbraw/zinc/06/59/56/135065956.db2.gz FXHQIMBCQSGEPW-BETUJISGSA-N 0 3 269.348 2.061 10 0 CEAEHN CNCc1cncc(N2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000091419609 135069532 /nfs/dbraw/zinc/06/95/32/135069532.db2.gz ZNGXPSWSMRZISY-JSGCOSHPSA-N 0 3 260.385 2.355 10 0 CEAEHN NCc1c(F)cccc1N1CCN(c2nccs2)CC1 ZINC000093395213 135080608 /nfs/dbraw/zinc/08/06/08/135080608.db2.gz ANCFDZHHDSSZCE-UHFFFAOYSA-N 0 3 292.383 2.068 10 0 CEAEHN CC[C@@](C)(N)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000094231689 135084282 /nfs/dbraw/zinc/08/42/82/135084282.db2.gz VTWBPVZGIJKMOA-QGZVFWFLSA-N 0 3 289.423 2.079 10 0 CEAEHN C[C@H]1C[C@H]1NCc1cc(Br)ncc1F ZINC000306478817 394515844 /nfs/dbraw/zinc/51/58/44/394515844.db2.gz ZYEHWVFKYBQZEW-IMTBSYHQSA-N 0 3 259.122 2.481 10 0 CEAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(Cl)n1 ZINC000246964203 394524299 /nfs/dbraw/zinc/52/42/99/394524299.db2.gz NAHFUYABFRNXOD-RYUDHWBXSA-N 0 3 293.798 2.434 10 0 CEAEHN CCOc1cc(CNC[C@H](O)C(C)(C)C)ccc1O ZINC000324316050 394549495 /nfs/dbraw/zinc/54/94/95/394549495.db2.gz FYSXRAJYJUINDC-AWEZNQCLSA-N 0 3 267.369 2.288 10 0 CEAEHN Clc1cc(N2CCN3CCCC[C@H]3C2)ccn1 ZINC000268198029 394691168 /nfs/dbraw/zinc/69/11/68/394691168.db2.gz YGFJPDFGNINHLJ-LBPRGKRZSA-N 0 3 251.761 2.410 10 0 CEAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(C)CC2)C1 ZINC000131445175 394910555 /nfs/dbraw/zinc/91/05/55/394910555.db2.gz YNHFUXGOAOUKMO-UONOGXRCSA-N 0 3 267.417 2.157 10 0 CEAEHN CC[C@H](O)CN1CCN(C[C@H](C)Cc2ccccc2)CC1 ZINC000132335319 394927967 /nfs/dbraw/zinc/92/79/67/394927967.db2.gz ALCPKIDVRGDKRR-AEFFLSMTSA-N 0 3 290.451 2.254 10 0 CEAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000170834873 395092740 /nfs/dbraw/zinc/09/27/40/395092740.db2.gz KUHITZIXFREUHV-RBSFLKMASA-N 0 3 291.370 2.027 10 0 CEAEHN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)CCC(C)(C)C)C1 ZINC000173887400 395117024 /nfs/dbraw/zinc/11/70/24/395117024.db2.gz WYCVGIWVBJYVNX-OLZOCXBDSA-N 0 3 290.473 2.071 10 0 CEAEHN CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000175551000 395133236 /nfs/dbraw/zinc/13/32/36/395133236.db2.gz DMYDWDORVTZIMY-TZMCWYRMSA-N 0 3 294.370 2.146 10 0 CEAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(F)ccc1OC ZINC000176966825 395143678 /nfs/dbraw/zinc/14/36/78/395143678.db2.gz WHILBELSAHETLD-ZDUSSCGKSA-N 0 3 294.370 2.391 10 0 CEAEHN COc1ncc(CN[C@H](CC(C)C)CN(C)C)s1 ZINC000381172442 395172793 /nfs/dbraw/zinc/17/27/93/395172793.db2.gz XRZYICYYFSNEMW-LLVKDONJSA-N 0 3 271.430 2.218 10 0 CEAEHN O[C@H]1CCC[C@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000383269977 395184778 /nfs/dbraw/zinc/18/47/78/395184778.db2.gz FSYQLOHLNFZRQP-RDJZCZTQSA-N 0 3 274.408 2.360 10 0 CEAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCC[C@H]1CCOC1 ZINC000401113677 395255118 /nfs/dbraw/zinc/25/51/18/395255118.db2.gz ITOIYPDBUGVDFS-PMPSAXMXSA-N 0 3 266.429 2.362 10 0 CEAEHN O=C(N[C@@H](C1CCC1)C1CCCC1)[C@H]1C[C@H](F)CN1 ZINC000648200476 395862433 /nfs/dbraw/zinc/86/24/33/395862433.db2.gz JQZKNCAQFBIDPQ-BFHYXJOUSA-N 0 3 268.376 2.162 10 0 CEAEHN C[C@@H](NC(=O)[C@@H](N)CC(F)F)c1cc(F)ccc1F ZINC000388457082 400532699 /nfs/dbraw/zinc/53/26/99/400532699.db2.gz ZVUCIFHTAPSVLX-LDWIPMOCSA-N 0 3 278.249 2.125 10 0 CEAEHN Cc1cc(C)c(CN2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000189077665 153081147 /nfs/dbraw/zinc/08/11/47/153081147.db2.gz YEPWRTRZSYOBBZ-CQSZACIVSA-N 0 3 260.381 2.322 10 0 CEAEHN C[C@@H]1OCCC[C@@H]1C(=O)NCC(C)(C)N1CCCCC1 ZINC000190619665 153137004 /nfs/dbraw/zinc/13/70/04/153137004.db2.gz JCOKVNNENNEYMW-KBPBESRZSA-N 0 3 282.428 2.182 10 0 CEAEHN CCN1CCC[C@H](NCc2nccn2-c2ccccc2)C1 ZINC000190851426 153147141 /nfs/dbraw/zinc/14/71/41/153147141.db2.gz YYUHKJLCIIRWTC-HNNXBMFYSA-N 0 3 284.407 2.446 10 0 CEAEHN CC(C)c1cc(NC(=O)[C@]2(C)CCCCN2)n[nH]1 ZINC000228340440 153362449 /nfs/dbraw/zinc/36/24/49/153362449.db2.gz DCTZGZGJQPCTDT-ZDUSSCGKSA-N 0 3 250.346 2.004 10 0 CEAEHN COCCNCCNc1nc(C)nc2sc(C)c(C)c21 ZINC000261705733 153817168 /nfs/dbraw/zinc/81/71/68/153817168.db2.gz IWUXCNDKMYTFAO-UHFFFAOYSA-N 0 3 294.424 2.264 10 0 CEAEHN CCC[C@H](C)CNC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514898 154108918 /nfs/dbraw/zinc/10/89/18/154108918.db2.gz OJKZABNWLIZNBB-GRTSSRMGSA-N 0 3 282.428 2.340 10 0 CEAEHN CCC[C@H](C)CNC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263514898 154108920 /nfs/dbraw/zinc/10/89/20/154108920.db2.gz OJKZABNWLIZNBB-GRTSSRMGSA-N 0 3 282.428 2.340 10 0 CEAEHN CCC[C@H](C)C[NH2+]C1CC(N(CC(=O)[O-])CC2CC2)C1 ZINC000263514898 154108925 /nfs/dbraw/zinc/10/89/25/154108925.db2.gz OJKZABNWLIZNBB-GRTSSRMGSA-N 0 3 282.428 2.340 10 0 CEAEHN CCN(C[C@H]1CCCO1)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000171633401 165050954 /nfs/dbraw/zinc/05/09/54/165050954.db2.gz PIMJZZMAAVENFD-HUUCEWRRSA-N 0 3 299.459 2.173 10 0 CEAEHN CCn1cnnc1[C@H]1CCCN(CCCSC)C1 ZINC000173608521 165079965 /nfs/dbraw/zinc/07/99/65/165079965.db2.gz HVYLLKJKBMYKTD-LBPRGKRZSA-N 0 3 268.430 2.231 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCOCCC(C)C ZINC000177442282 165200710 /nfs/dbraw/zinc/20/07/10/165200710.db2.gz UFHZBWBWXIPSPS-OAHLLOKOSA-N 0 3 299.459 2.175 10 0 CEAEHN CCn1ccnc1CN1CCC[C@H]1Cn1ccnc1C ZINC000178309864 165234182 /nfs/dbraw/zinc/23/41/82/165234182.db2.gz JTCJQYNCEWXKNJ-AWEZNQCLSA-N 0 3 273.384 2.073 10 0 CEAEHN CCN1CCC[C@H](Nc2ncccc2-c2nc(C)no2)C1 ZINC000180423512 165308434 /nfs/dbraw/zinc/30/84/34/165308434.db2.gz AYMXCYANQXYQQE-LBPRGKRZSA-N 0 3 287.367 2.336 10 0 CEAEHN CCc1nc2n(n1)C[C@H](N[C@H](C)c1cncc(F)c1)CC2 ZINC000180610376 165316232 /nfs/dbraw/zinc/31/62/32/165316232.db2.gz UAKUUMOAYVEFRH-ZWNOBZJWSA-N 0 3 289.358 2.040 10 0 CEAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000245897881 287222621 /nfs/dbraw/zinc/22/26/21/287222621.db2.gz SVQQJGFBQCUSSH-IXYNUQLISA-N 0 3 292.423 2.077 10 0 CEAEHN O[C@@]1(c2ccc(-c3ncccn3)cc2)CN2CCC1CC2 ZINC000003800489 169913298 /nfs/dbraw/zinc/91/32/98/169913298.db2.gz RRMINTDAZGXFGR-QGZVFWFLSA-N 0 3 281.359 2.057 10 0 CEAEHN CSc1nc2ccccc2c(NCCN(C)C)n1 ZINC000005342199 170087925 /nfs/dbraw/zinc/08/79/25/170087925.db2.gz MMQMATWWTULVMQ-UHFFFAOYSA-N 0 3 262.382 2.325 10 0 CEAEHN CC(C)OCCCN[C@@H]1COc2cc(O)ccc21 ZINC000020198219 171062086 /nfs/dbraw/zinc/06/20/86/171062086.db2.gz MQDYOBZMPRFZHP-CYBMUJFWSA-N 0 3 251.326 2.230 10 0 CEAEHN COc1ccccc1N(CCN)C(=O)CC(C)C ZINC000020235742 171096454 /nfs/dbraw/zinc/09/64/54/171096454.db2.gz QZZFFQKYXMWWNV-UHFFFAOYSA-N 0 3 250.342 2.033 10 0 CEAEHN CCc1ccc([C@@H](CN)N2CCSCC2)cc1 ZINC000020257022 171112108 /nfs/dbraw/zinc/11/21/08/171112108.db2.gz RPRNVUPLUNAMBT-CQSZACIVSA-N 0 3 250.411 2.298 10 0 CEAEHN NCc1ccnc(Oc2ccc3c(c2)CCC(=O)N3)c1 ZINC000022166421 171366177 /nfs/dbraw/zinc/36/61/77/171366177.db2.gz ICULJCPGGOUGQN-UHFFFAOYSA-N 0 3 269.304 2.217 10 0 CEAEHN Cc1cccc(OCC(=O)Nc2cccc(CN)c2)c1 ZINC000022169882 171367811 /nfs/dbraw/zinc/36/78/11/171367811.db2.gz OPWHVMRCFPPBEK-UHFFFAOYSA-N 0 3 270.332 2.471 10 0 CEAEHN C[C@@H]1CN([C@@H](CN)c2ccc(Br)cc2)CCO1 ZINC000022171423 171368234 /nfs/dbraw/zinc/36/82/34/171368234.db2.gz WMUGGOYLIBHWQQ-MFKMUULPSA-N 0 3 299.212 2.170 10 0 CEAEHN C[C@@H](OCc1ccco1)C(=O)Nc1ccccc1CN ZINC000022211370 171373661 /nfs/dbraw/zinc/37/36/61/171373661.db2.gz FFJNGFRCPHVQGQ-LLVKDONJSA-N 0 3 274.320 2.282 10 0 CEAEHN O[C@]1(c2ccc(C3OCCCO3)cc2)CN2CCC1CC2 ZINC000026744663 171497979 /nfs/dbraw/zinc/49/79/79/171497979.db2.gz YXISPSZRYQWDQP-KRWDZBQOSA-N 0 3 289.375 2.035 10 0 CEAEHN CCN(CC)C(=O)[C@H](C)N[C@H](C)CCc1ccco1 ZINC000035224759 172069676 /nfs/dbraw/zinc/06/96/76/172069676.db2.gz IGHWATOEAOUENV-OLZOCXBDSA-N 0 3 266.385 2.447 10 0 CEAEHN CNC(=O)[C@H](C)Oc1c2ccccc2ccc1[C@@H](C)N ZINC000035427238 172194914 /nfs/dbraw/zinc/19/49/14/172194914.db2.gz CLZBXRZYHMPSRL-MNOVXSKESA-N 0 3 272.348 2.373 10 0 CEAEHN CCCN(c1nc2sccn2c1CN)C(C)C ZINC000035430153 172198225 /nfs/dbraw/zinc/19/82/25/172198225.db2.gz QXAMSMGNFOEUJM-UHFFFAOYSA-N 0 3 252.387 2.479 10 0 CEAEHN CN[C@@H](C)c1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000035632789 172315350 /nfs/dbraw/zinc/31/53/50/172315350.db2.gz IJQGHBZEJWLOLB-JTQLQIEISA-N 0 3 270.398 2.044 10 0 CEAEHN CCN(C(C)C)S(=O)(=O)c1cccc([C@H](C)NC)c1 ZINC000035633747 172317275 /nfs/dbraw/zinc/31/72/75/172317275.db2.gz FYOWXEGKFRSCEK-LBPRGKRZSA-N 0 3 284.425 2.386 10 0 CEAEHN COCCOc1c(Cl)cc(Cl)cc1CN ZINC000035661821 172339658 /nfs/dbraw/zinc/33/96/58/172339658.db2.gz KIHZDBZTGOTXDL-UHFFFAOYSA-N 0 3 250.125 2.477 10 0 CEAEHN CNCc1cc(Cl)cc(Cl)c1OCCO ZINC000035662022 172340445 /nfs/dbraw/zinc/34/04/45/172340445.db2.gz LTTRENRXHTWDIS-UHFFFAOYSA-N 0 3 250.125 2.084 10 0 CEAEHN CC(C)N[C@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760624 172398453 /nfs/dbraw/zinc/39/84/53/172398453.db2.gz FBZLFVQKXUOOKK-JQWIXIFHSA-N 0 3 253.367 2.292 10 0 CEAEHN [NH3+]CCCN(C(=O)c1cccc([O-])c1)c1ccccc1 ZINC000037114685 172966387 /nfs/dbraw/zinc/96/63/87/172966387.db2.gz RUHJVRMHPIZBSC-UHFFFAOYSA-N 0 3 270.332 2.388 10 0 CEAEHN CN([C@@H](CN)c1cc(F)ccc1F)[C@H]1CCSC1 ZINC000037233644 173051993 /nfs/dbraw/zinc/05/19/93/173051993.db2.gz NUAYQQSJLGJUQD-GWCFXTLKSA-N 0 3 272.364 2.402 10 0 CEAEHN COC(=O)CCNCc1ccccc1OC(C)C ZINC000037252032 173063624 /nfs/dbraw/zinc/06/36/24/173063624.db2.gz YCXDNIFKLNGKIM-UHFFFAOYSA-N 0 3 251.326 2.127 10 0 CEAEHN O=S1(=O)CC[C@H](NCC2CCC2)c2ccccc21 ZINC000037253611 173064395 /nfs/dbraw/zinc/06/43/95/173064395.db2.gz DZQNTNZWJZRORQ-ZDUSSCGKSA-N 0 3 265.378 2.295 10 0 CEAEHN CCN(CC)CCNCc1c(OC)cc(OC)cc1OC ZINC000037374982 173164066 /nfs/dbraw/zinc/16/40/66/173164066.db2.gz CXBHCTAWJGLRLM-UHFFFAOYSA-N 0 3 296.411 2.144 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000037395303 173175328 /nfs/dbraw/zinc/17/53/28/173175328.db2.gz JBTCYBSKDLRNGJ-SECBINFHSA-N 0 3 298.770 2.438 10 0 CEAEHN CC(C)NCC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000037495138 173235129 /nfs/dbraw/zinc/23/51/29/173235129.db2.gz QHCOQLOAVPNVRC-WFASDCNBSA-N 0 3 252.402 2.412 10 0 CEAEHN NCc1cc(Cl)cc(Cl)c1O[C@H]1CCOC1=O ZINC000037711272 173631899 /nfs/dbraw/zinc/63/18/99/173631899.db2.gz XDDZULHLWIGRBA-VIFPVBQESA-N 0 3 276.119 2.146 10 0 CEAEHN CCOc1ccc([C@@](C)(N[C@H](C)CC)C(N)=O)cc1 ZINC000038065534 174076081 /nfs/dbraw/zinc/07/60/81/174076081.db2.gz WQURQEBPGUJGLL-IAQYHMDHSA-N 0 3 264.369 2.174 10 0 CEAEHN C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCCN1 ZINC000038100814 174115592 /nfs/dbraw/zinc/11/55/92/174115592.db2.gz SANQQWAREVLCPH-JQWIXIFHSA-N 0 3 264.394 2.336 10 0 CEAEHN C[C@@H]1c2ccsc2CCN1C(=O)[C@](C)(N)C1CC1 ZINC000038100929 174116407 /nfs/dbraw/zinc/11/64/07/174116407.db2.gz XCZBAWWPPJUPSK-YMTOWFKASA-N 0 3 264.394 2.321 10 0 CEAEHN OC[C@@H](NC1CC1)c1cccc(Br)c1 ZINC000038124277 174130708 /nfs/dbraw/zinc/13/07/08/174130708.db2.gz JFZVNVSHEJKGEH-LLVKDONJSA-N 0 3 256.143 2.235 10 0 CEAEHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1ccc(OC)cc1OC ZINC000040487200 174289451 /nfs/dbraw/zinc/28/94/51/174289451.db2.gz LBYPOBYWRSFYJY-HFAKWTLXSA-N 0 3 294.395 2.254 10 0 CEAEHN Cc1ccc(OC[C@@H](C)N[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000040499958 174296269 /nfs/dbraw/zinc/29/62/69/174296269.db2.gz UUOHLQMAQYHUHC-CABCVRRESA-N 0 3 290.407 2.363 10 0 CEAEHN CCN1CCC[C@@H](NCc2cccc3c2OCCO3)C1 ZINC000040502662 174299417 /nfs/dbraw/zinc/29/94/17/174299417.db2.gz YGMXGEQTAIRYQB-CQSZACIVSA-N 0 3 276.380 2.032 10 0 CEAEHN Cc1nc(C)c([C@@H](C)NC(=O)C2(N)CCCC2)s1 ZINC000040519122 174308390 /nfs/dbraw/zinc/30/83/90/174308390.db2.gz VMYFNVKBXALUIB-SECBINFHSA-N 0 3 267.398 2.209 10 0 CEAEHN CCCCc1ccc(NC(=O)[C@@H]2C[C@H](OC)CN2)cc1 ZINC000040631698 174358470 /nfs/dbraw/zinc/35/84/70/174358470.db2.gz UYIJREVVJBIEGA-GJZGRUSLSA-N 0 3 276.380 2.345 10 0 CEAEHN CO[C@H]1CN[C@H](c2nc(-c3c(F)cccc3F)c[nH]2)C1 ZINC000040637833 174361892 /nfs/dbraw/zinc/36/18/92/174361892.db2.gz UEMUOESJPWUXPK-KCJUWKMLSA-N 0 3 279.290 2.404 10 0 CEAEHN CC(C)CCOc1ccc(CNC(C)(C)C(N)=O)cc1 ZINC000040674342 174372614 /nfs/dbraw/zinc/37/26/14/174372614.db2.gz BDTWGTMFERZWHI-UHFFFAOYSA-N 0 3 278.396 2.465 10 0 CEAEHN CCc1ccc(Oc2ncnc(NN(C)C)c2N)cc1 ZINC000040760142 174396727 /nfs/dbraw/zinc/39/67/27/174396727.db2.gz UOZNLTQSJOLQBW-UHFFFAOYSA-N 0 3 273.340 2.302 10 0 CEAEHN CC(C)C[C@@H]1CO[C@@H](c2ccc(S(C)(=O)=O)cc2)CN1 ZINC000040797398 174408103 /nfs/dbraw/zinc/40/81/03/174408103.db2.gz FAVCCGXZCARSLJ-UKRRQHHQSA-N 0 3 297.420 2.166 10 0 CEAEHN CCCCOC[C@H](O)CN1C[C@H](CC)OC[C@@H]1CC ZINC000403727657 414768323 /nfs/dbraw/zinc/76/83/23/414768323.db2.gz ACFVZHCZQPVMKA-ZNMIVQPWSA-N 0 3 273.417 2.053 10 0 CEAEHN Fc1cccc(Cl)c1CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000404276191 414779184 /nfs/dbraw/zinc/77/91/84/414779184.db2.gz RYNSSRZULIIXLR-ZIAGYGMSSA-N 0 3 284.762 2.042 10 0 CEAEHN CC[C@@H](NC(=O)C(C)(C)N1CCNCC1)C1CCCCC1 ZINC000129728572 414812711 /nfs/dbraw/zinc/81/27/11/414812711.db2.gz XKWICOIGSCPPBJ-OAHLLOKOSA-N 0 3 295.471 2.145 10 0 CEAEHN CN(C(=O)c1cccc(Cl)c1F)[C@H](CN)C(F)(F)F ZINC000662984229 414818170 /nfs/dbraw/zinc/81/81/70/414818170.db2.gz IZXYOUYLFMPVBF-MRVPVSSYSA-N 0 3 298.667 2.441 10 0 CEAEHN C[C@H](C(=O)N(C)[C@@H](CN)C(F)(F)F)c1ccccc1 ZINC000662984033 414818192 /nfs/dbraw/zinc/81/81/92/414818192.db2.gz IMNFEVBDADNDNE-ONGXEEELSA-N 0 3 274.286 2.138 10 0 CEAEHN CN(C(=O)c1coc2ccccc21)[C@@H](CN)C(F)(F)F ZINC000662982950 414818414 /nfs/dbraw/zinc/81/84/14/414818414.db2.gz KAFWBSDMOBPTLM-NSHDSACASA-N 0 3 286.253 2.394 10 0 CEAEHN C[C@@H]1CCCC[C@H]1C(=O)N(C)[C@H](CN)C(F)(F)F ZINC000662987189 414819156 /nfs/dbraw/zinc/81/91/56/414819156.db2.gz RTDKZRXQUNRKSF-OPRDCNLKSA-N 0 3 266.307 2.161 10 0 CEAEHN O[C@@H]1CCCC[C@H]1NCc1cnccc1C(F)(F)F ZINC000663378898 414935835 /nfs/dbraw/zinc/93/58/35/414935835.db2.gz JKIIVZOOWDVTMV-VXGBXAGGSA-N 0 3 274.286 2.494 10 0 CEAEHN CC[C@@H]1C[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)CCO1 ZINC000248535840 287294551 /nfs/dbraw/zinc/29/45/51/287294551.db2.gz GQEPVXRANJYIOO-RBSFLKMASA-N 0 3 284.444 2.284 10 0 CEAEHN CN1C[C@H](CNCc2c(F)cccc2Cl)CC1=O ZINC000657693702 415049345 /nfs/dbraw/zinc/04/93/45/415049345.db2.gz GBCZXIPNSVGGII-VIFPVBQESA-N 0 3 270.735 2.047 10 0 CEAEHN COCCN(C(=O)Nc1cccc(CN)c1)[C@H](C)C1CC1 ZINC000042689873 174837893 /nfs/dbraw/zinc/83/78/93/174837893.db2.gz SXIDFUNQXMNTGW-GFCCVEGCSA-N 0 3 291.395 2.424 10 0 CEAEHN CCN[C@H](c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000043300986 175001708 /nfs/dbraw/zinc/00/17/08/175001708.db2.gz FWJJNIGWFWWCAS-MFKMUULPSA-N 0 3 287.812 2.425 10 0 CEAEHN COc1ccc([O-])c(C(=O)N(C)CC[C@H]2CCCC[NH2+]2)c1 ZINC000043327796 175009289 /nfs/dbraw/zinc/00/92/89/175009289.db2.gz AAHLJHBFLDIPCC-GFCCVEGCSA-N 0 3 292.379 2.005 10 0 CEAEHN COc1ccc([O-])c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000043334178 175010801 /nfs/dbraw/zinc/01/08/01/175010801.db2.gz JZNPRTGXHWSJEO-LBPRGKRZSA-N 0 3 294.395 2.107 10 0 CEAEHN CC[C@@H](N)[C@@H](c1ccco1)N(CCCOC)CCOC ZINC000043335996 175011705 /nfs/dbraw/zinc/01/17/05/175011705.db2.gz KTSAHNWWLKCUCD-HIFRSBDPSA-N 0 3 284.400 2.043 10 0 CEAEHN CC[C@H](N)[C@H](c1ccco1)N(CCOC)[C@@H](C)COC ZINC000043336209 175012251 /nfs/dbraw/zinc/01/22/51/175012251.db2.gz CMPPHGYFZYMJFC-KCQAQPDRSA-N 0 3 284.400 2.041 10 0 CEAEHN NC[C@H](Sc1nnnn1-c1ccccc1)c1ccco1 ZINC000043338291 175012675 /nfs/dbraw/zinc/01/26/75/175012675.db2.gz OXYWRFWMFIBKHQ-LBPRGKRZSA-N 0 3 287.348 2.047 10 0 CEAEHN C[C@H](N)[C@@H](c1ccccn1)N(CC(F)(F)F)C1CC1 ZINC000043341177 175015303 /nfs/dbraw/zinc/01/53/03/175015303.db2.gz HCZATDYWNLTTID-CABZTGNLSA-N 0 3 273.302 2.497 10 0 CEAEHN C[C@@H](N)[C@H](c1ccccn1)N(CC(F)(F)F)C1CC1 ZINC000043341183 175015476 /nfs/dbraw/zinc/01/54/76/175015476.db2.gz HCZATDYWNLTTID-BXKDBHETSA-N 0 3 273.302 2.497 10 0 CEAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N(CC)CC(=O)NC(C)C ZINC000043364986 175025363 /nfs/dbraw/zinc/02/53/63/175025363.db2.gz BNJATFIBMKIPRS-BBRMVZONSA-N 0 3 295.427 2.213 10 0 CEAEHN COCCN([C@H](c1ccc(C)o1)[C@@H](C)N)C1CC1 ZINC000043364911 175025572 /nfs/dbraw/zinc/02/55/72/175025572.db2.gz GEGAUGCNZZPDAT-RISCZKNCSA-N 0 3 252.358 2.087 10 0 CEAEHN CC[C@H](N)[C@H](c1ccc(C)o1)N(CC)CC(=O)NC(C)C ZINC000043364988 175025849 /nfs/dbraw/zinc/02/58/49/175025849.db2.gz BNJATFIBMKIPRS-XJKSGUPXSA-N 0 3 295.427 2.213 10 0 CEAEHN Cc1cc(C)cc([C@@H](CN)N2CCOC(C)(C)C2)c1 ZINC000043394182 175035063 /nfs/dbraw/zinc/03/50/63/175035063.db2.gz RSHHECKYMUPWOJ-OAHLLOKOSA-N 0 3 262.397 2.414 10 0 CEAEHN Cc1ccc(C(N)=S)c(N[C@H](CN(C)C)C(C)C)n1 ZINC000043396875 175036197 /nfs/dbraw/zinc/03/61/97/175036197.db2.gz AOVARFYHPRSDLK-GFCCVEGCSA-N 0 3 280.441 2.022 10 0 CEAEHN CN[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)c1 ZINC000043811336 175110107 /nfs/dbraw/zinc/11/01/07/175110107.db2.gz LFDBERLTUQFCTF-ZENOOKHLSA-N 0 3 278.396 2.065 10 0 CEAEHN CCCN(C)C[C@@H](NC)c1ccc(OC)cc1OC ZINC000043885812 175117193 /nfs/dbraw/zinc/11/71/93/175117193.db2.gz BFNUOPMORARIOA-CQSZACIVSA-N 0 3 266.385 2.306 10 0 CEAEHN CCN[C@@H](CN1CCOC[C@@H]1CC)c1ccccc1OC ZINC000043899156 175121839 /nfs/dbraw/zinc/12/18/39/175121839.db2.gz DORQMTPVZTYFMR-HOCLYGCPSA-N 0 3 292.423 2.457 10 0 CEAEHN CCCN[C@H]1c2ccccc2OC[C@H]1N(C)CCOC ZINC000043916488 175125648 /nfs/dbraw/zinc/12/56/48/175125648.db2.gz KNWLTGYDKZLYIJ-ZBFHGGJFSA-N 0 3 278.396 2.067 10 0 CEAEHN CN[C@H](CN(CCOC)C1CC1)c1cc(C)ccc1OC ZINC000043969753 175131157 /nfs/dbraw/zinc/13/11/57/175131157.db2.gz DKAYYYGDEQHYMS-MRXNPFEDSA-N 0 3 292.423 2.375 10 0 CEAEHN CC1CCC(NC(=O)[C@H](CN)Cc2ccccc2)CC1 ZINC000044796563 175254734 /nfs/dbraw/zinc/25/47/34/175254734.db2.gz VSXPUACAYXCOFD-SIWZUTFBSA-N 0 3 274.408 2.499 10 0 CEAEHN CCN(CC(C)C)C(=O)[C@@H](CN)Cc1ccccc1 ZINC000044800610 175255641 /nfs/dbraw/zinc/25/56/41/175255641.db2.gz LFCGEPISEFBNAH-OAHLLOKOSA-N 0 3 262.397 2.309 10 0 CEAEHN CC(C)C[C@H]1CSC(NCc2cnn(C)c2)=N1 ZINC000045136099 175313236 /nfs/dbraw/zinc/31/32/36/175313236.db2.gz YAIQIGHJQFEPSE-NSHDSACASA-N 0 3 252.387 2.027 10 0 CEAEHN CCn1nc(C)c([C@H](C)N[C@@H]2CCN(C3CC3)C2)c1C ZINC000045172778 175322479 /nfs/dbraw/zinc/32/24/79/175322479.db2.gz QJLGGUQMFLZATF-SMDDNHRTSA-N 0 3 276.428 2.407 10 0 CEAEHN CCCCN(CC)C[C@](C)(NCCC)C(=O)OCC ZINC000045223302 175331258 /nfs/dbraw/zinc/33/12/58/175331258.db2.gz FOBFMTKDXZHAPI-HNNXBMFYSA-N 0 3 272.433 2.430 10 0 CEAEHN CCN[C@](C)(CCN(CC)c1ccccc1C)C(N)=O ZINC000045223098 175331466 /nfs/dbraw/zinc/33/14/66/175331466.db2.gz SOPDHOZFEYUJIN-MRXNPFEDSA-N 0 3 277.412 2.065 10 0 CEAEHN CCN(C[C@@](NC)(C(=O)OC)c1ccccc1)C(C)C ZINC000045265387 175338293 /nfs/dbraw/zinc/33/82/93/175338293.db2.gz RHPDWFJNYIBDJQ-INIZCTEOSA-N 0 3 278.396 2.005 10 0 CEAEHN CCCN[C@@](CN(CC)CCC)(C(N)=O)c1ccccc1 ZINC000045267469 175339547 /nfs/dbraw/zinc/33/95/47/175339547.db2.gz GMSNNYZNSWZQMJ-QGZVFWFLSA-N 0 3 291.439 2.099 10 0 CEAEHN COC(=O)[C@@](N)(CN(C)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000045274640 175344959 /nfs/dbraw/zinc/34/49/59/175344959.db2.gz QLNVBQBTZVBFTD-SUMWQHHRSA-N 0 3 292.423 2.380 10 0 CEAEHN CCN[C@](C)(CCN1CCC(CC)CC1)C(=O)OC ZINC000045281450 175352271 /nfs/dbraw/zinc/35/22/71/175352271.db2.gz OUKDMPIJKZOBPH-OAHLLOKOSA-N 0 3 270.417 2.040 10 0 CEAEHN CCCN[C@](C)(CN(C)CC1CCCCC1)C(=O)OC ZINC000045281569 175352409 /nfs/dbraw/zinc/35/24/09/175352409.db2.gz PQGPKNIMAVIKQW-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCN[C@@H](CN1[C@@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045379483 175368493 /nfs/dbraw/zinc/36/84/93/175368493.db2.gz XJFWUYAYRJHTPZ-IHRRRGAJSA-N 0 3 270.417 2.181 10 0 CEAEHN COCCNCc1cc(Cl)ccc1O[C@@H](C)COC ZINC000070375770 175899241 /nfs/dbraw/zinc/89/92/41/175899241.db2.gz XMIUDYKMQQGFFC-NSHDSACASA-N 0 3 287.787 2.490 10 0 CEAEHN CNCc1ccn(Cc2cccc(Br)c2)n1 ZINC000070708947 176002851 /nfs/dbraw/zinc/00/28/51/176002851.db2.gz IYAVBLVMWNQIED-UHFFFAOYSA-N 0 3 280.169 2.413 10 0 CEAEHN N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccc2ncccc2c1 ZINC000070987270 176018481 /nfs/dbraw/zinc/01/84/81/176018481.db2.gz XBYYVNCGAAUONO-YOEHRIQHSA-N 0 3 281.359 2.388 10 0 CEAEHN CCc1cccc(C)c1N1CC[C@@H](NC2CC2)C1=O ZINC000071035857 176025617 /nfs/dbraw/zinc/02/56/17/176025617.db2.gz SOIKKKGETDARPO-CQSZACIVSA-N 0 3 258.365 2.415 10 0 CEAEHN CC(C)N[C@@H]1CCN(c2cccc3cccnc32)C1=O ZINC000071037584 176026512 /nfs/dbraw/zinc/02/65/12/176026512.db2.gz ZOGKMTBYQSAIFA-CYBMUJFWSA-N 0 3 269.348 2.338 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1Cc1ccc(Cl)cc1 ZINC000071038660 176027117 /nfs/dbraw/zinc/02/71/17/176027117.db2.gz FSKMHZWSWJAKTO-CYBMUJFWSA-N 0 3 264.756 2.193 10 0 CEAEHN CCCOc1ccc(N2CCC[C@H](NC)C2=O)cc1 ZINC000071041905 176027942 /nfs/dbraw/zinc/02/79/42/176027942.db2.gz REAHQHHKEJQDFZ-AWEZNQCLSA-N 0 3 262.353 2.190 10 0 CEAEHN O=C1[C@@H](NC2CC2)CCCN1c1ccc2ncccc2c1 ZINC000071042581 176028458 /nfs/dbraw/zinc/02/84/58/176028458.db2.gz FLHKYVGVFQPHOF-INIZCTEOSA-N 0 3 281.359 2.482 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1[C@H]1CCc2ccccc2C1 ZINC000071041976 176028481 /nfs/dbraw/zinc/02/84/81/176028481.db2.gz DQADALZXGMWKSR-DLBZAZTESA-N 0 3 284.403 2.287 10 0 CEAEHN O=C1[C@H](NC2CC2)CCCN1[C@@H]1CCc2ccccc2C1 ZINC000071041978 176028483 /nfs/dbraw/zinc/02/84/83/176028483.db2.gz DQADALZXGMWKSR-IAGOWNOFSA-N 0 3 284.403 2.287 10 0 CEAEHN O=C1[C@H](NC2CC2)CCN1Cc1cccc(Cl)c1 ZINC000071042468 176028706 /nfs/dbraw/zinc/02/87/06/176028706.db2.gz IQLQXVQULNZZNV-CYBMUJFWSA-N 0 3 264.756 2.193 10 0 CEAEHN C[C@H](Cc1cccs1)N1CCC[C@H](NC2CC2)C1=O ZINC000071043837 176029593 /nfs/dbraw/zinc/02/95/93/176029593.db2.gz ADJPGVBMMQLLPY-RISCZKNCSA-N 0 3 278.421 2.422 10 0 CEAEHN CC[C@@H]1CCC[C@@H](O[C@@H](CN)c2cnn(C)c2)C1 ZINC000071130592 176036000 /nfs/dbraw/zinc/03/60/00/176036000.db2.gz AWTVCQRTOQJJIB-BNOWGMLFSA-N 0 3 251.374 2.405 10 0 CEAEHN C[C@H]1CCC[C@@H](N2CCN(C(C)(C)C(N)=S)CC2)C1 ZINC000071148300 176044061 /nfs/dbraw/zinc/04/40/61/176044061.db2.gz SKGSLTRGDRHGNU-QWHCGFSZSA-N 0 3 283.485 2.247 10 0 CEAEHN NCc1cnc(O[C@H]2CCCc3ccccc32)cn1 ZINC000071178317 176055856 /nfs/dbraw/zinc/05/58/56/176055856.db2.gz VGEAJZFMVHVEKH-AWEZNQCLSA-N 0 3 255.321 2.392 10 0 CEAEHN C[C@@H]1CCC[C@H]1N[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000071207040 176080601 /nfs/dbraw/zinc/08/06/01/176080601.db2.gz LQCRLCZCYSJLSB-MRVWCRGKSA-N 0 3 272.348 2.097 10 0 CEAEHN Cc1ncsc1CNC[C@@H]1CNc2ccccc2O1 ZINC000071213742 176085421 /nfs/dbraw/zinc/08/54/21/176085421.db2.gz MCBRIKNANDDFHZ-LLVKDONJSA-N 0 3 275.377 2.414 10 0 CEAEHN CCCNC(=O)[C@H](C)Oc1ccc(C)cc1CNCC ZINC000071406049 176155778 /nfs/dbraw/zinc/15/57/78/176155778.db2.gz XMUIXYSZHGDHFT-ZDUSSCGKSA-N 0 3 278.396 2.398 10 0 CEAEHN Cc1ccc(O[C@H]2CCOC2=O)c(CNC(C)C)c1 ZINC000071406603 176155919 /nfs/dbraw/zinc/15/59/19/176155919.db2.gz GBXSUZDGAZUSRD-AWEZNQCLSA-N 0 3 263.337 2.187 10 0 CEAEHN CO[C@@](C)(CN)c1cc(Br)cs1 ZINC000071571767 176197522 /nfs/dbraw/zinc/19/75/22/176197522.db2.gz FLKBRCFBJQACHV-QMMMGPOBSA-N 0 3 250.161 2.331 10 0 CEAEHN CN[C@@H](C(=O)c1ccc(OC)cc1OC)C(C)C ZINC000071573116 176199805 /nfs/dbraw/zinc/19/98/05/176199805.db2.gz KGJALICRJFBRAI-CYBMUJFWSA-N 0 3 251.326 2.131 10 0 CEAEHN NCc1ccc(-c2cc(Br)cs2)nn1 ZINC000071601257 176228300 /nfs/dbraw/zinc/22/83/00/176228300.db2.gz BUJZUNHFXHMTFX-UHFFFAOYSA-N 0 3 270.155 2.426 10 0 CEAEHN Nc1nccc([C@H]2CCCN2CCc2ccccc2)n1 ZINC000072363748 176378512 /nfs/dbraw/zinc/37/85/12/176378512.db2.gz WYJPSJHXFXQPFN-OAHLLOKOSA-N 0 3 268.364 2.438 10 0 CEAEHN O[C@]12CCCC[C@H]1CN(CCO[C@@H]1CC1(F)F)CC2 ZINC000660013188 415851283 /nfs/dbraw/zinc/85/12/83/415851283.db2.gz POHWOEAFWQGZDQ-XQQFMLRXSA-N 0 3 275.339 2.038 10 0 CEAEHN COc1cc([C@H](CN)N(C)C2CC2)c(OC)cc1C ZINC000076368656 177005720 /nfs/dbraw/zinc/00/57/20/177005720.db2.gz BKGIOYNHLSJTDD-ZDUSSCGKSA-N 0 3 264.369 2.106 10 0 CEAEHN CNCc1cn2cc(Br)cc(Cl)c2n1 ZINC000076793025 177097951 /nfs/dbraw/zinc/09/79/51/177097951.db2.gz BDHBIOSHZJJOPW-UHFFFAOYSA-N 0 3 274.549 2.470 10 0 CEAEHN CC(C)C[C@H](O)C1CCN(Cc2cnc[nH]2)CC1 ZINC000077344002 177254495 /nfs/dbraw/zinc/25/44/95/177254495.db2.gz DTBUBHRBCIWKKR-AWEZNQCLSA-N 0 3 251.374 2.029 10 0 CEAEHN Cc1cccc(OCC(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000078614229 177360179 /nfs/dbraw/zinc/36/01/79/177360179.db2.gz UFSKVVHMKHYLQZ-HNNXBMFYSA-N 0 3 292.423 2.466 10 0 CEAEHN CCOCCn1ccc2cc(CNCCOC)ccc21 ZINC000080079036 177605194 /nfs/dbraw/zinc/60/51/94/177605194.db2.gz YZLSZPXLULMBKG-UHFFFAOYSA-N 0 3 276.380 2.414 10 0 CEAEHN COCCNCc1cnn(CCC(C)(C)C)c1C ZINC000080087117 177605633 /nfs/dbraw/zinc/60/56/33/177605633.db2.gz PHLQBRJWGMFFHC-UHFFFAOYSA-N 0 3 253.390 2.364 10 0 CEAEHN CNC(=O)[C@H]1C[C@@H](c2ccc(OC(C)C)cc2)CCN1 ZINC000080099740 177607272 /nfs/dbraw/zinc/60/72/72/177607272.db2.gz AHKLUIBXODXIPF-DZGCQCFKSA-N 0 3 276.380 2.055 10 0 CEAEHN COC[C@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187174802 292991987 /nfs/dbraw/zinc/99/19/87/292991987.db2.gz UNCKVXMCTGBXNQ-YDHLFZDLSA-N 0 3 278.396 2.077 10 0 CEAEHN CCCCOC[C@@H](O)CN(C)[C@@H](C)c1ccco1 ZINC000195172722 262247524 /nfs/dbraw/zinc/24/75/24/262247524.db2.gz PTDAIKUPSJEKFD-STQMWFEESA-N 0 3 255.358 2.450 10 0 CEAEHN C[C@H]1CN(C(=O)Nc2cccc(CN(C)C)c2)C[C@H](C)O1 ZINC000044293073 270229302 /nfs/dbraw/zinc/22/93/02/270229302.db2.gz GCPZTFOXILATOJ-STQMWFEESA-N 0 3 291.395 2.389 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)CCOCc2ccccc2)C1 ZINC000193687610 270288262 /nfs/dbraw/zinc/28/82/62/270288262.db2.gz RKHLEUKZROWBHW-MRXNPFEDSA-N 0 3 290.407 2.194 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)Nc2ccccc2COC)C1 ZINC000194339830 270296566 /nfs/dbraw/zinc/29/65/66/270296566.db2.gz DOBZZIGKAPCHOE-CQSZACIVSA-N 0 3 291.395 2.439 10 0 CEAEHN O=C1C[C@H](CNCc2cc(Cl)sc2Cl)CN1 ZINC000398463380 270358565 /nfs/dbraw/zinc/35/85/65/270358565.db2.gz SRBGBHZNJQVEGD-ZCFIWIBFSA-N 0 3 279.192 2.281 10 0 CEAEHN Cc1nc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)sc1C ZINC000398708683 270360909 /nfs/dbraw/zinc/36/09/09/270360909.db2.gz BWRMCDXXDSODPG-AVGNSLFASA-N 0 3 266.410 2.353 10 0 CEAEHN Cc1nc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)sc1C ZINC000398708696 270361529 /nfs/dbraw/zinc/36/15/29/270361529.db2.gz BWRMCDXXDSODPG-YNEHKIRRSA-N 0 3 266.410 2.353 10 0 CEAEHN CCOC(=O)c1c(N)sc2c1C[C@@H]1CC[C@H]2N1C ZINC000020523841 276296848 /nfs/dbraw/zinc/29/68/48/276296848.db2.gz JHDBJDHHIRRQPX-IONNQARKSA-N 0 3 266.366 2.198 10 0 CEAEHN CN1c2ccccc2[C@H](NC[C@@H]2CCCCO2)CC1=O ZINC000042817216 277218940 /nfs/dbraw/zinc/21/89/40/277218940.db2.gz VBVKEHKPYFGXAG-GXTWGEPZSA-N 0 3 274.364 2.253 10 0 CEAEHN C[C@H](N[C@@H]1CC(=O)N(C)c2ccccc21)[C@@H]1CCOC1 ZINC000132030148 278269602 /nfs/dbraw/zinc/26/96/02/278269602.db2.gz CTCOXOUAGGCWEE-OUCADQQQSA-N 0 3 274.364 2.109 10 0 CEAEHN CCN1CCC[C@@H](NC(=O)/C=C/c2ncccc2C)C1 ZINC000183546523 280113980 /nfs/dbraw/zinc/11/39/80/280113980.db2.gz RLCABZVXAFBYCP-MYSGNRETSA-N 0 3 273.380 2.004 10 0 CEAEHN CC(C)[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000245873669 280218403 /nfs/dbraw/zinc/21/84/03/280218403.db2.gz AGPQZHLSJVPPLI-BFHYXJOUSA-N 0 3 267.417 2.157 10 0 CEAEHN Cc1cnn(CCNCc2ccc3cc[nH]c3c2)c1 ZINC000236009262 280221380 /nfs/dbraw/zinc/22/13/80/280221380.db2.gz IDIANKNCVLFRBY-UHFFFAOYSA-N 0 3 254.337 2.463 10 0 CEAEHN CCN1CCC[C@H](NC(=O)N2C[C@H]3CCCC[C@@H]3C2)C1 ZINC000246744246 280308551 /nfs/dbraw/zinc/30/85/51/280308551.db2.gz WUHKNNSBWYUASV-KFWWJZLASA-N 0 3 279.428 2.302 10 0 CEAEHN Cc1cccc([C@H](C)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000247477971 280331040 /nfs/dbraw/zinc/33/10/40/280331040.db2.gz JWASDLMCDKHBCM-XHSDSOJGSA-N 0 3 276.424 2.443 10 0 CEAEHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccnn2C)C12CCOCC2 ZINC000248877791 280371089 /nfs/dbraw/zinc/37/10/89/280371089.db2.gz JVYUTHWQFXXKDE-VHDGCEQUSA-N 0 3 293.411 2.045 10 0 CEAEHN COc1cnccc1[C@H](C)N[C@@H]1CCCC[C@H]1O ZINC000248998299 280378714 /nfs/dbraw/zinc/37/87/14/280378714.db2.gz NIKSNQLSKSHPSV-CYZMBNFOSA-N 0 3 250.342 2.044 10 0 CEAEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCOCC(F)(F)F ZINC000083704439 288294269 /nfs/dbraw/zinc/29/42/69/288294269.db2.gz IUDHUKUHCBPHOW-VXGBXAGGSA-N 0 3 280.334 2.124 10 0 CEAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1ccc(F)cn1 ZINC000271608869 290005813 /nfs/dbraw/zinc/00/58/13/290005813.db2.gz VLWPTGQMPXMCEE-COPLHBTASA-N 0 3 252.333 2.422 10 0 CEAEHN Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@@H](O)COC(C)(C)C ZINC000245630379 293120710 /nfs/dbraw/zinc/12/07/10/293120710.db2.gz ZRWOVEYSSDXVGG-ZIAGYGMSSA-N 0 3 295.427 2.339 10 0 CEAEHN C[C@@H]1C[C@H](C(=O)N2CCO[C@@H](CN(C)C)C2)CC(C)(C)C1 ZINC000248549085 297329915 /nfs/dbraw/zinc/32/99/15/297329915.db2.gz KBCPZHQOQCXMLR-ILXRZTDVSA-N 0 3 296.455 2.238 10 0 CEAEHN C[C@@H]1CCC[C@@H](CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170833700 312664979 /nfs/dbraw/zinc/66/49/79/312664979.db2.gz AARAHJQYKIFCQD-MCIONIFRSA-N 0 3 267.417 2.158 10 0 CEAEHN COc1cc(C)c(NC(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000186719669 321752595 /nfs/dbraw/zinc/75/25/95/321752595.db2.gz WDFXFEVLGVTDIH-NSHDSACASA-N 0 3 295.358 2.311 10 0 CEAEHN CC(C)(C)OC(=O)N1CCC[C@@]1(C(=N)N)C(F)(F)F ZINC000536959674 330383996 /nfs/dbraw/zinc/38/39/96/330383996.db2.gz RMCYHBHCTLQMNR-SNVBAGLBSA-N 0 3 281.278 2.254 10 0 CEAEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(N)nc(Cl)c1 ZINC000050707870 519337700 /nfs/dbraw/zinc/33/77/00/519337700.db2.gz ZTQONWXAJIABMQ-LLVKDONJSA-N 0 3 298.818 2.023 10 0 CEAEHN CC(C)C[NH+](CC[C@@H](NC(C)C)C(=O)[O-])CC(C)C ZINC000062454410 519717100 /nfs/dbraw/zinc/71/71/00/519717100.db2.gz DRMONTFDIIWOFN-CQSZACIVSA-N 0 3 272.433 2.442 10 0 CEAEHN CC(C)CN1CCN(CC2(CO)CCCCC2)CC1 ZINC000055082267 519725448 /nfs/dbraw/zinc/72/54/48/519725448.db2.gz PWIRZGZJJVBFKK-UHFFFAOYSA-N 0 3 268.445 2.203 10 0 CEAEHN CC(C)NCc1cnn(CCCOCC(F)(F)F)c1 ZINC000054719785 519728403 /nfs/dbraw/zinc/72/84/03/519728403.db2.gz NOMHPBFGCNNUHT-UHFFFAOYSA-N 0 3 279.306 2.350 10 0 CEAEHN CC(C)CNCc1cccc(N2CCOC[C@H]2C)n1 ZINC000051443966 519747500 /nfs/dbraw/zinc/74/75/00/519747500.db2.gz ZGTTXCVQPBEIQD-CYBMUJFWSA-N 0 3 263.385 2.052 10 0 CEAEHN CC(C)[C@H](CN(C)C)NC(=O)c1cc(N)ccc1Cl ZINC000049191843 519814280 /nfs/dbraw/zinc/81/42/80/519814280.db2.gz QVZVVLJPJLSORP-ZDUSSCGKSA-N 0 3 283.803 2.238 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1ccccc1C(=O)OCC ZINC000061298658 519908243 /nfs/dbraw/zinc/90/82/43/519908243.db2.gz NPANPDNLUWNCCP-UHFFFAOYSA-N 0 3 278.352 2.190 10 0 CEAEHN CCNCCS(=O)(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000049640662 519924670 /nfs/dbraw/zinc/92/46/70/519924670.db2.gz CHWVQVSROGYUNB-UHFFFAOYSA-N 0 3 284.425 2.335 10 0 CEAEHN CCCNCc1ccoc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000052380288 519958167 /nfs/dbraw/zinc/95/81/67/519958167.db2.gz OFSFYJHELDVIDD-BETUJISGSA-N 0 3 266.385 2.388 10 0 CEAEHN CCNCc1cc(CN2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC000052380843 519991919 /nfs/dbraw/zinc/99/19/19/519991919.db2.gz RUHACQAGJRSBLR-VXGBXAGGSA-N 0 3 266.385 2.307 10 0 CEAEHN CCNCc1cc(CN2CCOC[C@H]2CC)oc1C ZINC000052481441 519991992 /nfs/dbraw/zinc/99/19/92/519991992.db2.gz ALPIGCHCTDEPCF-CQSZACIVSA-N 0 3 266.385 2.308 10 0 CEAEHN CCN[C@@H](CC[N@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439108 520086581 /nfs/dbraw/zinc/08/65/81/520086581.db2.gz CAUUBOGHYJEWGV-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCN[C@@H](CC[N@@H+](CC)C1CCCCC1)C(=O)[O-] ZINC000062439108 520086584 /nfs/dbraw/zinc/08/65/84/520086584.db2.gz CAUUBOGHYJEWGV-ZDUSSCGKSA-N 0 3 256.390 2.094 10 0 CEAEHN CCCN[C@H](Cc1ccc(Cl)cc1)CS(C)(=O)=O ZINC000052789170 520086784 /nfs/dbraw/zinc/08/67/84/520086784.db2.gz XJNUZNPOEXEDAB-CYBMUJFWSA-N 0 3 289.828 2.295 10 0 CEAEHN CCCN[C@](C)(CSCc1cccc(C)c1)C(N)=O ZINC000054966385 520109791 /nfs/dbraw/zinc/10/97/91/520109791.db2.gz RPAIPRYPXVKEKR-OAHLLOKOSA-N 0 3 280.437 2.472 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1cccc(C)c1C)C(N)=O ZINC000068655475 520141791 /nfs/dbraw/zinc/14/17/91/520141791.db2.gz NGZZNLWNRSWKET-WBMJQRKESA-N 0 3 278.396 2.314 10 0 CEAEHN CCN[C@@](C)(C[C@H](C)Oc1ccc(CC)cc1)C(N)=O ZINC000068655637 520147502 /nfs/dbraw/zinc/14/75/02/520147502.db2.gz QZDHWDAQSUIGPJ-LRDDRELGSA-N 0 3 278.396 2.260 10 0 CEAEHN CCN[C@H](C)c1cnc(N(C)[C@@H](C)COC)s1 ZINC000054906776 520181833 /nfs/dbraw/zinc/18/18/33/520181833.db2.gz WKYUNTCQFPLPNN-VHSXEESVSA-N 0 3 257.403 2.285 10 0 CEAEHN CCN[C@H](CCN1CCC(C)(C)CC1)C(=O)OCC ZINC000062532951 520189097 /nfs/dbraw/zinc/18/90/97/520189097.db2.gz UTGCXMMGBNXIFC-CYBMUJFWSA-N 0 3 270.417 2.040 10 0 CEAEHN CC1(C)COCCN1c1ncc(CNC2CC2)s1 ZINC000054909168 520510467 /nfs/dbraw/zinc/51/04/67/520510467.db2.gz CUAVBGGHEBHRRH-UHFFFAOYSA-N 0 3 267.398 2.010 10 0 CEAEHN CCC(C)(C)NC(=O)[C@H](C)N[C@H](C)CN1CCCCC1 ZINC000049501644 521343085 /nfs/dbraw/zinc/34/30/85/521343085.db2.gz WVQBQSWOPWYSNU-KGLIPLIRSA-N 0 3 283.460 2.144 10 0 CEAEHN CCCc1nc(N2CCOC[C@H]2CC)sc1CN ZINC000054997903 521534106 /nfs/dbraw/zinc/53/41/06/521534106.db2.gz MUWCTYSIIWYQOE-SNVBAGLBSA-N 0 3 269.414 2.170 10 0 CEAEHN CCN1CCC(N(C)c2c(F)cc(CO)cc2F)CC1 ZINC000062722304 521566098 /nfs/dbraw/zinc/56/60/98/521566098.db2.gz WCHHGLAWHDEBOG-UHFFFAOYSA-N 0 3 284.350 2.378 10 0 CEAEHN CCCN(CC(N)=S)Cc1ccc(F)cc1F ZINC000050884876 521595477 /nfs/dbraw/zinc/59/54/77/521595477.db2.gz HZVBLTIRNAGUPY-UHFFFAOYSA-N 0 3 258.337 2.463 10 0 CEAEHN CCCn1cc([C@H](N)Cc2nc(C)cs2)cn1 ZINC000055267706 521655890 /nfs/dbraw/zinc/65/58/90/521655890.db2.gz VVGJAQHTPYZDQF-LLVKDONJSA-N 0 3 250.371 2.301 10 0 CEAEHN CCCN(CCN(C)C)c1c(F)cc(CO)cc1F ZINC000062722354 521658476 /nfs/dbraw/zinc/65/84/76/521658476.db2.gz MWFAKITVTQSTEU-UHFFFAOYSA-N 0 3 272.339 2.235 10 0 CEAEHN CNCc1cc(CN(C)[C@H]2CCC[C@@H](C)C2)on1 ZINC000052513704 522103864 /nfs/dbraw/zinc/10/38/64/522103864.db2.gz WYWJVPSYPBMEEI-YPMHNXCESA-N 0 3 251.374 2.405 10 0 CEAEHN CC[C@@H](C)NC(=O)COc1cc(F)ccc1[C@H](C)N ZINC000062745908 522168402 /nfs/dbraw/zinc/16/84/02/522168402.db2.gz YRXICYFNJXOIFJ-ZJUUUORDSA-N 0 3 268.332 2.139 10 0 CEAEHN Cc1ccc(CN(C)C)cc1NC(=O)C[C@H](O)C(C)C ZINC000161940590 533867909 /nfs/dbraw/zinc/86/79/09/533867909.db2.gz CAOFDSTVYHUIKO-HNNXBMFYSA-N 0 3 278.396 2.402 10 0 CEAEHN CN[C@](CSc1ccc(C)cc1C)(C(N)=O)C1CC1 ZINC000069186649 522532711 /nfs/dbraw/zinc/53/27/11/522532711.db2.gz NZFMLNAPENEEJW-HNNXBMFYSA-N 0 3 278.421 2.249 10 0 CEAEHN COc1cc(Cl)ccc1C(=O)N1[C@H](C)CNC[C@H]1C ZINC000069133025 522546061 /nfs/dbraw/zinc/54/60/61/522546061.db2.gz PCVJNXJWQYLSFF-NXEZZACHSA-N 0 3 282.771 2.171 10 0 CEAEHN CC(C)C[C@H]1CSC(N[C@@H](C)Cn2ccnc2)=N1 ZINC000049236458 519417501 /nfs/dbraw/zinc/41/75/01/519417501.db2.gz XKKDHVLQMVYBJN-RYUDHWBXSA-N 0 3 266.414 2.379 10 0 CEAEHN CC(C)CCNC(=O)[C@H](C)N[C@H](CC(C)C)CN(C)C ZINC000049555871 519660635 /nfs/dbraw/zinc/66/06/35/519660635.db2.gz VINVOPJPYFQBRQ-LSDHHAIUSA-N 0 3 285.476 2.103 10 0 CEAEHN CC(C)NCCS(=O)(=O)N(Cc1ccccc1)C(C)C ZINC000049641262 519722301 /nfs/dbraw/zinc/72/23/01/519722301.db2.gz TYPZEEAGNWSRTH-UHFFFAOYSA-N 0 3 298.452 2.225 10 0 CEAEHN CC(C)[NH2+]CCS(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000049641593 519722374 /nfs/dbraw/zinc/72/23/74/519722374.db2.gz VHPZJBUXQRGMIX-UHFFFAOYSA-N 0 3 276.789 2.080 10 0 CEAEHN CC(C)CN1CCN(CCNc2ccccc2)CC1 ZINC000055075821 519726048 /nfs/dbraw/zinc/72/60/48/519726048.db2.gz VDLYOAPYGKKQFY-UHFFFAOYSA-N 0 3 261.413 2.372 10 0 CEAEHN CC(C)CN1CCN(Cc2cccc(C(N)=S)c2)CC1 ZINC000055079503 519727190 /nfs/dbraw/zinc/72/71/90/519727190.db2.gz MTBUZHIITKCCSJ-UHFFFAOYSA-N 0 3 291.464 2.094 10 0 CEAEHN CC(C)NCc1occc1COC[C@@H]1CCCO1 ZINC000052626004 519730160 /nfs/dbraw/zinc/73/01/60/519730160.db2.gz WLSTZSZHWGSFGC-ZDUSSCGKSA-N 0 3 253.342 2.473 10 0 CEAEHN CC(C)CNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)N ZINC000062745666 519739128 /nfs/dbraw/zinc/73/91/28/519739128.db2.gz LOZQZUUVRNEGDZ-GHMZBOCLSA-N 0 3 282.359 2.385 10 0 CEAEHN CC(C)CNCc1cc(Cl)ccc1O[C@@H](C)C(N)=O ZINC000062730898 519746765 /nfs/dbraw/zinc/74/67/65/519746765.db2.gz HMXDEMSDRQOWFZ-JTQLQIEISA-N 0 3 284.787 2.338 10 0 CEAEHN CC(C)CNCc1cccc(N2CCSCC2)n1 ZINC000051437884 519747514 /nfs/dbraw/zinc/74/75/14/519747514.db2.gz OKOCTZDAFJMMIS-UHFFFAOYSA-N 0 3 265.426 2.380 10 0 CEAEHN CCCN1CCN(c2nc3c(s2)[C@H](N)CCC3)CC1 ZINC000054863936 519860866 /nfs/dbraw/zinc/86/08/66/519860866.db2.gz BGZNYEMOZJIVQG-LLVKDONJSA-N 0 3 280.441 2.011 10 0 CEAEHN CCCC1CCN(C[C@@H](NC(C)C)C(=O)OC)CC1 ZINC000050905886 519901522 /nfs/dbraw/zinc/90/15/22/519901522.db2.gz CUNJMRPFIFFLPZ-CQSZACIVSA-N 0 3 270.417 2.038 10 0 CEAEHN CCCC1CCN(C[C@@H](NC2CC2)C(=O)OCC)CC1 ZINC000050905902 519901547 /nfs/dbraw/zinc/90/15/47/519901547.db2.gz MKSZBJNKURVUAD-OAHLLOKOSA-N 0 3 282.428 2.182 10 0 CEAEHN CCNC(C)(C)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000061290462 519906562 /nfs/dbraw/zinc/90/65/62/519906562.db2.gz YCXOHOFNORHQLS-UHFFFAOYSA-N 0 3 298.770 2.438 10 0 CEAEHN CC(C)n1cc(N)cc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000049500480 519962302 /nfs/dbraw/zinc/96/23/02/519962302.db2.gz JPHHNJPQHJAGDY-ZDUSSCGKSA-N 0 3 292.427 2.255 10 0 CEAEHN CCNCc1c(C)nn(C)c1N1Cc2ccccc2C1 ZINC000050911766 519984384 /nfs/dbraw/zinc/98/43/84/519984384.db2.gz POFRBAIHTARKMV-UHFFFAOYSA-N 0 3 270.380 2.358 10 0 CEAEHN CCNCc1cc(C)ccc1OCCCC(=O)NC ZINC000068817045 519984429 /nfs/dbraw/zinc/98/44/29/519984429.db2.gz ZIEIABZWRSYXJR-UHFFFAOYSA-N 0 3 264.369 2.010 10 0 CEAEHN CCNCc1cc(Cl)ccc1OCCCC(=O)NC ZINC000068816182 519990574 /nfs/dbraw/zinc/99/05/74/519990574.db2.gz CQXCVPKMGDJVEI-UHFFFAOYSA-N 0 3 284.787 2.355 10 0 CEAEHN CCNCc1cc(CN2CCOC[C@@H]2CC)c(C)o1 ZINC000052481630 519990911 /nfs/dbraw/zinc/99/09/11/519990911.db2.gz DHQPUXVYUPGRCO-AWEZNQCLSA-N 0 3 266.385 2.308 10 0 CEAEHN CCCN[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000062365963 519991586 /nfs/dbraw/zinc/99/15/86/519991586.db2.gz NKTTUOKYXKGHNV-VIFPVBQESA-N 0 3 261.325 2.395 10 0 CEAEHN CCNCc1ccc(CN(CC)[C@H](C)COC)o1 ZINC000052504793 519994714 /nfs/dbraw/zinc/99/47/14/519994714.db2.gz RNWAOZREJWQSEP-GFCCVEGCSA-N 0 3 254.374 2.246 10 0 CEAEHN CCCN[C@@H](Cc1cc(C)ccc1C)CS(C)(=O)=O ZINC000052789229 520014106 /nfs/dbraw/zinc/01/41/06/520014106.db2.gz MZAXCDIJUOKQIE-HNNXBMFYSA-N 0 3 283.437 2.259 10 0 CEAEHN CCNCc1cnc(Cc2ccc(OC)c(OC)c2)nc1 ZINC000054855634 520015208 /nfs/dbraw/zinc/01/52/08/520015208.db2.gz GTOUMUAUOWDTKF-UHFFFAOYSA-N 0 3 287.363 2.194 10 0 CEAEHN CCNCc1cnc(Cc2ccccc2OC)nc1 ZINC000054855692 520015515 /nfs/dbraw/zinc/01/55/15/520015515.db2.gz ZAHLHSGGQSFWAT-UHFFFAOYSA-N 0 3 257.337 2.186 10 0 CEAEHN CCCN[C@@H]1CCN(c2ccc(OC)cc2C)C1=O ZINC000061567984 520024171 /nfs/dbraw/zinc/02/41/71/520024171.db2.gz YBFCMXYYXLPLEI-CYBMUJFWSA-N 0 3 262.353 2.109 10 0 CEAEHN CCCN[C@@](CN(CC)CCC)(C(=O)OCC)C1CC1 ZINC000069098046 520052634 /nfs/dbraw/zinc/05/26/34/520052634.db2.gz COOMGSNOQBKWKY-MRXNPFEDSA-N 0 3 284.444 2.430 10 0 CEAEHN CCCN[C@@](CN1CCC(C)(C)CC1)(C(=O)OC)C1CC1 ZINC000069232019 520053314 /nfs/dbraw/zinc/05/33/14/520053314.db2.gz PGOPQLCNBBFEAO-QGZVFWFLSA-N 0 3 296.455 2.430 10 0 CEAEHN CCCN[C@@](COCC1CCCCC1)(C(N)=O)C1CC1 ZINC000069198421 520054688 /nfs/dbraw/zinc/05/46/88/520054688.db2.gz KNIKDYVMPAJANV-MRXNPFEDSA-N 0 3 282.428 2.217 10 0 CEAEHN CCCN[C@@](COc1ccc(C)cc1C)(C(N)=O)C1CC1 ZINC000069196983 520056686 /nfs/dbraw/zinc/05/66/86/520056686.db2.gz FVWWVUSZARVIIT-QGZVFWFLSA-N 0 3 290.407 2.316 10 0 CEAEHN CCCN[C@H](C(N)=O)c1ccc(OCCC)cc1 ZINC000052920239 520062430 /nfs/dbraw/zinc/06/24/30/520062430.db2.gz BPRDAGYFZKCWRB-ZDUSSCGKSA-N 0 3 250.342 2.001 10 0 CEAEHN CCCN[C@H](C)c1c(F)cccc1N1CC[C@H](O)C1 ZINC000061710659 520063991 /nfs/dbraw/zinc/06/39/91/520063991.db2.gz FZSJQBIURWONRA-NEPJUHHUSA-N 0 3 266.360 2.457 10 0 CEAEHN CCCN[C@H](CCOc1ccc(OCCC)cc1)C(N)=O ZINC000062594352 520078374 /nfs/dbraw/zinc/07/83/74/520078374.db2.gz YBJLXHPFXYSCMR-OAHLLOKOSA-N 0 3 294.395 2.098 10 0 CEAEHN CCN[C@@H](C)c1ccccc1OCCC(=O)OC ZINC000069317076 520078661 /nfs/dbraw/zinc/07/86/61/520078661.db2.gz BGZJDMNBJYLMRA-NSHDSACASA-N 0 3 251.326 2.299 10 0 CEAEHN CCN[C@@H](Cn1nc(C)ccc1=O)c1ccc(C)cc1 ZINC000061810299 520107279 /nfs/dbraw/zinc/10/72/79/520107279.db2.gz MLMABRGLBJKLHX-HNNXBMFYSA-N 0 3 271.364 2.211 10 0 CEAEHN CCCN[C@](CN1CCCCC1)(C(=O)OCC)C1CC1 ZINC000069095480 520121305 /nfs/dbraw/zinc/12/13/05/520121305.db2.gz OPNAQAVKFZDEAS-INIZCTEOSA-N 0 3 282.428 2.184 10 0 CEAEHN CCCN[C@](COc1cccc(C)c1)(C(N)=O)C1CC1 ZINC000069197411 520124366 /nfs/dbraw/zinc/12/43/66/520124366.db2.gz QIDJCFRPXBPLTJ-INIZCTEOSA-N 0 3 276.380 2.008 10 0 CEAEHN CCN[C@@](C)(C[C@@H](C)Oc1ccc(C)cc1C)C(N)=O ZINC000068655178 520143038 /nfs/dbraw/zinc/14/30/38/520143038.db2.gz VEPYQGVYFREOEV-CJNGLKHVSA-N 0 3 278.396 2.314 10 0 CEAEHN CCN[C@@](CN(C)C(C)(C)CC)(C(N)=O)c1ccccc1 ZINC000069446806 520147748 /nfs/dbraw/zinc/14/77/48/520147748.db2.gz YBRNIAZWRRAFIR-QGZVFWFLSA-N 0 3 291.439 2.097 10 0 CEAEHN CCN[C@H](CCSc1cc(C)ccc1C)C(N)=O ZINC000062600235 520194279 /nfs/dbraw/zinc/19/42/79/520194279.db2.gz XBTUAGGJSGYBDN-GFCCVEGCSA-N 0 3 266.410 2.249 10 0 CEAEHN CCN[C@H](c1cc(OC)c(OC)cc1C)[C@@H]1COCCO1 ZINC000055300914 520206331 /nfs/dbraw/zinc/20/63/31/520206331.db2.gz SHLSKPXPAUPKJR-JKSUJKDBSA-N 0 3 295.379 2.078 10 0 CEAEHN CCN[C@H](c1cc(C)ccc1OCC)[C@H]1COCCO1 ZINC000055301434 520206650 /nfs/dbraw/zinc/20/66/50/520206650.db2.gz RLEFWSXZMKGCRC-HZPDHXFCSA-N 0 3 279.380 2.460 10 0 CEAEHN CCN[C@H](c1ccc(F)cc1F)[C@@H]1COCCO1 ZINC000055300068 520207797 /nfs/dbraw/zinc/20/77/97/520207797.db2.gz XZEIUFBPHLCJJP-QWHCGFSZSA-N 0 3 257.280 2.031 10 0 CEAEHN CCN[C@H](c1ccc(Cl)cc1)[C@H]1COCCO1 ZINC000055299898 520208497 /nfs/dbraw/zinc/20/84/97/520208497.db2.gz FEGVLAJPLFEMAP-CHWSQXEVSA-N 0 3 255.745 2.406 10 0 CEAEHN CCN[C@H](c1ccc(CC)s1)[C@@H]1COCCO1 ZINC000055299855 520208452 /nfs/dbraw/zinc/20/84/52/520208452.db2.gz UWYANTSKBGAFJP-AAEUAGOBSA-N 0 3 255.383 2.377 10 0 CEAEHN CCN[C@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCCCO1 ZINC000050962254 520209658 /nfs/dbraw/zinc/20/96/58/520209658.db2.gz CPTJJHCBMRGFEQ-GOEBONIOSA-N 0 3 290.363 2.237 10 0 CEAEHN CCN[C@H]1COc2cc(OCc3ccno3)ccc21 ZINC000062804654 520221060 /nfs/dbraw/zinc/22/10/60/520221060.db2.gz AHJIWWOOZGQROJ-ZDUSSCGKSA-N 0 3 260.293 2.297 10 0 CEAEHN CCN[C@H]1COc2cc(OCC(=O)OC(C)C)ccc21 ZINC000062804552 520222038 /nfs/dbraw/zinc/22/20/38/520222038.db2.gz TVAYUPZSXQDHJJ-ZDUSSCGKSA-N 0 3 279.336 2.060 10 0 CEAEHN CCN[C@](C)(C[C@@H](C)Oc1ccc(C)cc1OC)C(N)=O ZINC000068657121 520235435 /nfs/dbraw/zinc/23/54/35/520235435.db2.gz UMZZEHJUVXKWTE-MLGOLLRUSA-N 0 3 294.395 2.015 10 0 CEAEHN CCNc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000050779354 520292408 /nfs/dbraw/zinc/29/24/08/520292408.db2.gz GHTAFGDRIMOQLD-CQSZACIVSA-N 0 3 273.380 2.085 10 0 CEAEHN CCNc1cccc(C(=O)N(C)C2CCN(CC)CC2)n1 ZINC000051071842 520331836 /nfs/dbraw/zinc/33/18/36/520331836.db2.gz MSVGMZLAXUEFEL-UHFFFAOYSA-N 0 3 290.411 2.070 10 0 CEAEHN CCCCCn1nc(C)c(CNCCOC)c1C ZINC000054717643 520335820 /nfs/dbraw/zinc/33/58/20/520335820.db2.gz CZFABHHIOWFIEB-UHFFFAOYSA-N 0 3 253.390 2.426 10 0 CEAEHN CCCOc1ccc(CNCC)c(O[C@@H](CC)C(N)=O)c1 ZINC000061675896 520366366 /nfs/dbraw/zinc/36/63/66/520366366.db2.gz LVYJNBCMFMOHFB-AWEZNQCLSA-N 0 3 294.395 2.228 10 0 CEAEHN CCCOc1ccc([C@H](CN)NC(=O)OCC)cc1 ZINC000052919372 520428488 /nfs/dbraw/zinc/42/84/88/520428488.db2.gz NJHIEKKJASTVNN-ZDUSSCGKSA-N 0 3 266.341 2.221 10 0 CEAEHN CCCOc1cccc([C@@H]2[C@@H](N)CC(=O)N2C2CC2)c1 ZINC000070293941 520466247 /nfs/dbraw/zinc/46/62/47/520466247.db2.gz KMIWAQSDCYBULA-GOEBONIOSA-N 0 3 274.364 2.239 10 0 CEAEHN CCCCNC(=O)COc1ccccc1[C@H](C)N ZINC000049279633 520627087 /nfs/dbraw/zinc/62/70/87/520627087.db2.gz XTQSTSZIYLZOFL-NSHDSACASA-N 0 3 250.342 2.001 10 0 CEAEHN CCCCOC(=O)COc1ccc2c(c1)OC[C@@H]2NC ZINC000062804011 520712466 /nfs/dbraw/zinc/71/24/66/520712466.db2.gz VEFFRWLZIYIZSF-ZDUSSCGKSA-N 0 3 279.336 2.062 10 0 CEAEHN CCOc1cc2c(cc1[C@H](O)CNC1CC1)O[C@@H](C)C2 ZINC000055029087 520801880 /nfs/dbraw/zinc/80/18/80/520801880.db2.gz WSOXJOZZADYYCR-IINYFYTJSA-N 0 3 277.364 2.194 10 0 CEAEHN CCC[C@H](C)N(C)C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051090334 521032899 /nfs/dbraw/zinc/03/28/99/521032899.db2.gz QRWKEBBBJDCSDH-QMMMGPOBSA-N 0 3 270.764 2.281 10 0 CEAEHN CCOC(=O)[C@@H](N)CCN1CCC(C(C)(C)C)CC1 ZINC000062530686 521068625 /nfs/dbraw/zinc/06/86/25/521068625.db2.gz PWZSEWNYUWJMSA-ZDUSSCGKSA-N 0 3 270.417 2.025 10 0 CEAEHN CCN(CCOC)c1c(CNC(C)(C)C)c(C)nn1C ZINC000062737244 521137243 /nfs/dbraw/zinc/13/72/43/521137243.db2.gz GRKZJKFYEBIEDO-UHFFFAOYSA-N 0 3 282.432 2.089 10 0 CEAEHN CCN(CCOC)c1ncc(CNC(C)C)s1 ZINC000054908242 521141007 /nfs/dbraw/zinc/14/10/07/521141007.db2.gz GUTFIRAYANGLAF-UHFFFAOYSA-N 0 3 257.403 2.114 10 0 CEAEHN CCN(C[C@@](NC(C)C)(C(=O)OC)C1CC1)C(C)C ZINC000069097165 521234160 /nfs/dbraw/zinc/23/41/60/521234160.db2.gz CXVWCQUFTZRALF-HNNXBMFYSA-N 0 3 270.417 2.037 10 0 CEAEHN CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)OC[C@@H]2N ZINC000062803855 521334356 /nfs/dbraw/zinc/33/43/56/521334356.db2.gz HCLIVKIOZHKUGR-MFKMUULPSA-N 0 3 292.379 2.151 10 0 CEAEHN CCOc1cccc(CNC(C)(C)C)c1OCC(=O)NC ZINC000062732675 521359558 /nfs/dbraw/zinc/35/95/58/521359558.db2.gz VWOITSLCSPVWKE-UHFFFAOYSA-N 0 3 294.395 2.098 10 0 CEAEHN CCOc1cccc(CNCCOC)c1OCC(F)F ZINC000062732758 521361387 /nfs/dbraw/zinc/36/13/87/521361387.db2.gz MYLARVJECHOKHA-UHFFFAOYSA-N 0 3 289.322 2.465 10 0 CEAEHN CCN(c1nc2ccccn2c1CNCCOC)C(C)C ZINC000062735165 521506228 /nfs/dbraw/zinc/50/62/28/521506228.db2.gz UHTUBQLMGLSAPI-UHFFFAOYSA-N 0 3 290.411 2.305 10 0 CEAEHN CCCc1nc2cc(N)ccc2n1CCN(C)CCOC ZINC000061380857 521541401 /nfs/dbraw/zinc/54/14/01/521541401.db2.gz JMOXABXMHZCDOZ-UHFFFAOYSA-N 0 3 290.411 2.149 10 0 CEAEHN CCOC1CCN(Cc2cc(CN)c(C)o2)CC1 ZINC000052484005 521655801 /nfs/dbraw/zinc/65/58/01/521655801.db2.gz KMVZDDUIQWTOKP-UHFFFAOYSA-N 0 3 252.358 2.048 10 0 CEAEHN CCCN1C(=O)C[C@H](N[C@@H](C)CCCC(C)C)C1=O ZINC000049128613 521700029 /nfs/dbraw/zinc/70/00/29/521700029.db2.gz CASPHEPUETZHER-STQMWFEESA-N 0 3 268.401 2.328 10 0 CEAEHN COc1c(C)cnc(C[C@H](N)c2ccccn2)c1C ZINC000053817010 521814052 /nfs/dbraw/zinc/81/40/52/521814052.db2.gz WQDKSKUXWWGTDI-LBPRGKRZSA-N 0 3 257.337 2.345 10 0 CEAEHN CN(C)C[C@@H]1CCCN1c1nc2c(s1)C(=O)CCC2 ZINC000061655428 521844750 /nfs/dbraw/zinc/84/47/50/521844750.db2.gz YTPNEJFCFJCKFK-JTQLQIEISA-N 0 3 279.409 2.193 10 0 CEAEHN CN(C)C[C@H]1CCCN1CC(=O)c1cccc(F)c1 ZINC000061645609 521865745 /nfs/dbraw/zinc/86/57/45/521865745.db2.gz MXAJTTVRWQLVPI-CQSZACIVSA-N 0 3 264.344 2.034 10 0 CEAEHN COCC[C@H](N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000052792459 521941985 /nfs/dbraw/zinc/94/19/85/521941985.db2.gz ANXYWQANNWJPLK-LRDDRELGSA-N 0 3 290.407 2.106 10 0 CEAEHN COCC[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000052790835 521946672 /nfs/dbraw/zinc/94/66/72/521946672.db2.gz ACSXTYLPHRROFJ-JTQLQIEISA-N 0 3 276.258 2.008 10 0 CEAEHN CNCc1cc(Cl)ccc1OC[C@H](O)C(F)(F)F ZINC000068876033 522111047 /nfs/dbraw/zinc/11/10/47/522111047.db2.gz LFPHTZADHYWERR-JTQLQIEISA-N 0 3 283.677 2.361 10 0 CEAEHN CNCc1cc(Cl)cc(Cl)c1OC[C@H](O)COC ZINC000069053652 522111160 /nfs/dbraw/zinc/11/11/60/522111160.db2.gz HYIYHRPCMYEGNI-SNVBAGLBSA-N 0 3 294.178 2.099 10 0 CEAEHN CC[C@@H](C)N1CCN(Cc2cccnc2NC)CC1 ZINC000055071205 522125971 /nfs/dbraw/zinc/12/59/71/522125971.db2.gz XQRRUKUGTKBNII-CYBMUJFWSA-N 0 3 262.401 2.039 10 0 CEAEHN CNCc1ccoc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573084 522141967 /nfs/dbraw/zinc/14/19/67/522141967.db2.gz HJDXZLCUNVHDJU-KBPBESRZSA-N 0 3 264.369 2.142 10 0 CEAEHN CNCc1oc(CN(C)[C@H]2CCSC2)cc1C ZINC000052453724 522159798 /nfs/dbraw/zinc/15/97/98/522159798.db2.gz WILHUPBKHCIUNB-NSHDSACASA-N 0 3 254.399 2.245 10 0 CEAEHN CC[C@@H](C)NCC(=O)Nc1ccccc1[C@@H](C)O ZINC000049547467 522228787 /nfs/dbraw/zinc/22/87/87/522228787.db2.gz ISLBMGQMFUFLGA-GHMZBOCLSA-N 0 3 250.342 2.067 10 0 CEAEHN CC[C@@H](C)N[C@@H](C(N)=O)c1ccc2ncccc2c1 ZINC000069503203 522233025 /nfs/dbraw/zinc/23/30/25/522233025.db2.gz KTUWABCOQNARLR-QMTHXVAHSA-N 0 3 257.337 2.149 10 0 CEAEHN CN[C@@H](C)c1ccccc1OC[C@@H](O)C(F)(F)F ZINC000068876435 522336385 /nfs/dbraw/zinc/33/63/85/522336385.db2.gz NXBCEJVTUFTEHB-GZMMTYOYSA-N 0 3 263.259 2.269 10 0 CEAEHN CN[C@H](Cc1cc(C)ccc1OC)c1cnccn1 ZINC000050706845 522470380 /nfs/dbraw/zinc/47/03/80/522470380.db2.gz JQFVEJHZMKJEMX-CYBMUJFWSA-N 0 3 257.337 2.297 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CCCC2)[C@@H]1COCCO1 ZINC000055299248 522481945 /nfs/dbraw/zinc/48/19/45/522481945.db2.gz FNFNBYJBUZXFPI-JKSUJKDBSA-N 0 3 261.365 2.241 10 0 CEAEHN CN[C@H](c1ccc2c(c1)CC(C)(C)O2)[C@@H]1COCCO1 ZINC000055301486 522482462 /nfs/dbraw/zinc/48/24/62/522482462.db2.gz UWZXVLBTMLFEAY-LSDHHAIUSA-N 0 3 277.364 2.076 10 0 CEAEHN CN[C@H]1COc2cc(OCC3CCOCC3)ccc21 ZINC000062804032 522507479 /nfs/dbraw/zinc/50/74/79/522507479.db2.gz ADFBPFBKUDABLW-AWEZNQCLSA-N 0 3 263.337 2.145 10 0 CEAEHN CN[C@](CSc1cccc(Cl)c1)(C(N)=O)C1CC1 ZINC000069189495 522531962 /nfs/dbraw/zinc/53/19/62/522531962.db2.gz CRGPXQUSEUGGTA-ZDUSSCGKSA-N 0 3 284.812 2.286 10 0 CEAEHN COc1cc(F)ccc1NC(=O)CNC1CCCC1 ZINC000049569955 522602873 /nfs/dbraw/zinc/60/28/73/522602873.db2.gz KZAPVLYCQHSHKO-UHFFFAOYSA-N 0 3 266.316 2.305 10 0 CEAEHN COC1CCN(Cc2cc(CNC(C)(C)C)no2)CC1 ZINC000052455263 522705979 /nfs/dbraw/zinc/70/59/79/522705979.db2.gz ALMBCMDORWJWQK-UHFFFAOYSA-N 0 3 281.400 2.174 10 0 CEAEHN COc1cc([C@@H](O)c2cnccc2N)cc(Cl)c1OC ZINC000070320077 522912530 /nfs/dbraw/zinc/91/25/30/522912530.db2.gz RRTDSDYXFOEVLJ-CYBMUJFWSA-N 0 3 294.738 2.416 10 0 CEAEHN CC[C@@H](O)COc1ccc(Cl)cc1CNCCOC ZINC000062731041 523008848 /nfs/dbraw/zinc/00/88/48/523008848.db2.gz GEPVKHYUEXTHFE-CYBMUJFWSA-N 0 3 287.787 2.226 10 0 CEAEHN CC[C@H]1CCCCN1CC[C@H]([NH2+]C(C)C)C(=O)[O-] ZINC000062446151 523029013 /nfs/dbraw/zinc/02/90/13/523029013.db2.gz SHFPXGYKPVHRDH-STQMWFEESA-N 0 3 256.390 2.092 10 0 CEAEHN CN(C[C@H]1CCCO1)c1ccc(Cl)cc1CN ZINC000052857105 523127352 /nfs/dbraw/zinc/12/73/52/523127352.db2.gz FDESVMNMSWADLZ-GFCCVEGCSA-N 0 3 254.761 2.414 10 0 CEAEHN CN(Cc1cc(F)ccc1C(N)=S)C[C@H]1CCCOC1 ZINC000069403308 523183272 /nfs/dbraw/zinc/18/32/72/523183272.db2.gz ZNWMXNBRZNHVIO-LLVKDONJSA-N 0 3 296.411 2.318 10 0 CEAEHN CC[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631388 523223576 /nfs/dbraw/zinc/22/35/76/523223576.db2.gz VKRRITNLAGWQFA-HZSPNIEDSA-N 0 3 288.457 2.017 10 0 CEAEHN CC[C@H]1CN([C@@H](CN)c2cccc3cccnc32)CCO1 ZINC000069502483 523302138 /nfs/dbraw/zinc/30/21/38/523302138.db2.gz NMOOIWQMSSRDLM-HOCLYGCPSA-N 0 3 285.391 2.345 10 0 CEAEHN CC[C@H]1COCCN1c1ccc(F)cc1CNCCOC ZINC000062736318 523338074 /nfs/dbraw/zinc/33/80/74/523338074.db2.gz QXRAQPDYSQQXOY-HNNXBMFYSA-N 0 3 296.386 2.177 10 0 CEAEHN CC[C@H]1COCCN1c1nc(C)c(CNC2CC2)s1 ZINC000054997913 523338735 /nfs/dbraw/zinc/33/87/35/523338735.db2.gz YJRWJFYEONNXCK-LBPRGKRZSA-N 0 3 281.425 2.319 10 0 CEAEHN CN(Cc1ccoc1)[C@@H](CN)c1ccc2c(c1)OCCO2 ZINC000048909864 523475499 /nfs/dbraw/zinc/47/54/99/523475499.db2.gz BOIQTWZMDLLWOM-AWEZNQCLSA-N 0 3 288.347 2.183 10 0 CEAEHN CC[C@@H]1COCCN1[C@@H](CN)c1ccc(OC)c(C)c1 ZINC000050596697 523502337 /nfs/dbraw/zinc/50/23/37/523502337.db2.gz IIVQKEGQUHFXTK-CABCVRRESA-N 0 3 278.396 2.114 10 0 CEAEHN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C)c(CNC)o1 ZINC000052571293 523508072 /nfs/dbraw/zinc/50/80/72/523508072.db2.gz SOBJLPNAAOGTKZ-QWHCGFSZSA-N 0 3 266.385 2.307 10 0 CEAEHN COCCN(Cc1occc1CNC(C)C)[C@H](C)COC ZINC000052572319 523778716 /nfs/dbraw/zinc/77/87/16/523778716.db2.gz KYXIEWIZIFAMBR-CQSZACIVSA-N 0 3 298.427 2.261 10 0 CEAEHN CN1CCC(Nc2ccc(Cl)cc2C(N)=S)CC1 ZINC000052858195 523779319 /nfs/dbraw/zinc/77/93/19/523779319.db2.gz XWTVXKBDQKZJCB-UHFFFAOYSA-N 0 3 283.828 2.480 10 0 CEAEHN CN1CCC(O)(Cc2c(F)cccc2Cl)CC1 ZINC000049346371 523781673 /nfs/dbraw/zinc/78/16/73/523781673.db2.gz SMDYVPOVFGLBHD-UHFFFAOYSA-N 0 3 257.736 2.478 10 0 CEAEHN COC(=O)[C@@](CN(C)CCC(C)C)(NC(C)C)C1CC1 ZINC000069183755 523822964 /nfs/dbraw/zinc/82/29/64/523822964.db2.gz TYJTUYJGYDRNRP-INIZCTEOSA-N 0 3 284.444 2.284 10 0 CEAEHN CCc1ccc(-c2cc(N3CCNCC3)n[nH]2)cc1 ZINC000062669857 523854288 /nfs/dbraw/zinc/85/42/88/523854288.db2.gz ZSOJOGPNOUMIKA-UHFFFAOYSA-N 0 3 256.353 2.049 10 0 CEAEHN COCCNCc1c(N2CCC[C@H]2C)nc2ccccn21 ZINC000062736504 523948419 /nfs/dbraw/zinc/94/84/19/523948419.db2.gz AEOSDRRAJUQRTM-CYBMUJFWSA-N 0 3 288.395 2.059 10 0 CEAEHN COCCNCc1cc(F)ccc1N(CCCO)C(C)C ZINC000062737649 523949887 /nfs/dbraw/zinc/94/98/87/523949887.db2.gz YZCZLUKZNRTQFH-UHFFFAOYSA-N 0 3 298.402 2.159 10 0 CEAEHN COCCNCc1ccc(OCCOC)c(Cl)c1 ZINC000062730455 523952544 /nfs/dbraw/zinc/95/25/44/523952544.db2.gz IKFJJAKWHUFWGM-UHFFFAOYSA-N 0 3 273.760 2.101 10 0 CEAEHN COCCNCc1ccc(OCC(F)F)c(OC)c1 ZINC000062731911 523953163 /nfs/dbraw/zinc/95/31/63/523953163.db2.gz KNQHAPQSEMWNIJ-UHFFFAOYSA-N 0 3 275.295 2.075 10 0 CEAEHN COCCNCc1sc(N2CC[C@H](C)C2)nc1C ZINC000054998431 523958351 /nfs/dbraw/zinc/95/83/51/523958351.db2.gz VHPHPPYJKFCALX-JTQLQIEISA-N 0 3 269.414 2.034 10 0 CEAEHN CN1c2ccc([C@H](N)c3ccoc3)cc2CCC1=O ZINC000062806377 524032964 /nfs/dbraw/zinc/03/29/64/524032964.db2.gz PJFVFBYLVIBVPR-HNNXBMFYSA-N 0 3 256.305 2.237 10 0 CEAEHN Cc1ccc(C)c(CC(=O)N2[C@@H](C)CNC[C@@H]2C)c1 ZINC000069133229 524091303 /nfs/dbraw/zinc/09/13/03/524091303.db2.gz UHEPBNCXWNCHMU-KBPBESRZSA-N 0 3 260.381 2.055 10 0 CEAEHN COc1cccc([C@@H](O)[C@H](N)c2ccccc2)c1OC ZINC000054681685 524104789 /nfs/dbraw/zinc/10/47/89/524104789.db2.gz PVPDCKSZNVERNO-HUUCEWRRSA-N 0 3 273.332 2.437 10 0 CEAEHN Cc1ccc(C)c(OC[C@@](NC2CC2)(C(N)=O)C2CC2)c1 ZINC000069197291 524183204 /nfs/dbraw/zinc/18/32/04/524183204.db2.gz MPEXTIGYZUIDFM-KRWDZBQOSA-N 0 3 288.391 2.068 10 0 CEAEHN C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]c(=NN)c(Cl)c1 ZINC000051093481 524188362 /nfs/dbraw/zinc/18/83/62/524188362.db2.gz LNLCENHZWCOMCN-IUCAKERBSA-N 0 3 282.775 2.424 10 0 CEAEHN C[C@H]1CC[C@@H](C(=O)N(CCN(C)C)c2ccccc2)O1 ZINC000151081478 524328700 /nfs/dbraw/zinc/32/87/00/524328700.db2.gz HNESNWQXAYMCOI-ZFWWWQNUSA-N 0 3 276.380 2.149 10 0 CEAEHN COc1ccccc1O[C@@H](C)C[C@@](C)(NC(C)C)C(N)=O ZINC000068656623 524690545 /nfs/dbraw/zinc/69/05/45/524690545.db2.gz ACVYOLACYONBGH-BLLLJJGKSA-N 0 3 294.395 2.095 10 0 CEAEHN C[C@@H]1CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C[C@@H]1C ZINC000068584348 524695881 /nfs/dbraw/zinc/69/58/81/524695881.db2.gz HJGKAPSRVGIPBJ-VRKREXBASA-N 0 3 274.408 2.497 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1nccc2ccccc21 ZINC000069132927 524699137 /nfs/dbraw/zinc/69/91/37/524699137.db2.gz DJSFWFBKRGQVSA-RYUDHWBXSA-N 0 3 269.348 2.057 10 0 CEAEHN C[C@H]1CNC[C@H](C)N1C(=O)c1ccc(F)cc1Cl ZINC000069133202 524699369 /nfs/dbraw/zinc/69/93/69/524699369.db2.gz MTOVZFXVTKQKJL-IUCAKERBSA-N 0 3 270.735 2.302 10 0 CEAEHN Cc1cccc(OC[C@@](NC2CC2)(C(N)=O)C2CC2)c1C ZINC000069197079 524758245 /nfs/dbraw/zinc/75/82/45/524758245.db2.gz HBYGESDCUHXKGE-KRWDZBQOSA-N 0 3 288.391 2.068 10 0 CEAEHN C[C@H]1C[C@@H]1NCC(=O)Nc1ccccc1Br ZINC000052287696 524852564 /nfs/dbraw/zinc/85/25/64/524852564.db2.gz JWERSYKIOWUYKJ-KWQFWETISA-N 0 3 283.169 2.386 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000068618101 524863569 /nfs/dbraw/zinc/86/35/69/524863569.db2.gz HIKYZYWSMAGSAF-ZWUHOBOKSA-N 0 3 282.428 2.338 10 0 CEAEHN C[C@@H](C[C@](C)(NC1CC1)C(=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000068618101 524863580 /nfs/dbraw/zinc/86/35/80/524863580.db2.gz HIKYZYWSMAGSAF-ZWUHOBOKSA-N 0 3 282.428 2.338 10 0 CEAEHN C[C@@H]1CN(Cc2cc(CNC(C)(C)C)co2)CCO1 ZINC000052382593 524984803 /nfs/dbraw/zinc/98/48/03/524984803.db2.gz ONHIKQSARUFERI-GFCCVEGCSA-N 0 3 266.385 2.388 10 0 CEAEHN C[C@@H](N)c1c(F)cccc1Sc1n[nH]c(=O)n1C1CC1 ZINC000061595884 525024140 /nfs/dbraw/zinc/02/41/40/525024140.db2.gz UANDFTYWSVRERH-SSDOTTSWSA-N 0 3 294.355 2.216 10 0 CEAEHN C[C@@H]1CN(Cc2occc2CNC2CC2)C[C@H](C)O1 ZINC000052380299 525039023 /nfs/dbraw/zinc/03/90/23/525039023.db2.gz FYLVBQBNVGXILB-TXEJJXNPSA-N 0 3 264.369 2.141 10 0 CEAEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc2c(s1)CCC2 ZINC000069133373 525101969 /nfs/dbraw/zinc/10/19/69/525101969.db2.gz LIVLCDYQBRBDLQ-AOOOYVTPSA-N 0 3 264.394 2.059 10 0 CEAEHN Cc1ccc(NC(=O)c2ccnc(NN)c2)cc1C ZINC000051093427 525249554 /nfs/dbraw/zinc/24/95/54/525249554.db2.gz OONALUPEBWAJRA-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN Cc1ccc(NC(=O)c2cc[nH]c(=NN)c2)cc1C ZINC000051093427 525249557 /nfs/dbraw/zinc/24/95/57/525249557.db2.gz OONALUPEBWAJRA-UHFFFAOYSA-N 0 3 256.309 2.236 10 0 CEAEHN Cc1ccc(NS(=O)(=O)[C@@H]2CCCNC2)cc1Cl ZINC000049632388 525296506 /nfs/dbraw/zinc/29/65/06/525296506.db2.gz ZAAPQQZZDXSASQ-LLVKDONJSA-N 0 3 288.800 2.142 10 0 CEAEHN Cc1ccccc1OC[C@](NC(C)C)(C(N)=O)C1CC1 ZINC000069197464 525315518 /nfs/dbraw/zinc/31/55/18/525315518.db2.gz IXYBCAXCVJKVGV-MRXNPFEDSA-N 0 3 276.380 2.006 10 0 CEAEHN COc1ccc([C@H](CNC(=O)C=C(C)C)N(C)C)cc1 ZINC000068194307 525355532 /nfs/dbraw/zinc/35/55/32/525355532.db2.gz LLUIICWOEHNLDX-HNNXBMFYSA-N 0 3 276.380 2.380 10 0 CEAEHN COc1ccc([C@H](N)C[C@H]2CCCO2)c(OC)c1 ZINC000055232823 525364470 /nfs/dbraw/zinc/36/44/70/525364470.db2.gz BYOBOQMKNBESOR-DGCLKSJQSA-N 0 3 251.326 2.273 10 0 CEAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)Nc1cccnc1Cl ZINC000183141101 525524380 /nfs/dbraw/zinc/52/43/80/525524380.db2.gz TXJQFTZGCYKBBK-NHCYSSNCSA-N 0 3 297.786 2.219 10 0 CEAEHN C[C@H](c1ccncc1)N(C)C(=O)[C@H](CN)c1ccccc1 ZINC000061612218 526159294 /nfs/dbraw/zinc/15/92/94/526159294.db2.gz YBHYOIOHQMTMTD-CZUORRHYSA-N 0 3 283.375 2.344 10 0 CEAEHN O=C(NCCN1CCCCC1)[C@@H]1CCc2ccccc2N1 ZINC000049575582 526308510 /nfs/dbraw/zinc/30/85/10/526308510.db2.gz ZVQLERAQRHKYTJ-INIZCTEOSA-N 0 3 287.407 2.015 10 0 CEAEHN c1ccc(OCc2ncc(CNC3CC3)cn2)cc1 ZINC000054856304 526486638 /nfs/dbraw/zinc/48/66/38/526486638.db2.gz NSDQBMLQLXZTOK-UHFFFAOYSA-N 0 3 255.321 2.308 10 0 CEAEHN O=C(CCN[C@@H](CO)c1ccccc1)OCc1ccccc1 ZINC000183646206 526513840 /nfs/dbraw/zinc/51/38/40/526513840.db2.gz HJGCAYJCQXFLFM-KRWDZBQOSA-N 0 3 299.370 2.443 10 0 CEAEHN Cc1noc(C)c1COc1ccc2c(c1)OC[C@@H]2N ZINC000062803529 526521244 /nfs/dbraw/zinc/52/12/44/526521244.db2.gz YYUULOYKUGJNCC-ZDUSSCGKSA-N 0 3 260.293 2.263 10 0 CEAEHN Cc1noc(C)c1Cn1ccnc1CNC(C)(C)C ZINC000051015362 526538969 /nfs/dbraw/zinc/53/89/69/526538969.db2.gz VMMSRLATLRRMNS-UHFFFAOYSA-N 0 3 262.357 2.424 10 0 CEAEHN O=C(c1ccc2ncsc2c1)N1CCN2CCC[C@H]2C1 ZINC000049515910 526739935 /nfs/dbraw/zinc/73/99/35/526739935.db2.gz TYCXBUZNEIBIPA-LBPRGKRZSA-N 0 3 287.388 2.217 10 0 CEAEHN Cc1oc(CN)cc1CN1CCN(c2ccccc2)CC1 ZINC000052417317 526768506 /nfs/dbraw/zinc/76/85/06/526768506.db2.gz GWMRTRJFKHETQG-UHFFFAOYSA-N 0 3 285.391 2.369 10 0 CEAEHN N=C(N)c1ncccc1Cn1ccnc1-c1ccccc1 ZINC000061658460 526825040 /nfs/dbraw/zinc/82/50/40/526825040.db2.gz BVCGQVVHFDOXLF-UHFFFAOYSA-N 0 3 277.331 2.277 10 0 CEAEHN Cn1c(Cl)cnc1COc1ccc2c(c1)OC[C@@H]2N ZINC000062803579 527070395 /nfs/dbraw/zinc/07/03/95/527070395.db2.gz VOUXAUOUTALXQM-JTQLQIEISA-N 0 3 279.727 2.045 10 0 CEAEHN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)CNCC2 ZINC000069052879 527109531 /nfs/dbraw/zinc/10/95/31/527109531.db2.gz VPSVRRHUPAMHQS-HUUCEWRRSA-N 0 3 284.359 2.012 10 0 CEAEHN O=S(=O)(C[C@H]1CCCCN1)Nc1ccc2c(c1)CCC2 ZINC000049630725 527184750 /nfs/dbraw/zinc/18/47/50/527184750.db2.gz ZKACFCHEUQETCE-OAHLLOKOSA-N 0 3 294.420 2.059 10 0 CEAEHN NCc1ccc2cc(I)ccc2n1 ZINC000062672380 527259528 /nfs/dbraw/zinc/25/95/28/527259528.db2.gz HDSMWKQDUAAURJ-UHFFFAOYSA-N 0 3 284.100 2.298 10 0 CEAEHN NCc1cn(Cc2coc(-c3ccc(Cl)cc3)n2)nn1 ZINC000050224359 527262289 /nfs/dbraw/zinc/26/22/89/527262289.db2.gz NYGVCXAVBWSOGE-UHFFFAOYSA-N 0 3 289.726 2.094 10 0 CEAEHN NCc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000054995207 527269109 /nfs/dbraw/zinc/26/91/09/527269109.db2.gz URFORPHCCMAXKE-UHFFFAOYSA-N 0 3 275.377 2.105 10 0 CEAEHN Cn1cc([C@@H](CN)N2CCC3(CCCCC3)CC2)cn1 ZINC000061818016 527292703 /nfs/dbraw/zinc/29/27/03/527292703.db2.gz MWGHQWQDQKWKTC-OAHLLOKOSA-N 0 3 276.428 2.466 10 0 CEAEHN N[C@@H](Cc1cccc(Br)c1)c1cncnc1 ZINC000052887039 527336211 /nfs/dbraw/zinc/33/62/11/527336211.db2.gz BNUNIUQAJAESTP-LBPRGKRZSA-N 0 3 278.153 2.482 10 0 CEAEHN N[C@@H](c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054681924 527338508 /nfs/dbraw/zinc/33/85/08/527338508.db2.gz BWRHOZKZKTVQEU-GJZGRUSLSA-N 0 3 257.289 2.149 10 0 CEAEHN N[C@@H](c1nc2cc(Br)cnc2[nH]1)C1CC1 ZINC000054502153 527340452 /nfs/dbraw/zinc/34/04/52/527340452.db2.gz MYVMASZGADDXCI-MRVPVSSYSA-N 0 3 267.130 2.130 10 0 CEAEHN [NH3+][C@@H](c1nc2cc(Br)cnc2[n-]1)C1CC1 ZINC000054502153 527340456 /nfs/dbraw/zinc/34/04/56/527340456.db2.gz MYVMASZGADDXCI-MRVPVSSYSA-N 0 3 267.130 2.130 10 0 CEAEHN N[C@@H]1c2ccccc2OC[C@H]1N1Cc2ccccc2C1 ZINC000050910911 527379232 /nfs/dbraw/zinc/37/92/32/527379232.db2.gz KOCPMKMAGYMXMF-NVXWUHKLSA-N 0 3 266.344 2.463 10 0 CEAEHN N[C@H](c1ccccc1)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000054681934 527391961 /nfs/dbraw/zinc/39/19/61/527391961.db2.gz QNPDAQVEUMGMTF-HZPDHXFCSA-N 0 3 271.316 2.191 10 0 CEAEHN N[C@H](c1nc2c(s1)CCCC2)C1CCOCC1 ZINC000052179411 527392716 /nfs/dbraw/zinc/39/27/16/527392716.db2.gz FXXDNNHAKAABRA-LBPRGKRZSA-N 0 3 252.383 2.448 10 0 CEAEHN Nc1ccc(Cl)c(CN2CCN(C3CCCC3)CC2)n1 ZINC000061639115 527486157 /nfs/dbraw/zinc/48/61/57/527486157.db2.gz KYQLUGGXBZFRKS-UHFFFAOYSA-N 0 3 294.830 2.377 10 0 CEAEHN Nc1ncccc1[C@H](N)c1ccc2ncccc2c1 ZINC000070321435 527571172 /nfs/dbraw/zinc/57/11/72/527571172.db2.gz JAGXSZAWTQUXLL-CQSZACIVSA-N 0 3 250.305 2.260 10 0 CEAEHN Cn1nccc1[C@@H](N)Cc1cccc(Br)c1 ZINC000069020631 527623449 /nfs/dbraw/zinc/62/34/49/527623449.db2.gz BNBVXWYEMAUQFH-NSHDSACASA-N 0 3 280.169 2.425 10 0 CEAEHN Cc1nn(C)c(N2CCC[C@@H]2C)c1CNCC(C)C ZINC000062736470 527676047 /nfs/dbraw/zinc/67/60/47/527676047.db2.gz OXBSUYGKRNCVLG-LBPRGKRZSA-N 0 3 264.417 2.463 10 0 CEAEHN CCC(O)(CC)CN1CCN(c2ccc(F)cc2)CC1 ZINC000165199160 528966393 /nfs/dbraw/zinc/96/63/93/528966393.db2.gz INGZMAPDGSGVJI-UHFFFAOYSA-N 0 3 280.387 2.499 10 0 CEAEHN CCN1CCC[C@@H]1CN(C)Cc1nc(C(C)C)no1 ZINC000175359963 529069907 /nfs/dbraw/zinc/06/99/07/529069907.db2.gz BIQMUGVHYSVKPV-GFCCVEGCSA-N 0 3 266.389 2.109 10 0 CEAEHN CCNCc1ccc(N2CCC[C@H]3CCC[C@@H]32)nn1 ZINC000087783478 535478698 /nfs/dbraw/zinc/47/86/98/535478698.db2.gz LQMLFDQSKYSZKK-OCCSQVGLSA-N 0 3 260.385 2.355 10 0 CEAEHN C[C@H]1CC(=O)[C@]23CCCN4CCC[C@]2(C4)C(=O)C[C@@H]3C1 ZINC000004098393 560122848 /nfs/dbraw/zinc/12/28/48/560122848.db2.gz SJIMDGIDDDGXLI-OSRSDYAFSA-N 0 3 275.392 2.437 10 0 biogenic,in-vitro CEAEHN c1ncc(C2CC2)cc1SC[C@@H]1CNCCO1 ZINC000757215642 574513138 /nfs/dbraw/zinc/51/31/38/574513138.db2.gz WNJAIKVSPLHTER-LBPRGKRZSA-N 0 3 250.367 2.040 10 0 CEAEHN C[C@@H](NC1CCS(=O)(=O)CC1)c1ccc(F)c(F)c1 ZINC000036331362 622668121 /nfs/dbraw/zinc/66/81/21/622668121.db2.gz MFZNDCBOCBVTAK-SECBINFHSA-N 0 3 289.347 2.193 10 0 CEAEHN Cc1ccnc(NC[C@H]2CCN(c3nc(C)cc(N)n3)C2)c1 ZINC000892219382 624428449 /nfs/dbraw/zinc/42/84/49/624428449.db2.gz OQFQENQALVYLPV-CYBMUJFWSA-N 0 3 298.394 2.009 10 0 CEAEHN COc1ccc([C@@H](C)C(=O)NNc2ccncc2)cc1 ZINC000180462505 628081167 /nfs/dbraw/zinc/08/11/67/628081167.db2.gz NYQHEILYXVWLGZ-LLVKDONJSA-N 0 3 271.320 2.337 10 0 CEAEHN CCOCCN1CCN(C[C@@H]2CCC=CO2)C[C@H]1CC ZINC000193900844 628491515 /nfs/dbraw/zinc/49/15/15/628491515.db2.gz UIKQJBWLSLOAPP-CVEARBPZSA-N 0 3 282.428 2.112 10 0 CEAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H](C)CCC(C)C)C1 ZINC000263513823 631456646 /nfs/dbraw/zinc/45/66/46/631456646.db2.gz OBUQMKAZIBBAJL-IYXRBSQSSA-N 0 3 270.417 2.338 10 0 CEAEHN COc1cc(C)ccc1-c1noc([C@@H]2CCCN2)n1 ZINC000211873731 651887875 /nfs/dbraw/zinc/88/78/75/651887875.db2.gz BIJHURJWVSHWRV-NSHDSACASA-N 0 3 259.309 2.478 10 0 CEAEHN COc1cc(-c2noc([C@H]3CCCN3)n2)ccc1F ZINC000211989425 651929794 /nfs/dbraw/zinc/92/97/94/651929794.db2.gz WYJBWEGUTIOGKA-SNVBAGLBSA-N 0 3 263.272 2.309 10 0 CEAEHN